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 2c0q_1_B DATA FIRST_RESID 4 DATA SEQUENCE EDPQLLVRVR GGQLRGIRLK APGGPVSAFL GIPFAEPPVG SRRFMPPEPK DATA SEQUENCE RPWSGVLDAT TFQNVcYQYV DTLYPGFEGT EMWNPNRELS EDcLYLNVWT DATA SEQUENCE PYPRPASPTP VLIWIYGGGF YSGAASLDVY DGRFLAQVEG AVLVSMNYRV DATA SEQUENCE GTFGFLALPG SREAPGNVGL LDQRLALQWV QENIAAFGGD PMSVTLFGES DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcXXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLLSAT A 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 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.625 176.600 0.042 0.000 1.382 4 E CA 0.000 56.418 56.400 0.031 0.000 0.976 4 E CB 0.000 29.716 29.700 0.026 0.000 0.812 5 D N 1.930 122.363 120.400 0.055 0.000 2.401 5 D HA 0.120 4.784 4.640 0.040 0.000 0.254 5 D C -1.554 174.791 176.300 0.076 0.000 1.192 5 D CA -1.763 52.284 54.000 0.079 0.000 0.885 5 D CB 1.520 42.392 40.800 0.119 0.000 1.147 5 D HN 0.146 nan 8.370 nan 0.000 0.478 6 P HA -0.036 nan 4.420 nan 0.000 0.233 6 P C 1.047 178.376 177.300 0.049 0.000 1.167 6 P CA 0.443 63.570 63.100 0.045 0.000 0.770 6 P CB 0.409 32.121 31.700 0.021 0.000 0.837 7 Q N -0.520 119.309 119.800 0.048 0.000 2.297 7 Q HA 0.054 4.418 4.340 0.040 0.000 0.204 7 Q C 1.495 177.604 176.000 0.182 0.000 0.962 7 Q CA 0.949 56.770 55.803 0.030 0.000 0.879 7 Q CB -0.273 28.372 28.738 -0.155 0.000 0.947 7 Q HN 0.393 nan 8.270 nan 0.000 0.462 8 L N 0.123 121.459 121.223 0.188 0.000 2.741 8 L HA 0.290 4.654 4.340 0.040 0.000 0.237 8 L C 0.259 177.316 176.870 0.313 0.000 1.178 8 L CA -0.092 54.872 54.840 0.208 0.000 0.973 8 L CB 0.340 42.437 42.059 0.063 0.000 1.255 8 L HN -0.026 nan 8.230 nan 0.000 0.498 9 L N 0.933 122.308 121.223 0.252 0.000 2.372 9 L HA 0.611 4.975 4.340 0.040 0.000 0.274 9 L C -1.218 175.698 176.870 0.076 0.000 0.988 9 L CA -0.434 54.512 54.840 0.177 0.000 0.833 9 L CB 2.271 44.391 42.059 0.100 0.000 1.236 9 L HN -0.213 nan 8.230 nan 0.000 0.410 10 V N 4.063 123.985 119.914 0.013 0.000 2.789 10 V HA 0.482 4.626 4.120 0.040 0.000 0.311 10 V C -0.417 175.592 176.094 -0.141 0.000 1.073 10 V CA -0.777 61.384 62.300 -0.231 0.000 0.921 10 V CB 2.275 33.650 31.823 -0.747 0.000 1.009 10 V HN 0.699 nan 8.190 nan 0.000 0.426 11 R N 3.292 123.692 120.500 -0.167 0.000 2.215 11 R HA 0.648 5.013 4.340 0.040 0.000 0.337 11 R C -0.451 175.759 176.300 -0.151 0.000 1.010 11 R CA -0.332 55.702 56.100 -0.109 0.000 0.871 11 R CB 1.217 31.459 30.300 -0.097 0.000 1.134 11 R HN 0.748 nan 8.270 nan 0.000 0.477 12 V N 1.959 121.833 119.914 -0.068 0.000 3.295 12 V HA 0.338 4.482 4.120 0.040 0.000 0.308 12 V C 1.491 177.515 176.094 -0.117 0.000 1.068 12 V CA -0.625 61.640 62.300 -0.059 0.000 1.062 12 V CB 1.355 33.287 31.823 0.181 0.000 1.162 12 V HN 0.888 nan 8.190 nan 0.000 0.456 13 R N 1.173 121.589 120.500 -0.139 0.000 2.139 13 R HA -0.087 4.277 4.340 0.040 0.000 0.243 13 R C 1.888 178.058 176.300 -0.217 0.000 1.145 13 R CA 2.097 58.105 56.100 -0.152 0.000 0.976 13 R CB -0.862 29.361 30.300 -0.129 0.000 0.866 13 R HN 1.036 nan 8.270 nan 0.000 0.449 14 G N -1.630 106.988 108.800 -0.303 0.000 2.880 14 G HA2 0.366 4.350 3.960 0.040 0.000 0.209 14 G HA3 0.366 4.350 3.960 0.040 0.000 0.209 14 G C 0.300 174.364 174.900 -1.394 0.000 1.157 14 G CA 0.371 45.055 45.100 -0.693 0.000 0.779 14 G HN 0.665 nan 8.290 nan 0.000 0.539 15 G N -0.957 107.269 108.800 -0.958 0.000 2.302 15 G HA2 0.114 4.098 3.960 0.040 0.000 0.276 15 G HA3 0.114 4.098 3.960 0.040 0.000 0.276 15 G C -1.184 173.620 174.900 -0.161 0.000 1.316 15 G CA -0.945 43.694 45.100 -0.768 0.000 0.988 15 G HN 0.325 nan 8.290 nan 0.000 0.479 16 Q N -0.498 119.390 119.800 0.146 0.000 2.214 16 Q HA 0.753 5.117 4.340 0.040 0.000 0.251 16 Q C -0.491 175.804 176.000 0.492 0.000 0.936 16 Q CA -0.458 55.506 55.803 0.268 0.000 0.894 16 Q CB 2.049 30.890 28.738 0.171 0.000 1.252 16 Q HN 0.485 nan 8.270 nan 0.000 0.448 17 L N 0.974 122.405 121.223 0.347 0.000 2.388 17 L HA 0.629 4.993 4.340 0.040 0.000 0.264 17 L C -0.533 176.523 176.870 0.310 0.000 0.998 17 L CA -0.858 54.193 54.840 0.351 0.000 0.817 17 L CB 2.218 44.531 42.059 0.423 0.000 1.338 17 L HN 0.453 nan 8.230 nan 0.000 0.414 18 R N 0.757 121.409 120.500 0.255 0.000 2.360 18 R HA 0.611 4.976 4.340 0.040 0.000 0.318 18 R C -0.285 176.092 176.300 0.128 0.000 0.950 18 R CA -0.339 55.879 56.100 0.196 0.000 0.837 18 R CB 1.707 32.066 30.300 0.098 0.000 1.165 18 R HN 0.853 nan 8.270 nan 0.000 0.458 19 G N 3.374 112.189 108.800 0.024 0.000 2.543 19 G HA2 0.392 4.376 3.960 0.040 0.000 0.290 19 G HA3 0.392 4.376 3.960 0.040 0.000 0.290 19 G C -0.786 173.925 174.900 -0.316 0.000 1.310 19 G CA -0.706 44.105 45.100 -0.483 0.000 1.025 19 G HN 0.614 nan 8.290 nan 0.000 0.502 20 I N -1.138 119.204 120.570 -0.380 0.000 2.646 20 I HA 0.567 4.761 4.170 0.040 0.000 0.299 20 I C 0.011 175.991 176.117 -0.228 0.000 1.036 20 I CA -1.270 59.885 61.300 -0.241 0.000 1.074 20 I CB 1.998 39.864 38.000 -0.222 0.000 1.258 20 I HN 0.434 nan 8.210 nan 0.000 0.430 21 R N 7.438 127.841 120.500 -0.161 0.000 2.202 21 R HA 0.534 4.898 4.340 0.040 0.000 0.334 21 R C -1.606 174.590 176.300 -0.173 0.000 1.036 21 R CA -0.394 55.598 56.100 -0.180 0.000 0.878 21 R CB 0.538 30.690 30.300 -0.248 0.000 1.067 21 R HN 0.664 nan 8.270 nan 0.000 0.457 22 L N 3.830 124.968 121.223 -0.142 0.000 2.334 22 L HA 0.486 4.850 4.340 0.040 0.000 0.270 22 L C -0.446 176.356 176.870 -0.114 0.000 1.018 22 L CA -1.186 53.589 54.840 -0.109 0.000 0.811 22 L CB 1.745 43.770 42.059 -0.056 0.000 1.271 22 L HN 0.570 nan 8.230 nan 0.000 0.443 23 K N 1.149 121.489 120.400 -0.100 0.000 2.185 23 K HA 0.781 5.125 4.320 0.040 0.000 0.269 23 K C -0.920 175.628 176.600 -0.087 0.000 0.987 23 K CA -0.380 55.853 56.287 -0.089 0.000 0.865 23 K CB 1.896 34.351 32.500 -0.074 0.000 1.090 23 K HN 0.525 nan 8.250 nan 0.000 0.450 24 A N 3.911 126.688 122.820 -0.072 0.000 2.320 24 A HA 0.552 4.897 4.320 0.040 0.000 0.334 24 A C -1.738 175.869 177.584 0.039 0.000 1.147 24 A CA -2.101 49.905 52.037 -0.052 0.000 0.820 24 A CB 0.533 19.490 19.000 -0.071 0.000 1.218 24 A HN 0.692 nan 8.150 nan 0.000 0.482 25 P HA -0.194 nan 4.420 nan 0.000 0.219 25 P C 1.138 178.475 177.300 0.062 0.000 1.153 25 P CA 2.351 65.509 63.100 0.096 0.000 0.865 25 P CB 0.242 32.020 31.700 0.131 0.000 0.788 26 G N -2.769 106.070 108.800 0.065 0.000 3.393 26 G HA2 0.504 4.488 3.960 0.040 0.000 0.255 26 G HA3 0.504 4.488 3.960 0.040 0.000 0.255 26 G C 0.387 175.312 174.900 0.042 0.000 1.097 26 G CA 0.362 45.492 45.100 0.050 0.000 0.780 26 G HN 0.605 nan 8.290 nan 0.000 0.540 27 G N -0.187 108.631 108.800 0.030 0.000 2.359 27 G HA2 0.386 4.370 3.960 0.040 0.000 0.293 27 G HA3 0.386 4.370 3.960 0.040 0.000 0.293 27 G C -3.427 171.468 174.900 -0.009 0.000 1.300 27 G CA -0.693 44.418 45.100 0.019 0.000 0.888 27 G HN 0.051 nan 8.290 nan 0.000 0.541 28 P HA 0.558 nan 4.420 nan 0.000 0.281 28 P C -0.231 177.067 177.300 -0.003 0.000 1.249 28 P CA -0.378 62.639 63.100 -0.139 0.000 0.810 28 P CB 1.755 33.202 31.700 -0.421 0.000 1.008 29 V N -1.583 118.325 119.914 -0.011 0.000 2.789 29 V HA 0.585 4.729 4.120 0.040 0.000 0.311 29 V C -0.392 175.791 176.094 0.149 0.000 1.073 29 V CA -0.830 61.556 62.300 0.144 0.000 0.921 29 V CB 1.735 33.644 31.823 0.143 0.000 1.009 29 V HN 0.435 nan 8.190 nan 0.000 0.426 30 S N 2.823 118.691 115.700 0.279 0.000 2.489 30 S HA 0.814 5.308 4.470 0.040 0.000 0.277 30 S C 0.180 174.766 174.600 -0.023 0.000 1.230 30 S CA 0.084 58.372 58.200 0.147 0.000 1.053 30 S CB 1.139 64.523 63.200 0.306 0.000 0.955 30 S HN 1.606 nan 8.310 nan 0.000 0.488 31 A N 2.761 125.367 122.820 -0.356 0.000 2.355 31 A HA 0.815 5.159 4.320 0.040 0.000 0.317 31 A C -1.124 175.999 177.584 -0.768 0.000 1.094 31 A CA -0.689 51.064 52.037 -0.474 0.000 0.764 31 A CB 0.526 19.247 19.000 -0.464 0.000 1.230 31 A HN 0.690 nan 8.150 nan 0.000 0.448 32 F N 2.676 122.486 119.950 -0.234 0.000 2.434 32 F HA 0.427 4.978 4.527 0.040 0.000 0.367 32 F C -0.205 175.437 175.800 -0.263 0.000 1.093 32 F CA -0.283 57.650 58.000 -0.111 0.000 1.085 32 F CB 1.163 40.260 39.000 0.161 0.000 1.322 32 F HN 0.333 nan 8.300 nan 0.000 0.452 33 L N 2.009 123.102 121.223 -0.217 0.000 2.322 33 L HA 0.640 5.004 4.340 0.040 0.000 0.279 33 L C 1.057 177.846 176.870 -0.135 0.000 1.036 33 L CA -0.905 53.757 54.840 -0.298 0.000 0.807 33 L CB 1.559 43.266 42.059 -0.588 0.000 1.226 33 L HN 0.829 nan 8.230 nan 0.000 0.433 34 G N 3.118 111.896 108.800 -0.037 0.000 2.273 34 G HA2 -0.274 3.710 3.960 0.040 0.000 0.280 34 G HA3 -0.274 3.710 3.960 0.040 0.000 0.280 34 G C 0.002 174.931 174.900 0.048 0.000 1.047 34 G CA -0.190 44.890 45.100 -0.033 0.000 0.869 34 G HN 0.496 nan 8.290 nan 0.000 0.502 35 I N 1.963 122.573 120.570 0.067 0.000 2.533 35 I HA 0.223 4.417 4.170 0.040 0.000 0.284 35 I C -1.364 174.805 176.117 0.087 0.000 1.109 35 I CA -1.870 59.454 61.300 0.041 0.000 1.412 35 I CB 0.884 38.862 38.000 -0.036 0.000 1.396 35 I HN -0.000 nan 8.210 nan 0.000 0.543 36 P HA 0.120 nan 4.420 nan 0.000 0.285 36 P C -0.295 176.910 177.300 -0.160 0.000 1.259 36 P CA -0.189 62.776 63.100 -0.224 0.000 0.794 36 P CB 0.724 32.280 31.700 -0.240 0.000 0.940 37 F N 0.697 120.467 119.950 -0.300 0.000 2.706 37 F HA 0.727 5.278 4.527 0.040 0.000 0.308 37 F C 0.162 175.940 175.800 -0.036 0.000 1.095 37 F CA -0.703 57.185 58.000 -0.186 0.000 1.244 37 F CB 0.149 38.953 39.000 -0.328 0.000 1.063 37 F HN 0.314 nan 8.300 nan 0.000 0.582 38 A N 0.159 122.710 122.820 -0.449 0.000 2.587 38 A HA 0.548 4.892 4.320 0.040 0.000 0.293 38 A C -0.740 176.688 177.584 -0.260 0.000 1.087 38 A CA -0.820 51.061 52.037 -0.259 0.000 0.692 38 A CB 0.924 19.736 19.000 -0.313 0.000 1.291 38 A HN 0.065 nan 8.150 nan 0.000 0.407 39 E N 1.310 121.438 120.200 -0.120 0.000 2.502 39 E HA 0.127 4.501 4.350 0.040 0.000 0.261 39 E C -2.258 174.244 176.600 -0.164 0.000 0.974 39 E CA -0.910 55.428 56.400 -0.103 0.000 0.936 39 E CB -0.237 29.438 29.700 -0.041 0.000 0.926 39 E HN 0.246 nan 8.360 nan 0.000 0.459 40 P HA -0.008 nan 4.420 nan 0.000 0.261 40 P C -2.184 175.044 177.300 -0.120 0.000 1.183 40 P CA -0.695 62.311 63.100 -0.157 0.000 0.761 40 P CB -0.031 31.612 31.700 -0.096 0.000 0.785 41 P HA 0.027 nan 4.420 nan 0.000 0.218 41 P C -0.336 176.896 177.300 -0.114 0.000 1.793 41 P CA 0.032 63.069 63.100 -0.105 0.000 0.941 41 P CB -0.081 31.559 31.700 -0.099 0.000 1.919 42 V N -3.003 116.850 119.914 -0.101 0.000 3.177 42 V HA 0.889 5.033 4.120 0.040 0.000 0.319 42 V C 1.147 177.188 176.094 -0.087 0.000 1.125 42 V CA 0.057 62.294 62.300 -0.104 0.000 1.029 42 V CB 0.670 32.441 31.823 -0.087 0.000 1.119 42 V HN 0.502 nan 8.190 nan 0.000 0.452 43 G N 1.953 110.703 108.800 -0.084 0.000 2.665 43 G HA2 -0.381 3.603 3.960 0.040 0.000 0.326 43 G HA3 -0.381 3.603 3.960 0.040 0.000 0.326 43 G C 1.272 176.137 174.900 -0.059 0.000 1.231 43 G CA 1.999 47.063 45.100 -0.060 0.000 0.992 43 G HN 2.365 nan 8.290 nan 0.000 0.549 44 S N 0.550 116.229 115.700 -0.035 0.000 2.607 44 S HA 0.146 4.641 4.470 0.040 0.000 0.224 44 S C 1.869 176.455 174.600 -0.024 0.000 0.969 44 S CA 1.356 59.545 58.200 -0.018 0.000 0.927 44 S CB 0.089 63.288 63.200 -0.002 0.000 0.772 44 S HN 0.585 nan 8.310 nan 0.000 0.533 45 R N 1.058 121.527 120.500 -0.051 0.000 2.312 45 R HA 0.251 4.616 4.340 0.040 0.000 0.205 45 R C 0.816 177.059 176.300 -0.094 0.000 0.904 45 R CA -0.122 55.948 56.100 -0.050 0.000 1.052 45 R CB -0.325 29.944 30.300 -0.052 0.000 1.014 45 R HN 0.478 nan 8.270 nan 0.000 0.503 46 R N 0.928 121.320 120.500 -0.181 0.000 2.522 46 R HA -0.105 4.259 4.340 0.040 0.000 0.284 46 R C -0.238 175.795 176.300 -0.446 0.000 1.032 46 R CA 0.474 56.327 56.100 -0.411 0.000 1.049 46 R CB 0.056 30.000 30.300 -0.593 0.000 0.956 46 R HN 0.067 nan 8.270 nan 0.000 0.422 47 F N -0.582 119.374 119.950 0.011 0.000 2.748 47 F HA -0.299 4.252 4.527 0.040 0.000 0.370 47 F C 0.120 175.905 175.800 -0.025 0.000 0.620 47 F CA 0.551 58.533 58.000 -0.030 0.000 1.233 47 F CB -1.511 37.458 39.000 -0.051 0.000 1.708 47 F HN 0.468 nan 8.300 nan 0.000 0.298 48 M N 1.092 120.746 119.600 0.089 0.000 2.342 48 M HA 0.392 4.897 4.480 0.040 0.000 0.332 48 M C -1.885 174.440 176.300 0.041 0.000 1.166 48 M CA -1.464 53.875 55.300 0.064 0.000 1.086 48 M CB 0.750 33.372 32.600 0.038 0.000 1.541 48 M HN -0.357 nan 8.290 nan 0.000 0.462 49 P HA 0.068 nan 4.420 nan 0.000 0.267 49 P C -2.431 174.896 177.300 0.044 0.000 1.201 49 P CA -0.469 62.662 63.100 0.052 0.000 0.775 49 P CB -0.500 31.239 31.700 0.066 0.000 0.854 50 P HA 0.178 nan 4.420 nan 0.000 0.275 50 P C -0.629 176.707 177.300 0.060 0.000 1.227 50 P CA 0.086 63.214 63.100 0.047 0.000 0.781 50 P CB 0.899 32.654 31.700 0.091 0.000 0.906 51 E N 3.339 123.562 120.200 0.037 0.000 2.222 51 E HA 0.384 4.758 4.350 0.040 0.000 0.272 51 E C -2.278 174.362 176.600 0.067 0.000 0.982 51 E CA -2.419 54.013 56.400 0.052 0.000 0.842 51 E CB 0.323 30.044 29.700 0.035 0.000 1.144 51 E HN 0.344 nan 8.360 nan 0.000 0.397 52 P HA -0.074 nan 4.420 nan 0.000 0.262 52 P C -0.728 176.641 177.300 0.114 0.000 1.182 52 P CA -0.006 63.176 63.100 0.136 0.000 0.761 52 P CB 0.334 32.116 31.700 0.137 0.000 0.795 53 K N 4.198 124.680 120.400 0.137 0.000 2.511 53 K HA -0.047 4.297 4.320 0.040 0.000 0.280 53 K C 0.133 176.847 176.600 0.189 0.000 1.008 53 K CA 0.550 56.925 56.287 0.145 0.000 1.050 53 K CB 0.160 32.783 32.500 0.205 0.000 0.889 53 K HN 0.291 nan 8.250 nan 0.000 0.484 54 R N 4.844 125.441 120.500 0.161 0.000 2.641 54 R HA 0.178 4.543 4.340 0.040 0.000 0.269 54 R C -2.012 174.411 176.300 0.205 0.000 1.074 54 R CA -1.657 54.529 56.100 0.143 0.000 1.133 54 R CB 0.154 30.518 30.300 0.106 0.000 1.029 54 R HN 0.569 nan 8.270 nan 0.000 0.488 55 P HA -0.063 nan 4.420 nan 0.000 0.267 55 P C -1.253 176.095 177.300 0.079 0.000 1.200 55 P CA 0.056 63.113 63.100 -0.073 0.000 0.772 55 P CB 0.321 31.938 31.700 -0.139 0.000 0.855 56 W N 0.893 122.229 121.300 0.059 0.000 2.781 56 W HA 0.674 5.359 4.660 0.040 0.000 0.345 56 W C -0.440 176.106 176.519 0.044 0.000 1.085 56 W CA -1.055 56.321 57.345 0.052 0.000 1.198 56 W CB 0.056 29.554 29.460 0.064 0.000 1.423 56 W HN 0.385 nan 8.180 nan 0.000 0.532 57 S N 1.921 117.777 115.700 0.260 0.000 2.617 57 S HA 0.720 5.214 4.470 0.040 0.000 0.269 57 S C 0.764 175.515 174.600 0.251 0.000 1.292 57 S CA 0.217 58.512 58.200 0.158 0.000 1.010 57 S CB 0.631 63.901 63.200 0.117 0.000 0.944 57 S HN 2.138 nan 8.310 nan 0.000 0.536 58 G N 0.254 109.149 108.800 0.158 0.000 2.575 58 G HA2 -0.196 3.788 3.960 0.040 0.000 0.267 58 G HA3 -0.196 3.788 3.960 0.040 0.000 0.267 58 G C -0.503 174.546 174.900 0.248 0.000 1.264 58 G CA -0.124 45.075 45.100 0.164 0.000 0.935 58 G HN 1.717 nan 8.290 nan 0.000 0.568 59 V N 0.747 120.783 119.914 0.204 0.000 2.313 59 V HA 0.512 4.656 4.120 0.040 0.000 0.278 59 V C 0.481 176.672 176.094 0.161 0.000 1.017 59 V CA -0.468 61.959 62.300 0.211 0.000 0.823 59 V CB 1.128 33.031 31.823 0.133 0.000 1.010 59 V HN 0.766 nan 8.190 nan 0.000 0.443 60 L N 4.385 125.707 121.223 0.165 0.000 2.367 60 L HA 0.343 4.707 4.340 0.040 0.000 0.275 60 L C 0.381 177.238 176.870 -0.022 0.000 1.129 60 L CA 0.225 55.016 54.840 -0.082 0.000 0.839 60 L CB 0.894 42.651 42.059 -0.503 0.000 1.133 60 L HN 0.774 nan 8.230 nan 0.000 0.453 61 D N 4.410 124.775 120.400 -0.058 0.000 2.344 61 D HA 0.331 4.995 4.640 0.040 0.000 0.253 61 D C -0.240 176.019 176.300 -0.068 0.000 1.255 61 D CA 0.139 54.112 54.000 -0.045 0.000 0.894 61 D CB 0.800 41.565 40.800 -0.059 0.000 1.067 61 D HN 0.615 nan 8.370 nan 0.000 0.492 62 A N 3.508 126.316 122.820 -0.020 0.000 3.257 62 A HA 0.356 4.700 4.320 0.040 0.000 0.308 62 A C 0.876 178.394 177.584 -0.110 0.000 1.175 62 A CA -0.283 51.739 52.037 -0.026 0.000 1.018 62 A CB -0.227 18.856 19.000 0.138 0.000 1.088 62 A HN 0.586 nan 8.150 nan 0.000 0.567 63 T N -3.830 110.627 114.554 -0.162 0.000 3.043 63 T HA 0.339 4.713 4.350 0.040 0.000 0.272 63 T C 0.354 174.894 174.700 -0.267 0.000 0.990 63 T CA 0.511 62.481 62.100 -0.216 0.000 0.897 63 T CB 0.249 69.021 68.868 -0.161 0.000 1.111 63 T HN 0.440 nan 8.240 nan 0.000 0.529 64 T N 0.822 115.215 114.554 -0.268 0.000 2.933 64 T HA 0.595 4.969 4.350 0.040 0.000 0.305 64 T C -1.501 173.044 174.700 -0.259 0.000 1.092 64 T CA -0.696 61.237 62.100 -0.277 0.000 1.008 64 T CB 0.640 69.408 68.868 -0.166 0.000 1.102 64 T HN 0.079 nan 8.240 nan 0.000 0.469 65 F N 3.622 123.497 119.950 -0.124 0.000 2.608 65 F HA 0.257 4.808 4.527 0.040 0.000 0.380 65 F C 1.482 177.176 175.800 -0.178 0.000 1.083 65 F CA -0.012 57.915 58.000 -0.122 0.000 1.266 65 F CB 0.450 39.409 39.000 -0.069 0.000 1.076 65 F HN 0.447 nan 8.300 nan 0.000 0.574 66 Q N 2.170 121.952 119.800 -0.029 0.000 2.397 66 Q HA 0.156 4.520 4.340 0.040 0.000 0.193 66 Q C 0.073 175.987 176.000 -0.143 0.000 1.083 66 Q CA -0.490 55.139 55.803 -0.289 0.000 1.108 66 Q CB 0.482 28.706 28.738 -0.857 0.000 1.172 66 Q HN 0.541 nan 8.270 nan 0.000 0.617 67 N N -0.282 118.314 118.700 -0.173 0.000 2.453 67 N HA 0.037 4.801 4.740 0.040 0.000 0.253 67 N C -0.531 174.961 175.510 -0.029 0.000 1.252 67 N CA 0.048 53.054 53.050 -0.073 0.000 0.917 67 N CB 0.501 38.960 38.487 -0.047 0.000 1.117 67 N HN 0.170 nan 8.380 nan 0.000 0.442 68 V N 1.643 121.518 119.914 -0.065 0.000 2.498 68 V HA 0.052 4.196 4.120 0.040 0.000 0.279 68 V C 0.719 176.765 176.094 -0.080 0.000 1.048 68 V CA -0.787 61.458 62.300 -0.091 0.000 0.967 68 V CB 0.850 32.585 31.823 -0.146 0.000 0.988 68 V HN 0.721 nan 8.190 nan 0.000 0.473 69 c N 4.630 123.195 118.600 -0.058 0.000 2.634 69 c HA 0.061 4.656 4.570 0.040 0.000 0.417 69 c C 0.511 174.553 174.090 -0.080 0.000 1.334 69 c CA -0.473 55.828 56.329 -0.046 0.000 1.829 69 c CB -0.952 41.555 42.510 -0.005 0.000 2.665 69 c HN 0.757 nan 8.230 nan 0.000 0.614 70 Y N 3.840 123.997 120.300 -0.238 0.000 2.620 70 Y HA 0.308 4.883 4.550 0.040 0.000 0.330 70 Y C 0.699 176.589 175.900 -0.017 0.000 1.186 70 Y CA 0.957 58.901 58.100 -0.261 0.000 1.467 70 Y CB 0.173 38.257 38.460 -0.626 0.000 1.262 70 Y HN 0.756 nan 8.280 nan 0.000 0.550 71 Q N 4.199 123.929 119.800 -0.117 0.000 2.578 71 Q HA 0.198 4.562 4.340 0.040 0.000 0.284 71 Q C -1.766 174.342 176.000 0.181 0.000 0.960 71 Q CA -1.189 54.731 55.803 0.195 0.000 0.809 71 Q CB 1.079 29.903 28.738 0.143 0.000 1.462 71 Q HN 