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 2jgg_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 PMSVTLFGEX 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 0.000 176.620 176.600 0.033 0.000 1.382 4 E CA 0.000 56.414 56.400 0.023 0.000 0.976 4 E CB 0.000 29.714 29.700 0.023 0.000 0.812 5 D N 5.060 125.486 120.400 0.044 0.000 2.346 5 D HA 0.128 4.793 4.640 0.042 0.000 0.260 5 D C -1.590 174.748 176.300 0.065 0.000 1.252 5 D CA -1.935 52.105 54.000 0.068 0.000 0.895 5 D CB 1.454 42.318 40.800 0.105 0.000 1.097 5 D HN 0.235 nan 8.370 nan 0.000 0.489 6 P HA -0.068 nan 4.420 nan 0.000 0.230 6 P C 1.093 178.412 177.300 0.033 0.000 1.158 6 P CA 0.515 63.634 63.100 0.033 0.000 0.769 6 P CB 0.375 32.083 31.700 0.013 0.000 0.807 7 Q N -0.711 119.104 119.800 0.024 0.000 2.297 7 Q HA 0.045 4.410 4.340 0.042 0.000 0.204 7 Q C 1.614 177.695 176.000 0.136 0.000 0.962 7 Q CA 0.964 56.768 55.803 0.001 0.000 0.879 7 Q CB -0.326 28.286 28.738 -0.210 0.000 0.947 7 Q HN 0.390 nan 8.270 nan 0.000 0.462 8 L N -0.170 121.137 121.223 0.140 0.000 2.667 8 L HA 0.237 4.602 4.340 0.042 0.000 0.232 8 L C 0.304 177.301 176.870 0.211 0.000 1.138 8 L CA -0.111 54.808 54.840 0.133 0.000 0.921 8 L CB 0.364 42.433 42.059 0.017 0.000 1.180 8 L HN -0.031 nan 8.230 nan 0.000 0.487 9 L N 0.786 122.116 121.223 0.177 0.000 2.282 9 L HA 0.533 4.898 4.340 0.042 0.000 0.288 9 L C -0.788 176.143 176.870 0.101 0.000 1.033 9 L CA -0.432 54.499 54.840 0.151 0.000 0.807 9 L CB 2.186 44.294 42.059 0.082 0.000 1.209 9 L HN -0.213 nan 8.230 nan 0.000 0.423 10 V N 3.901 123.856 119.914 0.068 0.000 2.841 10 V HA 0.443 4.588 4.120 0.042 0.000 0.310 10 V C -0.387 175.653 176.094 -0.090 0.000 1.090 10 V CA -0.767 61.433 62.300 -0.167 0.000 0.930 10 V CB 2.528 33.987 31.823 -0.607 0.000 1.014 10 V HN 0.686 nan 8.190 nan 0.000 0.425 11 R N 3.368 123.784 120.500 -0.139 0.000 2.247 11 R HA 0.653 5.018 4.340 0.042 0.000 0.329 11 R C -0.496 175.731 176.300 -0.122 0.000 1.014 11 R CA -0.320 55.733 56.100 -0.079 0.000 0.907 11 R CB 1.255 31.512 30.300 -0.071 0.000 1.146 11 R HN 0.717 nan 8.270 nan 0.000 0.499 12 V N 1.607 121.497 119.914 -0.041 0.000 3.369 12 V HA 0.357 4.502 4.120 0.042 0.000 0.309 12 V C 1.405 177.435 176.094 -0.108 0.000 1.069 12 V CA -0.653 61.620 62.300 -0.045 0.000 1.042 12 V CB 1.207 33.148 31.823 0.197 0.000 1.192 12 V HN 0.775 nan 8.190 nan 0.000 0.447 13 R N 0.770 121.184 120.500 -0.143 0.000 2.159 13 R HA -0.044 4.322 4.340 0.042 0.000 0.237 13 R C 1.886 178.046 176.300 -0.234 0.000 1.131 13 R CA 1.524 57.527 56.100 -0.162 0.000 0.982 13 R CB -0.575 29.640 30.300 -0.141 0.000 0.868 13 R HN 0.982 nan 8.270 nan 0.000 0.453 14 G N -0.950 107.636 108.800 -0.356 0.000 3.020 14 G HA2 0.346 4.331 3.960 0.042 0.000 0.217 14 G HA3 0.346 4.331 3.960 0.042 0.000 0.217 14 G C 0.353 174.352 174.900 -1.502 0.000 1.144 14 G CA 0.484 45.119 45.100 -0.775 0.000 0.760 14 G HN 0.540 nan 8.290 nan 0.000 0.548 15 G N -0.743 107.484 108.800 -0.955 0.000 2.332 15 G HA2 0.182 4.167 3.960 0.042 0.000 0.265 15 G HA3 0.182 4.167 3.960 0.042 0.000 0.265 15 G C -1.493 173.410 174.900 0.004 0.000 1.329 15 G CA -0.900 43.786 45.100 -0.691 0.000 0.949 15 G HN 0.230 nan 8.290 nan 0.000 0.476 16 Q N -0.284 119.711 119.800 0.325 0.000 2.266 16 Q HA 0.727 5.092 4.340 0.042 0.000 0.261 16 Q C -0.730 175.551 176.000 0.468 0.000 0.985 16 Q CA -0.538 55.462 55.803 0.327 0.000 0.873 16 Q CB 2.463 31.319 28.738 0.195 0.000 1.306 16 Q HN 0.471 nan 8.270 nan 0.000 0.447 17 L N 1.347 122.771 121.223 0.336 0.000 2.370 17 L HA 0.634 4.999 4.340 0.042 0.000 0.266 17 L C -0.435 176.602 176.870 0.277 0.000 1.002 17 L CA -0.842 54.194 54.840 0.326 0.000 0.818 17 L CB 2.307 44.621 42.059 0.425 0.000 1.325 17 L HN 0.458 nan 8.230 nan 0.000 0.418 18 R N 0.830 121.453 120.500 0.206 0.000 2.409 18 R HA 0.630 4.995 4.340 0.042 0.000 0.313 18 R C -0.299 176.027 176.300 0.042 0.000 0.953 18 R CA -0.349 55.832 56.100 0.134 0.000 0.849 18 R CB 1.656 31.992 30.300 0.060 0.000 1.171 18 R HN 0.790 nan 8.270 nan 0.000 0.458 19 G N 3.431 112.163 108.800 -0.114 0.000 2.543 19 G HA2 0.400 4.385 3.960 0.042 0.000 0.290 19 G HA3 0.400 4.385 3.960 0.042 0.000 0.290 19 G C -0.821 173.861 174.900 -0.363 0.000 1.310 19 G CA -0.780 43.991 45.100 -0.549 0.000 1.025 19 G HN 0.628 nan 8.290 nan 0.000 0.502 20 I N -1.320 119.009 120.570 -0.402 0.000 2.846 20 I HA 0.630 4.825 4.170 0.042 0.000 0.307 20 I C -0.139 175.835 176.117 -0.238 0.000 1.053 20 I CA -1.350 59.796 61.300 -0.257 0.000 1.050 20 I CB 2.129 39.990 38.000 -0.231 0.000 1.239 20 I HN 0.450 nan 8.210 nan 0.000 0.439 21 R N 6.658 127.052 120.500 -0.175 0.000 2.229 21 R HA 0.583 4.949 4.340 0.042 0.000 0.328 21 R C -1.647 174.548 176.300 -0.175 0.000 1.009 21 R CA -0.443 55.541 56.100 -0.193 0.000 0.864 21 R CB 0.793 30.928 30.300 -0.274 0.000 1.085 21 R HN 0.656 nan 8.270 nan 0.000 0.453 22 L N 3.263 124.403 121.223 -0.139 0.000 2.322 22 L HA 0.484 4.849 4.340 0.042 0.000 0.269 22 L C -0.505 176.303 176.870 -0.103 0.000 1.012 22 L CA -1.181 53.599 54.840 -0.100 0.000 0.815 22 L CB 1.870 43.906 42.059 -0.039 0.000 1.295 22 L HN 0.531 nan 8.230 nan 0.000 0.438 23 K N 1.797 122.143 120.400 -0.090 0.000 2.293 23 K HA 0.701 5.046 4.320 0.042 0.000 0.267 23 K C -1.012 175.545 176.600 -0.072 0.000 1.010 23 K CA -0.197 56.043 56.287 -0.079 0.000 0.875 23 K CB 1.639 34.099 32.500 -0.067 0.000 1.106 23 K HN 0.591 nan 8.250 nan 0.000 0.450 24 A N 5.116 127.903 122.820 -0.055 0.000 2.330 24 A HA 0.575 4.920 4.320 0.042 0.000 0.329 24 A C -1.967 175.645 177.584 0.045 0.000 1.135 24 A CA -1.946 50.073 52.037 -0.030 0.000 0.817 24 A CB 0.823 19.796 19.000 -0.044 0.000 1.269 24 A HN 0.718 nan 8.150 nan 0.000 0.469 25 P HA -0.066 nan 4.420 nan 0.000 0.216 25 P C 1.044 178.379 177.300 0.059 0.000 1.150 25 P CA 1.947 65.103 63.100 0.092 0.000 0.837 25 P CB 0.271 32.042 31.700 0.117 0.000 0.786 26 G N -1.967 106.872 108.800 0.066 0.000 3.690 26 G HA2 0.521 4.506 3.960 0.042 0.000 0.283 26 G HA3 0.521 4.506 3.960 0.042 0.000 0.283 26 G C 0.246 175.172 174.900 0.043 0.000 1.057 26 G CA 0.247 45.376 45.100 0.048 0.000 0.821 26 G HN 0.537 nan 8.290 nan 0.000 0.526 27 G N -0.301 108.520 108.800 0.034 0.000 2.336 27 G HA2 0.448 4.434 3.960 0.042 0.000 0.300 27 G HA3 0.448 4.434 3.960 0.042 0.000 0.300 27 G C -3.581 171.320 174.900 0.002 0.000 1.375 27 G CA -0.770 44.347 45.100 0.029 0.000 0.885 27 G HN 0.040 nan 8.290 nan 0.000 0.599 28 P HA 0.648 nan 4.420 nan 0.000 0.282 28 P C -0.402 176.912 177.300 0.023 0.000 1.259 28 P CA -0.745 62.294 63.100 -0.102 0.000 0.826 28 P CB 1.772 33.264 31.700 -0.347 0.000 1.064 29 V N -2.134 117.788 119.914 0.013 0.000 2.925 29 V HA 0.639 4.784 4.120 0.042 0.000 0.311 29 V C -0.552 175.633 176.094 0.151 0.000 1.104 29 V CA -0.904 61.493 62.300 0.161 0.000 0.954 29 V CB 1.795 33.720 31.823 0.171 0.000 1.022 29 V HN 0.409 nan 8.190 nan 0.000 0.427 30 S N 2.140 118.002 115.700 0.270 0.000 2.452 30 S HA 0.797 5.292 4.470 0.042 0.000 0.284 30 S C 0.182 174.784 174.600 0.004 0.000 1.171 30 S CA -0.015 58.267 58.200 0.137 0.000 1.064 30 S CB 1.109 64.485 63.200 0.294 0.000 0.967 30 S HN 1.522 nan 8.310 nan 0.000 0.484 31 A N 2.925 125.575 122.820 -0.283 0.000 2.317 31 A HA 0.806 5.151 4.320 0.042 0.000 0.327 31 A C -0.931 176.247 177.584 -0.676 0.000 1.178 31 A CA -0.663 51.098 52.037 -0.459 0.000 0.817 31 A CB 0.260 18.937 19.000 -0.539 0.000 1.189 31 A HN 0.690 nan 8.150 nan 0.000 0.489 32 F N 2.596 122.369 119.950 -0.295 0.000 2.443 32 F HA 0.433 4.985 4.527 0.042 0.000 0.369 32 F C -0.312 175.304 175.800 -0.308 0.000 1.090 32 F CA -0.306 57.599 58.000 -0.158 0.000 1.129 32 F CB 1.061 40.129 39.000 0.113 0.000 1.367 32 F HN 0.321 nan 8.300 nan 0.000 0.465 33 L N 2.000 123.067 121.223 -0.259 0.000 2.317 33 L HA 0.767 5.132 4.340 0.042 0.000 0.281 33 L C 0.931 177.699 176.870 -0.169 0.000 1.024 33 L CA -0.913 53.727 54.840 -0.332 0.000 0.810 33 L CB 1.639 43.299 42.059 -0.665 0.000 1.240 33 L HN 0.800 nan 8.230 nan 0.000 0.427 34 G N 2.869 111.628 108.800 -0.068 0.000 2.149 34 G HA2 -0.232 3.753 3.960 0.042 0.000 0.235 34 G HA3 -0.232 3.753 3.960 0.042 0.000 0.235 34 G C -0.131 174.766 174.900 -0.004 0.000 1.018 34 G CA -0.480 44.555 45.100 -0.108 0.000 0.728 34 G HN 0.487 nan 8.290 nan 0.000 0.508 35 I N 2.252 122.859 120.570 0.062 0.000 2.452 35 I HA 0.271 4.466 4.170 0.042 0.000 0.287 35 I C -1.516 174.693 176.117 0.154 0.000 1.079 35 I CA -2.046 59.290 61.300 0.060 0.000 1.387 35 I CB 0.874 38.856 38.000 -0.030 0.000 1.404 35 I HN -0.053 nan 8.210 nan 0.000 0.522 36 P HA 0.089 nan 4.420 nan 0.000 0.281 36 P C -0.279 176.994 177.300 -0.046 0.000 1.252 36 P CA -0.088 62.960 63.100 -0.087 0.000 0.778 36 P CB 0.591 32.241 31.700 -0.084 0.000 0.895 37 F N 0.886 120.702 119.950 -0.222 0.000 2.746 37 F HA 0.744 5.296 4.527 0.042 0.000 0.320 37 F C -0.085 175.716 175.800 0.001 0.000 1.097 37 F CA -0.815 57.115 58.000 -0.117 0.000 1.195 37 F CB 0.188 39.001 39.000 -0.310 0.000 1.056 37 F HN 0.325 nan 8.300 nan 0.000 0.562 38 A N 0.246 122.767 122.820 -0.499 0.000 2.549 38 A HA 0.562 4.907 4.320 0.042 0.000 0.297 38 A C -0.778 176.632 177.584 -0.289 0.000 1.061 38 A CA -0.753 51.088 52.037 -0.325 0.000 0.690 38 A CB 0.964 19.696 19.000 -0.447 0.000 1.287 38 A HN 0.070 nan 8.150 nan 0.000 0.402 39 E N 1.430 121.550 120.200 -0.133 0.000 2.529 39 E HA 0.106 4.481 4.350 0.042 0.000 0.259 39 E C -2.262 174.235 176.600 -0.171 0.000 0.966 39 E CA -0.840 55.495 56.400 -0.107 0.000 0.937 39 E CB -0.197 29.477 29.700 -0.044 0.000 0.923 39 E HN 0.254 nan 8.360 nan 0.000 0.468 40 P HA 0.003 nan 4.420 nan 0.000 0.260 40 P C -2.187 175.036 177.300 -0.128 0.000 1.185 40 P CA -0.736 62.263 63.100 -0.168 0.000 0.763 40 P CB 0.021 31.658 31.700 -0.105 0.000 0.776 41 P HA 0.012 nan 4.420 nan 0.000 0.225 41 P C -0.369 176.863 177.300 -0.113 0.000 1.768 41 P CA 0.103 63.136 63.100 -0.111 0.000 0.943 41 P CB -0.141 31.495 31.700 -0.107 0.000 1.936 42 V N -2.911 116.943 119.914 -0.100 0.000 2.994 42 V HA 0.886 5.031 4.120 0.042 0.000 0.318 42 V C 1.089 177.132 176.094 -0.085 0.000 1.085 42 V CA 0.080 62.320 62.300 -0.101 0.000 0.998 42 V CB 0.797 32.570 31.823 -0.084 0.000 1.063 42 V HN 0.522 nan 8.190 nan 0.000 0.447 43 G N 2.334 111.082 108.800 -0.087 0.000 2.620 43 G HA2 -0.390 3.595 3.960 0.042 0.000 0.315 43 G HA3 -0.390 3.595 3.960 0.042 0.000 0.315 43 G C 1.373 176.235 174.900 -0.064 0.000 1.179 43 G CA 1.817 46.878 45.100 -0.064 0.000 0.971 43 G HN 2.298 nan 8.290 nan 0.000 0.544 44 S N 0.447 116.124 115.700 -0.039 0.000 2.481 44 S HA 0.055 4.550 4.470 0.042 0.000 0.231 44 S C 2.075 176.660 174.600 -0.026 0.000 0.996 44 S CA 1.619 59.807 58.200 -0.021 0.000 0.942 44 S CB -0.102 63.094 63.200 -0.006 0.000 0.768 44 S HN 0.567 nan 8.310 nan 0.000 0.520 45 R N 1.090 121.561 120.500 -0.048 0.000 2.276 45 R HA 0.225 4.590 4.340 0.042 0.000 0.196 45 R C 0.920 177.168 176.300 -0.086 0.000 0.961 45 R CA -0.085 55.987 56.100 -0.047 0.000 1.024 45 R CB -0.512 29.759 30.300 -0.048 0.000 0.940 45 R HN 0.511 nan 8.270 nan 0.000 0.480 46 R N 0.743 121.140 120.500 -0.172 0.000 2.583 46 R HA -0.170 4.195 4.340 0.042 0.000 0.274 46 R C -0.165 175.918 176.300 -0.362 0.000 0.998 46 R CA 0.605 56.470 56.100 -0.391 0.000 1.081 46 R CB 0.054 29.984 30.300 -0.616 0.000 0.940 46 R HN 0.093 nan 8.270 nan 0.000 0.413 47 F N -0.815 119.139 119.950 0.007 0.000 2.825 47 F HA -0.329 4.223 4.527 0.042 0.000 0.358 47 F C 0.112 175.894 175.800 -0.029 0.000 0.639 47 F CA 0.781 58.762 58.000 -0.032 0.000 1.153 47 F CB -1.744 37.226 39.000 -0.050 0.000 1.610 47 F HN 0.453 nan 8.300 nan 0.000 0.305 48 M N 0.679 120.337 119.600 0.097 0.000 2.528 48 M HA 0.443 4.948 4.480 0.042 0.000 0.318 48 M C -2.076 174.246 176.300 0.038 0.000 1.195 48 M CA -1.582 53.758 55.300 0.066 0.000 1.000 48 M CB 0.882 33.511 32.600 0.047 0.000 1.615 48 M HN -0.393 nan 8.290 nan 0.000 0.469 49 P HA 0.059 nan 4.420 nan 0.000 0.265 49 P C -2.404 174.919 177.300 0.039 0.000 1.187 49 P CA -0.428 62.700 63.100 0.047 0.000 0.766 49 P CB -0.508 31.229 31.700 0.062 0.000 0.820 50 P HA 0.142 nan 4.420 nan 0.000 0.272 50 P C -0.660 176.669 177.300 0.049 0.000 1.230 50 P CA 0.119 63.238 63.100 0.031 0.000 0.788 50 P CB 0.934 32.673 31.700 0.065 0.000 0.949 51 E N 1.712 121.928 120.200 0.027 0.000 2.256 51 E HA 0.427 4.802 4.350 0.042 0.000 0.267 51 E C -2.450 174.187 176.600 0.061 0.000 0.892 51 E CA -2.528 53.901 56.400 0.049 0.000 0.775 51 E CB 0.729 30.449 29.700 0.033 0.000 1.207 51 E HN 0.313 nan 8.360 nan 0.000 0.420 52 P HA -0.081 nan 4.420 nan 0.000 0.264 52 P C -0.669 176.701 177.300 0.115 0.000 1.183 52 P CA -0.072 63.112 63.100 0.140 0.000 0.763 52 P CB 0.377 32.160 31.700 0.139 0.000 0.807 53 K N 3.982 124.472 120.400 0.149 0.000 2.448 53 K HA 0.015 4.360 4.320 0.042 0.000 0.278 53 K C 0.008 176.720 176.600 0.186 0.000 1.009 53 K CA 0.406 56.787 56.287 0.156 0.000 0.995 53 K CB 0.228 32.866 32.500 0.228 0.000 0.917 53 K HN 0.273 nan 8.250 nan 0.000 0.481 54 R N 4.861 125.455 120.500 0.158 0.000 2.594 54 R HA 0.198 4.564 4.340 0.042 0.000 0.272 54 R C -1.989 174.420 176.300 0.180 0.000 1.074 54 R CA -1.705 54.473 56.100 0.130 0.000 1.105 54 R CB 0.122 30.480 30.300 0.098 0.000 1.008 54 R HN 0.598 nan 8.270 nan 0.000 0.472 55 P HA -0.087 nan 4.420 nan 0.000 0.269 55 P C -1.206 176.120 177.300 0.042 0.000 1.211 55 P CA 0.125 63.139 63.100 -0.144 0.000 0.781 55 P CB 0.308 31.895 31.700 -0.188 0.000 0.877 56 W N -0.032 121.306 121.300 0.063 0.000 2.902 56 W HA 0.697 5.382 4.660 0.042 0.000 0.346 56 W C -0.886 175.662 176.519 0.047 0.000 1.139 56 W CA -1.033 56.346 57.345 0.056 0.000 1.139 56 W CB 0.067 29.569 29.460 0.069 0.000 1.439 56 W HN 0.381 nan 8.180 nan 0.000 0.558 57 S N 1.221 117.107 115.700 0.311 0.000 2.608 57 S HA 0.818 5.313 4.470 0.042 0.000 0.291 57 S C 0.543 175.289 174.600 0.243 0.000 1.146 57 S CA 0.061 58.372 58.200 0.184 0.000 1.043 57 S CB 0.970 64.242 63.200 0.120 0.000 1.037 57 S HN 2.220 nan 8.310 nan 0.000 0.520 58 G N 0.667 109.565 108.800 0.164 0.000 2.564 58 G HA2 -0.190 3.795 3.960 0.042 0.000 0.273 58 G HA3 -0.190 3.795 3.960 0.042 0.000 0.273 58 G C -0.593 174.444 174.900 0.228 0.000 1.242 58 G CA -0.118 45.075 45.100 0.154 0.000 0.951 58 G HN 1.698 nan 8.290 nan 0.000 0.564 59 V N 0.780 120.802 119.914 0.179 0.000 2.334 59 V HA 0.532 4.678 4.120 0.042 0.000 0.281 59 V C 0.389 176.557 176.094 0.122 0.000 1.016 59 V CA -0.404 62.005 62.300 0.180 0.000 0.832 59 V CB 1.234 33.126 31.823 0.114 0.000 0.999 59 V HN 0.826 nan 8.190 nan 0.000 0.439 60 L N 4.583 125.870 121.223 0.108 0.000 2.361 60 L HA 0.357 4.722 4.340 0.042 0.000 0.278 60 L C 0.328 177.166 176.870 -0.054 0.000 1.113 60 L CA 0.238 55.007 54.840 -0.119 0.000 0.849 60 L CB 0.763 42.504 42.059 -0.530 0.000 1.155 60 L HN 0.774 nan 8.230 nan 0.000 0.452 61 D N 4.474 124.829 120.400 -0.074 0.000 2.401 61 D HA 0.365 5.030 4.640 0.042 0.000 0.254 61 D C -0.153 176.093 176.300 -0.089 0.000 1.192 61 D CA 0.573 54.535 54.000 -0.064 0.000 0.885 61 D CB 0.909 41.663 40.800 -0.076 0.000 1.147 61 D HN 0.677 nan 8.370 nan 0.000 0.478 62 A N 3.196 125.981 122.820 -0.057 0.000 3.129 62 A HA 0.294 4.639 4.320 0.042 0.000 0.282 62 A C 0.682 178.186 177.584 -0.134 0.000 0.948 62 A CA -0.236 51.764 52.037 -0.061 0.000 1.027 62 A CB -0.099 18.951 19.000 0.083 0.000 1.123 62 A HN 0.578 nan 8.150 nan 0.000 0.485 63 T N -3.948 110.500 114.554 -0.176 0.000 3.040 63 T HA 0.362 4.737 4.350 0.042 0.000 0.266 63 T C 0.395 174.932 174.700 -0.271 0.000 1.005 63 T CA 0.467 62.430 62.100 -0.228 0.000 0.906 63 T CB 0.308 69.071 68.868 -0.175 0.000 1.082 63 T HN 0.342 nan 8.240 nan 0.000 0.531 64 T N 0.794 115.186 114.554 -0.270 0.000 2.916 64 T HA 0.598 4.974 4.350 0.042 0.000 0.305 64 T C -1.522 173.027 174.700 -0.252 0.000 1.119 64 T CA -0.704 61.238 62.100 -0.263 0.000 1.008 64 T CB 0.736 69.506 68.868 -0.163 0.000 1.129 64 T HN 0.088 nan 8.240 nan 0.000 0.480 65 F N 3.136 123.009 119.950 -0.128 0.000 2.518 65 F HA 0.330 4.882 4.527 0.042 0.000 0.359 65 F C 1.401 177.096 175.800 -0.175 0.000 1.118 65 F CA -0.097 57.829 58.000 -0.124 0.000 1.287 65 F CB 0.622 39.579 39.000 -0.071 0.000 1.132 65 F HN 0.427 nan 8.300 nan 0.000 0.587 66 Q N 1.526 121.337 119.800 0.017 0.000 2.247 66 Q HA 0.182 4.547 4.340 0.042 0.000 0.184 66 Q C -0.058 175.885 176.000 -0.095 0.000 1.067 66 Q CA -0.574 55.093 55.803 -0.227 0.000 1.115 66 Q CB 0.453 28.764 28.738 -0.711 0.000 1.147 66 Q HN 0.529 nan 8.270 nan 0.000 0.599 67 N N -0.314 118.320 118.700 -0.111 0.000 2.381 67 N HA 0.033 4.798 4.740 0.042 0.000 0.241 67 N C -0.594 174.910 175.510 -0.011 0.000 1.279 67 N CA 0.080 53.105 53.050 -0.041 0.000 0.896 67 N CB 0.432 38.908 38.487 -0.017 0.000 1.118 67 N HN 0.162 nan 8.380 nan 0.000 0.438 68 V N 1.579 121.458 119.914 -0.058 0.000 2.498 68 V HA 0.077 4.222 4.120 0.042 0.000 0.279 68 V C 0.643 176.692 176.094 -0.074 0.000 1.048 68 V CA -0.844 61.404 62.300 -0.086 0.000 0.967 68 V CB 0.874 32.608 31.823 -0.149 0.000 0.988 68 V HN 0.710 nan 8.190 nan 0.000 0.473 69 c N 4.668 123.241 118.600 -0.045 0.000 2.597 69 c HA 0.017 4.612 4.570 0.042 0.000 0.412 69 c C 0.577 174.619 174.090 -0.080 0.000 1.348 69 c CA -0.421 55.885 56.329 -0.040 0.000 1.769 69 c CB -1.088 41.425 42.510 0.005 0.000 2.641 69 c HN 0.762 nan 8.230 nan 0.000 0.612 70 Y N 4.347 124.492 120.300 -0.258 0.000 2.650 70 Y HA 0.244 4.820 4.550 0.042 0.000 0.331 70 Y C 0.706 176.570 175.900 -0.061 0.000 1.165 70 Y CA 0.973 58.895 58.100 -0.296 0.000 1.473 70 Y CB 0.074 38.118 38.460 -0.693 0.000 1.224 70 Y HN 0.751 nan 8.280 nan 0.000 0.533 71 Q N 4.888 124.596 119.800 -0.153 0.000 2.522 71 Q HA 0.203 4.569 4.340 0.042 0.000 0.285 71 Q C -1.748 174.349 176.000 0.161 0.000 0.982 71 Q CA -1.184 54.720 55.803 0.168 0.000 0.805 71 Q CB 1.117 29.934 28.738 0.131 0.000 1.457 71 Q HN 0.692 nan 8.270 nan 0.000 0.394 72 Y N 1.419 121.878 120.300 0.265 0.000 2.811 72 Y HA 0.253 4.828 4.550 0.042 0.000 0.334 72 Y C -0.968 175.086 175.900 0.257 0.000 1.247 72 Y CA 0.456 58.736 58.100 0.299 0.000 1.526 72 Y CB 0.732 39.462 