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 2wu4_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 ARTGDPNDPX XXXXPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKL 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 0.000 176.623 176.600 0.038 0.000 1.382 4 E CA 0.000 56.418 56.400 0.030 0.000 0.976 4 E CB 0.000 29.717 29.700 0.028 0.000 0.812 5 D N 4.451 124.881 120.400 0.049 0.000 2.434 5 D HA 0.064 4.727 4.640 0.038 0.000 0.252 5 D C -1.538 174.793 176.300 0.052 0.000 1.185 5 D CA -1.646 52.392 54.000 0.064 0.000 0.886 5 D CB 1.435 42.298 40.800 0.105 0.000 1.148 5 D HN 0.243 nan 8.370 nan 0.000 0.483 6 P HA -0.048 nan 4.420 nan 0.000 0.225 6 P C 1.095 178.400 177.300 0.008 0.000 1.156 6 P CA 0.468 63.578 63.100 0.017 0.000 0.787 6 P CB 0.353 32.053 31.700 0.000 0.000 0.802 7 Q N -0.609 119.173 119.800 -0.030 0.000 2.364 7 Q HA 0.011 4.374 4.340 0.038 0.000 0.209 7 Q C 1.556 177.600 176.000 0.075 0.000 0.977 7 Q CA 0.969 56.721 55.803 -0.086 0.000 0.885 7 Q CB -0.317 28.173 28.738 -0.414 0.000 0.941 7 Q HN 0.395 nan 8.270 nan 0.000 0.464 8 L N -0.381 120.907 121.223 0.110 0.000 2.693 8 L HA 0.252 4.615 4.340 0.038 0.000 0.235 8 L C 0.314 177.350 176.870 0.277 0.000 1.127 8 L CA -0.109 54.825 54.840 0.156 0.000 0.914 8 L CB 0.477 42.564 42.059 0.046 0.000 1.193 8 L HN -0.014 nan 8.230 nan 0.000 0.502 9 L N 0.898 122.238 121.223 0.194 0.000 2.287 9 L HA 0.557 4.920 4.340 0.038 0.000 0.287 9 L C -0.943 175.964 176.870 0.062 0.000 1.022 9 L CA -0.425 54.504 54.840 0.148 0.000 0.814 9 L CB 2.152 44.258 42.059 0.078 0.000 1.217 9 L HN -0.217 nan 8.230 nan 0.000 0.420 10 V N 3.887 123.801 119.914 -0.001 0.000 2.841 10 V HA 0.485 4.628 4.120 0.038 0.000 0.310 10 V C -0.489 175.519 176.094 -0.143 0.000 1.090 10 V CA -0.817 61.340 62.300 -0.237 0.000 0.930 10 V CB 2.426 33.808 31.823 -0.735 0.000 1.014 10 V HN 0.691 nan 8.190 nan 0.000 0.425 11 R N 2.912 123.308 120.500 -0.173 0.000 2.265 11 R HA 0.750 5.113 4.340 0.038 0.000 0.328 11 R C -0.743 175.474 176.300 -0.139 0.000 0.969 11 R CA -0.334 55.706 56.100 -0.100 0.000 0.832 11 R CB 1.559 31.807 30.300 -0.086 0.000 1.139 11 R HN 0.725 nan 8.270 nan 0.000 0.457 12 V N 1.757 121.645 119.914 -0.043 0.000 3.193 12 V HA 0.453 4.596 4.120 0.038 0.000 0.320 12 V C 1.268 177.297 176.094 -0.107 0.000 1.112 12 V CA -0.852 61.420 62.300 -0.045 0.000 1.026 12 V CB 1.766 33.701 31.823 0.187 0.000 1.128 12 V HN 0.866 nan 8.190 nan 0.000 0.452 13 R N 1.464 121.883 120.500 -0.136 0.000 2.133 13 R HA -0.122 4.241 4.340 0.038 0.000 0.247 13 R C 2.019 178.167 176.300 -0.255 0.000 1.151 13 R CA 1.968 57.973 56.100 -0.159 0.000 0.971 13 R CB -0.786 29.439 30.300 -0.126 0.000 0.866 13 R HN 0.996 nan 8.270 nan 0.000 0.447 14 G N -0.620 107.964 108.800 -0.361 0.000 2.813 14 G HA2 0.285 4.268 3.960 0.038 0.000 0.209 14 G HA3 0.285 4.268 3.960 0.038 0.000 0.209 14 G C 0.432 174.359 174.900 -1.621 0.000 1.150 14 G CA 0.522 45.096 45.100 -0.876 0.000 0.785 14 G HN 0.615 nan 8.290 nan 0.000 0.535 15 G N -1.232 106.965 108.800 -1.005 0.000 2.325 15 G HA2 0.110 4.093 3.960 0.038 0.000 0.285 15 G HA3 0.110 4.093 3.960 0.038 0.000 0.285 15 G C -1.100 173.805 174.900 0.008 0.000 1.303 15 G CA -0.912 43.766 45.100 -0.702 0.000 0.970 15 G HN 0.304 nan 8.290 nan 0.000 0.490 16 Q N -0.739 119.219 119.800 0.264 0.000 2.260 16 Q HA 0.741 5.104 4.340 0.038 0.000 0.242 16 Q C -0.405 175.881 176.000 0.476 0.000 0.932 16 Q CA -0.221 55.764 55.803 0.303 0.000 0.891 16 Q CB 1.459 30.311 28.738 0.191 0.000 1.222 16 Q HN 0.463 nan 8.270 nan 0.000 0.453 17 L N 1.313 122.725 121.223 0.315 0.000 2.409 17 L HA 0.602 4.965 4.340 0.038 0.000 0.262 17 L C -0.735 176.304 176.870 0.281 0.000 0.992 17 L CA -0.734 54.286 54.840 0.300 0.000 0.817 17 L CB 2.302 44.569 42.059 0.347 0.000 1.350 17 L HN 0.463 nan 8.230 nan 0.000 0.411 18 R N 0.810 121.455 120.500 0.242 0.000 2.439 18 R HA 0.664 5.027 4.340 0.038 0.000 0.310 18 R C -0.247 176.147 176.300 0.158 0.000 0.955 18 R CA -0.323 55.902 56.100 0.209 0.000 0.853 18 R CB 1.712 32.074 30.300 0.103 0.000 1.171 18 R HN 0.804 nan 8.270 nan 0.000 0.449 19 G N 3.381 112.214 108.800 0.056 0.000 2.543 19 G HA2 0.448 4.431 3.960 0.038 0.000 0.267 19 G HA3 0.448 4.431 3.960 0.038 0.000 0.267 19 G C -0.914 173.802 174.900 -0.307 0.000 1.406 19 G CA -0.680 44.169 45.100 -0.417 0.000 1.048 19 G HN 0.583 nan 8.290 nan 0.000 0.548 20 I N -0.863 119.480 120.570 -0.378 0.000 2.686 20 I HA 0.505 4.698 4.170 0.038 0.000 0.295 20 I C -0.314 175.694 176.117 -0.183 0.000 1.114 20 I CA -1.091 60.079 61.300 -0.216 0.000 1.038 20 I CB 2.174 40.057 38.000 -0.194 0.000 1.238 20 I HN 0.466 nan 8.210 nan 0.000 0.420 21 R N 7.525 127.967 120.500 -0.096 0.000 2.267 21 R HA 0.554 4.917 4.340 0.038 0.000 0.319 21 R C -1.620 174.618 176.300 -0.104 0.000 1.067 21 R CA -0.253 55.803 56.100 -0.074 0.000 0.936 21 R CB 0.616 30.855 30.300 -0.102 0.000 1.006 21 R HN 0.638 nan 8.270 nan 0.000 0.452 22 L N 3.093 124.267 121.223 -0.083 0.000 2.322 22 L HA 0.492 4.855 4.340 0.038 0.000 0.269 22 L C -0.383 176.434 176.870 -0.088 0.000 1.012 22 L CA -1.318 53.480 54.840 -0.071 0.000 0.815 22 L CB 1.774 43.820 42.059 -0.021 