0.683 nan 8.270 nan 0.000 0.392 72 Y N 1.193 121.671 120.300 0.297 0.000 2.805 72 Y HA 0.217 4.791 4.550 0.040 0.000 0.337 72 Y C -0.880 175.164 175.900 0.241 0.000 1.252 72 Y CA 0.637 58.931 58.100 0.324 0.000 1.515 72 Y CB 0.712 39.496 38.460 0.540 0.000 1.305 72 Y HN 0.453 nan 8.280 nan 0.000 0.600 73 V N 6.640 126.258 119.914 -0.493 0.000 2.448 73 V HA 0.109 4.253 4.120 0.040 0.000 0.295 73 V C -0.594 175.184 176.094 -0.527 0.000 1.025 73 V CA -1.066 61.039 62.300 -0.324 0.000 0.859 73 V CB 1.652 33.351 31.823 -0.208 0.000 0.988 73 V HN 0.772 nan 8.190 nan 0.000 0.431 74 D N 2.992 123.359 120.400 -0.056 0.000 2.417 74 D HA 0.274 4.938 4.640 0.040 0.000 0.250 74 D C 0.845 177.192 176.300 0.079 0.000 1.166 74 D CA 0.461 54.556 54.000 0.159 0.000 0.881 74 D CB 1.106 42.168 40.800 0.436 0.000 1.164 74 D HN 0.777 nan 8.370 nan 0.000 0.467 75 T N 1.261 115.852 114.554 0.062 0.000 3.337 75 T HA 0.074 4.448 4.350 0.040 0.000 0.299 75 T C 1.251 175.949 174.700 -0.004 0.000 0.998 75 T CA -0.515 61.600 62.100 0.026 0.000 0.948 75 T CB -0.174 68.682 68.868 -0.020 0.000 1.170 75 T HN 0.287 nan 8.240 nan 0.000 0.508 76 L N 0.709 121.921 121.223 -0.019 0.000 2.017 76 L HA 0.258 4.622 4.340 0.040 0.000 0.208 76 L C -0.207 176.384 176.870 -0.466 0.000 1.073 76 L CA 1.561 56.216 54.840 -0.309 0.000 0.745 76 L CB -0.175 41.565 42.059 -0.532 0.000 0.894 76 L HN 0.447 nan 8.230 nan 0.000 0.432 77 Y N -0.223 120.108 120.300 0.051 0.000 2.787 77 Y HA 0.417 4.991 4.550 0.040 0.000 0.352 77 Y C -2.211 173.737 175.900 0.080 0.000 1.027 77 Y CA -3.405 54.714 58.100 0.032 0.000 1.219 77 Y CB -0.138 38.326 38.460 0.007 0.000 1.110 77 Y HN 0.053 nan 8.280 nan 0.000 0.614 78 P HA 0.121 nan 4.420 nan 0.000 0.263 78 P C 1.002 178.364 177.300 0.104 0.000 1.195 78 P CA 1.193 64.351 63.100 0.097 0.000 0.762 78 P CB 0.813 32.541 31.700 0.045 0.000 0.799 79 G N 2.428 111.278 108.800 0.082 0.000 2.184 79 G HA2 -0.293 3.691 3.960 0.040 0.000 0.264 79 G HA3 -0.293 3.691 3.960 0.040 0.000 0.264 79 G C -0.047 174.904 174.900 0.085 0.000 0.975 79 G CA -0.374 44.758 45.100 0.054 0.000 0.642 79 G HN 0.540 nan 8.290 nan 0.000 0.536 80 F N 1.829 121.745 119.950 -0.057 0.000 2.445 80 F HA 0.619 5.170 4.527 0.040 0.000 0.359 80 F C 1.298 177.003 175.800 -0.158 0.000 1.101 80 F CA -0.903 57.010 58.000 -0.145 0.000 1.177 80 F CB 1.376 40.254 39.000 -0.203 0.000 1.110 80 F HN 0.096 nan 8.300 nan 0.000 0.522 81 E N 4.148 123.983 120.200 -0.608 0.000 2.160 81 E HA -0.082 4.292 4.350 0.040 0.000 0.195 81 E C 2.217 178.321 176.600 -0.826 0.000 0.991 81 E CA 1.818 57.859 56.400 -0.599 0.000 0.810 81 E CB -0.551 28.895 29.700 -0.423 0.000 0.742 81 E HN 0.897 nan 8.360 nan 0.000 0.466 82 G N -0.591 107.153 108.800 -1.761 0.000 2.469 82 G HA2 -0.347 3.637 3.960 0.040 0.000 0.219 82 G HA3 -0.347 3.637 3.960 0.040 0.000 0.219 82 G C 1.737 176.546 174.900 -0.152 0.000 1.150 82 G CA 1.943 46.247 45.100 -1.326 0.000 0.763 82 G HN 0.503 nan 8.290 nan 0.000 0.561 83 T N -1.672 112.800 114.554 -0.138 0.000 3.009 83 T HA 0.132 4.506 4.350 0.040 0.000 0.258 83 T C 1.930 176.791 174.700 0.268 0.000 1.063 83 T CA 1.026 63.398 62.100 0.453 0.000 1.139 83 T CB 0.040 69.237 68.868 0.548 0.000 0.890 83 T HN 0.211 nan 8.240 nan 0.000 0.471 84 E N 2.059 122.260 120.200 0.002 0.000 2.208 84 E HA -0.035 4.339 4.350 0.040 0.000 0.193 84 E C 2.197 178.714 176.600 -0.138 0.000 0.988 84 E CA 1.092 57.468 56.400 -0.040 0.000 0.828 84 E CB -0.406 29.236 29.700 -0.097 0.000 0.763 84 E HN 0.795 nan 8.360 nan 0.000 0.478 85 M N -2.303 117.118 119.600 -0.298 0.000 2.549 85 M HA -0.037 4.467 4.480 0.040 0.000 0.260 85 M C 1.173 177.078 176.300 -0.658 0.000 1.076 85 M CA 1.300 56.271 55.300 -0.549 0.000 1.090 85 M CB -0.468 31.689 32.600 -0.739 0.000 1.418 85 M HN -0.013 nan 8.290 nan 0.000 0.486 86 W N 0.721 121.983 121.300 -0.062 0.000 3.114 86 W HA 0.297 4.980 4.660 0.040 0.000 0.279 86 W C 0.399 176.874 176.519 -0.074 0.000 1.277 86 W CA -0.927 56.374 57.345 -0.074 0.000 1.630 86 W CB -0.141 29.324 29.460 0.009 0.000 1.087 86 W HN 0.088 nan 8.180 nan 0.000 0.637 87 N N 1.651 120.407 118.700 0.092 0.000 2.503 87 N HA 0.130 4.894 4.740 0.040 0.000 0.267 87 N C -2.430 173.044 175.510 -0.061 0.000 1.214 87 N CA -1.492 51.578 53.050 0.034 0.000 0.959 87 N CB -0.058 38.443 38.487 0.023 0.000 1.142 87 N HN -0.340 nan 8.380 nan 0.000 0.455 88 P HA 0.021 nan 4.420 nan 0.000 0.262 88 P C 0.221 177.445 177.300 -0.127 0.000 1.182 88 P CA 0.091 63.114 63.100 -0.128 0.000 0.761 88 P CB 0.247 31.865 31.700 -0.137 0.000 0.795 89 N N 2.545 121.155 118.700 -0.150 0.000 2.235 89 N HA 0.061 4.825 4.740 0.040 0.000 0.209 89 N C 0.150 175.600 175.510 -0.100 0.000 1.122 89 N CA 0.055 53.027 53.050 -0.130 0.000 0.845 89 N CB 0.297 38.689 38.487 -0.157 0.000 1.004 89 N HN 0.150 nan 8.380 nan 0.000 0.499 90 R N -0.038 120.399 120.500 -0.105 0.000 2.817 90 R HA 0.319 4.683 4.340 0.040 0.000 0.268 90 R C -0.384 175.864 176.300 -0.086 0.000 1.027 90 R CA -0.633 55.420 56.100 -0.079 0.000 0.928 90 R CB 0.714 30.973 30.300 -0.067 0.000 1.228 90 R HN 0.098 nan 8.270 nan 0.000 0.469 91 E N 1.685 121.842 120.200 -0.071 0.000 2.442 91 E HA 0.058 4.432 4.350 0.040 0.000 0.262 91 E C 0.116 176.667 176.600 -0.082 0.000 1.004 91 E CA 0.162 56.522 56.400 -0.067 0.000 0.928 91 E CB 0.452 30.124 29.700 -0.046 0.000 0.937 91 E HN 0.275 nan 8.360 nan 0.000 0.446 92 L N 1.680 122.839 121.223 -0.106 0.000 2.452 92 L HA 0.219 4.583 4.340 0.040 0.000 0.267 92 L C 0.774 177.652 176.870 0.014 0.000 1.188 92 L CA 0.126 54.879 54.840 -0.145 0.000 0.821 92 L CB 0.619 42.423 42.059 -0.426 0.000 1.102 92 L HN 0.438 nan 8.230 nan 0.000 0.470 93 S N 0.201 115.936 115.700 0.059 0.000 2.606 93 S HA 0.128 4.622 4.470 0.040 0.000 0.290 93 S C 0.079 174.674 174.600 -0.009 0.000 1.103 93 S CA -0.704 57.539 58.200 0.071 0.000 0.870 93 S CB 1.288 64.499 63.200 0.017 0.000 1.077 93 S HN 0.748 nan 8.310 nan 0.000 0.448 94 E N 1.187 121.322 120.200 -0.108 0.000 2.268 94 E HA -0.076 4.298 4.350 0.040 0.000 0.195 94 E C -0.147 176.386 176.600 -0.111 0.000 0.995 94 E CA 0.663 56.942 56.400 -0.202 0.000 0.836 94 E CB 0.092 29.618 29.700 -0.290 0.000 0.763 94 E HN 0.551 nan 8.360 nan 0.000 0.491 95 D N 0.200 120.570 120.400 -0.049 0.000 2.453 95 D HA 0.003 4.668 4.640 0.040 0.000 0.223 95 D C 0.077 176.454 176.300 0.129 0.000 1.183 95 D CA -0.288 53.715 54.000 0.005 0.000 0.933 95 D CB 0.166 40.983 40.800 0.029 0.000 1.038 95 D HN 0.163 nan 8.370 nan 0.000 0.513 96 c N 2.414 121.054 118.600 0.067 0.000 4.095 96 c HA 0.340 4.934 4.570 0.040 0.000 0.327 96 c C 0.818 174.938 174.090 0.048 0.000 1.811 96 c CA -0.576 55.857 56.329 0.175 0.000 1.785 96 c CB -1.144 41.404 42.510 0.065 0.000 3.120 96 c HN 0.450 nan 8.230 nan 0.000 0.621 97 L N 2.642 123.624 121.223 -0.402 0.000 2.400 97 L HA 0.303 4.667 4.340 0.040 0.000 0.262 97 L C -0.880 175.219 176.870 -1.286 0.000 1.309 97 L CA 0.728 55.093 54.840 -0.793 0.000 1.186 97 L CB -0.831 40.690 42.059 -0.898 0.000 1.375 97 L HN 0.411 nan 8.230 nan 0.000 0.433 98 Y N 1.649 121.820 120.300 -0.214 0.000 2.545 98 Y HA 0.628 5.203 4.550 0.040 0.000 0.348 98 Y C -0.036 176.069 175.900 0.342 0.000 1.002 98 Y CA -1.220 56.877 58.100 -0.006 0.000 1.039 98 Y CB 1.970 40.414 38.460 -0.027 0.000 1.271 98 Y HN 0.178 nan 8.280 nan 0.000 0.467 99 L N -0.081 121.355 121.223 0.354 0.000 2.309 99 L HA 0.780 5.144 4.340 0.040 0.000 0.261 99 L C -1.285 175.605 176.870 0.033 0.000 1.021 99 L CA -1.176 53.754 54.840 0.150 0.000 0.823 99 L CB 1.699 43.687 42.059 -0.118 0.000 1.366 99 L HN 0.457 nan 8.230 nan 0.000 0.423 100 N N 0.208 118.926 118.700 0.030 0.000 2.269 100 N HA 0.707 5.471 4.740 0.040 0.000 0.304 100 N C -1.482 173.943 175.510 -0.141 0.000 1.072 100 N CA -0.444 52.531 53.050 -0.126 0.000 0.802 100 N CB 2.819 41.213 38.487 -0.156 0.000 1.348 100 N HN 0.510 nan 8.380 nan 0.000 0.484 101 V N 1.656 121.425 119.914 -0.242 0.000 2.482 101 V HA 0.394 4.538 4.120 0.040 0.000 0.295 101 V C -0.757 175.328 176.094 -0.014 0.000 1.026 101 V CA -0.818 61.439 62.300 -0.072 0.000 0.856 101 V CB 1.788 33.428 31.823 -0.305 0.000 1.001 101 V HN 0.547 nan 8.190 nan 0.000 0.424 102 W N 3.280 124.695 121.300 0.192 0.000 2.433 102 W HA 0.657 5.341 4.660 0.041 0.000 0.315 102 W C 0.342 176.989 176.519 0.213 0.000 1.087 102 W CA -0.390 57.069 57.345 0.190 0.000 1.205 102 W CB 2.300 31.846 29.460 0.143 0.000 1.288 102 W HN 0.627 nan 8.180 nan 0.000 0.504 103 T N 0.394 115.220 114.554 0.453 0.000 2.896 103 T HA 0.528 4.903 4.350 0.040 0.000 0.297 103 T C -2.836 172.050 174.700 0.309 0.000 1.108 103 T CA -2.550 59.770 62.100 0.366 0.000 1.004 103 T CB 2.324 71.429 68.868 0.396 0.000 1.159 103 T HN -0.071 nan 8.240 nan 0.000 0.499 104 P HA 0.188 nan 4.420 nan 0.000 0.269 104 P C -1.554 175.881 177.300 0.226 0.000 1.209 104 P CA -0.154 63.069 63.100 0.206 0.000 0.776 104 P CB 0.037 31.826 31.700 0.149 0.000 0.876 105 Y N 4.597 124.959 120.300 0.103 0.000 2.356 105 Y HA 0.394 4.968 4.550 0.040 0.000 0.334 105 Y C -2.053 173.887 175.900 0.066 0.000 0.958 105 Y CA -2.424 55.727 58.100 0.086 0.000 1.196 105 Y CB 0.904 39.402 38.460 0.063 0.000 1.137 105 Y HN 0.343 nan 8.280 nan 0.000 0.485 106 P HA 0.198 nan 4.420 nan 0.000 0.276 106 P C -1.156 176.086 177.300 -0.097 0.000 1.244 106 P CA -0.707 62.185 63.100 -0.347 0.000 0.801 106 P CB 1.001 32.546 31.700 -0.259 0.000 1.006 107 R N 1.693 122.149 120.500 -0.074 0.000 2.502 107 R HA 0.138 4.502 4.340 0.040 0.000 0.292 107 R C -2.016 174.305 176.300 0.035 0.000 0.998 107 R CA -0.926 55.201 56.100 0.045 0.000 1.056 107 R CB -1.273 29.075 30.300 0.080 0.000 0.939 107 R HN 0.298 nan 8.270 nan 0.000 0.411 108 P HA -0.192 nan 4.420 nan 0.000 0.264 108 P C 0.034 177.353 177.300 0.032 0.000 1.156 108 P CA 0.988 64.121 63.100 0.055 0.000 0.756 108 P CB 0.591 32.335 31.700 0.074 0.000 0.764 109 A N 3.129 125.963 122.820 0.022 0.000 1.855 109 A HA -0.048 4.296 4.320 0.040 0.000 0.215 109 A C 1.047 178.639 177.584 0.012 0.000 1.191 109 A CA 1.878 53.922 52.037 0.012 0.000 0.613 109 A CB -0.921 18.085 19.000 0.010 0.000 0.829 109 A HN 0.644 nan 8.150 nan 0.000 0.442 110 S N -0.829 114.881 115.700 0.017 0.000 2.690 110 S HA 0.599 5.093 4.470 0.040 0.000 0.291 110 S C -3.050 171.564 174.600 0.023 0.000 1.138 110 S CA -1.842 56.366 58.200 0.014 0.000 1.013 110 S CB 0.869 64.075 63.200 0.009 0.000 1.053 110 S HN 0.059 nan 8.310 nan 0.000 0.539 111 P HA 0.159 nan 4.420 nan 0.000 0.260 111 P C -0.660 176.659 177.300 0.031 0.000 1.185 111 P CA 0.352 63.467 63.100 0.026 0.000 0.763 111 P CB -0.037 31.670 31.700 0.012 0.000 0.776 112 T N 5.430 120.015 114.554 0.051 0.000 2.859 112 T HA 0.422 4.796 4.350 0.040 0.000 0.281 112 T C -2.424 172.311 174.700 0.058 0.000 1.005 112 T CA -2.067 60.066 62.100 0.055 0.000 1.025 112 T CB 0.844 69.758 68.868 0.077 0.000 0.977 112 T HN 0.127 nan 8.240 nan 0.000 0.458 113 P HA 0.152 nan 4.420 nan 0.000 0.265 113 P C -0.888 176.460 177.300 0.079 0.000 1.187 113 P CA -0.264 62.862 63.100 0.044 0.000 0.766 113 P CB 0.368 32.077 31.700 0.016 0.000 0.820 114 V N 4.566 124.543 119.914 0.105 0.000 2.435 114 V HA 0.285 4.430 4.120 0.040 0.000 0.290 114 V C 0.242 176.428 176.094 0.153 0.000 1.030 114 V CA -0.540 61.845 62.300 0.142 0.000 0.881 114 V CB 1.159 33.079 31.823 0.161 0.000 0.983 114 V HN 0.308 nan 8.190 nan 0.000 0.445 115 L N 5.866 127.193 121.223 0.172 0.000 2.289 115 L HA 0.555 4.919 4.340 0.040 0.000 0.285 115 L C -0.263 176.860 176.870 0.423 0.000 1.049 115 L CA 0.132 55.106 54.840 0.222 0.000 0.804 115 L CB 1.278 43.349 42.059 0.020 0.000 1.195 115 L HN 0.459 nan 8.230 nan 0.000 0.428 116 I N 2.727 123.577 120.570 0.468 0.000 2.362 116 I HA 0.240 4.435 4.170 0.040 0.000 0.289 116 I C -0.825 175.566 176.117 0.457 0.000 0.994 116 I CA -0.464 61.080 61.300 0.407 0.000 1.158 116 I CB 1.347 39.458 38.000 0.186 0.000 1.315 116 I HN 0.645 nan 8.210 nan 0.000 0.451 117 W N 8.450 129.829 121.300 0.132 0.000 2.469 117 W HA 0.613 5.297 4.660 0.040 0.000 0.320 117 W C -1.682 174.716 176.519 -0.200 0.000 1.086 117 W CA -0.711 56.478 57.345 -0.260 0.000 1.211 117 W CB 1.403 30.713 29.460 -0.251 0.000 1.298 117 W HN 0.329 nan 8.180 nan 0.000 0.525 118 I N 8.778 128.564 120.570 -1.307 0.000 2.466 118 I HA 0.062 4.256 4.170 0.040 0.000 0.279 118 I C -0.290 174.986 176.117 -1.402 0.000 1.033 118 I CA -1.086 59.582 61.300 -1.053 0.000 1.123 118 I CB 0.692 38.274 38.000 -0.696 0.000 1.237 118 I HN 0.315 nan 8.210 nan 0.000 0.460 119 Y N 4.410 124.212 120.300 -0.830 0.000 2.607 119 Y HA 0.535 5.109 4.550 0.040 0.000 0.348 119 Y C 0.847 176.546 175.900 -0.335 0.000 1.261 119 Y CA -0.492 57.287 58.100 -0.534 0.000 1.480 119 Y CB -0.098 38.294 38.460 -0.114 0.000 1.358 119 Y HN 0.512 nan 8.280 nan 0.000 0.630 120 G N -0.819 107.944 108.800 -0.061 0.000 2.606 120 G HA2 0.499 4.483 3.960 0.040 0.000 0.262 120 G HA3 0.499 4.483 3.960 0.040 0.000 0.262 120 G C 0.369 175.172 174.900 -0.162 0.000 1.394 120 G CA -0.929 44.046 45.100 -0.209 0.000 1.044 120 G HN 1.705 nan 8.290 nan 0.000 0.553 121 G N -2.977 105.540 108.800 -0.471 0.000 2.240 121 G HA2 0.401 4.385 3.960 0.040 0.000 0.181 121 G HA3 0.401 4.385 3.960 0.040 0.000 0.181 121 G C 1.060 175.332 174.900 -1.047 0.000 1.028 121 G CA 0.774 45.500 45.100 -0.624 0.000 0.760 121 G HN 2.347 nan 8.290 nan 0.000 0.508 122 G N -0.318 107.868 108.800 -1.024 0.000 2.179 122 G HA2 -0.119 3.865 3.960 0.040 0.000 0.257 122 G HA3 -0.119 3.865 3.960 0.040 0.000 0.257 122 G C 0.874 175.388 174.900 -0.643 0.000 1.010 122 G CA 0.641 44.955 45.100 -1.310 0.000 0.736 122 G HN 1.722 nan 8.290 nan 0.000 0.513 123 F N -3.100 116.649 119.950 -0.334 0.000 3.021 123 F HA -0.325 4.226 4.527 0.040 0.000 0.294 123 F C 1.453 177.311 175.800 0.096 0.000 0.761 123 F CA 2.184 60.136 58.000 -0.079 0.000 1.102 123 F CB -2.152 36.646 39.000 -0.336 0.000 1.380 123 F HN 0.934 nan 8.300 nan 0.000 0.387 124 Y N -1.511 118.861 120.300 0.120 0.000 2.471 124 Y HA 0.647 5.221 4.550 0.040 0.000 0.249 124 Y C 0.619 176.646 175.900 0.212 0.000 1.116 124 Y CA 0.151 58.362 58.100 0.186 0.000 1.240 124 Y CB -0.076 38.442 38.460 0.096 0.000 1.251 124 Y HN 0.070 nan 8.280 nan 0.000 0.527 125 S N -0.894 114.640 115.700 -0.278 0.000 2.752 125 S HA 0.894 5.388 4.470 0.040 0.000 0.284 125 S C -0.077 174.402 174.600 -0.202 0.000 1.189 125 S CA -0.547 57.564 58.200 -0.147 0.000 0.835 125 S CB 1.513 64.642 63.200 -0.118 0.000 1.192 125 S HN 1.353 nan 8.310 nan 0.000 0.506 126 G N -0.679 107.965 108.800 -0.260 0.000 2.479 126 G HA2 0.538 4.523 3.960 0.040 0.000 0.686 126 G HA3 0.538 4.523 3.960 0.040 0.000 0.686 126 G C -0.653 173.639 174.900 -1.014 0.000 1.295 126 G CA -0.280 44.509 45.100 -0.520 0.000 0.922 126 G HN 2.290 nan 8.290 nan 0.000 0.582 127 A N -1.422 120.623 122.820 -1.292 0.000 2.590 127 A HA 0.960 5.304 4.320 0.040 0.000 0.296 127 A C 0.492 177.863 177.584 -0.355 0.000 1.050 127 A CA 0.748 52.267 52.037 -0.863 0.000 0.697 127 A CB 0.743 19.503 19.000 -0.400 0.000 1.277 127 A HN 2.606 nan 8.150 nan 0.000 0.411 128 A N 0.571 123.401 122.820 0.017 0.000 2.235 128 A HA 0.311 4.655 4.320 0.040 0.000 0.208 128 A C 1.537 179.141 177.584 0.033 0.000 1.172 128 A CA 1.720 53.956 52.037 0.332 0.000 0.786 128 A CB -0.564 18.695 19.000 0.432 0.000 0.804 128 A HN 1.878 nan 8.150 nan 0.000 0.479 129 S N -0.868 114.617 115.700 -0.358 0.000 2.539 129 S HA 0.379 4.873 4.470 0.040 0.000 0.221 129 S C 0.380 174.574 174.600 -0.677 0.000 0.987 129 S CA -0.508 57.045 58.200 -1.078 0.000 0.929 129 S CB -0.518 61.966 63.200 -1.193 0.000 0.832 129 S HN 0.341 nan 8.310 nan 0.000 0.492 130 L N 2.140 123.095 121.223 -0.446 0.000 2.483 130 L HA 0.188 4.552 4.340 0.040 0.000 0.275 130 L C 1.213 177.760 176.870 -0.538 0.000 1.220 130 L CA -0.476 54.038 54.840 -0.542 0.000 0.833 130 L CB 0.217 41.811 42.059 -0.775 0.000 1.102 130 L HN 0.072 nan 8.230 nan 0.000 0.490 131 D N 0.898 121.027 120.400 -0.453 0.000 2.149 131 D HA -0.143 4.521 4.640 0.040 0.000 0.198 131 D C 2.005 178.042 176.300 -0.439 0.000 0.990 131 D CA 1.404 55.205 54.000 -0.331 0.000 0.839 131 D CB -0.088 40.556 40.800 -0.260 0.000 0.948 131 D HN 0.523 nan 8.370 nan 0.000 0.460 132 V N -1.262 118.247 119.914 -0.675 0.000 3.078 132 V HA -0.160 3.985 4.120 0.040 0.000 0.265 132 V C 1.003 176.530 176.094 -0.945 0.000 1.122 132 V CA 1.060 62.937 62.300 -0.705 0.000 1.141 132 V CB -1.171 30.215 31.823 -0.729 0.000 0.735 132 V HN 0.073 nan 8.190 nan 0.000 0.498 133 Y N 0.116 119.840 120.300 -0.960 0.000 2.607 133 Y HA 0.470 5.044 4.550 0.040 0.000 0.266 133 Y C 0.759 175.963 175.900 -1.161 0.000 1.178 133 Y CA -2.059 55.047 58.100 -1.657 0.000 1.226 133 Y CB -0.761 37.114 38.460 -0.975 0.000 1.144 133 Y HN 0.253 nan 8.280 nan 0.000 0.528 134 D N 0.767 120.802 120.400 -0.610 0.000 2.401 134 D HA 0.099 4.763 4.640 0.040 0.000 0.254 134 D C 1.305 177.223 176.300 -0.637 0.000 1.192 134 D CA 0.408 54.127 54.000 -0.468 0.000 0.885 134 D CB 1.372 42.061 40.800 -0.184 0.000 1.147 134 D HN 0.439 nan 8.370 nan 0.000 0.478 135 G N 4.110 111.944 108.800 -1.610 0.000 3.141 135 G HA2 -0.115 3.870 3.960 0.040 0.000 0.218 135 G HA3 -0.115 3.870 3.960 0.040 0.000 0.218 135 G C 1.435 175.800 174.900 -0.892 0.000 1.170 135 G CA -0.108 44.308 45.100 -1.139 0.000 0.769 135 G HN 0.567 nan 8.290 nan 0.000 0.546 136 R N -0.123 119.805 120.500 -0.953 0.000 2.075 136 R HA -0.044 4.320 4.340 0.040 0.000 0.232 136 R C 1.622 177.677 176.300 -0.410 0.000 1.126 136 R CA 1.122 56.887 56.100 -0.558 0.000 0.963 136 R CB -0.805 29.169 30.300 -0.544 0.000 0.858 136 R HN 0.290 nan 8.270 nan 0.000 0.435 137 F N 1.871 121.755 119.950 -0.110 0.000 2.102 137 F HA -0.058 4.494 4.527 0.041 0.000 0.298 137 F C 2.541 178.308 175.800 -0.056 0.000 1.105 137 F CA 1.036 58.995 58.000 -0.067 0.000 1.239 137 F CB -0.779 38.175 39.000 -0.078 0.000 0.991 137 F HN -0.117 nan 8.300 nan 0.000 0.474 138 L N -0.160 121.127 121.223 0.107 0.000 2.046 138 L HA -0.210 4.154 4.340 0.040 0.000 0.208 138 L C 2.745 179.648 176.870 0.055 0.000 1.077 138 L CA 1.178 56.041 54.840 0.037 0.000 0.747 138 L CB -1.016 41.024 42.059 -0.032 0.000 0.896 138 L HN 0.200 nan 8.230 nan 0.000 0.432 139 A N -1.038 121.819 122.820 0.061 0.000 1.902 139 A HA -0.238 4.106 4.320 0.040 0.000 0.217 139 A C 2.285 179.932 