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 2efu_1_D 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 GYMHAAXXXX XXXXXXXXAG 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 0.000 174.614 174.600 0.024 0.000 1.055 2 S CA 0.000 58.216 58.200 0.026 0.000 1.107 2 S CB 0.000 63.218 63.200 0.030 0.000 0.593 3 D N 1.343 121.750 120.400 0.011 0.000 2.178 3 D HA -0.036 4.604 4.640 -0.000 0.000 0.201 3 D C 1.781 178.078 176.300 -0.004 0.000 0.980 3 D CA 1.212 55.214 54.000 0.003 0.000 0.842 3 D CB -0.118 40.680 40.800 -0.003 0.000 0.948 3 D HN 0.374 nan 8.370 nan 0.000 0.472 4 L N 1.047 122.267 121.223 -0.004 0.000 2.056 4 L HA -0.103 4.237 4.340 -0.000 0.000 0.207 4 L C 1.446 178.303 176.870 -0.023 0.000 1.078 4 L CA 1.520 56.348 54.840 -0.021 0.000 0.749 4 L CB -0.568 41.481 42.059 -0.016 0.000 0.901 4 L HN -0.100 nan 8.230 nan 0.000 0.433 5 N N 0.295 119.020 118.700 0.042 0.000 2.104 5 N HA -0.191 4.549 4.740 -0.000 0.000 0.190 5 N C 1.550 177.105 175.510 0.074 0.000 1.024 5 N CA 1.963 55.092 53.050 0.130 0.000 0.853 5 N CB -0.720 37.881 38.487 0.191 0.000 1.008 5 N HN 0.583 nan 8.380 nan 0.000 0.424 6 N N 0.533 119.255 118.700 0.036 0.000 2.216 6 N HA 0.035 4.775 4.740 -0.000 0.000 0.183 6 N C 1.775 177.270 175.510 -0.025 0.000 1.017 6 N CA 0.848 53.908 53.050 0.017 0.000 0.861 6 N CB -0.074 38.422 38.487 0.015 0.000 0.986 6 N HN 0.190 nan 8.380 nan 0.000 0.428 7 A N 1.354 124.147 122.820 -0.045 0.000 1.908 7 A HA -0.134 4.185 4.320 -0.000 0.000 0.218 7 A C 2.124 179.638 177.584 -0.117 0.000 1.181 7 A CA 1.149 53.145 52.037 -0.067 0.000 0.627 7 A CB -0.681 18.281 19.000 -0.064 0.000 0.818 7 A HN 0.190 nan 8.150 nan 0.000 0.445 8 I N -1.155 119.300 120.570 -0.192 0.000 2.163 8 I HA -0.264 3.906 4.170 -0.000 0.000 0.240 8 I C 2.755 178.691 176.117 -0.302 0.000 1.081 8 I CA 1.718 62.810 61.300 -0.346 0.000 1.353 8 I CB -0.324 37.275 38.000 -0.669 0.000 1.054 8 I HN 0.367 nan 8.210 nan 0.000 0.407 9 Q N 1.300 120.980 119.800 -0.200 0.000 2.077 9 Q HA -0.177 4.163 4.340 -0.000 0.000 0.206 9 Q C 2.125 178.104 176.000 -0.034 0.000 0.989 9 Q CA 2.339 58.121 55.803 -0.036 0.000 0.853 9 Q CB -0.889 27.895 28.738 0.078 0.000 0.907 9 Q HN 0.500 nan 8.270 nan 0.000 0.418 10 G N 0.340 109.116 108.800 -0.039 0.000 2.446 10 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.217 10 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.217 10 G C 1.476 176.358 174.900 -0.030 0.000 1.168 10 G CA 1.064 46.147 45.100 -0.027 0.000 0.771 10 G HN 0.438 nan 8.290 nan 0.000 0.551 11 I N 0.466 121.000 120.570 -0.060 0.000 2.194 11 I HA -0.192 3.978 4.170 -0.000 0.000 0.246 11 I C 2.730 178.832 176.117 -0.026 0.000 1.093 11 I CA 0.867 62.133 61.300 -0.058 0.000 1.355 11 I CB -0.177 37.758 38.000 -0.109 0.000 1.046 11 I HN 0.150 nan 8.210 nan 0.000 0.413 12 L N -0.129 121.069 121.223 -0.042 0.000 2.056 12 L HA -0.198 4.142 4.340 -0.000 0.000 0.207 12 L C 2.187 179.089 176.870 0.054 0.000 1.078 12 L CA 1.141 55.986 54.840 0.009 0.000 0.749 12 L CB -0.840 41.212 42.059 -0.010 0.000 0.901 12 L HN 0.254 nan 8.230 nan 0.000 0.433 13 D N 0.284 120.698 120.400 0.023 0.000 2.123 13 D HA -0.192 4.448 4.640 -0.000 0.000 0.196 13 D C 1.758 178.077 176.300 0.032 0.000 0.992 13 D CA 1.284 55.294 54.000 0.016 0.000 0.833 13 D CB -0.270 40.531 40.800 0.003 0.000 0.954 13 D HN 0.278 nan 8.370 nan 0.000 0.455 14 D N -0.573 119.851 120.400 0.041 0.000 2.144 14 D HA -0.146 4.494 4.640 -0.000 0.000 0.199 14 D C 1.932 178.292 176.300 0.099 0.000 0.984 14 D CA 0.922 54.951 54.000 0.049 0.000 0.834 14 D CB -0.298 40.524 40.800 0.037 0.000 0.955 14 D HN 0.336 nan 8.370 nan 0.000 0.465 15 H N 0.170 119.256 119.070 0.028 0.000 2.357 15 H HA 0.003 4.558 4.556 -0.000 0.000 0.301 15 H C 1.985 177.376 175.328 0.105 0.000 1.082 15 H CA 1.024 57.121 56.048 0.083 0.000 1.342 15 H CB -0.193 29.601 29.762 0.052 0.000 1.389 15 H HN -0.108 nan 8.280 nan 0.000 0.511 16 V N 0.597 120.549 119.914 0.065 0.000 2.343 16 V HA -0.243 3.877 4.120 -0.000 0.000 0.247 16 V C 2.665 178.761 176.094 0.002 0.000 1.051 16 V CA 1.571 63.871 62.300 0.001 0.000 1.036 16 V CB -1.193 30.621 31.823 -0.016 0.000 0.654 16 V HN 0.666 nan 8.190 nan 0.000 0.451 17 A N -0.123 122.702 122.820 0.008 0.000 2.024 17 A HA -0.232 4.088 4.320 -0.000 0.000 0.220 17 A C 2.222 179.806 177.584 0.000 0.000 1.164 17 A CA 1.553 53.592 52.037 0.004 0.000 0.643 17 A CB -0.518 18.483 19.000 0.001 0.000 0.806 17 A HN 0.545 nan 8.150 nan 0.000 0.451 18 R N -1.431 119.066 120.500 -0.006 0.000 2.328 18 R HA 0.168 4.508 4.340 -0.000 0.000 0.200 18 R C 1.266 177.609 176.300 0.073 0.000 0.983 18 R CA 0.541 56.614 56.100 -0.046 0.000 1.062 18 R CB -0.156 30.058 30.300 -0.142 0.000 0.956 18 R HN 0.705 nan 8.270 nan 0.000 0.479 19 G N 0.127 109.004 108.800 0.128 0.000 2.201 19 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.212 19 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.212 19 G C 0.201 175.284 174.900 0.304 0.000 0.994 19 G CA -0.277 44.970 45.100 0.246 0.000 0.644 19 G HN 0.124 nan 8.290 nan 0.000 0.508 20 V N 1.893 121.920 119.914 0.189 0.000 2.529 20 V HA 0.180 4.300 4.120 -0.000 0.000 0.292 20 V C 2.104 178.248 176.094 0.083 0.000 1.028 20 V CA 0.521 62.873 62.300 0.088 0.000 1.074 20 V CB 1.424 33.142 31.823 -0.176 0.000 0.958 20 V HN 0.200 nan 8.190 nan 0.000 0.481 21 V N 4.455 124.443 119.914 0.123 0.000 2.295 21 V HA 0.067 4.187 4.120 -0.000 0.000 0.246 21 V C 1.144 177.267 176.094 0.047 0.000 1.049 21 V CA 2.044 64.370 62.300 0.045 0.000 1.024 21 V CB -0.779 31.022 31.823 -0.036 0.000 0.648 21 V HN 1.052 nan 8.190 nan 0.000 0.447 22 G N -1.987 106.873 108.800 0.100 0.000 2.601 22 G HA2 0.538 4.498 3.960 -0.000 0.000 0.291 22 G HA3 0.538 4.498 3.960 -0.000 0.000 0.291 22 G C -2.154 172.824 174.900 0.129 0.000 1.456 22 G CA 0.080 45.230 45.100 0.082 0.000 0.804 22 G HN 0.160 nan 8.290 nan 0.000 0.499 23 V N -0.354 119.624 119.914 0.107 0.000 2.851 23 V HA 0.835 4.955 4.120 -0.000 0.000 0.307 23 V C -1.023 175.117 176.094 0.076 0.000 1.129 23 V CA -0.457 61.890 62.300 0.078 0.000 0.932 23 V CB 2.143 34.016 31.823 0.084 0.000 1.024 23 V HN 1.190 nan 8.190 nan 0.000 0.426 24 S N 5.632 121.333 115.700 0.002 0.000 2.561 24 S HA 0.802 5.272 4.470 -0.000 0.000 0.303 24 S C -1.272 173.300 174.600 -0.046 0.000 1.110 24 S CA -0.469 57.751 58.200 0.033 0.000 1.034 24 S CB 1.296 64.583 63.200 0.145 0.000 1.010 24 S HN 0.942 nan 8.310 nan 0.000 0.482 25 L N 4.794 126.041 121.223 0.039 0.000 2.362 25 L HA 0.955 5.295 4.340 -0.000 0.000 0.271 25 L C -0.607 176.320 176.870 0.094 0.000 1.002 25 L CA -0.260 54.605 54.840 0.042 0.000 0.818 25 L CB 1.706 43.801 42.059 0.060 0.000 1.298 25 L HN 0.705 nan 8.230 nan 0.000 0.420 26 A N 4.680 127.534 122.820 0.056 0.000 2.343 26 A HA 0.775 5.095 4.320 -0.000 0.000 0.316 26 A C -1.750 175.875 177.584 0.069 0.000 1.104 26 A CA -0.463 51.614 52.037 0.066 0.000 0.768 26 A CB 1.236 20.261 19.000 0.042 0.000 1.213 26 A HN 0.739 nan 8.150 nan 0.000 0.456 27 L N 2.771 124.055 121.223 0.102 0.000 2.406 27 L HA 0.640 4.980 4.340 -0.000 0.000 0.272 27 L C -1.017 175.887 176.870 0.056 0.000 0.980 27 L CA -0.296 54.591 54.840 0.079 0.000 0.831 27 L CB 1.405 43.540 42.059 0.127 0.000 1.253 27 L HN 0.795 nan 8.230 nan 0.000 0.406 28 C N 6.513 125.826 119.300 0.022 0.000 2.322 28 C HA 0.777 5.237 4.460 -0.000 0.000 0.324 28 C C -0.522 174.465 174.990 -0.004 0.000 1.284 28 C CA -0.709 58.316 59.018 0.012 0.000 1.606 28 C CB -0.312 27.433 27.740 0.008 0.000 2.251 28 C HN 0.822 nan 8.230 nan 0.000 0.502 29 L N 7.039 128.263 121.223 0.001 0.000 2.354 29 L HA 0.552 4.892 4.340 -0.000 0.000 0.269 29 L C -2.184 174.682 176.870 -0.008 0.000 1.005 29 L CA -1.787 53.048 54.840 -0.009 0.000 0.819 29 L CB 1.965 44.022 42.059 -0.003 0.000 1.311 29 L HN 0.441 nan 8.230 nan 0.000 0.423 30 P HA 0.184 nan 4.420 nan 0.000 0.271 30 P C 0.496 177.793 177.300 -0.006 0.000 1.216 30 P CA 0.219 63.313 63.100 -0.010 0.000 0.771 30 P CB 0.832 32.524 31.700 -0.014 0.000 0.864 31 G N 0.825 109.623 108.800 -0.002 0.000 2.182 31 G HA2 -0.203 3.757 3.960 -0.000 0.000 0.248 31 G HA3 -0.203 3.757 3.960 -0.000 0.000 0.248 31 G C -0.194 174.707 174.900 0.001 0.000 1.042 31 G CA 0.279 45.379 45.100 -0.001 0.000 0.775 31 G HN 0.725 nan 8.290 nan 0.000 0.501 32 E N -0.847 119.355 120.200 0.003 0.000 2.388 32 E HA 0.454 4.804 4.350 -0.000 0.000 0.281 32 E C -0.862 175.741 176.600 0.005 0.000 1.046 32 E CA -0.868 55.536 56.400 0.006 0.000 0.825 32 E CB 0.825 30.531 29.700 0.011 0.000 1.243 32 E HN 0.015 nan 8.360 nan 0.000 0.438 33 E N 1.399 121.601 120.200 0.003 0.000 2.331 33 E HA 0.205 4.555 4.350 -0.000 0.000 0.272 33 E C -0.564 176.036 176.600 -0.000 0.000 1.036 33 E CA -0.234 56.166 56.400 -0.000 0.000 0.864 33 E CB 1.233 30.930 29.700 -0.006 0.000 1.035 33 E HN 0.509 nan 8.360 nan 0.000 0.408 34 T N 2.219 116.773 114.554 0.000 0.000 2.905 34 T HA 0.094 4.444 4.350 -0.000 0.000 0.299 34 T C 0.131 174.816 174.700 -0.024 0.000 1.024 34 T CA 0.363 62.464 62.100 0.002 0.000 1.151 34 T CB 0.173 69.045 68.868 0.007 0.000 0.987 34 T HN 0.220 nan 8.240 nan 0.000 0.535 35 S N 2.831 118.517 115.700 -0.025 0.000 2.532 35 S HA 0.660 5.130 4.470 -0.000 0.000 0.301 35 S C -0.364 174.123 174.600 -0.189 0.000 1.083 35 S CA -0.934 57.180 58.200 -0.143 0.000 1.025 35 S CB 1.038 64.150 63.200 -0.146 0.000 1.056 35 S HN 0.479 nan 8.310 nan 0.000 0.494 36 L N 2.467 123.476 121.223 -0.356 0.000 2.346 36 L HA 0.651 4.991 4.340 -0.000 0.000 0.274 36 L C -1.525 175.050 176.870 -0.491 0.000 1.007 36 L CA -0.829 53.866 54.840 -0.241 0.000 0.818 36 L CB 1.100 43.095 42.059 -0.106 0.000 1.284 36 L HN 0.669 nan 8.230 nan 0.000 0.424 37 Y N 0.505 120.806 120.300 0.001 0.000 2.457 37 Y HA 0.569 5.119 4.550 -0.000 0.000 0.343 37 Y C -0.597 175.310 175.900 0.011 0.000 0.994 37 Y CA -0.947 57.154 58.100 0.001 0.000 1.031 37 Y CB 2.319 40.770 38.460 -0.015 0.000 1.246 37 Y HN 0.472 nan 8.280 nan 0.000 0.449 38 Q N 0.819 120.714 119.800 0.158 0.000 2.451 38 Q HA 0.804 5.144 4.340 -0.000 0.000 0.281 38 Q C -1.214 174.833 176.000 0.078 0.000 1.099 38 Q CA -1.053 54.820 55.803 0.116 0.000 0.806 38 Q CB 2.734 31.544 28.738 0.120 0.000 1.419 38 Q HN 0.526 nan 8.270 nan 0.000 0.427 39 S N -0.440 115.286 115.700 0.044 0.000 2.546 39 S HA 0.844 5.314 4.470 -0.000 0.000 0.274 39 S C -0.302 174.245 174.600 -0.088 0.000 1.121 39 S CA 0.376 58.564 58.200 -0.019 0.000 0.887 39 S CB 1.157 64.356 63.200 -0.003 0.000 1.094 39 S HN 1.164 nan 8.310 nan 0.000 0.474 40 G N 2.427 111.075 108.800 -0.254 0.000 2.525 40 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.248 40 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.248 40 G C -1.667 172.903 174.900 -0.550 0.000 1.238 40 G CA 0.157 44.942 45.100 -0.524 0.000 0.926 40 G HN 0.874 nan 8.290 nan 0.000 0.574 41 Y N -0.096 120.202 120.300 -0.003 0.000 2.446 41 Y HA 0.699 5.249 4.550 -0.000 0.000 0.345 41 Y C 1.294 177.170 175.900 -0.040 0.000 0.984 41 Y CA 0.026 58.107 58.100 -0.033 0.000 1.058 41 Y CB 1.748 40.160 38.460 -0.081 0.000 1.220 41 Y HN 0.914 nan 8.280 nan 0.000 0.455 42 A N 0.609 123.445 122.820 0.026 0.000 1.930 42 A HA -0.036 4.284 4.320 -0.000 0.000 0.215 42 A C 0.349 177.922 177.584 -0.018 0.000 1.176 42 A CA 1.332 53.241 52.037 -0.213 0.000 0.632 42 A CB -0.022 18.441 19.000 -0.894 0.000 0.819 42 A HN 0.683 nan 8.150 nan 0.000 0.445 43 D N -1.032 119.397 120.400 0.049 0.000 2.549 43 D HA 0.221 4.861 4.640 -0.000 0.000 0.251 43 D C 0.503 176.785 176.300 -0.030 0.000 1.153 43 D CA -0.363 53.693 54.000 0.093 0.000 0.861 43 D CB 1.422 42.258 40.800 0.061 0.000 1.207 43 D HN 0.171 nan 8.370 nan 0.000 0.543 44 K N 2.719 123.032 120.400 -0.144 0.000 2.026 44 K HA -0.115 4.205 4.320 -0.000 0.000 0.208 44 K C 1.201 177.376 176.600 -0.708 0.000 1.048 44 K CA 1.374 57.272 56.287 -0.648 0.000 0.929 44 K CB 0.079 31.745 32.500 -1.390 0.000 0.713 44 K HN 0.373 nan 8.250 nan 0.000 0.439 45 F N 0.385 120.261 119.950 -0.124 0.000 2.619 45 F HA 0.077 4.604 4.527 -0.000 0.000 0.293 45 F C 1.724 177.451 175.800 -0.122 0.000 1.119 45 F CA -0.056 