38.460 0.449 0.000 1.284 72 Y HN 0.423 nan 8.280 nan 0.000 0.586 73 V N 6.656 126.213 119.914 -0.595 0.000 2.417 73 V HA 0.119 4.264 4.120 0.042 0.000 0.291 73 V C -0.428 175.232 176.094 -0.724 0.000 1.024 73 V CA -1.087 60.949 62.300 -0.440 0.000 0.861 73 V CB 1.529 33.203 31.823 -0.249 0.000 0.985 73 V HN 0.786 nan 8.190 nan 0.000 0.436 74 D N 3.059 123.325 120.400 -0.223 0.000 2.424 74 D HA 0.257 4.922 4.640 0.042 0.000 0.244 74 D C 0.903 177.213 176.300 0.017 0.000 1.134 74 D CA 0.646 54.669 54.000 0.038 0.000 0.881 74 D CB 1.125 42.129 40.800 0.339 0.000 1.191 74 D HN 0.807 nan 8.370 nan 0.000 0.445 75 T N 1.115 115.703 114.554 0.056 0.000 3.275 75 T HA 0.052 4.427 4.350 0.042 0.000 0.298 75 T C 1.257 175.945 174.700 -0.020 0.000 0.988 75 T CA -0.505 61.606 62.100 0.019 0.000 0.936 75 T CB -0.163 68.707 68.868 0.003 0.000 1.159 75 T HN 0.272 nan 8.240 nan 0.000 0.519 76 L N 0.762 121.959 121.223 -0.045 0.000 2.017 76 L HA 0.275 4.641 4.340 0.042 0.000 0.208 76 L C -0.131 176.444 176.870 -0.492 0.000 1.073 76 L CA 1.625 56.266 54.840 -0.332 0.000 0.745 76 L CB -0.349 41.396 42.059 -0.524 0.000 0.894 76 L HN 0.415 nan 8.230 nan 0.000 0.432 77 Y N 0.068 120.378 120.300 0.017 0.000 2.658 77 Y HA 0.432 5.007 4.550 0.042 0.000 0.362 77 Y C -2.225 173.713 175.900 0.064 0.000 1.017 77 Y CA -3.374 54.732 58.100 0.010 0.000 1.134 77 Y CB -0.226 38.227 38.460 -0.011 0.000 1.144 77 Y HN 0.105 nan 8.280 nan 0.000 0.655 78 P HA 0.123 nan 4.420 nan 0.000 0.264 78 P C 1.046 178.407 177.300 0.102 0.000 1.193 78 P CA 1.400 64.556 63.100 0.093 0.000 0.763 78 P CB 0.825 32.550 31.700 0.042 0.000 0.810 79 G N 2.460 111.307 108.800 0.078 0.000 2.205 79 G HA2 -0.299 3.687 3.960 0.042 0.000 0.261 79 G HA3 -0.299 3.687 3.960 0.042 0.000 0.261 79 G C 0.020 174.959 174.900 0.066 0.000 0.980 79 G CA -0.328 44.799 45.100 0.046 0.000 0.632 79 G HN 0.551 nan 8.290 nan 0.000 0.533 80 F N 2.229 122.144 119.950 -0.058 0.000 2.472 80 F HA 0.565 5.118 4.527 0.042 0.000 0.364 80 F C 1.391 177.095 175.800 -0.160 0.000 1.090 80 F CA -0.427 57.487 58.000 -0.143 0.000 1.188 80 F CB 1.249 40.129 39.000 -0.200 0.000 1.105 80 F HN 0.176 nan 8.300 nan 0.000 0.536 81 E N 4.102 123.855 120.200 -0.746 0.000 2.118 81 E HA -0.091 4.284 4.350 0.042 0.000 0.195 81 E C 2.163 178.245 176.600 -0.863 0.000 0.992 81 E CA 1.851 57.852 56.400 -0.664 0.000 0.804 81 E CB -0.575 28.831 29.700 -0.491 0.000 0.741 81 E HN 0.866 nan 8.360 nan 0.000 0.458 82 G N -0.914 106.851 108.800 -1.726 0.000 2.498 82 G HA2 -0.247 3.738 3.960 0.042 0.000 0.219 82 G HA3 -0.247 3.738 3.960 0.042 0.000 0.219 82 G C 1.603 176.401 174.900 -0.171 0.000 1.119 82 G CA 1.523 45.930 45.100 -1.156 0.000 0.766 82 G HN 0.497 nan 8.290 nan 0.000 0.552 83 T N -2.524 111.929 114.554 -0.168 0.000 3.046 83 T HA 0.115 4.490 4.350 0.042 0.000 0.242 83 T C 1.858 176.704 174.700 0.243 0.000 1.018 83 T CA 0.602 62.956 62.100 0.424 0.000 1.131 83 T CB -0.003 69.197 68.868 0.553 0.000 0.904 83 T HN 0.096 nan 8.240 nan 0.000 0.459 84 E N 2.314 122.518 120.200 0.006 0.000 2.209 84 E HA -0.145 4.231 4.350 0.042 0.000 0.196 84 E C 2.172 178.697 176.600 -0.127 0.000 0.993 84 E CA 1.436 57.812 56.400 -0.040 0.000 0.819 84 E CB -0.541 29.101 29.700 -0.097 0.000 0.745 84 E HN 0.813 nan 8.360 nan 0.000 0.477 85 M N -2.312 117.130 119.600 -0.264 0.000 2.446 85 M HA -0.085 4.420 4.480 0.042 0.000 0.263 85 M C 1.265 177.184 176.300 -0.635 0.000 1.066 85 M CA 1.419 56.412 55.300 -0.512 0.000 1.087 85 M CB -0.409 31.778 32.600 -0.688 0.000 1.406 85 M HN 0.010 nan 8.290 nan 0.000 0.459 86 W N 0.604 121.861 121.300 -0.072 0.000 2.907 86 W HA 0.295 4.980 4.660 0.041 0.000 0.271 86 W C 0.610 177.070 176.519 -0.097 0.000 1.253 86 W CA -0.884 56.406 57.345 -0.092 0.000 1.501 86 W CB -0.219 29.241 29.460 -0.000 0.000 1.047 86 W HN 0.083 nan 8.180 nan 0.000 0.610 87 N N 1.843 120.607 118.700 0.107 0.000 2.381 87 N HA 0.046 4.812 4.740 0.042 0.000 0.241 87 N C -2.427 173.039 175.510 -0.075 0.000 1.279 87 N CA -0.863 52.202 53.050 0.024 0.000 0.896 87 N CB -0.192 38.301 38.487 0.011 0.000 1.118 87 N HN -0.298 nan 8.380 nan 0.000 0.438 88 P HA 0.069 nan 4.420 nan 0.000 0.267 88 P C 0.134 177.350 177.300 -0.140 0.000 1.205 88 P CA -0.061 62.953 63.100 -0.144 0.000 0.765 88 P CB 0.227 31.836 31.700 -0.152 0.000 0.828 89 N N 2.763 121.365 118.700 -0.163 0.000 2.251 89 N HA 0.075 4.841 4.740 0.042 0.000 0.217 89 N C 0.128 175.568 175.510 -0.117 0.000 1.124 89 N CA -0.038 52.925 53.050 -0.144 0.000 0.843 89 N CB 0.234 38.619 38.487 -0.170 0.000 1.024 89 N HN 0.153 nan 8.380 nan 0.000 0.501 90 R N -0.226 120.202 120.500 -0.119 0.000 2.831 90 R HA 0.313 4.678 4.340 0.042 0.000 0.266 90 R C -0.521 175.723 176.300 -0.093 0.000 1.051 90 R CA -0.641 55.406 56.100 -0.090 0.000 0.943 90 R CB 0.584 30.836 30.300 -0.080 0.000 1.228 90 R HN 0.091 nan 8.270 nan 0.000 0.467 91 E N 1.914 122.070 120.200 -0.073 0.000 2.417 91 E HA 0.074 4.449 4.350 0.042 0.000 0.261 91 E C 0.048 176.599 176.600 -0.082 0.000 1.000 91 E CA 0.129 56.489 56.400 -0.068 0.000 0.919 91 E CB 0.298 29.971 29.700 -0.045 0.000 0.955 91 E HN 0.277 nan 8.360 nan 0.000 0.455 92 L N 2.092 123.244 121.223 -0.118 0.000 2.461 92 L HA 0.132 4.497 4.340 0.042 0.000 0.272 92 L C 0.877 177.742 176.870 -0.009 0.000 1.197 92 L CA 0.390 55.130 54.840 -0.167 0.000 0.836 92 L CB 0.367 42.151 42.059 -0.458 0.000 1.105 92 L HN 0.399 nan 8.230 nan 0.000 0.477 93 S N 0.131 115.855 115.700 0.041 0.000 2.565 93 S HA 0.165 4.660 4.470 0.042 0.000 0.274 93 S C 0.102 174.707 174.600 0.009 0.000 1.144 93 S CA -0.699 57.545 58.200 0.074 0.000 0.849 93 S CB 1.522 64.737 63.200 0.025 0.000 1.103 93 S HN 0.737 nan 8.310 nan 0.000 0.455 94 E N 0.814 120.964 120.200 -0.084 0.000 2.358 94 E HA -0.044 4.331 4.350 0.042 0.000 0.195 94 E C -0.355 176.181 176.600 -0.107 0.000 1.010 94 E CA 0.379 56.666 56.400 -0.188 0.000 0.856 94 E CB 0.127 29.662 29.700 -0.274 0.000 0.795 94 E HN 0.511 nan 8.360 nan 0.000 0.504 95 D N 0.470 120.843 120.400 -0.044 0.000 2.453 95 D HA 0.007 4.673 4.640 0.042 0.000 0.223 95 D C 0.109 176.479 176.300 0.117 0.000 1.183 95 D CA -0.317 53.683 54.000 -0.000 0.000 0.933 95 D CB 0.055 40.874 40.800 0.032 0.000 1.038 95 D HN 0.117 nan 8.370 nan 0.000 0.513 96 c N 2.484 121.108 118.600 0.039 0.000 4.095 96 c HA 0.347 4.942 4.570 0.042 0.000 0.327 96 c C 0.620 174.736 174.090 0.043 0.000 1.811 96 c CA -0.629 55.795 56.329 0.158 0.000 1.785 96 c CB -1.231 41.319 42.510 0.068 0.000 3.120 96 c HN 0.443 nan 8.230 nan 0.000 0.621 97 L N 2.627 123.607 121.223 -0.405 0.000 2.415 97 L HA 0.378 4.743 4.340 0.042 0.000 0.269 97 L C -0.936 175.291 176.870 -1.071 0.000 1.244 97 L CA 0.695 55.102 54.840 -0.722 0.000 1.113 97 L CB -0.758 40.742 42.059 -0.933 0.000 1.352 97 L HN 0.399 nan 8.230 nan 0.000 0.433 98 Y N 1.989 122.275 120.300 -0.023 0.000 2.553 98 Y HA 0.626 5.202 4.550 0.042 0.000 0.347 98 Y C -0.141 175.955 175.900 0.327 0.000 1.019 98 Y CA -1.294 56.878 58.100 0.120 0.000 1.032 98 Y CB 1.951 40.422 38.460 0.020 0.000 1.284 98 Y HN 0.202 nan 8.280 nan 0.000 0.466 99 L N -0.124 121.297 121.223 0.329 0.000 2.283 99 L HA 0.806 5.171 4.340 0.042 0.000 0.259 99 L C -1.236 175.643 176.870 0.014 0.000 1.027 99 L CA -1.149 53.752 54.840 0.102 0.000 0.828 99 L CB 1.659 43.600 42.059 -0.198 0.000 1.380 99 L HN 0.480 nan 8.230 nan 0.000 0.425 100 N N -0.003 118.705 118.700 0.014 0.000 2.240 100 N HA 0.750 5.515 4.740 0.042 0.000 0.302 100 N C -1.524 173.904 175.510 -0.136 0.000 1.106 100 N CA -0.434 52.540 53.050 -0.127 0.000 0.778 100 N CB 2.782 41.184 38.487 -0.142 0.000 1.431 100 N HN 0.527 nan 8.380 nan 0.000 0.479 101 V N 1.125 120.882 119.914 -0.261 0.000 2.577 101 V HA 0.458 4.603 4.120 0.042 0.000 0.303 101 V C -0.783 175.266 176.094 -0.075 0.000 1.042 101 V CA -0.848 61.394 62.300 -0.097 0.000 0.872 101 V CB 2.058 33.659 31.823 -0.370 0.000 0.998 101 V HN 0.535 nan 8.190 nan 0.000 0.423 102 W N 2.773 124.184 121.300 0.184 0.000 2.551 102 W HA 0.698 5.383 4.660 0.043 0.000 0.330 102 W C 0.218 176.864 176.519 0.213 0.000 1.063 102 W CA -0.458 57.005 57.345 0.197 0.000 1.222 102 W CB 2.419 31.960 29.460 0.135 0.000 1.349 102 W HN 0.649 nan 8.180 nan 0.000 0.536 103 T N -0.302 114.530 114.554 0.464 0.000 2.896 103 T HA 0.481 4.856 4.350 0.042 0.000 0.297 103 T C -2.647 172.242 174.700 0.316 0.000 1.108 103 T CA -2.298 60.019 62.100 0.361 0.000 1.004 103 T CB 2.134 71.223 68.868 0.368 0.000 1.159 103 T HN 0.011 nan 8.240 nan 0.000 0.499 104 P HA 0.069 nan 4.420 nan 0.000 0.269 104 P C -1.392 176.054 177.300 0.244 0.000 1.211 104 P CA -0.011 63.217 63.100 0.213 0.000 0.781 104 P CB 0.160 31.951 31.700 0.152 0.000 0.877 105 Y N 2.699 123.061 120.300 0.104 0.000 2.338 105 Y HA 0.363 4.938 4.550 0.042 0.000 0.328 105 Y C -1.985 173.954 175.900 0.065 0.000 0.965 105 Y CA -2.312 55.839 58.100 0.086 0.000 1.208 105 Y CB 1.107 39.606 38.460 0.064 0.000 1.132 105 Y HN 0.295 nan 8.280 nan 0.000 0.469 106 P HA 0.174 nan 4.420 nan 0.000 0.274 106 P C -1.009 176.239 177.300 -0.086 0.000 1.246 106 P CA -0.620 62.280 63.100 -0.333 0.000 0.795 106 P CB 0.973 32.530 31.700 -0.238 0.000 1.006 107 R N 2.347 122.811 120.500 -0.060 0.000 2.538 107 R HA 0.141 4.506 4.340 0.042 0.000 0.282 107 R C -1.902 174.419 176.300 0.036 0.000 1.009 107 R CA -0.979 55.153 56.100 0.054 0.000 1.063 107 R CB -0.704 29.648 30.300 0.086 0.000 0.945 107 R HN 0.340 nan 8.270 nan 0.000 0.414 108 P HA -0.047 nan 4.420 nan 0.000 0.267 108 P C -0.088 177.229 177.300 0.029 0.000 1.200 108 P CA 0.243 63.373 63.100 0.049 0.000 0.772 108 P CB 1.017 32.757 31.700 0.066 0.000 0.855 109 A N 3.361 126.193 122.820 0.019 0.000 1.845 109 A HA -0.068 4.277 4.320 0.042 0.000 0.215 109 A C 1.175 178.766 177.584 0.011 0.000 1.195 109 A CA 1.679 53.722 52.037 0.010 0.000 0.616 109 A CB -1.232 17.772 19.000 0.007 0.000 0.832 109 A HN 0.727 nan 8.150 nan 0.000 0.443 110 S N -0.392 115.317 115.700 0.015 0.000 2.654 110 S HA 0.547 5.042 4.470 0.042 0.000 0.283 110 S C -2.887 171.726 174.600 0.022 0.000 1.180 110 S CA -1.753 56.455 58.200 0.013 0.000 1.021 110 S CB 0.504 63.709 63.200 0.009 0.000 1.018 110 S HN 0.089 nan 8.310 nan 0.000 0.532 111 P HA 0.074 nan 4.420 nan 0.000 0.255 111 P C -0.635 176.682 177.300 0.028 0.000 1.161 111 P CA 0.590 63.705 63.100 0.025 0.000 0.768 111 P CB -0.194 31.512 31.700 0.010 0.000 0.746 112 T N 5.787 120.369 114.554 0.048 0.000 2.824 112 T HA 0.376 4.751 4.350 0.042 0.000 0.280 112 T C -2.410 172.322 174.700 0.053 0.000 0.995 112 T CA -2.091 60.039 62.100 0.050 0.000 1.009 112 T CB 0.796 69.707 68.868 0.072 0.000 0.955 112 T HN 0.107 nan 8.240 nan 0.000 0.452 113 P HA 0.042 nan 4.420 nan 0.000 0.261 113 P C -0.720 176.625 177.300 0.075 0.000 1.165 113 P CA 0.034 63.157 63.100 0.039 0.000 0.759 113 P CB 0.242 31.950 31.700 0.013 0.000 0.772 114 V N 5.678 125.653 119.914 0.102 0.000 2.481 114 V HA 0.282 4.428 4.120 0.042 0.000 0.286 114 V C 0.477 176.661 176.094 0.149 0.000 1.042 114 V CA -0.416 61.967 62.300 0.137 0.000 0.928 114 V CB 1.154 33.070 31.823 0.155 0.000 0.986 114 V HN 0.332 nan 8.190 nan 0.000 0.462 115 L N 5.724 127.052 121.223 0.175 0.000 2.287 115 L HA 0.573 4.938 4.340 0.042 0.000 0.287 115 L C -0.492 176.626 176.870 0.414 0.000 1.022 115 L CA -0.070 54.897 54.840 0.212 0.000 0.814 115 L CB 1.462 43.537 42.059 0.026 0.000 1.217 115 L HN 0.499 nan 8.230 nan 0.000 0.420 116 I N 3.099 123.937 120.570 0.448 0.000 2.339 116 I HA 0.220 4.416 4.170 0.042 0.000 0.290 116 I C -0.729 175.677 176.117 0.481 0.000 0.994 116 I CA -0.434 61.108 61.300 0.402 0.000 1.191 116 I CB 1.252 39.361 38.000 0.181 0.000 1.343 116 I HN 0.629 nan 8.210 nan 0.000 0.458 117 W N 8.588 129.998 121.300 0.183 0.000 2.390 117 W HA 0.602 5.287 4.660 0.041 0.000 0.312 117 W C -1.663 174.747 176.519 -0.182 0.000 1.123 117 W CA -0.687 56.527 57.345 -0.219 0.000 1.202 117 W CB 1.244 30.566 29.460 -0.230 0.000 1.251 117 W HN 0.347 nan 8.180 nan 0.000 0.511 118 I N 8.545 128.429 120.570 -1.143 0.000 2.389 118 I HA 0.125 4.320 4.170 0.042 0.000 0.288 118 I C -0.164 175.148 176.117 -1.342 0.000 0.999 118 I CA -1.127 59.603 61.300 -0.950 0.000 1.129 118 I CB 1.096 38.712 38.000 -0.640 0.000 1.288 118 I HN 0.311 nan 8.210 nan 0.000 0.444 119 Y N 4.521 124.438 120.300 -0.639 0.000 2.330 119 Y HA 0.724 5.300 4.550 0.042 0.000 0.341 119 Y C 0.812 176.548 175.900 -0.273 0.000 1.278 119 Y CA -0.903 56.928 58.100 -0.448 0.000 1.453 119 Y CB -0.180 38.228 38.460 -0.087 0.000 1.342 119 Y HN 0.548 nan 8.280 nan 0.000 0.590 120 G N -1.106 107.746 108.800 0.087 0.000 2.543 120 G HA2 0.460 4.445 3.960 0.042 0.000 0.267 120 G HA3 0.460 4.445 3.960 0.042 0.000 0.267 120 G C 0.425 175.290 174.900 -0.058 0.000 1.406 120 G CA -0.869 44.188 45.100 -0.072 0.000 1.048 120 G HN 1.770 nan 8.290 nan 0.000 0.548 121 G N -2.835 105.758 108.800 -0.344 0.000 2.147 121 G HA2 0.351 4.336 3.960 0.042 0.000 0.128 121 G HA3 0.351 4.336 3.960 0.042 0.000 0.128 121 G C 1.207 175.574 174.900 -0.888 0.000 1.026 121 G CA 0.725 45.491 45.100 -0.557 0.000 0.693 121 G HN 2.353 nan 8.290 nan 0.000 0.499 122 G N -0.560 107.707 108.800 -0.887 0.000 2.269 122 G HA2 -0.117 3.869 3.960 0.042 0.000 0.277 122 G HA3 -0.117 3.869 3.960 0.042 0.000 0.277 122 G C 0.924 175.489 174.900 -0.557 0.000 1.008 122 G CA 0.946 45.297 45.100 -1.249 0.000 0.774 122 G HN 1.810 nan 8.290 nan 0.000 0.511 123 F N -3.614 116.186 119.950 -0.251 0.000 2.871 123 F HA -0.320 4.232 4.527 0.042 0.000 0.326 123 F C 1.484 177.382 175.800 0.163 0.000 0.675 123 F CA 2.119 60.104 58.000 -0.024 0.000 1.188 123 F CB -2.075 36.767 39.000 -0.264 0.000 1.567 123 F HN 0.858 nan 8.300 nan 0.000 0.325 124 Y N -1.069 119.319 120.300 0.148 0.000 2.444 124 Y HA 0.634 5.209 4.550 0.042 0.000 0.252 124 Y C 0.753 176.776 175.900 0.205 0.000 1.091 124 Y CA 0.338 58.550 58.100 0.187 0.000 1.276 124 Y CB -0.037 38.471 38.460 0.081 0.000 1.170 124 Y HN 0.072 nan 8.280 nan 0.000 0.517 125 S N -0.808 114.716 115.700 -0.293 0.000 2.790 125 S HA 0.881 5.376 4.470 0.042 0.000 0.292 125 S C -0.083 174.369 174.600 -0.246 0.000 1.197 125 S CA -0.547 57.536 58.200 -0.195 0.000 0.851 125 S CB 1.462 64.516 63.200 -0.242 0.000 1.217 125 S HN 1.334 nan 8.310 nan 0.000 0.526 126 G N -0.775 107.829 108.800 -0.326 0.000 2.515 126 G HA2 0.539 4.524 3.960 0.042 0.000 0.686 126 G HA3 0.539 4.524 3.960 0.042 0.000 0.686 126 G C -0.666 173.551 174.900 -1.139 0.000 1.274 126 G CA -0.224 44.483 45.100 -0.655 0.000 0.874 126 G HN 2.171 nan 8.290 nan 0.000 0.631 127 A N -0.917 121.151 122.820 -1.254 0.000 2.605 127 A HA 1.003 5.348 4.320 0.042 0.000 0.294 127 A C 0.450 177.856 177.584 -0.296 0.000 1.062 127 A CA 0.528 52.079 52.037 -0.811 0.000 0.682 127 A CB 0.902 19.667 19.000 -0.393 0.000 1.278 127 A HN 2.599 nan 8.150 nan 0.000 0.410 128 A N 0.267 123.112 122.820 0.042 0.000 2.278 128 A HA 0.393 4.738 4.320 0.042 0.000 0.212 128 A C 1.346 178.920 177.584 -0.017 0.000 1.213 128 A CA 1.343 53.559 52.037 0.299 0.000 0.840 128 A CB -0.622 18.626 19.000 0.414 0.000 0.866 128 A HN 1.778 nan 8.150 nan 0.000 0.489 129 S N -0.919 114.543 115.700 -0.398 0.000 2.559 129 S HA 0.370 4.865 4.470 0.042 0.000 0.226 129 S C 0.387 174.587 174.600 -0.667 0.000 1.000 129 S CA -0.444 57.079 58.200 -1.129 0.000 0.948 129 S CB -0.474 61.966 63.200 -1.267 0.000 0.870 129 S HN 0.332 nan 8.310 nan 0.000 0.497 130 L N 2.269 123.226 121.223 -0.443 0.000 2.483 130 L HA 0.173 4.538 4.340 0.042 0.000 0.275 130 L C 1.146 177.702 176.870 -0.523 0.000 1.220 130 L CA -0.397 54.130 54.840 -0.522 0.000 0.833 130 L CB 0.222 41.838 42.059 -0.737 0.000 1.102 130 L HN 0.087 nan 8.230 nan 0.000 0.490 131 D N 0.848 120.977 120.400 -0.451 0.000 2.144 131 D HA -0.138 4.527 4.640 0.042 0.000 0.199 131 D C 1.980 178.009 176.300 -0.452 0.000 0.984 131 D CA 1.277 55.071 54.000 -0.342 0.000 0.834 131 D CB -0.096 40.550 40.800 -0.256 0.000 0.955 131 D HN 0.509 nan 8.370 nan 0.000 0.465 132 V N -1.260 118.247 119.914 -0.678 0.000 3.241 132 V HA -0.156 3.989 4.120 0.042 0.000 0.269 132 V C 0.790 176.319 176.094 -0.942 0.000 1.151 132 V CA 1.004 62.879 62.300 -0.708 0.000 1.158 132 V CB -1.252 30.129 31.823 -0.737 0.000 0.764 132 V HN 0.079 nan 8.190 nan 0.000 0.508 133 Y N 0.209 119.940 120.300 -0.949 0.000 2.708 133 Y HA 0.487 5.062 4.550 0.042 0.000 0.287 133 Y C 0.641 175.848 175.900 -1.155 0.000 1.145 133 Y CA -2.169 54.954 58.100 -1.628 0.000 1.249 133 Y CB -0.718 37.120 38.460 -1.036 0.000 1.152 133 Y HN 0.232 nan 8.280 nan 0.000 0.532 134 D N 0.588 120.601 120.400 -0.645 0.000 2.343 134 D HA 0.134 4.799 4.640 0.042 0.000 0.255 134 D C 1.307 177.222 176.300 -0.641 0.000 1.187 134 D CA 0.250 53.957 54.000 -0.487 0.000 0.875 134 D CB 1.538 42.187 40.800 -0.251 0.000 1.136 134 D HN 0.460 nan 8.370 nan 0.000 0.469 135 G N 4.048 111.915 108.800 -1.555 0.000 2.985 135 G HA2 -0.138 3.847 3.960 0.042 0.000 0.209 135 G HA3 -0.138 3.847 3.960 0.042 0.000 0.209 135 G C 1.458 175.778 174.900 -0.966 0.000 1.165 135 G CA 0.053 44.426 45.100 -1.212 0.000 0.776 135 G HN 0.588 nan 8.290 nan 0.000 0.541 136 R N -0.204 119.664 120.500 -1.053 0.000 2.073 136 R HA -0.076 4.289 4.340 0.042 0.000 0.234 136 R C 1.739 177.797 176.300 -0.404 0.000 1.134 136 R CA 1.359 57.096 56.100 -0.605 0.000 0.952 136 R CB -0.824 29.123 30.300 -0.587 0.000 0.850 136 R HN 0.281 nan 8.270 nan 0.000 0.433 137 F N 1.718 121.591 119.950 -0.128 0.000 2.075 137 F HA -0.062 4.491 4.527 0.043 0.000 0.297 137 F C 2.525 178.286 175.800 -0.066 0.000 1.113 137 F CA 1.043 58.995 58.000 -0.081 0.000 1.218 137 F CB -0.820 38.123 39.000 -0.095 0.000 0.984 137 F HN -0.100 nan 8.300 nan 0.000 0.472 138 L N -0.220 121.061 121.223 0.096 0.000 2.079 138 L HA -0.232 4.134 4.340 0.042 0.000 0.210 138 L C 2.699 179.599 176.870 0.050 0.000 1.081 138 L CA 1.159 56.017 54.840 0.030 0.000 0.752 138 L CB -0.918 41.119 42.059 -0.037 0.000 0.896 138 L HN 0.206 nan 8.230 nan 0.000 0.433 139 A N -1.020 121.834 122.820 0.057 0.000 1.877 139 A HA -0.246 4.099 4.320 0.042 0.000 0.216 139 A C 2.281 179.929 177.584 0.106 0.000 1.186 139 A CA 1.623 53.730 52.037 0.118 0.000 0.620 