177.584 0.106 0.000 1.181 139 A CA 1.605 53.713 52.037 0.118 0.000 0.623 139 A CB -0.411 18.703 19.000 0.189 0.000 0.818 139 A HN 0.419 nan 8.150 nan 0.000 0.443 140 Q N -0.239 119.611 119.800 0.082 0.000 2.036 140 Q HA -0.051 4.313 4.340 0.040 0.000 0.195 140 Q C 2.218 178.266 176.000 0.081 0.000 0.971 140 Q CA 1.836 57.690 55.803 0.085 0.000 0.826 140 Q CB -0.285 28.491 28.738 0.065 0.000 0.896 140 Q HN 0.396 nan 8.270 nan 0.000 0.449 141 V N 1.623 121.587 119.914 0.083 0.000 2.407 141 V HA -0.165 3.979 4.120 0.040 0.000 0.248 141 V C 1.772 177.895 176.094 0.050 0.000 1.055 141 V CA 1.796 64.136 62.300 0.066 0.000 1.049 141 V CB -0.261 31.601 31.823 0.065 0.000 0.662 141 V HN 0.276 nan 8.190 nan 0.000 0.455 142 E N -0.799 119.431 120.200 0.050 0.000 2.489 142 E HA 0.221 4.595 4.350 0.040 0.000 0.204 142 E C 1.741 178.371 176.600 0.051 0.000 1.006 142 E CA 0.746 57.170 56.400 0.040 0.000 0.936 142 E CB 0.774 30.490 29.700 0.028 0.000 1.002 142 E HN 0.588 nan 8.360 nan 0.000 0.488 143 G N 1.727 110.568 108.800 0.068 0.000 2.155 143 G HA2 -0.319 3.665 3.960 0.040 0.000 0.257 143 G HA3 -0.319 3.665 3.960 0.040 0.000 0.257 143 G C 0.558 175.512 174.900 0.091 0.000 0.983 143 G CA 0.388 45.536 45.100 0.080 0.000 0.676 143 G HN 0.478 nan 8.290 nan 0.000 0.528 144 A N -0.583 122.290 122.820 0.089 0.000 2.407 144 A HA 0.644 4.988 4.320 0.040 0.000 0.248 144 A C 0.594 178.269 177.584 0.153 0.000 1.082 144 A CA 0.271 52.368 52.037 0.100 0.000 0.785 144 A CB 1.006 20.049 19.000 0.072 0.000 1.020 144 A HN 1.122 nan 8.150 nan 0.000 0.489 145 V N 3.446 123.458 119.914 0.164 0.000 2.368 145 V HA 0.272 4.416 4.120 0.040 0.000 0.266 145 V C -0.055 176.185 176.094 0.243 0.000 1.045 145 V CA 0.006 62.433 62.300 0.212 0.000 0.899 145 V CB 0.557 32.493 31.823 0.188 0.000 1.006 145 V HN 0.705 nan 8.190 nan 0.000 0.470 146 L N 6.653 128.075 121.223 0.333 0.000 2.296 146 L HA 0.688 5.052 4.340 0.040 0.000 0.286 146 L C -0.615 176.564 176.870 0.515 0.000 1.023 146 L CA -0.101 54.992 54.840 0.423 0.000 0.812 146 L CB 1.672 43.983 42.059 0.419 0.000 1.223 146 L HN 0.426 nan 8.230 nan 0.000 0.421 147 V N 3.457 123.647 119.914 0.460 0.000 2.540 147 V HA 0.676 4.820 4.120 0.040 0.000 0.302 147 V C -0.351 176.014 176.094 0.452 0.000 1.035 147 V CA -0.451 62.076 62.300 0.378 0.000 0.873 147 V CB 1.877 33.845 31.823 0.242 0.000 0.992 147 V HN 0.843 nan 8.190 nan 0.000 0.428 148 S N 5.647 121.620 115.700 0.455 0.000 2.548 148 S HA 0.900 5.394 4.470 0.040 0.000 0.286 148 S C -0.780 173.992 174.600 0.286 0.000 1.098 148 S CA -0.798 57.666 58.200 0.440 0.000 0.930 148 S CB 2.280 65.870 63.200 0.649 0.000 1.070 148 S HN 0.865 nan 8.310 nan 0.000 0.480 149 M N 1.477 121.211 119.600 0.224 0.000 2.591 149 M HA 0.637 5.141 4.480 0.040 0.000 0.306 149 M C -1.715 174.820 176.300 0.391 0.000 1.190 149 M CA -0.561 54.864 55.300 0.209 0.000 0.889 149 M CB 1.223 33.768 32.600 -0.091 0.000 1.728 149 M HN 0.561 nan 8.290 nan 0.000 0.458 150 N N 2.628 121.621 118.700 0.489 0.000 2.529 150 N HA 0.557 5.322 4.740 0.040 0.000 0.278 150 N C -1.374 174.435 175.510 0.499 0.000 1.146 150 N CA 0.140 53.494 53.050 0.507 0.000 0.980 150 N CB 0.515 39.215 38.487 0.355 0.000 1.124 150 N HN 0.714 nan 8.380 nan 0.000 0.458 151 Y N -1.841 118.641 120.300 0.303 0.000 2.524 151 Y HA 0.567 5.141 4.550 0.040 0.000 0.347 151 Y C 0.016 176.046 175.900 0.215 0.000 1.005 151 Y CA -1.342 56.876 58.100 0.197 0.000 1.025 151 Y CB 0.877 39.380 38.460 0.072 0.000 1.275 151 Y HN 0.213 nan 8.280 nan 0.000 0.460 152 R N 1.727 122.340 120.500 0.190 0.000 2.623 152 R HA 0.472 4.836 4.340 0.040 0.000 0.271 152 R C -0.278 176.140 176.300 0.196 0.000 1.043 152 R CA 0.089 56.261 56.100 0.121 0.000 1.083 152 R CB 0.697 31.041 30.300 0.074 0.000 0.974 152 R HN 0.739 nan 8.270 nan 0.000 0.436 153 V N -0.918 119.168 119.914 0.286 0.000 3.156 153 V HA 0.849 4.993 4.120 0.040 0.000 0.311 153 V C 0.732 177.139 176.094 0.521 0.000 1.208 153 V CA -0.232 62.353 62.300 0.476 0.000 1.063 153 V CB 1.068 33.077 31.823 0.309 0.000 1.098 153 V HN 0.954 nan 8.190 nan 0.000 0.452 154 G N 1.598 110.727 108.800 0.549 0.000 2.594 154 G HA2 -0.330 3.654 3.960 0.040 0.000 0.297 154 G HA3 -0.330 3.654 3.960 0.040 0.000 0.297 154 G C 1.118 176.137 174.900 0.199 0.000 1.273 154 G CA 1.949 47.296 45.100 0.412 0.000 0.974 154 G HN 2.406 nan 8.290 nan 0.000 0.552 155 T N -1.841 112.557 114.554 -0.260 0.000 2.788 155 T HA 0.003 4.377 4.350 0.040 0.000 0.268 155 T C 2.167 176.714 174.700 -0.255 0.000 1.044 155 T CA 2.413 64.105 62.100 -0.681 0.000 1.139 155 T CB -0.367 67.948 68.868 -0.922 0.000 0.867 155 T HN 0.512 nan 8.240 nan 0.000 0.454 156 F N 2.173 122.186 119.950 0.106 0.000 2.216 156 F HA 0.240 4.791 4.527 0.040 0.000 0.300 156 F C 2.729 178.529 175.800 -0.000 0.000 1.085 156 F CA 0.776 58.799 58.000 0.038 0.000 1.326 156 F CB -0.898 38.090 39.000 -0.020 0.000 1.027 156 F HN 0.374 nan 8.300 nan 0.000 0.497 157 G N -2.090 106.785 108.800 0.125 0.000 2.719 157 G HA2 0.020 4.004 3.960 0.040 0.000 0.211 157 G HA3 0.020 4.004 3.960 0.040 0.000 0.211 157 G C 0.948 175.422 174.900 -0.711 0.000 1.140 157 G CA 0.245 45.166 45.100 -0.300 0.000 0.790 157 G HN 0.331 nan 8.290 nan 0.000 0.529 158 F N -0.734 119.287 119.950 0.119 0.000 2.871 158 F HA 0.432 4.984 4.527 0.041 0.000 0.344 158 F C 0.539 176.381 175.800 0.069 0.000 1.078 158 F CA -1.025 57.020 58.000 0.076 0.000 1.149 158 F CB 0.356 39.411 39.000 0.092 0.000 1.087 158 F HN -0.093 nan 8.300 nan 0.000 0.557 159 L N 2.097 123.337 121.223 0.028 0.000 2.534 159 L HA 0.500 4.864 4.340 0.040 0.000 0.271 159 L C -0.017 176.791 176.870 -0.102 0.000 1.178 159 L CA 0.028 54.779 54.840 -0.149 0.000 0.907 159 L CB 0.240 41.914 42.059 -0.643 0.000 1.164 159 L HN 0.109 nan 8.230 nan 0.000 0.482 160 A N 6.446 129.259 122.820 -0.012 0.000 2.371 160 A HA 0.651 4.995 4.320 0.040 0.000 0.311 160 A C -0.927 176.625 177.584 -0.053 0.000 1.068 160 A CA -0.625 51.393 52.037 -0.032 0.000 0.744 160 A CB 1.197 20.210 19.000 0.022 0.000 1.239 160 A HN 0.720 nan 8.150 nan 0.000 0.435 161 L N 3.455 124.635 121.223 -0.072 0.000 2.360 161 L HA 0.295 4.659 4.340 0.040 0.000 0.265 161 L C -2.403 174.451 176.870 -0.026 0.000 1.066 161 L CA -1.834 52.976 54.840 -0.052 0.000 0.929 161 L CB 1.133 43.151 42.059 -0.069 0.000 1.306 161 L HN 0.419 nan 8.230 nan 0.000 0.434 162 P HA 0.016 nan 4.420 nan 0.000 0.265 162 P C 1.003 178.301 177.300 -0.002 0.000 1.187 162 P CA 0.880 63.979 63.100 -0.002 0.000 0.766 162 P CB 0.899 32.598 31.700 -0.002 0.000 0.820 163 G N 1.627 110.430 108.800 0.005 0.000 2.320 163 G HA2 -0.275 3.709 3.960 0.040 0.000 0.242 163 G HA3 -0.275 3.709 3.960 0.040 0.000 0.242 163 G C 0.515 175.419 174.900 0.006 0.000 1.033 163 G CA 0.352 45.456 45.100 0.006 0.000 0.620 163 G HN 0.844 nan 8.290 nan 0.000 0.517 164 S N 0.143 115.844 115.700 0.001 0.000 2.584 164 S HA 0.486 4.980 4.470 0.040 0.000 0.270 164 S C 1.262 175.869 174.600 0.013 0.000 1.346 164 S CA 0.680 58.881 58.200 0.002 0.000 1.018 164 S CB 1.654 64.849 63.200 -0.009 0.000 0.899 164 S HN 0.545 nan 8.310 nan 0.000 0.542 165 R N 0.555 121.065 120.500 0.017 0.000 2.161 165 R HA -0.009 4.355 4.340 0.040 0.000 0.213 165 R C 1.593 177.913 176.300 0.035 0.000 1.055 165 R CA 1.169 57.284 56.100 0.025 0.000 0.996 165 R CB -0.084 30.230 30.300 0.023 0.000 0.901 165 R HN 0.920 nan 8.270 nan 0.000 0.456 166 E N -0.900 119.322 120.200 0.036 0.000 2.415 166 E HA 0.063 4.437 4.350 0.040 0.000 0.197 166 E C -0.166 176.485 176.600 0.084 0.000 1.007 166 E CA 0.300 56.736 56.400 0.059 0.000 0.890 166 E CB 0.829 30.565 29.700 0.060 0.000 0.891 166 E HN 0.166 nan 8.360 nan 0.000 0.496 167 A N 2.666 125.509 122.820 0.038 0.000 3.266 167 A HA 0.356 4.700 4.320 0.040 0.000 0.310 167 A C -2.234 175.351 177.584 0.002 0.000 1.066 167 A CA -1.009 51.040 52.037 0.020 0.000 0.839 167 A CB 0.880 19.808 19.000 -0.121 0.000 1.192 167 A HN -0.076 nan 8.150 nan 0.000 0.496 168 P HA 0.186 nan 4.420 nan 0.000 0.245 168 P C 0.878 178.193 177.300 0.026 0.000 1.212 168 P CA 1.463 64.579 63.100 0.027 0.000 0.774 168 P CB 0.077 31.802 31.700 0.042 0.000 0.999 169 G N 1.328 110.140 108.800 0.020 0.000 2.781 169 G HA2 -0.225 3.759 3.960 0.040 0.000 0.683 169 G HA3 -0.225 3.759 3.960 0.040 0.000 0.683 169 G C 0.008 174.908 174.900 0.000 0.000 1.390 169 G CA -0.282 44.833 45.100 0.025 0.000 0.850 169 G HN 0.179 nan 8.290 nan 0.000 0.557 170 N N -2.436 116.263 118.700 -0.001 0.000 2.753 170 N HA -0.285 4.479 4.740 0.040 0.000 0.251 170 N C 1.817 177.184 175.510 -0.238 0.000 1.097 170 N CA 2.341 55.325 53.050 -0.111 0.000 0.786 170 N CB -1.653 36.702 38.487 -0.220 0.000 1.137 170 N HN 1.898 nan 8.380 nan 0.000 0.566 171 V N -2.696 117.071 119.914 -0.245 0.000 2.515 171 V HA 0.035 4.179 4.120 0.040 0.000 0.250 171 V C 2.356 178.310 176.094 -0.233 0.000 1.058 171 V CA 2.213 64.416 62.300 -0.162 0.000 1.064 171 V CB -0.906 30.875 31.823 -0.070 0.000 0.675 171 V HN 0.252 nan 8.190 nan 0.000 0.461 172 G N 0.540 108.988 108.800 -0.587 0.000 2.442 172 G HA2 -0.187 3.797 3.960 0.040 0.000 0.219 172 G HA3 -0.187 3.797 3.960 0.040 0.000 0.219 172 G C 1.570 176.416 174.900 -0.090 0.000 1.141 172 G CA 1.320 46.185 45.100 -0.392 0.000 0.763 172 G HN 0.543 nan 8.290 nan 0.000 0.554 173 L N -0.356 120.758 121.223 -0.180 0.000 2.179 173 L HA 0.150 4.514 4.340 0.040 0.000 0.208 173 L C 2.778 179.659 176.870 0.018 0.000 1.096 173 L CA 0.219 54.946 54.840 -0.189 0.000 0.779 173 L CB -0.188 41.452 42.059 -0.698 0.000 0.922 173 L HN 0.187 nan 8.230 nan 0.000 0.443 174 L N -0.702 120.545 121.223 0.039 0.000 2.156 174 L HA -0.165 4.199 4.340 0.040 0.000 0.208 174 L C 2.123 179.108 176.870 0.191 0.000 1.095 174 L CA 0.680 55.640 54.840 0.201 0.000 0.770 174 L CB -0.486 41.671 42.059 0.164 0.000 0.914 174 L HN 0.246 nan 8.230 nan 0.000 0.439 175 D N 0.153 120.651 120.400 0.163 0.000 2.106 175 D HA -0.235 4.430 4.640 0.040 0.000 0.191 175 D C 2.242 178.670 176.300 0.214 0.000 0.997 175 D CA 1.350 55.514 54.000 0.273 0.000 0.834 175 D CB -0.190 40.785 40.800 0.292 0.000 0.956 175 D HN 0.384 nan 8.370 nan 0.000 0.448 176 Q N 0.032 119.899 119.800 0.112 0.000 2.061 176 Q HA -0.159 4.205 4.340 0.040 0.000 0.204 176 Q C 2.318 178.299 176.000 -0.031 0.000 0.984 176 Q CA 1.215 57.009 55.803 -0.014 0.000 0.846 176 Q CB -0.109 28.622 28.738 -0.012 0.000 0.902 176 Q HN 0.214 nan 8.270 nan 0.000 0.421 177 R N 0.572 121.163 120.500 0.151 0.000 2.081 177 R HA -0.186 4.178 4.340 0.040 0.000 0.235 177 R C 2.229 178.576 176.300 0.079 0.000 1.131 177 R CA 1.155 57.333 56.100 0.130 0.000 0.960 177 R CB -0.293 30.191 30.300 0.305 0.000 0.856 177 R HN 0.228 nan 8.270 nan 0.000 0.436 178 L N 0.877 122.175 121.223 0.125 0.000 2.042 178 L HA -0.095 4.270 4.340 0.040 0.000 0.210 178 L C 2.285 179.184 176.870 0.049 0.000 1.076 178 L CA 2.177 57.112 54.840 0.157 0.000 0.749 178 L CB -0.744 41.486 42.059 0.285 0.000 0.893 178 L HN 0.295 nan 8.230 nan 0.000 0.432 179 A N -1.103 121.552 122.820 -0.275 0.000 1.933 179 A HA -0.146 4.199 4.320 0.040 0.000 0.218 179 A C 2.087 179.603 177.584 -0.113 0.000 1.175 179 A CA 1.691 53.391 52.037 -0.562 0.000 0.628 179 A CB -0.708 17.681 19.000 -1.018 0.000 0.814 179 A HN 0.411 nan 8.150 nan 0.000 0.444 180 L N -0.576 120.597 121.223 -0.084 0.000 2.046 180 L HA -0.170 4.194 4.340 0.040 0.000 0.208 180 L C 2.593 179.505 176.870 0.070 0.000 1.077 180 L CA 2.044 56.879 54.840 -0.008 0.000 0.747 180 L CB -1.199 40.814 42.059 -0.076 0.000 0.896 180 L HN 0.451 nan 8.230 nan 0.000 0.432 181 Q N -1.998 117.853 119.800 0.086 0.000 2.096 181 Q HA -0.275 4.089 4.340 0.040 0.000 0.204 181 Q C 2.139 178.224 176.000 0.141 0.000 0.982 181 Q CA 2.127 57.992 55.803 0.103 0.000 0.850 181 Q CB -0.398 28.408 28.738 0.114 0.000 0.901 181 Q HN 0.569 nan 8.270 nan 0.000 0.422 182 W N -0.369 120.941 121.300 0.016 0.000 2.338 182 W HA -0.233 4.451 4.660 0.040 0.000 0.304 182 W C 1.684 178.232 176.519 0.049 0.000 1.212 182 W CA 1.467 58.843 57.345 0.051 0.000 1.264 182 W CB -0.118 29.377 29.460 0.057 0.000 1.142 182 W HN -0.081 nan 8.180 nan 0.000 0.512 183 V N 0.785 120.874 119.914 0.291 0.000 2.295 183 V HA -0.342 3.802 4.120 0.040 0.000 0.246 183 V C 2.537 178.638 176.094 0.012 0.000 1.049 183 V CA 2.032 64.428 62.300 0.160 0.000 1.024 183 V CB -1.174 30.771 31.823 0.204 0.000 0.648 183 V HN 0.166 nan 8.190 nan 0.000 0.447 184 Q N 0.254 120.070 119.800 0.027 0.000 2.112 184 Q HA -0.249 4.115 4.340 0.040 0.000 0.206 184 Q C 2.150 178.117 176.000 -0.056 0.000 0.987 184 Q CA 1.917 57.723 55.803 0.006 0.000 0.858 184 Q CB -0.362 28.386 28.738 0.017 0.000 0.905 184 Q HN 0.746 nan 8.270 nan 0.000 0.420 185 E N -0.698 119.427 120.200 -0.125 0.000 2.385 185 E HA 0.020 4.394 4.350 0.040 0.000 0.194 185 E C 1.007 177.442 176.600 -0.276 0.000 1.013 185 E CA 0.219 56.513 56.400 -0.178 0.000 0.866 185 E CB 0.308 29.900 29.700 -0.179 0.000 0.832 185 E HN 0.308 nan 8.360 nan 0.000 0.500 186 N N -0.296 118.163 118.700 -0.401 0.000 2.166 186 N HA 0.042 4.806 4.740 0.040 0.000 0.222 186 N C 1.301 176.715 175.510 -0.161 0.000 1.282 186 N CA 0.037 52.800 53.050 -0.479 0.000 0.890 186 N CB 0.600 38.358 38.487 -1.215 0.000 1.114 186 N HN 0.029 nan 8.380 nan 0.000 0.494 187 I N 2.423 122.946 120.570 -0.078 0.000 2.394 187 I HA -0.053 4.141 4.170 0.040 0.000 0.251 187 I C 2.211 178.436 176.117 0.180 0.000 1.136 187 I CA 0.679 62.058 61.300 0.131 0.000 1.425 187 I CB -0.232 37.827 38.000 0.099 0.000 1.079 187 I HN 0.069 nan 8.210 nan 0.000 0.425 188 A N 0.493 123.349 122.820 0.060 0.000 1.958 188 A HA -0.265 4.080 4.320 0.040 0.000 0.221 188 A C 2.475 180.065 177.584 0.009 0.000 1.178 188 A CA 2.017 54.072 52.037 0.031 0.000 0.642 188 A CB -1.285 17.708 19.000 -0.013 0.000 0.816 188 A HN 0.495 nan 8.150 nan 0.000 0.453 189 A N -1.984 120.808 122.820 -0.047 0.000 2.125 189 A HA 0.082 4.426 4.320 0.040 0.000 0.219 189 A C 1.561 178.950 177.584 -0.326 0.000 1.156 189 A CA 1.310 53.217 52.037 -0.216 0.000 0.671 189 A CB -0.614 18.172 19.000 -0.356 0.000 0.794 189 A HN 0.521 nan 8.150 nan 0.000 0.459 190 F N -1.533 118.366 119.950 -0.085 0.000 2.678 190 F HA 0.383 4.935 4.527 0.041 0.000 0.305 190 F C 1.723 177.530 175.800 0.012 0.000 1.090 190 F CA 0.448 58.411 58.000 -0.061 0.000 1.272 190 F CB 0.335 39.307 39.000 -0.047 0.000 1.060 190 F HN 0.306 nan 8.300 nan 0.000 0.576 191 G N 0.597 109.490 108.800 0.156 0.000 2.132 191 G HA2 -0.171 3.813 3.960 0.040 0.000 0.234 191 G HA3 -0.171 3.813 3.960 0.040 0.000 0.234 191 G C 0.611 175.584 174.900 0.123 0.000 0.989 191 G CA -0.224 44.941 45.100 0.108 0.000 0.676 191 G HN 0.715 nan 8.290 nan 0.000 0.522 192 G N -0.711 108.180 108.800 0.153 0.000 2.507 192 G HA2 0.475 4.459 3.960 0.040 0.000 0.271 192 G HA3 0.475 4.459 3.960 0.040 0.000 0.271 192 G C -0.637 174.315 174.900 0.088 0.000 1.189 192 G CA 0.210 45.386 45.100 0.127 0.000 0.859 192 G HN 0.229 nan 8.290 nan 0.000 0.542 193 D N 0.885 121.330 120.400 0.074 0.000 2.412 193 D HA 0.296 4.960 4.640 0.040 0.000 0.224 193 D C -1.271 175.070 176.300 0.068 0.000 1.093 193 D CA -2.356 51.672 54.000 0.048 0.000 0.850 193 D CB 1.929 42.742 40.800 0.022 0.000 1.046 193 D HN 0.029 nan 8.370 nan 0.000 0.507 194 P HA -0.044 nan 4.420 nan 0.000 0.234 194 P C 1.249 178.646 177.300 0.162 0.000 1.167 194 P CA 0.512 63.674 63.100 0.104 0.000 0.763 194 P CB 0.242 31.979 31.700 0.063 0.000 0.835 195 M N -1.221 118.412 119.600 0.055 0.000 2.561 195 M HA 0.068 4.572 4.480 0.040 0.000 0.238 195 M C 0.594 176.626 176.300 -0.446 0.000 1.131 195 M CA 0.503 55.745 55.300 -0.096 0.000 1.046 195 M CB 0.270 32.795 32.600 -0.124 0.000 1.532 195 M HN -0.186 nan 8.290 nan 0.000 0.497 196 S N 0.822 116.453 115.700 -0.115 0.000 2.389 196 S HA 0.448 4.943 4.470 0.040 0.000 0.201 196 S C -1.049 173.665 174.600 0.190 0.000 1.422 196 S CA -0.610 57.557 58.200 -0.055 0.000 1.216 196 S CB 0.433 63.587 63.200 -0.076 0.000 1.130 196 S HN -0.030 nan 8.310 nan 0.000 0.465 197 V N 4.076 124.282 119.914 0.486 0.000 2.448 197 V HA 0.589 4.733 4.120 0.040 0.000 0.295 197 V C -0.042 176.230 176.094 0.295 0.000 1.025 197 V CA -0.473 62.020 62.300 0.321 0.000 0.859 197 V CB 1.934 33.912 31.823 0.259 0.000 0.988 197 V HN 0.755 nan 8.190 nan 0.000 0.431 198 T N 6.306 120.990 114.554 0.217 0.000 2.809 198 T HA 0.586 4.960 4.350 0.040 0.000 0.284 198 T C -0.332 174.495 174.700 0.212 0.000 0.992 198 T CA -0.374 61.851 62.100 0.208 0.000 0.957 198 T CB 0.978 69.926 68.868 0.133 0.000 0.942 198 T HN 0.340 nan 8.240 nan 0.000 0.439 199 L N 4.724 126.029 121.223 0.136 0.000 2.350 199 L HA 0.688 5.052 4.340 0.040 0.000 0.275 199 L C -0.448 176.603 176.870 0.301 0.000 1.099 199 L CA -0.808 54.079 54.840 0.079 0.000 0.808 199 L CB 0.420 42.286 42.059 -0.321 0.000 1.149 199 L HN 0.627 nan 8.230 nan 0.000 0.442 200 F N 0.358 120.343 119.950 0.057 0.000 2.613 200 F HA 0.955 5.506 4.527 0.040 0.000 0.310 200 F C -0.313 175.418 175.800 -0.115 0.000 1.085 200 F CA -1.611 56.458 58.000 0.116 0.000 0.945 200 F CB 1.560 40.787 39.000 0.378 0.000 1.298 200 F HN 0.451 nan 8.300 nan 0.000 0.455 201 G N 1.019 109.672 108.800 -0.244 0.000 2.646 201 G HA2 0.502 4.487 3.960 0.040 0.000 0.291 201 G HA3 0.502 4.487 3.960 0.040 0.000 0.291 201 G C -2.538 172.117 174.900 -0.409 0.000 1.445 201 G CA -0.773 43.837 45.100 -0.816 0.000 0.814 201 G HN 0.869 nan 8.290 nan 0.000 0.495 202 E N 0.356 120.265 120.200 -0.485 0.000 2.288 202 E HA 0.625 4.999 4.350 0.040 0.000 0.268 202 E C 0.725 177.206 176.600 -0.198 0.000 0.885 202 E CA 0.254 56.587 56.400 -0.112 0.000 0.767 202 E CB 2.296 32.095 29.700 0.165 0.000 1.220 202 E HN 0.909 nan 8.360 nan 0.000 0.427 203 S N 2.852 118.470 115.700 -0.137 0.000 4.137 203 S HA -0.411 4.083 4.470 0.040 0.000 0.550 203 S C 1.523 176.040 174.600 -0.137 0.000 1.887 203 S CA 2.608 60.683 58.200 -0.208 0.000 4.230 203 S CB -1.581 61.330 63.200 -0.483 0.000 0.378 203 S HN 0.984 nan 8.310 nan 0.000 0.490 204 A N 1.165 123.753 122.820 -0.387 0.000 2.019 204 A HA 0.172 4.517 4.320 0.040 0.000 0.219 204 A C 2.541 179.774 177.584 -0.586 0.000 1.164 204 A CA 2.362 54.024 52.037 -0.625 0.000 0.644 204 A CB -1.618 16.599 19.000 -1.306 0.000 0.805 204 A HN 1.580 nan 8.150 nan 0.000 0.449 205 G N -0.456 108.066 108.800 -0.462 0.000 2.418 205 G HA2 0.012 