57.871 58.000 -0.122 0.000 1.445 45 F CB 0.052 39.016 39.000 -0.061 0.000 1.119 45 F HN 0.012 nan 8.300 nan 0.000 0.573 46 N N 0.829 119.540 118.700 0.017 0.000 2.457 46 N HA -0.071 4.669 4.740 -0.000 0.000 0.180 46 N C 0.196 175.616 175.510 -0.151 0.000 1.050 46 N CA 0.464 53.494 53.050 -0.033 0.000 0.906 46 N CB -0.228 38.263 38.487 0.006 0.000 0.968 46 N HN 0.109 nan 8.380 nan 0.000 0.445 47 K N -0.099 120.085 120.400 -0.361 0.000 3.077 47 K HA -0.210 4.110 4.320 -0.000 0.000 0.264 47 K C -0.187 176.249 176.600 -0.274 0.000 1.008 47 K CA 0.243 56.077 56.287 -0.755 0.000 0.740 47 K CB -1.505 30.576 32.500 -0.697 0.000 1.273 47 K HN 0.341 nan 8.250 nan 0.000 0.477 48 M N 1.716 121.278 119.600 -0.063 0.000 2.194 48 M HA 0.147 4.627 4.480 -0.000 0.000 0.347 48 M C -2.282 174.180 176.300 0.270 0.000 1.439 48 M CA -1.657 53.708 55.300 0.108 0.000 1.131 48 M CB 0.595 33.249 32.600 0.090 0.000 1.733 48 M HN -0.185 nan 8.290 nan 0.000 0.467 49 P HA 0.087 nan 4.420 nan 0.000 0.271 49 P C -0.763 176.666 177.300 0.215 0.000 1.216 49 P CA -0.286 62.976 63.100 0.270 0.000 0.776 49 P CB 0.479 32.290 31.700 0.185 0.000 0.881 50 M N 3.536 123.217 119.600 0.135 0.000 2.246 50 M HA 0.203 4.683 4.480 -0.000 0.000 0.350 50 M C 0.097 176.557 176.300 0.267 0.000 1.406 50 M CA 0.874 56.278 55.300 0.173 0.000 1.089 50 M CB -0.289 32.381 32.600 0.116 0.000 1.782 50 M HN 0.477 nan 8.290 nan 0.000 0.457 51 T N 1.192 116.021 114.554 0.458 0.000 2.927 51 T HA 0.685 5.035 4.350 -0.000 0.000 0.286 51 T C 0.923 175.736 174.700 0.189 0.000 1.040 51 T CA -0.506 61.721 62.100 0.211 0.000 1.010 51 T CB 1.282 70.184 68.868 0.057 0.000 1.177 51 T HN 0.668 nan 8.240 nan 0.000 0.546 52 G N -0.357 108.499 108.800 0.093 0.000 2.598 52 G HA2 0.014 3.974 3.960 -0.000 0.000 0.215 52 G HA3 0.014 3.974 3.960 -0.000 0.000 0.215 52 G C 0.714 175.659 174.900 0.075 0.000 1.131 52 G CA 0.238 45.390 45.100 0.087 0.000 0.785 52 G HN 0.792 nan 8.290 nan 0.000 0.539 53 D N -0.364 120.041 120.400 0.007 0.000 2.360 53 D HA 0.046 4.685 4.640 -0.000 0.000 0.210 53 D C 0.280 176.550 176.300 -0.049 0.000 1.047 53 D CA -0.099 53.882 54.000 -0.031 0.000 0.854 53 D CB 0.054 40.804 40.800 -0.083 0.000 0.936 53 D HN 0.264 nan 8.370 nan 0.000 0.514 54 H N 0.958 120.062 119.070 0.056 0.000 2.848 54 H HA 0.138 4.694 4.556 -0.000 0.000 0.341 54 H C 0.723 176.017 175.328 -0.056 0.000 1.060 54 H CA 0.332 56.354 56.048 -0.043 0.000 1.444 54 H CB 1.061 30.739 29.762 -0.140 0.000 1.446 54 H HN -0.013 nan 8.280 nan 0.000 0.583 55 L N 3.710 124.932 121.223 -0.003 0.000 2.357 55 L HA 0.377 4.717 4.340 -0.000 0.000 0.273 55 L C -0.237 176.470 176.870 -0.271 0.000 1.080 55 L CA -0.260 54.588 54.840 0.013 0.000 0.803 55 L CB 0.572 42.681 42.059 0.083 0.000 1.174 55 L HN 0.365 nan 8.230 nan 0.000 0.443 56 F N -0.287 119.639 119.950 -0.040 0.000 2.599 56 F HA 0.495 5.022 4.527 -0.000 0.000 0.311 56 F C 0.007 175.807 175.800 0.001 0.000 1.076 56 F CA -0.971 56.962 58.000 -0.111 0.000 0.937 56 F CB 1.704 40.511 39.000 -0.322 0.000 1.282 56 F HN 0.257 nan 8.300 nan 0.000 0.460 57 R N 2.527 123.277 120.500 0.417 0.000 2.248 57 R HA 0.295 4.635 4.340 -0.000 0.000 0.328 57 R C 0.957 177.364 176.300 0.178 0.000 1.067 57 R CA -0.135 56.085 56.100 0.199 0.000 0.924 57 R CB 0.342 30.740 30.300 0.163 0.000 1.013 57 R HN 0.732 nan 8.270 nan 0.000 0.454 58 I N 0.258 120.872 120.570 0.074 0.000 3.684 58 I HA 0.229 4.399 4.170 -0.000 0.000 0.304 58 I C 0.985 177.115 176.117 0.021 0.000 1.278 58 I CA 0.206 61.530 61.300 0.040 0.000 1.272 58 I CB -0.146 37.865 38.000 0.019 0.000 1.029 58 I HN 0.718 nan 8.210 nan 0.000 0.458 59 A N 1.811 124.649 122.820 0.030 0.000 5.483 59 A HA -0.381 3.939 4.320 -0.000 0.000 0.309 59 A C 1.744 179.311 177.584 -0.028 0.000 1.898 59 A CA 1.806 53.850 52.037 0.011 0.000 0.716 59 A CB -2.281 16.720 19.000 0.002 0.000 1.309 59 A HN 0.464 nan 8.150 nan 0.000 0.380 60 S N -1.242 114.425 115.700 -0.054 0.000 2.488 60 S HA -0.169 4.301 4.470 -0.000 0.000 0.246 60 S C 1.600 175.949 174.600 -0.417 0.000 0.992 60 S CA 1.490 59.602 58.200 -0.148 0.000 0.963 60 S CB -0.984 62.213 63.200 -0.006 0.000 0.754 60 S HN 0.779 nan 8.310 nan 0.000 0.519 61 C N 1.131 120.304 119.300 -0.212 0.000 2.419 61 C HA -0.060 4.400 4.460 -0.000 0.000 0.281 61 C C 2.738 177.717 174.990 -0.019 0.000 1.336 61 C CA 0.813 59.747 59.018 -0.140 0.000 1.770 61 C CB -1.742 26.029 27.740 0.052 0.000 1.929 61 C HN 0.607 nan 8.230 nan 0.000 0.509 62 T N 1.109 115.657 114.554 -0.010 0.000 2.685 62 T HA -0.259 4.091 4.350 -0.000 0.000 0.268 62 T C 1.781 176.513 174.700 0.053 0.000 1.034 62 T CA 1.507 63.649 62.100 0.070 0.000 1.149 62 T CB -0.243 68.636 68.868 0.018 0.000 0.860 62 T HN 0.649 nan 8.240 nan 0.000 0.449 63 K N 0.887 121.155 120.400 -0.220 0.000 2.113 63 K HA -0.080 4.240 4.320 -0.000 0.000 0.208 63 K C 2.724 179.310 176.600 -0.023 0.000 1.047 63 K CA 1.486 57.552 56.287 -0.368 0.000 0.928 63 K CB -0.228 31.709 32.500 -0.938 0.000 0.716 63 K HN 0.241 nan 8.250 nan 0.000 0.446 64 S N 0.593 116.283 115.700 -0.017 0.000 2.402 64 S HA -0.072 4.398 4.470 -0.000 0.000 0.229 64 S C 1.673 176.290 174.600 0.028 0.000 1.021 64 S CA 1.115 59.374 58.200 0.098 0.000 0.974 64 S CB -0.236 63.035 63.200 0.119 0.000 0.800 64 S HN 0.199 nan 8.310 nan 0.000 0.484 65 F N 1.221 121.145 119.950 -0.044 0.000 2.206 65 F HA 0.027 4.554 4.527 -0.000 0.000 0.298 65 F C 2.103 177.913 175.800 0.017 0.000 1.090 65 F CA 0.562 58.492 58.000 -0.116 0.000 1.323 65 F CB -0.310 38.580 39.000 -0.184 0.000 1.028 65 F HN 0.166 nan 8.300 nan 0.000 0.492 66 I N 0.020 120.730 120.570 0.234 0.000 2.286 66 I HA -0.208 3.962 4.170 -0.000 0.000 0.245 66 I C 2.675 178.866 176.117 0.122 0.000 1.104 66 I CA 1.341 62.737 61.300 0.160 0.000 1.397 66 I CB -1.695 36.392 38.000 0.146 0.000 1.072 66 I HN 0.073 nan 8.210 nan 0.000 0.417 67 A N 0.875 123.816 122.820 0.202 0.000 1.873 67 A HA -0.249 4.071 4.320 -0.000 0.000 0.218 67 A C 2.431 180.068 177.584 0.088 0.000 1.193 67 A CA 2.795 54.885 52.037 0.089 0.000 0.629 67 A CB -1.242 17.920 19.000 0.270 0.000 0.826 67 A HN 0.414 nan 8.150 nan 0.000 0.447 68 T N -0.201 114.483 114.554 0.216 0.000 2.665 68 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 68 T C 1.966 176.774 174.700 0.179 0.000 1.035 68 T CA 1.714 63.953 62.100 0.233 0.000 1.151 68 T CB -0.839 68.174 68.868 0.243 0.000 0.862 68 T HN 0.639 nan 8.240 nan 0.000 0.438 69 G N 1.238 110.133 108.800 0.159 0.000 2.440 69 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.218 69 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.218 69 G C 1.511 176.560 174.900 0.249 0.000 1.154 69 G CA 0.801 46.049 45.100 0.248 0.000 0.767 69 G HN 0.400 nan 8.290 nan 0.000 0.552 70 L N 0.065 121.308 121.223 0.034 0.000 2.056 70 L HA 0.023 4.363 4.340 -0.000 0.000 0.207 70 L C 2.618 179.447 176.870 -0.068 0.000 1.078 70 L CA 1.633 56.410 54.840 -0.105 0.000 0.749 70 L CB -0.696 41.205 42.059 -0.263 0.000 0.901 70 L HN 0.263 nan 8.230 nan 0.000 0.433 71 H N -0.623 118.481 119.070 0.056 0.000 2.387 71 H HA -0.088 4.468 4.556 -0.000 0.000 0.299 71 H C 2.344 177.712 175.328 0.066 0.000 1.090 71 H CA 1.763 57.841 56.048 0.051 0.000 1.332 71 H CB -0.265 29.526 29.762 0.048 0.000 1.386 71 H HN 0.336 nan 8.280 nan 0.000 0.516 72 L N 0.231 121.581 121.223 0.210 0.000 2.079 72 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 72 L C 2.598 179.563 176.870 0.158 0.000 1.081 72 L CA 0.818 55.762 54.840 0.172 0.000 0.752 72 L CB -0.413 41.751 42.059 0.175 0.000 0.896 72 L HN 0.186 nan 8.230 nan 0.000 0.433 73 L N -1.226 120.083 121.223 0.144 0.000 2.141 73 L HA -0.169 4.171 4.340 -0.000 0.000 0.209 73 L C 2.498 179.415 176.870 0.078 0.000 1.094 73 L CA 0.654 55.539 54.840 0.076 0.000 0.763 73 L CB -0.447 41.603 42.059 -0.015 0.000 0.908 73 L HN 0.088 nan 8.230 nan 0.000 0.437 74 V N 0.592 120.559 119.914 0.089 0.000 2.295 74 V HA -0.310 3.810 4.120 -0.000 0.000 0.246 74 V C 2.542 178.692 176.094 0.092 0.000 1.049 74 V CA 2.235 64.595 62.300 0.099 0.000 1.024 74 V CB -0.741 31.163 31.823 0.134 0.000 0.648 74 V HN 0.665 nan 8.190 nan 0.000 0.447 75 Q N -0.610 119.246 119.800 0.095 0.000 2.297 75 Q HA -0.180 4.160 4.340 -0.000 0.000 0.204 75 Q C 1.364 177.401 176.000 0.062 0.000 0.962 75 Q CA 1.571 57.416 55.803 0.071 0.000 0.879 75 Q CB -0.366 28.410 28.738 0.063 0.000 0.947 75 Q HN 0.474 nan 8.270 nan 0.000 0.462 76 D N 0.719 121.161 120.400 0.071 0.000 2.312 76 D HA 0.023 4.663 4.640 -0.000 0.000 0.211 76 D C 1.121 177.454 176.300 0.056 0.000 0.964 76 D CA 1.458 55.496 54.000 0.063 0.000 0.877 76 D CB 0.291 41.135 40.800 0.075 0.000 0.924 76 D HN 0.580 nan 8.370 nan 0.000 0.515 77 G N -0.407 108.430 108.800 0.061 0.000 2.184 77 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.206 77 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.206 77 G C 1.161 176.100 174.900 0.065 0.000 0.995 77 G CA 0.783 45.917 45.100 0.056 0.000 0.651 77 G HN 0.399 nan 8.290 nan 0.000 0.511 78 T N -1.996 112.604 114.554 0.078 0.000 3.060 78 T HA 0.583 4.933 4.350 -0.000 0.000 0.249 78 T C 0.514 175.305 174.700 0.152 0.000 1.079 78 T CA 0.685 62.842 62.100 0.096 0.000 1.013 78 T CB 0.939 69.861 68.868 0.092 0.000 0.975 78 T HN 0.814 nan 8.240 nan 0.000 0.518 79 V N 1.855 121.856 119.914 0.146 0.000 2.709 79 V HA 0.609 4.729 4.120 -0.000 0.000 0.308 79 V C -1.412 174.769 176.094 0.146 0.000 1.062 79 V CA -1.123 61.295 62.300 0.196 0.000 0.901 79 V CB 1.989 33.883 31.823 0.120 0.000 1.003 79 V HN 0.333 nan 8.190 nan 0.000 0.425 80 D N 2.838 123.340 120.400 0.169 0.000 2.375 80 D HA 0.412 5.052 4.640 -0.000 0.000 0.247 80 D C 0.737 177.115 176.300 0.130 0.000 1.061 80 D CA -0.495 53.580 54.000 0.125 0.000 0.834 80 D CB 2.059 42.921 40.800 0.104 0.000 1.247 80 D HN 0.373 nan 8.370 nan 0.000 0.489 81 L N 2.135 123.420 121.223 0.105 0.000 2.353 81 L HA -0.053 4.287 4.340 -0.000 0.000 0.220 81 L C 0.945 177.885 176.870 0.118 0.000 1.133 81 L CA 0.911 55.806 54.840 0.092 0.000 0.798 81 L CB 0.040 42.143 42.059 0.073 0.000 0.922 81 L HN 0.442 nan 8.230 nan 0.000 0.445 82 D N -0.495 119.980 120.400 0.125 0.000 2.398 82 D HA 0.019 4.659 4.640 -0.000 0.000 0.210 82 D C 0.519 176.904 176.300 0.142 0.000 1.094 82 D CA 0.084 54.169 54.000 0.142 0.000 0.839 82 D CB 0.409 41.282 40.800 0.121 0.000 0.963 82 D HN 0.531 nan 8.370 nan 0.000 0.506 83 E N 2.152 122.440 120.200 0.146 0.000 2.331 83 E HA 0.276 4.625 4.350 -0.000 0.000 0.272 83 E C -2.556 174.147 176.600 0.173 0.000 1.036 83 E CA -1.843 54.639 56.400 0.137 0.000 0.864 83 E CB 1.000 30.774 29.700 0.123 0.000 1.035 83 E HN -0.176 nan 8.360 nan 0.000 0.408 84 P HA 0.029 nan 4.420 nan 0.000 0.275 84 P C 0.618 178.034 177.300 0.194 0.000 1.228 84 P CA -0.164 63.025 63.100 0.147 0.000 0.786 84 P CB 0.577 32.334 31.700 0.095 0.000 0.927 85 I N -0.480 120.256 120.570 0.277 0.000 3.680 85 I HA -0.023 4.147 4.170 -0.000 0.000 0.306 85 I C 1.224 177.528 176.117 0.310 0.000 1.260 85 I CA 0.250 61.825 61.300 0.458 0.000 1.201 85 I CB -1.224 37.061 38.000 0.475 0.000 1.009 85 I HN 0.181 nan 8.210 nan 0.000 0.467 86 T N -1.140 113.491 114.554 0.128 0.000 2.915 86 T HA -0.165 4.185 4.350 -0.000 0.000 0.269 86 T C 1.931 176.549 174.700 -0.136 0.000 1.071 86 T CA 1.145 63.264 62.100 0.032 0.000 1.132 86 T CB -0.438 68.436 68.868 0.010 0.000 0.878 86 T HN 0.525 nan 8.240 nan 0.000 0.479 87 R N -0.286 120.026 120.500 -0.315 0.000 2.117 87 R HA -0.104 4.236 4.340 -0.000 0.000 0.243 87 R C 1.819 177.611 176.300 -0.845 0.000 1.143 87 R CA 1.889 57.564 56.100 -0.708 0.000 0.968 87 R CB -0.169 29.377 30.300 -1.257 0.000 0.863 87 R HN 0.591 nan 8.270 nan 0.000 0.444 88 W N -1.314 119.688 121.300 -0.497 0.000 2.777 88 W HA 0.180 4.840 4.660 -0.000 0.000 0.260 88 W C -0.173 175.796 176.519 -0.917 0.000 1.194 88 W CA -0.226 56.573 57.345 -0.910 0.000 1.447 88 W CB 0.266 28.898 29.460 -1.380 0.000 1.009 88 W HN -0.098 nan 8.180 nan 0.000 0.613 89 F N 0.735 120.771 119.950 0.145 0.000 2.550 89 F HA 0.348 4.875 4.527 -0.000 0.000 0.348 89 F C -1.986 173.826 175.800 0.020 0.000 1.219 89 F CA -2.488 55.553 58.000 0.067 