139 A CB -0.503 18.615 19.000 0.196 0.000 0.822 139 A HN 0.410 nan 8.150 nan 0.000 0.443 140 Q N -0.131 119.719 119.800 0.083 0.000 2.020 140 Q HA -0.081 4.284 4.340 0.042 0.000 0.198 140 Q C 2.131 178.179 176.000 0.080 0.000 0.974 140 Q CA 2.010 57.865 55.803 0.087 0.000 0.829 140 Q CB -0.237 28.544 28.738 0.072 0.000 0.894 140 Q HN 0.410 nan 8.270 nan 0.000 0.433 141 V N 1.244 121.206 119.914 0.080 0.000 2.667 141 V HA -0.110 4.035 4.120 0.042 0.000 0.252 141 V C 1.499 177.617 176.094 0.040 0.000 1.065 141 V CA 1.488 63.823 62.300 0.058 0.000 1.083 141 V CB -0.116 31.738 31.823 0.051 0.000 0.692 141 V HN 0.257 nan 8.190 nan 0.000 0.468 142 E N -0.784 119.441 120.200 0.043 0.000 2.572 142 E HA 0.238 4.614 4.350 0.042 0.000 0.220 142 E C 1.639 178.266 176.600 0.045 0.000 0.945 142 E CA 0.751 57.171 56.400 0.032 0.000 1.070 142 E CB 1.047 30.757 29.700 0.017 0.000 1.090 142 E HN 0.524 nan 8.360 nan 0.000 0.506 143 G N 1.944 110.782 108.800 0.063 0.000 2.143 143 G HA2 -0.307 3.679 3.960 0.042 0.000 0.248 143 G HA3 -0.307 3.679 3.960 0.042 0.000 0.248 143 G C 0.483 175.435 174.900 0.087 0.000 0.991 143 G CA 0.332 45.478 45.100 0.077 0.000 0.689 143 G HN 0.441 nan 8.290 nan 0.000 0.522 144 A N -0.220 122.652 122.820 0.086 0.000 2.401 144 A HA 0.659 5.004 4.320 0.042 0.000 0.259 144 A C 0.664 178.336 177.584 0.148 0.000 1.103 144 A CA 0.080 52.174 52.037 0.095 0.000 0.789 144 A CB 1.003 20.042 19.000 0.065 0.000 1.035 144 A HN 1.137 nan 8.150 nan 0.000 0.491 145 V N 4.068 124.076 119.914 0.156 0.000 2.427 145 V HA 0.204 4.349 4.120 0.042 0.000 0.268 145 V C 0.133 176.362 176.094 0.226 0.000 1.046 145 V CA 0.216 62.634 62.300 0.198 0.000 0.970 145 V CB 0.374 32.299 31.823 0.170 0.000 1.001 145 V HN 0.709 nan 8.190 nan 0.000 0.476 146 L N 6.858 128.270 121.223 0.315 0.000 2.325 146 L HA 0.681 5.046 4.340 0.042 0.000 0.281 146 L C -0.660 176.510 176.870 0.500 0.000 1.004 146 L CA -0.248 54.827 54.840 0.392 0.000 0.823 146 L CB 1.655 43.935 42.059 0.369 0.000 1.236 146 L HN 0.412 nan 8.230 nan 0.000 0.415 147 V N 3.586 123.757 119.914 0.428 0.000 2.581 147 V HA 0.721 4.867 4.120 0.042 0.000 0.303 147 V C -0.208 176.144 176.094 0.430 0.000 1.041 147 V CA -0.319 62.195 62.300 0.356 0.000 0.907 147 V CB 1.907 33.859 31.823 0.214 0.000 0.994 147 V HN 0.876 nan 8.190 nan 0.000 0.442 148 S N 5.386 121.327 115.700 0.402 0.000 2.536 148 S HA 0.835 5.330 4.470 0.042 0.000 0.271 148 S C -0.925 173.835 174.600 0.267 0.000 1.134 148 S CA -0.842 57.600 58.200 0.403 0.000 0.897 148 S CB 2.184 65.742 63.200 0.597 0.000 1.094 148 S HN 0.851 nan 8.310 nan 0.000 0.473 149 M N 1.521 121.242 119.600 0.201 0.000 2.662 149 M HA 0.661 5.166 4.480 0.042 0.000 0.310 149 M C -1.566 174.945 176.300 0.351 0.000 1.204 149 M CA -0.525 54.886 55.300 0.185 0.000 0.891 149 M CB 1.107 33.662 32.600 -0.074 0.000 1.732 149 M HN 0.571 nan 8.290 nan 0.000 0.467 150 N N 2.225 121.186 118.700 0.435 0.000 2.524 150 N HA 0.586 5.351 4.740 0.042 0.000 0.283 150 N C -1.411 174.364 175.510 0.442 0.000 1.142 150 N CA 0.095 53.411 53.050 0.443 0.000 0.984 150 N CB 0.635 39.320 38.487 0.331 0.000 1.155 150 N HN 0.725 nan 8.380 nan 0.000 0.467 151 Y N -2.013 118.452 120.300 0.276 0.000 2.524 151 Y HA 0.545 5.120 4.550 0.042 0.000 0.347 151 Y C -0.162 175.866 175.900 0.214 0.000 1.005 151 Y CA -1.327 56.889 58.100 0.193 0.000 1.025 151 Y CB 0.934 39.443 38.460 0.082 0.000 1.275 151 Y HN 0.195 nan 8.280 nan 0.000 0.460 152 R N 2.300 122.934 120.500 0.223 0.000 2.484 152 R HA 0.404 4.769 4.340 0.042 0.000 0.293 152 R C 0.010 176.455 176.300 0.243 0.000 1.023 152 R CA -0.090 56.099 56.100 0.147 0.000 1.037 152 R CB 0.586 30.937 30.300 0.084 0.000 0.951 152 R HN 0.715 nan 8.270 nan 0.000 0.418 153 V N 0.601 120.690 119.914 0.292 0.000 3.267 153 V HA 0.835 4.980 4.120 0.042 0.000 0.317 153 V C 1.012 177.421 176.094 0.525 0.000 1.131 153 V CA -0.075 62.513 62.300 0.480 0.000 1.031 153 V CB 0.964 32.989 31.823 0.337 0.000 1.159 153 V HN 0.952 nan 8.190 nan 0.000 0.454 154 G N 1.421 110.563 108.800 0.570 0.000 2.594 154 G HA2 -0.344 3.641 3.960 0.042 0.000 0.297 154 G HA3 -0.344 3.641 3.960 0.042 0.000 0.297 154 G C 1.052 176.082 174.900 0.217 0.000 1.273 154 G CA 1.804 47.160 45.100 0.425 0.000 0.974 154 G HN 2.294 nan 8.290 nan 0.000 0.552 155 T N -1.868 112.536 114.554 -0.249 0.000 2.788 155 T HA -0.005 4.371 4.350 0.042 0.000 0.268 155 T C 2.146 176.723 174.700 -0.205 0.000 1.044 155 T CA 2.402 64.124 62.100 -0.631 0.000 1.139 155 T CB -0.344 67.974 68.868 -0.916 0.000 0.867 155 T HN 0.515 nan 8.240 nan 0.000 0.454 156 F N 2.027 122.037 119.950 0.098 0.000 2.293 156 F HA 0.264 4.817 4.527 0.042 0.000 0.300 156 F C 2.665 178.468 175.800 0.005 0.000 1.086 156 F CA 0.741 58.764 58.000 0.038 0.000 1.375 156 F CB -0.714 38.276 39.000 -0.017 0.000 1.045 156 F HN 0.380 nan 8.300 nan 0.000 0.516 157 G N -1.978 106.894 108.800 0.120 0.000 2.709 157 G HA2 0.038 4.023 3.960 0.042 0.000 0.208 157 G HA3 0.038 4.023 3.960 0.042 0.000 0.208 157 G C 0.839 175.293 174.900 -0.744 0.000 1.129 157 G CA 0.158 45.063 45.100 -0.324 0.000 0.793 157 G HN 0.330 nan 8.290 nan 0.000 0.524 158 F N -0.399 119.644 119.950 0.155 0.000 2.838 158 F HA 0.439 4.992 4.527 0.043 0.000 0.329 158 F C 0.386 176.260 175.800 0.124 0.000 1.116 158 F CA -0.905 57.160 58.000 0.109 0.000 1.155 158 F CB 0.479 39.537 39.000 0.097 0.000 1.106 158 F HN -0.091 nan 8.300 nan 0.000 0.538 159 L N 2.324 123.605 121.223 0.097 0.000 2.530 159 L HA 0.542 4.907 4.340 0.042 0.000 0.273 159 L C 0.097 176.925 176.870 -0.070 0.000 1.141 159 L CA -0.003 54.800 54.840 -0.061 0.000 0.905 159 L CB 0.040 41.776 42.059 -0.539 0.000 1.202 159 L HN 0.135 nan 8.230 nan 0.000 0.473 160 A N 6.210 129.046 122.820 0.028 0.000 2.342 160 A HA 0.700 5.045 4.320 0.042 0.000 0.323 160 A C -0.886 176.674 177.584 -0.039 0.000 1.125 160 A CA -0.643 51.384 52.037 -0.016 0.000 0.785 160 A CB 1.113 20.131 19.000 0.028 0.000 1.221 160 A HN 0.717 nan 8.150 nan 0.000 0.463 161 L N 3.497 124.681 121.223 -0.065 0.000 2.360 161 L HA 0.315 4.680 4.340 0.042 0.000 0.265 161 L C -2.363 174.493 176.870 -0.024 0.000 1.066 161 L CA -1.687 53.124 54.840 -0.047 0.000 0.929 161 L CB 1.068 43.087 42.059 -0.067 0.000 1.306 161 L HN 0.405 nan 8.230 nan 0.000 0.434 162 P HA -0.013 nan 4.420 nan 0.000 0.261 162 P C 1.071 178.370 177.300 -0.000 0.000 1.173 162 P CA 0.951 64.050 63.100 -0.001 0.000 0.760 162 P CB 0.771 32.470 31.700 -0.002 0.000 0.783 163 G N 1.826 110.630 108.800 0.007 0.000 2.205 163 G HA2 -0.268 3.717 3.960 0.042 0.000 0.261 163 G HA3 -0.268 3.717 3.960 0.042 0.000 0.261 163 G C 0.470 175.374 174.900 0.007 0.000 0.980 163 G CA 0.407 45.512 45.100 0.008 0.000 0.632 163 G HN 0.832 nan 8.290 nan 0.000 0.533 164 S N -0.715 114.986 115.700 0.002 0.000 2.600 164 S HA 0.584 5.079 4.470 0.042 0.000 0.265 164 S C 1.197 175.805 174.600 0.013 0.000 1.325 164 S CA 0.387 58.588 58.200 0.003 0.000 1.002 164 S CB 1.760 64.956 63.200 -0.008 0.000 0.921 164 S HN 0.385 nan 8.310 nan 0.000 0.554 165 R N 0.192 120.702 120.500 0.016 0.000 2.173 165 R HA 0.045 4.410 4.340 0.042 0.000 0.208 165 R C 1.435 177.755 176.300 0.033 0.000 1.035 165 R CA 0.865 56.980 56.100 0.025 0.000 1.004 165 R CB 0.001 30.315 30.300 0.023 0.000 0.917 165 R HN 0.890 nan 8.270 nan 0.000 0.462 166 E N -0.933 119.287 120.200 0.032 0.000 2.452 166 E HA 0.077 4.452 4.350 0.042 0.000 0.197 166 E C -0.116 176.529 176.600 0.075 0.000 1.022 166 E CA 0.223 56.656 56.400 0.054 0.000 0.890 166 E CB 0.945 30.677 29.700 0.054 0.000 0.918 166 E HN 0.118 nan 8.360 nan 0.000 0.496 167 A N 2.605 125.443 122.820 0.029 0.000 3.300 167 A HA 0.339 4.684 4.320 0.042 0.000 0.300 167 A C -2.221 175.359 177.584 -0.007 0.000 1.099 167 A CA -0.929 51.111 52.037 0.005 0.000 0.846 167 A CB 0.855 19.762 19.000 -0.154 0.000 1.255 167 A HN -0.082 nan 8.150 nan 0.000 0.519 168 P HA 0.196 nan 4.420 nan 0.000 0.241 168 P C 0.857 178.170 177.300 0.022 0.000 1.191 168 P CA 1.539 64.653 63.100 0.022 0.000 0.771 168 P CB 0.212 31.935 31.700 0.037 0.000 0.929 169 G N 1.013 109.823 108.800 0.017 0.000 2.699 169 G HA2 -0.170 3.815 3.960 0.042 0.000 0.686 169 G HA3 -0.170 3.815 3.960 0.042 0.000 0.686 169 G C -0.147 174.751 174.900 -0.003 0.000 1.301 169 G CA -0.326 44.788 45.100 0.024 0.000 0.816 169 G HN 0.125 nan 8.290 nan 0.000 0.595 170 N N -2.414 116.291 118.700 0.007 0.000 2.800 170 N HA -0.270 4.495 4.740 0.042 0.000 0.250 170 N C 1.799 177.165 175.510 -0.241 0.000 1.078 170 N CA 2.393 55.388 53.050 -0.091 0.000 0.804 170 N CB -1.743 36.612 38.487 -0.219 0.000 1.135 170 N HN 1.919 nan 8.380 nan 0.000 0.565 171 V N -2.693 117.064 119.914 -0.261 0.000 2.515 171 V HA 0.033 4.178 4.120 0.042 0.000 0.250 171 V C 2.361 178.311 176.094 -0.241 0.000 1.058 171 V CA 2.231 64.423 62.300 -0.181 0.000 1.064 171 V CB -0.940 30.832 31.823 -0.085 0.000 0.675 171 V HN 0.266 nan 8.190 nan 0.000 0.461 172 G N 0.912 109.358 108.800 -0.590 0.000 2.469 172 G HA2 -0.234 3.751 3.960 0.042 0.000 0.219 172 G HA3 -0.234 3.751 3.960 0.042 0.000 0.219 172 G C 1.564 176.420 174.900 -0.073 0.000 1.150 172 G CA 1.528 46.396 45.100 -0.388 0.000 0.763 172 G HN 0.559 nan 8.290 nan 0.000 0.561 173 L N -0.221 120.926 121.223 -0.128 0.000 2.156 173 L HA 0.113 4.478 4.340 0.042 0.000 0.208 173 L C 2.833 179.681 176.870 -0.037 0.000 1.095 173 L CA 0.210 54.930 54.840 -0.200 0.000 0.770 173 L CB -0.308 41.316 42.059 -0.724 0.000 0.914 173 L HN 0.162 nan 8.230 nan 0.000 0.439 174 L N -0.376 120.823 121.223 -0.040 0.000 2.131 174 L HA -0.210 4.155 4.340 0.042 0.000 0.210 174 L C 2.175 179.152 176.870 0.178 0.000 1.092 174 L CA 0.897 55.823 54.840 0.145 0.000 0.759 174 L CB -0.565 41.563 42.059 0.116 0.000 0.903 174 L HN 0.303 nan 8.230 nan 0.000 0.435 175 D N -0.060 120.433 120.400 0.155 0.000 2.104 175 D HA -0.216 4.449 4.640 0.042 0.000 0.194 175 D C 2.259 178.707 176.300 0.247 0.000 0.994 175 D CA 1.250 55.420 54.000 0.284 0.000 0.830 175 D CB -0.187 40.799 40.800 0.311 0.000 0.959 175 D HN 0.389 nan 8.370 nan 0.000 0.452 176 Q N 0.097 119.975 119.800 0.129 0.000 2.084 176 Q HA -0.141 4.225 4.340 0.042 0.000 0.202 176 Q C 2.291 178.285 176.000 -0.009 0.000 0.978 176 Q CA 1.083 56.890 55.803 0.007 0.000 0.844 176 Q CB -0.086 28.663 28.738 0.019 0.000 0.898 176 Q HN 0.196 nan 8.270 nan 0.000 0.426 177 R N 0.555 121.160 120.500 0.175 0.000 2.091 177 R HA -0.198 4.167 4.340 0.042 0.000 0.238 177 R C 2.180 178.538 176.300 0.097 0.000 1.136 177 R CA 1.183 57.375 56.100 0.154 0.000 0.959 177 R CB -0.257 30.238 30.300 0.325 0.000 0.856 177 R HN 0.220 nan 8.270 nan 0.000 0.437 178 L N 0.647 121.957 121.223 0.145 0.000 2.046 178 L HA -0.062 4.303 4.340 0.042 0.000 0.208 178 L C 2.302 179.216 176.870 0.073 0.000 1.077 178 L CA 2.092 57.046 54.840 0.190 0.000 0.747 178 L CB -0.670 41.601 42.059 0.353 0.000 0.896 178 L HN 0.282 nan 8.230 nan 0.000 0.432 179 A N -0.778 121.879 122.820 -0.272 0.000 1.883 179 A HA -0.193 4.152 4.320 0.042 0.000 0.217 179 A C 2.104 179.626 177.584 -0.103 0.000 1.186 179 A CA 1.941 53.655 52.037 -0.537 0.000 0.624 179 A CB -0.878 17.613 19.000 -0.848 0.000 0.822 179 A HN 0.395 nan 8.150 nan 0.000 0.444 180 L N -0.467 120.704 121.223 -0.088 0.000 2.042 180 L HA -0.230 4.135 4.340 0.042 0.000 0.210 180 L C 2.640 179.551 176.870 0.069 0.000 1.076 180 L CA 2.191 57.020 54.840 -0.019 0.000 0.749 180 L CB -1.312 40.695 42.059 -0.088 0.000 0.893 180 L HN 0.480 nan 8.230 nan 0.000 0.432 181 Q N -2.071 117.785 119.800 0.092 0.000 2.061 181 Q HA -0.274 4.091 4.340 0.042 0.000 0.204 181 Q C 2.163 178.253 176.000 0.150 0.000 0.984 181 Q CA 2.227 58.098 55.803 0.114 0.000 0.846 181 Q CB -0.435 28.380 28.738 0.129 0.000 0.902 181 Q HN 0.553 nan 8.270 nan 0.000 0.421 182 W N -0.235 121.078 121.300 0.022 0.000 2.321 182 W HA -0.267 4.419 4.660 0.042 0.000 0.306 182 W C 1.850 178.394 176.519 0.041 0.000 1.217 182 W CA 1.569 58.944 57.345 0.051 0.000 1.257 182 W CB -0.255 29.232 29.460 0.045 0.000 1.145 182 W HN -0.065 nan 8.180 nan 0.000 0.509 183 V N 0.599 120.732 119.914 0.365 0.000 2.295 183 V HA -0.366 3.780 4.120 0.042 0.000 0.246 183 V C 2.563 178.685 176.094 0.046 0.000 1.049 183 V CA 2.126 64.560 62.300 0.224 0.000 1.024 183 V CB -1.117 30.834 31.823 0.214 0.000 0.648 183 V HN 0.180 nan 8.190 nan 0.000 0.447 184 Q N 0.025 119.854 119.800 0.048 0.000 2.096 184 Q HA -0.268 4.097 4.340 0.042 0.000 0.208 184 Q C 2.209 178.182 176.000 -0.044 0.000 0.993 184 Q CA 2.071 57.885 55.803 0.019 0.000 0.862 184 Q CB -0.407 28.347 28.738 0.027 0.000 0.915 184 Q HN 0.726 nan 8.270 nan 0.000 0.416 185 E N -0.620 119.515 120.200 -0.108 0.000 2.216 185 E HA -0.033 4.342 4.350 0.042 0.000 0.192 185 E C 1.227 177.666 176.600 -0.267 0.000 0.988 185 E CA 0.453 56.751 56.400 -0.171 0.000 0.834 185 E CB 0.245 29.831 29.700 -0.189 0.000 0.772 185 E HN 0.327 nan 8.360 nan 0.000 0.479 186 N N -0.312 118.145 118.700 -0.404 0.000 2.266 186 N HA 0.022 4.787 4.740 0.042 0.000 0.217 186 N C 1.472 176.889 175.510 -0.155 0.000 1.211 186 N CA 0.041 52.806 53.050 -0.475 0.000 0.881 186 N CB 0.451 38.211 38.487 -1.213 0.000 1.153 186 N HN 0.030 nan 8.380 nan 0.000 0.489 187 I N 2.545 123.074 120.570 -0.067 0.000 2.361 187 I HA -0.117 4.079 4.170 0.042 0.000 0.251 187 I C 2.201 178.429 176.117 0.186 0.000 1.133 187 I CA 0.657 62.039 61.300 0.137 0.000 1.413 187 I CB -0.290 37.772 38.000 0.104 0.000 1.073 187 I HN 0.072 nan 8.210 nan 0.000 0.424 188 A N 0.596 123.456 122.820 0.067 0.000 1.903 188 A HA -0.301 4.044 4.320 0.042 0.000 0.219 188 A C 2.494 180.089 177.584 0.019 0.000 1.191 188 A CA 2.222 54.281 52.037 0.037 0.000 0.638 188 A CB -1.430 17.566 19.000 -0.007 0.000 0.823 188 A HN 0.521 nan 8.150 nan 0.000 0.451 189 A N -2.094 120.705 122.820 -0.036 0.000 2.131 189 A HA 0.027 4.372 4.320 0.042 0.000 0.220 189 A C 1.568 178.979 177.584 -0.290 0.000 1.158 189 A CA 1.443 53.373 52.037 -0.180 0.000 0.665 189 A CB -0.670 18.152 19.000 -0.296 0.000 0.795 189 A HN 0.530 nan 8.150 nan 0.000 0.460 190 F N -1.636 118.262 119.950 -0.087 0.000 2.695 190 F HA 0.386 4.938 4.527 0.042 0.000 0.303 190 F C 1.759 177.556 175.800 -0.005 0.000 1.091 190 F CA 0.465 58.416 58.000 -0.082 0.000 1.300 190 F CB 0.343 39.285 39.000 -0.097 0.000 1.071 190 F HN 0.316 nan 8.300 nan 0.000 0.578 191 G N 0.371 109.259 108.800 0.146 0.000 2.141 191 G HA2 -0.191 3.795 3.960 0.042 0.000 0.242 191 G HA3 -0.191 3.795 3.960 0.042 0.000 0.242 191 G C 0.680 175.650 174.900 0.117 0.000 0.982 191 G CA -0.250 44.913 45.100 0.104 0.000 0.662 191 G HN 0.710 nan 8.290 nan 0.000 0.527 192 G N -0.399 108.491 108.800 0.150 0.000 2.483 192 G HA2 0.439 4.425 3.960 0.042 0.000 0.248 192 G HA3 0.439 4.425 3.960 0.042 0.000 0.248 192 G C -0.474 174.478 174.900 0.087 0.000 1.248 192 G CA 0.316 45.490 45.100 0.124 0.000 0.838 192 G HN 0.223 nan 8.290 nan 0.000 0.566 193 D N 1.744 122.187 120.400 0.072 0.000 2.411 193 D HA 0.261 4.926 4.640 0.042 0.000 0.225 193 D C -1.166 175.176 176.300 0.071 0.000 1.156 193 D CA -2.349 51.680 54.000 0.049 0.000 0.874 193 D CB 1.707 42.519 40.800 0.021 0.000 1.034 193 D HN 0.054 nan 8.370 nan 0.000 0.502 194 P HA -0.048 nan 4.420 nan 0.000 0.239 194 P C 1.036 178.446 177.300 0.184 0.000 1.184 194 P CA 0.570 63.736 63.100 0.111 0.000 0.760 194 P CB 0.159 31.900 31.700 0.069 0.000 0.884 195 M N -1.548 118.105 119.600 0.088 0.000 2.371 195 M HA 0.109 4.614 4.480 0.042 0.000 0.246 195 M C 0.574 176.598 176.300 -0.460 0.000 1.103 195 M CA 0.341 55.617 55.300 -0.041 0.000 1.010 195 M CB 0.401 32.952 32.600 -0.082 0.000 1.457 195 M HN -0.214 nan 8.290 nan 0.000 0.486 196 S N 0.909 116.518 115.700 -0.151 0.000 2.317 196 S HA 0.368 4.864 4.470 0.042 0.000 0.144 196 S C -0.951 173.739 174.600 0.151 0.000 1.660 196 S CA -0.473 57.645 58.200 -0.138 0.000 1.273 196 S CB 0.355 63.487 63.200 -0.114 0.000 1.330 196 S HN -0.010 nan 8.310 nan 0.000 0.395 197 V N 3.752 123.946 119.914 0.466 0.000 2.347 197 V HA 0.481 4.626 4.120 0.042 0.000 0.280 197 V C 0.169 176.460 176.094 0.328 0.000 1.021 197 V CA -0.359 62.141 62.300 0.332 0.000 0.847 197 V CB 1.544 33.533 31.823 0.276 0.000 0.990 197 V HN 0.690 nan 8.190 nan 0.000 0.444 198 T N 6.685 121.379 114.554 0.234 0.000 2.767 198 T HA 0.585 4.960 4.350 0.042 0.000 0.284 198 T C -0.150 174.694 174.700 0.241 0.000 0.973 198 T CA -0.389 61.854 62.100 0.237 0.000 0.996 198 T CB 0.933 69.903 68.868 0.170 0.000 0.927 198 T HN 0.333 nan 8.240 nan 0.000 0.456 199 L N 4.784 126.122 121.223 0.192 0.000 2.326 199 L HA 0.633 4.998 4.340 0.042 0.000 0.278 199 L C -0.371 176.689 176.870 0.318 0.000 1.092 199 L CA -0.794 54.115 54.840 0.116 0.000 0.810 199 L CB 0.247 42.152 42.059 -0.256 0.000 1.153 199 L HN 0.635 nan 8.230 nan 0.000 0.439 200 F N 0.613 120.606 119.950 0.072 0.000 2.599 200 F HA 0.972 5.524 4.527 0.042 0.000 0.311 200 F C -0.265 175.457 175.800 -0.131 0.000 1.076 200 F CA -1.664 56.404 58.000 0.113 0.000 0.937 200 F CB 1.665 40.881 39.000 0.359 0.000 1.282 200 F HN 0.453 nan 8.300 nan 0.000 0.460 201 G N 1.201 109.799 108.800 -0.336 0.000 2.632 201 G HA2 0.479 4.464 3.960 0.042 0.000 0.292 201 G HA3 0.479 4.464 3.960 0.042 0.000 0.292 201 G C -2.425 172.187 174.900 -0.480 0.000 1.465 201 G CA -0.742 43.763 45.100 -0.993 0.000 0.824 201 G HN 0.885 nan 8.290 nan 0.000 0.509 205 G N 0.556 109.145 108.800 -0.352 0.000 2.446 205 G HA2 0.104 4.090 3.960 0.042 0.000 0.217 205 G HA3 0.104 4.090 3.960 0.042 0.000 0.217 205 G C 1.706 176.420 174.900 -0.311 0.000 1.168 205 G CA 2.236 47.072 45.100 -0.441 0.000 0.771 205 G HN 1.373 nan 8.290 nan 0.000 0.551 206 A N 1.250 123.965 122.820 -0.175 0.000 1.877 206 A HA 0.223 4.568 4.320 0.042 0.000 0.216 206 A C 2.842 180.402 177.584 -0.039 0.000 1.186 206 A CA 2.443 54.439 52.037 -0.069 0.000 0.620 206 A CB -0.906 18.112 19.000 0.031 0.000 0.822 206 A HN 0.865 nan 8.150 nan 0.000 0.443 207 A N -0.635 122.195 122.820 0.016 0.000 1.933 207 A HA -0.064 4.282 4.320 0.042 0.000 0.218 207 A C 2.435 180.027 177.584 0.014 0.000 1.175 207 A CA 2.078 54.127 52.037 0.019 0.000 0.628 207 A CB -0.817 18.237 19.000 0.090 0.000 0.814 207 A HN 0.462 nan 