3.996 3.960 0.040 0.000 0.217 205 G HA3 0.012 3.996 3.960 0.040 0.000 0.217 205 G C 1.746 176.437 174.900 -0.347 0.000 1.158 205 G CA 1.359 46.171 45.100 -0.480 0.000 0.771 205 G HN 0.756 nan 8.290 nan 0.000 0.545 206 A N 1.407 124.089 122.820 -0.230 0.000 1.858 206 A HA 0.214 4.558 4.320 0.040 0.000 0.216 206 A C 2.872 180.407 177.584 -0.082 0.000 1.190 206 A CA 2.464 54.432 52.037 -0.115 0.000 0.617 206 A CB -1.050 17.935 19.000 -0.025 0.000 0.827 206 A HN 0.908 nan 8.150 nan 0.000 0.443 207 A N -0.311 122.490 122.820 -0.032 0.000 1.927 207 A HA -0.193 4.151 4.320 0.040 0.000 0.220 207 A C 2.452 180.018 177.584 -0.029 0.000 1.185 207 A CA 2.513 54.529 52.037 -0.036 0.000 0.639 207 A CB -1.063 17.953 19.000 0.027 0.000 0.820 207 A HN 0.509 nan 8.150 nan 0.000 0.451 208 S N -0.611 115.063 115.700 -0.043 0.000 2.368 208 S HA -0.128 4.367 4.470 0.040 0.000 0.225 208 S C 1.892 176.426 174.600 -0.110 0.000 1.030 208 S CA 1.366 59.504 58.200 -0.104 0.000 0.999 208 S CB -0.597 62.482 63.200 -0.202 0.000 0.844 208 S HN 0.369 nan 8.310 nan 0.000 0.459 209 V N 1.922 121.774 119.914 -0.104 0.000 2.287 209 V HA -0.195 3.949 4.120 0.040 0.000 0.248 209 V C 2.682 178.742 176.094 -0.056 0.000 1.053 209 V CA 2.045 64.294 62.300 -0.086 0.000 1.027 209 V CB -1.606 30.138 31.823 -0.132 0.000 0.646 209 V HN 0.598 nan 8.190 nan 0.000 0.447 210 G N -0.810 107.952 108.800 -0.063 0.000 2.442 210 G HA2 -0.295 3.689 3.960 0.040 0.000 0.219 210 G HA3 -0.295 3.689 3.960 0.040 0.000 0.219 210 G C 1.612 176.506 174.900 -0.011 0.000 1.141 210 G CA 1.234 46.305 45.100 -0.047 0.000 0.763 210 G HN 0.466 nan 8.290 nan 0.000 0.554 211 M N -0.148 119.425 119.600 -0.045 0.000 2.229 211 M HA 0.024 4.528 4.480 0.040 0.000 0.264 211 M C 2.268 178.618 176.300 0.082 0.000 1.063 211 M CA 0.873 56.180 55.300 0.011 0.000 1.114 211 M CB -0.256 32.324 32.600 -0.033 0.000 1.387 211 M HN 0.209 nan 8.290 nan 0.000 0.420 212 H N -0.098 119.079 119.070 0.179 0.000 2.423 212 H HA -0.023 4.557 4.556 0.040 0.000 0.297 212 H C 2.149 177.684 175.328 0.345 0.000 1.075 212 H CA 1.375 57.557 56.048 0.223 0.000 1.342 212 H CB -0.337 29.467 29.762 0.069 0.000 1.395 212 H HN 0.423 nan 8.280 nan 0.000 0.530 213 I N 0.691 121.501 120.570 0.399 0.000 2.226 213 I HA -0.245 3.949 4.170 0.040 0.000 0.245 213 I C 1.785 178.065 176.117 0.272 0.000 1.100 213 I CA 1.178 62.713 61.300 0.392 0.000 1.374 213 I CB -0.043 38.083 38.000 0.210 0.000 1.057 213 I HN 0.118 nan 8.210 nan 0.000 0.413 214 L N -0.909 120.429 121.223 0.191 0.000 2.607 214 L HA 0.134 4.499 4.340 0.040 0.000 0.228 214 L C 0.756 177.671 176.870 0.074 0.000 1.123 214 L CA -0.015 54.921 54.840 0.160 0.000 0.890 214 L CB 0.121 42.254 42.059 0.123 0.000 1.103 214 L HN 0.000 nan 8.230 nan 0.000 0.468 215 S N -0.273 115.443 115.700 0.026 0.000 2.566 215 S HA 0.314 4.808 4.470 0.040 0.000 0.324 215 S C 0.757 175.278 174.600 -0.132 0.000 1.081 215 S CA -0.586 57.509 58.200 -0.174 0.000 1.105 215 S CB 1.430 64.258 63.200 -0.620 0.000 0.981 215 S HN 0.191 nan 8.310 nan 0.000 0.464 216 L N 6.278 127.429 121.223 -0.119 0.000 2.012 216 L HA 0.019 4.383 4.340 0.040 0.000 0.210 216 L C -0.899 175.920 176.870 -0.085 0.000 1.073 216 L CA 1.751 56.542 54.840 -0.081 0.000 0.748 216 L CB -0.663 41.351 42.059 -0.075 0.000 0.891 216 L HN 0.518 nan 8.230 nan 0.000 0.431 217 P HA -0.092 nan 4.420 nan 0.000 0.225 217 P C 1.428 178.707 177.300 -0.035 0.000 1.148 217 P CA 1.118 64.169 63.100 -0.081 0.000 0.779 217 P CB 0.107 31.747 31.700 -0.099 0.000 0.780 218 S N -0.988 114.712 115.700 -0.001 0.000 2.446 218 S HA 0.006 4.500 4.470 0.040 0.000 0.225 218 S C 1.839 176.504 174.600 0.109 0.000 1.016 218 S CA 0.413 58.708 58.200 0.158 0.000 0.943 218 S CB -0.331 63.118 63.200 0.415 0.000 0.786 218 S HN 0.075 nan 8.310 nan 0.000 0.508 219 R N 2.104 122.582 120.500 -0.038 0.000 2.127 219 R HA -0.044 4.320 4.340 0.040 0.000 0.238 219 R C 2.299 178.369 176.300 -0.383 0.000 1.134 219 R CA 1.525 57.444 56.100 -0.302 0.000 0.975 219 R CB -1.319 28.873 30.300 -0.181 0.000 0.865 219 R HN 0.581 nan 8.270 nan 0.000 0.447 220 S N -0.006 115.575 115.700 -0.198 0.000 2.603 220 S HA 0.057 4.551 4.470 0.040 0.000 0.229 220 S C 1.727 176.224 174.600 -0.171 0.000 0.972 220 S CA 0.373 58.474 58.200 -0.165 0.000 0.935 220 S CB -0.172 62.980 63.200 -0.080 0.000 0.769 220 S HN 0.237 nan 8.310 nan 0.000 0.536 221 L N -0.066 121.060 121.223 -0.162 0.000 2.664 221 L HA 0.476 4.840 4.340 0.040 0.000 0.233 221 L C 0.135 176.987 176.870 -0.030 0.000 1.113 221 L CA -0.312 54.502 54.840 -0.044 0.000 0.896 221 L CB 0.041 42.138 42.059 0.063 0.000 1.163 221 L HN 0.483 nan 8.230 nan 0.000 0.497 222 F N -3.954 115.780 119.950 -0.360 0.000 2.715 222 F HA 0.511 5.062 4.527 0.040 0.000 0.318 222 F C 0.540 175.920 175.800 -0.699 0.000 1.141 222 F CA -0.972 56.755 58.000 -0.454 0.000 0.950 222 F CB 0.835 39.743 39.000 -0.154 0.000 1.374 222 F HN -0.151 nan 8.300 nan 0.000 0.477 223 H N -0.795 118.341 119.070 0.110 0.000 3.440 223 H HA 0.480 5.060 4.556 0.040 0.000 0.259 223 H C -0.267 175.108 175.328 0.078 0.000 1.120 223 H CA -0.061 55.975 56.048 -0.020 0.000 1.191 223 H CB 0.986 30.734 29.762 -0.023 0.000 1.537 223 H HN 0.469 nan 8.280 nan 0.000 0.547 224 R N 0.071 120.794 120.500 0.371 0.000 2.692 224 R HA 0.678 5.042 4.340 0.040 0.000 0.269 224 R C -1.573 174.993 176.300 0.445 0.000 1.030 224 R CA -0.614 55.681 56.100 0.324 0.000 0.882 224 R CB 2.599 32.919 30.300 0.034 0.000 1.250 224 R HN 0.137 nan 8.270 nan 0.000 0.465 225 A N 1.116 124.191 122.820 0.424 0.000 2.515 225 A HA 0.731 5.075 4.320 0.040 0.000 0.298 225 A C -1.461 176.230 177.584 0.178 0.000 1.059 225 A CA -0.607 51.577 52.037 0.246 0.000 0.698 225 A CB 1.999 21.093 19.000 0.156 0.000 1.289 225 A HN 0.270 nan 8.150 nan 0.000 0.404 226 V N 2.111 122.085 119.914 0.101 0.000 2.483 226 V HA 0.466 4.610 4.120 0.040 0.000 0.297 226 V C -1.150 174.996 176.094 0.085 0.000 1.027 226 V CA -0.258 62.041 62.300 -0.001 0.000 0.855 226 V CB 1.264 33.103 31.823 0.027 0.000 0.995 226 V HN 0.689 nan 8.190 nan 0.000 0.424 227 L N 5.287 126.531 121.223 0.035 0.000 2.295 227 L HA 0.507 4.871 4.340 0.040 0.000 0.281 227 L C 0.093 177.027 176.870 0.106 0.000 1.018 227 L CA 0.114 54.974 54.840 0.034 0.000 0.841 227 L CB 1.454 43.492 42.059 -0.035 0.000 1.218 227 L HN 0.627 nan 8.230 nan 0.000 0.424 228 Q N 2.064 121.978 119.800 0.189 0.000 2.331 228 Q HA 0.392 4.757 4.340 0.040 0.000 0.257 228 Q C 0.361 176.458 176.000 0.162 0.000 0.957 228 Q CA -0.502 55.479 55.803 0.296 0.000 0.923 228 Q CB 1.258 30.269 28.738 0.455 0.000 1.212 228 Q HN 0.612 nan 8.270 nan 0.000 0.443 229 S N 0.929 116.705 115.700 0.126 0.000 3.581 229 S HA -0.185 4.309 4.470 0.040 0.000 0.354 229 S C 0.063 174.732 174.600 0.115 0.000 1.059 229 S CA 0.651 58.912 58.200 0.102 0.000 1.060 229 S CB -1.076 62.196 63.200 0.121 0.000 0.908 229 S HN 0.972 nan 8.310 nan 0.000 0.475 230 G N -0.617 108.253 108.800 0.116 0.000 2.601 230 G HA2 0.686 4.670 3.960 0.040 0.000 0.291 230 G HA3 0.686 4.670 3.960 0.040 0.000 0.291 230 G C -0.931 174.015 174.900 0.076 0.000 1.456 230 G CA 0.197 45.438 45.100 0.234 0.000 0.804 230 G HN 0.888 nan 8.290 nan 0.000 0.499 231 T N -1.738 112.820 114.554 0.006 0.000 2.853 231 T HA 0.712 5.087 4.350 0.040 0.000 0.311 231 T C -2.411 172.134 174.700 -0.259 0.000 1.307 231 T CA -1.344 60.679 62.100 -0.129 0.000 1.019 231 T CB 2.877 71.662 68.868 -0.139 0.000 1.264 231 T HN 0.262 nan 8.240 nan 0.000 0.497 232 P HA -0.005 nan 4.420 nan 0.000 0.220 232 P C 0.349 177.480 177.300 -0.281 0.000 1.152 232 P CA 0.686 63.648 63.100 -0.230 0.000 0.812 232 P CB -0.111 31.509 31.700 -0.133 0.000 0.792 233 N N 0.584 119.143 118.700 -0.235 0.000 2.347 233 N HA 0.291 5.055 4.740 0.040 0.000 0.253 233 N C 0.794 176.111 175.510 -0.321 0.000 1.274 233 N CA 0.623 53.539 53.050 -0.223 0.000 0.941 233 N CB 0.125 38.526 38.487 -0.144 0.000 1.200 233 N HN 0.213 nan 8.380 nan 0.000 0.514 234 G N -0.644 107.994 108.800 -0.271 0.000 2.592 234 G HA2 -0.143 3.841 3.960 0.040 0.000 0.684 234 G HA3 -0.143 3.841 3.960 0.040 0.000 0.684 234 G C -2.028 172.665 174.900 -0.345 0.000 1.291 234 G CA -0.220 44.691 45.100 -0.315 0.000 0.891 234 G HN 0.509 nan 8.290 nan 0.000 0.544 235 P HA 0.017 nan 4.420 nan 0.000 0.221 235 P C 1.615 178.887 177.300 -0.047 0.000 1.150 235 P CA 2.518 65.525 63.100 -0.155 0.000 0.800 235 P CB -0.094 31.473 31.700 -0.222 0.000 0.787 236 W N -1.379 119.889 121.300 -0.054 0.000 2.901 236 W HA 0.578 5.262 4.660 0.040 0.000 0.281 236 W C 1.321 177.926 176.519 0.144 0.000 1.167 236 W CA 0.462 57.851 57.345 0.074 0.000 1.506 236 W CB -0.903 28.709 29.460 0.253 0.000 0.985 236 W HN -0.156 nan 8.180 nan 0.000 0.590 237 A N 1.801 124.323 122.820 -0.496 0.000 2.021 237 A HA 0.115 4.459 4.320 0.040 0.000 0.216 237 A C 1.244 178.662 177.584 -0.277 0.000 1.163 237 A CA 1.758 53.530 52.037 -0.442 0.000 0.676 237 A CB -0.836 17.597 19.000 -0.945 0.000 0.818 237 A HN 0.214 nan 8.150 nan 0.000 0.453 238 T N -2.812 111.593 114.554 -0.248 0.000 2.907 238 T HA 0.651 5.025 4.350 0.040 0.000 0.290 238 T C -0.517 174.098 174.700 -0.142 0.000 1.066 238 T CA -0.124 61.849 62.100 -0.212 0.000 1.012 238 T CB 1.470 70.226 68.868 -0.187 0.000 1.184 238 T HN 0.847 nan 8.240 nan 0.000 0.522 239 V N -1.363 118.476 119.914 -0.126 0.000 3.130 239 V HA 0.880 5.024 4.120 0.040 0.000 0.310 239 V C 0.255 176.304 176.094 -0.074 0.000 1.158 239 V CA -0.981 61.264 62.300 -0.092 0.000 1.029 239 V CB 1.301 33.068 31.823 -0.094 0.000 1.057 239 V HN 1.332 nan 8.190 nan 0.000 0.436 240 S N 1.501 117.166 115.700 -0.059 0.000 2.608 240 S HA 0.617 5.111 4.470 0.040 0.000 0.261 240 S C 1.397 175.975 174.600 -0.037 0.000 1.314 240 S CA 0.094 58.267 58.200 -0.044 0.000 0.992 240 S CB 1.169 64.346 63.200 -0.038 0.000 0.935 240 S HN 1.905 nan 8.310 nan 0.000 0.564 241 A N 1.641 124.445 122.820 -0.026 0.000 1.865 241 A HA 0.109 4.454 4.320 0.040 0.000 0.217 241 A C 2.288 179.859 177.584 -0.022 0.000 1.191 241 A CA 1.828 53.854 52.037 -0.019 0.000 0.623 241 A CB -1.986 17.007 19.000 -0.012 0.000 0.826 241 A HN 1.194 nan 8.150 nan 0.000 0.444 242 G N -0.382 108.404 108.800 -0.023 0.000 2.513 242 G HA2 -0.338 3.647 3.960 0.040 0.000 0.219 242 G HA3 -0.338 3.647 3.960 0.040 0.000 0.219 242 G C 1.486 176.368 174.900 -0.030 0.000 1.160 242 G CA 1.618 46.703 45.100 -0.024 0.000 0.767 242 G HN 0.600 nan 8.290 nan 0.000 0.571 243 E N 0.773 120.950 120.200 -0.038 0.000 2.208 243 E HA 0.191 4.565 4.350 0.040 0.000 0.193 243 E C 2.571 179.136 176.600 -0.059 0.000 0.988 243 E CA 1.252 57.621 56.400 -0.052 0.000 0.828 243 E CB -0.457 29.207 29.700 -0.060 0.000 0.763 243 E HN 0.303 nan 8.360 nan 0.000 0.478 244 A N 0.693 123.487 122.820 -0.043 0.000 1.897 244 A HA -0.088 4.256 4.320 0.040 0.000 0.215 244 A C 2.265 179.848 177.584 -0.001 0.000 1.181 244 A CA 1.427 53.451 52.037 -0.022 0.000 0.620 244 A CB -0.511 18.489 19.000 -0.001 0.000 0.821 244 A HN 0.241 nan 8.150 nan 0.000 0.443 245 R N -0.563 119.929 120.500 -0.013 0.000 2.096 245 R HA -0.114 4.250 4.340 0.040 0.000 0.235 245 R C 2.439 178.731 176.300 -0.014 0.000 1.127 245 R CA 1.538 57.629 56.100 -0.015 0.000 0.968 245 R CB -0.260 30.029 30.300 -0.019 0.000 0.861 245 R HN 0.501 nan 8.270 nan 0.000 0.440 246 R N 0.300 120.786 120.500 -0.023 0.000 2.062 246 R HA -0.092 4.273 4.340 0.040 0.000 0.231 246 R C 2.242 178.529 176.300 -0.022 0.000 1.136 246 R CA 1.667 57.751 56.100 -0.026 0.000 0.948 246 R CB -0.050 30.228 30.300 -0.036 0.000 0.845 246 R HN 0.263 nan 8.270 nan 0.000 0.430 247 R N -0.172 120.304 120.500 -0.040 0.000 2.075 247 R HA -0.044 4.320 4.340 0.040 0.000 0.232 247 R C 2.337 178.700 176.300 0.106 0.000 1.126 247 R CA 1.202 57.274 56.100 -0.047 0.000 0.963 247 R CB -0.348 29.794 30.300 -0.264 0.000 0.858 247 R HN 0.209 nan 8.270 nan 0.000 0.435 248 A N 1.351 124.251 122.820 0.132 0.000 1.845 248 A HA -0.213 4.131 4.320 0.040 0.000 0.215 248 A C 2.412 180.001 177.584 0.009 0.000 1.195 248 A CA 2.259 54.353 52.037 0.096 0.000 0.616 248 A CB -1.241 17.758 19.000 -0.001 0.000 0.832 248 A HN 0.509 nan 8.150 nan 0.000 0.443 249 T N -1.726 112.823 114.554 -0.008 0.000 2.759 249 T HA -0.173 4.201 4.350 0.040 0.000 0.269 249 T C 1.737 176.431 174.700 -0.010 0.000 1.042 249 T CA 1.680 63.768 62.100 -0.020 0.000 1.140 249 T CB -0.503 68.353 68.868 -0.021 0.000 0.864 249 T HN 0.285 nan 8.240 nan 0.000 0.455 250 L N 0.273 121.499 121.223 0.006 0.000 2.201 250 L HA 0.315 4.679 4.340 0.040 0.000 0.212 250 L C 2.241 179.122 176.870 0.019 0.000 1.105 250 L CA 1.262 56.107 54.840 0.008 0.000 0.775 250 L CB -0.824 41.240 42.059 0.010 0.000 0.913 250 L HN 0.380 nan 8.230 nan 0.000 0.440 251 L N -0.602 120.654 121.223 0.055 0.000 2.109 251 L HA 0.044 4.408 4.340 0.040 0.000 0.207 251 L C 2.476 179.339 176.870 -0.011 0.000 1.086 251 L CA 1.645 56.522 54.840 0.062 0.000 0.760 251 L CB -0.695 41.440 42.059 0.126 0.000 0.910 251 L HN 0.232 nan 8.230 nan 0.000 0.437 252 A N 0.030 122.832 122.820 -0.029 0.000 1.849 252 A HA -0.303 4.041 4.320 0.040 0.000 0.217 252 A C 2.512 180.073 177.584 -0.038 0.000 1.202 252 A CA 2.138 54.151 52.037 -0.040 0.000 0.629 252 A CB -0.898 18.073 19.000 -0.048 0.000 0.834 252 A HN 0.492 nan 8.150 nan 0.000 0.447 253 R N -0.589 119.889 120.500 -0.036 0.000 2.113 253 R HA -0.173 4.192 4.340 0.040 0.000 0.244 253 R C 2.094 178.351 176.300 -0.071 0.000 1.142 253 R CA 1.939 58.015 56.100 -0.040 0.000 0.953 253 R CB -0.521 29.760 30.300 -0.031 0.000 0.860 253 R HN 0.577 nan 8.270 nan 0.000 0.438 254 L N 0.528 121.683 121.223 -0.113 0.000 2.191 254 L HA -0.115 4.250 4.340 0.040 0.000 0.212 254 L C 1.808 178.495 176.870 -0.306 0.000 1.103 254 L CA 0.862 55.543 54.840 -0.264 0.000 0.769 254 L CB 0.011 41.835 42.059 -0.391 0.000 0.908 254 L HN 0.220 nan 8.230 nan 0.000 0.438 255 V N -3.933 115.901 119.914 -0.134 0.000 3.271 255 V HA 0.510 4.654 4.120 0.040 0.000 0.327 255 V C 0.914 177.010 176.094 0.004 0.000 1.389 255 V CA 0.096 62.384 62.300 -0.019 0.000 1.156 255 V CB -0.283 31.580 31.823 0.066 0.000 1.103 255 V HN 0.389 nan 8.190 nan 0.000 0.453 256 G N -0.200 108.589 108.800 -0.018 0.000 2.291 256 G HA2 -0.194 3.790 3.960 0.040 0.000 0.271 256 G HA3 -0.194 3.790 3.960 0.040 0.000 0.271 256 G C -0.104 174.796 174.900 -0.000 0.000 1.099 256 G CA 0.018 45.116 45.100 -0.003 0.000 0.919 256 G HN 0.781 nan 8.290 nan 0.000 0.496 266 D N 1.640 122.033 120.400 -0.013 0.000 2.103 266 D HA -0.139 4.525 4.640 0.040 0.000 0.190 266 D C 1.438 177.731 176.300 -0.012 0.000 0.997 266 D CA 2.321 56.309 54.000 -0.019 0.000 0.833 266 D CB -0.233 40.557 40.800 -0.016 0.000 0.961 266 D HN 0.675 nan 8.370 nan 0.000 0.447 267 T N 0.984 115.537 114.554 -0.002 0.000 2.665 267 T HA -0.186 4.188 4.350 0.040 0.000 0.268 267 T C 1.853 176.559 174.700 0.010 0.000 1.035 267 T CA 1.539 63.644 62.100 0.008 0.000 1.151 267 T CB -0.328 68.546 68.868 0.010 0.000 0.862 267 T HN 0.306 nan 8.240 nan 0.000 0.438 268 E N 0.413 120.616 120.200 0.005 0.000 2.072 268 E HA -0.021 4.354 4.350 0.040 0.000 0.191 268 E C 2.202 178.805 176.600 0.005 0.000 0.985 268 E CA 0.681 57.085 56.400 0.006 0.000 0.801 268 E CB -0.242 29.460 29.700 0.003 0.000 0.750 268 E HN 0.347 nan 8.360 nan 0.000 0.452 269 L N 0.668 121.887 121.223 -0.007 0.000 2.027 269 L HA -0.179 4.185 4.340 0.040 0.000 0.206 269 L C 2.165 179.025 176.870 -0.017 0.000 1.074 269 L CA 1.102 55.931 54.840 -0.018 0.000 0.745 269 L CB -0.046 41.991 42.059 -0.037 0.000 0.898 269 L HN 0.129 nan 8.230 nan 0.000 0.433 270 I N -0.394 120.168 120.570 -0.014 0.000 2.142 270 I HA -0.291 3.903 4.170 0.040 0.000 0.240 270 I C 2.749 178.920 176.117 0.090 0.000 1.078 270 I CA 1.169 62.481 61.300 0.021 0.000 1.343 270 I CB -0.638 37.379 38.000 0.027 0.000 1.046 270 I HN 0.308 nan 8.210 nan 0.000 0.405 271 A N -0.066 122.791 122.820 0.062 0.000 1.896 271 A HA -0.385 3.959 4.320 0.040 0.000 0.220 271 A C 2.553 180.173 177.584 0.060 0.000 1.206 271 A CA 2.441 54.513 52.037 0.058 0.000 0.647 271 A CB -1.659 17.363 19.000 0.036 0.000 0.828 271 A HN 0.651 nan 8.150 nan 0.000 0.455 272 c N -0.780 117.847 118.600 0.045 0.000 2.413 272 c HA -0.078 4.516 4.570 0.040 0.000 0.276 272 c C 2.653 176.781 174.090 0.063 0.000 1.248 272 c CA 1.260 57.613 56.329 0.041 0.000 1.742 272 c CB -1.658 40.866 42.510 0.024 0.000 2.017 272 c HN 0.598 nan 8.230 nan 0.000 0.481 273 L N 0.304 121.579 121.223 0.087 0.000 2.083 273 L HA -0.127 4.237 4.340 0.040 0.000 0.209 273 L C 2.995 179.992 176.870 0.211 0.000 1.083 273 L CA 1.576 56.505 54.840 0.150 0.000 0.752 273 L CB -0.613 41.528 42.059 0.137 0.000 0.899 273 L HN 0.360 nan 8.230 nan 0.000 0.433 274 R N -0.622 119.999 120.500 0.202 0.000 2.152 274 R HA -0.145 4.219 4.340 0.040 0.000 0.232 274 R C 2.169 178.492 176.300 0.038 0.000 1.117 274 R CA 1.761 57.913 56.100 0.086 0.000 0.981 274 R CB -0.637 29.700 30.300 0.062 0.000 0.870 274 R HN 0.494 nan 8.270 nan 0.000 0.451 275 T N -1.150 113.433 114.554 0.048 0.000 3.118 275 T HA 0.044 4.418 4.350 0.040 0.000 0.260 275 T C 0.846 175.563 174.700 0.029 0.000 1.139 275 T CA 0.053 62.170 62.100 0.029 0.000 1.085 275 T CB 0.124 69.009 68.868 0.028 0.000 0.934 275 T HN -0.096 nan 8.240 nan 0.000 0.518 276 R N 2.433 122.959 120.500 0.043 0.000 2.357 276 R HA 0.388 4.752 4.340 0.040 0.000 0.296 276 R C -2.795 173.522 176.300 0.029 0.000 1.052 276 R CA -2.597 53.530 56.100 0.045 0.000 0.988 276 R CB 0.211 30.550 30.300 0.065 0.000 1.025 276 R HN 0.228 nan 8.270 nan 0.000 0.469 277 P HA -0.052 nan 4.420 nan 0.000 0.261 277 P C 0.509 177.790 177.300 -0.030 0.000 1.183 277 P CA 0.360 63.447 63.100 -0.022 0.000 0.761 277 P CB 0.549 32.245 31.700 -0.008 0.000 0.785 278 A N 4.010 126.750 122.820 -0.133 0.000 1.935 278 A HA -0.352 3.992 4.320 0.040 0.000 0.224 278 A C 2.142 179.679 177.584 -0.077 0.000 1.324 278 A CA 2.515 54.431 52.037 -0.202 0.000 0.686 278 A CB -1.513 16.826 19.000 -1.101 0.000 0.837 278 A HN 0.557 nan 8.150 nan 0.000 0.481 279 Q N -0.591 119.133 119.800 -0.126 0.000 2.291 279 Q HA -0.133 4.231 4.340 0.040 0.000 0.205 279 Q C 1.232 177.331 176.000 0.165 0.000 0.970 279 Q CA 1.859 57.764 55.803 0.169 0.000 0.876 279 Q CB -0.310 28.554 28.738 0.210 0.000 0.935 279 Q HN 0.699 nan 8.270 nan 0.000 0.455 280 D N -0.771 119.697 