0.000 1.295 22 L HN 0.447 nan 8.230 nan 0.000 0.438 23 K N 1.380 121.729 120.400 -0.085 0.000 2.211 23 K HA 0.664 5.007 4.320 0.038 0.000 0.275 23 K C -0.801 175.742 176.600 -0.095 0.000 1.024 23 K CA -0.124 56.112 56.287 -0.085 0.000 0.887 23 K CB 1.515 33.976 32.500 -0.065 0.000 1.084 23 K HN 0.627 nan 8.250 nan 0.000 0.463 24 A N 5.307 128.076 122.820 -0.085 0.000 2.322 24 A HA 0.573 4.916 4.320 0.038 0.000 0.327 24 A C -1.913 175.678 177.584 0.012 0.000 1.134 24 A CA -1.688 50.301 52.037 -0.080 0.000 0.831 24 A CB 0.640 19.576 19.000 -0.107 0.000 1.288 24 A HN 0.656 nan 8.150 nan 0.000 0.472 25 P HA -0.145 nan 4.420 nan 0.000 0.216 25 P C 1.245 178.573 177.300 0.047 0.000 1.154 25 P CA 2.211 65.361 63.100 0.082 0.000 0.865 25 P CB 0.212 31.986 31.700 0.123 0.000 0.789 26 G N -2.491 106.338 108.800 0.048 0.000 3.088 26 G HA2 0.468 4.451 3.960 0.038 0.000 0.217 26 G HA3 0.468 4.451 3.960 0.038 0.000 0.217 26 G C 0.498 175.408 174.900 0.018 0.000 1.159 26 G CA 0.423 45.542 45.100 0.033 0.000 0.760 26 G HN 0.617 nan 8.290 nan 0.000 0.550 27 G N -0.337 108.464 108.800 0.002 0.000 2.369 27 G HA2 0.289 4.272 3.960 0.038 0.000 0.295 27 G HA3 0.289 4.272 3.960 0.038 0.000 0.295 27 G C -3.355 171.516 174.900 -0.047 0.000 1.298 27 G CA -0.720 44.368 45.100 -0.020 0.000 0.940 27 G HN 0.052 nan 8.290 nan 0.000 0.536 28 P HA 0.505 nan 4.420 nan 0.000 0.275 28 P C -0.030 177.252 177.300 -0.030 0.000 1.228 28 P CA -0.096 62.895 63.100 -0.181 0.000 0.786 28 P CB 1.624 33.014 31.700 -0.517 0.000 0.927 29 V N -0.996 118.922 119.914 0.007 0.000 2.962 29 V HA 0.624 4.767 4.120 0.038 0.000 0.313 29 V C -0.362 175.843 176.094 0.186 0.000 1.099 29 V CA -0.903 61.489 62.300 0.153 0.000 0.971 29 V CB 1.881 33.789 31.823 0.143 0.000 1.028 29 V HN 0.421 nan 8.190 nan 0.000 0.430 30 S N 2.296 118.148 115.700 0.253 0.000 2.438 30 S HA 0.828 5.321 4.470 0.038 0.000 0.293 30 S C 0.082 174.653 174.600 -0.048 0.000 1.141 30 S CA 0.000 58.267 58.200 0.111 0.000 1.080 30 S CB 1.084 64.394 63.200 0.183 0.000 0.978 30 S HN 1.523 nan 8.310 nan 0.000 0.479 31 A N 3.019 125.646 122.820 -0.320 0.000 2.331 31 A HA 0.816 5.159 4.320 0.038 0.000 0.320 31 A C -1.056 176.095 177.584 -0.722 0.000 1.138 31 A CA -0.639 51.117 52.037 -0.469 0.000 0.790 31 A CB 0.385 19.118 19.000 -0.445 0.000 1.206 31 A HN 0.699 nan 8.150 nan 0.000 0.470 32 F N 2.764 122.545 119.950 -0.282 0.000 2.434 32 F HA 0.451 5.001 4.527 0.038 0.000 0.367 32 F C -0.242 175.363 175.800 -0.325 0.000 1.093 32 F CA -0.272 57.628 58.000 -0.167 0.000 1.085 32 F CB 1.208 40.254 39.000 0.077 0.000 