8.150 nan 0.000 0.444 208 S N -0.372 115.322 115.700 -0.010 0.000 2.348 208 S HA -0.145 4.350 4.470 0.042 0.000 0.221 208 S C 1.914 176.475 174.600 -0.066 0.000 1.033 208 S CA 1.446 59.602 58.200 -0.072 0.000 1.010 208 S CB -0.600 62.492 63.200 -0.178 0.000 0.891 208 S HN 0.350 nan 8.310 nan 0.000 0.442 209 V N 1.812 121.692 119.914 -0.058 0.000 2.324 209 V HA -0.223 3.922 4.120 0.042 0.000 0.250 209 V C 2.597 178.680 176.094 -0.018 0.000 1.060 209 V CA 2.057 64.328 62.300 -0.048 0.000 1.042 209 V CB -1.534 30.233 31.823 -0.095 0.000 0.650 209 V HN 0.614 nan 8.190 nan 0.000 0.450 210 G N -1.163 107.618 108.800 -0.031 0.000 2.422 210 G HA2 -0.267 3.718 3.960 0.042 0.000 0.218 210 G HA3 -0.267 3.718 3.960 0.042 0.000 0.218 210 G C 1.614 176.516 174.900 0.002 0.000 1.146 210 G CA 1.030 46.114 45.100 -0.026 0.000 0.769 210 G HN 0.453 nan 8.290 nan 0.000 0.547 211 M N -0.179 119.408 119.600 -0.021 0.000 2.229 211 M HA 0.035 4.540 4.480 0.042 0.000 0.264 211 M C 2.295 178.630 176.300 0.058 0.000 1.063 211 M CA 0.838 56.150 55.300 0.019 0.000 1.114 211 M CB -0.175 32.424 32.600 -0.002 0.000 1.387 211 M HN 0.208 nan 8.290 nan 0.000 0.420 212 H N -0.218 118.931 119.070 0.131 0.000 2.389 212 H HA -0.017 4.564 4.556 0.042 0.000 0.299 212 H C 2.132 177.621 175.328 0.269 0.000 1.081 212 H CA 1.481 57.611 56.048 0.138 0.000 1.345 212 H CB -0.318 29.395 29.762 -0.083 0.000 1.393 212 H HN 0.400 nan 8.280 nan 0.000 0.520 213 I N 0.721 121.515 120.570 0.373 0.000 2.264 213 I HA -0.246 3.949 4.170 0.042 0.000 0.248 213 I C 1.746 178.014 176.117 0.252 0.000 1.111 213 I CA 1.145 62.670 61.300 0.375 0.000 1.382 213 I CB -0.081 38.032 38.000 0.189 0.000 1.060 213 I HN 0.094 nan 8.210 nan 0.000 0.418 214 L N -0.780 120.545 121.223 0.170 0.000 2.653 214 L HA 0.148 4.514 4.340 0.042 0.000 0.231 214 L C 0.652 177.550 176.870 0.047 0.000 1.153 214 L CA -0.006 54.918 54.840 0.141 0.000 0.933 214 L CB 0.084 42.208 42.059 0.108 0.000 1.175 214 L HN 0.005 nan 8.230 nan 0.000 0.473 215 S N -0.571 115.127 115.700 -0.005 0.000 2.659 215 S HA 0.320 4.815 4.470 0.042 0.000 0.312 215 S C 0.627 175.148 174.600 -0.131 0.000 1.114 215 S CA -0.597 57.482 58.200 -0.201 0.000 1.063 215 S CB 1.534 64.327 63.200 -0.679 0.000 0.996 215 S HN 0.122 nan 8.310 nan 0.000 0.478 216 L N 6.614 127.766 121.223 -0.118 0.000 2.012 216 L HA 0.059 4.425 4.340 0.042 0.000 0.210 216 L C -0.921 175.909 176.870 -0.066 0.000 1.073 216 L CA 2.009 56.806 54.840 -0.071 0.000 0.748 216 L CB -0.860 41.160 42.059 -0.065 0.000 0.891 216 L HN 0.515 nan 8.230 nan 0.000 0.431 217 P HA -0.124 nan 4.420 nan 0.000 0.219 217 P C 1.625 178.926 177.300 0.002 0.000 1.146 217 P CA 1.386 64.456 63.100 -0.051 0.000 0.808 217 P CB 0.028 31.689 31.700 -0.066 0.000 0.779 218 S N -0.995 114.723 115.700 0.030 0.000 2.436 218 S HA -0.044 4.451 4.470 0.042 0.000 0.228 218 S C 1.847 176.586 174.600 0.232 0.000 1.014 218 S CA 0.607 58.927 58.200 0.201 0.000 0.950 218 S CB -0.419 63.025 63.200 0.406 0.000 0.784 218 S HN 0.074 nan 8.310 nan 0.000 0.504 219 R N 2.156 122.699 120.500 0.072 0.000 2.117 219 R HA -0.049 4.316 4.340 0.042 0.000 0.243 219 R C 2.299 178.421 176.300 -0.296 0.000 1.143 219 R CA 1.602 57.600 56.100 -0.169 0.000 0.968 219 R CB -1.542 28.683 30.300 -0.124 0.000 0.863 219 R HN 0.594 nan 8.270 nan 0.000 0.444 220 S N 0.129 115.746 115.700 -0.139 0.000 2.660 220 S HA 0.082 4.578 4.470 0.042 0.000 0.223 220 S C 1.616 176.140 174.600 -0.127 0.000 0.963 220 S CA 0.291 58.408 58.200 -0.138 0.000 0.932 220 S CB -0.246 62.915 63.200 -0.065 0.000 0.775 220 S HN 0.232 nan 8.310 nan 0.000 0.531 221 L N -0.038 121.143 121.223 -0.071 0.000 2.766 221 L HA 0.482 4.847 4.340 0.042 0.000 0.242 221 L C 0.053 176.975 176.870 0.087 0.000 1.136 221 L CA -0.316 54.549 54.840 0.041 0.000 0.933 221 L CB 0.117 42.246 42.059 0.117 0.000 1.241 221 L HN 0.509 nan 8.230 nan 0.000 0.522 222 F N -4.042 115.718 119.950 -0.317 0.000 2.789 222 F HA 0.482 5.034 4.527 0.042 0.000 0.319 222 F C 0.485 175.916 175.800 -0.614 0.000 1.168 222 F CA -1.018 56.747 58.000 -0.392 0.000 0.934 222 F CB 0.779 39.701 39.000 -0.130 0.000 1.375 222 F HN -0.154 nan 8.300 nan 0.000 0.480 223 H N -0.934 118.161 119.070 0.041 0.000 3.205 223 H HA 0.464 5.045 4.556 0.042 0.000 0.252 223 H C -0.178 175.159 175.328 0.016 0.000 1.015 223 H CA -0.038 55.965 56.048 -0.076 0.000 1.192 223 H CB 1.088 30.826 29.762 -0.041 0.000 1.474 223 H HN 0.410 nan 8.280 nan 0.000 0.484 224 R N 0.203 120.899 120.500 0.327 0.000 2.739 224 R HA 0.705 5.070 4.340 0.042 0.000 0.271 224 R C -1.488 175.093 176.300 0.467 0.000 1.010 224 R CA -0.621 55.666 56.100 0.311 0.000 0.897 224 R CB 2.974 33.322 30.300 0.081 0.000 1.236 224 R HN 0.152 nan 8.270 nan 0.000 0.466 225 A N 1.201 124.284 122.820 0.439 0.000 2.515 225 A HA 0.715 5.061 4.320 0.042 0.000 0.298 225 A C -1.466 176.234 177.584 0.193 0.000 1.059 225 A CA -0.609 51.602 52.037 0.290 0.000 0.698 225 A CB 1.963 21.097 19.000 0.224 0.000 1.289 225 A HN 0.297 nan 8.150 nan 0.000 0.404 226 V N 1.766 121.750 119.914 0.117 0.000 2.483 226 V HA 0.481 4.627 4.120 0.042 0.000 0.297 226 V C -1.135 175.006 176.094 0.079 0.000 1.027 226 V CA -0.270 62.029 62.300 -0.003 0.000 0.855 226 V CB 1.230 33.072 31.823 0.033 0.000 0.995 226 V HN 0.673 nan 8.190 nan 0.000 0.424 227 L N 5.110 126.350 121.223 0.028 0.000 2.301 227 L HA 0.491 4.856 4.340 0.042 0.000 0.278 227 L C 0.147 177.080 176.870 0.105 0.000 1.022 227 L CA 0.108 54.972 54.840 0.040 0.000 0.854 227 L CB 1.339 43.387 42.059 -0.019 0.000 1.226 227 L HN 0.626 nan 8.230 nan 0.000 0.429 228 Q N 1.978 121.900 119.800 0.204 0.000 2.322 228 Q HA 0.372 4.738 4.340 0.042 0.000 0.256 228 Q C 0.313 176.422 176.000 0.182 0.000 0.960 228 Q CA -0.423 55.566 55.803 0.311 0.000 0.934 228 Q CB 1.072 30.077 28.738 0.445 0.000 1.200 228 Q HN 0.620 nan 8.270 nan 0.000 0.435 229 S N 1.097 116.888 115.700 0.152 0.000 3.682 229 S HA -0.161 4.335 4.470 0.042 0.000 0.354 229 S C 0.001 174.745 174.600 0.239 0.000 1.034 229 S CA 0.541 58.839 58.200 0.164 0.000 1.084 229 S CB -1.132 62.138 63.200 0.117 0.000 0.903 229 S HN 1.017 nan 8.310 nan 0.000 0.470 230 G N -0.667 108.253 108.800 0.200 0.000 2.387 230 G HA2 0.634 4.619 3.960 0.042 0.000 0.294 230 G HA3 0.634 4.619 3.960 0.042 0.000 0.294 230 G C -0.968 174.013 174.900 0.135 0.000 1.509 230 G CA 0.250 45.542 45.100 0.321 0.000 0.806 230 G HN 1.020 nan 8.290 nan 0.000 0.546 231 T N -1.811 112.779 114.554 0.061 0.000 2.853 231 T HA 0.738 5.113 4.350 0.042 0.000 0.311 231 T C -2.461 172.113 174.700 -0.211 0.000 1.307 231 T CA -1.250 60.796 62.100 -0.090 0.000 1.019 231 T CB 2.859 71.654 68.868 -0.122 0.000 1.264 231 T HN 0.287 nan 8.240 nan 0.000 0.497 232 P HA -0.004 nan 4.420 nan 0.000 0.218 232 P C 0.452 177.593 177.300 -0.265 0.000 1.152 232 P CA 0.640 63.617 63.100 -0.204 0.000 0.826 232 P CB -0.188 31.445 31.700 -0.112 0.000 0.790 233 N N 0.927 119.498 118.700 -0.216 0.000 2.297 233 N HA 0.198 4.963 4.740 0.042 0.000 0.232 233 N C 0.821 176.130 175.510 -0.335 0.000 1.311 233 N CA 1.050 53.970 53.050 -0.218 0.000 0.897 233 N CB -0.258 38.144 38.487 -0.142 0.000 1.137 233 N HN 0.263 nan 8.380 nan 0.000 0.449 234 G N -0.849 107.773 108.800 -0.296 0.000 2.541 234 G HA2 -0.123 3.863 3.960 0.042 0.000 0.686 234 G HA3 -0.123 3.863 3.960 0.042 0.000 0.686 234 G C -2.104 172.561 174.900 -0.392 0.000 1.286 234 G CA -0.234 44.651 45.100 -0.359 0.000 0.894 234 G HN 0.520 nan 8.290 nan 0.000 0.575 235 P HA 0.048 nan 4.420 nan 0.000 0.226 235 P C 1.451 178.699 177.300 -0.087 0.000 1.153 235 P CA 2.265 65.245 63.100 -0.200 0.000 0.777 235 P CB -0.057 31.473 31.700 -0.284 0.000 0.794 236 W N -1.696 119.541 121.300 -0.105 0.000 2.873 236 W HA 0.544 5.229 4.660 0.042 0.000 0.282 236 W C 1.301 177.908 176.519 0.146 0.000 1.118 236 W CA 0.451 57.824 57.345 0.045 0.000 1.480 236 W CB -0.832 28.731 29.460 0.171 0.000 0.954 236 W HN -0.170 nan 8.180 nan 0.000 0.591 237 A N 2.016 124.394 122.820 -0.737 0.000 2.014 237 A HA 0.053 4.398 4.320 0.042 0.000 0.218 237 A C 1.287 178.693 177.584 -0.297 0.000 1.163 237 A CA 2.087 53.767 52.037 -0.594 0.000 0.652 237 A CB -0.913 17.517 19.000 -0.950 0.000 0.808 237 A HN 0.285 nan 8.150 nan 0.000 0.449 238 T N -3.478 110.921 114.554 -0.258 0.000 2.887 238 T HA 0.627 5.003 4.350 0.042 0.000 0.292 238 T C -0.588 174.030 174.700 -0.137 0.000 1.087 238 T CA -0.122 61.848 62.100 -0.216 0.000 1.009 238 T CB 1.480 70.231 68.868 -0.195 0.000 1.203 238 T HN 0.889 nan 8.240 nan 0.000 0.518 239 V N -1.085 118.756 119.914 -0.121 0.000 3.102 239 V HA 0.905 5.051 4.120 0.042 0.000 0.312 239 V C 0.202 176.254 176.094 -0.070 0.000 1.135 239 V CA -0.909 61.340 62.300 -0.084 0.000 1.022 239 V CB 1.347 33.121 31.823 -0.082 0.000 1.056 239 V HN 1.350 nan 8.190 nan 0.000 0.436 240 S N 1.357 117.025 115.700 -0.054 0.000 2.617 240 S HA 0.658 5.153 4.470 0.042 0.000 0.269 240 S C 1.400 175.980 174.600 -0.034 0.000 1.292 240 S CA 0.036 58.212 58.200 -0.041 0.000 1.010 240 S CB 1.295 64.474 63.200 -0.035 0.000 0.944 240 S HN 1.924 nan 8.310 nan 0.000 0.536 241 A N 2.460 125.266 122.820 -0.023 0.000 1.869 241 A HA -0.010 4.335 4.320 0.042 0.000 0.218 241 A C 2.300 179.873 177.584 -0.018 0.000 1.203 241 A CA 2.256 54.283 52.037 -0.016 0.000 0.638 241 A CB -2.066 16.928 19.000 -0.010 0.000 0.831 241 A HN 1.292 nan 8.150 nan 0.000 0.450 242 G N -0.588 108.200 108.800 -0.020 0.000 2.513 242 G HA2 -0.349 3.636 3.960 0.042 0.000 0.219 242 G HA3 -0.349 3.636 3.960 0.042 0.000 0.219 242 G C 1.483 176.368 174.900 -0.025 0.000 1.160 242 G CA 1.684 46.772 45.100 -0.020 0.000 0.767 242 G HN 0.650 nan 8.290 nan 0.000 0.571 243 E N 0.631 120.812 120.200 -0.032 0.000 2.216 243 E HA 0.248 4.623 4.350 0.042 0.000 0.192 243 E C 2.550 179.118 176.600 -0.053 0.000 0.988 243 E CA 1.199 57.573 56.400 -0.043 0.000 0.834 243 E CB -0.385 29.286 29.700 -0.049 0.000 0.772 243 E HN 0.309 nan 8.360 nan 0.000 0.479 244 A N 0.952 123.748 122.820 -0.041 0.000 1.872 244 A HA -0.117 4.228 4.320 0.042 0.000 0.214 244 A C 2.270 179.852 177.584 -0.002 0.000 1.187 244 A CA 1.495 53.517 52.037 -0.024 0.000 0.614 244 A CB -0.582 18.417 19.000 -0.001 0.000 0.826 244 A HN 0.262 nan 8.150 nan 0.000 0.442 245 R N -0.391 120.103 120.500 -0.009 0.000 2.103 245 R HA -0.187 4.178 4.340 0.042 0.000 0.242 245 R C 2.447 178.742 176.300 -0.009 0.000 1.142 245 R CA 1.849 57.944 56.100 -0.010 0.000 0.960 245 R CB -0.302 29.990 30.300 -0.014 0.000 0.858 245 R HN 0.550 nan 8.270 nan 0.000 0.439 246 R N 0.363 120.853 120.500 -0.017 0.000 2.066 246 R HA -0.110 4.255 4.340 0.042 0.000 0.232 246 R C 2.223 178.516 176.300 -0.011 0.000 1.131 246 R CA 1.636 57.726 56.100 -0.017 0.000 0.955 246 R CB -0.104 30.181 30.300 -0.025 0.000 0.851 246 R HN 0.270 nan 8.270 nan 0.000 0.432 247 R N -0.048 120.434 120.500 -0.029 0.000 2.081 247 R HA -0.066 4.300 4.340 0.042 0.000 0.235 247 R C 2.356 178.723 176.300 0.112 0.000 1.131 247 R CA 1.294 57.372 56.100 -0.037 0.000 0.960 247 R CB -0.345 29.808 30.300 -0.245 0.000 0.856 247 R HN 0.253 nan 8.270 nan 0.000 0.436 248 A N 1.248 124.151 122.820 0.138 0.000 1.841 248 A HA -0.181 4.164 4.320 0.042 0.000 0.214 248 A C 2.364 179.964 177.584 0.025 0.000 1.195 248 A CA 2.125 54.234 52.037 0.121 0.000 0.611 248 A CB -1.192 17.819 19.000 0.017 0.000 0.835 248 A HN 0.493 nan 8.150 nan 0.000 0.443 249 T N -1.660 112.895 114.554 0.002 0.000 2.849 249 T HA -0.166 4.209 4.350 0.042 0.000 0.270 249 T C 1.667 176.366 174.700 -0.002 0.000 1.066 249 T CA 1.631 63.724 62.100 -0.013 0.000 1.130 249 T CB -0.408 68.451 68.868 -0.014 0.000 0.864 249 T HN 0.278 nan 8.240 nan 0.000 0.481 250 L N 0.307 121.541 121.223 0.018 0.000 2.131 250 L HA 0.380 4.746 4.340 0.042 0.000 0.206 250 L C 2.225 179.113 176.870 0.029 0.000 1.087 250 L CA 1.202 56.054 54.840 0.020 0.000 0.767 250 L CB -1.051 41.024 42.059 0.026 0.000 0.917 250 L HN 0.314 nan 8.230 nan 0.000 0.441 251 L N 0.126 121.392 121.223 0.073 0.000 2.046 251 L HA -0.041 4.325 4.340 0.042 0.000 0.208 251 L C 2.494 179.358 176.870 -0.009 0.000 1.077 251 L CA 1.938 56.822 54.840 0.073 0.000 0.747 251 L CB -0.839 41.311 42.059 0.151 0.000 0.896 251 L HN 0.269 nan 8.230 nan 0.000 0.432 252 A N -0.130 122.677 122.820 -0.023 0.000 1.908 252 A HA -0.280 4.065 4.320 0.042 0.000 0.218 252 A C 2.532 180.093 177.584 -0.039 0.000 1.181 252 A CA 1.984 53.997 52.037 -0.040 0.000 0.627 252 A CB -0.711 18.262 19.000 -0.046 0.000 0.818 252 A HN 0.554 nan 8.150 nan 0.000 0.445 253 R N -0.348 120.131 120.500 -0.036 0.000 2.066 253 R HA -0.023 4.342 4.340 0.042 0.000 0.232 253 R C 1.874 178.128 176.300 -0.076 0.000 1.131 253 R CA 1.464 57.539 56.100 -0.042 0.000 0.955 253 R CB -0.432 29.850 30.300 -0.029 0.000 0.851 253 R HN 0.491 nan 8.270 nan 0.000 0.432 254 L N 1.064 122.216 121.223 -0.119 0.000 2.349 254 L HA -0.093 4.272 4.340 0.042 0.000 0.220 254 L C 1.542 178.217 176.870 -0.326 0.000 1.130 254 L CA 0.701 55.375 54.840 -0.277 0.000 0.791 254 L CB 0.041 41.856 42.059 -0.406 0.000 0.918 254 L HN 0.232 nan 8.230 nan 0.000 0.444 255 V N -3.934 115.889 119.914 -0.152 0.000 3.121 255 V HA 0.526 4.671 4.120 0.042 0.000 0.344 255 V C 0.908 176.992 176.094 -0.018 0.000 1.390 255 V CA -0.065 62.203 62.300 -0.053 0.000 1.177 255 V CB -0.334 31.499 31.823 0.016 0.000 1.163 255 V HN 0.335 nan 8.190 nan 0.000 0.484 256 G N 0.139 108.921 108.800 -0.030 0.000 2.351 256 G HA2 -0.210 3.775 3.960 0.042 0.000 0.297 256 G HA3 -0.210 3.775 3.960 0.042 0.000 0.297 256 G C -0.074 174.822 174.900 -0.007 0.000 1.054 256 G CA 0.238 45.330 45.100 -0.012 0.000 1.123 256 G HN 0.820 nan 8.290 nan 0.000 0.512 266 D N 1.467 121.861 120.400 -0.010 0.000 2.092 266 D HA -0.115 4.550 4.640 0.042 0.000 0.193 266 D C 1.372 177.664 176.300 -0.012 0.000 0.994 266 D CA 1.977 55.968 54.000 -0.017 0.000 0.828 266 D CB 0.015 40.805 40.800 -0.016 0.000 0.963 266 D HN 0.634 nan 8.370 nan 0.000 0.450 267 T N 1.281 115.833 114.554 -0.002 0.000 2.597 267 T HA -0.215 4.160 4.350 0.042 0.000 0.267 267 T C 1.833 176.538 174.700 0.009 0.000 1.053 267 T CA 1.580 63.685 62.100 0.007 0.000 1.165 267 T CB -0.425 68.449 68.868 0.010 0.000 0.863 267 T HN 0.308 nan 8.240 nan 0.000 0.427 268 E N 0.400 120.603 120.200 0.005 0.000 2.085 268 E HA -0.113 4.263 4.350 0.042 0.000 0.194 268 E C 2.236 178.838 176.600 0.003 0.000 0.994 268 E CA 0.925 57.329 56.400 0.006 0.000 0.801 268 E CB -0.310 29.391 29.700 0.003 0.000 0.743 268 E HN 0.344 nan 8.360 nan 0.000 0.453 269 L N 0.740 121.958 121.223 -0.007 0.000 2.017 269 L HA -0.212 4.154 4.340 0.042 0.000 0.208 269 L C 2.191 179.050 176.870 -0.018 0.000 1.073 269 L CA 1.339 56.168 54.840 -0.018 0.000 0.745 269 L CB -0.083 41.956 42.059 -0.034 0.000 0.894 269 L HN 0.119 nan 8.230 nan 0.000 0.432 270 I N -0.691 119.869 120.570 -0.016 0.000 2.202 270 I HA -0.254 3.941 4.170 0.042 0.000 0.242 270 I C 2.722 178.889 176.117 0.083 0.000 1.091 270 I CA 1.017 62.325 61.300 0.014 0.000 1.368 270 I CB -0.661 37.353 38.000 0.023 0.000 1.058 270 I HN 0.314 nan 8.210 nan 0.000 0.410 271 A N 0.085 122.940 122.820 0.058 0.000 1.915 271 A HA -0.384 3.961 4.320 0.042 0.000 0.220 271 A C 2.557 180.175 177.584 0.056 0.000 1.198 271 A CA 2.441 54.512 52.037 0.056 0.000 0.647 271 A CB -1.637 17.384 19.000 0.034 0.000 0.825 271 A HN 0.652 nan 8.150 nan 0.000 0.456 272 c N -0.708 117.917 118.600 0.041 0.000 2.413 272 c HA -0.082 4.513 4.570 0.042 0.000 0.276 272 c C 2.635 176.758 174.090 0.055 0.000 1.236 272 c CA 1.276 57.627 56.329 0.036 0.000 1.735 272 c CB -1.634 40.888 42.510 0.020 0.000 2.031 272 c HN 0.600 nan 8.230 nan 0.000 0.474 273 L N 0.236 121.506 121.223 0.077 0.000 2.131 273 L HA -0.111 4.254 4.340 0.042 0.000 0.210 273 L C 2.936 179.913 176.870 0.179 0.000 1.092 273 L CA 1.416 56.333 54.840 0.128 0.000 0.759 273 L CB -0.626 41.513 42.059 0.133 0.000 0.903 273 L HN 0.361 nan 8.230 nan 0.000 0.435 274 R N -0.557 120.045 120.500 0.171 0.000 2.285 274 R HA -0.103 4.262 4.340 0.042 0.000 0.213 274 R C 2.038 178.353 176.300 0.026 0.000 1.068 274 R CA 1.585 57.729 56.100 0.074 0.000 1.004 274 R CB -0.366 29.970 30.300 0.061 0.000 0.873 274 R HN 0.499 nan 8.270 nan 0.000 0.467 275 T N -1.844 112.732 114.554 0.038 0.000 3.081 275 T HA 0.118 4.493 4.350 0.042 0.000 0.250 275 T C 0.820 175.532 174.700 0.021 0.000 1.100 275 T CA -0.154 61.959 62.100 0.021 0.000 1.038 275 T CB 0.217 69.099 68.868 0.024 0.000 0.962 275 T HN -0.105 nan 8.240 nan 0.000 0.516 276 R N 2.771 123.290 120.500 0.032 0.000 2.254 276 R HA 0.364 4.729 4.340 0.042 0.000 0.318 276 R C -2.705 173.606 176.300 0.018 0.000 1.031 276 R CA -2.487 53.633 56.100 0.033 0.000 0.905 276 R CB 0.243 30.573 30.300 0.050 0.000 1.050 276 R HN 0.255 nan 8.270 nan 0.000 0.456 277 P HA -0.142 nan 4.420 nan 0.000 0.263 277 P C 0.573 177.851 177.300 -0.036 0.000 1.168 277 P CA 0.413 63.498 63.100 -0.026 0.000 0.759 277 P CB 0.443 32.139 31.700 -0.006 0.000 0.782 278 A N 3.702 126.426 122.820 -0.160 0.000 1.896 278 A HA -0.310 4.035 4.320 0.042 0.000 0.220 278 A C 2.201 179.765 177.584 -0.033 0.000 1.206 278 A CA 2.437 54.351 52.037 -0.205 0.000 0.647 278 A CB -1.299 17.014 19.000 -1.146 0.000 0.828 278 A HN 0.566 nan 8.150 nan 0.000 0.455 279 Q N -0.384 119.367 119.800 -0.081 0.000 2.291 279 Q HA -0.129 4.236 4.340 0.042 0.000 0.205 279 Q C 1.260 177.363 176.000 0.172 0.000 0.970 279 Q CA 1.692 57.609 55.803 0.190 0.000 0.876 279 Q CB -0.295 28.583 28.738 0.233 0.000 0.935 279 Q HN 0.649 nan 8.270 nan 0.000 0.455 280 D N -0.476 119.994 120.400 0.117 0.000 2.104 280 D HA -0.169 4.497 4.640 0.042 0.000 0.194 280 D C 1.502 177.899 176.300 0.161 0.000 0.994 280 D CA 0.989 55.070 54.000 0.136 0.000 0.830 280 D CB -0.114 40.752 40.800 0.110 0.000 0.959 280 D HN 0.225 nan 8.370 nan 0.000 0.452 281 L N 0.377 121.665 121.223 0.108 0.000 1.989 281 L HA -0.138 4.228 4.340 0.042 0.000 0.211 281 L C 2.605 179.518 176.870 0.073 0.000 1.071 281 L CA 1.005 55.864 54.840 0.032 0.000 0.749 281 L CB -1.111 40.849 42.059 -0.164 0.000 0.890 281 L HN -0.026 nan 8.230 nan 0.000 0.431 282 V N -0.243 119.778 119.914 0.179 0.000 2.332 282 V HA -0.315 3.830 