120.400 0.114 0.000 2.117 280 D HA -0.124 4.541 4.640 0.040 0.000 0.198 280 D C 1.479 177.875 176.300 0.160 0.000 0.982 280 D CA 0.666 54.745 54.000 0.131 0.000 0.828 280 D CB -0.059 40.810 40.800 0.116 0.000 0.967 280 D HN 0.212 nan 8.370 nan 0.000 0.464 281 L N 0.503 121.801 121.223 0.124 0.000 1.989 281 L HA -0.145 4.220 4.340 0.040 0.000 0.211 281 L C 2.552 179.482 176.870 0.100 0.000 1.071 281 L CA 1.075 55.949 54.840 0.056 0.000 0.749 281 L CB -1.053 40.935 42.059 -0.118 0.000 0.890 281 L HN -0.034 nan 8.230 nan 0.000 0.431 282 V N -0.299 119.741 119.914 0.211 0.000 2.392 282 V HA -0.299 3.845 4.120 0.040 0.000 0.249 282 V C 2.194 178.432 176.094 0.240 0.000 1.059 282 V CA 1.654 64.137 62.300 0.305 0.000 1.051 282 V CB -0.662 31.471 31.823 0.517 0.000 0.658 282 V HN 0.425 nan 8.190 nan 0.000 0.455 283 D N -0.841 119.647 120.400 0.146 0.000 2.190 283 D HA -0.159 4.505 4.640 0.040 0.000 0.200 283 D C 1.789 177.942 176.300 -0.244 0.000 0.992 283 D CA 1.400 55.383 54.000 -0.027 0.000 0.854 283 D CB -0.173 40.541 40.800 -0.143 0.000 0.936 283 D HN 0.537 nan 8.370 nan 0.000 0.462 284 H N -0.688 118.405 119.070 0.038 0.000 2.672 284 H HA 0.155 4.735 4.556 0.040 0.000 0.277 284 H C 1.447 176.746 175.328 -0.047 0.000 1.074 284 H CA -0.104 55.916 56.048 -0.047 0.000 1.173 284 H CB 0.687 30.511 29.762 0.103 0.000 1.558 284 H HN 0.263 nan 8.280 nan 0.000 0.539 285 E N 0.520 120.758 120.200 0.062 0.000 2.114 285 E HA -0.209 4.165 4.350 0.040 0.000 0.199 285 E C 0.778 177.262 176.600 -0.192 0.000 1.008 285 E CA 1.442 57.846 56.400 0.007 0.000 0.810 285 E CB 0.069 29.690 29.700 -0.132 0.000 0.739 285 E HN 0.424 nan 8.360 nan 0.000 0.456 286 W N -0.925 120.270 121.300 -0.175 0.000 3.256 286 W HA 0.103 4.788 4.660 0.040 0.000 0.269 286 W C 0.963 177.452 176.519 -0.050 0.000 1.310 286 W CA 0.129 57.358 57.345 -0.194 0.000 1.673 286 W CB 0.261 29.552 29.460 -0.281 0.000 1.115 286 W HN 0.209 nan 8.180 nan 0.000 0.686 287 H N -0.744 118.451 119.070 0.209 0.000 2.520 287 H HA 0.066 4.646 4.556 0.040 0.000 0.284 287 H C 1.727 177.101 175.328 0.077 0.000 1.037 287 H CA 0.225 56.367 56.048 0.156 0.000 1.168 287 H CB 0.334 30.221 29.762 0.210 0.000 1.497 287 H HN 0.096 nan 8.280 nan 0.000 0.547 288 V N -1.828 118.149 119.914 0.105 0.000 3.578 288 V HA 0.213 4.358 4.120 0.040 0.000 0.290 288 V C 0.465 176.518 176.094 -0.068 0.000 1.376 288 V CA -0.204 62.095 62.300 -0.002 0.000 1.083 288 V CB -0.288 31.496 31.823 -0.066 0.000 0.911 288 V HN 0.123 nan 8.190 nan 0.000 0.433 289 L N 2.611 123.806 121.223 -0.047 0.000 2.416 289 L HA 0.272 4.636 4.340 0.040 0.000 0.272 289 L C -0.324 176.527 176.870 -0.031 0.000 1.161 289 L CA -1.122 53.680 54.840 -0.064 0.000 0.845 289 L CB 0.638 42.673 42.059 -0.040 0.000 1.119 289 L HN 0.115 nan 8.230 nan 0.000 0.464 290 P HA -0.125 nan 4.420 nan 0.000 0.218 290 P C -0.166 177.125 177.300 -0.015 0.000 1.149 290 P CA 1.228 64.311 63.100 -0.028 0.000 0.817 290 P CB 0.380 32.059 31.700 -0.035 0.000 0.785 291 Q N -1.211 118.580 119.800 -0.015 0.000 2.456 291 Q HA 0.341 4.705 4.340 0.040 0.000 0.283 291 Q C -0.516 175.482 176.000 -0.004 0.000 1.084 291 Q CA -0.779 55.019 55.803 -0.008 0.000 0.801 291 Q CB 1.541 30.273 28.738 -0.010 0.000 1.434 291 Q HN -0.027 nan 8.270 nan 0.000 0.419 292 E N 0.847 121.048 120.200 0.001 0.000 2.442 292 E HA 0.287 4.661 4.350 0.040 0.000 0.262 292 E C -0.959 175.633 176.600 -0.012 0.000 1.004 292 E CA 0.315 56.716 56.400 0.001 0.000 0.928 292 E CB 0.379 30.082 29.700 0.005 0.000 0.937 292 E HN 0.629 nan 8.360 nan 0.000 0.446 293 S N 3.002 118.686 115.700 -0.025 0.000 2.611 293 S HA 0.519 5.013 4.470 0.040 0.000 0.270 293 S C -0.624 173.926 174.600 -0.085 0.000 1.131 293 S CA -0.985 57.186 58.200 -0.048 0.000 0.826 293 S CB 0.367 63.529 63.200 -0.063 0.000 1.095 293 S HN 0.586 nan 8.310 nan 0.000 0.461 294 I N -2.905 117.605 120.570 -0.101 0.000 3.108 294 I HA 0.836 5.030 4.170 0.040 0.000 0.312 294 I C -0.139 175.831 176.117 -0.245 0.000 1.095 294 I CA -1.281 59.902 61.300 -0.194 0.000 1.000 294 I CB 1.083 39.046 38.000 -0.061 0.000 1.229 294 I HN 0.787 nan 8.210 nan 0.000 0.454 295 F N 1.004 120.491 119.950 -0.772 0.000 3.090 295 F HA -0.216 4.334 4.527 0.040 0.000 0.282 295 F C 0.059 175.252 175.800 -1.011 0.000 0.923 295 F CA 0.969 58.455 58.000 -0.856 0.000 0.977 295 F CB -0.734 38.050 39.000 -0.360 0.000 0.954 295 F HN 0.680 nan 8.300 nan 0.000 0.695 296 R N 0.276 120.083 120.500 -1.155 0.000 2.651 296 R HA 0.747 5.111 4.340 0.040 0.000 0.278 296 R C -1.577 174.109 176.300 -1.023 0.000 1.010 296 R CA -0.437 55.162 56.100 -0.836 0.000 0.896 296 R CB 1.223 31.340 30.300 -0.304 0.000 1.211 296 R HN -0.012 nan 8.270 nan 0.000 0.456 297 F N 0.626 120.563 119.950 -0.021 0.000 2.581 297 F HA 0.329 4.880 4.527 0.040 0.000 0.311 297 F C 0.990 176.629 175.800 -0.267 0.000 1.113 297 F CA -0.897 56.999 58.000 -0.174 0.000 0.935 297 F CB 2.327 41.344 39.000 0.029 0.000 1.232 297 F HN 0.435 nan 8.300 nan 0.000 0.445 298 S N 0.732 116.218 115.700 -0.357 0.000 2.356 298 S HA -0.026 4.468 4.470 0.040 0.000 0.223 298 S C -0.002 174.103 174.600 -0.825 0.000 1.032 298 S CA 1.214 59.023 58.200 -0.650 0.000 1.005 298 S CB -0.207 62.490 63.200 -0.838 0.000 0.867 298 S HN 0.371 nan 8.310 nan 0.000 0.449 299 F N 1.609 121.530 119.950 -0.049 0.000 2.382 299 F HA 0.571 5.122 4.527 0.041 0.000 0.361 299 F C -0.084 175.694 175.800 -0.037 0.000 1.109 299 F CA -1.003 57.003 58.000 0.010 0.000 1.031 299 F CB 1.353 40.394 39.000 0.069 0.000 1.234 299 F HN -0.102 nan 8.300 nan 0.000 0.445 300 V N 0.748 120.603 119.914 -0.099 0.000 3.160 300 V HA 0.765 4.909 4.120 0.040 0.000 0.310 300 V C -2.882 172.820 176.094 -0.654 0.000 1.181 300 V CA -3.315 58.613 62.300 -0.621 0.000 1.047 300 V CB 2.017 33.661 31.823 -0.298 0.000 1.068 300 V HN 0.266 nan 8.190 nan 0.000 0.441 301 P HA 0.140 nan 4.420 nan 0.000 0.266 301 P C -0.691 176.456 177.300 -0.255 0.000 1.186 301 P CA 0.400 63.199 63.100 -0.502 0.000 0.767 301 P CB 0.535 31.865 31.700 -0.617 0.000 0.820 302 V N 4.254 124.097 119.914 -0.118 0.000 2.628 302 V HA 0.247 4.392 4.120 0.040 0.000 0.306 302 V C -0.464 175.602 176.094 -0.047 0.000 1.045 302 V CA -0.951 61.307 62.300 -0.070 0.000 0.905 302 V CB 2.149 33.961 31.823 -0.019 0.000 0.997 302 V HN 0.147 nan 8.190 nan 0.000 0.436 303 V N 7.297 127.185 119.914 -0.043 0.000 2.381 303 V HA 0.216 4.360 4.120 0.040 0.000 0.257 303 V C 0.698 176.793 176.094 0.000 0.000 1.057 303 V CA 0.397 62.686 62.300 -0.018 0.000 1.013 303 V CB 0.365 32.171 31.823 -0.028 0.000 1.069 303 V HN 1.047 nan 8.190 nan 0.000 0.484 304 D N 2.831 123.246 120.400 0.025 0.000 2.433 304 D HA 0.154 4.819 4.640 0.040 0.000 0.211 304 D C 1.475 177.795 176.300 0.033 0.000 1.114 304 D CA 0.567 54.586 54.000 0.031 0.000 0.837 304 D CB 0.637 41.467 40.800 0.050 0.000 0.984 304 D HN 0.696 nan 8.370 nan 0.000 0.505 305 G N 0.895 109.715 108.800 0.033 0.000 2.189 305 G HA2 -0.360 3.624 3.960 0.040 0.000 0.267 305 G HA3 -0.360 3.624 3.960 0.040 0.000 0.267 305 G C 0.536 175.456 174.900 0.033 0.000 0.975 305 G CA 0.943 46.057 45.100 0.025 0.000 0.644 305 G HN 0.535 nan 8.290 nan 0.000 0.537 306 D N -1.297 119.138 120.400 0.059 0.000 3.013 306 D HA 0.235 4.899 4.640 0.040 0.000 0.256 306 D C 1.872 178.223 176.300 0.086 0.000 1.573 306 D CA 0.410 54.450 54.000 0.066 0.000 1.197 306 D CB -0.538 40.309 40.800 0.079 0.000 1.041 306 D HN 0.091 nan 8.370 nan 0.000 0.304 307 F N 0.978 120.930 119.950 0.004 0.000 2.091 307 F HA 0.080 4.631 4.527 0.040 0.000 0.299 307 F C 0.610 176.405 175.800 -0.009 0.000 1.103 307 F CA 1.278 59.279 58.000 0.002 0.000 1.228 307 F CB 0.098 39.097 39.000 -0.002 0.000 0.984 307 F HN -0.013 nan 8.300 nan 0.000 0.477 308 L N 0.647 122.028 121.223 0.263 0.000 2.295 308 L HA 0.198 4.562 4.340 0.040 0.000 0.281 308 L C 1.382 178.292 176.870 0.066 0.000 1.018 308 L CA -0.145 54.782 54.840 0.146 0.000 0.841 308 L CB 1.358 43.492 42.059 0.126 0.000 1.218 308 L HN 0.069 nan 8.230 nan 0.000 0.424 309 S N 0.645 116.364 115.700 0.032 0.000 2.423 309 S HA -0.051 4.443 4.470 0.040 0.000 0.231 309 S C 0.529 175.135 174.600 0.009 0.000 1.014 309 S CA 0.778 58.986 58.200 0.013 0.000 0.965 309 S CB 0.163 63.361 63.200 -0.004 0.000 0.785 309 S HN 0.709 nan 8.310 nan 0.000 0.495 310 D N -0.084 120.322 120.400 0.011 0.000 2.812 310 D HA 0.325 4.989 4.640 0.040 0.000 0.318 310 D C -0.827 175.473 176.300 -0.000 0.000 1.234 310 D CA 0.093 54.094 54.000 0.003 0.000 0.989 310 D CB 1.479 42.279 40.800 -0.000 0.000 1.442 310 D HN 0.277 nan 8.370 nan 0.000 0.537 311 T N -1.040 113.508 114.554 -0.010 0.000 2.900 311 T HA 0.252 4.627 4.350 0.040 0.000 0.307 311 T C -1.834 172.856 174.700 -0.017 0.000 1.065 311 T CA -0.796 61.290 62.100 -0.023 0.000 1.105 311 T CB 1.069 69.918 68.868 -0.032 0.000 0.979 311 T HN 0.094 nan 8.240 nan 0.000 0.544 312 P HA -0.122 nan 4.420 nan 0.000 0.216 312 P C 1.477 178.766 177.300 -0.018 0.000 1.150 312 P CA 1.252 64.334 63.100 -0.029 0.000 0.843 312 P CB 0.072 31.725 31.700 -0.079 0.000 0.787 313 E N 0.088 120.268 120.200 -0.033 0.000 2.038 313 E HA -0.223 4.151 4.350 0.040 0.000 0.195 313 E C 1.965 178.569 176.600 0.007 0.000 1.000 313 E CA 1.569 57.958 56.400 -0.018 0.000 0.803 313 E CB -0.829 28.854 29.700 -0.028 0.000 0.750 313 E HN 0.069 nan 8.360 nan 0.000 0.448 314 A N 0.926 123.747 122.820 0.003 0.000 1.908 314 A HA -0.157 4.188 4.320 0.040 0.000 0.218 314 A C 2.263 179.864 177.584 0.027 0.000 1.181 314 A CA 1.540 53.583 52.037 0.010 0.000 0.627 314 A CB -0.704 18.297 19.000 0.001 0.000 0.818 314 A HN 0.376 nan 8.150 nan 0.000 0.445 315 L N -0.288 120.959 121.223 0.040 0.000 2.217 315 L HA -0.066 4.298 4.340 0.040 0.000 0.211 315 L C 2.478 179.443 176.870 0.158 0.000 1.107 315 L CA 1.197 56.081 54.840 0.072 0.000 0.783 315 L CB -0.467 41.636 42.059 0.074 0.000 0.919 315 L HN 0.677 nan 8.230 nan 0.000 0.442 316 I N -3.446 117.217 120.570 0.155 0.000 2.716 316 I HA -0.041 4.153 4.170 0.040 0.000 0.259 316 I C 1.826 178.072 176.117 0.215 0.000 1.172 316 I CA 0.885 62.331 61.300 0.243 0.000 1.478 316 I CB -0.362 37.693 38.000 0.092 0.000 1.104 316 I HN 0.117 nan 8.210 nan 0.000 0.439 317 N N 1.557 120.323 118.700 0.110 0.000 2.381 317 N HA -0.114 4.650 4.740 0.040 0.000 0.182 317 N C 1.797 177.340 175.510 0.055 0.000 1.025 317 N CA 2.077 55.173 53.050 0.077 0.000 0.888 317 N CB -0.241 38.271 38.487 0.042 0.000 0.965 317 N HN 0.714 nan 8.380 nan 0.000 0.438 318 T N -4.326 110.247 114.554 0.031 0.000 2.958 318 T HA 0.279 4.653 4.350 0.040 0.000 0.256 318 T C 1.046 175.667 174.700 -0.130 0.000 0.983 318 T CA -0.096 61.984 62.100 -0.033 0.000 0.924 318 T CB -0.031 68.819 68.868 -0.032 0.000 1.136 318 T HN 0.041 nan 8.240 nan 0.000 0.506 319 G N 1.143 109.823 108.800 -0.201 0.000 2.732 319 G HA2 0.374 4.358 3.960 0.040 0.000 0.244 319 G HA3 0.374 4.358 3.960 0.040 0.000 0.244 319 G C -0.970 173.406 174.900 -0.873 0.000 1.226 319 G CA -0.199 44.539 45.100 -0.602 0.000 0.860 319 G HN 0.413 nan 8.290 nan 0.000 0.583 320 D N -0.655 119.213 120.400 -0.887 0.000 2.440 320 D HA 0.408 5.073 4.640 0.040 0.000 0.239 320 D C -0.480 175.491 176.300 -0.549 0.000 1.084 320 D CA -0.710 52.940 54.000 -0.584 0.000 0.843 320 D CB 0.568 41.206 40.800 -0.271 0.000 1.097 320 D HN 0.088 nan 8.370 nan 0.000 0.531 321 F N 2.235 122.189 119.950 0.006 0.000 2.837 321 F HA 0.205 4.756 4.527 0.041 0.000 0.298 321 F C 1.984 177.791 175.800 0.012 0.000 1.161 321 F CA -0.461 57.546 58.000 0.013 0.000 1.353 321 F CB 0.276 39.292 39.000 0.027 0.000 0.951 321 F HN 0.342 nan 8.300 nan 0.000 0.508 322 Q N 0.214 120.071 119.800 0.094 0.000 2.077 322 Q HA -0.162 4.203 4.340 0.040 0.000 0.206 322 Q C 0.196 176.237 176.000 0.070 0.000 0.989 322 Q CA 1.364 57.206 55.803 0.065 0.000 0.853 322 Q CB -0.108 28.642 28.738 0.019 0.000 0.907 322 Q HN 0.368 nan 8.270 nan 0.000 0.418 323 D N 0.337 120.774 120.400 0.062 0.000 3.163 323 D HA 0.267 4.932 4.640 0.040 0.000 0.284 323 D C -0.816 175.523 176.300 0.065 0.000 1.368 323 D CA -0.068 53.961 54.000 0.048 0.000 0.895 323 D CB 0.016 40.829 40.800 0.021 0.000 1.061 323 D HN -0.016 nan 8.370 nan 0.000 0.496 324 L N 1.089 122.373 121.223 0.101 0.000 2.409 324 L HA 0.356 4.720 4.340 0.040 0.000 0.272 324 L C -1.145 175.803 176.870 0.130 0.000 0.980 324 L CA -0.540 54.373 54.840 0.121 0.000 0.826 324 L CB 2.082 44.239 42.059 0.165 0.000 1.268 324 L HN -0.200 nan 8.230 nan 0.000 0.407 325 Q N 3.252 123.142 119.800 0.150 0.000 2.293 325 Q HA 0.778 5.142 4.340 0.040 0.000 0.261 325 Q C -1.273 174.985 176.000 0.429 0.000 0.960 325 Q CA -0.420 55.530 55.803 0.245 0.000 0.882 325 Q CB 2.492 31.309 28.738 0.131 0.000 1.275 325 Q HN 0.469 nan 8.270 nan 0.000 0.445 326 V N 2.762 122.902 119.914 0.376 0.000 2.638 326 V HA 0.468 4.612 4.120 0.040 0.000 0.306 326 V C -1.445 174.600 176.094 -0.082 0.000 1.052 326 V CA -0.870 61.541 62.300 0.185 0.000 0.885 326 V CB 1.999 33.840 31.823 0.029 0.000 0.999 326 V HN 0.625 nan 8.190 nan 0.000 0.424 327 L N 7.252 128.186 121.223 -0.481 0.000 2.305 327 L HA 0.872 5.236 4.340 0.040 0.000 0.284 327 L C -0.532 176.172 176.870 -0.277 0.000 1.013 327 L CA -0.120 54.352 54.840 -0.614 0.000 0.819 327 L CB 1.615 42.837 42.059 -1.394 0.000 1.227 327 L HN 0.566 nan 8.230 nan 0.000 0.417 328 V N 2.133 121.939 119.914 -0.180 0.000 2.823 328 V HA 1.112 5.257 4.120 0.040 0.000 0.312 328 V C -0.029 175.773 176.094 -0.486 0.000 1.072 328 V CA 0.099 62.272 62.300 -0.211 0.000 0.937 328 V CB 1.039 32.728 31.823 -0.224 0.000 1.013 328 V HN 1.000 nan 8.190 nan 0.000 0.430 329 G N 1.172 109.526 108.800 -0.744 0.000 2.600 329 G HA2 0.804 4.788 3.960 0.040 0.000 0.293 329 G HA3 0.804 4.788 3.960 0.040 0.000 0.293 329 G C -1.178 173.400 174.900 -0.536 0.000 1.408 329 G CA -0.028 44.252 45.100 -1.368 0.000 0.782 329 G HN 1.929 nan 8.290 nan 0.000 0.482 330 V N -2.236 117.526 119.914 -0.254 0.000 3.141 330 V HA 0.922 5.066 4.120 0.040 0.000 0.312 330 V C 0.392 176.674 176.094 0.314 0.000 1.157 330 V CA -0.506 61.838 62.300 0.073 0.000 1.041 330 V CB 1.122 32.958 31.823 0.021 0.000 1.071 330 V HN 1.635 nan 8.190 nan 0.000 0.441 331 V N -0.749 119.356 119.914 0.317 0.000 3.234 331 V HA 0.559 4.703 4.120 0.040 0.000 0.317 331 V C 1.354 177.623 176.094 0.292 0.000 1.081 331 V CA -0.183 62.355 62.300 0.396 0.000 1.037 331 V CB 1.173 33.217 31.823 0.368 0.000 1.148 331 V HN 1.038 nan 8.190 nan 0.000 0.453 332 K N -0.570 120.003 120.400 0.287 0.000 2.283 332 K HA -0.031 4.313 4.320 0.040 0.000 0.202 332 K C 0.171 176.875 176.600 0.174 0.000 1.048 332 K CA 1.559 57.969 56.287 0.205 0.000 0.948 332 K CB 0.104 32.705 32.500 0.169 0.000 0.742 332 K HN 0.880 nan 8.250 nan 0.000 0.458 333 D N 0.787 121.289 120.400 0.171 0.000 2.879 333 D HA 0.023 4.687 4.640 0.040 0.000 0.351 333 D C 0.027 176.403 176.300 0.128 0.000 1.239 333 D CA -0.053 54.030 54.000 0.138 0.000 0.771 333 D CB 1.151 42.011 40.800 0.100 0.000 1.176 333 D HN 0.097 nan 8.370 nan 0.000 0.496 334 E N 0.275 120.574 120.200 0.165 0.000 2.219 334 E HA -0.144 4.231 4.350 0.040 0.000 0.198 334 E C 1.814 178.570 176.600 0.260 0.000 0.998 334 E CA 0.819 57.351 56.400 0.221 0.000 0.818 334 E CB 0.189 30.003 29.700 0.191 0.000 0.741 334 E HN 0.405 nan 8.360 nan 0.000 0.477 335 G N 0.700 109.611 108.800 0.185 0.000 2.986 335 G HA2 -0.094 3.891 3.960 0.040 0.000 0.213 335 G HA3 -0.094 3.891 3.960 0.040 0.000 0.213 335 G C 1.622 176.618 174.900 0.161 0.000 1.156 335 G CA 0.584 45.807 45.100 0.205 0.000 0.763 335 G HN 0.336 nan 8.290 nan 0.000 0.547 336 S N -0.169 115.582 115.700 0.085 0.000 2.368 336 S HA -0.166 4.329 4.470 0.040 0.000 0.224 336 S C 2.078 176.640 174.600 -0.064 0.000 1.029 336 S CA 1.048 59.279 58.200 0.050 0.000 0.988 336 S CB -0.672 62.476 63.200 -0.088 0.000 0.838 336 S HN 0.386 nan 8.310 nan 0.000 0.462 337 Y N 1.174 121.251 120.300 -0.372 0.000 2.128 337 Y HA -0.043 4.531 4.550 0.040 0.000 0.284 337 Y C 1.824 177.558 175.900 -0.278 0.000 1.154 337 Y CA 1.827 59.565 58.100 -0.603 0.000 1.149 337 Y CB -0.398 37.428 38.460 -1.057 0.000 0.976 337 Y HN 0.325 nan 8.280 nan 0.000 0.505 338 F N -0.838 119.224 119.950 0.188 0.000 2.780 338 F HA -0.074 4.477 4.527 0.040 0.000 0.299 338 F C 1.816 177.715 175.800 0.166 0.000 1.146 338 F CA -0.050 58.063 58.000 0.190 0.000 1.428 338 F CB 0.005 39.086 39.000 0.135 0.000 1.115 338 F HN 0.041 nan 8.300 nan 0.000 0.583 339 L N -0.184 121.173 121.223 0.223 0.000 2.042 339 L HA -0.214 4.150 4.340 0.040 0.000 0.210 339 L C 2.547 179.518 176.870 0.169 0.000 1.076 339 L CA 1.287 56.115 54.840 -0.020 0.000 0.749 339 L CB -0.881 40.934 42.059 -0.406 0.000 0.893 339 L HN 0.157 nan 8.230 nan 0.000 0.432 340 V N -4.352 115.760 119.914 0.330 0.000 3.078 340 V HA -0.216 3.928 4.120 0.040 0.000 0.265 340 V C 1.464 177.682 176.094 0.206 0.000 1.122 340 V CA 1.086 63.595 62.300 0.348 0.000 1.141 340 V CB -1.130 30.929 31.823 0.393 0.000 0.735 340 V HN 0.326 nan 8.190 nan 0.000 0.498 341 Y N 1.767 122.184 120.300 0.196 0.000 2.532 341 Y HA 0.623 5.196 4.550 0.040 0.000 0.283 341 Y C 1.693 177.627 175.900 0.058 0.000 1.181 341 Y CA 0.213 58.399 58.100 0.143 0.000 1.256 341 Y CB 0.491 39.103 38.460 0.253 0.000 1.112 341 Y HN 0.450 nan 8.280 nan 0.000 0.521 342 G N -0.899 108.005 108.800 0.173 0.000 3.216 342 G HA2 -0.044 3.941 3.960 0.040 0.000 0.221 342 G HA3 -0.044 3.941 3.960 0.040 0.000 0.221 342 G C -1.026 173.932 174.900 0.097 0.000 0.949 342 G CA -0.547 44.613 45.100 0.100 0.000 0.952 342 G HN -0.034 nan 8.290 nan 0.000 0.657 343 V N 1.953 121.948 119.914 0.135 0.000 2.333 343 V HA 0.417 4.561 4.120 0.040 0.000 0.274 343 V C -1.914 174.350 176.094 0.284 0.000 1.028 343 V CA -1.873 60.525 62.300 0.162 0.000 0.851 343 V CB 1.400 33.255 31.823 0.052 0.000 1.000 343 V HN 0.075 nan 8.190 nan 0.000 0.456 344 P HA 0.206 nan 4.420 nan 0.000 0.262 344 P C 1.031 178.433 177.300 0.170 0.000 1.182 344 P CA 1.411 64.601 63.100 0.151 0.000 0.761 344 P CB 0.564 32.318 31.700 0.091 0.000 0.795 345 G N 1.433 110.274 108.800 0.068 0.000 2.218 345 G HA2 -0.203 3.782 3.960 0.040 0.000 0.216 345 G HA3 -0.203 3.782 3.960 0.040 0.000 0.216 345 G C -0.217 174.496 174.900 -0.312 0.000 0.994 345 G CA -0.640 44.378 45.100 -0.137 0.000 0.637 345 G HN 0.396 nan 8.290 nan 0.000 0.505 346 F N 1.760 121.716 119.950 