0.000 1.203 89 F CB 0.024 39.071 39.000 0.077 0.000 1.436 89 F HN -0.343 nan 8.300 nan 0.000 0.541 90 P HA -0.123 nan 4.420 nan 0.000 0.216 90 P C 0.727 178.051 177.300 0.040 0.000 1.150 90 P CA 1.500 64.620 63.100 0.032 0.000 0.837 90 P CB 0.364 32.059 31.700 -0.010 0.000 0.786 91 D N -1.406 119.017 120.400 0.038 0.000 2.349 91 D HA 0.071 4.711 4.640 -0.000 0.000 0.214 91 D C 0.556 176.826 176.300 -0.050 0.000 1.063 91 D CA -0.131 53.866 54.000 -0.004 0.000 0.847 91 D CB -0.107 40.684 40.800 -0.015 0.000 0.933 91 D HN 0.136 nan 8.370 nan 0.000 0.513 92 L N 2.629 123.841 121.223 -0.018 0.000 2.477 92 L HA 0.169 4.509 4.340 -0.000 0.000 0.272 92 L C -2.286 174.544 176.870 -0.066 0.000 1.157 92 L CA -1.069 53.699 54.840 -0.120 0.000 0.889 92 L CB 0.361 42.414 42.059 -0.011 0.000 1.158 92 L HN -0.279 nan 8.230 nan 0.000 0.473 93 P HA 0.021 nan 4.420 nan 0.000 0.264 93 P C -0.435 176.935 177.300 0.117 0.000 1.193 93 P CA 0.167 63.284 63.100 0.028 0.000 0.763 93 P CB 0.320 32.076 31.700 0.093 0.000 0.810 94 K N 1.275 121.732 120.400 0.094 0.000 3.407 94 K HA -0.277 4.043 4.320 -0.000 0.000 0.312 94 K C 1.235 177.896 176.600 0.103 0.000 1.302 94 K CA 0.781 57.127 56.287 0.099 0.000 0.931 94 K CB -2.018 30.545 32.500 0.106 0.000 1.257 94 K HN 0.513 nan 8.250 nan 0.000 0.454 95 A N 0.739 123.622 122.820 0.105 0.000 2.024 95 A HA -0.048 4.272 4.320 -0.000 0.000 0.220 95 A C 2.328 179.985 177.584 0.121 0.000 1.164 95 A CA 2.008 54.122 52.037 0.129 0.000 0.643 95 A CB -0.434 18.658 19.000 0.154 0.000 0.806 95 A HN 0.562 nan 8.150 nan 0.000 0.451 96 A N -1.122 121.757 122.820 0.098 0.000 2.066 96 A HA -0.026 4.294 4.320 -0.000 0.000 0.218 96 A C 1.796 179.446 177.584 0.111 0.000 1.157 96 A CA 1.381 53.472 52.037 0.091 0.000 0.670 96 A CB -0.204 18.837 19.000 0.069 0.000 0.804 96 A HN 0.544 nan 8.150 nan 0.000 0.453 97 Q N -0.913 118.961 119.800 0.122 0.000 2.222 97 Q HA 0.387 4.727 4.340 -0.000 0.000 0.206 97 Q C -0.293 175.808 176.000 0.167 0.000 0.877 97 Q CA 0.237 56.137 55.803 0.162 0.000 0.958 97 Q CB 0.295 29.133 28.738 0.165 0.000 1.075 97 Q HN 0.580 nan 8.270 nan 0.000 0.483 98 M N 2.596 122.273 119.600 0.128 0.000 2.027 98 M HA 0.347 4.827 4.480 -0.000 0.000 0.329 98 M C -2.430 173.945 176.300 0.124 0.000 0.971 98 M CA -2.164 53.182 55.300 0.077 0.000 0.933 98 M CB 1.505 34.140 32.600 0.057 0.000 1.392 98 M HN -0.118 nan 8.290 nan 0.000 0.394 99 P HA 0.114 nan 4.420 nan 0.000 0.274 99 P C 0.821 178.195 177.300 0.123 0.000 1.256 99 P CA -0.403 62.805 63.100 0.180 0.000 0.795 99 P CB 1.164 33.019 31.700 0.258 0.000 1.038 100 V N 1.933 121.927 119.914 0.134 0.000 2.287 100 V HA -0.290 3.830 4.120 -0.000 0.000 0.248 100 V C 2.849 178.939 176.094 -0.006 0.000 1.053 100 V CA 2.816 65.147 62.300 0.052 0.000 1.027 100 V CB -1.403 30.445 31.823 0.042 0.000 0.646 100 V HN 0.685 nan 8.190 nan 0.000 0.447 101 R N 0.611 121.146 120.500 0.058 0.000 2.154 101 R HA -0.202 4.138 4.340 -0.000 0.000 0.248 101 R C 2.172 178.522 176.300 0.083 0.000 1.155 101 R CA 2.335 58.507 56.100 0.119 0.000 0.979 101 R CB -0.841 29.564 30.300 0.175 0.000 0.869 101 R HN 0.499 nan 8.270 nan 0.000 0.452 102 I N 1.027 121.562 120.570 -0.059 0.000 2.830 102 I HA -0.129 4.041 4.170 -0.000 0.000 0.263 102 I C 1.722 177.683 176.117 -0.260 0.000 1.230 102 I CA 0.707 61.838 61.300 -0.282 0.000 1.480 102 I CB 0.147 37.840 38.000 -0.513 0.000 1.095 102 I HN 0.253 nan 8.210 nan 0.000 0.455 103 L N -0.163 120.926 121.223 -0.224 0.000 2.291 103 L HA -0.127 4.213 4.340 -0.000 0.000 0.214 103 L C 1.955 178.508 176.870 -0.528 0.000 1.120 103 L CA 0.830 55.479 54.840 -0.318 0.000 0.799 103 L CB -0.220 41.661 42.059 -0.297 0.000 0.925 103 L HN 0.287 nan 8.230 nan 0.000 0.446 104 L N -0.269 120.706 121.223 -0.414 0.000 2.515 104 L HA 0.052 4.392 4.340 -0.000 0.000 0.223 104 L C 1.579 178.273 176.870 -0.294 0.000 1.079 104 L CA 0.130 54.712 54.840 -0.429 0.000 0.857 104 L CB -0.142 41.821 42.059 -0.161 0.000 1.050 104 L HN 0.373 nan 8.230 nan 0.000 0.476 105 N N -2.040 116.480 118.700 -0.301 0.000 2.236 105 N HA -0.100 4.640 4.740 -0.000 0.000 0.196 105 N C 0.410 175.849 175.510 -0.118 0.000 1.114 105 N CA -0.141 52.742 53.050 -0.279 0.000 0.859 105 N CB -0.197 38.089 38.487 -0.335 0.000 0.982 105 N HN 0.201 nan 8.380 nan 0.000 0.493 106 H N -0.304 118.725 119.070 -0.068 0.000 2.936 106 H HA -0.115 4.441 4.556 -0.000 0.000 0.276 106 H C -0.294 174.988 175.328 -0.076 0.000 1.216 106 H CA 0.894 56.909 56.048 -0.055 0.000 1.132 106 H CB -1.605 28.153 29.762 -0.007 0.000 1.303 106 H HN 0.522 nan 8.280 nan 0.000 0.370 107 R N 0.276 120.710 120.500 -0.110 0.000 2.613 107 R HA 0.133 4.473 4.340 -0.000 0.000 0.361 107 R C 1.600 177.735 176.300 -0.275 0.000 1.072 107 R CA 0.693 56.674 56.100 -0.198 0.000 1.089 107 R CB 0.606 30.802 30.300 -0.173 0.000 1.343 107 R HN 0.294 nan 8.270 nan 0.000 0.571 108 S N -0.558 115.032 115.700 -0.182 0.000 2.470 108 S HA 0.031 4.501 4.470 -0.000 0.000 0.225 108 S C 1.589 176.175 174.600 -0.024 0.000 1.006 108 S CA 0.585 58.674 58.200 -0.185 0.000 0.934 108 S CB 0.237 63.342 63.200 -0.158 0.000 0.778 108 S HN 0.435 nan 8.310 nan 0.000 0.517 109 G N 1.197 110.068 108.800 0.119 0.000 2.179 109 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.257 109 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.257 109 G C -0.041 174.810 174.900 -0.083 0.000 1.010 109 G CA 0.459 45.568 45.100 0.014 0.000 0.736 109 G HN 0.568 nan 8.290 nan 0.000 0.513 110 L N 1.718 122.900 121.223 -0.068 0.000 2.461 110 L HA 0.312 4.652 4.340 -0.000 0.000 0.272 110 L C -1.022 175.718 176.870 -0.217 0.000 1.197 110 L CA -1.643 53.110 54.840 -0.145 0.000 0.836 110 L CB 0.414 42.421 42.059 -0.087 0.000 1.105 110 L HN 0.019 nan 8.230 nan 0.000 0.477 111 P HA 0.072 nan 4.420 nan 0.000 0.271 111 P C -1.263 175.931 177.300 -0.176 0.000 1.216 111 P CA -0.231 62.664 63.100 -0.342 0.000 0.776 111 P CB 1.013 32.363 31.700 -0.583 0.000 0.881 112 D N 0.785 121.141 120.400 -0.072 0.000 2.228 112 D HA 0.370 5.010 4.640 -0.000 0.000 0.247 112 D C 0.571 176.927 176.300 0.095 0.000 0.995 112 D CA -0.534 53.457 54.000 -0.014 0.000 0.903 112 D CB 0.712 41.463 40.800 -0.083 0.000 1.205 112 D HN 0.334 nan 8.370 nan 0.000 0.459 113 F N 0.740 120.754 119.950 0.108 0.000 2.678 113 F HA 0.302 4.829 4.527 -0.000 0.000 0.291 113 F C 1.831 177.740 175.800 0.181 0.000 1.123 113 F CA -0.212 57.920 58.000 0.220 0.000 1.395 113 F CB -0.405 38.721 39.000 0.210 0.000 1.121 113 F HN 0.365 nan 8.300 nan 0.000 0.592 114 E N 1.668 121.641 120.200 -0.377 0.000 2.038 114 E HA -0.189 4.161 4.350 -0.000 0.000 0.195 114 E C 1.834 178.434 176.600 -0.000 0.000 1.000 114 E CA 2.676 58.925 56.400 -0.251 0.000 0.803 114 E CB -0.899 28.598 29.700 -0.339 0.000 0.750 114 E HN 0.307 nan 8.360 nan 0.000 0.448 115 T N -0.291 114.273 114.554 0.017 0.000 2.720 115 T HA -0.110 4.239 4.350 -0.000 0.000 0.268 115 T C 1.975 176.730 174.700 0.092 0.000 1.037 115 T CA 1.587 63.717 62.100 0.049 0.000 1.144 115 T CB -0.340 68.550 68.868 0.037 0.000 0.864 115 T HN 0.172 nan 8.240 nan 0.000 0.444 116 S N 0.400 116.192 115.700 0.154 0.000 2.436 116 S HA 0.237 4.706 4.470 -0.000 0.000 0.228 116 S C 0.858 175.643 174.600 0.309 0.000 1.014 116 S CA 0.065 58.362 58.200 0.162 0.000 0.950 116 S CB -0.191 63.025 63.200 0.026 0.000 0.784 116 S HN 0.454 nan 8.310 nan 0.000 0.504 117 M N 3.989 123.803 119.600 0.357 0.000 2.238 117 M HA 0.146 4.625 4.480 -0.000 0.000 0.350 117 M C -2.309 174.111 176.300 0.199 0.000 1.321 117 M CA -1.907 53.525 55.300 0.221 0.000 1.097 117 M CB 0.594 33.282 32.600 0.147 0.000 1.713 117 M HN -0.041 nan 8.290 nan 0.000 0.455 118 P HA -0.021 nan 4.420 nan 0.000 0.270 118 P C -0.083 177.316 177.300 0.165 0.000 1.223 118 P CA -0.048 63.120 63.100 0.113 0.000 0.785 118 P CB 0.757 32.498 31.700 0.068 0.000 0.923 119 M N 0.910 120.565 119.600 0.091 0.000 2.102 119 M HA -0.015 4.465 4.480 -0.000 0.000 0.259 119 M C 0.491 176.853 176.300 0.103 0.000 1.083 119 M CA 1.370 56.769 55.300 0.165 0.000 1.141 119 M CB -0.131 32.513 32.600 0.074 0.000 1.318 119 M HN 0.191 nan 8.290 nan 0.000 0.421 120 I N 0.863 121.320 120.570 -0.188 0.000 2.363 120 I HA 0.065 4.235 4.170 -0.000 0.000 0.292 120 I C -0.034 176.014 176.117 -0.115 0.000 1.075 120 I CA 0.362 61.506 61.300 -0.259 0.000 1.333 120 I CB 0.445 38.083 38.000 -0.604 0.000 1.415 120 I HN 0.047 nan 8.210 nan 0.000 0.502 121 S N 3.637 119.310 115.700 -0.044 0.000 2.537 121 S HA 0.401 4.871 4.470 -0.000 0.000 0.270 121 S C -0.253 174.326 174.600 -0.035 0.000 1.142 121 S CA -0.594 57.584 58.200 -0.036 0.000 0.870 121 S CB 1.458 64.660 63.200 0.003 0.000 1.112 121 S HN 0.594 nan 8.310 nan 0.000 0.466 122 D N 1.542 121.914 120.400 -0.046 0.000 2.398 122 D HA 0.225 4.865 4.640 -0.000 0.000 0.210 122 D C 0.215 176.474 176.300 -0.069 0.000 1.094 122 D CA 0.110 54.081 54.000 -0.048 0.000 0.839 122 D CB 0.363 41.133 40.800 -0.051 0.000 0.963 122 D HN 0.459 nan 8.370 nan 0.000 0.506 123 K N 0.571 120.918 120.400 -0.089 0.000 2.401 123 K HA 0.106 4.425 4.320 -0.000 0.000 0.278 123 K C -0.227 176.277 176.600 -0.161 0.000 1.018 123 K CA -0.019 56.151 56.287 -0.196 0.000 0.981 123 K CB 0.706 32.994 32.500 -0.353 0.000 0.933 123 K HN -0.076 nan 8.250 nan 0.000 0.477 124 S N 4.070 119.642 115.700 -0.213 0.000 2.475 124 S HA 0.337 4.807 4.470 -0.000 0.000 0.281 124 S C -1.292 173.186 174.600 -0.205 0.000 1.198 124 S CA -0.753 57.377 58.200 -0.116 0.000 1.063 124 S CB 0.235 63.380 63.200 -0.092 0.000 0.972 124 S HN 0.504 nan 8.310 nan 0.000 0.486 125 W N 2.161 123.385 121.300 -0.127 0.000 2.639 125 W HA 0.518 5.178 4.660 -0.000 0.000 0.347 125 W C 0.364 176.832 176.519 -0.086 0.000 1.067 125 W CA -0.534 56.734 57.345 -0.128 0.000 1.218 125 W CB 1.835 31.182 29.460 -0.188 0.000 1.393 125 W HN 0.439 nan 8.180 nan 0.000 0.557 126 T N 1.089 115.765 114.554 0.204 0.000 2.918 126 T HA 0.432 4.782 4.350 -0.000 0.000 0.286 126 T C 0.973 175.769 174.700 0.160 0.000 1.026 126 T CA -0.066 62.120 62.100 0.144 0.000 1.031 126 T CB 1.659 70.585 68.868 0.096 0.000 1.046 126 T HN 0.528 nan 8.240 nan 0.000 0.479 127 A N 1.860 124.767 122.820 0.145 0.000 1.908 127 A HA -0.135 4.185 4.320 -0.000 0.000 0.218 127 A C 2.126 179.769 177.584 0.099 0.000 1.181 127 A CA 1.839 53.948 52.037 0.119 0.000 0.627 127 A CB -0.691 18.417 19.000 0.180 0.000 0.818 127 A HN 0.706 nan 8.150 nan 0.000 0.445 128 Q N -0.069 119.806 119.800 0.124 0.000 2.119 128 Q HA -0.154 4.185 4.340 -0.000 0.000 0.201 128 Q C 1.919 178.002 176.000 0.138 0.000 0.972 128 Q CA 2.117 57.990 55.803 0.117 0.000 0.847 128 Q CB -0.352 28.458 28.738 0.119 0.000 0.903 128 Q HN 0.779 nan 8.270 nan 0.000 0.433 129 E N -0.386 119.912 120.200 0.164 0.000 2.077 129 E HA -0.190 4.160 4.350 -0.000 0.000 0.193 129 E C 1.886 178.701 176.600 0.358 0.000 0.989 129 E CA 1.353 57.893 56.400 0.234 0.000 0.800 129 E CB -0.225 29.590 29.700 0.192 0.000 0.746 129 E HN 0.503 nan 8.360 nan 0.000 0.452 130 I N 0.504 121.220 120.570 0.243 0.000 2.127 130 I HA -0.307 3.863 4.170 -0.000 0.000 0.241 130 I C 2.435 178.596 176.117 0.072 0.000 1.075 130 I CA 0.990 62.257 61.300 -0.055 0.000 1.334 130 I CB -0.292 37.421 38.000 -0.479 0.000 1.040 130 I HN 0.094 nan 8.210 nan 0.000 0.405 131 V N 0.845 120.819 119.914 0.100 0.000 2.255 131 V HA -0.330 3.790 4.120 -0.000 0.000 0.247 131 V C 2.164 178.458 176.094 0.333 0.000 1.051 131 V CA 2.174 64.593 62.300 0.197 0.000 1.018 131 V CB -0.738 31.149 31.823 0.108 0.000 0.641 131 V HN 0.419 nan 8.190 nan 0.000 0.445 132 D N -0.473 120.087 120.400 0.267 0.000 2.106 132 D HA -0.238 4.402 4.640 -0.000 0.000 0.191 132 D C 1.937 178.443 176.300 0.342 0.000 0.997 132 D CA 1.690 55.848 54.000 0.264 0.000 0.834 132 D CB -0.474 40.445 40.800 0.199 0.000 0.956 132 D HN 0.436 nan 8.370 nan 0.000 0.448 133 F N 1.799 121.910 119.950 0.268 0.000 2.115 133 F HA -0.276 4.251 4.527 -0.000 0.000 0.300 133 F C 2.532 178.526 175.800 0.324 0.000 1.092 133 F CA 1.574 59.783 58.000 0.348 0.000 1.245 133 F CB -0.108 39.152 39.000 0.434 0.000 0.995 133 F HN -0.145 nan 8.300 nan 0.000 0.481 134 S N -0.092 115.869 