4.120 0.042 0.000 0.248 282 V C 2.247 178.452 176.094 0.185 0.000 1.055 282 V CA 1.700 64.152 62.300 0.253 0.000 1.038 282 V CB -0.639 31.476 31.823 0.487 0.000 0.651 282 V HN 0.411 nan 8.190 nan 0.000 0.450 283 D N -0.714 119.773 120.400 0.146 0.000 2.170 283 D HA -0.195 4.470 4.640 0.042 0.000 0.193 283 D C 1.795 177.972 176.300 -0.206 0.000 1.004 283 D CA 1.611 55.609 54.000 -0.003 0.000 0.860 283 D CB -0.236 40.525 40.800 -0.065 0.000 0.931 283 D HN 0.534 nan 8.370 nan 0.000 0.448 284 H N -0.540 118.553 119.070 0.038 0.000 2.592 284 H HA 0.191 4.772 4.556 0.042 0.000 0.279 284 H C 1.394 176.698 175.328 -0.041 0.000 1.089 284 H CA -0.113 55.935 56.048 -0.000 0.000 1.150 284 H CB 0.625 30.474 29.762 0.144 0.000 1.575 284 H HN 0.293 nan 8.280 nan 0.000 0.547 285 E N 0.313 120.507 120.200 -0.010 0.000 2.058 285 E HA -0.190 4.185 4.350 0.042 0.000 0.194 285 E C 0.887 177.366 176.600 -0.202 0.000 0.997 285 E CA 1.109 57.470 56.400 -0.065 0.000 0.801 285 E CB 0.075 29.579 29.700 -0.327 0.000 0.746 285 E HN 0.477 nan 8.360 nan 0.000 0.450 286 W N -0.538 120.652 121.300 -0.183 0.000 3.077 286 W HA 0.008 4.694 4.660 0.043 0.000 0.245 286 W C 1.409 177.898 176.519 -0.051 0.000 1.316 286 W CA 0.268 57.496 57.345 -0.196 0.000 1.537 286 W CB 0.094 29.370 29.460 -0.306 0.000 1.131 286 W HN 0.241 nan 8.180 nan 0.000 0.695 287 H N -0.871 118.337 119.070 0.230 0.000 2.539 287 H HA 0.014 4.595 4.556 0.042 0.000 0.269 287 H C 1.856 177.252 175.328 0.114 0.000 0.980 287 H CA 0.616 56.775 56.048 0.185 0.000 1.152 287 H CB 0.279 30.184 29.762 0.238 0.000 1.407 287 H HN 0.085 nan 8.280 nan 0.000 0.564 288 V N -1.106 118.905 119.914 0.161 0.000 3.444 288 V HA 0.216 4.362 4.120 0.042 0.000 0.308 288 V C 0.318 176.399 176.094 -0.021 0.000 1.371 288 V CA -0.173 62.157 62.300 0.049 0.000 1.141 288 V CB -0.738 31.081 31.823 -0.006 0.000 1.037 288 V HN 0.125 nan 8.190 nan 0.000 0.433 289 L N 2.339 123.577 121.223 0.025 0.000 2.380 289 L HA 0.328 4.693 4.340 0.042 0.000 0.273 289 L C -0.257 176.624 176.870 0.017 0.000 1.138 289 L CA -1.290 53.555 54.840 0.008 0.000 0.832 289 L CB 0.965 43.053 42.059 0.048 0.000 1.124 289 L HN 0.113 nan 8.230 nan 0.000 0.454 290 P HA -0.125 nan 4.420 nan 0.000 0.218 290 P C -0.101 177.208 177.300 0.014 0.000 1.148 290 P CA 1.246 64.347 63.100 0.003 0.000 0.822 290 P CB 0.377 32.073 31.700 -0.007 0.000 0.784 291 Q N -1.362 118.450 119.800 0.019 0.000 2.484 291 Q HA 0.337 4.703 4.340 0.042 0.000 0.285 291 Q C -0.521 175.497 176.000 0.030 0.000 1.097 291 Q CA -0.743 55.073 55.803 0.022 0.000 0.802 291 Q CB 1.600 30.349 28.738 0.017 0.000 1.444 291 Q HN -0.036 nan 8.270 nan 0.000 0.429 292 E N 0.642 120.859 120.200 0.028 0.000 2.366 292 E HA 0.278 4.653 4.350 0.042 0.000 0.266 292 E C -0.955 175.660 176.600 0.024 0.000 1.015 292 E CA 0.321 56.739 56.400 0.029 0.000 0.906 292 E CB 0.423 30.138 29.700 0.026 0.000 0.979 292 E HN 0.495 nan 8.360 nan 0.000 0.443 293 S N 3.416 119.128 115.700 0.020 0.000 2.588 293 S HA 0.580 5.076 4.470 0.042 0.000 0.275 293 S C -0.624 173.977 174.600 0.002 0.000 1.130 293 S CA -0.821 57.385 58.200 0.010 0.000 0.855 293 S CB 1.128 64.327 63.200 -0.001 0.000 1.116 293 S HN 0.572 nan 8.310 nan 0.000 0.472 294 I N -1.727 118.848 120.570 0.008 0.000 2.892 294 I HA 0.716 4.912 4.170 0.042 0.000 0.306 294 I C -0.348 175.759 176.117 -0.017 0.000 1.078 294 I CA -1.114 60.193 61.300 0.012 0.000 1.032 294 I CB 0.917 38.974 38.000 0.095 0.000 1.229 294 I HN 0.607 nan 8.210 nan 0.000 0.435 295 F N 1.287 121.065 119.950 -0.287 0.000 3.090 295 F HA -0.214 4.338 4.527 0.042 0.000 0.282 295 F C 0.023 175.345 175.800 -0.797 0.000 0.923 295 F CA 0.890 58.520 58.000 -0.615 0.000 0.977 295 F CB -0.774 37.799 39.000 -0.711 0.000 0.954 295 F HN 0.714 nan 8.300 nan 0.000 0.695 296 R N 0.170 120.200 120.500 -0.783 0.000 2.673 296 R HA 0.744 5.109 4.340 0.042 0.000 0.281 296 R C -1.576 174.273 176.300 -0.752 0.000 0.991 296 R CA -0.436 55.309 56.100 -0.592 0.000 0.896 296 R CB 1.203 31.406 30.300 -0.162 0.000 1.201 296 R HN -0.033 nan 8.270 nan 0.000 0.457 297 F N 0.669 120.744 119.950 0.208 0.000 2.569 297 F HA 0.328 4.880 4.527 0.042 0.000 0.312 297 F C 1.015 176.782 175.800 -0.055 0.000 1.109 297 F CA -0.834 57.245 58.000 0.132 0.000 0.919 297 F CB 2.415 41.581 39.000 0.277 0.000 1.211 297 F HN 0.479 nan 8.300 nan 0.000 0.446 298 S N 0.970 116.611 115.700 -0.099 0.000 2.356 298 S HA -0.045 4.450 4.470 0.042 0.000 0.223 298 S C 0.028 174.215 174.600 -0.689 0.000 1.032 298 S CA 1.231 59.159 58.200 -0.453 0.000 1.005 298 S CB -0.214 62.646 63.200 -0.566 0.000 0.867 298 S HN 0.374 nan 8.310 nan 0.000 0.449 299 F N 1.633 121.606 119.950 0.037 0.000 2.430 299 F HA 0.565 5.117 4.527 0.042 0.000 0.362 299 F C -0.133 175.696 175.800 0.049 0.000 1.103 299 F CA -0.959 57.085 58.000 0.074 0.000 1.045 299 F CB 1.414 40.479 39.000 0.108 0.000 1.276 299 F HN -0.087 nan 8.300 nan 0.000 0.444 300 V N 0.641 120.525 119.914 -0.050 0.000 3.160 300 V HA 0.764 4.909 4.120 0.042 0.000 0.310 300 V C -2.879 172.841 176.094 -0.623 0.000 1.181 300 V CA -3.336 58.613 62.300 -0.585 0.000 1.047 300 V CB 2.038 33.687 31.823 -0.289 0.000 1.068 300 V HN 0.238 nan 8.190 nan 0.000 0.441 301 P HA 0.119 nan 4.420 nan 0.000 0.266 301 P C -0.770 176.374 177.300 -0.259 0.000 1.180 301 P CA 0.481 63.267 63.100 -0.524 0.000 0.765 301 P CB 0.481 31.797 31.700 -0.640 0.000 0.806 302 V N 4.339 124.182 119.914 -0.118 0.000 2.604 302 V HA 0.264 4.409 4.120 0.042 0.000 0.305 302 V C -0.551 175.519 176.094 -0.040 0.000 1.043 302 V CA -0.953 61.308 62.300 -0.065 0.000 0.888 302 V CB 2.237 34.051 31.823 -0.015 0.000 0.995 302 V HN 0.131 nan 8.190 nan 0.000 0.429 303 V N 7.231 127.122 119.914 -0.038 0.000 2.403 303 V HA 0.201 4.347 4.120 0.042 0.000 0.265 303 V C 0.712 176.809 176.094 0.005 0.000 1.034 303 V CA 0.473 62.766 62.300 -0.013 0.000 1.036 303 V CB 0.551 32.360 31.823 -0.023 0.000 1.032 303 V HN 1.072 nan 8.190 nan 0.000 0.478 304 D N 2.744 123.162 120.400 0.030 0.000 2.407 304 D HA 0.170 4.835 4.640 0.042 0.000 0.208 304 D C 1.528 177.849 176.300 0.034 0.000 1.083 304 D CA 0.632 54.653 54.000 0.035 0.000 0.844 304 D CB 0.505 41.339 40.800 0.056 0.000 0.967 304 D HN 0.715 nan 8.370 nan 0.000 0.506 305 G N 0.609 109.429 108.800 0.033 0.000 2.184 305 G HA2 -0.359 3.626 3.960 0.042 0.000 0.264 305 G HA3 -0.359 3.626 3.960 0.042 0.000 0.264 305 G C 0.607 175.527 174.900 0.033 0.000 0.975 305 G CA 0.834 45.949 45.100 0.025 0.000 0.642 305 G HN 0.525 nan 8.290 nan 0.000 0.536 306 D N -1.198 119.238 120.400 0.060 0.000 2.928 306 D HA 0.252 4.917 4.640 0.042 0.000 0.265 306 D C 1.877 178.232 176.300 0.091 0.000 1.542 306 D CA 0.480 54.523 54.000 0.071 0.000 1.133 306 D CB -0.510 40.344 40.800 0.089 0.000 1.057 306 D HN 0.118 nan 8.370 nan 0.000 0.331 307 F N 0.980 120.936 119.950 0.009 0.000 2.095 307 F HA 0.140 4.692 4.527 0.042 0.000 0.298 307 F C 0.581 176.379 175.800 -0.002 0.000 1.104 307 F CA 1.157 59.162 58.000 0.009 0.000 1.232 307 F CB 0.144 39.148 39.000 0.007 0.000 0.987 307 F HN -0.031 nan 8.300 nan 0.000 0.475 308 L N 0.863 122.234 121.223 0.247 0.000 2.295 308 L HA 0.198 4.564 4.340 0.042 0.000 0.281 308 L C 1.354 178.259 176.870 0.058 0.000 1.018 308 L CA -0.221 54.696 54.840 0.128 0.000 0.841 308 L CB 1.418 43.550 42.059 0.122 0.000 1.218 308 L HN 0.077 nan 8.230 nan 0.000 0.424 309 S N 0.406 116.120 115.700 0.023 0.000 2.474 309 S HA -0.016 4.479 4.470 0.042 0.000 0.235 309 S C 0.454 175.058 174.600 0.007 0.000 0.997 309 S CA 0.499 58.704 58.200 0.009 0.000 0.949 309 S CB 0.129 63.324 63.200 -0.007 0.000 0.766 309 S HN 0.727 nan 8.310 nan 0.000 0.517 310 D N 0.014 120.419 120.400 0.008 0.000 2.779 310 D HA 0.267 4.932 4.640 0.042 0.000 0.331 310 D C -0.963 175.335 176.300 -0.003 0.000 1.331 310 D CA 0.039 54.039 54.000 0.000 0.000 0.866 310 D CB 1.283 42.081 40.800 -0.003 0.000 1.409 310 D HN 0.218 nan 8.370 nan 0.000 0.486 311 T N -0.822 113.724 114.554 -0.013 0.000 2.932 311 T HA 0.263 4.638 4.350 0.042 0.000 0.312 311 T C -1.824 172.863 174.700 -0.021 0.000 1.071 311 T CA -0.736 61.348 62.100 -0.027 0.000 1.128 311 T CB 1.045 69.892 68.868 -0.035 0.000 0.984 311 T HN 0.100 nan 8.240 nan 0.000 0.549 312 P HA -0.104 nan 4.420 nan 0.000 0.218 312 P C 1.498 178.786 177.300 -0.019 0.000 1.148 312 P CA 0.865 63.947 63.100 -0.030 0.000 0.822 312 P CB 0.107 31.761 31.700 -0.078 0.000 0.784 313 E N -0.220 119.959 120.200 -0.035 0.000 2.017 313 E HA -0.219 4.157 4.350 0.042 0.000 0.193 313 E C 1.978 178.580 176.600 0.003 0.000 0.997 313 E CA 1.436 57.823 56.400 -0.021 0.000 0.804 313 E CB -0.509 29.171 29.700 -0.033 0.000 0.757 313 E HN 0.054 nan 8.360 nan 0.000 0.448 314 A N 1.325 124.144 122.820 -0.002 0.000 1.892 314 A HA -0.201 4.144 4.320 0.042 0.000 0.218 314 A C 2.299 179.896 177.584 0.021 0.000 1.188 314 A CA 1.464 53.504 52.037 0.004 0.000 0.631 314 A CB -0.820 18.177 19.000 -0.004 0.000 0.822 314 A HN 0.315 nan 8.150 nan 0.000 0.447 315 L N -0.204 121.038 121.223 0.032 0.000 2.141 315 L HA -0.140 4.225 4.340 0.042 0.000 0.209 315 L C 2.553 179.506 176.870 0.139 0.000 1.094 315 L CA 1.480 56.356 54.840 0.061 0.000 0.763 315 L CB -0.534 41.564 42.059 0.064 0.000 0.908 315 L HN 0.696 nan 8.230 nan 0.000 0.437 316 I N -3.422 117.239 120.570 0.153 0.000 2.617 316 I HA -0.100 4.095 4.170 0.042 0.000 0.256 316 I C 1.815 178.054 176.117 0.203 0.000 1.167 316 I CA 1.022 62.474 61.300 0.253 0.000 1.469 316 I CB -0.420 37.653 38.000 0.121 0.000 1.098 316 I HN 0.162 nan 8.210 nan 0.000 0.436 317 N N 1.453 120.211 118.700 0.098 0.000 2.396 317 N HA -0.089 4.676 4.740 0.042 0.000 0.180 317 N C 1.749 177.278 175.510 0.033 0.000 1.028 317 N CA 1.960 55.048 53.050 0.063 0.000 0.893 317 N CB -0.127 38.379 38.487 0.032 0.000 0.967 317 N HN 0.696 nan 8.380 nan 0.000 0.440 318 T N -4.246 110.310 114.554 0.004 0.000 3.004 318 T HA 0.300 4.675 4.350 0.042 0.000 0.266 318 T C 0.940 175.554 174.700 -0.144 0.000 0.986 318 T CA -0.284 61.785 62.100 -0.052 0.000 0.902 318 T CB 0.168 69.010 68.868 -0.043 0.000 1.118 318 T HN 0.020 nan 8.240 nan 0.000 0.522 319 G N 0.838 109.500 108.800 -0.230 0.000 2.634 319 G HA2 0.434 4.419 3.960 0.042 0.000 0.255 319 G HA3 0.434 4.419 3.960 0.042 0.000 0.255 319 G C -1.170 173.235 174.900 -0.825 0.000 1.205 319 G CA -0.356 44.397 45.100 -0.577 0.000 0.884 319 G HN 0.350 nan 8.290 nan 0.000 0.549 320 D N -0.748 119.154 120.400 -0.829 0.000 2.381 320 D HA 0.450 5.115 4.640 0.042 0.000 0.235 320 D C -0.683 175.273 176.300 -0.572 0.000 1.068 320 D CA -0.639 53.018 54.000 -0.571 0.000 0.832 320 D CB 0.746 41.386 40.800 -0.265 0.000 1.101 320 D HN 0.073 nan 8.370 nan 0.000 0.515 321 F N 2.451 122.399 119.950 -0.003 0.000 2.908 321 F HA 0.243 4.796 4.527 0.042 0.000 0.328 321 F C 1.839 177.639 175.800 0.000 0.000 1.211 321 F CA -0.498 57.502 58.000 0.001 0.000 1.291 321 F CB 0.360 39.368 39.000 0.015 0.000 0.962 321 F HN 0.342 nan 8.300 nan 0.000 0.505 322 Q N 0.162 120.016 119.800 0.091 0.000 1.993 322 Q HA -0.142 4.223 4.340 0.042 0.000 0.202 322 Q C 0.392 176.426 176.000 0.058 0.000 0.984 322 Q CA 1.426 57.263 55.803 0.057 0.000 0.837 322 Q CB -0.056 28.690 28.738 0.013 0.000 0.902 322 Q HN 0.314 nan 8.270 nan 0.000 0.423 323 D N 0.465 120.891 120.400 0.045 0.000 2.881 323 D HA 0.192 4.857 4.640 0.042 0.000 0.240 323 D C -0.735 175.588 176.300 0.039 0.000 1.249 323 D CA 0.037 54.055 54.000 0.030 0.000 0.839 323 D CB -0.180 40.625 40.800 0.008 0.000 1.042 323 D HN -0.026 nan 8.370 nan 0.000 0.475 324 L N 0.854 122.120 121.223 0.072 0.000 2.365 324 L HA 0.387 4.752 4.340 0.042 0.000 0.273 324 L C -1.006 175.920 176.870 0.094 0.000 1.000 324 L CA -0.557 54.333 54.840 0.083 0.000 0.819 324 L CB 2.005 44.138 42.059 0.123 0.000 1.284 324 L HN -0.214 nan 8.230 nan 0.000 0.418 325 Q N 3.051 122.919 119.800 0.115 0.000 2.337 325 Q HA 0.801 5.166 4.340 0.042 0.000 0.266 325 Q C -1.423 174.804 176.000 0.378 0.000 1.023 325 Q CA -0.482 55.441 55.803 0.201 0.000 0.829 325 Q CB 2.709 31.517 28.738 0.117 0.000 1.306 325 Q HN 0.459 nan 8.270 nan 0.000 0.449 326 V N 2.549 122.677 119.914 0.357 0.000 2.760 326 V HA 0.475 4.621 4.120 0.042 0.000 0.309 326 V C -1.559 174.512 176.094 -0.040 0.000 1.077 326 V CA -0.831 61.582 62.300 0.188 0.000 0.910 326 V CB 2.068 33.906 31.823 0.026 0.000 1.008 326 V HN 0.629 nan 8.190 nan 0.000 0.424 327 L N 7.378 128.350 121.223 -0.418 0.000 2.316 327 L HA 0.848 5.213 4.340 0.042 0.000 0.280 327 L C -0.461 176.235 176.870 -0.289 0.000 1.006 327 L CA -0.096 54.391 54.840 -0.589 0.000 0.836 327 L CB 1.503 42.744 42.059 -1.363 0.000 1.221 327 L HN 0.566 nan 8.230 nan 0.000 0.418 328 V N 2.102 121.900 119.914 -0.194 0.000 2.960 328 V HA 1.134 5.279 4.120 0.042 0.000 0.315 328 V C 0.064 175.839 176.094 -0.532 0.000 1.087 328 V CA 0.129 62.292 62.300 -0.228 0.000 0.982 328 V CB 1.134 32.821 31.823 -0.227 0.000 1.039 328 V HN 0.990 nan 8.190 nan 0.000 0.437 329 G N 0.530 108.902 108.800 -0.714 0.000 2.488 329 G HA2 0.766 4.752 3.960 0.042 0.000 0.301 329 G HA3 0.766 4.752 3.960 0.042 0.000 0.301 329 G C -1.194 173.412 174.900 -0.491 0.000 1.339 329 G CA 0.068 44.381 45.100 -1.312 0.000 0.803 329 G HN 2.009 nan 8.290 nan 0.000 0.482 330 V N -2.586 117.203 119.914 -0.208 0.000 3.181 330 V HA 0.918 5.063 4.120 0.042 0.000 0.308 330 V C 0.236 176.525 176.094 0.324 0.000 1.214 330 V CA -0.402 61.962 62.300 0.107 0.000 1.053 330 V CB 1.062 32.910 31.823 0.041 0.000 1.069 330 V HN 1.905 nan 8.190 nan 0.000 0.441 331 V N -0.672 119.422 119.914 0.300 0.000 3.109 331 V HA 0.576 4.722 4.120 0.042 0.000 0.317 331 V C 1.366 177.633 176.094 0.289 0.000 1.074 331 V CA 0.102 62.619 62.300 0.362 0.000 1.033 331 V CB 1.319 33.334 31.823 0.320 0.000 1.111 331 V HN 1.102 nan 8.190 nan 0.000 0.458 332 K N -0.189 120.384 120.400 0.289 0.000 2.211 332 K HA -0.048 4.297 4.320 0.042 0.000 0.203 332 K C 0.458 177.178 176.600 0.200 0.000 1.050 332 K CA 1.794 58.212 56.287 0.218 0.000 0.945 332 K CB 0.096 32.707 32.500 0.185 0.000 0.732 332 K HN 0.895 nan 8.250 nan 0.000 0.451 333 D N 0.948 121.477 120.400 0.214 0.000 2.963 333 D HA 0.021 4.686 4.640 0.042 0.000 0.361 333 D C 0.135 176.576 176.300 0.235 0.000 1.317 333 D CA -0.071 54.049 54.000 0.201 0.000 0.832 333 D CB 1.082 41.981 40.800 0.165 0.000 1.135 333 D HN 0.139 nan 8.370 nan 0.000 0.476 334 E N 0.474 120.818 120.200 0.240 0.000 2.169 334 E HA -0.178 4.197 4.350 0.042 0.000 0.202 334 E C 1.890 178.688 176.600 0.331 0.000 1.016 334 E CA 1.149 57.724 56.400 0.292 0.000 0.817 334 E CB 0.084 29.903 29.700 0.199 0.000 0.736 334 E HN 0.431 nan 8.360 nan 0.000 0.462 335 G N 0.677 109.624 108.800 0.244 0.000 2.539 335 G HA2 -0.154 3.831 3.960 0.042 0.000 0.215 335 G HA3 -0.154 3.831 3.960 0.042 0.000 0.215 335 G C 1.696 176.795 174.900 0.332 0.000 1.141 335 G CA 0.846 46.105 45.100 0.265 0.000 0.806 335 G HN 0.376 nan 8.290 nan 0.000 0.533 336 S N 0.497 116.347 115.700 0.250 0.000 2.368 336 S HA -0.350 4.146 4.470 0.042 0.000 0.226 336 S C 2.123 176.781 174.600 0.097 0.000 1.044 336 S CA 1.643 59.949 58.200 0.178 0.000 1.062 336 S CB -1.006 62.205 63.200 0.018 0.000 0.931 336 S HN 0.445 nan 8.310 nan 0.000 0.440 337 Y N 1.792 122.029 120.300 -0.106 0.000 2.181 337 Y HA -0.203 4.372 4.550 0.041 0.000 0.284 337 Y C 1.773 177.531 175.900 -0.236 0.000 1.179 337 Y CA 1.990 59.869 58.100 -0.367 0.000 1.179 337 Y CB -0.507 37.649 38.460 -0.508 0.000 0.973 337 Y HN 0.305 nan 8.280 nan 0.000 0.519 338 F N -0.926 119.111 119.950 0.145 0.000 2.710 338 F HA -0.032 4.520 4.527 0.041 0.000 0.298 338 F C 1.807 177.674 175.800 0.112 0.000 1.137 338 F CA 0.479 58.544 58.000 0.108 0.000 1.444 338 F CB -0.348 38.667 39.000 0.025 0.000 1.111 338 F HN 0.030 nan 8.300 nan 0.000 0.580 339 L N -0.207 121.136 121.223 0.200 0.000 2.109 339 L HA -0.112 4.253 4.340 0.042 0.000 0.207 339 L C 2.438 179.401 176.870 0.154 0.000 1.086 339 L CA 0.888 55.744 54.840 0.026 0.000 0.760 339 L CB -0.737 41.126 42.059 -0.326 0.000 0.910 339 L HN 0.148 nan 8.230 nan 0.000 0.437 340 V N -4.342 115.712 119.914 0.233 0.000 3.241 340 V HA -0.205 3.940 4.120 0.042 0.000 0.269 340 V C 1.160 177.270 176.094 0.027 0.000 1.151 340 V CA 0.966 63.396 62.300 0.217 0.000 1.158 340 V CB -1.277 30.700 31.823 0.256 0.000 0.764 340 V HN 0.301 nan 8.190 nan 0.000 0.508 341 Y N 2.073 122.396 120.300 0.039 0.000 2.801 341 Y HA 0.629 5.204 4.550 0.042 0.000 0.340 341 Y C 1.565 177.448 175.900 -0.029 0.000 1.088 341 Y CA 0.145 58.232 58.100 -0.023 0.000 1.444 341 Y CB 0.228 38.659 38.460 -0.047 0.000 1.251 341 Y HN 0.430 nan 8.280 nan 0.000 0.522 342 G N -0.748 108.107 108.800 0.093 0.000 2.155 342 G HA2 -0.168 3.818 3.960 0.042 0.000 0.130 342 G HA3 -0.168 3.818 3.960 0.042 0.000 0.130 342 G C -0.725 174.230 174.900 0.092 0.000 1.027 342 G CA -0.450 44.690 45.100 0.066 0.000 0.705 342 G HN 0.063 nan 8.290 nan 0.000 0.496 343 V N 1.971 121.969 119.914 0.141 0.000 2.364 343 V HA 0.417 4.563 4.120 0.042 0.000 0.272 343 V C -1.687 174.574 176.094 0.278 0.000 1.036 343 V CA -1.684 60.731 62.300 0.191 0.000 0.880 343 V CB 1.319 33.232 31.823 0.151 0.000 0.991 343 V HN 0.124 nan 8.190 nan 0.000 0.460 344 P HA 0.263 nan 4.420 nan 0.000 0.264 344 P C 0.998 178.354 177.300 0.094 0.000 1.193 344 P CA 1.174 64.341 63.100 0.112 0.000 0.763 344 P CB 0.691 32.430 31.700 0.065 0.000 0.810 345 G N 1.557 110.346 108.800 -0.018 0.000 2.238 345 G HA2 -0.197 3.788 3.960 0.042 0.000 0.217 345 G HA3 -0.197 3.788 3.960 0.042 0.000 0.217 345 G C -0.231 174.400 174.900 -0.450 0.000 0.996 345 G CA -0.612 44.334 45.100 -0.257 0.000 0.632 345 G HN 0.397 nan 8.290 nan 0.000 0.503 346 F N 1.718 121.647 119.950 -0.035 0.000 2.436 346 F HA 0.786 5.338 4.527 0.041 0.000 0.340 346 F C 0.565 176.419 175.800 0.091 0.000 1.113 346 F CA -0.122 57.858 58.000 -0.034 0.000 1.022 346 F CB 2.285 41.310 39.000 0.042 0.000 1.128 346 F HN 0.247 nan 8.300 nan 0.000 0.466 347 S N 1.836 117.719 115.700 0.304 0.000 2.547 347 S HA 0.294 4.789 4.470 0.042 0.000 0.270 347 S C 0.213 175.087 174.600 0.458 0.000 1.150 347 S CA -0.878 57.529 58.200 0.345 0.000 0.850 347 S CB 1.421 64.733 63.200 