0.010 0.000 2.436 346 F HA 0.766 5.317 4.527 0.040 0.000 0.340 346 F C 0.563 176.446 175.800 0.138 0.000 1.113 346 F CA -0.121 57.904 58.000 0.041 0.000 1.022 346 F CB 2.266 41.334 39.000 0.114 0.000 1.128 346 F HN 0.225 nan 8.300 nan 0.000 0.466 347 S N 2.292 118.191 115.700 0.332 0.000 2.537 347 S HA 0.301 4.795 4.470 0.040 0.000 0.270 347 S C 0.243 175.104 174.600 0.435 0.000 1.142 347 S CA -0.903 57.499 58.200 0.338 0.000 0.870 347 S CB 1.442 64.750 63.200 0.180 0.000 1.112 347 S HN 0.750 nan 8.310 nan 0.000 0.466 348 K N 1.635 122.208 120.400 0.289 0.000 2.365 348 K HA 0.033 4.377 4.320 0.040 0.000 0.199 348 K C 0.307 176.928 176.600 0.035 0.000 1.045 348 K CA 1.214 57.584 56.287 0.138 0.000 0.962 348 K CB -0.152 32.187 32.500 -0.267 0.000 0.759 348 K HN 0.479 nan 8.250 nan 0.000 0.469 349 D N 1.325 121.732 120.400 0.011 0.000 2.197 349 D HA -0.064 4.600 4.640 0.040 0.000 0.212 349 D C 0.664 176.981 176.300 0.028 0.000 0.963 349 D CA 0.876 54.853 54.000 -0.038 0.000 0.864 349 D CB -0.185 40.578 40.800 -0.062 0.000 1.009 349 D HN 0.444 nan 8.370 nan 0.000 0.479 350 N N 0.255 118.988 118.700 0.056 0.000 2.514 350 N HA 0.055 4.819 4.740 0.040 0.000 0.299 350 N C 0.461 176.019 175.510 0.080 0.000 1.292 350 N CA -0.303 52.767 53.050 0.032 0.000 0.963 350 N CB 0.341 38.812 38.487 -0.027 0.000 1.124 350 N HN -0.208 nan 8.380 nan 0.000 0.580 351 E N -1.378 118.801 120.200 -0.034 0.000 2.474 351 E HA 0.099 4.474 4.350 0.040 0.000 0.195 351 E C -0.619 175.649 176.600 -0.553 0.000 1.039 351 E CA -0.168 56.156 56.400 -0.127 0.000 0.881 351 E CB -0.117 29.549 29.700 -0.056 0.000 0.970 351 E HN 0.578 nan 8.360 nan 0.000 0.486 352 S N 0.528 115.927 115.700 -0.502 0.000 3.559 352 S HA -0.208 4.286 4.470 0.040 0.000 0.369 352 S C 0.240 174.413 174.600 -0.711 0.000 0.987 352 S CA 0.225 57.991 58.200 -0.724 0.000 1.187 352 S CB -1.821 60.725 63.200 -1.090 0.000 0.914 352 S HN 0.336 nan 8.310 nan 0.000 0.480 353 L N 1.697 122.659 121.223 -0.435 0.000 2.515 353 L HA 0.318 4.683 4.340 0.040 0.000 0.281 353 L C 0.910 177.597 176.870 -0.304 0.000 1.131 353 L CA -0.160 54.489 54.840 -0.319 0.000 0.905 353 L CB -0.309 41.629 42.059 -0.203 0.000 1.246 353 L HN 0.505 nan 8.230 nan 0.000 0.463 354 I N 0.232 120.602 120.570 -0.334 0.000 2.797 354 I HA 0.557 4.751 4.170 0.040 0.000 0.310 354 I C 0.784 176.832 176.117 -0.116 0.000 0.990 354 I CA -0.457 60.692 61.300 -0.252 0.000 1.228 354 I CB 1.512 39.341 38.000 -0.286 0.000 1.406 354 I HN 0.526 nan 8.210 nan 0.000 0.534 355 S N 2.793 118.456 115.700 -0.061 0.000 2.681 355 S HA 0.362 4.857 4.470 0.040 0.000 0.270 355 S C 0.961 175.582 174.600 0.036 0.000 1.209 355 S CA -0.481 57.707 58.200 -0.021 0.000 0.988 355 S CB 1.473 64.666 63.200 -0.012 0.000 1.006 355 S HN 0.874 nan 8.310 nan 0.000 0.558 356 R N 0.332 120.850 120.500 0.031 0.000 2.120 356 R HA -0.017 4.348 4.340 0.040 0.000 0.234 356 R C 2.194 178.588 176.300 0.157 0.000 1.123 356 R CA 1.587 57.733 56.100 0.077 0.000 0.975 356 R CB -1.033 29.282 30.300 0.024 0.000 0.866 356 R HN 0.806 nan 8.270 nan 0.000 0.446 357 A N 0.297 123.178 122.820 0.102 0.000 1.897 357 A HA -0.137 4.208 4.320 0.040 0.000 0.215 357 A C 2.010 179.658 177.584 0.106 0.000 1.181 357 A CA 1.181 53.276 52.037 0.096 0.000 0.620 357 A CB -0.376 18.660 19.000 0.060 0.000 0.821 357 A HN 0.479 nan 8.150 nan 0.000 0.443 358 Q N -1.640 118.222 119.800 0.104 0.000 2.135 358 Q HA -0.189 4.175 4.340 0.040 0.000 0.204 358 Q C 1.853 177.959 176.000 0.178 0.000 0.981 358 Q CA 1.714 57.586 55.803 0.114 0.000 0.856 358 Q CB -0.329 28.456 28.738 0.077 0.000 0.902 358 Q HN 0.784 nan 8.270 nan 0.000 0.425 359 F N 0.983 120.974 119.950 0.068 0.000 2.134 359 F HA -0.171 4.384 4.527 0.047 0.000 0.299 359 F C 1.657 177.503 175.800 0.077 0.000 1.097 359 F CA 1.125 59.177 58.000 0.087 0.000 1.264 359 F CB 0.057 39.093 39.000 0.059 0.000 1.001 359 F HN -0.046 nan 8.300 nan 0.000 0.479 360 L N -0.103 121.151 121.223 0.051 0.000 2.109 360 L HA -0.097 4.267 4.340 0.040 0.000 0.207 360 L C 2.763 179.589 176.870 -0.072 0.000 1.086 360 L CA 1.047 55.857 54.840 -0.050 0.000 0.760 360 L CB -1.397 40.707 42.059 0.075 0.000 0.910 360 L HN 0.229 nan 8.230 nan 0.000 0.437 361 A N 0.602 123.415 122.820 -0.012 0.000 1.970 361 A HA 0.010 4.354 4.320 0.040 0.000 0.216 361 A C 2.407 179.979 177.584 -0.020 0.000 1.170 361 A CA 1.253 53.288 52.037 -0.004 0.000 0.645 361 A CB -0.991 18.026 19.000 0.028 0.000 0.816 361 A HN 0.404 nan 8.150 nan 0.000 0.447 362 G N -0.444 108.341 108.800 -0.024 0.000 2.432 362 G HA2 -0.104 3.880 3.960 0.040 0.000 0.219 362 G HA3 -0.104 3.880 3.960 0.040 0.000 0.219 362 G C 1.414 176.243 174.900 -0.118 0.000 1.135 362 G CA 1.274 46.355 45.100 -0.030 0.000 0.767 362 G HN 0.310 nan 8.290 nan 0.000 0.550 363 V N 0.974 120.753 119.914 -0.226 0.000 2.548 363 V HA -0.068 4.076 4.120 0.040 0.000 0.249 363 V C 2.814 178.847 176.094 -0.102 0.000 1.055 363 V CA 1.282 63.449 62.300 -0.220 0.000 1.065 363 V CB -0.308 31.309 31.823 -0.343 0.000 0.681 363 V HN 0.258 nan 8.190 nan 0.000 0.462 364 R N -0.093 120.364 120.500 -0.072 0.000 2.189 364 R HA 0.081 4.445 4.340 0.040 0.000 0.218 364 R C 1.992 178.276 176.300 -0.027 0.000 1.074 364 R CA 1.107 57.186 56.100 -0.035 0.000 0.991 364 R CB -0.556 29.733 30.300 -0.019 0.000 0.883 364 R HN 0.460 nan 8.270 nan 0.000 0.457 365 I N -0.254 120.299 120.570 -0.029 0.000 2.400 365 I HA -0.046 4.148 4.170 0.040 0.000 0.248 365 I C 2.361 178.466 176.117 -0.020 0.000 1.109 365 I CA 1.216 62.504 61.300 -0.019 0.000 1.425 365 I CB -0.416 37.580 38.000 -0.007 0.000 1.094 365 I HN 0.162 nan 8.210 nan 0.000 0.425 366 G N 0.373 109.154 108.800 -0.031 0.000 2.421 366 G HA2 -0.044 3.941 3.960 0.040 0.000 0.217 366 G HA3 -0.044 3.941 3.960 0.040 0.000 0.217 366 G C 0.817 175.710 174.900 -0.011 0.000 1.143 366 G CA 0.397 45.488 45.100 -0.015 0.000 0.784 366 G HN 0.226 nan 8.290 nan 0.000 0.541 367 V N 2.113 121.998 119.914 -0.048 0.000 2.271 367 V HA 0.226 4.371 4.120 0.040 0.000 0.259 367 V C -1.456 174.621 176.094 -0.029 0.000 1.030 367 V CA -1.153 61.090 62.300 -0.095 0.000 0.957 367 V CB 1.467 33.223 31.823 -0.112 0.000 1.186 367 V HN 0.090 nan 8.190 nan 0.000 0.471 368 P HA -0.099 nan 4.420 nan 0.000 0.223 368 P C 1.036 178.339 177.300 0.005 0.000 1.151 368 P CA 0.915 64.015 63.100 0.000 0.000 0.787 368 P CB 0.593 32.292 31.700 -0.001 0.000 0.788 369 Q N -0.391 119.421 119.800 0.020 0.000 2.403 369 Q HA 0.257 4.622 4.340 0.040 0.000 0.203 369 Q C 0.696 176.701 176.000 0.007 0.000 0.932 369 Q CA -0.051 55.763 55.803 0.018 0.000 0.945 369 Q CB -0.392 28.370 28.738 0.039 0.000 1.045 369 Q HN 0.161 nan 8.270 nan 0.000 0.511 370 A N 0.788 123.608 122.820 -0.000 0.000 2.362 370 A HA 0.452 4.797 4.320 0.040 0.000 0.276 370 A C 0.386 177.967 177.584 -0.004 0.000 1.153 370 A CA -0.377 51.657 52.037 -0.005 0.000 0.813 370 A CB 0.207 19.205 19.000 -0.004 0.000 1.081 370 A HN 0.332 nan 8.150 nan 0.000 0.507 371 S N 2.044 117.739 115.700 -0.008 0.000 2.596 371 S HA 0.054 4.548 4.470 0.040 0.000 0.260 371 S C 0.572 175.176 174.600 0.007 0.000 1.336 371 S CA 0.563 58.760 58.200 -0.004 0.000 0.993 371 S CB 0.350 63.542 63.200 -0.012 0.000 0.923 371 S HN 0.638 nan 8.310 nan 0.000 0.567 372 D N 0.079 120.486 120.400 0.012 0.000 2.116 372 D HA -0.104 4.561 4.640 0.040 0.000 0.193 372 D C 1.707 178.030 176.300 0.038 0.000 0.998 372 D CA 1.405 55.419 54.000 0.024 0.000 0.836 372 D CB -0.300 40.514 40.800 0.023 0.000 0.951 372 D HN 0.456 nan 8.370 nan 0.000 0.449 373 L N 0.313 121.557 121.223 0.034 0.000 2.056 373 L HA 0.006 4.370 4.340 0.040 0.000 0.207 373 L C 2.008 178.919 176.870 0.068 0.000 1.078 373 L CA 1.810 56.681 54.840 0.052 0.000 0.749 373 L CB -0.874 41.208 42.059 0.038 0.000 0.901 373 L HN 0.016 nan 8.230 nan 0.000 0.433 374 A N -0.378 122.462 122.820 0.035 0.000 1.902 374 A HA -0.104 4.240 4.320 0.040 0.000 0.217 374 A C 2.476 180.105 177.584 0.075 0.000 1.181 374 A CA 1.804 53.860 52.037 0.032 0.000 0.623 374 A CB -1.230 17.752 19.000 -0.032 0.000 0.818 374 A HN 0.577 nan 8.150 nan 0.000 0.443 375 A N -0.436 122.417 122.820 0.056 0.000 1.917 375 A HA -0.259 4.086 4.320 0.040 0.000 0.219 375 A C 2.000 179.644 177.584 0.101 0.000 1.182 375 A CA 2.086 54.158 52.037 0.059 0.000 0.633 375 A CB -0.551 18.469 19.000 0.033 0.000 0.819 375 A HN 0.654 nan 8.150 nan 0.000 0.448 376 E N -0.742 119.526 120.200 0.114 0.000 2.107 376 E HA 0.017 4.391 4.350 0.040 0.000 0.191 376 E C 2.229 178.944 176.600 0.192 0.000 0.982 376 E CA 0.755 57.243 56.400 0.146 0.000 0.809 376 E CB -0.232 29.542 29.700 0.124 0.000 0.756 376 E HN 0.579 nan 8.360 nan 0.000 0.459 377 A N 0.331 123.279 122.820 0.213 0.000 1.908 377 A HA -0.191 4.153 4.320 0.040 0.000 0.218 377 A C 2.371 180.106 177.584 0.251 0.000 1.181 377 A CA 1.557 53.762 52.037 0.281 0.000 0.627 377 A CB -0.733 18.537 19.000 0.448 0.000 0.818 377 A HN 0.196 nan 8.150 nan 0.000 0.445 378 V N -0.555 119.534 119.914 0.291 0.000 2.270 378 V HA -0.229 3.915 4.120 0.040 0.000 0.245 378 V C 2.573 178.899 176.094 0.386 0.000 1.043 378 V CA 1.935 64.422 62.300 0.312 0.000 1.014 378 V CB -0.888 31.091 31.823 0.261 0.000 0.645 378 V HN 0.368 nan 8.190 nan 0.000 0.447 379 V N -0.052 120.049 119.914 0.311 0.000 2.282 379 V HA -0.297 3.847 4.120 0.040 0.000 0.249 379 V C 2.313 178.669 176.094 0.437 0.000 1.057 379 V CA 2.218 64.779 62.300 0.435 0.000 1.032 379 V CB -0.564 31.469 31.823 0.349 0.000 0.645 379 V HN 0.455 nan 8.190 nan 0.000 0.447 380 L N -0.929 120.521 121.223 0.378 0.000 2.141 380 L HA -0.170 4.194 4.340 0.040 0.000 0.209 380 L C 2.505 179.601 176.870 0.376 0.000 1.094 380 L CA 1.722 56.839 54.840 0.463 0.000 0.763 380 L CB -0.708 41.533 42.059 0.304 0.000 0.908 380 L HN 0.464 nan 8.230 nan 0.000 0.437 381 H N -0.891 118.211 119.070 0.053 0.000 2.363 381 H HA -0.157 4.425 4.556 0.044 0.000 0.301 381 H C 1.787 177.020 175.328 -0.159 0.000 1.074 381 H CA 1.818 57.737 56.048 -0.215 0.000 1.354 381 H CB 0.071 29.382 29.762 -0.752 0.000 1.397 381 H HN 0.220 nan 8.280 nan 0.000 0.516 382 Y N -0.163 120.184 120.300 0.078 0.000 2.510 382 Y HA 0.133 4.707 4.550 0.039 0.000 0.273 382 Y C 0.771 176.617 175.900 -0.091 0.000 1.119 382 Y CA 0.358 58.506 58.100 0.080 0.000 1.286 382 Y CB 0.332 39.000 38.460 0.346 0.000 1.061 382 Y HN 0.027 nan 8.280 nan 0.000 0.542 383 T N 1.689 116.189 114.554 -0.090 0.000 2.902 383 T HA -0.082 4.292 4.350 0.040 0.000 0.301 383 T C -0.199 174.109 174.700 -0.654 0.000 1.012 383 T CA -0.137 61.613 62.100 -0.583 0.000 1.151 383 T CB 0.189 68.412 68.868 -1.075 0.000 0.946 383 T HN 0.073 nan 8.240 nan 0.000 0.542 384 D N 2.141 122.203 120.400 -0.562 0.000 2.352 384 D HA 0.065 4.729 4.640 0.040 0.000 0.245 384 D C 0.142 176.116 176.300 -0.543 0.000 1.224 384 D CA -0.583 53.146 54.000 -0.452 0.000 0.879 384 D CB 0.393 40.941 40.800 -0.418 0.000 1.057 384 D HN 0.614 nan 8.370 nan 0.000 0.491 385 W N 3.091 124.280 121.300 -0.186 0.000 2.611 385 W HA 0.018 4.701 4.660 0.038 0.000 0.251 385 W C 2.006 178.393 176.519 -0.219 0.000 1.265 385 W CA -0.234 57.011 57.345 -0.167 0.000 1.295 385 W CB -0.025 29.357 29.460 -0.130 0.000 1.129 385 W HN 0.436 nan 8.180 nan 0.000 0.630 386 L N -1.187 119.911 121.223 -0.209 0.000 2.240 386 L HA -0.074 4.290 4.340 0.040 0.000 0.211 386 L C 0.158 176.611 176.870 -0.695 0.000 1.106 386 L CA 1.188 55.749 54.840 -0.466 0.000 0.793 386 L CB -0.255 41.406 42.059 -0.664 0.000 0.927 386 L HN 0.034 nan 8.230 nan 0.000 0.446 387 H N -2.356 116.584 119.070 -0.216 0.000 2.597 387 H HA 0.151 4.715 4.556 0.013 0.000 0.225 387 H C -1.847 173.307 175.328 -0.289 0.000 1.422 387 H CA -1.273 54.638 56.048 -0.228 0.000 1.335 387 H CB 0.150 29.742 29.762 -0.284 0.000 1.783 387 H HN -0.088 nan 8.280 nan 0.000 0.513 388 P HA -0.188 nan 4.420 nan 0.000 0.219 388 P C 0.568 177.708 177.300 -0.266 0.000 1.146 388 P CA 1.382 64.266 63.100 -0.359 0.000 0.808 388 P CB 0.612 32.176 31.700 -0.226 0.000 0.779 389 E N -1.157 118.963 120.200 -0.133 0.000 2.601 389 E HA 0.039 4.414 4.350 0.040 0.000 0.219 389 E C -0.013 176.548 176.600 -0.065 0.000 0.964 389 E CA -0.309 56.034 56.400 -0.095 0.000 1.050 389 E CB 0.098 29.769 29.700 -0.048 0.000 1.068 389 E HN 0.156 nan 8.360 nan 0.000 0.496 390 D N 2.204 122.582 120.400 -0.038 0.000 2.472 390 D HA -0.029 4.635 4.640 0.040 0.000 0.248 390 D C -1.680 174.601 176.300 -0.031 0.000 1.174 390 D CA -1.419 52.578 54.000 -0.006 0.000 0.883 390 D CB 1.229 42.076 40.800 0.079 0.000 1.149 390 D HN -0.144 nan 8.370 nan 0.000 0.488 391 P HA -0.088 nan 4.420 nan 0.000 0.219 391 P C 1.162 178.402 177.300 -0.100 0.000 1.150 391 P CA 0.979 64.025 63.100 -0.091 0.000 0.814 391 P CB 0.175 31.811 31.700 -0.108 0.000 0.787 392 T N -1.443 113.053 114.554 -0.097 0.000 2.652 392 T HA -0.198 4.176 4.350 0.040 0.000 0.267 392 T C 1.529 176.161 174.700 -0.113 0.000 1.039 392 T CA 1.687 63.711 62.100 -0.127 0.000 1.153 392 T CB -1.162 67.604 68.868 -0.170 0.000 0.863 392 T HN 0.269 nan 8.240 nan 0.000 0.428 393 H N 0.665 119.687 119.070 -0.079 0.000 2.290 393 H HA 0.038 4.610 4.556 0.026 0.000 0.298 393 H C 2.236 177.505 175.328 -0.098 0.000 1.087 393 H CA 1.383 57.388 56.048 -0.072 0.000 1.291 393 H CB -0.401 29.305 29.762 -0.093 0.000 1.369 393 H HN 0.166 nan 8.280 nan 0.000 0.492 394 L N 0.171 121.367 121.223 -0.045 0.000 2.079 394 L HA -0.211 4.153 4.340 0.040 0.000 0.210 394 L C 2.788 179.703 176.870 0.075 0.000 1.081 394 L CA 1.182 55.922 54.840 -0.166 0.000 0.752 394 L CB -0.336 41.598 42.059 -0.209 0.000 0.896 394 L HN 0.284 nan 8.230 nan 0.000 0.433 395 R N 0.474 121.007 120.500 0.055 0.000 2.066 395 R HA -0.171 4.193 4.340 0.040 0.000 0.232 395 R C 1.640 178.093 176.300 0.256 0.000 1.131 395 R CA 2.028 58.211 56.100 0.138 0.000 0.955 395 R CB -0.456 29.754 30.300 -0.150 0.000 0.851 395 R HN 0.339 nan 8.270 nan 0.000 0.432 396 D N 0.629 121.130 120.400 0.168 0.000 2.144 396 D HA -0.087 4.577 4.640 0.040 0.000 0.200 396 D C 1.761 178.210 176.300 0.248 0.000 0.978 396 D CA 1.447 55.572 54.000 0.209 0.000 0.833 396 D CB -0.217 40.663 40.800 0.133 0.000 0.961 396 D HN 0.372 nan 8.370 nan 0.000 0.470 397 A N 0.743 123.710 122.820 0.246 0.000 1.902 397 A HA -0.177 4.167 4.320 0.040 0.000 0.217 397 A C 2.134 179.933 177.584 0.358 0.000 1.181 397 A CA 1.492 53.729 52.037 0.334 0.000 0.623 397 A CB -0.469 18.680 19.000 0.248 0.000 0.818 397 A HN 0.116 nan 8.150 nan 0.000 0.443 398 M N 0.192 120.051 119.600 0.431 0.000 2.080 398 M HA -0.130 4.374 4.480 0.040 0.000 0.260 398 M C 2.365 178.738 176.300 0.122 0.000 1.068 398 M CA 2.212 57.685 55.300 0.290 0.000 1.109 398 M CB -0.765 32.051 32.600 0.361 0.000 1.342 398 M HN 0.459 nan 8.290 nan 0.000 0.405 399 S N -0.313 115.496 115.700 0.181 0.000 2.353 399 S HA -0.166 4.328 4.470 0.040 0.000 0.222 399 S C 2.091 176.780 174.600 0.148 0.000 1.035 399 S CA 2.025 60.328 58.200 0.172 0.000 1.025 399 S CB -0.787 62.575 63.200 0.270 0.000 0.902 399 S HN 0.623 nan 8.310 nan 0.000 0.440 400 A N 0.833 123.767 122.820 0.189 0.000 1.940 400 A HA -0.030 4.314 4.320 0.040 0.000 0.219 400 A C 2.404 180.052 177.584 0.107 0.000 1.176 400 A CA 1.906 54.077 52.037 0.224 0.000 0.631 400 A CB -1.204 18.030 19.000 0.390 0.000 0.814 400 A HN 0.494 nan 8.150 nan 0.000 0.446 401 V N -0.422 119.401 119.914 -0.150 0.000 2.255 401 V HA -0.273 3.871 4.120 0.040 0.000 0.247 401 V C 2.595 178.632 176.094 -0.095 0.000 1.051 401 V CA 2.227 64.354 62.300 -0.290 0.000 1.018 401 V CB -0.807 30.830 31.823 -0.309 0.000 0.641 401 V HN 0.401 nan 8.190 nan 0.000 0.445 402 V N 0.615 120.500 119.914 -0.049 0.000 2.307 402 V HA -0.151 3.993 4.120 0.040 0.000 0.245 402 V C 2.602 178.634 176.094 -0.104 0.000 1.045 402 V CA 2.167 64.444 62.300 -0.038 0.000 1.024 402 V CB -1.396 30.466 31.823 0.066 0.000 0.651 402 V HN 0.614 nan 8.190 nan 0.000 0.449 403 G N -0.313 108.483 108.800 -0.007 0.000 2.404 403 G HA2 -0.225 3.760 3.960 0.040 0.000 0.215 403 G HA3 -0.225 3.760 3.960 0.040 0.000 0.215 403 G C 1.225 176.072 174.900 -0.087 0.000 1.174 403 G CA 0.998 46.095 45.100 -0.004 0.000 0.780 403 G HN 0.496 nan 8.290 nan 0.000 0.537 404 D N -0.060 120.314 120.400 -0.044 0.000 2.084 404 D HA -0.110 4.554 4.640 0.040 0.000 0.194 404 D C 2.105 178.127 176.300 -0.463 0.000 0.990 404 D CA 1.441 55.388 54.000 -0.088 0.000 0.826 404 D CB -0.600 40.341 40.800 0.235 0.000 0.971 404 D HN 0.428 nan 8.370 nan 0.000 0.453 405 H N 0.756 119.271 119.070 -0.925 0.000 2.353 405 H HA -0.003 4.577 4.556 0.040 0.000 0.300 405 H C 1.536 176.485 175.328 -0.632 0.000 1.090 405 H CA 1.779 57.047 56.048 -1.300 0.000 1.327 405 H CB 0.052 28.986 29.762 -1.380 0.000 1.383 405 H HN 0.007 nan 8.280 nan 0.000 0.508 406 N N -0.853 117.454 118.700 -0.656 0.000 2.387 406 N HA -0.006 4.758 4.740 0.040 0.000 0.176 406 N C 1.438 176.776 175.510 -0.287 0.000 1.022 406 N CA 1.223 53.879 53.050 -0.656 0.000 0.883 406 N CB 0.795 38.414 38.487 -1.446 0.000 1.019 406 N HN 0.279 nan 8.380 nan 0.000 0.435 407 V N -0.117 119.646 119.914 -0.252 0.000 3.001 407 V HA 0.060 4.204 4.120 0.040 0.000 0.228 407 V C 2.264 178.320 176.094 -0.062 0.000 1.204 407 V CA 0.276 62.540 62.300 -0.059 0.000 1.247 407 V CB -0.215 31.616 31.823 0.014 0.000 1.093 407 V HN -0.149 nan 8.190 nan 0.000 0.504 408 V N 0.160 120.037 119.914 -0.061 0.000 2.261 408 V HA -0.296 3.849 4.120 0.040 0.000 0.246 408 V C 2.563 178.630 176.094 -0.046 0.000 1.047 408 V CA 2.586 64.863 62.300 -0.039 0.000 1.015 408 V CB -0.854 30.976 31.823 0.013 0.000 0.642 408 V HN 0.656 nan 8.190 nan 0.000 0.446 409 c N -0.242 118.329 118.600 -0.048 0.000 2.446 409 c HA -0.022 4.572 4.570 0.040 0.000 0.277 409 c C 0.626 174.693 174.090 -0.039 0.000 1.275 409 c CA 1.020 57.349 56.329 -0.001 0.000 1.727 409 c CB -1.996 40.551 42.510 0.063 0.000 2.010 409 c HN 0.458 nan 8.230 nan 0.000 0.486 410 P HA -0.086 nan 4.420 nan 0.000 0.216 410 P C 1.741 178.984 177.300 -0.094 0.000 1.150 410 P CA 1.409 64.448 63.100 -0.102 0.000 0.843 410 P CB -0.163 31.456 31.700 -0.135 0.000 0.787 411 V N 0.082 119.939 119.914 -0.095 0.000 2.307 411 V HA -0.247 3.897 4.120 0.040 0.000 0.245 411 V C 2.476 178.473 176.094 -0.162 0.000 1.045 411 V CA 2.213 64.435 62.300 -0.130 0.000 1.024 411 V CB -1.731 30.008 31.823 -0.141 0.000 0.651 411 V HN 0.099 nan 8.190 nan 0.000 0.449 