115.700 0.435 0.000 2.356 134 S HA -0.197 4.273 4.470 -0.000 0.000 0.223 134 S C 1.793 176.416 174.600 0.039 0.000 1.032 134 S CA 1.540 59.898 58.200 0.263 0.000 1.005 134 S CB -0.783 62.572 63.200 0.258 0.000 0.867 134 S HN 0.364 nan 8.310 nan 0.000 0.449 135 F N 1.487 121.480 119.950 0.072 0.000 2.502 135 F HA 0.090 4.617 4.527 -0.000 0.000 0.298 135 F C 2.384 178.153 175.800 -0.053 0.000 1.111 135 F CA 0.599 58.606 58.000 0.012 0.000 1.445 135 F CB -0.133 38.876 39.000 0.015 0.000 1.081 135 F HN 0.066 nan 8.300 nan 0.000 0.558 136 R N -0.616 119.899 120.500 0.025 0.000 2.055 136 R HA -0.078 4.262 4.340 -0.000 0.000 0.226 136 R C 1.822 177.896 176.300 -0.378 0.000 1.135 136 R CA 1.470 57.433 56.100 -0.229 0.000 0.959 136 R CB -0.253 29.809 30.300 -0.397 0.000 0.854 136 R HN 0.257 nan 8.270 nan 0.000 0.431 137 H N -1.228 117.714 119.070 -0.213 0.000 2.654 137 H HA 0.239 4.795 4.556 -0.000 0.000 0.264 137 H C 0.622 175.878 175.328 -0.120 0.000 0.954 137 H CA 0.568 56.491 56.048 -0.208 0.000 1.199 137 H CB 0.699 30.238 29.762 -0.372 0.000 1.446 137 H HN 0.281 nan 8.280 nan 0.000 0.516 138 G N 0.796 109.586 108.800 -0.018 0.000 2.511 138 G HA2 0.434 4.394 3.960 -0.000 0.000 0.316 138 G HA3 0.434 4.394 3.960 -0.000 0.000 0.316 138 G C -0.652 174.188 174.900 -0.099 0.000 1.210 138 G CA -0.334 44.735 45.100 -0.051 0.000 0.969 138 G HN 0.010 nan 8.290 nan 0.000 0.492 139 V N 0.276 120.125 119.914 -0.108 0.000 2.409 139 V HA 0.369 4.489 4.120 -0.000 0.000 0.291 139 V C 0.029 176.028 176.094 -0.158 0.000 1.020 139 V CA -0.646 61.589 62.300 -0.109 0.000 0.848 139 V CB 1.211 32.988 31.823 -0.077 0.000 0.990 139 V HN 0.815 nan 8.190 nan 0.000 0.430 140 Q N 4.428 124.136 119.800 -0.154 0.000 2.243 140 Q HA 0.483 4.823 4.340 -0.000 0.000 0.252 140 Q C -0.619 175.304 176.000 -0.129 0.000 0.909 140 Q CA -0.458 55.249 55.803 -0.160 0.000 0.922 140 Q CB 1.221 29.895 28.738 -0.107 0.000 1.215 140 Q HN 0.693 nan 8.270 nan 0.000 0.427 141 K N 2.058 122.351 120.400 -0.179 0.000 2.280 141 K HA 0.343 4.663 4.320 -0.000 0.000 0.234 141 K C -0.729 175.820 176.600 -0.086 0.000 1.028 141 K CA -1.076 55.084 56.287 -0.212 0.000 0.882 141 K CB 0.979 33.139 32.500 -0.567 0.000 1.194 141 K HN 0.558 nan 8.250 nan 0.000 0.458 142 E N 2.206 122.399 120.200 -0.010 0.000 2.414 142 E HA 0.080 4.430 4.350 -0.000 0.000 0.263 142 E C -2.360 174.335 176.600 0.159 0.000 1.000 142 E CA -1.911 54.544 56.400 0.091 0.000 0.914 142 E CB -0.012 29.766 29.700 0.129 0.000 0.948 142 E HN 0.199 nan 8.360 nan 0.000 0.444 143 P HA -0.093 nan 4.420 nan 0.000 0.264 143 P C -0.525 176.875 177.300 0.168 0.000 1.193 143 P CA 0.403 63.514 63.100 0.019 0.000 0.763 143 P CB 0.092 31.772 31.700 -0.033 0.000 0.810 144 W N -0.054 121.312 121.300 0.112 0.000 2.525 144 W HA -0.264 4.395 4.660 -0.000 0.000 0.288 144 W C 1.522 178.044 176.519 0.006 0.000 1.125 144 W CA 0.835 58.197 57.345 0.028 0.000 0.538 144 W CB -3.003 26.482 29.460 0.042 0.000 2.165 144 W HN 0.670 nan 8.180 nan 0.000 1.258 145 H N -0.717 118.458 119.070 0.174 0.000 2.352 145 H HA 0.319 4.875 4.556 -0.000 0.000 0.299 145 H C 1.541 176.935 175.328 0.110 0.000 1.097 145 H CA 1.817 57.936 56.048 0.118 0.000 1.311 145 H CB -0.295 29.506 29.762 0.066 0.000 1.377 145 H HN 0.282 nan 8.280 nan 0.000 0.504 146 G N -0.647 107.720 108.800 -0.721 0.000 2.323 146 G HA2 0.246 4.206 3.960 -0.000 0.000 0.291 146 G HA3 0.246 4.206 3.960 -0.000 0.000 0.291 146 G C -1.623 172.945 174.900 -0.554 0.000 1.278 146 G CA -0.407 44.440 45.100 -0.422 0.000 0.860 146 G HN 0.277 nan 8.290 nan 0.000 0.504 147 M N 1.374 120.860 119.600 -0.189 0.000 2.144 147 M HA 0.645 5.125 4.480 -0.000 0.000 0.356 147 M C -0.696 175.642 176.300 0.063 0.000 1.217 147 M CA -0.163 55.110 55.300 -0.046 0.000 1.087 147 M CB 0.653 33.277 32.600 0.041 0.000 1.609 147 M HN 0.707 nan 8.290 nan 0.000 0.467 148 E N 4.763 125.052 120.200 0.147 0.000 2.294 148 E HA 0.153 4.503 4.350 -0.000 0.000 0.272 148 E C -1.933 174.797 176.600 0.216 0.000 0.896 148 E CA -0.571 55.959 56.400 0.217 0.000 0.802 148 E CB 1.354 31.230 29.700 0.292 0.000 1.267 148 E HN 0.630 nan 8.360 nan 0.000 0.406 149 Y N 3.323 123.636 120.300 0.021 0.000 2.865 149 Y HA 0.019 4.569 4.550 -0.000 0.000 0.338 149 Y C -0.297 175.676 175.900 0.123 0.000 1.269 149 Y CA 1.120 59.201 58.100 -0.032 0.000 1.585 149 Y CB 0.691 39.059 38.460 -0.153 0.000 1.224 149 Y HN 0.337 nan 8.280 nan 0.000 0.554 150 S N 6.184 121.919 115.700 0.059 0.000 2.566 150 S HA 0.314 4.784 4.470 -0.000 0.000 0.324 150 S C 0.460 175.032 174.600 -0.047 0.000 1.081 150 S CA -0.879 57.336 58.200 0.025 0.000 1.105 150 S CB 0.270 63.501 63.200 0.052 0.000 0.981 150 S HN 0.874 nan 8.310 nan 0.000 0.464 151 N N 3.043 121.695 118.700 -0.080 0.000 2.300 151 N HA -0.075 4.665 4.740 -0.000 0.000 0.179 151 N C 1.311 176.978 175.510 0.262 0.000 1.016 151 N CA 1.279 54.327 53.050 -0.004 0.000 0.876 151 N CB -0.169 38.108 38.487 -0.351 0.000 0.979 151 N HN 0.605 nan 8.380 nan 0.000 0.432 152 T N 0.321 115.017 114.554 0.236 0.000 2.788 152 T HA -0.073 4.277 4.350 -0.000 0.000 0.268 152 T C 2.018 176.773 174.700 0.091 0.000 1.044 152 T CA 1.277 63.534 62.100 0.262 0.000 1.139 152 T CB -0.635 68.348 68.868 0.190 0.000 0.867 152 T HN 0.334 nan 8.240 nan 0.000 0.454 153 G N 0.099 108.911 108.800 0.020 0.000 2.469 153 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.220 153 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.220 153 G C 1.230 176.003 174.900 -0.211 0.000 1.136 153 G CA 0.664 45.690 45.100 -0.123 0.000 0.759 153 G HN 0.498 nan 8.290 nan 0.000 0.562 154 Y N 0.087 120.330 120.300 -0.095 0.000 2.337 154 Y HA 0.026 4.576 4.550 -0.000 0.000 0.293 154 Y C 2.962 178.805 175.900 -0.095 0.000 1.123 154 Y CA 0.541 58.581 58.100 -0.099 0.000 1.201 154 Y CB -0.130 38.283 38.460 -0.079 0.000 1.011 154 Y HN 0.052 nan 8.280 nan 0.000 0.545 155 V N 0.010 119.974 119.914 0.084 0.000 2.343 155 V HA -0.305 3.815 4.120 -0.000 0.000 0.247 155 V C 2.185 178.250 176.094 -0.048 0.000 1.051 155 V CA 1.721 64.030 62.300 0.016 0.000 1.036 155 V CB -0.739 31.101 31.823 0.028 0.000 0.654 155 V HN 0.372 nan 8.190 nan 0.000 0.451 156 L N 0.066 121.218 121.223 -0.118 0.000 2.056 156 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 156 L C 2.760 179.602 176.870 -0.048 0.000 1.078 156 L CA 1.410 56.129 54.840 -0.201 0.000 0.749 156 L CB -0.847 40.943 42.059 -0.448 0.000 0.901 156 L HN 0.342 nan 8.230 nan 0.000 0.433 157 A N 0.576 123.294 122.820 -0.170 0.000 1.908 157 A HA -0.184 4.136 4.320 -0.000 0.000 0.218 157 A C 2.420 179.897 177.584 -0.179 0.000 1.181 157 A CA 1.923 53.818 52.037 -0.237 0.000 0.627 157 A CB -1.384 17.381 19.000 -0.392 0.000 0.818 157 A HN 0.449 nan 8.150 nan 0.000 0.445 158 G N -0.818 107.880 108.800 -0.170 0.000 2.442 158 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.219 158 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.219 158 G C 1.622 176.554 174.900 0.054 0.000 1.141 158 G CA 1.270 46.257 45.100 -0.189 0.000 0.763 158 G HN 0.496 nan 8.290 nan 0.000 0.554 159 M N -0.128 119.534 119.600 0.105 0.000 2.175 159 M HA 0.128 4.608 4.480 -0.000 0.000 0.264 159 M C 2.481 178.840 176.300 0.098 0.000 1.063 159 M CA 0.941 56.372 55.300 0.218 0.000 1.119 159 M CB -0.243 32.592 32.600 0.393 0.000 1.377 159 M HN 0.185 nan 8.290 nan 0.000 0.415 160 I N 0.198 120.707 120.570 -0.103 0.000 2.179 160 I HA -0.302 3.868 4.170 -0.000 0.000 0.242 160 I C 2.230 178.194 176.117 -0.254 0.000 1.088 160 I CA 1.409 62.394 61.300 -0.526 0.000 1.357 160 I CB -0.412 37.031 38.000 -0.928 0.000 1.051 160 I HN 0.248 nan 8.210 nan 0.000 0.409 161 I N 0.893 121.364 120.570 -0.164 0.000 2.142 161 I HA -0.308 3.862 4.170 -0.000 0.000 0.240 161 I C 2.878 178.970 176.117 -0.042 0.000 1.078 161 I CA 1.467 62.686 61.300 -0.134 0.000 1.343 161 I CB -0.579 37.376 38.000 -0.075 0.000 1.046 161 I HN 0.187 nan 8.210 nan 0.000 0.405 162 A N 0.105 122.967 122.820 0.070 0.000 1.892 162 A HA -0.320 4.000 4.320 -0.000 0.000 0.218 162 A C 2.377 180.001 177.584 0.067 0.000 1.188 162 A CA 2.121 54.207 52.037 0.082 0.000 0.631 162 A CB -1.184 17.906 19.000 0.150 0.000 0.822 162 A HN 0.556 nan 8.150 nan 0.000 0.447 163 H N -0.422 118.666 119.070 0.030 0.000 2.321 163 H HA -0.089 4.467 4.556 -0.000 0.000 0.300 163 H C 1.847 177.213 175.328 0.063 0.000 1.087 163 H CA 1.792 57.880 56.048 0.067 0.000 1.319 163 H CB 0.018 29.866 29.762 0.143 0.000 1.379 163 H HN 0.439 nan 8.280 nan 0.000 0.501 164 E N -0.165 120.115 120.200 0.134 0.000 2.150 164 E HA -0.096 4.254 4.350 -0.000 0.000 0.193 164 E C 2.227 178.807 176.600 -0.034 0.000 0.985 164 E CA 1.620 58.070 56.400 0.085 0.000 0.814 164 E CB -0.302 29.455 29.700 0.095 0.000 0.752 164 E HN 0.693 nan 8.360 nan 0.000 0.466 165 T N -3.459 111.054 114.554 -0.067 0.000 3.057 165 T HA 0.244 4.594 4.350 -0.000 0.000 0.254 165 T C 1.582 176.248 174.700 -0.056 0.000 1.094 165 T CA 0.790 62.851 62.100 -0.065 0.000 1.088 165 T CB 0.311 69.130 68.868 -0.082 0.000 0.934 165 T HN 0.221 nan 8.240 nan 0.000 0.497 166 G N 1.288 110.041 108.800 -0.078 0.000 2.155 166 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.257 166 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.257 166 G C -0.084 174.783 174.900 -0.054 0.000 0.983 166 G CA 0.548 45.600 45.100 -0.080 0.000 0.676 166 G HN 0.726 nan 8.290 nan 0.000 0.528 167 K N -0.288 120.081 120.400 -0.052 0.000 2.480 167 K HA 0.557 4.877 4.320 -0.000 0.000 0.258 167 K C -2.857 173.678 176.600 -0.108 0.000 0.990 167 K CA -2.357 53.889 56.287 -0.067 0.000 0.857 167 K CB 2.273 34.745 32.500 -0.047 0.000 1.384 167 K HN -0.095 nan 8.250 nan 0.000 0.446 168 P HA -0.051 nan 4.420 nan 0.000 0.269 168 P C -0.074 177.039 177.300 -0.312 0.000 1.209 168 P CA 0.050 62.870 63.100 -0.468 0.000 0.776 168 P CB 0.109 31.246 31.700 -0.939 0.000 0.876 169 Y N 0.734 120.971 120.300 -0.105 0.000 2.384 169 Y HA -0.221 4.329 4.550 -0.000 0.000 0.289 169 Y C 2.016 177.954 175.900 0.063 0.000 1.152 169 Y CA 1.382 59.497 58.100 0.025 0.000 1.258 169 Y CB -2.032 36.478 38.460 0.084 0.000 0.979 169 Y HN 0.313 nan 8.280 nan 0.000 0.549 170 S N -0.116 115.460 115.700 -0.206 0.000 2.382 170 S HA -0.241 4.229 4.470 -0.000 0.000 0.228 170 S C 1.472 176.074 174.600 0.004 0.000 1.027 170 S CA 1.384 59.575 58.200 -0.015 0.000 0.991 170 S CB -0.656 62.530 63.200 -0.023 0.000 0.823 170 S HN 0.494 nan 8.310 nan 0.000 0.469 171 D N 1.008 121.391 120.400 -0.028 0.000 2.117 171 D HA -0.093 4.547 4.640 -0.000 0.000 0.197 171 D C 1.802 178.111 176.300 0.015 0.000 0.987 171 D CA 1.653 55.651 54.000 -0.003 0.000 0.829 171 D CB -0.704 40.089 40.800 -0.011 0.000 0.961 171 D HN 0.679 nan 8.370 nan 0.000 0.460 172 H N -0.016 119.025 119.070 -0.049 0.000 2.293 172 H HA -0.065 4.490 4.556 -0.000 0.000 0.300 172 H C 1.874 177.132 175.328 -0.116 0.000 1.082 172 H CA 1.134 57.155 56.048 -0.046 0.000 1.308 172 H CB -0.366 29.396 29.762 -0.000 0.000 1.375 172 H HN -0.039 nan 8.280 nan 0.000 0.495 173 L N 0.660 121.787 121.223 -0.160 0.000 2.042 173 L HA -0.137 4.203 4.340 -0.000 0.000 0.210 173 L C 2.726 179.056 176.870 -0.899 0.000 1.076 173 L CA 1.929 56.472 54.840 -0.495 0.000 0.749 173 L CB -0.946 40.871 42.059 -0.404 0.000 0.893 173 L HN 0.310 nan 8.230 nan 0.000 0.432 174 R N -0.681 119.482 120.500 -0.562 0.000 2.057 174 R HA -0.120 4.220 4.340 -0.000 0.000 0.229 174 R C 2.446 178.642 176.300 -0.173 0.000 1.136 174 R CA 1.581 57.489 56.100 -0.319 0.000 0.952 174 R CB -0.119 30.191 30.300 0.016 0.000 0.848 174 R HN 0.500 nan 8.270 nan 0.000 0.430 175 S N -0.197 115.421 115.700 -0.136 0.000 2.436 175 S HA 0.029 4.499 4.470 -0.000 0.000 0.228 175 S C 1.795 176.328 174.600 -0.112 0.000 1.014 175 S CA 0.275 58.427 58.200 -0.080 0.000 0.950 175 S CB 0.037 63.214 63.200 -0.038 0.000 0.784 175 S HN 0.256 nan 8.310 nan 0.000 0.504 176 R N 0.403 120.773 120.500 -0.216 0.000 2.223 176 R HA 0.464 4.804 4.340 -0.000 0.000 0.198 176 R C 1.629 177.845 176.300 -0.139 0.000 0.984 176 R CA 0.551 56.523 56.100 -0.213 0.000 1.018 176 R CB -0.333 29.720 30.300 -0.412 0.000 0.945 176 R HN 0.515 nan 8.270 