0.185 0.000 1.118 347 S HN 0.739 nan 8.310 nan 0.000 0.461 348 K N 1.368 121.936 120.400 0.281 0.000 2.362 348 K HA 0.053 4.398 4.320 0.042 0.000 0.200 348 K C 0.496 177.114 176.600 0.030 0.000 1.046 348 K CA 1.412 57.760 56.287 0.101 0.000 0.952 348 K CB -0.116 32.114 32.500 -0.451 0.000 0.753 348 K HN 0.469 nan 8.250 nan 0.000 0.466 349 D N 1.008 121.421 120.400 0.022 0.000 2.201 349 D HA -0.045 4.620 4.640 0.042 0.000 0.209 349 D C 0.534 176.850 176.300 0.027 0.000 0.961 349 D CA 0.808 54.794 54.000 -0.023 0.000 0.861 349 D CB -0.108 40.667 40.800 -0.042 0.000 0.997 349 D HN 0.463 nan 8.370 nan 0.000 0.486 350 N N 0.204 118.928 118.700 0.041 0.000 2.531 350 N HA 0.075 4.841 4.740 0.042 0.000 0.301 350 N C 0.499 176.031 175.510 0.037 0.000 1.310 350 N CA -0.318 52.738 53.050 0.010 0.000 0.949 350 N CB 0.285 38.743 38.487 -0.048 0.000 1.111 350 N HN -0.221 nan 8.380 nan 0.000 0.565 351 E N -1.316 118.844 120.200 -0.067 0.000 2.474 351 E HA 0.091 4.466 4.350 0.042 0.000 0.195 351 E C -0.542 175.718 176.600 -0.568 0.000 1.039 351 E CA -0.091 56.217 56.400 -0.153 0.000 0.881 351 E CB -0.116 29.544 29.700 -0.067 0.000 0.970 351 E HN 0.577 nan 8.360 nan 0.000 0.486 352 S N 0.366 115.740 115.700 -0.543 0.000 3.581 352 S HA -0.209 4.286 4.470 0.042 0.000 0.354 352 S C 0.341 174.505 174.600 -0.727 0.000 1.059 352 S CA 0.234 57.974 58.200 -0.768 0.000 1.060 352 S CB -2.080 60.423 63.200 -1.161 0.000 0.908 352 S HN 0.299 nan 8.310 nan 0.000 0.475 353 L N 1.315 122.270 121.223 -0.447 0.000 2.490 353 L HA 0.421 4.787 4.340 0.042 0.000 0.274 353 L C 0.794 177.461 176.870 -0.339 0.000 1.201 353 L CA 0.171 54.818 54.840 -0.322 0.000 0.869 353 L CB 0.084 42.020 42.059 -0.205 0.000 1.123 353 L HN 0.486 nan 8.230 nan 0.000 0.484 354 I N -0.739 119.661 120.570 -0.282 0.000 3.108 354 I HA 0.709 4.904 4.170 0.042 0.000 0.312 354 I C 0.065 176.117 176.117 -0.109 0.000 1.095 354 I CA -0.754 60.404 61.300 -0.236 0.000 1.000 354 I CB 2.161 39.997 38.000 -0.273 0.000 1.229 354 I HN 0.566 nan 8.210 nan 0.000 0.454 355 S N 1.451 117.116 115.700 -0.058 0.000 2.654 355 S HA 0.451 4.947 4.470 0.042 0.000 0.283 355 S C 0.836 175.466 174.600 0.051 0.000 1.180 355 S CA -0.571 57.621 58.200 -0.014 0.000 1.021 355 S CB 1.908 65.102 63.200 -0.011 0.000 1.018 355 S HN 0.851 nan 8.310 nan 0.000 0.532 356 R N 1.313 121.843 120.500 0.050 0.000 2.119 356 R HA -0.169 4.197 4.340 0.042 0.000 0.246 356 R C 2.292 178.689 176.300 0.161 0.000 1.146 356 R CA 2.225 58.393 56.100 0.114 0.000 0.962 356 R CB -1.255 29.084 30.300 0.066 0.000 0.863 356 R HN 0.872 nan 8.270 nan 0.000 0.442 357 A N -0.008 122.868 122.820 0.094 0.000 1.877 357 A HA -0.209 4.136 4.320 0.042 0.000 0.216 357 A C 2.093 179.725 177.584 0.080 0.000 1.186 357 A CA 1.613 53.696 52.037 0.075 0.000 0.620 357 A CB -0.547 18.480 19.000 0.045 0.000 0.822 357 A HN 0.539 nan 8.150 nan 0.000 0.443 358 Q N -1.820 118.030 119.800 0.084 0.000 2.135 358 Q HA -0.183 4.182 4.340 0.042 0.000 0.204 358 Q C 1.882 177.980 176.000 0.164 0.000 0.981 358 Q CA 1.732 57.590 55.803 0.091 0.000 0.856 358 Q CB -0.290 28.475 28.738 0.044 0.000 0.902 358 Q HN 0.811 nan 8.270 nan 0.000 0.425 359 F N 0.761 120.744 119.950 0.056 0.000 2.146 359 F HA -0.145 4.412 4.527 0.049 0.000 0.298 359 F C 1.652 177.497 175.800 0.075 0.000 1.096 359 F CA 0.945 58.996 58.000 0.084 0.000 1.275 359 F CB 0.099 39.135 39.000 0.059 0.000 1.008 359 F HN -0.047 nan 8.300 nan 0.000 0.480 360 L N 0.074 121.227 121.223 -0.117 0.000 2.141 360 L HA -0.116 4.250 4.340 0.042 0.000 0.209 360 L C 2.761 179.545 176.870 -0.144 0.000 1.094 360 L CA 0.959 55.674 54.840 -0.208 0.000 0.763 360 L CB -1.387 40.651 42.059 -0.035 0.000 0.908 360 L HN 0.256 nan 8.230 nan 0.000 0.437 361 A N 0.773 123.560 122.820 -0.054 0.000 1.897 361 A HA -0.008 4.338 4.320 0.042 0.000 0.215 361 A C 2.449 180.020 177.584 -0.022 0.000 1.181 361 A CA 1.308 53.333 52.037 -0.019 0.000 0.620 361 A CB -1.145 17.866 19.000 0.019 0.000 0.821 361 A HN 0.388 nan 8.150 nan 0.000 0.443 362 G N -0.396 108.402 108.800 -0.003 0.000 2.475 362 G HA2 -0.165 3.820 3.960 0.042 0.000 0.220 362 G HA3 -0.165 3.820 3.960 0.042 0.000 0.220 362 G C 1.448 176.312 174.900 -0.059 0.000 1.125 362 G CA 1.386 46.504 45.100 0.030 0.000 0.755 362 G HN 0.327 nan 8.290 nan 0.000 0.565 363 V N 1.010 120.814 119.914 -0.184 0.000 2.453 363 V HA -0.063 4.083 4.120 0.042 0.000 0.247 363 V C 2.747 178.792 176.094 -0.082 0.000 1.048 363 V CA 1.363 63.553 62.300 -0.183 0.000 1.049 363 V CB -0.297 31.324 31.823 -0.338 0.000 0.672 363 V HN 0.278 nan 8.190 nan 0.000 0.457 364 R N -0.022 120.440 120.500 -0.064 0.000 2.280 364 R HA 0.114 4.479 4.340 0.042 0.000 0.207 364 R C 1.821 178.117 176.300 -0.007 0.000 1.043 364 R CA 0.972 57.056 56.100 -0.026 0.000 1.006 364 R CB -0.520 29.769 30.300 -0.018 0.000 0.885 364 R HN 0.482 nan 8.270 nan 0.000 0.467 365 I N -0.726 119.842 120.570 -0.004 0.000 2.867 365 I HA 0.030 4.226 4.170 0.042 0.000 0.265 365 I C 2.241 178.370 176.117 0.020 0.000 1.162 365 I CA 0.863 62.171 61.300 0.014 0.000 1.471 365 I CB -0.293 37.722 38.000 0.025 0.000 1.123 365 I HN 0.116 nan 8.210 nan 0.000 0.440 366 G N 0.806 109.612 108.800 0.011 0.000 2.408 366 G HA2 -0.035 3.950 3.960 0.042 0.000 0.215 366 G HA3 -0.035 3.950 3.960 0.042 0.000 0.215 366 G C 0.908 175.839 174.900 0.052 0.000 1.156 366 G CA 0.403 45.518 45.100 0.025 0.000 0.793 366 G HN 0.204 nan 8.290 nan 0.000 0.535 367 V N 2.514 122.432 119.914 0.007 0.000 2.294 367 V HA 0.218 4.363 4.120 0.042 0.000 0.258 367 V C -1.340 174.760 176.094 0.011 0.000 1.080 367 V CA -1.120 61.156 62.300 -0.041 0.000 1.128 367 V CB 1.225 32.996 31.823 -0.086 0.000 1.323 367 V HN 0.138 nan 8.190 nan 0.000 0.498 368 P HA -0.128 nan 4.420 nan 0.000 0.222 368 P C 1.033 178.350 177.300 0.028 0.000 1.147 368 P CA 0.973 64.092 63.100 0.031 0.000 0.790 368 P CB 0.561 32.282 31.700 0.035 0.000 0.780 369 Q N -0.447 119.379 119.800 0.043 0.000 2.403 369 Q HA 0.256 4.622 4.340 0.042 0.000 0.203 369 Q C 0.765 176.773 176.000 0.014 0.000 0.932 369 Q CA -0.040 55.781 55.803 0.031 0.000 0.945 369 Q CB -0.340 28.426 28.738 0.048 0.000 1.045 369 Q HN 0.185 nan 8.270 nan 0.000 0.511 370 A N 0.589 123.413 122.820 0.007 0.000 2.363 370 A HA 0.489 4.834 4.320 0.042 0.000 0.270 370 A C 0.338 177.918 177.584 -0.006 0.000 1.121 370 A CA -0.451 51.583 52.037 -0.006 0.000 0.800 370 A CB 0.354 19.350 19.000 -0.007 0.000 1.052 370 A HN 0.332 nan 8.150 nan 0.000 0.493 371 S N 1.720 117.412 115.700 -0.013 0.000 2.608 371 S HA 0.132 4.628 4.470 0.042 0.000 0.261 371 S C 0.379 174.979 174.600 0.000 0.000 1.314 371 S CA -0.013 58.181 58.200 -0.009 0.000 0.992 371 S CB 0.481 63.671 63.200 -0.017 0.000 0.935 371 S HN 0.630 nan 8.310 nan 0.000 0.564 372 D N 0.200 120.603 120.400 0.005 0.000 2.104 372 D HA -0.109 4.557 4.640 0.042 0.000 0.194 372 D C 1.773 178.087 176.300 0.024 0.000 0.994 372 D CA 1.000 55.008 54.000 0.013 0.000 0.830 372 D CB -0.459 40.350 40.800 0.015 0.000 0.959 372 D HN 0.410 nan 8.370 nan 0.000 0.452 373 L N 0.921 122.158 121.223 0.023 0.000 2.046 373 L HA -0.080 4.285 4.340 0.042 0.000 0.208 373 L C 2.183 179.085 176.870 0.052 0.000 1.077 373 L CA 1.663 56.526 54.840 0.038 0.000 0.747 373 L CB -0.874 41.202 42.059 0.027 0.000 0.896 373 L HN -0.022 nan 8.230 nan 0.000 0.432 374 A N -0.648 122.184 122.820 0.019 0.000 1.877 374 A HA -0.134 4.212 4.320 0.042 0.000 0.216 374 A C 2.466 180.083 177.584 0.055 0.000 1.186 374 A CA 1.936 53.981 52.037 0.014 0.000 0.620 374 A CB -1.198 17.778 19.000 -0.039 0.000 0.822 374 A HN 0.543 nan 8.150 nan 0.000 0.443 375 A N -0.413 122.429 122.820 0.036 0.000 1.883 375 A HA -0.211 4.134 4.320 0.042 0.000 0.217 375 A C 1.954 179.575 177.584 0.063 0.000 1.186 375 A CA 2.304 54.361 52.037 0.032 0.000 0.624 375 A CB -0.626 18.378 19.000 0.006 0.000 0.822 375 A HN 0.524 nan 8.150 nan 0.000 0.444 376 E N 0.001 120.246 120.200 0.075 0.000 2.033 376 E HA -0.168 4.208 4.350 0.042 0.000 0.199 376 E C 2.170 178.859 176.600 0.149 0.000 1.011 376 E CA 1.909 58.373 56.400 0.106 0.000 0.815 376 E CB -0.603 29.154 29.700 0.095 0.000 0.755 376 E HN 0.502 nan 8.360 nan 0.000 0.451 377 A N -0.066 122.860 122.820 0.177 0.000 1.917 377 A HA -0.225 4.120 4.320 0.042 0.000 0.219 377 A C 2.557 180.247 177.584 0.177 0.000 1.182 377 A CA 2.004 54.191 52.037 0.251 0.000 0.633 377 A CB -0.967 18.295 19.000 0.437 0.000 0.819 377 A HN 0.208 nan 8.150 nan 0.000 0.448 378 V N -0.542 119.496 119.914 0.207 0.000 2.261 378 V HA -0.249 3.896 4.120 0.042 0.000 0.246 378 V C 2.589 178.847 176.094 0.272 0.000 1.047 378 V CA 2.046 64.451 62.300 0.175 0.000 1.015 378 V CB -0.871 31.058 31.823 0.177 0.000 0.642 378 V HN 0.384 nan 8.190 nan 0.000 0.446 379 V N -0.011 120.033 119.914 0.217 0.000 2.282 379 V HA -0.294 3.851 4.120 0.042 0.000 0.249 379 V C 2.289 178.612 176.094 0.381 0.000 1.057 379 V CA 2.243 64.729 62.300 0.310 0.000 1.032 379 V CB -0.615 31.327 31.823 0.199 0.000 0.645 379 V HN 0.466 nan 8.190 nan 0.000 0.447 380 L N -0.854 120.567 121.223 0.330 0.000 2.141 380 L HA -0.170 4.195 4.340 0.042 0.000 0.209 380 L C 2.506 179.585 176.870 0.349 0.000 1.094 380 L CA 1.800 56.910 54.840 0.450 0.000 0.763 380 L CB -0.790 41.445 42.059 0.293 0.000 0.908 380 L HN 0.449 nan 8.230 nan 0.000 0.437 381 H N -0.605 118.466 119.070 0.003 0.000 2.326 381 H HA -0.172 4.411 4.556 0.045 0.000 0.301 381 H C 1.876 177.082 175.328 -0.202 0.000 1.081 381 H CA 1.868 57.757 56.048 -0.265 0.000 1.334 381 H CB -0.015 29.257 29.762 -0.816 0.000 1.385 381 H HN 0.222 nan 8.280 nan 0.000 0.504 382 Y N 0.136 120.493 120.300 0.095 0.000 2.544 382 Y HA 0.091 4.665 4.550 0.041 0.000 0.286 382 Y C 0.746 176.591 175.900 -0.092 0.000 1.141 382 Y CA 0.466 58.617 58.100 0.085 0.000 1.299 382 Y CB 0.216 38.863 38.460 0.312 0.000 1.030 382 Y HN 0.065 nan 8.280 nan 0.000 0.543 383 T N 1.486 116.000 114.554 -0.065 0.000 2.870 383 T HA -0.061 4.314 4.350 0.042 0.000 0.300 383 T C -0.183 174.137 174.700 -0.633 0.000 0.989 383 T CA -0.312 61.474 62.100 -0.523 0.000 1.139 383 T CB 0.316 68.591 68.868 -0.988 0.000 0.920 383 T HN 0.068 nan 8.240 nan 0.000 0.537 384 D N 2.194 122.258 120.400 -0.559 0.000 2.393 384 D HA 0.068 4.733 4.640 0.042 0.000 0.232 384 D C 0.091 176.085 176.300 -0.510 0.000 1.192 384 D CA -0.613 53.112 54.000 -0.458 0.000 0.882 384 D CB 0.359 40.861 40.800 -0.498 0.000 1.038 384 D HN 0.616 nan 8.370 nan 0.000 0.499 385 W N 3.136 124.318 121.300 -0.197 0.000 2.721 385 W HA 0.019 4.702 4.660 0.038 0.000 0.245 385 W C 1.989 178.377 176.519 -0.219 0.000 1.276 385 W CA -0.226 57.019 57.345 -0.166 0.000 1.342 385 W CB -0.023 29.361 29.460 -0.127 0.000 1.135 385 W HN 0.435 nan 8.180 nan 0.000 0.654 386 L N -1.184 119.900 121.223 -0.232 0.000 2.179 386 L HA -0.094 4.272 4.340 0.042 0.000 0.208 386 L C 0.279 176.782 176.870 -0.612 0.000 1.096 386 L CA 1.183 55.735 54.840 -0.480 0.000 0.779 386 L CB -0.335 41.266 42.059 -0.764 0.000 0.922 386 L HN 0.041 nan 8.230 nan 0.000 0.443 387 H N -2.062 116.928 119.070 -0.134 0.000 2.379 387 H HA 0.173 4.739 4.556 0.017 0.000 0.229 387 H C -1.903 173.310 175.328 -0.191 0.000 1.423 387 H CA -1.513 54.465 56.048 -0.117 0.000 1.375 387 H CB 0.035 29.758 29.762 -0.066 0.000 1.592 387 H HN -0.043 nan 8.280 nan 0.000 0.507 388 P HA -0.139 nan 4.420 nan 0.000 0.226 388 P C 0.449 177.628 177.300 -0.202 0.000 1.153 388 P CA 1.154 64.072 63.100 -0.304 0.000 0.777 388 P CB 0.612 32.161 31.700 -0.250 0.000 0.794 389 E N -0.762 119.391 120.200 -0.078 0.000 2.630 389 E HA 0.057 4.432 4.350 0.042 0.000 0.218 389 E C -0.126 176.458 176.600 -0.028 0.000 0.977 389 E CA -0.276 56.094 56.400 -0.050 0.000 1.038 389 E CB 0.106 29.797 29.700 -0.016 0.000 1.051 389 E HN 0.160 nan 8.360 nan 0.000 0.487 390 D N 2.531 122.934 120.400 0.006 0.000 2.434 390 D HA -0.004 4.661 4.640 0.042 0.000 0.252 390 D C -1.616 174.673 176.300 -0.019 0.000 1.185 390 D CA -1.677 52.337 54.000 0.023 0.000 0.886 390 D CB 1.333 42.207 40.800 0.123 0.000 1.148 390 D HN -0.165 nan 8.370 nan 0.000 0.483 391 P HA -0.099 nan 4.420 nan 0.000 0.216 391 P C 1.282 178.522 177.300 -0.099 0.000 1.153 391 P CA 1.029 64.076 63.100 -0.088 0.000 0.848 391 P CB 0.121 31.759 31.700 -0.104 0.000 0.787 392 T N -1.350 113.138 114.554 -0.110 0.000 2.665 392 T HA -0.226 4.149 4.350 0.042 0.000 0.268 392 T C 1.576 176.207 174.700 -0.115 0.000 1.035 392 T CA 1.775 63.794 62.100 -0.135 0.000 1.151 392 T CB -1.113 67.636 68.868 -0.198 0.000 0.862 392 T HN 0.312 nan 8.240 nan 0.000 0.438 393 H N 0.203 119.231 119.070 -0.071 0.000 2.321 393 H HA 0.086 4.659 4.556 0.028 0.000 0.300 393 H C 2.246 177.494 175.328 -0.135 0.000 1.087 393 H CA 1.155 57.158 56.048 -0.075 0.000 1.319 393 H CB -0.221 29.492 29.762 -0.083 0.000 1.379 393 H HN 0.178 nan 8.280 nan 0.000 0.501 394 L N 0.189 121.362 121.223 -0.083 0.000 2.046 394 L HA -0.209 4.157 4.340 0.042 0.000 0.208 394 L C 2.780 179.608 176.870 -0.071 0.000 1.077 394 L CA 1.106 55.770 54.840 -0.294 0.000 0.747 394 L CB -0.348 41.550 42.059 -0.269 0.000 0.896 394 L HN 0.269 nan 8.230 nan 0.000 0.432 395 R N 0.570 121.088 120.500 0.029 0.000 2.080 395 R HA -0.208 4.157 4.340 0.042 0.000 0.236 395 R C 1.731 178.180 176.300 0.249 0.000 1.137 395 R CA 2.371 58.584 56.100 0.188 0.000 0.943 395 R CB -0.528 29.767 30.300 -0.009 0.000 0.846 395 R HN 0.349 nan 8.270 nan 0.000 0.431 396 D N 0.327 120.827 120.400 0.166 0.000 2.144 396 D HA -0.087 4.578 4.640 0.042 0.000 0.199 396 D C 1.774 178.194 176.300 0.201 0.000 0.984 396 D CA 1.420 55.541 54.000 0.202 0.000 0.834 396 D CB -0.306 40.591 40.800 0.161 0.000 0.955 396 D HN 0.384 nan 8.370 nan 0.000 0.465 397 A N 0.713 123.624 122.820 0.152 0.000 1.902 397 A HA -0.199 4.146 4.320 0.042 0.000 0.217 397 A C 2.139 179.842 177.584 0.199 0.000 1.181 397 A CA 1.706 53.849 52.037 0.176 0.000 0.623 397 A CB -0.525 18.478 19.000 0.005 0.000 0.818 397 A HN 0.131 nan 8.150 nan 0.000 0.443 398 M N 0.092 119.864 119.600 0.287 0.000 2.080 398 M HA -0.120 4.385 4.480 0.042 0.000 0.260 398 M C 2.356 178.708 176.300 0.086 0.000 1.068 398 M CA 2.167 57.631 55.300 0.273 0.000 1.109 398 M CB -0.802 32.004 32.600 0.342 0.000 1.342 398 M HN 0.443 nan 8.290 nan 0.000 0.405 399 S N -0.378 115.396 115.700 0.123 0.000 2.365 399 S HA -0.170 4.326 4.470 0.042 0.000 0.225 399 S C 2.042 176.711 174.600 0.115 0.000 1.039 399 S CA 1.920 60.205 58.200 0.142 0.000 1.033 399 S CB -0.663 62.685 63.200 0.247 0.000 0.887 399 S HN 0.625 nan 8.310 nan 0.000 0.447 400 A N 0.801 123.700 122.820 0.132 0.000 1.877 400 A HA 0.004 4.349 4.320 0.042 0.000 0.216 400 A C 2.397 179.976 177.584 -0.009 0.000 1.186 400 A CA 1.784 53.910 52.037 0.148 0.000 0.620 400 A CB -1.209 17.979 19.000 0.313 0.000 0.822 400 A HN 0.464 nan 8.150 nan 0.000 0.443 401 V N -0.328 119.424 119.914 -0.270 0.000 2.252 401 V HA -0.287 3.859 4.120 0.042 0.000 0.249 401 V C 2.590 178.613 176.094 -0.117 0.000 1.056 401 V CA 2.287 64.391 62.300 -0.328 0.000 1.022 401 V CB -0.801 30.876 31.823 -0.244 0.000 0.641 401 V HN 0.387 nan 8.190 nan 0.000 0.445 402 V N 0.457 120.324 119.914 -0.078 0.000 2.358 402 V HA -0.136 4.009 4.120 0.042 0.000 0.246 402 V C 2.570 178.541 176.094 -0.204 0.000 1.047 402 V CA 2.111 64.349 62.300 -0.102 0.000 1.035 402 V CB -1.240 30.571 31.823 -0.019 0.000 0.658 402 V HN 0.622 nan 8.190 nan 0.000 0.452 403 G N -0.424 108.320 108.800 -0.093 0.000 2.402 403 G HA2 -0.209 3.776 3.960 0.042 0.000 0.216 403 G HA3 -0.209 3.776 3.960 0.042 0.000 0.216 403 G C 1.227 176.032 174.900 -0.159 0.000 1.162 403 G CA 0.934 45.983 45.100 -0.084 0.000 0.777 403 G HN 0.500 nan 8.290 nan 0.000 0.539 404 D N -0.202 120.121 120.400 -0.128 0.000 2.097 404 D HA -0.071 4.594 4.640 0.042 0.000 0.197 404 D C 2.103 178.052 176.300 -0.585 0.000 0.984 404 D CA 1.191 55.080 54.000 -0.185 0.000 0.826 404 D CB -0.482 40.391 40.800 0.121 0.000 0.973 404 D HN 0.383 nan 8.370 nan 0.000 0.460 405 H N 0.983 119.452 119.070 -1.002 0.000 2.353 405 H HA 0.014 4.595 4.556 0.042 0.000 0.300 405 H C 1.455 176.353 175.328 -0.717 0.000 1.090 405 H CA 1.691 56.941 56.048 -1.331 0.000 1.327 405 H CB 0.071 29.058 29.762 -1.291 0.000 1.383 405 H HN 0.006 nan 8.280 nan 0.000 0.508 406 N N -0.928 117.303 118.700 -0.781 0.000 2.415 406 N HA 0.016 4.781 4.740 0.042 0.000 0.174 406 N C 1.283 176.514 175.510 -0.465 0.000 1.048 406 N CA 1.053 53.578 53.050 -0.875 0.000 0.895 406 N CB 1.093 38.469 38.487 -1.853 0.000 1.036 406 N HN 0.266 nan 8.380 nan 0.000 0.449 407 V N -0.191 119.505 119.914 -0.363 0.000 3.134 407 V HA 0.056 4.201 4.120 0.042 0.000 0.222 407 V C 2.225 178.260 176.094 -0.098 0.000 1.247 407 V CA 0.241 62.469 62.300 -0.121 0.000 1.281 407 V CB -0.169 31.646 31.823 -0.014 0.000 1.169 407 V HN -0.167 nan 8.190 nan 0.000 0.512 408 V N 0.174 120.029 119.914 -0.098 0.000 2.255 408 V HA -0.303 3.842 4.120 0.042 0.000 0.247 408 V C 2.532 178.582 176.094 -0.073 0.000 1.051 408 V CA 2.632 64.894 62.300 -0.063 0.000 1.018 408 V CB -0.903 30.915 31.823 -0.009 0.000 0.641 408 V HN 0.658 nan 8.190 nan 0.000 0.445 409 c N -0.257 118.290 118.600 -0.088 0.000 2.446 409 c HA -0.003 4.592 4.570 0.042 0.000 0.277 409 c C 0.623 174.678 174.090 -0.058 0.000 1.275 409 c CA 0.947 57.257 56.329 -0.031 0.000 1.727 409 c CB -1.924 40.600 42.510 0.024 0.000 2.010 409 c HN 0.459 nan 8.230 nan 0.000 0.486 410 P HA -0.095 nan 4.420 nan 0.000 0.216 410 P C 1.769 179.007 177.300 -0.104 0.000 1.153 410 P CA 1.430 64.461 63.100 -0.116 0.000 0.858 410 P CB -0.197 31.411 31.700 -0.154 0.000 0.789 411 V N -0.024 119.826 119.914 -0.106 0.000 2.332 411 V HA -0.285 3.860 4.120 0.042 0.000 0.248 411 V C 2.434 178.427 176.094 -0.169 0.000 1.055 411 V CA 2.308 64.525 62.300 -0.137 0.000 1.038 411 V CB -1.667 30.067 31.823 -0.149 0.000 0.651 411 V HN 0.115 nan 8.190 nan 0.000 0.450 412 A N -0.791 121.952 122.820 -0.129 0.000 1.898 412 A HA -0.270 4.076 4.320 0.042 0.000 0.216 412 A C 2.145 179.699 177.584 -0.050 0.000 1.181 412 A CA 2.004 53.979 52.037 -0.104 0.000 0.620 412 A CB -0.534 18.460 19.000 -0.010 0.000 0.819 412 A HN 0.528 nan 8.150 nan 0.000 0.442 413 Q N -0.305 119.478 