412 A N -0.571 122.174 122.820 -0.125 0.000 1.892 412 A HA -0.360 3.984 4.320 0.040 0.000 0.218 412 A C 2.261 179.815 177.584 -0.050 0.000 1.188 412 A CA 2.475 54.452 52.037 -0.100 0.000 0.631 412 A CB -0.631 18.369 19.000 -0.000 0.000 0.822 412 A HN 0.638 nan 8.150 nan 0.000 0.447 413 Q N -0.918 118.867 119.800 -0.025 0.000 2.020 413 Q HA -0.198 4.166 4.340 0.040 0.000 0.202 413 Q C 2.038 178.019 176.000 -0.032 0.000 0.982 413 Q CA 1.843 57.644 55.803 -0.004 0.000 0.838 413 Q CB -0.310 28.426 28.738 -0.004 0.000 0.899 413 Q HN 0.533 nan 8.270 nan 0.000 0.423 414 L N 0.741 121.916 121.223 -0.080 0.000 2.013 414 L HA -0.179 4.185 4.340 0.040 0.000 0.212 414 L C 2.290 179.086 176.870 -0.123 0.000 1.073 414 L CA 2.382 57.157 54.840 -0.108 0.000 0.753 414 L CB -0.859 41.117 42.059 -0.139 0.000 0.890 414 L HN 0.325 nan 8.230 nan 0.000 0.432 415 A N -0.631 122.078 122.820 -0.185 0.000 1.877 415 A HA -0.098 4.246 4.320 0.040 0.000 0.216 415 A C 2.357 179.931 177.584 -0.015 0.000 1.186 415 A CA 1.689 53.566 52.037 -0.267 0.000 0.620 415 A CB -1.669 16.899 19.000 -0.720 0.000 0.822 415 A HN 0.549 nan 8.150 nan 0.000 0.443 416 G N -0.487 108.375 108.800 0.103 0.000 2.446 416 G HA2 -0.245 3.739 3.960 0.040 0.000 0.217 416 G HA3 -0.245 3.739 3.960 0.040 0.000 0.217 416 G C 1.684 176.664 174.900 0.133 0.000 1.168 416 G CA 0.984 46.220 45.100 0.227 0.000 0.771 416 G HN 0.403 nan 8.290 nan 0.000 0.551 417 R N 0.345 120.892 120.500 0.078 0.000 2.070 417 R HA 0.092 4.456 4.340 0.040 0.000 0.233 417 R C 2.716 179.087 176.300 0.118 0.000 1.137 417 R CA 0.621 56.777 56.100 0.093 0.000 0.945 417 R CB -1.407 28.942 30.300 0.081 0.000 0.845 417 R HN 0.410 nan 8.270 nan 0.000 0.430 418 L N 0.400 121.633 121.223 0.017 0.000 2.043 418 L HA -0.196 4.168 4.340 0.040 0.000 0.212 418 L C 2.567 179.495 176.870 0.098 0.000 1.075 418 L CA 1.657 56.477 54.840 -0.033 0.000 0.752 418 L CB -0.697 41.242 42.059 -0.201 0.000 0.891 418 L HN 0.193 nan 8.230 nan 0.000 0.432 419 A N -0.176 122.706 122.820 0.103 0.000 1.898 419 A HA -0.110 4.235 4.320 0.040 0.000 0.216 419 A C 2.547 180.194 177.584 0.105 0.000 1.181 419 A CA 1.521 53.627 52.037 0.115 0.000 0.620 419 A CB -0.691 18.409 19.000 0.167 0.000 0.819 419 A HN 0.395 nan 8.150 nan 0.000 0.442 420 A N -0.775 122.112 122.820 0.111 0.000 1.940 420 A HA -0.208 4.136 4.320 0.040 0.000 0.219 420 A C 1.877 179.520 177.584 0.100 0.000 1.176 420 A CA 1.747 53.839 52.037 0.091 0.000 0.631 420 A CB -0.429 18.624 19.000 0.088 0.000 0.814 420 A HN 0.615 nan 8.150 nan 0.000 0.446 421 Q N -1.709 118.184 119.800 0.156 0.000 2.217 421 Q HA 0.386 4.750 4.340 0.040 0.000 0.226 421 Q C 0.874 176.977 176.000 0.171 0.000 0.875 421 Q CA 0.398 56.297 55.803 0.160 0.000 0.974 421 Q CB 0.252 29.113 28.738 0.205 0.000 1.079 421 Q HN 0.839 nan 8.270 nan 0.000 0.463 422 G N -0.415 108.466 108.800 0.135 0.000 2.194 422 G HA2 -0.283 3.701 3.960 0.040 0.000 0.236 422 G HA3 -0.283 3.701 3.960 0.040 0.000 0.236 422 G C 0.333 175.306 174.900 0.122 0.000 0.987 422 G CA -0.204 44.959 45.100 0.106 0.000 0.635 422 G HN 0.554 nan 8.290 nan 0.000 0.520 423 A N 0.255 123.174 122.820 0.164 0.000 2.425 423 A HA 0.648 4.992 4.320 0.040 0.000 0.242 423 A C 0.786 178.412 177.584 0.069 0.000 1.077 423 A CA 0.743 52.855 52.037 0.126 0.000 0.781 423 A CB 0.247 19.301 19.000 0.090 0.000 1.020 423 A HN 1.025 nan 8.150 nan 0.000 0.494 424 R N 1.759 122.298 120.500 0.064 0.000 2.202 424 R HA 0.504 4.868 4.340 0.040 0.000 0.334 424 R C -1.636 174.662 176.300 -0.003 0.000 1.036 424 R CA -0.218 55.889 56.100 0.012 0.000 0.878 424 R CB 0.458 30.791 30.300 0.056 0.000 1.067 424 R HN 0.418 nan 8.270 nan 0.000 0.457 425 V N 5.803 125.643 119.914 -0.123 0.000 2.495 425 V HA 0.413 4.557 4.120 0.040 0.000 0.298 425 V C -1.086 174.819 176.094 -0.315 0.000 1.031 425 V CA -0.741 61.501 62.300 -0.096 0.000 0.871 425 V CB 1.458 33.284 31.823 0.004 0.000 0.988 425 V HN 0.655 nan 8.190 nan 0.000 0.432 426 Y N 2.162 122.402 120.300 -0.100 0.000 2.393 426 Y HA 0.810 5.384 4.550 0.040 0.000 0.341 426 Y C 0.335 176.255 175.900 0.034 0.000 0.988 426 Y CA -0.558 57.453 58.100 -0.150 0.000 1.078 426 Y CB 2.190 40.211 38.460 -0.731 0.000 1.203 426 Y HN 0.762 nan 8.280 nan 0.000 0.453 427 A N 2.730 125.874 122.820 0.540 0.000 2.454 427 A HA 0.884 5.228 4.320 0.040 0.000 0.302 427 A C -1.972 176.017 177.584 0.674 0.000 1.079 427 A CA -0.735 51.533 52.037 0.385 0.000 0.731 427 A CB 1.288 20.354 19.000 0.109 0.000 1.299 427 A HN 0.752 nan 8.150 nan 0.000 0.413 428 Y N -0.713 119.838 120.300 0.417 0.000 2.571 428 Y HA 0.781 5.354 4.550 0.040 0.000 0.341 428 Y C -1.335 174.731 175.900 0.276 0.000 1.076 428 Y CA -1.582 56.725 58.100 0.346 0.000 1.029 428 Y CB 1.095 39.778 38.460 0.371 0.000 1.308 428 Y HN 0.729 nan 8.280 nan 0.000 0.461 429 I N 3.853 124.741 120.570 0.529 0.000 2.474 429 I HA 0.522 4.716 4.170 0.040 0.000 0.294 429 I C -1.760 174.697 176.117 0.568 0.000 1.005 429 I CA -1.119 60.459 61.300 0.464 0.000 1.113 429 I CB 1.292 39.472 38.000 0.301 0.000 1.289 429 I HN 0.752 nan 8.210 nan 0.000 0.436 430 F N 6.906 127.118 119.950 0.437 0.000 2.427 430 F HA 0.425 4.977 4.527 0.041 0.000 0.346 430 F C 0.422 176.365 175.800 0.238 0.000 1.120 430 F CA -0.028 58.168 58.000 0.328 0.000 1.033 430 F CB 1.083 40.284 39.000 0.334 0.000 1.126 430 F HN 0.540 nan 8.300 nan 0.000 0.462 431 E N 2.699 122.766 120.200 -0.223 0.000 2.641 431 E HA -0.024 4.350 4.350 0.040 0.000 0.224 431 E C -0.795 175.690 176.600 -0.191 0.000 0.951 431 E CA -0.164 56.184 56.400 -0.088 0.000 1.102 431 E CB 0.336 30.015 29.700 -0.036 0.000 1.091 431 E HN 0.511 nan 8.360 nan 0.000 0.507 432 H N 1.904 120.613 119.070 -0.601 0.000 2.723 432 H HA 0.210 4.790 4.556 0.040 0.000 0.294 432 H C -0.343 174.942 175.328 -0.072 0.000 1.079 432 H CA -0.304 55.476 56.048 -0.446 0.000 1.411 432 H CB 0.364 29.682 29.762 -0.739 0.000 1.439 432 H HN -0.157 nan 8.280 nan 0.000 0.474 433 R N 4.145 124.330 120.500 -0.524 0.000 2.248 433 R HA 0.410 4.775 4.340 0.040 0.000 0.328 433 R C -0.406 175.583 176.300 -0.519 0.000 1.067 433 R CA -0.421 55.497 56.100 -0.304 0.000 0.924 433 R CB 0.214 30.427 30.300 -0.144 0.000 1.013 433 R HN 0.825 nan 8.270 nan 0.000 0.454 434 A N 3.199 126.019 122.820 0.000 0.000 2.540 434 A HA 0.009 4.353 4.320 0.040 0.000 0.239 434 A C 1.331 179.040 177.584 0.208 0.000 1.061 434 A CA 0.429 52.698 52.037 0.386 0.000 0.758 434 A CB 0.340 19.746 19.000 0.678 0.000 0.991 434 A HN 1.028 nan 8.150 nan 0.000 0.502 435 S N 1.742 117.618 115.700 0.294 0.000 2.382 435 S HA -0.197 4.298 4.470 0.040 0.000 0.228 435 S C 1.581 176.224 174.600 0.072 0.000 1.027 435 S CA 1.757 60.054 58.200 0.162 0.000 0.991 435 S CB -1.177 62.138 63.200 0.191 0.000 0.823 435 S HN 1.265 nan 8.310 nan 0.000 0.469 436 T N -0.173 114.407 114.554 0.045 0.000 3.163 436 T HA 0.199 4.573 4.350 0.040 0.000 0.260 436 T C 0.507 175.178 174.700 -0.048 0.000 1.156 436 T CA -0.243 61.811 62.100 -0.077 0.000 1.072 436 T CB -0.680 68.027 68.868 -0.268 0.000 0.937 436 T HN 0.210 nan 8.240 nan 0.000 0.528 437 L N 4.045 125.273 121.223 0.009 0.000 2.499 437 L HA 0.253 4.617 4.340 0.040 0.000 0.273 437 L C 1.466 178.305 176.870 -0.051 0.000 1.195 437 L CA 0.588 55.414 54.840 -0.024 0.000 0.882 437 L CB 0.708 42.752 42.059 -0.024 0.000 1.133 437 L HN 0.439 nan 8.230 nan 0.000 0.483 438 T N -0.179 114.308 114.554 -0.111 0.000 3.060 438 T HA 0.110 4.484 4.350 0.040 0.000 0.249 438 T C 0.364 175.071 174.700 0.011 0.000 1.079 438 T CA -0.440 61.602 62.100 -0.097 0.000 1.013 438 T CB -0.308 68.416 68.868 -0.240 0.000 0.975 438 T HN 0.414 nan 8.240 nan 0.000 0.518 439 W N 3.272 124.576 121.300 0.007 0.000 2.161 439 W HA 0.453 5.137 4.660 0.040 0.000 0.344 439 W C -2.012 174.405 176.519 -0.170 0.000 1.262 439 W CA -2.260 55.054 57.345 -0.051 0.000 1.270 439 W CB 0.208 29.549 29.460 -0.199 0.000 1.126 439 W HN -0.054 nan 8.180 nan 0.000 0.598 440 P HA 0.004 nan 4.420 nan 0.000 0.272 440 P C 0.374 177.585 177.300 -0.149 0.000 1.240 440 P CA -0.052 63.003 63.100 -0.075 0.000 0.791 440 P CB 0.874 32.543 31.700 -0.052 0.000 0.978 441 L N 0.353 121.556 121.223 -0.033 0.000 2.083 441 L HA -0.125 4.239 4.340 0.040 0.000 0.209 441 L C 2.561 179.439 176.870 0.013 0.000 1.083 441 L CA 1.689 56.525 54.840 -0.006 0.000 0.752 441 L CB -1.415 40.671 42.059 0.045 0.000 0.899 441 L HN 0.616 nan 8.230 nan 0.000 0.433 442 W N -0.948 120.381 121.300 0.049 0.000 2.387 442 W HA -0.196 4.487 4.660 0.039 0.000 0.272 442 W C 1.671 178.233 176.519 0.071 0.000 1.224 442 W CA 0.758 58.136 57.345 0.055 0.000 1.210 442 W CB -0.806 28.689 29.460 0.057 0.000 1.125 442 W HN 0.222 nan 8.180 nan 0.000 0.572 443 M N 1.142 120.352 119.600 -0.650 0.000 2.558 443 M HA 0.137 4.641 4.480 0.040 0.000 0.255 443 M C 1.870 178.038 176.300 -0.219 0.000 1.113 443 M CA 1.392 56.306 55.300 -0.643 0.000 1.097 443 M CB -0.571 31.472 32.600 -0.928 0.000 1.426 443 M HN 0.209 nan 8.290 nan 0.000 0.488 444 G N 0.882 109.613 108.800 -0.115 0.000 2.574 444 G HA2 -0.289 3.696 3.960 0.040 0.000 0.301 444 G HA3 -0.289 3.696 3.960 0.040 0.000 0.301 444 G C -0.077 174.812 174.900 -0.018 0.000 1.166 444 G CA -0.061 45.027 45.100 -0.020 0.000 0.971 444 G HN 0.254 nan 8.290 nan 0.000 0.542 445 V N 3.638 123.582 119.914 0.049 0.000 2.275 445 V HA 0.500 4.644 4.120 0.040 0.000 0.272 445 V C -1.887 174.283 176.094 0.125 0.000 1.028 445 V CA -0.864 61.516 62.300 0.133 0.000 0.810 445 V CB 1.335 33.305 31.823 0.245 0.000 1.043 445 V HN 0.534 nan 8.190 nan 0.000 0.453 446 P HA 0.268 nan 4.420 nan 0.000 0.276 446 P C -0.652 176.706 177.300 0.096 0.000 1.261 446 P CA -0.393 62.696 63.100 -0.019 0.000 0.800 446 P CB 0.328 31.944 31.700 -0.139 0.000 1.066 447 H N -1.113 117.971 119.070 0.023 0.000 2.815 447 H HA 0.458 5.038 4.556 0.041 0.000 0.350 447 H C 1.368 176.568 175.328 -0.213 0.000 1.080 447 H CA 0.072 56.078 56.048 -0.068 0.000 1.433 447 H CB -0.573 29.094 29.762 -0.159 0.000 1.432 447 H HN 0.812 nan 8.280 nan 0.000 0.592 448 G N 1.438 110.253 108.800 0.026 0.000 2.213 448 G HA2 -0.309 3.675 3.960 0.040 0.000 0.226 448 G HA3 -0.309 3.675 3.960 0.040 0.000 0.226 448 G C 0.468 175.324 174.900 -0.074 0.000 0.992 448 G CA 0.190 45.234 45.100 -0.094 0.000 0.632 448 G HN 0.643 nan 8.290 nan 0.000 0.511 449 Y N 1.716 122.166 120.300 0.250 0.000 2.462 449 Y HA 0.244 4.819 4.550 0.041 0.000 0.293 449 Y C 2.342 178.392 175.900 0.250 0.000 1.195 449 Y CA 0.973 59.251 58.100 0.296 0.000 1.276 449 Y CB 0.379 39.033 38.460 0.324 0.000 1.082 449 Y HN 0.513 nan 8.280 nan 0.000 0.514 450 E N 0.226 120.412 120.200 -0.023 0.000 2.307 450 E HA -0.053 4.321 4.350 0.040 0.000 0.195 450 E C 1.676 178.195 176.600 -0.134 0.000 0.975 450 E CA 0.579 56.657 56.400 -0.536 0.000 0.878 450 E CB -0.475 28.421 29.700 -1.340 0.000 0.845 450 E HN 0.523 nan 8.360 nan 0.000 0.488 451 I N 3.131 123.706 120.570 0.010 0.000 2.113 451 I HA -0.346 3.849 4.170 0.040 0.000 0.242 451 I C 2.807 178.949 176.117 0.041 0.000 1.064 451 I CA 2.362 63.719 61.300 0.096 0.000 1.320 451 I CB -0.608 37.538 38.000 0.243 0.000 1.028 451 I HN 0.249 nan 8.210 nan 0.000 0.406 452 E N 1.243 121.406 120.200 -0.061 0.000 2.160 452 E HA -0.249 4.125 4.350 0.040 0.000 0.195 452 E C 2.100 178.468 176.600 -0.387 0.000 0.991 452 E CA 1.596 57.853 56.400 -0.239 0.000 0.810 452 E CB -0.595 28.924 29.700 -0.302 0.000 0.742 452 E HN 0.474 nan 8.360 nan 0.000 0.466 453 F N 1.450 121.277 119.950 -0.206 0.000 2.128 453 F HA -0.081 4.471 4.527 0.041 0.000 0.295 453 F C 2.420 177.977 175.800 -0.404 0.000 1.100 453 F CA 0.630 58.437 58.000 -0.323 0.000 1.260 453 F CB -0.237 38.611 39.000 -0.254 0.000 1.009 453 F HN -0.027 nan 8.300 nan 0.000 0.476 454 I N -0.725 119.678 120.570 -0.279 0.000 2.208 454 I HA -0.288 3.907 4.170 0.040 0.000 0.245 454 I C 2.176 178.044 176.117 -0.415 0.000 1.097 454 I CA 1.607 62.575 61.300 -0.553 0.000 1.363 454 I CB -1.636 35.888 38.000 -0.793 0.000 1.051 454 I HN 0.088 nan 8.210 nan 0.000 0.413 455 F N 0.973 120.756 119.950 -0.279 0.000 2.661 455 F HA 0.178 4.729 4.527 0.040 0.000 0.298 455 F C 1.920 177.617 175.800 -0.171 0.000 1.137 455 F CA 0.978 58.861 58.000 -0.196 0.000 1.454 455 F CB -0.201 38.666 39.000 -0.221 0.000 1.103 455 F HN 0.314 nan 8.300 nan 0.000 0.577 456 G N -0.181 108.500 108.800 -0.199 0.000 2.132 456 G HA2 -0.282 3.702 3.960 0.040 0.000 0.228 456 G HA3 -0.282 3.702 3.960 0.040 0.000 0.228 456 G C 0.938 175.307 174.900 -0.885 0.000 1.000 456 G CA 0.256 45.122 45.100 -0.389 0.000 0.693 456 G HN 0.282 nan 8.290 nan 0.000 0.515 457 L N 0.527 121.291 121.223 -0.764 0.000 2.079 457 L HA 0.058 4.422 4.340 0.040 0.000 0.210 457 L C 0.399 176.880 176.870 -0.648 0.000 1.081 457 L CA 2.729 57.095 54.840 -0.791 0.000 0.752 457 L CB -0.880 40.969 42.059 -0.350 0.000 0.896 457 L HN 0.202 nan 8.230 nan 0.000 0.433 458 P HA -0.153 nan 4.420 nan 0.000 0.223 458 P C 1.382 178.520 177.300 -0.269 0.000 1.144 458 P CA 0.914 63.647 63.100 -0.613 0.000 0.783 458 P CB 0.038 31.287 31.700 -0.752 0.000 0.771 459 L N -1.396 119.586 121.223 -0.402 0.000 2.610 459 L HA 0.028 4.393 4.340 0.040 0.000 0.232 459 L C 0.795 177.586 176.870 -0.131 0.000 1.149 459 L CA 0.968 55.665 54.840 -0.238 0.000 0.872 459 L CB -0.973 40.950 42.059 -0.227 0.000 0.992 459 L HN -0.086 nan 8.230 nan 0.000 0.447 460 D N -0.319 119.986 120.400 -0.159 0.000 2.380 460 D HA 0.140 4.804 4.640 0.040 0.000 0.230 460 D C -1.639 174.681 176.300 0.033 0.000 1.154 460 D CA -2.140 51.870 54.000 0.017 0.000 0.859 460 D CB 1.620 42.459 40.800 0.064 0.000 1.045 460 D HN -0.054 nan 8.370 nan 0.000 0.495 461 P HA -0.158 nan 4.420 nan 0.000 0.218 461 P C 1.353 178.664 177.300 0.017 0.000 1.148 461 P CA 1.030 64.147 63.100 0.028 0.000 0.822 461 P CB 0.143 31.858 31.700 0.025 0.000 0.784 462 S N -1.276 114.433 115.700 0.014 0.000 2.474 462 S HA -0.072 4.422 4.470 0.040 0.000 0.235 462 S C 1.687 176.265 174.600 -0.037 0.000 0.997 462 S CA 0.781 58.977 58.200 -0.008 0.000 0.949 462 S CB -1.362 61.837 63.200 -0.001 0.000 0.766 462 S HN 0.095 nan 8.310 nan 0.000 0.517 463 L N 0.843 122.045 121.223 -0.036 0.000 2.558 463 L HA 0.230 4.594 4.340 0.040 0.000 0.225 463 L C 0.233 176.955 176.870 -0.246 0.000 1.128 463 L CA 0.031 54.796 54.840 -0.125 0.000 0.868 463 L CB -0.455 41.554 42.059 -0.083 0.000 1.006 463 L HN 0.236 nan 8.230 nan 0.000 0.454 464 N N -1.833 116.789 118.700 -0.130 0.000 2.818 464 N HA -0.228 4.536 4.740 0.040 0.000 0.250 464 N C -0.685 174.744 175.510 -0.134 0.000 1.108 464 N CA 0.705 53.681 53.050 -0.124 0.000 0.745 464 N CB -1.804 36.596 38.487 -0.144 0.000 1.104 464 N HN 0.218 nan 8.380 nan 0.000 0.557 465 Y N 1.192 121.480 120.300 -0.019 0.000 2.346 465 Y HA 0.174 4.747 4.550 0.040 0.000 0.330 465 Y C 1.880 177.807 175.900 0.045 0.000 1.178 465 Y CA -0.047 58.068 58.100 0.025 0.000 1.331 465 Y CB 0.503 38.965 38.460 0.003 0.000 1.253 465 Y HN 0.103 nan 8.280 nan 0.000 0.529 466 T N -2.163 112.543 114.554 0.253 0.000 2.855 466 T HA -0.090 4.284 4.350 0.040 0.000 0.322 466 T C 1.395 176.176 174.700 0.136 0.000 1.088 466 T CA 0.150 62.344 62.100 0.158 0.000 1.104 466 T CB 0.799 69.751 68.868 0.140 0.000 0.996 466 T HN 0.871 nan 8.240 nan 0.000 0.549 467 T N -0.571 114.032 114.554 0.081 0.000 2.995 467 T HA -0.044 4.330 4.350 0.040 0.000 0.269 467 T C 1.499 176.226 174.700 0.045 0.000 1.091 467 T CA 1.306 63.439 62.100 0.056 0.000 1.128 467 T CB -0.464 68.425 68.868 0.035 0.000 0.891 467 T HN 0.744 nan 8.240 nan 0.000 0.492 468 E N 1.157 121.380 120.200 0.038 0.000 2.072 468 E HA -0.032 4.342 4.350 0.040 0.000 0.191 468 E C 2.319 178.937 176.600 0.031 0.000 0.985 468 E CA 1.293 57.695 56.400 0.003 0.000 0.801 468 E CB -0.175 29.498 29.700 -0.046 0.000 0.750 468 E HN 0.668 nan 8.360 nan 0.000 0.452 469 E N 0.437 120.691 120.200 0.090 0.000 2.130 469 E HA -0.258 4.116 4.350 0.040 0.000 0.196 469 E C 2.142 178.846 176.600 0.174 0.000 0.998 469 E CA 1.017 57.549 56.400 0.220 0.000 0.806 469 E CB -0.113 29.832 29.700 0.410 0.000 0.738 469 E HN 0.116 nan 8.360 nan 0.000 0.459 470 R N 0.931 121.479 120.500 0.080 0.000 2.081 470 R HA -0.131 4.234 4.340 0.040 0.000 0.235 470 R C 2.209 178.514 176.300 0.009 0.000 1.131 470 R CA 1.187 57.289 56.100 0.003 0.000 0.960 470 R CB -0.159 30.141 30.300 -0.001 0.000 0.856 470 R HN 0.146 nan 8.270 nan 0.000 0.436 471 I N 0.402 120.995 120.570 0.037 0.000 2.252 471 I HA -0.234 3.960 4.170 0.040 0.000 0.245 471 I C 2.151 178.309 176.117 0.068 0.000 1.102 471 I CA 0.739 62.056 61.300 0.029 0.000 1.385 471 I CB -0.358 37.654 38.000 0.019 0.000 1.064 471 I HN 0.171 nan 8.210 nan 0.000 0.414 472 F N 2.214 122.107 119.950 -0.095 0.000 2.065 472 F HA -0.304 4.249 4.527 0.042 0.000 0.298 472 F C 2.494 178.256 175.800 -0.064 0.000 1.112 472 F CA 1.463 59.392 58.000 -0.119 0.000 1.212 472 F CB -0.823 38.043 39.000 -0.223 0.000 0.975 472 F HN 0.039 nan 8.300 nan 0.000 0.476 473 A N -0.019 122.740 122.820 -0.101 0.000 1.908 473 A HA -0.260 4.084 4.320 0.040 0.000 0.218 473 A C 2.160 179.622 177.584 -0.203 0.000 1.181 473 A CA 1.894 53.808 52.037 -0.206 0.000 0.627 473 A CB -0.953 17.950 19.000 -0.161 0.000 0.818 473 A HN 0.631 nan 8.150 nan 0.000 0.445 474 Q N -0.751 118.970 119.800 -0.131 0.000 2.061 474 Q HA -0.218 4.146 4.340 0.040 0.000 0.204 474 Q C 2.403 178.307 176.000 -0.160 0.000 0.984 474 Q CA 1.715 57.448 55.803 -0.116 0.000 0.846 474 Q CB -0.238 28.458 28.738 -0.071 0.000 0.902 474 Q HN 0.630 nan 8.270 nan 0.000 0.421 475 R N 0.387 120.777 120.500 -0.183 0.000 2.097 475 R HA -0.166 4.199 4.340 0.040 0.000 0.236 475 R C 2.409 178.426 176.300 -0.472 0.000 1.135 475 R CA 1.494 57.391 56.100 -0.339 0.000 0.934 475 R CB -0.524 29.646 30.300 -0.216 0.000 0.846 475 R HN 0.257 nan 8.270 nan 0.000 0.431 476 L N 0.170 121.213 121.223 -0.299 0.000 2.042 476 L HA -0.231 4.133 4.340 0.040 0.000 0.210 476 L C 2.589 179.418 176.870 -0.069 0.000 1.076 476 L CA 1.491 56.246 54.840 -0.141 0.000 0.749 476 L CB -0.408 41.404 42.059 -0.411 0.000 0.893 476 L HN 0.300 nan 8.230 nan 0.000 0.432 477 M N -0.980 118.525 119.600 -0.158 0.000 2.213 477 M HA -0.177 4.327 4.480 0.040 0.000 0.263 477 M C 2.270 178.578 176.300 0.014 0.000 1.062 477 M CA 1.415 56.661 55.300 -0.090 0.000 1.105 477 M CB -0.290 32.244 32.600 -0.110 0.000 1.385 477 M HN 0.077 