nan 0.000 0.479 177 I N -1.529 118.933 120.570 -0.180 0.000 3.623 177 I HA 0.052 4.221 4.170 -0.000 0.000 0.253 177 I C 1.328 177.520 176.117 0.124 0.000 1.144 177 I CA 0.112 61.399 61.300 -0.022 0.000 1.461 177 I CB -0.260 37.730 38.000 -0.016 0.000 1.575 177 I HN -0.204 nan 8.210 nan 0.000 0.445 178 F N 2.229 122.195 119.950 0.027 0.000 2.075 178 F HA -0.112 4.415 4.527 -0.000 0.000 0.297 178 F C 2.757 178.543 175.800 -0.022 0.000 1.113 178 F CA 1.287 59.274 58.000 -0.021 0.000 1.218 178 F CB -1.552 37.380 39.000 -0.113 0.000 0.984 178 F HN 0.025 nan 8.300 nan 0.000 0.472 179 A N 0.550 123.461 122.820 0.152 0.000 1.873 179 A HA -0.092 4.228 4.320 -0.000 0.000 0.215 179 A C 0.125 177.747 177.584 0.063 0.000 1.186 179 A CA 1.453 53.537 52.037 0.079 0.000 0.616 179 A CB -2.111 16.916 19.000 0.045 0.000 0.823 179 A HN 0.271 nan 8.150 nan 0.000 0.442 180 P HA -0.105 nan 4.420 nan 0.000 0.218 180 P C 1.011 178.351 177.300 0.067 0.000 1.148 180 P CA 0.869 63.999 63.100 0.050 0.000 0.822 180 P CB -0.076 31.647 31.700 0.039 0.000 0.784 181 L N -2.629 118.656 121.223 0.103 0.000 2.592 181 L HA 0.267 4.607 4.340 -0.000 0.000 0.227 181 L C 1.224 178.147 176.870 0.087 0.000 1.127 181 L CA 0.442 55.350 54.840 0.113 0.000 0.884 181 L CB -0.931 41.238 42.059 0.182 0.000 1.065 181 L HN 0.100 nan 8.230 nan 0.000 0.457 182 G N 1.152 109.993 108.800 0.068 0.000 2.249 182 G HA2 -0.328 3.632 3.960 -0.000 0.000 0.273 182 G HA3 -0.328 3.632 3.960 -0.000 0.000 0.273 182 G C 0.236 175.143 174.900 0.011 0.000 1.036 182 G CA 0.041 45.162 45.100 0.035 0.000 0.824 182 G HN 0.335 nan 8.290 nan 0.000 0.504 183 M N 0.495 120.105 119.600 0.017 0.000 2.557 183 M HA 0.217 4.697 4.480 -0.000 0.000 0.328 183 M C 1.585 177.750 176.300 -0.226 0.000 1.423 183 M CA 0.214 55.466 55.300 -0.080 0.000 1.418 183 M CB 0.421 32.981 32.600 -0.067 0.000 1.381 183 M HN 0.380 nan 8.290 nan 0.000 0.467 184 K N -0.204 120.070 120.400 -0.211 0.000 2.374 184 K HA 0.101 4.421 4.320 -0.000 0.000 0.196 184 K C -0.475 175.844 176.600 -0.469 0.000 1.023 184 K CA 0.278 56.400 56.287 -0.274 0.000 1.103 184 K CB 0.523 32.954 32.500 -0.115 0.000 0.848 184 K HN 0.396 nan 8.250 nan 0.000 0.528 185 D N 1.808 121.917 120.400 -0.485 0.000 2.772 185 D HA 0.127 4.767 4.640 -0.000 0.000 0.272 185 D C -0.855 175.034 176.300 -0.686 0.000 1.314 185 D CA 0.086 53.799 54.000 -0.477 0.000 0.835 185 D CB 1.232 42.005 40.800 -0.046 0.000 1.080 185 D HN 0.016 nan 8.370 nan 0.000 0.482 186 T N 0.319 114.122 114.554 -1.251 0.000 2.928 186 T HA 0.378 4.728 4.350 -0.000 0.000 0.296 186 T C -0.762 173.242 174.700 -1.160 0.000 1.000 186 T CA -0.633 60.864 62.100 -1.004 0.000 0.989 186 T CB 1.806 69.952 68.868 -1.204 0.000 1.005 186 T HN 0.013 nan 8.240 nan 0.000 0.442 187 W N 1.329 122.413 121.300 -0.360 0.000 3.029 187 W HA 0.606 5.266 4.660 -0.000 0.000 0.339 187 W C -1.114 175.359 176.519 -0.075 0.000 1.198 187 W CA -0.939 56.326 57.345 -0.134 0.000 1.148 187 W CB 1.838 31.305 29.460 0.012 0.000 1.451 187 W HN 0.230 nan 8.180 nan 0.000 0.564 188 V N 1.731 121.836 119.914 0.318 0.000 2.293 188 V HA 0.214 4.334 4.120 -0.000 0.000 0.275 188 V C 1.037 177.275 176.094 0.241 0.000 1.021 188 V CA -0.016 62.444 62.300 0.266 0.000 0.815 188 V CB 0.659 32.673 31.823 0.318 0.000 1.025 188 V HN 0.911 nan 8.190 nan 0.000 0.448 189 G N 3.231 112.148 108.800 0.194 0.000 2.462 189 G HA2 -0.192 3.768 3.960 -0.000 0.000 0.220 189 G HA3 -0.192 3.768 3.960 -0.000 0.000 0.220 189 G C 1.344 176.311 174.900 0.113 0.000 1.121 189 G CA 1.506 46.724 45.100 0.198 0.000 0.758 189 G HN 0.619 nan 8.290 nan 0.000 0.559 190 T N -0.229 114.334 114.554 0.016 0.000 2.867 190 T HA -0.024 4.326 4.350 -0.000 0.000 0.268 190 T C 1.733 176.228 174.700 -0.341 0.000 1.057 190 T CA 1.100 63.077 62.100 -0.205 0.000 1.136 190 T CB -0.159 68.505 68.868 -0.341 0.000 0.874 190 T HN 0.432 nan 8.240 nan 0.000 0.466 191 H N 0.074 119.157 119.070 0.022 0.000 3.170 191 H HA 0.409 4.965 4.556 -0.000 0.000 0.264 191 H C 0.206 175.562 175.328 0.047 0.000 1.113 191 H CA 0.022 56.061 56.048 -0.015 0.000 1.194 191 H CB 1.095 30.775 29.762 -0.136 0.000 1.553 191 H HN 0.437 nan 8.280 nan 0.000 0.538 192 E N 0.818 121.138 120.200 0.200 0.000 2.317 192 E HA 0.344 4.693 4.350 -0.000 0.000 0.270 192 E C -0.715 175.986 176.600 0.169 0.000 0.885 192 E CA -0.641 55.894 56.400 0.224 0.000 0.760 192 E CB 2.379 32.295 29.700 0.361 0.000 1.227 192 E HN -0.125 nan 8.360 nan 0.000 0.434 193 T N 2.328 116.924 114.554 0.070 0.000 2.806 193 T HA 0.420 4.769 4.350 -0.000 0.000 0.290 193 T C -0.553 173.967 174.700 -0.300 0.000 0.966 193 T CA -0.434 61.602 62.100 -0.106 0.000 1.060 193 T CB -0.049 68.734 68.868 -0.142 0.000 0.927 193 T HN 0.335 nan 8.240 nan 0.000 0.485 194 F N 2.177 121.792 119.950 -0.559 0.000 2.538 194 F HA 0.725 5.252 4.527 -0.000 0.000 0.325 194 F C -2.532 172.853 175.800 -0.691 0.000 1.066 194 F CA -3.332 53.992 58.000 -1.126 0.000 0.946 194 F CB 0.465 38.869 39.000 -0.993 0.000 1.199 194 F HN 0.207 nan 8.300 nan 0.000 0.473 195 P HA 0.093 nan 4.420 nan 0.000 0.268 195 P C 0.836 177.987 177.300 -0.247 0.000 1.485 195 P CA 0.096 62.962 63.100 -0.388 0.000 1.102 195 P CB 0.785 32.338 31.700 -0.245 0.000 1.501 196 I N 3.554 123.871 120.570 -0.421 0.000 2.399 196 I HA -0.261 3.909 4.170 -0.000 0.000 0.254 196 I C 1.903 177.988 176.117 -0.053 0.000 1.146 196 I CA 1.678 62.833 61.300 -0.243 0.000 1.412 196 I CB -0.381 37.418 38.000 -0.334 0.000 1.076 196 I HN 0.294 nan 8.210 nan 0.000 0.432 197 E N 0.637 120.794 120.200 -0.071 0.000 2.482 197 E HA -0.185 4.164 4.350 -0.000 0.000 0.196 197 E C 1.829 178.445 176.600 0.027 0.000 1.047 197 E CA 0.752 57.141 56.400 -0.019 0.000 0.869 197 E CB -0.398 29.283 29.700 -0.032 0.000 0.836 197 E HN 0.537 nan 8.360 nan 0.000 0.520 198 R N 0.591 121.111 120.500 0.034 0.000 2.334 198 R HA 0.164 4.504 4.340 -0.000 0.000 0.216 198 R C 0.531 176.908 176.300 0.128 0.000 0.905 198 R CA -0.084 56.057 56.100 0.067 0.000 1.064 198 R CB 0.352 30.675 30.300 0.039 0.000 1.046 198 R HN 0.191 nan 8.270 nan 0.000 0.508 199 E N 1.362 121.631 120.200 0.115 0.000 2.289 199 E HA 0.251 4.601 4.350 -0.000 0.000 0.278 199 E C -0.676 175.907 176.600 -0.029 0.000 1.032 199 E CA -0.411 56.027 56.400 0.063 0.000 0.854 199 E CB 0.948 30.747 29.700 0.165 0.000 1.046 199 E HN 0.156 nan 8.360 nan 0.000 0.409 200 A N 5.196 127.849 122.820 -0.279 0.000 2.498 200 A HA 0.091 4.411 4.320 -0.000 0.000 0.239 200 A C 0.058 177.580 177.584 -0.102 0.000 1.068 200 A CA -0.250 51.552 52.037 -0.392 0.000 0.766 200 A CB 0.325 18.819 19.000 -0.844 0.000 1.003 200 A HN 0.599 nan 8.150 nan 0.000 0.497 201 R N 1.159 121.599 120.500 -0.100 0.000 2.594 201 R HA 0.346 4.686 4.340 -0.000 0.000 0.272 201 R C 0.592 176.710 176.300 -0.304 0.000 1.074 201 R CA 0.365 56.329 56.100 -0.227 0.000 1.105 201 R CB 0.117 30.238 30.300 -0.298 0.000 1.008 201 R HN 0.802 nan 8.270 nan 0.000 0.472 202 G N 1.452 109.915 108.800 -0.562 0.000 2.367 202 G HA2 0.506 4.466 3.960 -0.000 0.000 0.314 202 G HA3 0.506 4.466 3.960 -0.000 0.000 0.314 202 G C -1.293 173.141 174.900 -0.777 0.000 1.130 202 G CA -0.326 44.458 45.100 -0.527 0.000 0.864 202 G HN 0.393 nan 8.290 nan 0.000 0.486 203 Y N 1.362 121.618 120.300 -0.074 0.000 2.361 203 Y HA 0.433 4.983 4.550 -0.000 0.000 0.337 203 Y C 0.180 176.019 175.900 -0.102 0.000 0.965 203 Y CA -1.121 56.894 58.100 -0.141 0.000 1.091 203 Y CB 2.271 40.617 38.460 -0.189 0.000 1.182 203 Y HN 0.187 nan 8.280 nan 0.000 0.450 204 M N 4.079 123.677 119.600 -0.003 0.000 2.157 204 M HA 0.247 4.727 4.480 -0.000 0.000 0.354 204 M C -0.494 175.882 176.300 0.126 0.000 1.170 204 M CA -0.260 55.113 55.300 0.121 0.000 1.060 204 M CB 0.456 33.123 32.600 0.112 0.000 1.615 204 M HN 0.665 nan 8.290 nan 0.000 0.460 205 H N 1.785 120.867 119.070 0.020 0.000 2.604 205 H HA 0.418 4.974 4.556 -0.000 0.000 0.306 205 H C -0.042 175.295 175.328 0.016 0.000 1.075 205 H CA -0.513 55.442 56.048 -0.156 0.000 1.357 205 H CB 1.074 30.485 29.762 -0.586 0.000 1.426 205 H HN 0.773 nan 8.280 nan 0.000 0.470 206 A N 3.198 125.994 122.820 -0.040 0.000 2.484 206 A HA 0.508 4.828 4.320 -0.000 0.000 0.268 206 A C 0.154 177.801 177.584 0.105 0.000 1.114 206 A CA 0.342 52.397 52.037 0.030 0.000 0.780 206 A CB -0.221 18.627 19.000 -0.254 0.000 1.061 206 A HN 0.839 nan 8.150 nan 0.000 0.505 221 G N -0.180 108.603 108.800 -0.029 0.000 2.498 221 G HA2 -0.008 3.952 3.960 -0.000 0.000 0.245 221 G HA3 -0.008 3.952 3.960 -0.000 0.000 0.245 221 G C -0.987 174.163 174.900 0.416 0.000 1.204 221 G CA 0.305 45.504 45.100 0.164 0.000 0.933 221 G HN 0.802 nan 8.290 nan 0.000 0.574 222 D N 2.505 123.155 120.400 0.416 0.000 2.362 222 D HA 0.631 5.271 4.640 -0.000 0.000 0.247 222 D C -1.908 174.484 176.300 0.154 0.000 1.050 222 D CA -0.761 53.450 54.000 0.351 0.000 0.839 222 D CB 1.801 42.686 40.800 0.142 0.000 1.283 222 D HN 0.369 nan 8.370 nan 0.000 0.477 223 P HA 0.164 nan 4.420 nan 0.000 0.274 223 P C -0.685 176.432 177.300 -0.304 0.000 1.231 223 P CA -0.425 62.242 63.100 -0.721 0.000 0.790 223 P CB 0.942 32.000 31.700 -1.069 0.000 0.951 224 V N 2.481 122.257 119.914 -0.229 0.000 2.409 224 V HA 0.155 4.275 4.120 -0.000 0.000 0.291 224 V C 0.422 176.496 176.094 -0.034 0.000 1.020 224 V CA -0.026 62.195 62.300 -0.130 0.000 0.848 224 V CB 0.645 32.335 31.823 -0.222 0.000 0.990 224 V HN 0.785 nan 8.190 nan 0.000 0.430 225 D N 4.317 124.689 120.400 -0.046 0.000 2.723 225 D HA -0.168 4.471 4.640 -0.000 0.000 0.236 225 D C 1.189 177.418 176.300 -0.119 0.000 1.138 225 D CA 1.973 55.953 54.000 -0.033 0.000 0.676 225 D CB -1.082 39.751 40.800 0.055 0.000 1.069 225 D HN 1.519 nan 8.370 nan 0.000 0.430 226 G N -2.050 106.638 108.800 -0.186 0.000 2.162 226 G HA2 -0.110 3.850 3.960 -0.000 0.000 0.260 226 G HA3 -0.110 3.850 3.960 -0.000 0.000 0.260 226 G C 0.416 175.058 174.900 -0.430 0.000 0.976 226 G CA 0.819 45.764 45.100 -0.258 0.000 0.655 226 G HN 1.581 nan 8.290 nan 0.000 0.533 227 V N -4.416 115.230 119.914 -0.447 0.000 3.007 227 V HA 0.907 5.027 4.120 -0.000 0.000 0.311 227 V C -0.312 175.594 176.094 -0.313 0.000 1.120 227 V CA -1.941 60.093 62.300 -0.443 0.000 0.980 227 V CB 1.817 33.378 31.823 -0.436 0.000 1.033 227 V HN 0.368 nan 8.190 nan 0.000 0.429 228 W N 0.660 121.989 121.300 0.048 0.000 2.551 228 W HA 0.427 5.087 4.660 -0.000 0.000 0.330 228 W C -0.227 176.287 176.519 -0.009 0.000 1.063 228 W CA -0.393 57.004 57.345 0.088 0.000 1.222 228 W CB 1.740 31.300 29.460 0.167 0.000 1.349 228 W HN 0.758 nan 8.180 nan 0.000 0.536 229 D N 1.533 122.074 120.400 0.235 0.000 2.342 229 D HA 0.004 4.644 4.640 -0.000 0.000 0.260 229 D C 0.975 177.041 176.300 -0.390 0.000 1.278 229 D CA 0.454 54.372 54.000 -0.138 0.000 0.910 229 D CB 0.775 41.568 40.800 -0.012 0.000 1.079 229 D HN 0.294 nan 8.370 nan 0.000 0.496 230 S N 1.286 116.529 115.700 -0.761 0.000 2.568 230 S HA -0.005 4.465 4.470 -0.000 0.000 0.232 230 S C 1.546 175.734 174.600 -0.687 0.000 0.975 230 S CA -0.331 57.059 58.200 -1.350 0.000 0.949 230 S CB 0.248 62.469 63.200 -1.632 0.000 0.829 230 S HN 0.363 nan 8.310 nan 0.000 0.479 231 T N 3.039 117.307 114.554 -0.477 0.000 2.680 231 T HA -0.190 4.160 4.350 -0.000 0.000 0.268 231 T C 1.017 175.640 174.700 -0.127 0.000 1.033 231 T CA 2.071 63.976 62.100 -0.324 0.000 1.152 231 T CB -0.339 68.381 68.868 -0.246 0.000 0.859 231 T HN 0.675 nan 8.240 nan 0.000 0.452 232 E N -1.068 119.111 120.200 -0.033 0.000 2.569 232 E HA 0.091 4.441 4.350 -0.000 0.000 0.205 232 E C 0.817 177.563 176.600 0.244 0.000 1.006 232 E CA -0.453 56.004 56.400 0.094 0.000 0.985 232 E CB 0.216 29.957 29.700 0.069 0.000 1.060 232 E HN 0.448 nan 8.360 nan 0.000 0.460 233 W N 0.507 121.815 121.300 0.014 0.000 2.380 233 W HA -0.036 4.624 4.660 -0.000 0.000 0.317 233 W C 0.855 177.424 176.519 0.084 0.000 1.196 233 W CA 0.329 57.692 57.345 0.030 0.000 1.307 233 W CB -0.597 28.878 29.460 0.024 0.000 1.157 233 W HN 0.028 nan 8.180 nan 0.000 0.483 234 F N 3.823 123.915 119.950 0.237 0.000 2.411 234 F HA 0.363 4.890 4.527 -0.000 0.000 0.355 234 F C -1.814 174.056 175.800 0.116 0.000 1.117 234 F CA -3.207 54.880 58.000 0.146 0.000 1.139 234 F CB 0.594 39.666 39.000 0.121 0.000 1.120 234 F HN -0.336 nan 8.300 nan 0.000 0.493 235 P HA 0.119 nan 4.420 nan 0.000 0.281 235 P C 0.721 177.883 177.300 -0.230 0.000 1.252 235 P CA -0.104 62.867 63.100 -0.215 0.000 0.778 235 P CB 1.454 33.061 31.700 -0.155 0.000 0.895 236 L N 2.431 123.685 121.223 0.051 0.000 2.079 236 L HA -0.225 4.115 4.340 -0.000 0.000 0.210 236 L C 2.614 179.544 176.870 0.100 0.000 1.081 236 L CA 2.204 57.140 54.840 0.159 0.000 0.752 236 L CB -0.977 41.190 42.059 0.179 0.000 0.896 236 L HN 0.453 nan 8.230 nan 0.000 0.433 237 S N -0.069 115.653 115.700 0.037 0.000 2.419 237 S HA -0.146 4.324 4.470 -0.000 0.000 0.235 237 S C 2.051 176.638 174.600 -0.021 0.000 1.019 237 S CA 1.011 59.230 58.200 0.031 0.000 0.982 237 S CB -1.001 62.231 63.200 0.054 0.000 0.789 237 S HN 0.468 nan 8.310 nan 0.000 0.490 238 G N 1.044 109.722 108.800 -0.204 0.000 2.448 238 G HA2 0.137 4.096 3.960 -0.000 0.000 0.219 238 G HA3 0.137 4.096 3.960 -0.000 0.000 0.219 238 G C 1.519 176.348 174.900 -0.119 0.000 1.127 238 G CA 0.670 45.383 45.100 -0.646 0.000 0.766 238 G HN 0.793 nan 8.290 nan 0.000 0.552 239 A N -0.456 122.540 122.820 0.293 0.000 1.984 239 A HA 0.176 4.496 4.320 -0.000 0.000 0.214 239 A C 1.404 179.117 177.584 0.215 0.000 1.173 239 A CA 1.167 53.447 52.037 0.405 0.000 0.673 239 A CB -0.244 19.007 19.000 0.418 0.000 0.830 239 A HN 0.439 nan 8.150 nan 0.000 0.453 240 N N -1.559 117.226 118.700 0.142 0.000 1.202 240 N HA -0.326 4.414 4.740 -0.000 0.000 0.108 240 N C 1.140 176.755 175.510 0.175 0.000 0.816 240 N CA 1.422 54.571 53.050 0.165 0.000 0.848 240 N CB -1.359 37.175 38.487 0.078 0.000 0.972 240 N HN 0.668 nan 8.380 nan 0.000 0.645 241 A N -0.096 122.737 122.820 0.022 0.000 2.216 241 A HA 0.287 4.607 4.320 -0.000 0.000 0.214 241 A C 2.166 179.767 177.584 0.030 0.000 1.160 241 A CA 2.263 54.191 52.037 -0.181 0.000 0.725 241 A CB -0.675 18.034 19.000 -0.485 0.000 0.784 241 A HN 0.818 nan 8.150 nan 0.000 0.472 242 A N -1.449 121.447 122.820 0.127 0.000 2.123 242 A HA 0.430 4.750 4.320 -0.000 0.000 0.214 242 A C 1.421 179.040 177.584 0.058 0.000 1.152 242 A CA 1.200 53.304 52.037 0.113 0.000 0.728 242 A CB -0.161 18.987 19.000 0.246 0.000 0.814 242 A HN 1.277 nan 8.150 nan 0.000 0.464 243 G N 0.266 109.129 108.800 0.105 0.000 0.000 243 G HA2 0.220 4.180 3.960 -0.000 0.000 0.000 243 G HA3 0.220 4.180 3.960 -0.000 0.000 0.000 243 G C -0.130 174.842 174.900 0.120 0.000 0.000 243 G CA 0.520 45.669 45.100 0.083 0.000 0.000 243 G HN 0.339 nan 8.290 nan 0.000 0.000 244 D N -0.321 120.165 120.400 0.143 0.000 2.339 244 D HA 0.170 4.810 4.640 -0.000 0.000 0.217 244 D C 1.058 177.416 176.300 0.097 0.000 1.050 244 D CA -0.298 53.794 54.000 0.154 0.000 0.856 244 D CB 0.097 41.012 40.800 0.191 0.000 0.922 244 D HN 0.337 nan 8.370 nan 0.000 0.518 245 M N 0.573 120.202 119.600 0.049 0.000 2.250 245 M HA 0.311 4.791 4.480 -0.000 0.000 0.344 245 M C -0.709 175.542 176.300 -0.082 0.000 1.150 245 M CA -0.469 54.814 55.300 -0.028 0.000 1.147 245 M CB 2.194 34.717 32.600 -0.127 0.000 1.498 245 M HN -0.255 nan 8.290 nan 0.000 0.461 246 V N 1.770 121.607 119.914 -0.128 0.000 2.540 246 V HA 0.694 4.814 4.120 -0.000 0.000 0.302 246 V C -0.358 175.692 176.094 -0.073 0.000 1.035 246 V CA -0.262 61.938 62.300 -0.167 0.000 0.873 246 V CB 1.850 33.353 31.823 -0.532 0.000 0.992 246 V HN 0.982 nan 8.190 nan 0.000 0.428 247 S N 2.315 118.005 115.700 -0.017 0.000 2.724 247 S HA 0.763 5.233 4.470 -0.000 0.000 0.278 247 S C -0.659 174.000 174.600 0.099 0.000 1.190 247 S CA 0.105 58.288 58.200 -0.028 0.000 0.860 247 S CB 2.195 65.307 63.200 -0.147 0.000 1.206 247 S HN 1.042 nan 8.310 nan 0.000 0.507 248 T N -0.004 114.595 114.554 0.074 0.000 2.908 248 T HA 0.629 4.979 4.350 -0.000 0.000 0.290 248 T C -2.464 172.285 174.700 0.081 0.000 1.034 248 T CA -1.798 60.388 62.100 0.142 0.000 1.010 248 T CB 1.270 70.207 68.868 0.115 0.000 1.068 248 T HN 0.261 nan 8.240 nan 0.000 0.481 249 P HA -0.146 nan 4.420 nan 0.000 0.216 249 P C 1.732 179.063 177.300 0.052 0.000 1.153 249 P CA 0.940 64.055 63.100 0.025 0.000 0.858 249 P CB 0.049 31.745 31.700 -0.008 0.000 0.789 250 R N 0.217 120.748 120.500 0.053 0.000 2.112 250 R HA -0.227 4.113 4.340 -0.000 0.000 0.242 250 R C 1.585 177.919 176.300 0.056 0.000 1.137 250 R CA 2.436 58.563 56.100 0.045 0.000 0.944 250 R CB -1.014 29.306 30.300 0.033 0.000 0.857 250 R HN 0.083 nan 8.270 nan 0.000 0.435 251 D N 0.249 120.676 120.400 0.045 0.000 2.117 251 D HA -0.126 4.514 4.640 -0.000 0.000 0.197 251 D C 1.894 178.279 176.300 0.142 0.000 0.987 251 D CA 0.989 55.016 54.000 0.045 0.000 0.829 251 D CB -0.092 40.676 40.800 -0.054 0.000 0.961 251 D HN 0.218 nan 8.370 nan 0.000 0.460 252 I N 0.402 121.068 120.570 0.159 0.000 2.226 252 I HA -0.180 3.990 4.170 -0.000 0.000 0.245 252 I C 2.372 178.665 176.117 0.293 0.000 1.100 252 I CA 0.722 62.195 61.300 0.288 0.000 1.374 252 I CB -0.939 37.190 38.000 0.215 0.000 1.057 252 I HN -0.038 nan 8.210 nan 0.000 0.413 253 V N 0.968 120.986 119.914 0.172 0.000 2.427 253 V HA -0.249 3.871 4.120 -0.000 0.000 0.248 253 V C 2.475 178.646 176.094 0.129 0.000 1.051 253 V CA 1.449 63.824 62.300 0.126 0.000 1.048 253 V CB -0.599 31.268 31.823 0.074 0.000 0.666 253 V HN 0.406 nan 8.190 nan 0.000 0.456 254 K N -0.539 119.947 120.400 0.144 0.000 2.074 254 K HA -0.253 4.067 4.320 -0.000 0.000 0.209 254 K C 2.087 178.803 176.600 0.195 0.000 1.048 254 K CA 2.184 58.557 56.287 0.143 0.000 0.926 254 K CB -0.423 32.161 32.500 0.139 0.000 0.713 254 K HN 0.489 nan 8.250 nan 0.000 0.444 255 F N 1.886 121.914 119.950 0.131 0.000 2.084 255 F HA -0.133 4.394 4.527 -0.000 0.000 0.296 255 F C 1.820 177.651 175.800 0.052 0.000 1.111 255 F CA 1.249 59.318 58.000 0.116 0.000 1.224 255 F CB -0.375 38.740 39.000 0.192 0.000 0.991 255 F HN -0.127 nan 8.300 nan 0.000 0.471 256 L N 0.392 121.545 121.223 -0.117 0.000 2.042 256 L HA -0.288 4.052 4.340 -0.000 0.000 0.210 256 L C 2.296 179.171 176.870 0.008 0.000 1.076 256 L CA 1.451 56.222 54.840 -0.114 0.000 0.749 256 L CB -0.997 41.123 42.059 0.101 0.000 0.893 256 L HN 0.221 nan 8.230 nan 0.000 0.432 257 N N 0.349 119.057 118.700 0.014 0.000 2.058 257 N HA -0.149 4.591 4.740 -0.000 0.000 0.191 257 N C 1.916 177.422 175.510 -0.007 0.000 1.037 257 N CA 1.655 54.722 53.050 0.029 0.000 0.848 257 N CB -0.488 38.016 38.487 0.030 0.000 1.021 257 N HN 0.304 nan 8.380 nan 0.000 0.422 258 A N 1.101 123.893 122.820 -0.047 0.000 1.883 258 A HA -0.128 4.192 4.320 -0.000 0.000 0.217 258 A C 2.253 179.744 177.584 -0.155 0.000 1.186 258 A CA 1.248 53.246 52.037 -0.065 0.000 0.624 258 A CB -0.867 18.120 19.000 -0.020 0.000 0.822 258 A HN 0.264 nan 8.150 nan 0.000 0.444 259 L N -1.581 119.433 121.223 -0.348 0.000 1.994 259 L HA -0.079 4.261 4.340 -0.000 0.000 0.208 259 L C 2.119 178.726 176.870 -0.438 0.000 1.071 259 L CA 2.089 56.615 54.840 -0.524 0.000 0.745 259 L CB -0.711 40.750 42.059 -0.998 0.000 0.892 259 L HN 0.342 nan 8.230 nan 0.000 0.431 260 F N -0.484 119.351 119.950 -0.192 0.000 2.558 260 F HA -0.032 4.495 4.527 -0.000 0.000 0.298 260 F C 1.807 177.563 175.800 -0.073 0.000 1.119 260 F CA 0.666 58.597 58.000 -0.115 0.000 1.451 260 F CB -0.377 38.560 39.000 -0.104 0.000 1.091 260 F HN 0.147 nan 8.300 nan 0.000 0.563 261 D N -0.349 120.090 120.400 0.063 0.000 2.349 261 D HA 0.115 4.755 4.640 -0.000 0.000 0.224 261 D C 1.956 178.257 176.300 0.002 0.000 1.029 261 D CA 0.918 54.938 54.000 0.033 0.000 0.879 261 D CB -0.216 40.597 40.800 0.021 0.000 0.906 261 D HN 0.282 nan 8.370 nan 0.000 0.528 262 G N 1.310 110.092 108.800 -0.029 0.000 2.153 262 G HA2 -0.379 3.581 3.960 -0.000 0.000 0.252 262 G HA3 -0.379 3.581 3.960 -0.000 0.000 0.252 262 G C 1.119 176.000 174.900 -0.031 0.000 0.994 262 G CA 0.053 45.132 45.100 -0.035 0.000 0.698 262 G HN 0.361 nan 8.290 nan 0.000 0.521 263 R N -0.831 119.647 120.500 -0.037 0.000 2.310 263 R HA 0.405 4.745 4.340 -0.000 0.000 0.202 263 R C 2.050 178.338 176.300 -0.020 0.000 0.933 263 R CA 0.825 56.913 56.100 -0.020 0.000 1.054 263 R CB 0.093 30.388 30.300 -0.008 0.000 0.985 263 R HN 0.585 nan 8.270 nan 0.000 0.489 264 I N -0.465 120.079 120.570 -0.042 0.000 3.632 264 I HA 0.076 4.246 4.170 -0.000 0.000 0.246 264 I C 0.485 176.593 176.117 -0.016 0.000 1.125 264 I CA -0.003 61.284 61.300 -0.022 0.000 1.519 264 I CB 0.240 38.227 38.000 -0.022 0.000 1.555 264 I HN -0.103 nan 8.210 nan 0.000 0.452 265 L N 1.967 123.165 121.223 -0.042 0.000 2.343 265 L HA 0.254 4.594 4.340 -0.000 0.000 0.275 265 L C -0.557 176.295 176.870 -0.029 0.000 1.056 265 L CA -0.883 53.943 54.840 -0.025 0.000 0.804 265 L CB 0.841 42.871 42.059 -0.049 0.000 1.203 265 L HN 0.287 nan 8.230 nan 0.000 0.440 266 D N 0.248 120.642 120.400 -0.009 0.000 2.393 266 D HA -0.065 4.575 4.640 -0.000 0.000 0.246 266 D C 0.660 176.955 176.300 -0.008 0.000 1.275 266 D CA -0.253 53.743 54.000 -0.007 0.000 0.979 266 D CB 0.549 41.350 40.800 0.002 0.000 1.101 266 D HN 0.546 nan 8.370 nan 0.000 0.505 267 Q N -0.922 118.878 119.800 -0.001 0.000 2.084 267 Q HA -0.220 4.120 4.340 -0.000 0.000 0.202 267 Q C 1.605 177.633 176.000 0.048 0.000 0.978 267 Q CA 1.387 57.200 55.803 0.016 0.000 0.844 267 Q CB -0.016 28.723 28.738 0.001 0.000 0.898 267 Q HN 0.338 nan 8.270 nan 0.000 0.426 268 K N 0.420 120.831 120.400 0.019 0.000 2.057 268 K HA -0.125 4.195 4.320 -0.000 0.000 0.206 268 K C 1.899 178.562 176.600 0.104 0.000 1.050 268 K CA 1.326 57.640 56.287 0.044 0.000 0.935 268 K CB -0.024 32.469 32.500 -0.011 0.000 0.715 268 K HN -0.011 nan 8.250 nan 0.000 0.439 269 R N -0.066 120.438 120.500 0.007 0.000 2.090 269 R HA 0.055 4.395 4.340 -0.000 0.000 0.228 269 R C 2.060 178.230 176.300 -0.217 0.000 1.110 269 R CA 0.736 56.758 56.100 -0.128 0.000 0.973 269 R CB -0.788 29.464 30.300 -0.080 0.000 0.869 269 R HN 0.222 nan 8.270 nan 0.000 0.440 270 L N -0.690 120.478 121.223 -0.092 0.000 2.017 270 L HA -0.105 4.235 4.340 -0.000 0.000 0.208 270 L C 1.874 178.732 176.870 -0.020 0.000 1.073 270 L CA 1.688 56.464 54.840 -0.107 0.000 0.745 270 L CB -0.717 41.288 42.059 -0.091 0.000 0.894 270 L HN 0.317 nan 8.230 nan 0.000 0.432 271 W N 0.715 121.957 121.300 -0.098 0.000 2.335 271 W HA -0.217 4.443 4.660 -0.000 0.000 0.311 271 W C 2.348 178.847 176.519 -0.033 0.000 1.213 271 W CA 1.983 59.302 57.345 -0.043 0.000 1.274 271 W CB -0.046 29.396 29.460 -0.031 0.000 1.148 271 W HN 0.143 nan 8.180 nan 0.000 0.498 272 E N 0.009 120.261 120.200 0.087 0.000 2.097 272 E HA -0.307 4.043 4.350 -0.000 0.000 0.196 272 E C 2.156 178.686 176.600 -0.115 0.000 1.000 272 E CA 1.999 58.306 56.400 -0.154 0.000 0.804 272 E CB -0.916 28.704 29.700 -0.133 0.000 0.740 272 E HN 0.474 nan 8.360 nan 0.000 0.454 273 M N 0.428 119.918 119.600 -0.183 0.000 2.099 273 M HA -0.193 4.287 4.480 -0.000 0.000 0.262 273 M C 2.213 178.505 176.300 -0.013 0.000 1.067 273 M CA 1.852 57.129 55.300 -0.038 0.000 1.124 273 M CB 0.044 32.576 32.600 -0.114 0.000 1.353 273 M HN -0.021 nan 8.290 nan 0.000 0.410 274 K N -2.689 117.661 120.400 -0.083 0.000 2.370 274 K HA 0.066 4.386 4.320 -0.000 0.000 0.194 274 K C 0.548 177.082 176.600 -0.110 0.000 1.070 274 K CA 0.629 56.901 56.287 -0.026 0.000 0.998 274 K CB 0.402 32.950 32.500 0.081 0.000 0.911 274 K HN 0.153 nan 8.250 nan 0.000 0.533 275 D N 0.534 120.738 120.400 -0.327 0.000 2.469 275 D HA -0.016 4.624 4.640 -0.000 0.000 0.240 275 D C -0.205 175.701 176.300 -0.656 0.000 1.087 275 D CA 0.152 53.880 54.000 -0.454 0.000 0.876 275 D CB 0.176 40.681 40.800 -0.492 0.000 1.160 275 D HN 0.058 nan 8.370 nan 0.000 0.497 276 N N 1.887 120.017 118.700 -0.950 0.000 2.671 276 N HA 0.102 4.842 4.740 -0.000 0.000 0.274 276 N C -0.318 175.079 175.510 -0.188 0.000 1.188 276 N CA 0.015 52.661 53.050 -0.673 0.000 1.065 276 N CB -0.618 37.391 38.487 -0.797 0.000 1.415 276 N HN 0.262 nan 8.380 nan 0.000 0.511 277 I N -1.649 118.836 120.570 -0.142 0.000 2.910 277 I HA 0.673 4.843 4.170 -0.000 0.000 0.310 277 I C -0.409 175.693 176.117 -0.025 0.000 1.043 277 I CA -0.902 60.352 61.300 -0.078 0.000 1.053 277 I CB 2.029 39.988 38.000 -0.069 0.000 1.242 277 I HN -0.062 nan 8.210 nan 0.000 0.452 278 K N 2.383 122.775 120.400 -0.013 0.000 2.536 278 K HA 0.523 4.843 4.320 -0.000 0.000 0.269 278 K C -2.825 173.783 176.600 0.013 0.000 0.965 278 K CA -1.678 54.618 56.287 0.014 0.000 0.860 278 K CB 2.309 34.835 32.500 0.043 0.000 1.423 278 K HN 0.343 nan 8.250 nan 0.000 0.438 279 P HA 0.039 nan 4.420 nan 0.000 0.267 279 P C -1.489 175.833 177.300 0.037 0.000 1.201 279 P CA 0.009 63.121 63.100 0.020 0.000 0.775 279 P CB 0.605 32.316 31.700 0.018 0.000 0.854 280 A N 2.205 125.053 122.820 0.046 0.000 2.547 280 A HA 0.673 4.993 4.320 -0.000 0.000 0.297 280 A C -1.857 175.795 177.584 0.114 0.000 1.056 280 A CA -0.412 51.666 52.037 0.068 0.000 0.688 280 A CB 0.955 19.975 19.000 0.033 0.000 1.282 280 A HN 0.417 nan 8.150 nan 0.000 0.400 281 F N 1.719 121.642 119.950 -0.044 0.000 2.507 281 F HA 0.791 5.318 4.527 -0.000 0.000 0.325 281 F C -1.531 174.212 175.800 -0.095 0.000 1.116 281 F CA -1.460 56.493 58.000 -0.078 0.000 0.930 281 F CB 1.418 40.359 39.000 -0.098 0.000 1.146 281 F HN 0.530 nan 8.300 nan 0.000 0.447 282 F N 8.591 127.887 119.950 -1.091 0.000 2.557 282 F HA 0.593 5.120 4.527 -0.000 0.000 0.316 282 F C -2.627 172.320 175.800 -1.422 0.000 1.141 282 F CA -2.342 54.922 58.000 -1.227 0.000 0.922 282 F CB 2.078 40.566 39.000 -0.852 0.000 1.194 282 F HN 0.306 nan 8.300 nan 0.000 0.443 283 P HA 0.244 nan 4.420 nan 0.000 0.280 283 P C -0.373 176.558 177.300 -0.615 0.000 1.244 283 P CA -0.189 62.229 63.100 -1.137 0.000 0.784 283 P CB 1.524 32.375 31.700 -1.415 0.000 0.913 284 G N 1.575 110.296 108.800 -0.131 0.000 4.699 284 G HA2 0.285 4.245 3.960 -0.000 0.000 0.308 284 G HA3 0.285 4.245 3.960 -0.000 0.000 0.308 284 G C 0.479 175.347 174.900 -0.054 0.000 1.399 284 G CA -0.245 44.801 45.100 -0.090 0.000 1.221 284 G HN 0.575 nan 8.290 nan 0.000 0.596 285 S N 0.066 115.710 115.700 -0.093 0.000 2.640 285 S HA 0.194 4.664 4.470 -0.000 0.000 0.262 285 S C 0.819 175.328 174.600 -0.152 0.000 1.232 285 S CA -0.536 57.594 58.200 -0.117 0.000 0.988 285 S CB 0.944 64.036 63.200 -0.180 0.000 1.034 285 S HN 0.089 nan 8.310 nan 0.000 0.569 286 N N 0.278 118.850 118.700 -0.213 0.000 2.251 286 N HA 0.206 4.946 4.740 -0.000 0.000 0.217 286 N C -0.695 174.666 175.510 -0.248 0.000 1.124 286 N CA -0.007 52.869 53.050 -0.289 0.000 0.843 286 N CB -0.024 38.110 38.487 -0.588 0.000 1.024 286 N HN 0.552 nan 8.380 nan 0.000 0.501 287 T N 0.292 114.730 114.554 -0.194 0.000 2.888 287 T HA 0.118 4.468 4.350 -0.000 0.000 0.301 287 T C 1.695 176.341 174.700 -0.090 0.000 1.001 287 T CA -0.099 61.907 62.100 -0.156 0.000 1.147 287 T CB 1.219 69.981 68.868 -0.176 0.000 0.931 287 T HN 0.121 nan 8.240 nan 0.000 0.541 288 V N 0.023 119.893 119.914 -0.073 0.000 3.572 288 V HA 0.791 4.911 4.120 -0.000 0.000 0.260 288 V C 0.433 176.517 176.094 -0.015 0.000 1.324 288 V CA 0.380 62.661 62.300 -0.033 0.000 1.068 288 V CB -0.444 31.353 31.823 -0.044 0.000 0.837 288 V HN 0.991 nan 8.190 nan 0.000 0.450 289 A N 1.378 124.181 122.820 -0.028 0.000 2.586 289 A HA 0.758 5.078 4.320 -0.000 0.000 0.290 289 A C -1.418 176.153 177.584 -0.022 0.000 1.086 289 A CA -0.152 51.876 52.037 -0.016 0.000 0.665 289 A CB 1.267 20.257 19.000 -0.017 0.000 1.279 289 A HN 0.669 nan 8.150 nan 0.000 0.423 290 N N 0.149 118.844 118.700 -0.008 0.000 2.331 290 N HA 0.584 5.324 4.740 -0.000 0.000 0.280 290 N C 0.018 175.505 175.510 -0.039 0.000 1.155 290 N CA 0.034 53.086 53.050 0.002 0.000 0.822 290 N CB 1.826 40.360 38.487 0.078 0.000 1.619 290 N HN 0.934 nan 8.380 nan 0.000 0.476 291 G N 0.128 108.905 108.800 -0.038 0.000 3.182 291 G HA2 0.215 4.175 3.960 -0.000 0.000 0.167 291 G HA3 0.215 4.175 3.960 -0.000 0.000 0.167 291 G C -0.765 173.996 174.900 -0.231 0.000 1.537 291 G CA -0.079 44.963 45.100 -0.096 0.000 1.046 291 G HN 0.682 nan 8.290 nan 0.000 0.580 292 H N -0.873 118.249 119.070 0.088 0.000 2.328 292 H HA 0.496 5.052 4.556 -0.000 0.000 0.230 292 H C 0.797 176.293 175.328 0.280 0.000 1.481 292 H CA 0.203 56.354 56.048 0.172 0.000 1.306 292 H CB 0.586 30.481 29.762 0.222 0.000 1.531 292 H HN 0.868 nan 8.280 nan 0.000 0.533 293 G N 0.614 109.608 108.800 0.323 0.000 2.260 293 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.179 293 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.179 293 G C -0.343 174.751 174.900 0.323 0.000 1.002 293 G CA -0.552 44.772 45.100 0.373 0.000 0.677 293 G HN 0.367 nan 8.290 nan 0.000 0.486 294 L N 1.119 122.481 121.223 0.231 0.000 2.381 294 L HA 0.723 5.063 4.340 -0.000 0.000 0.268 294 L C 0.137 177.043 176.870 0.060 0.000 0.997 294 L CA -1.111 53.835 54.840 0.177 0.000 0.818 294 L CB 2.105 44.259 42.059 0.159 0.000 1.310 294 L HN -0.003 nan 8.230 nan 0.000 0.416 295 L N 3.487 124.673 121.223 -0.062 0.000 2.322 295 L HA 0.523 4.863 4.340 -0.000 0.000 0.279 295 L C -0.575 176.258 176.870 -0.062 0.000 1.036 295 L CA -0.721 54.040 54.840 -0.131 0.000 0.807 295 L CB 1.381 43.241 42.059 -0.331 0.000 1.226 295 L HN 0.379 nan 8.230 nan 0.000 0.433 296 L N 3.951 125.141 121.223 -0.054 0.000 2.257 296 L HA 0.500 4.840 4.340 -0.000 0.000 0.290 296 L C -0.430 176.397 176.870 -0.072 0.000 1.044 296 L CA -0.093 54.722 54.840 -0.041 0.000 0.810 296 L CB 0.988 43.029 42.059 -0.031 0.000 1.193 296 L HN 0.614 nan 8.230 nan 0.000 0.425 297 M N 3.964 123.528 119.600 -0.060 0.000 2.134 297 M HA 0.439 4.919 4.480 -0.000 0.000 0.310 297 M C -0.467 175.720 176.300 -0.189 0.000 0.966 297 M CA -0.452 54.767 55.300 -0.135 0.000 0.922 297 M CB 2.639 35.210 32.600 -0.048 0.000 1.537 297 M HN 0.441 nan 8.290 nan 0.000 0.424 298 R N 1.786 122.088 120.500 -0.329 0.000 2.349 298 R HA 0.406 4.746 4.340 -0.000 0.000 0.299 298 R C -1.705 174.282 176.300 -0.522 0.000 1.027 298 R CA -0.001 55.937 56.100 -0.269 0.000 0.958 298 R CB 0.765 30.966 30.300 -0.165 0.000 1.047 298 R HN 0.565 nan 8.270 nan 0.000 0.468 299 Y N 4.199 124.468 120.300 -0.052 0.000 2.705 299 Y HA 0.279 4.829 4.550 -0.000 0.000 0.355 299 Y C 0.995 176.867 175.900 -0.045 0.000 1.039 299 Y CA 0.222 58.290 58.100 -0.052 0.000 1.233 299 Y CB 1.462 39.884 38.460 -0.064 0.000 1.103 299 Y HN 1.032 nan 8.280 nan 0.000 0.624 300 G N 1.394 110.213 108.800 0.032 0.000 2.596 300 G HA2 -0.425 3.535 3.960 -0.000 0.000 0.304 300 G HA3 -0.425 3.535 3.960 -0.000 0.000 0.304 300 G C 1.451 176.357 174.900 0.010 0.000 1.189 300 G CA 0.870 45.980 45.100 0.016 0.000 0.986 300 G HN 0.887 nan 8.290 nan 0.000 0.548 301 S N -0.196 115.511 115.700 0.012 0.000 2.562 301 S HA 0.488 4.958 4.470 -0.000 0.000 0.221 301 S C 1.090 175.696 174.600 0.009 0.000 0.975 301 S CA 1.333 59.536 58.200 0.004 0.000 0.918 301 S CB 0.103 63.302 63.200 -0.002 0.000 0.772 301 S HN 0.970 nan 8.310 nan 0.000 0.531 302 S N 1.044 116.763 115.700 0.032 0.000 2.690 302 S HA 0.611 5.081 4.470 -0.000 0.000 0.291 302 S C -0.625 174.020 174.600 0.075 0.000 1.138 302 S CA -0.761 57.462 58.200 0.038 0.000 1.013 302 S CB 1.591 64.808 63.200 0.028 0.000 1.053 302 S HN 0.572 nan 8.310 nan 0.000 0.539 303 E N 1.080 121.316 120.200 0.060 0.000 2.321 303 E HA 0.396 4.746 4.350 -0.000 0.000 0.281 303 E C -1.844 174.785 176.600 0.049 0.000 0.910 303 E CA -0.415 56.028 56.400 0.071 0.000 0.770 303 E CB 0.997 30.703 29.700 0.010 0.000 1.225 303 E HN 0.467 nan 8.360 nan 0.000 0.417 304 L N 3.654 124.941 121.223 0.106 0.000 2.317 304 L HA 0.499 4.839 4.340 -0.000 0.000 0.281 304 L C -0.013 176.860 176.870 0.005 0.000 1.024 304 L CA -0.913 53.940 54.840 0.023 0.000 0.810 304 L CB 1.433 43.521 42.059 0.047 0.000 1.240 304 L HN 0.284 nan 8.230 nan 0.000 0.427 305 K N 2.830 123.203 120.400 -0.045 0.000 2.292 305 K HA 0.593 4.913 4.320 -0.000 0.000 0.270 305 K C 0.049 176.719 176.600 0.118 0.000 1.062 305 K CA -0.114 56.199 56.287 0.044 0.000 0.916 305 K CB 1.863 34.417 32.500 0.090 0.000 1.166 305 K HN 0.931 nan 8.250 nan 0.000 0.458 306 G N 1.674 110.545 108.800 0.119 0.000 2.927 306 G HA2 0.114 4.074 3.960 -0.000 0.000 0.111 306 G HA3 0.114 4.074 3.960 -0.000 0.000 0.111 306 G C -1.232 173.760 174.900 0.154 0.000 1.198 306 G CA -0.171 45.033 45.100 0.173 0.000 1.382 306 G HN 0.534 nan 8.290 nan 0.000 0.663 307 H N -0.973 118.118 119.070 0.036 0.000 3.024 307 H HA 0.504 5.060 4.556 -0.000 0.000 0.324 307 H C -1.391 173.889 175.328 -0.080 0.000 1.347 307 H CA -0.166 55.870 56.048 -0.021 0.000 1.182 307 H CB 1.770 31.539 29.762 0.011 0.000 1.889 307 H HN 0.717 nan 8.280 nan 0.000 0.528 308 L N 0.043 121.274 121.223 0.013 0.000 2.322 308 L HA 0.934 5.274 4.340 -0.000 0.000 0.269 308 L C 0.227 177.051 176.870 -0.076 0.000 1.012 308 L CA -0.684 54.090 54.840 -0.110 0.000 0.815 308 L CB 1.879 43.733 42.059 -0.342 0.000 1.295 308 L HN 0.610 nan 8.230 nan 0.000 0.438 309 G N 0.654 109.392 108.800 -0.102 0.000 2.643 309 G HA2 0.663 4.623 3.960 -0.000 0.000 0.305 309 G HA3 0.663 4.623 3.960 -0.000 0.000 0.305 309 G C -1.499 173.364 174.900 -0.062 0.000 1.387 309 G CA -0.494 44.558 45.100 -0.079 0.000 0.982 309 G HN 0.617 nan 8.290 nan 0.000 0.501 310 Q N 1.161 120.940 119.800 -0.035 0.000 2.290 310 Q HA 0.603 4.943 4.340 -0.000 0.000 0.269 310 Q C -1.204 174.799 176.000 0.005 0.000 1.016 310 Q CA -0.449 55.372 55.803 0.030 0.000 0.754 310 Q CB 2.995 31.806 28.738 0.121 0.000 1.247 310 Q HN 0.559 nan 8.270 nan 0.000 0.451 311 I N 2.314 122.887 120.570 0.006 0.000 2.802 311 I HA 0.422 4.592 4.170 -0.000 0.000 0.298 311 I C -2.554 173.551 176.117 -0.020 0.000 1.176 311 I CA -2.717 58.552 61.300 -0.053 0.000 1.025 311 I CB 2.745 40.727 38.000 -0.030 0.000 1.243 311 I HN 0.374 nan 8.210 nan 0.000 0.424 312 P HA 0.074 nan 4.420 nan 0.000 0.253 312 P C 0.490 177.694 177.300 -0.160 0.000 1.159 312 P CA 1.422 64.494 63.100 -0.047 0.000 0.779 312 P CB 0.053 31.771 31.700 0.031 0.000 0.745 313 G N 2.356 111.107 108.800 -0.082 0.000 2.241 313 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.244 313 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.244 313 G C -0.001 174.995 174.900 0.160 0.000 0.998 313 G CA -0.304 44.761 45.100 -0.059 0.000 0.621 313 G HN 0.661 nan 8.290 nan 0.000 0.519 314 H N 0.835 119.937 119.070 0.054 0.000 2.539 314 H HA 0.559 5.115 4.556 -0.000 0.000 0.332 314 H C -0.800 174.562 175.328 0.056 0.000 1.031 314 H CA -0.237 55.881 56.048 0.116 0.000 1.206 314 H CB 1.598 31.465 29.762 0.175 0.000 1.446 314 H HN 0.139 nan 8.280 nan 0.000 0.496 315 T N 2.669 117.302 114.554 0.132 0.000 2.840 315 T HA 0.298 4.648 4.350 -0.000 0.000 0.287 315 T C -0.422 174.249 174.700 -0.048 0.000 0.991 315 T CA -0.953 61.170 62.100 0.038 0.000 0.964 315 T CB 1.132 70.024 68.868 0.040 0.000 0.954 315 T HN 0.624 nan 8.240 nan 0.000 0.438 316 S N 3.059 118.722 115.700 -0.063 0.000 2.542 316 S HA 0.836 5.306 4.470 -0.000 0.000 0.293 316 S C -0.970 173.582 174.600 -0.080 0.000 1.089 316 S CA -0.973 57.166 58.200 -0.102 0.000 0.961 316 S CB 1.326 64.468 63.200 -0.097 0.000 1.062 316 S HN 0.501 nan 8.310 nan 0.000 0.483 317 I N 3.261 123.779 120.570 -0.086 0.000 2.478 317 I HA 0.400 4.569 4.170 -0.000 0.000 0.287 317 I C -0.344 175.743 176.117 -0.050 0.000 1.042 317 I CA -0.701 60.564 61.300 -0.059 0.000 1.067 317 I CB 1.552 39.508 38.000 -0.074 0.000 1.233 317 I HN 1.013 nan 8.210 nan 0.000 0.431 318 M N 4.995 124.599 119.600 0.008 0.000 2.602 318 M HA 1.003 5.483 4.480 -0.000 0.000 0.312 318 M C -0.350 175.978 176.300 0.047 0.000 1.181 318 M CA -0.271 55.050 55.300 0.035 0.000 0.910 318 M CB 3.061 35.725 32.600 0.107 0.000 1.723 318 M HN 0.552 nan 8.290 nan 0.000 0.459 319 G N 1.280 110.092 108.800 0.020 0.000 2.338 319 G HA2 0.453 4.413 3.960 -0.000 0.000 0.295 319 G HA3 0.453 4.413 3.960 -0.000 0.000 0.295 319 G C -2.501 172.332 174.900 -0.113 0.000 1.461 319 G CA -1.188 43.911 45.100 -0.003 0.000 0.817 319 G HN 0.972 nan 8.290 nan 0.000 0.556 320 R N 0.324 120.656 120.500 -0.279 0.000 2.514 320 R HA 0.553 4.893 4.340 -0.000 0.000 0.301 320 R C -1.169 174.896 176.300 -0.392 0.000 0.962 320 R CA -0.673 55.136 56.100 -0.484 0.000 0.882 320 R CB 1.590 31.179 30.300 -1.184 0.000 1.143 320 R HN 0.406 nan 8.270 nan 0.000 0.452 321 D N 3.268 123.505 120.400 -0.272 0.000 2.411 321 D HA 