119.800 -0.029 0.000 1.985 413 Q HA -0.203 4.162 4.340 0.042 0.000 0.207 413 Q C 1.918 177.899 176.000 -0.031 0.000 0.996 413 Q CA 2.207 58.005 55.803 -0.009 0.000 0.851 413 Q CB -0.720 28.007 28.738 -0.019 0.000 0.921 413 Q HN 0.503 nan 8.270 nan 0.000 0.418 414 L N 0.152 121.329 121.223 -0.078 0.000 2.012 414 L HA -0.135 4.230 4.340 0.042 0.000 0.210 414 L C 2.138 178.942 176.870 -0.110 0.000 1.073 414 L CA 2.474 57.254 54.840 -0.100 0.000 0.748 414 L CB -1.134 40.847 42.059 -0.130 0.000 0.891 414 L HN 0.312 nan 8.230 nan 0.000 0.431 415 A N -0.666 122.050 122.820 -0.174 0.000 1.902 415 A HA -0.095 4.251 4.320 0.042 0.000 0.217 415 A C 2.342 179.942 177.584 0.027 0.000 1.181 415 A CA 1.675 53.566 52.037 -0.244 0.000 0.623 415 A CB -1.628 16.942 19.000 -0.717 0.000 0.818 415 A HN 0.548 nan 8.150 nan 0.000 0.443 416 G N -0.473 108.399 108.800 0.121 0.000 2.480 416 G HA2 -0.234 3.751 3.960 0.042 0.000 0.216 416 G HA3 -0.234 3.751 3.960 0.042 0.000 0.216 416 G C 1.679 176.667 174.900 0.147 0.000 1.200 416 G CA 0.891 46.136 45.100 0.241 0.000 0.782 416 G HN 0.408 nan 8.290 nan 0.000 0.554 417 R N 0.323 120.879 120.500 0.092 0.000 2.075 417 R HA 0.095 4.460 4.340 0.042 0.000 0.232 417 R C 2.698 179.082 176.300 0.140 0.000 1.126 417 R CA 0.596 56.761 56.100 0.108 0.000 0.963 417 R CB -1.239 29.122 30.300 0.101 0.000 0.858 417 R HN 0.418 nan 8.270 nan 0.000 0.435 418 L N 0.308 121.565 121.223 0.055 0.000 2.083 418 L HA -0.126 4.239 4.340 0.042 0.000 0.209 418 L C 2.574 179.511 176.870 0.113 0.000 1.083 418 L CA 1.396 56.247 54.840 0.018 0.000 0.752 418 L CB -0.637 41.318 42.059 -0.173 0.000 0.899 418 L HN 0.151 nan 8.230 nan 0.000 0.433 419 A N 0.030 122.919 122.820 0.115 0.000 1.872 419 A HA -0.052 4.293 4.320 0.042 0.000 0.214 419 A C 2.579 180.222 177.584 0.098 0.000 1.187 419 A CA 1.343 53.447 52.037 0.113 0.000 0.614 419 A CB -0.718 18.378 19.000 0.160 0.000 0.826 419 A HN 0.343 nan 8.150 nan 0.000 0.442 420 A N -0.665 122.218 122.820 0.105 0.000 1.917 420 A HA -0.226 4.120 4.320 0.042 0.000 0.219 420 A C 1.830 179.465 177.584 0.086 0.000 1.182 420 A CA 1.831 53.918 52.037 0.083 0.000 0.633 420 A CB -0.466 18.585 19.000 0.085 0.000 0.819 420 A HN 0.618 nan 8.150 nan 0.000 0.448 421 Q N -1.763 118.117 119.800 0.134 0.000 2.237 421 Q HA 0.407 4.772 4.340 0.042 0.000 0.252 421 Q C 0.852 176.936 176.000 0.141 0.000 0.877 421 Q CA 0.386 56.264 55.803 0.124 0.000 1.011 421 Q CB 0.286 29.106 28.738 0.138 0.000 1.118 421 Q HN 0.837 nan 8.270 nan 0.000 0.458 422 G N -0.377 108.492 108.800 0.115 0.000 2.213 422 G HA2 -0.293 3.693 3.960 0.042 0.000 0.236 422 G HA3 -0.293 3.693 3.960 0.042 0.000 0.236 422 G C 0.375 175.337 174.900 0.104 0.000 0.991 422 G CA -0.203 44.951 45.100 0.090 0.000 0.629 422 G HN 0.577 nan 8.290 nan 0.000 0.517 423 A N 0.312 123.221 122.820 0.147 0.000 2.366 423 A HA 0.668 5.013 4.320 0.042 0.000 0.249 423 A C 0.780 178.393 177.584 0.050 0.000 1.084 423 A CA 0.742 52.844 52.037 0.109 0.000 0.794 423 A CB 0.276 19.330 19.000 0.090 0.000 1.034 423 A HN 1.086 nan 8.150 nan 0.000 0.491 424 R N 1.329 121.849 120.500 0.033 0.000 2.229 424 R HA 0.547 4.913 4.340 0.042 0.000 0.328 424 R C -1.745 174.516 176.300 -0.065 0.000 1.009 424 R CA -0.234 55.843 56.100 -0.037 0.000 0.864 424 R CB 0.698 30.992 30.300 -0.010 0.000 1.085 424 R HN 0.413 nan 8.270 nan 0.000 0.453 425 V N 5.413 125.214 119.914 -0.189 0.000 2.604 425 V HA 0.446 4.592 4.120 0.042 0.000 0.305 425 V C -1.268 174.627 176.094 -0.332 0.000 1.043 425 V CA -0.749 61.472 62.300 -0.132 0.000 0.888 425 V CB 1.740 33.565 31.823 0.002 0.000 0.995 425 V HN 0.703 nan 8.190 nan 0.000 0.429 426 Y N 2.124 122.376 120.300 -0.080 0.000 2.346 426 Y HA 0.764 5.339 4.550 0.042 0.000 0.332 426 Y C 0.260 176.178 175.900 0.029 0.000 0.985 426 Y CA -0.472 57.540 58.100 -0.147 0.000 1.112 426 Y CB 2.192 40.252 38.460 -0.668 0.000 1.170 426 Y HN 0.776 nan 8.280 nan 0.000 0.447 427 A N 3.330 126.466 122.820 0.526 0.000 2.380 427 A HA 0.888 5.234 4.320 0.042 0.000 0.315 427 A C -1.735 176.247 177.584 0.664 0.000 1.101 427 A CA -0.661 51.596 52.037 0.365 0.000 0.771 427 A CB 1.061 20.087 19.000 0.042 0.000 1.287 427 A HN 0.732 nan 8.150 nan 0.000 0.436 428 Y N -0.801 119.744 120.300 0.409 0.000 2.638 428 Y HA 0.809 5.384 4.550 0.041 0.000 0.339 428 Y C -1.085 174.955 175.900 0.234 0.000 1.084 428 Y CA -1.743 56.543 58.100 0.310 0.000 1.068 428 Y CB 1.354 40.001 38.460 0.311 0.000 1.294 428 Y HN 0.681 nan 8.280 nan 0.000 0.480 429 I N 2.633 123.514 120.570 0.519 0.000 2.499 429 I HA 0.444 4.639 4.170 0.042 0.000 0.288 429 I C -1.934 174.493 176.117 0.516 0.000 1.048 429 I CA -1.002 60.567 61.300 0.449 0.000 1.062 429 I CB 1.244 39.407 38.000 0.272 0.000 1.238 429 I HN 0.739 nan 8.210 nan 0.000 0.426 430 F N 7.250 127.446 119.950 0.410 0.000 2.405 430 F HA 0.398 4.950 4.527 0.043 0.000 0.355 430 F C 0.482 176.410 175.800 0.214 0.000 1.121 430 F CA 0.091 58.264 58.000 0.288 0.000 1.112 430 F CB 0.892 40.059 39.000 0.279 0.000 1.126 430 F HN 0.524 nan 8.300 nan 0.000 0.481 431 E N 3.158 123.290 120.200 -0.113 0.000 2.758 431 E HA -0.008 4.367 4.350 0.042 0.000 0.215 431 E C -0.908 175.606 176.600 -0.143 0.000 0.985 431 E CA -0.207 56.176 56.400 -0.028 0.000 1.102 431 E CB 0.261 29.961 29.700 0.000 0.000 1.042 431 E HN 0.495 nan 8.360 nan 0.000 0.480 432 H N 1.760 120.519 119.070 -0.519 0.000 2.652 432 H HA 0.220 4.801 4.556 0.042 0.000 0.298 432 H C -0.399 174.894 175.328 -0.059 0.000 1.076 432 H CA -0.506 55.283 56.048 -0.431 0.000 1.360 432 H CB 0.455 29.726 29.762 -0.819 0.000 1.421 432 H HN -0.126 nan 8.280 nan 0.000 0.464 433 R N 4.245 124.441 120.500 -0.507 0.000 2.248 433 R HA 0.416 4.781 4.340 0.042 0.000 0.328 433 R C -0.460 175.566 176.300 -0.455 0.000 1.067 433 R CA -0.471 55.460 56.100 -0.281 0.000 0.924 433 R CB 0.178 30.410 30.300 -0.113 0.000 1.013 433 R HN 0.829 nan 8.270 nan 0.000 0.454 434 A N 3.238 126.076 122.820 0.030 0.000 2.567 434 A HA -0.024 4.321 4.320 0.042 0.000 0.240 434 A C 1.375 179.081 177.584 0.204 0.000 1.053 434 A CA 0.577 52.862 52.037 0.413 0.000 0.755 434 A CB 0.287 19.680 19.000 0.655 0.000 0.978 434 A HN 1.012 nan 8.150 nan 0.000 0.507 435 S N 1.606 117.469 115.700 0.271 0.000 2.399 435 S HA -0.166 4.329 4.470 0.042 0.000 0.231 435 S C 1.431 176.050 174.600 0.031 0.000 1.022 435 S CA 1.612 59.891 58.200 0.132 0.000 0.983 435 S CB -0.887 62.411 63.200 0.164 0.000 0.803 435 S HN 1.249 nan 8.310 nan 0.000 0.480 436 T N -0.536 114.005 114.554 -0.021 0.000 3.148 436 T HA 0.327 4.702 4.350 0.042 0.000 0.253 436 T C 0.348 174.991 174.700 -0.095 0.000 1.134 436 T CA -0.438 61.574 62.100 -0.147 0.000 1.051 436 T CB -0.580 68.048 68.868 -0.400 0.000 0.959 436 T HN 0.283 nan 8.240 nan 0.000 0.525 437 L N 3.619 124.828 121.223 -0.024 0.000 2.410 437 L HA 0.315 4.680 4.340 0.042 0.000 0.273 437 L C 1.443 178.280 176.870 -0.056 0.000 1.152 437 L CA 0.506 55.323 54.840 -0.039 0.000 0.855 437 L CB 0.944 42.992 42.059 -0.018 0.000 1.129 437 L HN 0.349 nan 8.230 nan 0.000 0.463 438 T N -0.342 114.141 114.554 -0.118 0.000 3.086 438 T HA 0.133 4.509 4.350 0.042 0.000 0.250 438 T C 0.243 174.953 174.700 0.016 0.000 1.074 438 T CA -0.394 61.643 62.100 -0.104 0.000 0.988 438 T CB -0.379 68.324 68.868 -0.276 0.000 0.988 438 T HN 0.453 nan 8.240 nan 0.000 0.530 439 W N 3.138 124.457 121.300 0.032 0.000 2.237 439 W HA 0.472 5.157 4.660 0.042 0.000 0.335 439 W C -2.033 174.402 176.519 -0.140 0.000 1.230 439 W CA -2.284 55.042 57.345 -0.031 0.000 1.253 439 W CB 0.307 29.687 29.460 -0.134 0.000 1.129 439 W HN -0.064 nan 8.180 nan 0.000 0.590 440 P HA 0.081 nan 4.420 nan 0.000 0.274 440 P C 0.420 177.661 177.300 -0.100 0.000 1.256 440 P CA -0.136 62.955 63.100 -0.015 0.000 0.795 440 P CB 0.967 32.709 31.700 0.070 0.000 1.038 441 L N -0.217 121.010 121.223 0.007 0.000 2.131 441 L HA -0.115 4.250 4.340 0.042 0.000 0.210 441 L C 2.521 179.414 176.870 0.039 0.000 1.092 441 L CA 1.401 56.255 54.840 0.023 0.000 0.759 441 L CB -1.003 41.096 42.059 0.067 0.000 0.903 441 L HN 0.597 nan 8.230 nan 0.000 0.435 442 W N -0.814 120.531 121.300 0.074 0.000 2.468 442 W HA -0.143 4.541 4.660 0.040 0.000 0.262 442 W C 1.582 178.164 176.519 0.105 0.000 1.241 442 W CA 0.529 57.923 57.345 0.082 0.000 1.232 442 W CB -0.702 28.809 29.460 0.085 0.000 1.124 442 W HN 0.214 nan 8.180 nan 0.000 0.597 443 M N 1.216 120.410 119.600 -0.676 0.000 2.556 443 M HA 0.152 4.657 4.480 0.042 0.000 0.245 443 M C 1.813 178.002 176.300 -0.185 0.000 1.128 443 M CA 1.205 56.100 55.300 -0.675 0.000 1.069 443 M CB -0.499 31.570 32.600 -0.884 0.000 1.469 443 M HN 0.167 nan 8.290 nan 0.000 0.494 444 G N 0.987 109.744 108.800 -0.072 0.000 2.596 444 G HA2 -0.295 3.690 3.960 0.042 0.000 0.304 444 G HA3 -0.295 3.690 3.960 0.042 0.000 0.304 444 G C -0.064 174.854 174.900 0.030 0.000 1.189 444 G CA -0.038 45.074 45.100 0.020 0.000 0.986 444 G HN 0.253 nan 8.290 nan 0.000 0.548 445 V N 3.621 123.593 119.914 0.096 0.000 2.270 445 V HA 0.462 4.607 4.120 0.042 0.000 0.263 445 V C -1.837 174.384 176.094 0.211 0.000 1.066 445 V CA -0.819 61.583 62.300 0.170 0.000 0.857 445 V CB 1.021 32.983 31.823 0.231 0.000 1.099 445 V HN 0.514 nan 8.190 nan 0.000 0.476 446 P HA 0.190 nan 4.420 nan 0.000 0.276 446 P C -0.254 177.273 177.300 0.378 0.000 1.244 446 P CA -0.483 62.760 63.100 0.238 0.000 0.801 446 P CB 0.397 32.154 31.700 0.095 0.000 1.006 447 H N 0.758 119.930 119.070 0.170 0.000 3.125 447 H HA 0.257 4.838 4.556 0.042 0.000 0.310 447 H C 1.484 176.708 175.328 -0.174 0.000 0.980 447 H CA 2.139 58.214 56.048 0.045 0.000 1.422 447 H CB -0.548 29.255 29.762 0.069 0.000 1.432 447 H HN 0.754 nan 8.280 nan 0.000 0.577 448 G N 3.321 111.795 108.800 -0.542 0.000 2.232 448 G HA2 -0.312 3.673 3.960 0.042 0.000 0.226 448 G HA3 -0.312 3.673 3.960 0.042 0.000 0.226 448 G C 0.524 175.239 174.900 -0.308 0.000 0.996 448 G CA 0.313 45.094 45.100 -0.532 0.000 0.626 448 G HN 0.648 nan 8.290 nan 0.000 0.509 449 Y N 1.761 122.146 120.300 0.143 0.000 2.470 449 Y HA 0.262 4.837 4.550 0.043 0.000 0.302 449 Y C 2.291 178.307 175.900 0.193 0.000 1.194 449 Y CA 0.904 59.152 58.100 0.247 0.000 1.271 449 Y CB 0.388 39.039 38.460 0.319 0.000 1.092 449 Y HN 0.498 nan 8.280 nan 0.000 0.513 450 E N 0.267 120.406 120.200 -0.103 0.000 2.340 450 E HA -0.050 4.326 4.350 0.042 0.000 0.194 450 E C 1.570 178.064 176.600 -0.176 0.000 0.996 450 E CA 0.574 56.585 56.400 -0.648 0.000 0.869 450 E CB -0.378 28.473 29.700 -1.415 0.000 0.835 450 E HN 0.544 nan 8.360 nan 0.000 0.493 451 I N 3.034 123.593 120.570 -0.019 0.000 2.127 451 I HA -0.317 3.879 4.170 0.042 0.000 0.241 451 I C 2.743 178.889 176.117 0.049 0.000 1.075 451 I CA 2.201 63.546 61.300 0.075 0.000 1.334 451 I CB -0.592 37.514 38.000 0.177 0.000 1.040 451 I HN 0.207 nan 8.210 nan 0.000 0.405 452 E N 1.198 121.382 120.200 -0.028 0.000 2.273 452 E HA -0.243 4.132 4.350 0.042 0.000 0.198 452 E C 1.991 178.368 176.600 -0.372 0.000 1.002 452 E CA 1.551 57.829 56.400 -0.204 0.000 0.828 452 E CB -0.507 29.044 29.700 -0.248 0.000 0.747 452 E HN 0.490 nan 8.360 nan 0.000 0.491 453 F N 1.281 121.124 119.950 -0.178 0.000 2.147 453 F HA -0.012 4.541 4.527 0.043 0.000 0.291 453 F C 2.413 177.985 175.800 -0.380 0.000 1.093 453 F CA 0.408 58.243 58.000 -0.275 0.000 1.263 453 F CB -0.189 38.718 39.000 -0.155 0.000 1.036 453 F HN -0.064 nan 8.300 nan 0.000 0.481 454 I N -0.484 119.926 120.570 -0.266 0.000 2.248 454 I HA -0.311 3.885 4.170 0.042 0.000 0.248 454 I C 2.210 178.060 176.117 -0.445 0.000 1.107 454 I CA 1.774 62.736 61.300 -0.563 0.000 1.373 454 I CB -1.571 35.946 38.000 -0.805 0.000 1.055 454 I HN 0.107 nan 8.210 nan 0.000 0.418 455 F N 0.838 120.627 119.950 -0.267 0.000 2.456 455 F HA 0.155 4.707 4.527 0.042 0.000 0.298 455 F C 1.877 177.593 175.800 -0.140 0.000 1.104 455 F CA 1.086 58.976 58.000 -0.184 0.000 1.435 455 F CB -0.126 38.747 39.000 -0.212 0.000 1.078 455 F HN 0.303 nan 8.300 nan 0.000 0.546 456 G N -0.211 108.470 108.800 -0.200 0.000 2.141 456 G HA2 -0.231 3.754 3.960 0.042 0.000 0.195 456 G HA3 -0.231 3.754 3.960 0.042 0.000 0.195 456 G C 0.726 175.022 174.900 -1.005 0.000 1.012 456 G CA 0.077 44.908 45.100 -0.447 0.000 0.696 456 G HN 0.245 nan 8.290 nan 0.000 0.508 457 L N 0.221 120.976 121.223 -0.780 0.000 2.179 457 L HA 0.166 4.532 4.340 0.042 0.000 0.208 457 L C 0.101 176.518 176.870 -0.755 0.000 1.096 457 L CA 2.063 56.430 54.840 -0.788 0.000 0.779 457 L CB -0.654 41.182 42.059 -0.371 0.000 0.922 457 L HN 0.142 nan 8.230 nan 0.000 0.443 458 P HA -0.131 nan 4.420 nan 0.000 0.229 458 P C 1.404 178.488 177.300 -0.360 0.000 1.150 458 P CA 0.877 63.531 63.100 -0.744 0.000 0.765 458 P CB 0.073 31.297 31.700 -0.795 0.000 0.783 459 L N -1.331 119.586 121.223 -0.510 0.000 2.395 459 L HA 0.027 4.392 4.340 0.042 0.000 0.218 459 L C 0.952 177.708 176.870 -0.190 0.000 1.130 459 L CA 1.059 55.695 54.840 -0.340 0.000 0.826 459 L CB -0.861 40.971 42.059 -0.379 0.000 0.941 459 L HN -0.071 nan 8.230 nan 0.000 0.451 460 D N 0.034 120.303 120.400 -0.220 0.000 2.336 460 D HA 0.083 4.748 4.640 0.042 0.000 0.249 460 D C -1.685 174.631 176.300 0.027 0.000 1.213 460 D CA -1.873 52.139 54.000 0.020 0.000 0.870 460 D CB 1.610 42.481 40.800 0.119 0.000 1.076 460 D HN -0.001 nan 8.370 nan 0.000 0.483 461 P HA -0.085 nan 4.420 nan 0.000 0.222 461 P C 1.202 178.514 177.300 0.020 0.000 1.153 461 P CA 0.656 63.772 63.100 0.026 0.000 0.798 461 P CB 0.080 31.793 31.700 0.020 0.000 0.796 462 S N -1.074 114.636 115.700 0.016 0.000 2.547 462 S HA -0.019 4.476 4.470 0.042 0.000 0.235 462 S C 1.633 176.218 174.600 -0.027 0.000 0.980 462 S CA 0.594 58.791 58.200 -0.005 0.000 0.941 462 S CB -1.417 61.781 63.200 -0.003 0.000 0.763 462 S HN 0.092 nan 8.310 nan 0.000 0.532 463 L N 0.755 121.970 121.223 -0.012 0.000 2.558 463 L HA 0.207 4.572 4.340 0.042 0.000 0.225 463 L C 0.263 177.012 176.870 -0.201 0.000 1.128 463 L CA -0.010 54.783 54.840 -0.077 0.000 0.868 463 L CB -0.484 41.590 42.059 0.026 0.000 1.006 463 L HN 0.236 nan 8.230 nan 0.000 0.454 464 N N -2.074 116.570 118.700 -0.095 0.000 2.829 464 N HA -0.226 4.540 4.740 0.042 0.000 0.250 464 N C -0.509 174.933 175.510 -0.114 0.000 1.090 464 N CA 0.698 53.687 53.050 -0.102 0.000 0.781 464 N CB -1.834 36.576 38.487 -0.128 0.000 1.124 464 N HN 0.245 nan 8.380 nan 0.000 0.559 465 Y N 1.318 121.600 120.300 -0.030 0.000 2.379 465 Y HA 0.154 4.729 4.550 0.041 0.000 0.337 465 Y C 1.990 177.906 175.900 0.027 0.000 1.238 465 Y CA 0.334 58.436 58.100 0.005 0.000 1.405 465 Y CB 0.448 38.892 38.460 -0.027 0.000 1.310 465 Y HN 0.103 nan 8.280 nan 0.000 0.569 466 T N -2.407 112.290 114.554 0.239 0.000 2.802 466 T HA -0.034 4.342 4.350 0.042 0.000 0.305 466 T C 1.235 176.010 174.700 0.124 0.000 1.053 466 T CA -0.074 62.114 62.100 0.147 0.000 1.058 466 T CB 0.972 69.921 68.868 0.134 0.000 0.988 466 T HN 0.786 nan 8.240 nan 0.000 0.539 467 T N 0.130 114.729 114.554 0.075 0.000 2.951 467 T HA -0.033 4.342 4.350 0.042 0.000 0.268 467 T C 1.603 176.331 174.700 0.046 0.000 1.073 467 T CA 1.437 63.568 62.100 0.051 0.000 1.134 467 T CB -0.487 68.400 68.868 0.031 0.000 0.884 467 T HN 0.769 nan 8.240 nan 0.000 0.479 468 E N 0.899 121.126 120.200 0.046 0.000 2.107 468 E HA -0.029 4.346 4.350 0.042 0.000 0.191 468 E C 2.228 178.854 176.600 0.043 0.000 0.982 468 E CA 0.929 57.340 56.400 0.018 0.000 0.809 468 E CB -0.061 29.629 29.700 -0.018 0.000 0.756 468 E HN 0.589 nan 8.360 nan 0.000 0.459 469 E N 0.488 120.753 120.200 0.108 0.000 2.110 469 E HA -0.156 4.220 4.350 0.042 0.000 0.193 469 E C 2.104 178.804 176.600 0.167 0.000 0.988 469 E CA 0.462 57.002 56.400 0.232 0.000 0.804 469 E CB -0.002 29.938 29.700 0.400 0.000 0.745 469 E HN 0.041 nan 8.360 nan 0.000 0.458 470 R N 0.991 121.531 120.500 0.067 0.000 2.091 470 R HA -0.152 4.213 4.340 0.042 0.000 0.238 470 R C 2.118 178.414 176.300 -0.007 0.000 1.136 470 R CA 1.185 57.274 56.100 -0.018 0.000 0.959 470 R CB -0.307 29.983 30.300 -0.016 0.000 0.856 470 R HN 0.226 nan 8.270 nan 0.000 0.437 471 I N 0.025 120.614 120.570 0.033 0.000 2.353 471 I HA -0.237 3.959 4.170 0.042 0.000 0.248 471 I C 2.170 178.326 176.117 0.064 0.000 1.119 471 I CA 0.630 61.945 61.300 0.026 0.000 1.417 471 I CB -0.315 37.699 38.000 0.023 0.000 1.078 471 I HN 0.079 nan 8.210 nan 0.000 0.421 472 F N 1.998 121.899 119.950 -0.081 0.000 2.134 472 F HA -0.177 4.376 4.527 0.044 0.000 0.299 472 F C 2.429 178.204 175.800 -0.042 0.000 1.097 472 F CA 1.217 59.158 58.000 -0.099 0.000 1.264 472 F CB -0.608 38.276 39.000 -0.193 0.000 1.001 472 F HN 0.013 nan 8.300 nan 0.000 0.479 473 A N 0.035 122.792 122.820 -0.106 0.000 1.933 473 A HA -0.219 4.126 4.320 0.042 0.000 0.218 473 A C 2.147 179.593 177.584 -0.231 0.000 1.175 473 A CA 1.770 53.680 52.037 -0.211 0.000 0.628 473 A CB -0.771 18.113 19.000 -0.193 0.000 0.814 473 A HN 0.612 nan 8.150 nan 0.000 0.444 474 Q N -1.163 118.541 119.800 -0.160 0.000 2.172 474 Q HA -0.087 4.279 4.340 0.042 0.000 0.200 474 Q C 2.322 178.214 176.000 -0.179 0.000 0.964 474 Q CA 1.075 56.793 55.803 -0.142 0.000 0.855 474 Q CB -0.110 28.573 28.738 -0.092 0.000 0.918 474 Q HN 0.645 nan 8.270 nan 0.000 0.444 475 R N 0.644 121.020 120.500 -0.206 0.000 2.066 475 R HA -0.083 4.283 4.340 0.042 0.000 0.232 475 R C 2.217 178.221 176.300 -0.493 0.000 1.131 475 R CA 1.020 56.918 56.100 -0.336 0.000 0.955 475 R CB -0.081 30.095 30.300 -0.207 0.000 0.851 475 R HN 0.203 nan 8.270 nan 0.000 0.432 476 L N -0.228 120.795 121.223 -0.333 0.000 2.093 476 L HA -0.130 4.235 4.340 0.042 0.000 0.208 476 L C 2.502 179.310 176.870 -0.104 0.000 1.085 476 L CA 1.087 55.832 54.840 -0.158 0.000 0.755 476 L CB -0.311 41.535 42.059 -0.355 0.000 0.904 476 L HN 0.241 nan 8.230 nan 0.000 0.435 477 M N -0.603 118.881 119.600 -0.194 0.000 2.149 477 M HA -0.201 4.304 4.480 0.042 0.000 0.261 477 M C 2.340 178.625 176.300 -0.026 0.000 1.064 477 M CA 1.597 56.820 55.300 -0.129 0.000 1.102 477 M CB -0.255 32.263 32.600 -0.137 0.000 1.369 477 M HN 0.088 nan 8.290 nan 0.000 0.408 478 K N -0.322 120.024 120.400 -0.090 0.000 2.057 478 K HA -0.131 4.214 4.320 0.042 0.000 0.206 478 K C 1.864 178.504 176.600 