nan 8.290 nan 0.000 0.417 478 K N -0.162 120.212 120.400 -0.043 0.000 2.062 478 K HA -0.098 4.246 4.320 0.040 0.000 0.205 478 K C 1.885 178.559 176.600 0.123 0.000 1.051 478 K CA 1.465 57.741 56.287 -0.018 0.000 0.941 478 K CB -0.152 32.276 32.500 -0.120 0.000 0.719 478 K HN 0.287 nan 8.250 nan 0.000 0.440 479 Y N -0.092 120.352 120.300 0.241 0.000 2.089 479 Y HA -0.229 4.345 4.550 0.040 0.000 0.282 479 Y C 2.455 178.517 175.900 0.270 0.000 1.139 479 Y CA 0.836 59.121 58.100 0.308 0.000 1.123 479 Y CB -0.974 37.817 38.460 0.552 0.000 0.980 479 Y HN 0.193 nan 8.280 nan 0.000 0.493 480 W N 0.687 122.083 121.300 0.160 0.000 2.335 480 W HA -0.258 4.425 4.660 0.039 0.000 0.311 480 W C 2.437 178.967 176.519 0.017 0.000 1.213 480 W CA 2.301 59.664 57.345 0.031 0.000 1.274 480 W CB -0.744 28.650 29.460 -0.110 0.000 1.148 480 W HN 0.227 nan 8.180 nan 0.000 0.498 481 T N -2.151 112.519 114.554 0.194 0.000 2.951 481 T HA -0.114 4.260 4.350 0.040 0.000 0.268 481 T C 1.399 176.132 174.700 0.055 0.000 1.073 481 T CA 1.039 63.184 62.100 0.075 0.000 1.134 481 T CB -0.564 68.330 68.868 0.043 0.000 0.884 481 T HN -0.031 nan 8.240 nan 0.000 0.479 482 N N 1.028 119.780 118.700 0.088 0.000 2.120 482 N HA -0.006 4.758 4.740 0.040 0.000 0.188 482 N C 1.404 176.910 175.510 -0.007 0.000 1.024 482 N CA 0.939 54.017 53.050 0.046 0.000 0.852 482 N CB -0.654 37.884 38.487 0.085 0.000 1.003 482 N HN 0.436 nan 8.380 nan 0.000 0.424 483 F N 1.820 121.690 119.950 -0.135 0.000 2.126 483 F HA -0.172 4.380 4.527 0.041 0.000 0.299 483 F C 2.200 177.915 175.800 -0.142 0.000 1.096 483 F CA 1.507 59.371 58.000 -0.227 0.000 1.255 483 F CB -0.399 38.373 39.000 -0.381 0.000 0.997 483 F HN 0.042 nan 8.300 nan 0.000 0.479 484 A N 0.366 123.117 122.820 -0.116 0.000 1.902 484 A HA -0.175 4.169 4.320 0.040 0.000 0.217 484 A C 2.350 179.834 177.584 -0.167 0.000 1.181 484 A CA 1.689 53.636 52.037 -0.150 0.000 0.623 484 A CB -0.718 18.260 19.000 -0.036 0.000 0.818 484 A HN 0.446 nan 8.150 nan 0.000 0.443 485 R N -1.112 119.319 120.500 -0.115 0.000 2.081 485 R HA -0.092 4.272 4.340 0.040 0.000 0.235 485 R C 2.025 178.247 176.300 -0.130 0.000 1.131 485 R CA 1.951 57.997 56.100 -0.089 0.000 0.960 485 R CB -0.201 30.070 30.300 -0.047 0.000 0.856 485 R HN 0.744 nan 8.270 nan 0.000 0.436 486 T N -6.091 108.353 114.554 -0.182 0.000 2.969 486 T HA 0.266 4.640 4.350 0.040 0.000 0.258 486 T C 1.187 175.748 174.700 -0.233 0.000 0.962 486 T CA 0.387 62.390 62.100 -0.162 0.000 0.903 486 T CB 1.431 70.240 68.868 -0.099 0.000 1.177 486 T HN 0.330 nan 8.240 nan 0.000 0.511 487 G N 1.225 109.751 108.800 -0.457 0.000 2.175 487 G HA2 -0.149 3.836 3.960 0.040 0.000 0.244 487 G HA3 -0.149 3.836 3.960 0.040 0.000 0.244 487 G C -0.362 174.360 174.900 -0.297 0.000 0.982 487 G CA 0.145 44.909 45.100 -0.560 0.000 0.641 487 G HN 0.797 nan 8.290 nan 0.000 0.527 488 D N -0.399 119.853 120.400 -0.248 0.000 2.736 488 D HA 0.470 5.135 4.640 0.040 0.000 0.243 488 D C -1.661 174.468 176.300 -0.285 0.000 1.304 488 D CA -1.596 52.241 54.000 -0.272 0.000 0.934 488 D CB 2.189 42.940 40.800 -0.081 0.000 1.382 488 D HN -0.004 nan 8.370 nan 0.000 0.571 489 P HA -0.006 nan 4.420 nan 0.000 0.237 489 P C 0.003 177.337 177.300 0.057 0.000 1.178 489 P CA 0.031 62.980 63.100 -0.252 0.000 0.766 489 P CB 0.341 31.615 31.700 -0.711 0.000 0.876 490 N N 1.528 120.226 118.700 -0.003 0.000 2.518 490 N HA 0.028 4.792 4.740 0.040 0.000 0.266 490 N C -0.073 175.522 175.510 0.141 0.000 1.196 490 N CA 0.318 53.464 53.050 0.160 0.000 0.947 490 N CB 0.462 39.031 38.487 0.137 0.000 1.098 490 N HN -0.034 nan 8.380 nan 0.000 0.450 491 D N 2.264 122.769 120.400 0.175 0.000 2.365 491 D HA 0.154 4.819 4.640 0.040 0.000 0.237 491 D C -1.245 175.107 176.300 0.087 0.000 1.190 491 D CA -1.935 52.134 54.000 0.115 0.000 0.867 491 D CB 1.102 41.968 40.800 0.109 0.000 1.050 491 D HN 0.284 nan 8.370 nan 0.000 0.491 492 P HA -0.188 nan 4.420 nan 0.000 0.213 492 P C 0.428 177.757 177.300 0.048 0.000 1.170 492 P CA 1.093 64.223 63.100 0.051 0.000 0.902 492 P CB -0.164 31.558 31.700 0.036 0.000 0.789 493 R N 1.274 121.799 120.500 0.041 0.000 2.540 493 R HA 0.227 4.591 4.340 0.040 0.000 0.317 493 R C 0.119 176.446 176.300 0.045 0.000 1.233 493 R CA 0.766 56.888 56.100 0.037 0.000 1.003 493 R CB -2.108 28.210 30.300 0.029 0.000 1.034 493 R HN 0.446 nan 8.270 nan 0.000 0.483 494 D N -0.553 119.876 120.400 0.049 0.000 3.109 494 D HA 0.031 4.695 4.640 0.040 0.000 0.266 494 D C -1.552 174.787 176.300 0.065 0.000 0.926 494 D CA 0.295 54.329 54.000 0.057 0.000 0.838 494 D CB 0.188 41.028 40.800 0.067 0.000 3.234 494 D HN 0.426 nan 8.370 nan 0.000 0.507 495 S N 1.779 117.517 115.700 0.062 0.000 2.550 495 S HA 0.630 5.124 4.470 0.040 0.000 0.270 495 S C -0.047 174.588 174.600 0.059 0.000 1.145 495 S CA -0.627 57.609 58.200 0.060 0.000 0.852 495 S CB 2.626 65.854 63.200 0.046 0.000 1.119 495 S HN 0.584 nan 8.310 nan 0.000 0.465 496 K N -0.405 120.030 120.400 0.059 0.000 3.571 496 K HA -0.154 4.190 4.320 0.040 0.000 0.275 496 K C 0.350 176.982 176.600 0.053 0.000 1.034 496 K CA 2.114 58.431 56.287 0.050 0.000 1.116 496 K CB -2.199 30.324 32.500 0.039 0.000 1.386 496 K HN 0.987 nan 8.250 nan 0.000 0.466 497 S N 0.862 116.600 115.700 0.064 0.000 2.060 497 S HA 0.563 5.057 4.470 0.040 0.000 0.156 497 S C -2.237 172.410 174.600 0.078 0.000 1.690 497 S CA -0.981 57.255 58.200 0.060 0.000 1.238 497 S CB 1.866 65.096 63.200 0.049 0.000 1.150 497 S HN 0.008 nan 8.310 nan 0.000 0.437 498 P HA 0.452 nan 4.420 nan 0.000 0.286 498 P C -0.524 176.849 177.300 0.120 0.000 1.292 498 P CA -0.788 62.358 63.100 0.078 0.000 0.842 498 P CB 0.623 32.353 31.700 0.049 0.000 1.207 499 Q N -0.441 119.438 119.800 0.132 0.000 2.340 499 Q HA 0.096 4.460 4.340 0.040 0.000 0.249 499 Q C -0.773 175.382 176.000 0.258 0.000 0.957 499 Q CA 0.073 55.991 55.803 0.192 0.000 0.882 499 Q CB 0.619 29.458 28.738 0.169 0.000 1.235 499 Q HN 0.511 nan 8.270 nan 0.000 0.439 500 W N 6.324 127.685 121.300 0.101 0.000 2.433 500 W HA 0.252 4.938 4.660 0.042 0.000 0.331 500 W C -2.358 174.294 176.519 0.222 0.000 1.110 500 W CA -2.540 54.877 57.345 0.120 0.000 1.450 500 W CB 0.203 29.690 29.460 0.045 0.000 1.348 500 W HN 0.366 nan 8.180 nan 0.000 0.415 501 P HA 0.197 nan 4.420 nan 0.000 0.278 501 P C -2.540 174.921 177.300 0.268 0.000 1.238 501 P CA -1.550 61.746 63.100 0.326 0.000 0.794 501 P CB 0.653 32.469 31.700 0.194 0.000 0.955 502 P HA -0.035 nan 4.420 nan 0.000 0.265 502 P C -0.425 176.839 177.300 -0.060 0.000 1.187 502 P CA 0.400 63.280 63.100 -0.368 0.000 0.766 502 P CB -0.015 31.478 31.700 -0.345 0.000 0.820 503 Y N 3.224 123.444 120.300 -0.132 0.000 2.425 503 Y HA 0.339 4.913 4.550 0.039 0.000 0.331 503 Y C 0.497 176.380 175.900 -0.028 0.000 1.157 503 Y CA 0.673 58.774 58.100 0.001 0.000 1.372 503 Y CB 0.377 38.861 38.460 0.040 0.000 1.253 503 Y HN 0.416 nan 8.280 nan 0.000 0.536 504 T N 0.199 114.441 114.554 -0.520 0.000 2.896 504 T HA 0.250 4.624 4.350 0.040 0.000 0.297 504 T C 0.785 175.238 174.700 -0.412 0.000 1.108 504 T CA -0.219 61.705 62.100 -0.292 0.000 1.004 504 T CB 1.228 70.000 68.868 -0.160 0.000 1.159 504 T HN 0.661 nan 8.240 nan 0.000 0.499 505 T N -0.410 114.059 114.554 -0.141 0.000 2.821 505 T HA 0.021 4.395 4.350 0.040 0.000 0.267 505 T C 2.228 176.879 174.700 -0.082 0.000 1.046 505 T CA 1.015 63.075 62.100 -0.067 0.000 1.139 505 T CB -0.816 68.066 68.868 0.023 0.000 0.871 505 T HN 0.893 nan 8.240 nan 0.000 0.454 506 A N 2.193 124.965 122.820 -0.080 0.000 1.828 506 A HA 0.398 4.742 4.320 0.040 0.000 0.215 506 A C 2.798 180.336 177.584 -0.076 0.000 1.203 506 A CA 1.877 53.880 52.037 -0.057 0.000 0.614 506 A CB -1.439 17.536 19.000 -0.042 0.000 0.844 506 A HN 0.731 nan 8.150 nan 0.000 0.445 507 A N -2.258 120.495 122.820 -0.112 0.000 2.021 507 A HA 0.162 4.506 4.320 0.040 0.000 0.216 507 A C 1.040 178.548 177.584 -0.125 0.000 1.163 507 A CA 1.060 53.041 52.037 -0.093 0.000 0.676 507 A CB -0.386 18.570 19.000 -0.073 0.000 0.818 507 A HN 0.630 nan 8.150 nan 0.000 0.453 508 Q N -0.489 119.126 119.800 -0.308 0.000 2.451 508 Q HA -0.208 4.156 4.340 0.040 0.000 0.305 508 Q C -0.857 175.127 176.000 -0.025 0.000 1.345 508 Q CA 0.668 56.224 55.803 -0.412 0.000 0.854 508 Q CB -1.759 26.933 28.738 -0.077 0.000 1.162 508 Q HN 0.845 nan 8.270 nan 0.000 0.440 509 Q N 0.617 120.394 119.800 -0.039 0.000 2.267 509 Q HA 0.496 4.860 4.340 0.040 0.000 0.255 509 Q C -0.418 175.826 176.000 0.406 0.000 0.923 509 Q CA -0.226 55.658 55.803 0.137 0.000 0.925 509 Q CB 0.650 29.426 28.738 0.062 0.000 1.195 509 Q HN 0.346 nan 8.270 nan 0.000 0.417 510 Y N -1.092 119.353 120.300 0.242 0.000 2.665 510 Y HA 0.774 5.347 4.550 0.039 0.000 0.336 510 Y C -0.773 175.168 175.900 0.069 0.000 1.085 510 Y CA -1.574 56.682 58.100 0.261 0.000 1.096 510 Y CB 0.595 39.204 38.460 0.249 0.000 1.301 510 Y HN 0.330 nan 8.280 nan 0.000 0.493 511 V N -0.467 119.437 119.914 -0.016 0.000 2.715 511 V HA 0.785 4.929 4.120 0.040 0.000 0.310 511 V C -0.237 175.814 176.094 -0.072 0.000 1.054 511 V CA -0.664 61.448 62.300 -0.313 0.000 0.928 511 V CB 1.211 32.524 31.823 -0.849 0.000 1.007 511 V HN 1.125 nan 8.190 nan 0.000 0.437 512 S N 4.241 119.887 115.700 -0.089 0.000 2.489 512 S HA 0.662 5.156 4.470 0.040 0.000 0.277 512 S C -0.432 174.146 174.600 -0.038 0.000 1.230 512 S CA -0.628 57.583 58.200 0.018 0.000 1.053 512 S CB 0.458 63.658 63.200 0.000 0.000 0.955 512 S HN 0.755 nan 8.310 nan 0.000 0.488 513 L N 4.333 125.583 121.223 0.045 0.000 2.262 513 L HA 0.509 4.874 4.340 0.040 0.000 0.288 513 L C -0.124 176.675 176.870 -0.118 0.000 1.035 513 L CA -0.392 54.496 54.840 0.081 0.000 0.820 513 L CB 0.042 42.251 42.059 0.250 0.000 1.204 513 L HN 0.958 nan 8.230 nan 0.000 0.424 514 N N 2.151 120.693 118.700 -0.264 0.000 3.449 514 N HA 0.316 5.080 4.740 0.040 0.000 0.312 514 N C 0.185 175.128 175.510 -0.944 0.000 1.582 514 N CA -0.942 51.676 53.050 -0.719 0.000 0.850 514 N CB 0.561 38.802 38.487 -0.410 0.000 1.822 514 N HN 0.167 nan 8.380 nan 0.000 0.577 515 L N -0.646 120.052 121.223 -0.876 0.000 2.093 515 L HA 0.097 4.461 4.340 0.040 0.000 0.208 515 L C 0.665 177.336 176.870 -0.331 0.000 1.085 515 L CA 0.955 55.392 54.840 -0.671 0.000 0.755 515 L CB -0.520 41.227 42.059 -0.519 0.000 0.904 515 L HN 0.388 nan 8.230 nan 0.000 0.435 516 K N 0.401 120.654 120.400 -0.245 0.000 2.336 516 K HA 0.125 4.469 4.320 0.040 0.000 0.262 516 K C -2.107 174.436 176.600 -0.096 0.000 0.992 516 K CA -1.571 54.634 56.287 -0.137 0.000 0.927 516 K CB -0.210 32.225 32.500 -0.108 0.000 0.956 516 K HN -0.153 nan 8.250 nan 0.000 0.495 517 P HA -0.035 nan 4.420 nan 0.000 0.271 517 P C -0.425 176.868 177.300 -0.012 0.000 1.244 517 P CA -0.208 62.890 63.100 -0.003 0.000 0.793 517 P CB 0.363 32.068 31.700 0.007 0.000 0.984 518 L N 0.826 122.058 121.223 0.015 0.000 2.640 518 L HA -0.072 4.293 4.340 0.040 0.000 0.280 518 L C 1.132 177.959 176.870 -0.071 0.000 1.229 518 L CA 0.825 55.634 54.840 -0.052 0.000 0.919 518 L CB -0.416 41.601 42.059 -0.070 0.000 1.168 518 L HN 0.462 nan 8.230 nan 0.000 0.496 519 E N 3.155 123.292 120.200 -0.106 0.000 2.166 519 E HA 0.379 4.753 4.350 0.040 0.000 0.275 519 E C -1.258 175.246 176.600 -0.159 0.000 0.941 519 E CA -0.796 55.542 56.400 -0.103 0.000 0.784 519 E CB 1.804 31.452 29.700 -0.086 0.000 1.115 519 E HN 0.305 nan 8.360 nan 0.000 0.399 520 V N 5.437 125.267 119.914 -0.139 0.000 2.406 520 V HA 0.378 4.522 4.120 0.040 0.000 0.272 520 V C 0.238 176.189 176.094 -0.238 0.000 1.043 520 V CA -0.263 61.931 62.300 -0.178 0.000 0.915 520 V CB 0.944 32.717 31.823 -0.083 0.000 0.988 520 V HN 0.674 nan 8.190 nan 0.000 0.466 521 R N 4.017 124.241 120.500 -0.461 0.000 2.873 521 R HA 0.746 5.110 4.340 0.040 0.000 0.264 521 R C -0.757 175.280 176.300 -0.439 0.000 1.026 521 R CA -1.011 54.779 56.100 -0.518 0.000 1.002 521 R CB 2.396 32.236 30.300 -0.766 0.000 1.174 521 R HN 0.581 nan 8.270 nan 0.000 0.488 522 R N 0.119 120.547 120.500 -0.121 0.000 2.534 522 R HA 0.484 4.848 4.340 0.040 0.000 0.301 522 R C -0.720 175.733 176.300 0.255 0.000 0.961 522 R CA -0.453 55.690 56.100 0.071 0.000 0.871 522 R CB 2.169 32.489 30.300 0.033 0.000 1.170 522 R HN 0.899 nan 8.270 nan 0.000 0.446 523 G N 2.166 111.182 108.800 0.361 0.000 3.285 523 G HA2 -0.210 3.775 3.960 0.040 0.000 0.685 523 G HA3 -0.210 3.775 3.960 0.040 0.000 0.685 523 G C -1.208 173.915 174.900 0.372 0.000 0.938 523 G CA -0.898 44.395 45.100 0.322 0.000 0.778 523 G HN 0.371 nan 8.290 nan 0.000 0.515 524 L N 4.359 125.706 121.223 0.207 0.000 2.353 524 L HA 0.583 4.948 4.340 0.040 0.000 0.269 524 L C 1.459 178.365 176.870 0.060 0.000 1.085 524 L CA -0.669 54.153 54.840 -0.030 0.000 0.938 524 L CB -0.122 41.842 42.059 -0.158 0.000 1.312 524 L HN 0.724 nan 8.230 nan 0.000 0.429 525 R N 2.540 123.105 120.500 0.109 0.000 3.416 525 R HA -0.269 4.095 4.340 0.040 0.000 0.263 525 R C 1.328 177.734 176.300 0.176 0.000 1.053 525 R CA 0.755 56.949 56.100 0.158 0.000 0.705 525 R CB -2.335 28.071 30.300 0.177 0.000 1.124 525 R HN 0.731 nan 8.270 nan 0.000 0.444 526 A N 0.597 123.515 122.820 0.165 0.000 1.892 526 A HA -0.271 4.073 4.320 0.040 0.000 0.218 526 A C 2.104 179.783 177.584 0.158 0.000 1.188 526 A CA 1.495 53.627 52.037 0.159 0.000 0.631 526 A CB -0.131 18.956 19.000 0.146 0.000 0.822 526 A HN 0.380 nan 8.150 nan 0.000 0.447 527 Q N -0.871 119.020 119.800 0.150 0.000 2.046 527 Q HA -0.104 4.260 4.340 0.040 0.000 0.200 527 Q C 2.260 178.379 176.000 0.198 0.000 0.975 527 Q CA 2.087 57.979 55.803 0.149 0.000 0.836 527 Q CB -1.183 27.627 28.738 0.120 0.000 0.896 527 Q HN 0.650 nan 8.270 nan 0.000 0.428 528 T N 0.333 115.032 114.554 0.241 0.000 2.867 528 T HA -0.096 4.278 4.350 0.040 0.000 0.268 528 T C 1.957 176.901 174.700 0.407 0.000 1.057 528 T CA 0.972 63.261 62.100 0.315 0.000 1.136 528 T CB -0.174 68.921 68.868 0.378 0.000 0.874 528 T HN 0.306 nan 8.240 nan 0.000 0.466 529 c N 1.406 120.219 118.600 0.354 0.000 2.464 529 c HA 0.288 4.882 4.570 0.040 0.000 0.278 529 c C 3.108 177.368 174.090 0.283 0.000 1.375 529 c CA -0.046 56.503 56.329 0.366 0.000 1.761 529 c CB -1.286 41.373 42.510 0.248 0.000 1.944 529 c HN 0.637 nan 8.230 nan 0.000 0.509 530 A N 0.408 123.360 122.820 0.220 0.000 1.940 530 A HA -0.232 4.112 4.320 0.040 0.000 0.219 530 A C 1.870 179.559 177.584 0.175 0.000 1.176 530 A CA 1.796 53.936 52.037 0.172 0.000 0.631 530 A CB -0.819 18.266 19.000 0.142 0.000 0.814 530 A HN 0.550 nan 8.150 nan 0.000 0.446 531 F N -0.885 119.062 119.950 -0.004 0.000 2.069 531 F HA -0.184 4.369 4.527 0.044 0.000 0.298 531 F C 1.976 177.725 175.800 -0.086 0.000 1.113 531 F CA 1.820 59.733 58.000 -0.145 0.000 1.214 531 F CB -0.623 38.048 39.000 -0.549 0.000 0.978 531 F HN 0.385 nan 8.300 nan 0.000 0.474 532 W N 0.403 121.662 121.300 -0.067 0.000 2.418 532 W HA -0.106 4.577 4.660 0.038 0.000 0.292 532 W C 2.106 178.574 176.519 -0.086 0.000 1.213 532 W CA 0.933 58.203 57.345 -0.125 0.000 1.283 532 W CB -0.450 29.072 29.460 0.104 0.000 1.119 532 W HN -0.032 nan 8.180 nan 0.000 0.542 533 N N -0.676 118.150 118.700 0.211 0.000 2.405 533 N HA 0.057 4.821 4.740 0.040 0.000 0.175 533 N C 1.474 177.024 175.510 0.066 0.000 1.051 533 N CA 0.769 53.895 53.050 0.128 0.000 0.899 533 N CB -0.104 38.458 38.487 0.126 0.000 1.000 533 N HN 0.218 nan 8.380 nan 0.000 0.451 534 R N -1.294 119.244 120.500 0.062 0.000 2.167 534 R HA 0.232 4.596 4.340 0.040 0.000 0.195 534 R C 1.360 177.691 176.300 0.052 0.000 1.027 534 R CA 0.035 56.172 56.100 0.061 0.000 1.114 534 R CB -0.129 30.228 30.300 0.095 0.000 1.075 534 R HN 0.039 nan 8.270 nan 0.000 0.538 535 F N 1.512 121.380 119.950 -0.137 0.000 2.179 535 F HA 0.040 4.591 4.527 0.041 0.000 0.292 535 F C 1.953 177.599 175.800 -0.256 0.000 1.089 535 F CA 0.852 58.748 58.000 -0.172 0.000 1.295 535 F CB -0.191 38.723 39.000 -0.143 0.000 1.041 535 F HN -0.125 nan 8.300 nan 0.000 0.487 536 L N 1.157 122.073 121.223 -0.512 0.000 2.042 536 L HA -0.143 4.222 4.340 0.040 0.000 0.210 536 L C -0.531 176.117 176.870 -0.370 0.000 1.076 536 L CA 2.187 56.677 54.840 -0.583 0.000 0.749 536 L CB -2.196 39.511 42.059 -0.588 0.000 0.893 536 L HN 0.089 nan 8.230 nan 0.000 0.432 537 P HA -0.195 nan 4.420 nan 0.000 0.215 537 P C 1.498 178.678 177.300 -0.200 0.000 1.157 537 P CA 1.572 64.581 63.100 -0.152 0.000 0.874 537 P CB -0.035 31.613 31.700 -0.087 0.000 0.790 538 K N -1.188 119.053 120.400 -0.266 0.000 2.103 538 K HA -0.149 4.195 4.320 0.040 0.000 0.207 538 K C 1.962 178.363 176.600 -0.332 0.000 1.048 538 K CA 0.975 57.102 56.287 -0.267 0.000 0.930 538 K CB -0.842 31.506 32.500 -0.254 0.000 0.716 538 K HN 0.047 nan 8.250 nan 0.000 0.444 539 L N 1.590 122.495 121.223 -0.531 0.000 1.948 539 L HA -0.172 4.192 4.340 0.040 0.000 0.212 539 L C 2.034 178.770 176.870 -0.222 0.000 1.074 539 L CA 1.564 56.147 54.840 -0.428 0.000 0.753 539 L CB -0.776 40.964 42.059 -0.532 0.000 0.888 539 L HN 0.134 nan 8.230 nan 0.000 0.432 540 L N -0.383 120.722 121.223 -0.196 0.000 2.021 540 L HA -0.224 4.140 4.340 0.040 0.000 0.215 540 L C 1.409 178.223 176.870 -0.092 0.000 1.074 540 L CA 1.452 56.223 54.840 -0.114 0.000 0.760 540 L CB -0.937 41.068 42.059 -0.090 0.000 0.889 540 L HN 0.513 nan 8.230 nan 0.000 0.433 541 S N 0.238 115.876 115.700 -0.104 0.000 3.065 541 S HA 0.508 5.003 4.470 0.040 0.000 0.311 541 S C 0.418 174.973 174.600 -0.074 0.000 1.204 541 S CA -0.069 58.085 58.200 -0.077 0.000 1.040 541 S CB 0.366 63.524 63.200 -0.071 0.000 1.436 541 S HN 0.468 nan 8.310 nan 0.000 0.532 542 A N 1.823 124.608 122.820 -0.059 0.000 5.099 542 A HA 0.070 4.414 4.320 0.040 0.000 0.124 542 A C 0.397 177.951 177.584 -0.049 0.000 1.230 542 A CA -0.404 51.604 52.037 -0.049 0.000 1.107 542 A CB -2.736 16.232 19.000 -0.053 0.000 0.665 542 A HN 1.462 nan 8.150 nan 0.000 0.540 543 T N -0.297 114.231 114.554 -0.043 0.000 2.187 543 T HA 0.350 4.725 4.350 0.040 0.000 0.562 543 T C 0.540 175.216 174.700 -0.040 0.000 1.028 543 T CA 1.978 64.055 62.100 -0.038 0.000 3.580 543 T CB -0.975 67.878 68.868 -0.024 0.000 1.059 543 T HN 2.436 nan 8.240 nan 0.000 0.281 544 A N 0.000 122.788 122.820 -0.053 0.000 2.254 544 A HA 0.000 4.344 4.320 0.040 0.000 0.244 544 A CA 0.000 nan 52.037 nan 0.000 0.836 544 A CB 0.000 19.024 19.000 0.040 0.000 0.831 544 A HN 0.000 nan 8.150 nan 0.000 0.486