0.048 4.688 4.640 -0.000 0.000 0.225 321 D C -0.007 176.172 176.300 -0.201 0.000 1.156 321 D CA 0.099 53.986 54.000 -0.189 0.000 0.874 321 D CB 1.037 41.761 40.800 -0.128 0.000 1.034 321 D HN 0.683 nan 8.370 nan 0.000 0.502 322 E N 2.175 122.256 120.200 -0.198 0.000 2.268 322 E HA -0.144 4.206 4.350 -0.000 0.000 0.195 322 E C 1.091 177.643 176.600 -0.080 0.000 0.995 322 E CA 0.741 57.050 56.400 -0.151 0.000 0.836 322 E CB 0.461 30.102 29.700 -0.098 0.000 0.763 322 E HN 0.633 nan 8.360 nan 0.000 0.491 323 E N -0.112 120.048 120.200 -0.066 0.000 2.072 323 E HA -0.115 4.235 4.350 -0.000 0.000 0.190 323 E C 2.163 178.736 176.600 -0.044 0.000 0.982 323 E CA 1.649 58.024 56.400 -0.042 0.000 0.803 323 E CB 0.074 29.754 29.700 -0.033 0.000 0.755 323 E HN 0.267 nan 8.360 nan 0.000 0.453 324 T N -3.628 110.891 114.554 -0.059 0.000 3.014 324 T HA 0.246 4.596 4.350 -0.000 0.000 0.250 324 T C 1.603 176.267 174.700 -0.060 0.000 1.060 324 T CA 0.525 62.593 62.100 -0.053 0.000 1.040 324 T CB 0.725 69.560 68.868 -0.056 0.000 0.971 324 T HN 0.262 nan 8.240 nan 0.000 0.497 325 G N 1.695 110.444 108.800 -0.085 0.000 2.168 325 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.263 325 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.263 325 G C 0.357 175.200 174.900 -0.094 0.000 0.977 325 G CA 0.092 45.137 45.100 -0.091 0.000 0.659 325 G HN 1.242 nan 8.290 nan 0.000 0.533 326 A N -0.333 122.429 122.820 -0.097 0.000 2.445 326 A HA 0.813 5.133 4.320 -0.000 0.000 0.242 326 A C 0.690 178.201 177.584 -0.122 0.000 1.075 326 A CA 1.180 53.163 52.037 -0.091 0.000 0.777 326 A CB 0.705 19.654 19.000 -0.086 0.000 1.013 326 A HN 2.174 nan 8.150 nan 0.000 0.493 327 A N 1.537 124.304 122.820 -0.088 0.000 2.422 327 A HA 0.704 5.024 4.320 -0.000 0.000 0.302 327 A C -0.792 176.763 177.584 -0.048 0.000 1.041 327 A CA -0.445 51.541 52.037 -0.084 0.000 0.708 327 A CB 0.964 19.933 19.000 -0.050 0.000 1.257 327 A HN 2.063 nan 8.150 nan 0.000 0.414 328 L N -0.230 120.961 121.223 -0.052 0.000 2.415 328 L HA 1.039 5.379 4.340 -0.000 0.000 0.256 328 L C -0.882 175.972 176.870 -0.027 0.000 1.010 328 L CA -0.879 53.935 54.840 -0.044 0.000 0.826 328 L CB 2.064 44.069 42.059 -0.090 0.000 1.405 328 L HN 0.678 nan 8.230 nan 0.000 0.410 329 M N 2.976 122.562 119.600 -0.024 0.000 2.165 329 M HA 0.670 5.150 4.480 -0.000 0.000 0.283 329 M C -2.292 173.956 176.300 -0.088 0.000 0.978 329 M CA -0.569 54.708 55.300 -0.037 0.000 0.948 329 M CB 1.718 34.320 32.600 0.004 0.000 1.599 329 M HN 0.802 nan 8.290 nan 0.000 0.450 330 L N 6.581 127.726 121.223 -0.131 0.000 2.333 330 L HA 0.814 5.154 4.340 -0.000 0.000 0.280 330 L C -1.790 174.938 176.870 -0.237 0.000 1.004 330 L CA -0.376 54.361 54.840 -0.171 0.000 0.820 330 L CB 0.991 42.947 42.059 -0.171 0.000 1.247 330 L HN 0.835 nan 8.230 nan 0.000 0.416 331 I N 4.794 125.145 120.570 -0.366 0.000 2.533 331 I HA 0.360 4.530 4.170 -0.000 0.000 0.290 331 I C -0.799 175.048 176.117 -0.449 0.000 1.056 331 I CA -0.627 60.347 61.300 -0.543 0.000 1.057 331 I CB 2.029 39.374 38.000 -1.091 0.000 1.240 331 I HN 0.606 nan 8.210 nan 0.000 0.423 332 Q N 4.435 124.116 119.800 -0.199 0.000 2.274 332 Q HA 0.395 4.735 4.340 -0.000 0.000 0.260 332 Q C -0.586 175.506 176.000 0.153 0.000 0.974 332 Q CA -0.890 54.919 55.803 0.010 0.000 0.876 332 Q CB 1.771 30.560 28.738 0.085 0.000 1.297 332 Q HN 0.665 nan 8.270 nan 0.000 0.446 333 N N 1.007 119.898 118.700 0.318 0.000 2.466 333 N HA 0.083 4.823 4.740 -0.000 0.000 0.251 333 N C -1.108 174.649 175.510 0.411 0.000 1.164 333 N CA -0.310 53.014 53.050 0.455 0.000 0.888 333 N CB 0.646 39.408 38.487 0.458 0.000 1.177 333 N HN 0.329 nan 8.380 nan 0.000 0.498 334 S N -1.075 114.814 115.700 0.315 0.000 2.513 334 S HA 0.875 5.345 4.470 -0.000 0.000 0.299 334 S C 0.008 174.750 174.600 0.237 0.000 1.087 334 S CA -0.614 57.785 58.200 0.332 0.000 1.012 334 S CB 1.891 65.250 63.200 0.264 0.000 1.044 334 S HN 0.589 nan 8.310 nan 0.000 0.485 335 G N 0.666 109.628 108.800 0.270 0.000 2.827 335 G HA2 0.883 4.843 3.960 -0.000 0.000 0.296 335 G HA3 0.883 4.843 3.960 -0.000 0.000 0.296 335 G C -1.624 173.417 174.900 0.236 0.000 1.362 335 G CA -0.290 44.925 45.100 0.191 0.000 0.809 335 G HN 1.029 nan 8.290 nan 0.000 0.522 336 A N -2.119 120.808 122.820 0.179 0.000 2.601 336 A HA 0.729 5.049 4.320 -0.000 0.000 0.291 336 A C 0.709 178.353 177.584 0.101 0.000 1.075 336 A CA 0.482 52.635 52.037 0.194 0.000 0.671 336 A CB 0.861 20.003 19.000 0.236 0.000 1.277 336 A HN 1.889 nan 8.150 nan 0.000 0.417 337 G N -0.720 108.138 108.800 0.097 0.000 2.623 337 G HA2 0.274 4.234 3.960 -0.000 0.000 0.214 337 G HA3 0.274 4.234 3.960 -0.000 0.000 0.214 337 G C 0.042 174.838 174.900 -0.173 0.000 1.138 337 G CA 1.145 46.236 45.100 -0.016 0.000 0.794 337 G HN 0.707 nan 8.290 nan 0.000 0.535 338 D N -1.123 119.222 120.400 -0.091 0.000 2.217 338 D HA 0.379 5.019 4.640 -0.000 0.000 0.243 338 D C 0.581 176.840 176.300 -0.068 0.000 1.054 338 D CA -1.052 52.876 54.000 -0.121 0.000 0.838 338 D CB 1.034 41.844 40.800 0.016 0.000 1.162 338 D HN -0.089 nan 8.370 nan 0.000 0.472 339 F N 1.548 121.521 119.950 0.040 0.000 2.365 339 F HA 0.024 4.551 4.527 -0.000 0.000 0.300 339 F C 2.103 177.922 175.800 0.032 0.000 1.090 339 F CA 0.623 58.636 58.000 0.021 0.000 1.408 339 F CB -0.139 38.847 39.000 -0.024 0.000 1.060 339 F HN 0.450 nan 8.300 nan 0.000 0.534 340 E N -0.225 120.099 120.200 0.207 0.000 2.474 340 E HA 0.042 4.392 4.350 -0.000 0.000 0.195 340 E C 0.714 177.385 176.600 0.119 0.000 1.039 340 E CA -0.077 56.410 56.400 0.145 0.000 0.881 340 E CB 0.084 29.858 29.700 0.122 0.000 0.970 340 E HN 0.043 nan 8.360 nan 0.000 0.486 341 S N -0.478 115.295 115.700 0.121 0.000 2.548 341 S HA 0.028 4.498 4.470 -0.000 0.000 0.277 341 S C 0.918 175.564 174.600 0.077 0.000 1.315 341 S CA -0.602 57.671 58.200 0.122 0.000 1.050 341 S CB 0.211 63.508 63.200 0.161 0.000 0.918 341 S HN 0.328 nan 8.310 nan 0.000 0.497 342 F N 5.475 125.347 119.950 -0.131 0.000 2.192 342 F HA -0.120 4.407 4.527 -0.000 0.000 0.301 342 F C 0.999 176.610 175.800 -0.315 0.000 1.079 342 F CA 1.621 59.460 58.000 -0.268 0.000 1.303 342 F CB -0.540 38.191 39.000 -0.449 0.000 1.024 342 F HN 0.794 nan 8.300 nan 0.000 0.494 343 Y N -0.853 119.262 120.300 -0.309 0.000 2.571 343 Y HA -0.037 4.513 4.550 -0.000 0.000 0.294 343 Y C 1.861 177.618 175.900 -0.238 0.000 1.141 343 Y CA 0.492 58.328 58.100 -0.440 0.000 1.308 343 Y CB -0.485 37.747 38.460 -0.381 0.000 1.002 343 Y HN 0.201 nan 8.280 nan 0.000 0.551 344 L N 0.410 121.617 121.223 -0.027 0.000 2.416 344 L HA 0.053 4.393 4.340 -0.000 0.000 0.188 344 L C 2.198 179.061 176.870 -0.012 0.000 1.145 344 L CA 1.442 56.298 54.840 0.027 0.000 0.826 344 L CB -0.763 41.362 42.059 0.112 0.000 1.064 344 L HN 0.130 nan 8.230 nan 0.000 0.490 345 K N -1.255 119.151 120.400 0.010 0.000 2.366 345 K HA 0.087 4.407 4.320 -0.000 0.000 0.198 345 K C 1.588 178.183 176.600 -0.009 0.000 1.044 345 K CA 1.126 57.426 56.287 0.022 0.000 0.973 345 K CB -0.722 31.815 32.500 0.062 0.000 0.767 345 K HN 0.260 nan 8.250 nan 0.000 0.475 346 G N 1.163 109.908 108.800 -0.093 0.000 2.776 346 G HA2 -0.144 3.816 3.960 -0.000 0.000 0.209 346 G HA3 -0.144 3.816 3.960 -0.000 0.000 0.209 346 G C 1.293 176.164 174.900 -0.048 0.000 1.145 346 G CA 0.229 45.293 45.100 -0.060 0.000 0.791 346 G HN 0.201 nan 8.290 nan 0.000 0.530 347 V N 1.019 120.881 119.914 -0.086 0.000 2.568 347 V HA -0.186 3.934 4.120 -0.000 0.000 0.253 347 V C 2.282 178.321 176.094 -0.091 0.000 1.072 347 V CA 2.019 64.273 62.300 -0.076 0.000 1.084 347 V CB -0.327 31.462 31.823 -0.056 0.000 0.676 347 V HN 0.418 nan 8.190 nan 0.000 0.469 348 N N -0.146 118.556 118.700 0.002 0.000 2.331 348 N HA -0.134 4.606 4.740 -0.000 0.000 0.180 348 N C 1.646 177.213 175.510 0.096 0.000 1.019 348 N CA 1.425 54.557 53.050 0.135 0.000 0.881 348 N CB -0.086 38.507 38.487 0.175 0.000 0.972 348 N HN 0.667 nan 8.380 nan 0.000 0.435 349 E N 0.876 121.089 120.200 0.022 0.000 2.023 349 E HA -0.139 4.211 4.350 -0.000 0.000 0.196 349 E C -0.762 175.782 176.600 -0.095 0.000 1.003 349 E CA 1.094 57.504 56.400 0.015 0.000 0.809 349 E CB -0.884 28.881 29.700 0.109 0.000 0.755 349 E HN 0.386 nan 8.360 nan 0.000 0.449 350 P HA -0.091 nan 4.420 nan 0.000 0.218 350 P C 1.627 178.775 177.300 -0.254 0.000 1.149 350 P CA 0.978 63.898 63.100 -0.300 0.000 0.817 350 P CB 0.029 31.417 31.700 -0.520 0.000 0.785 351 V N 1.163 120.910 119.914 -0.278 0.000 2.343 351 V HA -0.211 3.908 4.120 -0.000 0.000 0.247 351 V C 2.501 178.362 176.094 -0.390 0.000 1.051 351 V CA 2.302 64.369 62.300 -0.388 0.000 1.036 351 V CB -1.343 30.150 31.823 -0.551 0.000 0.654 351 V HN 0.110 nan 8.190 nan 0.000 0.451 352 D N -0.076 120.209 120.400 -0.191 0.000 2.097 352 D HA -0.155 4.485 4.640 -0.000 0.000 0.195 352 D C 2.416 178.679 176.300 -0.062 0.000 0.989 352 D CA 1.088 55.081 54.000 -0.012 0.000 0.827 352 D CB -0.061 40.828 40.800 0.148 0.000 0.966 352 D HN 0.196 nan 8.370 nan 0.000 0.456 353 R N 0.356 120.808 120.500 -0.081 0.000 2.073 353 R HA -0.067 4.273 4.340 -0.000 0.000 0.234 353 R C 2.518 178.750 176.300 -0.113 0.000 1.134 353 R CA 0.437 56.488 56.100 -0.083 0.000 0.952 353 R CB -1.245 29.006 30.300 -0.082 0.000 0.850 353 R HN 0.206 nan 8.270 nan 0.000 0.433 354 V N 1.830 121.649 119.914 -0.159 0.000 2.287 354 V HA -0.223 3.897 4.120 -0.000 0.000 0.248 354 V C 2.518 178.524 176.094 -0.148 0.000 1.053 354 V CA 1.669 63.864 62.300 -0.175 0.000 1.027 354 V CB -0.483 31.211 31.823 -0.215 0.000 0.646 354 V HN 0.186 nan 8.190 nan 0.000 0.447 355 L N -0.705 120.425 121.223 -0.155 0.000 2.093 355 L HA -0.152 4.188 4.340 -0.000 0.000 0.208 355 L C 2.534 179.358 176.870 -0.077 0.000 1.085 355 L CA 1.458 56.224 54.840 -0.122 0.000 0.755 355 L CB -0.584 41.392 42.059 -0.139 0.000 0.904 355 L HN 0.358 nan 8.230 nan 0.000 0.435 356 E N 0.239 120.401 120.200 -0.063 0.000 2.058 356 E HA -0.252 4.098 4.350 -0.000 0.000 0.194 356 E C 2.292 178.862 176.600 -0.050 0.000 0.997 356 E CA 1.294 57.667 56.400 -0.044 0.000 0.801 356 E CB -0.100 29.579 29.700 -0.035 0.000 0.746 356 E HN 0.498 nan 8.360 nan 0.000 0.450 357 A N 0.787 123.567 122.820 -0.065 0.000 1.930 357 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 357 A C 2.104 179.653 177.584 -0.060 0.000 1.175 357 A CA 0.986 52.984 52.037 -0.064 0.000 0.627 357 A CB -0.506 18.445 19.000 -0.083 0.000 0.815 357 A HN 0.171 nan 8.150 nan 0.000 0.443 358 I N -0.584 119.945 120.570 -0.068 0.000 2.179 358 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 358 I C 2.531 178.622 176.117 -0.043 0.000 1.088 358 I CA 1.918 63.184 61.300 -0.057 0.000 1.357 358 I CB -0.207 37.753 38.000 -0.066 0.000 1.051 358 I HN 0.352 nan 8.210 nan 0.000 0.409 359 K N 1.257 121.632 120.400 -0.042 0.000 2.026 359 K HA -0.188 4.132 4.320 -0.000 0.000 0.208 359 K C 1.751 178.334 176.600 -0.027 0.000 1.048 359 K CA 1.951 58.219 56.287 -0.032 0.000 0.929 359 K CB -0.150 32.333 32.500 -0.029 0.000 0.713 359 K HN 0.373 nan 8.250 nan 0.000 0.439 360 N N -0.297 118.386 118.700 -0.029 0.000 2.381 360 N HA -0.122 4.617 4.740 -0.000 0.000 0.182 360 N C 1.530 177.027 175.510 -0.022 0.000 1.025 360 N CA 1.140 54.175 53.050 -0.024 0.000 0.888 360 N CB 0.079 38.551 38.487 -0.025 0.000 0.965 360 N HN 0.285 nan 8.380 nan 0.000 0.438 361 S N 0.287 115.972 115.700 -0.024 0.000 2.458 361 S HA 0.124 4.594 4.470 -0.000 0.000 0.223 361 S C 1.777 176.367 174.600 -0.017 0.000 1.019 361 S CA -0.022 58.166 58.200 -0.020 0.000 0.937 361 S CB 0.162 63.349 63.200 -0.021 0.000 0.788 361 S HN 0.173 nan 8.310 nan 0.000 0.511 362 R N 1.958 122.447 120.500 -0.019 0.000 2.127 362 R HA 0.136 4.476 4.340 -0.000 0.000 0.217 362 R C 1.425 177.716 176.300 -0.014 0.000 1.074 362 R CA 0.855 56.946 56.100 -0.017 0.000 0.991 362 R CB -0.171 30.117 30.300 -0.020 0.000 0.895 362 R HN 0.620 nan 8.270 nan 0.000 0.450 363 S N 0.000 115.691 115.700 -0.015 0.000 2.498 363 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 363 S CA 0.000 58.193 58.200 -0.012 0.000 1.107 363 S CB 0.000 63.192 63.200 -0.013 0.000 0.593 363 S HN 0.000 nan 8.310 nan 0.000 0.517