0.067 0.000 1.050 478 K CA 1.557 57.805 56.287 -0.065 0.000 0.935 478 K CB -0.237 32.163 32.500 -0.167 0.000 0.715 478 K HN 0.322 nan 8.250 nan 0.000 0.439 479 Y N -0.298 120.138 120.300 0.227 0.000 2.114 479 Y HA -0.220 4.355 4.550 0.042 0.000 0.284 479 Y C 2.429 178.486 175.900 0.263 0.000 1.143 479 Y CA 0.863 59.136 58.100 0.290 0.000 1.135 479 Y CB -0.880 37.889 38.460 0.516 0.000 0.980 479 Y HN 0.207 nan 8.280 nan 0.000 0.499 480 W N 0.678 122.060 121.300 0.136 0.000 2.358 480 W HA -0.220 4.465 4.660 0.041 0.000 0.303 480 W C 2.421 178.942 176.519 0.004 0.000 1.208 480 W CA 2.138 59.498 57.345 0.025 0.000 1.274 480 W CB -0.572 28.823 29.460 -0.109 0.000 1.138 480 W HN 0.243 nan 8.180 nan 0.000 0.515 481 T N -2.374 112.293 114.554 0.190 0.000 2.942 481 T HA -0.115 4.260 4.350 0.042 0.000 0.265 481 T C 1.449 176.184 174.700 0.058 0.000 1.062 481 T CA 1.000 63.144 62.100 0.073 0.000 1.139 481 T CB -0.554 68.334 68.868 0.034 0.000 0.883 481 T HN -0.052 nan 8.240 nan 0.000 0.468 482 N N 0.955 119.709 118.700 0.089 0.000 2.106 482 N HA 0.001 4.766 4.740 0.042 0.000 0.188 482 N C 1.440 176.953 175.510 0.005 0.000 1.029 482 N CA 1.032 54.112 53.050 0.050 0.000 0.848 482 N CB -0.653 37.883 38.487 0.082 0.000 1.007 482 N HN 0.435 nan 8.380 nan 0.000 0.423 483 F N 1.921 121.798 119.950 -0.121 0.000 2.120 483 F HA -0.189 4.363 4.527 0.043 0.000 0.300 483 F C 2.208 177.932 175.800 -0.127 0.000 1.095 483 F CA 1.512 59.386 58.000 -0.210 0.000 1.249 483 F CB -0.388 38.402 39.000 -0.350 0.000 0.995 483 F HN 0.040 nan 8.300 nan 0.000 0.480 484 A N 0.534 123.320 122.820 -0.056 0.000 1.902 484 A HA -0.191 4.154 4.320 0.042 0.000 0.217 484 A C 2.336 179.833 177.584 -0.146 0.000 1.181 484 A CA 1.776 53.756 52.037 -0.095 0.000 0.623 484 A CB -0.709 18.285 19.000 -0.009 0.000 0.818 484 A HN 0.467 nan 8.150 nan 0.000 0.443 485 R N -1.081 119.355 120.500 -0.107 0.000 2.092 485 R HA -0.070 4.295 4.340 0.042 0.000 0.231 485 R C 1.713 177.932 176.300 -0.135 0.000 1.119 485 R CA 1.805 57.850 56.100 -0.092 0.000 0.970 485 R CB -0.207 30.063 30.300 -0.050 0.000 0.864 485 R HN 0.736 nan 8.270 nan 0.000 0.440 486 T N -5.982 108.457 114.554 -0.192 0.000 3.080 486 T HA 0.253 4.628 4.350 0.042 0.000 0.280 486 T C 1.186 175.733 174.700 -0.254 0.000 0.926 486 T CA 0.296 62.290 62.100 -0.176 0.000 0.883 486 T CB 1.329 70.131 68.868 -0.110 0.000 1.194 486 T HN 0.308 nan 8.240 nan 0.000 0.541 487 G N 1.484 109.982 108.800 -0.503 0.000 2.184 487 G HA2 -0.201 3.785 3.960 0.042 0.000 0.264 487 G HA3 -0.201 3.785 3.960 0.042 0.000 0.264 487 G C -0.288 174.400 174.900 -0.355 0.000 0.975 487 G CA 0.299 44.984 45.100 -0.690 0.000 0.642 487 G HN 0.804 nan 8.290 nan 0.000 0.536 488 D N -0.309 119.937 120.400 -0.257 0.000 2.542 488 D HA 0.445 5.111 4.640 0.042 0.000 0.252 488 D C -1.272 174.874 176.300 -0.257 0.000 1.222 488 D CA -1.743 52.113 54.000 -0.239 0.000 0.895 488 D CB 2.007 42.775 40.800 -0.053 0.000 1.207 488 D HN 0.037 nan 8.370 nan 0.000 0.558 489 P HA -0.053 nan 4.420 nan 0.000 0.234 489 P C -0.069 177.280 177.300 0.081 0.000 1.167 489 P CA 0.107 63.081 63.100 -0.210 0.000 0.763 489 P CB 0.343 31.643 31.700 -0.667 0.000 0.835 490 N N 1.586 120.299 118.700 0.022 0.000 2.514 490 N HA 0.038 4.803 4.740 0.042 0.000 0.277 490 N C 0.022 175.611 175.510 0.132 0.000 1.126 490 N CA 0.119 53.266 53.050 0.161 0.000 0.978 490 N CB 0.400 38.968 38.487 0.135 0.000 1.106 490 N HN -0.040 nan 8.380 nan 0.000 0.461 491 D N 2.486 122.980 120.400 0.157 0.000 2.363 491 D HA 0.046 4.711 4.640 0.042 0.000 0.263 491 D C -1.365 174.978 176.300 0.072 0.000 1.258 491 D CA -1.304 52.753 54.000 0.095 0.000 0.907 491 D CB 0.896 41.745 40.800 0.082 0.000 1.107 491 D HN 0.324 nan 8.370 nan 0.000 0.495 492 P HA 0.001 nan 4.420 nan 0.000 0.245 492 P C 0.868 178.190 177.300 0.037 0.000 1.212 492 P CA 0.485 63.610 63.100 0.041 0.000 0.774 492 P CB 0.440 32.156 31.700 0.026 0.000 0.999 493 R N 0.344 120.866 120.500 0.037 0.000 2.119 493 R HA 0.049 4.415 4.340 0.042 0.000 0.202 493 R C 1.135 177.457 176.300 0.036 0.000 1.114 493 R CA 0.651 56.770 56.100 0.031 0.000 1.089 493 R CB -1.686 28.629 30.300 0.025 0.000 1.000 493 R HN 0.219 nan 8.270 nan 0.000 0.487 494 D N 2.045 122.470 120.400 0.042 0.000 2.455 494 D HA -0.043 4.623 4.640 0.042 0.000 0.265 494 D C -0.445 175.889 176.300 0.056 0.000 1.284 494 D CA 0.564 54.592 54.000 0.048 0.000 0.944 494 D CB 0.303 41.135 40.800 0.054 0.000 1.121 494 D HN 0.399 nan 8.370 nan 0.000 0.525 495 S N 3.783 119.512 115.700 0.048 0.000 2.584 495 S HA 0.293 4.788 4.470 0.042 0.000 0.273 495 S C -0.369 174.263 174.600 0.053 0.000 1.311 495 S CA -0.387 57.843 58.200 0.050 0.000 1.034 495 S CB 0.637 63.861 63.200 0.040 0.000 0.939 495 S HN 0.662 nan 8.310 nan 0.000 0.513 496 K N 1.784 122.219 120.400 0.058 0.000 6.958 496 K HA -0.147 4.198 4.320 0.042 0.000 0.778 496 K C 0.148 176.791 176.600 0.073 0.000 2.415 496 K CA 1.004 57.326 56.287 0.058 0.000 1.749 496 K CB -1.373 31.154 32.500 0.045 0.000 2.102 496 K HN 0.871 nan 8.250 nan 0.000 0.285 497 S N 2.111 117.861 115.700 0.083 0.000 3.113 497 S HA 0.340 4.835 4.470 0.042 0.000 0.265 497 S C -1.662 172.987 174.600 0.081 0.000 1.079 497 S CA 0.039 58.299 58.200 0.099 0.000 0.892 497 S CB -0.311 62.981 63.200 0.153 0.000 0.880 497 S HN 0.629 nan 8.310 nan 0.000 0.444 498 P HA 0.334 nan 4.420 nan 0.000 0.282 498 P C -0.671 176.697 177.300 0.112 0.000 1.286 498 P CA -0.151 62.995 63.100 0.077 0.000 0.777 498 P CB 0.351 32.082 31.700 0.053 0.000 1.184 499 Q N -1.304 118.573 119.800 0.128 0.000 2.312 499 Q HA 0.127 4.492 4.340 0.042 0.000 0.236 499 Q C -0.478 175.673 176.000 0.253 0.000 0.965 499 Q CA -0.021 55.895 55.803 0.189 0.000 0.894 499 Q CB 0.556 29.398 28.738 0.173 0.000 1.225 499 Q HN 0.534 nan 8.270 nan 0.000 0.478 500 W N 5.419 126.774 121.300 0.091 0.000 2.416 500 W HA 0.274 4.961 4.660 0.044 0.000 0.318 500 W C -2.408 174.245 176.519 0.223 0.000 1.150 500 W CA -2.448 54.961 57.345 0.106 0.000 1.392 500 W CB 0.180 29.646 29.460 0.010 0.000 1.311 500 W HN 0.377 nan 8.180 nan 0.000 0.436 501 P HA 0.269 nan 4.420 nan 0.000 0.277 501 P C -2.635 174.875 177.300 0.351 0.000 1.240 501 P CA -1.787 61.539 63.100 0.378 0.000 0.798 501 P CB 0.652 32.486 31.700 0.225 0.000 0.979 502 P HA 0.038 nan 4.420 nan 0.000 0.268 502 P C -0.563 176.723 177.300 -0.023 0.000 1.204 502 P CA 0.189 63.100 63.100 -0.314 0.000 0.768 502 P CB -0.039 31.457 31.700 -0.341 0.000 0.842 503 Y N 3.648 123.891 120.300 -0.096 0.000 2.465 503 Y HA 0.278 4.852 4.550 0.041 0.000 0.331 503 Y C 0.490 176.375 175.900 -0.025 0.000 1.102 503 Y CA 0.690 58.800 58.100 0.016 0.000 1.358 503 Y CB 0.128 38.622 38.460 0.056 0.000 1.213 503 Y HN 0.390 nan 8.280 nan 0.000 0.525 504 T N 0.343 114.657 114.554 -0.400 0.000 2.916 504 T HA 0.274 4.650 4.350 0.042 0.000 0.292 504 T C 0.846 175.283 174.700 -0.437 0.000 1.055 504 T CA -0.198 61.740 62.100 -0.270 0.000 1.009 504 T CB 1.388 70.170 68.868 -0.144 0.000 1.118 504 T HN 0.625 nan 8.240 nan 0.000 0.497 505 T N -0.941 113.491 114.554 -0.202 0.000 2.985 505 T HA 0.145 4.521 4.350 0.042 0.000 0.266 505 T C 2.208 176.841 174.700 -0.111 0.000 1.076 505 T CA 0.722 62.739 62.100 -0.139 0.000 1.135 505 T CB -0.687 68.176 68.868 -0.009 0.000 0.890 505 T HN 0.855 nan 8.240 nan 0.000 0.480 506 A N 2.341 125.104 122.820 -0.094 0.000 1.829 506 A HA 0.330 4.675 4.320 0.042 0.000 0.216 506 A C 2.795 180.331 177.584 -0.080 0.000 1.207 506 A CA 1.954 53.952 52.037 -0.064 0.000 0.622 506 A CB -1.496 17.476 19.000 -0.047 0.000 0.846 506 A HN 0.740 nan 8.150 nan 0.000 0.447 507 A N -2.476 120.280 122.820 -0.107 0.000 2.016 507 A HA 0.131 4.476 4.320 0.042 0.000 0.217 507 A C 1.154 178.667 177.584 -0.117 0.000 1.162 507 A CA 1.168 53.152 52.037 -0.087 0.000 0.662 507 A CB -0.406 18.555 19.000 -0.065 0.000 0.812 507 A HN 0.632 nan 8.150 nan 0.000 0.450 508 Q N -0.618 119.006 119.800 -0.292 0.000 2.457 508 Q HA -0.223 4.143 4.340 0.042 0.000 0.283 508 Q C -0.703 175.305 176.000 0.013 0.000 1.234 508 Q CA 0.763 56.334 55.803 -0.387 0.000 0.877 508 Q CB -1.528 27.169 28.738 -0.068 0.000 1.250 508 Q HN 0.855 nan 8.270 nan 0.000 0.481 509 Q N 0.285 120.089 119.800 0.007 0.000 2.293 509 Q HA 0.473 4.838 4.340 0.042 0.000 0.251 509 Q C -0.367 175.880 176.000 0.411 0.000 0.930 509 Q CA 0.021 55.911 55.803 0.145 0.000 0.893 509 Q CB 0.632 29.413 28.738 0.071 0.000 1.215 509 Q HN 0.335 nan 8.270 nan 0.000 0.425 510 Y N -1.944 118.503 120.300 0.245 0.000 2.625 510 Y HA 0.693 5.267 4.550 0.041 0.000 0.338 510 Y C -1.029 174.910 175.900 0.065 0.000 1.123 510 Y CA -1.546 56.709 58.100 0.258 0.000 1.046 510 Y CB 0.578 39.188 38.460 0.250 0.000 1.299 510 Y HN 0.385 nan 8.280 nan 0.000 0.464 511 V N -0.182 119.723 119.914 -0.014 0.000 2.881 511 V HA 0.854 4.999 4.120 0.042 0.000 0.316 511 V C -0.119 175.940 176.094 -0.059 0.000 1.070 511 V CA -0.453 61.667 62.300 -0.300 0.000 0.976 511 V CB 1.309 32.637 31.823 -0.826 0.000 1.038 511 V HN 1.190 nan 8.190 nan 0.000 0.446 512 S N 3.278 118.927 115.700 -0.084 0.000 2.480 512 S HA 0.702 5.197 4.470 0.042 0.000 0.286 512 S C -0.553 174.015 174.600 -0.053 0.000 1.180 512 S CA -0.699 57.513 58.200 0.021 0.000 1.075 512 S CB 0.628 63.838 63.200 0.017 0.000 0.996 512 S HN 0.758 nan 8.310 nan 0.000 0.487 513 L N 4.340 125.571 121.223 0.013 0.000 2.257 513 L HA 0.547 4.912 4.340 0.042 0.000 0.290 513 L C -0.048 176.734 176.870 -0.147 0.000 1.044 513 L CA -0.405 54.455 54.840 0.033 0.000 0.810 513 L CB 0.084 42.241 42.059 0.165 0.000 1.193 513 L HN 0.963 nan 8.230 nan 0.000 0.425 514 N N 2.246 120.800 118.700 -0.242 0.000 3.449 514 N HA 0.297 5.063 4.740 0.042 0.000 0.312 514 N C 0.034 175.025 175.510 -0.865 0.000 1.557 514 N CA -0.924 51.721 53.050 -0.674 0.000 0.864 514 N CB 0.559 38.825 38.487 -0.369 0.000 1.799 514 N HN 0.212 nan 8.380 nan 0.000 0.554 515 L N -0.611 120.129 121.223 -0.805 0.000 2.156 515 L HA 0.130 4.495 4.340 0.042 0.000 0.208 515 L C 0.654 177.351 176.870 -0.289 0.000 1.095 515 L CA 0.768 55.230 54.840 -0.629 0.000 0.770 515 L CB -0.460 41.300 42.059 -0.497 0.000 0.914 515 L HN 0.359 nan 8.230 nan 0.000 0.439 516 K N 0.652 120.924 120.400 -0.212 0.000 2.230 516 K HA 0.212 4.558 4.320 0.042 0.000 0.253 516 K C -2.156 174.402 176.600 -0.070 0.000 1.008 516 K CA -1.709 54.511 56.287 -0.111 0.000 0.910 516 K CB -0.443 32.005 32.500 -0.088 0.000 0.994 516 K HN -0.179 nan 8.250 nan 0.000 0.495 517 P HA -0.013 nan 4.420 nan 0.000 0.271 517 P C -0.002 177.296 177.300 -0.003 0.000 1.238 517 P CA -0.184 62.922 63.100 0.010 0.000 0.794 517 P CB 0.353 32.062 31.700 0.016 0.000 0.959 518 L N 0.846 122.080 121.223 0.018 0.000 2.559 518 L HA -0.022 4.343 4.340 0.042 0.000 0.282 518 L C 1.034 177.866 176.870 -0.062 0.000 1.232 518 L CA 0.905 55.715 54.840 -0.050 0.000 0.885 518 L CB -0.193 41.828 42.059 -0.064 0.000 1.131 518 L HN 0.497 nan 8.230 nan 0.000 0.498 519 E N 2.618 122.758 120.200 -0.101 0.000 2.224 519 E HA 0.373 4.749 4.350 0.042 0.000 0.265 519 E C -1.509 175.004 176.600 -0.145 0.000 0.878 519 E CA -0.735 55.609 56.400 -0.093 0.000 0.759 519 E CB 2.046 31.700 29.700 -0.076 0.000 1.164 519 E HN 0.286 nan 8.360 nan 0.000 0.414 520 V N 5.178 125.015 119.914 -0.128 0.000 2.406 520 V HA 0.403 4.549 4.120 0.042 0.000 0.272 520 V C 0.315 176.269 176.094 -0.233 0.000 1.043 520 V CA -0.270 61.928 62.300 -0.170 0.000 0.915 520 V CB 0.931 32.707 31.823 -0.078 0.000 0.988 520 V HN 0.669 nan 8.190 nan 0.000 0.466 521 R N 3.852 124.071 120.500 -0.467 0.000 2.856 521 R HA 0.753 5.118 4.340 0.042 0.000 0.258 521 R C -0.609 175.399 176.300 -0.486 0.000 1.066 521 R CA -0.983 54.808 56.100 -0.514 0.000 1.045 521 R CB 2.032 31.923 30.300 -0.680 0.000 1.178 521 R HN 0.577 nan 8.270 nan 0.000 0.499 522 R N -0.053 120.350 120.500 -0.161 0.000 2.513 522 R HA 0.443 4.808 4.340 0.042 0.000 0.301 522 R C -0.955 175.489 176.300 0.239 0.000 0.968 522 R CA -0.437 55.690 56.100 0.045 0.000 0.872 522 R CB 2.208 32.522 30.300 0.022 0.000 1.177 522 R HN 0.899 nan 8.270 nan 0.000 0.444 523 G N 2.479 111.508 108.800 0.380 0.000 3.445 523 G HA2 -0.197 3.788 3.960 0.042 0.000 0.680 523 G HA3 -0.197 3.788 3.960 0.042 0.000 0.680 523 G C -1.181 173.968 174.900 0.415 0.000 0.972 523 G CA -0.943 44.364 45.100 0.346 0.000 0.798 523 G HN 0.358 nan 8.290 nan 0.000 0.461 524 L N 4.547 125.917 121.223 0.246 0.000 2.358 524 L HA 0.515 4.880 4.340 0.042 0.000 0.274 524 L C 1.556 178.466 176.870 0.066 0.000 1.136 524 L CA -0.493 54.328 54.840 -0.033 0.000 0.970 524 L CB -0.446 41.499 42.059 -0.190 0.000 1.314 524 L HN 0.715 nan 8.230 nan 0.000 0.427 525 R N 2.731 123.302 120.500 0.118 0.000 3.251 525 R HA -0.272 4.093 4.340 0.042 0.000 0.249 525 R C 1.317 177.723 176.300 0.176 0.000 0.949 525 R CA 0.679 56.875 56.100 0.160 0.000 0.645 525 R CB -2.069 28.334 30.300 0.173 0.000 1.065 525 R HN 0.723 nan 8.270 nan 0.000 0.452 526 A N 0.758 123.680 122.820 0.169 0.000 1.892 526 A HA -0.259 4.086 4.320 0.042 0.000 0.218 526 A C 2.077 179.757 177.584 0.161 0.000 1.188 526 A CA 1.343 53.477 52.037 0.161 0.000 0.631 526 A CB -0.118 18.970 19.000 0.147 0.000 0.822 526 A HN 0.420 nan 8.150 nan 0.000 0.447 527 Q N -0.737 119.155 119.800 0.153 0.000 2.084 527 Q HA -0.114 4.251 4.340 0.042 0.000 0.202 527 Q C 2.225 178.350 176.000 0.208 0.000 0.978 527 Q CA 2.123 58.019 55.803 0.154 0.000 0.844 527 Q CB -1.134 27.679 28.738 0.124 0.000 0.898 527 Q HN 0.658 nan 8.270 nan 0.000 0.426 528 T N 0.229 114.930 114.554 0.245 0.000 2.896 528 T HA -0.071 4.304 4.350 0.042 0.000 0.263 528 T C 1.991 176.928 174.700 0.395 0.000 1.050 528 T CA 0.947 63.233 62.100 0.309 0.000 1.140 528 T CB -0.184 68.902 68.868 0.364 0.000 0.877 528 T HN 0.313 nan 8.240 nan 0.000 0.457 529 c N 1.755 120.567 118.600 0.353 0.000 2.432 529 c HA 0.217 4.812 4.570 0.042 0.000 0.280 529 c C 3.097 177.355 174.090 0.279 0.000 1.353 529 c CA 0.069 56.612 56.329 0.357 0.000 1.766 529 c CB -1.387 41.263 42.510 0.233 0.000 1.924 529 c HN 0.629 nan 8.230 nan 0.000 0.509 530 A N 0.331 123.283 122.820 0.221 0.000 1.902 530 A HA -0.198 4.147 4.320 0.042 0.000 0.217 530 A C 1.872 179.559 177.584 0.171 0.000 1.181 530 A CA 1.601 53.741 52.037 0.172 0.000 0.623 530 A CB -0.816 18.270 19.000 0.144 0.000 0.818 530 A HN 0.522 nan 8.150 nan 0.000 0.443 531 F N -0.762 119.187 119.950 -0.002 0.000 2.065 531 F HA -0.221 4.333 4.527 0.045 0.000 0.298 531 F C 1.971 177.722 175.800 -0.082 0.000 1.112 531 F CA 1.934 59.849 58.000 -0.142 0.000 1.212 531 F CB -0.587 38.072 39.000 -0.568 0.000 0.975 531 F HN 0.400 nan 8.300 nan 0.000 0.476 532 W N 0.317 121.608 121.300 -0.015 0.000 2.409 532 W HA -0.107 4.577 4.660 0.040 0.000 0.299 532 W C 2.198 178.666 176.519 -0.085 0.000 1.203 532 W CA 0.981 58.275 57.345 -0.084 0.000 1.298 532 W CB -0.515 29.012 29.460 0.112 0.000 1.127 532 W HN -0.048 nan 8.180 nan 0.000 0.528 533 N N -0.520 118.304 118.700 0.207 0.000 2.395 533 N HA 0.038 4.804 4.740 0.042 0.000 0.175 533 N C 1.515 177.057 175.510 0.054 0.000 1.029 533 N CA 0.844 53.964 53.050 0.118 0.000 0.897 533 N CB -0.229 38.327 38.487 0.114 0.000 0.991 533 N HN 0.206 nan 8.380 nan 0.000 0.441 534 R N -1.131 119.400 120.500 0.052 0.000 2.121 534 R HA 0.223 4.588 4.340 0.042 0.000 0.206 534 R C 1.376 177.692 176.300 0.027 0.000 1.094 534 R CA 0.212 56.341 56.100 0.048 0.000 1.055 534 R CB -0.100 30.252 30.300 0.086 0.000 0.964 534 R HN 0.077 nan 8.270 nan 0.000 0.473 535 F N 1.048 120.894 119.950 -0.173 0.000 2.374 535 F HA 0.101 4.654 4.527 0.043 0.000 0.291 535 F C 1.844 177.451 175.800 -0.322 0.000 1.084 535 F CA 0.555 58.424 58.000 -0.217 0.000 1.413 535 F CB -0.007 38.878 39.000 -0.191 0.000 1.099 535 F HN -0.119 nan 8.300 nan 0.000 0.534 536 L N 1.427 122.289 121.223 -0.602 0.000 2.046 536 L HA -0.093 4.272 4.340 0.042 0.000 0.208 536 L C -0.636 175.979 176.870 -0.425 0.000 1.077 536 L CA 2.028 56.468 54.840 -0.665 0.000 0.747 536 L CB -2.073 39.592 42.059 -0.657 0.000 0.896 536 L HN 0.075 nan 8.230 nan 0.000 0.432 537 P HA -0.165 nan 4.420 nan 0.000 0.215 537 P C 1.512 178.677 177.300 -0.225 0.000 1.153 537 P CA 1.427 64.418 63.100 -0.182 0.000 0.853 537 P CB -0.025 31.611 31.700 -0.106 0.000 0.788 538 K N -0.738 119.485 120.400 -0.295 0.000 2.026 538 K HA -0.126 4.219 4.320 0.042 0.000 0.208 538 K C 2.018 178.418 176.600 -0.334 0.000 1.048 538 K CA 1.045 57.169 56.287 -0.272 0.000 0.929 538 K CB -1.126 31.229 32.500 -0.242 0.000 0.713 538 K HN 0.067 nan 8.250 nan 0.000 0.439 539 L N 1.811 122.689 121.223 -0.575 0.000 2.051 539 L HA -0.208 4.157 4.340 0.042 0.000 0.214 539 L C 1.925 178.646 176.870 -0.248 0.000 1.076 539 L CA 1.633 56.189 54.840 -0.473 0.000 0.758 539 L CB -0.365 41.309 42.059 -0.642 0.000 0.890 539 L HN 0.129 nan 8.230 nan 0.000 0.433 540 L N -1.356 119.735 121.223 -0.221 0.000 2.049 540 L HA -0.108 4.257 4.340 0.042 0.000 0.203 540 L C 2.723 179.531 176.870 -0.102 0.000 1.074 540 L CA 1.182 55.944 54.840 -0.131 0.000 0.749 540 L CB -0.951 41.044 42.059 -0.107 0.000 0.907 540 L HN 0.468 nan 8.230 nan 0.000 0.439 541 S N 0.459 116.094 115.700 -0.108 0.000 2.380 541 S HA -0.257 4.238 4.470 0.042 0.000 0.229 541 S C 1.782 176.342 174.600 -0.067 0.000 1.043 541 S CA 1.392 59.545 58.200 -0.079 0.000 1.038 541 S CB -0.368 62.786 63.200 -0.077 0.000 0.872 541 S HN 0.388 nan 8.310 nan 0.000 0.456 542 A N 0.839 123.611 122.820 -0.079 0.000 2.712 542 A HA 0.489 4.834 4.320 0.042 0.000 0.211 542 A C 1.010 178.561 177.584 -0.054 0.000 1.877 542 A CA 0.917 52.918 52.037 -0.059 0.000 0.686 542 A CB -1.020 17.947 19.000 -0.055 0.000 1.308 542 A HN 1.237 nan 8.150 nan 0.000 0.498 543 T N -0.921 113.598 114.554 -0.058 0.000 1.969 543 T HA 0.407 4.782 4.350 0.042 0.000 0.592 543 T C -0.359 174.327 174.700 -0.023 0.000 0.903 543 T CA 0.817 62.892 62.100 -0.041 0.000 3.149 543 T CB -2.100 66.742 68.868 -0.043 0.000 1.870 543 T HN 2.399 nan 8.240 nan 0.000 0.458 544 A N 0.000 122.812 122.820 -0.013 0.000 2.254 544 A HA 0.000 4.345 4.320 0.042 0.000 0.244 544 A CA 0.000 nan 52.037 nan 0.000 0.836 544 A CB 0.000 19.025 19.000 0.042 0.000 0.831 544 A HN 0.000 nan 8.150 nan 0.000 0.486