1.322 32 F HN 0.335 nan 8.300 nan 0.000 0.452 33 L N 2.167 123.230 121.223 -0.265 0.000 2.325 33 L HA 0.734 5.097 4.340 0.038 0.000 0.278 33 L C 0.905 177.668 176.870 -0.179 0.000 1.023 33 L CA -0.968 53.651 54.840 -0.368 0.000 0.811 33 L CB 1.643 43.277 42.059 -0.708 0.000 1.249 33 L HN 0.812 nan 8.230 nan 0.000 0.431 34 G N 3.013 111.768 108.800 -0.075 0.000 2.212 34 G HA2 -0.240 3.743 3.960 0.038 0.000 0.255 34 G HA3 -0.240 3.743 3.960 0.038 0.000 0.255 34 G C -0.133 174.808 174.900 0.067 0.000 1.062 34 G CA -0.417 44.655 45.100 -0.047 0.000 0.815 34 G HN 0.482 nan 8.290 nan 0.000 0.497 35 I N 1.579 122.197 120.570 0.081 0.000 2.471 35 I HA 0.233 4.426 4.170 0.038 0.000 0.286 35 I C -1.639 174.533 176.117 0.091 0.000 1.079 35 I CA -2.125 59.198 61.300 0.040 0.000 1.398 35 I CB 0.992 38.939 38.000 -0.089 0.000 1.403 35 I HN -0.052 nan 8.210 nan 0.000 0.530 36 P HA 0.076 nan 4.420 nan 0.000 0.276 36 P C -0.213 176.981 177.300 -0.178 0.000 1.235 36 P CA -0.031 62.873 63.100 -0.325 0.000 0.772 36 P CB 0.371 31.903 31.700 -0.279 0.000 0.871 37 F N 0.915 120.677 119.950 -0.313 0.000 2.728 37 F HA 0.738 5.288 4.527 0.038 0.000 0.314 37 F C 0.133 175.908 175.800 -0.042 0.000 1.094 37 F CA -0.697 57.191 58.000 -0.187 0.000 1.217 37 F CB 0.109 38.904 39.000 -0.341 0.000 1.056 37 F HN 0.289 nan 8.300 nan 0.000 0.577 38 A N 0.184 122.713 122.820 -0.485 0.000 2.566 38 A HA 0.585 4.928 4.320 0.038 0.000 0.292 38 A C -0.743 176.680 177.584 -0.268 0.000 1.112 38 A CA -0.791 51.076 52.037 -0.284 0.000 0.707 38 A CB 0.976 19.758 19.000 -0.364 0.000 1.302 38 A HN 0.074 nan 8.150 nan 0.000 0.409 39 E N 1.174 121.296 120.200 -0.130 0.000 2.414 39 E HA 0.196 4.569 4.350 0.038 0.000 0.263 39 E C -2.285 174.217 176.600 -0.162 0.000 1.000 39 E CA -1.138 55.198 56.400 -0.107 0.000 0.914 39 E CB -0.067 29.608 29.700 -0.043 0.000 0.948 39 E HN 0.237 nan 8.360 nan 0.000 0.444 40 P HA 0.001 nan 4.420 nan 0.000 0.262 40 P C -2.215 175.017 177.300 -0.112 0.000 1.182 40 P CA -0.736 62.275 63.100 -0.148 0.000 0.761 40 P CB 0.010 31.657 31.700 -0.087 0.000 0.795 41 P HA 0.032 nan 4.420 nan 0.000 0.214 41 P C -0.385 176.852 177.300 -0.105 0.000 1.826 41 P CA 0.023 63.066 63.100 -0.095 0.000 0.977 41 P CB 0.003 31.651 31.700 -0.087 0.000 1.930 42 V N -2.565 117.293 119.914 -0.094 0.000 3.166 42 V HA 0.887 5.030 4.120 0.038 0.000 0.317 42 V C 1.089 177.132 176.094 -0.084 0.000 1.136 42 V CA 0.074 62.313 62.300 -0.100 0.000 1.035 42 V CB 0.761 32.533 31.823 -0.086 0.000 1.110 42 V HN 0.516 nan 8.190 nan 0.000 0.450 43 G N 1.890 110.640 108.800 -0.083 0.000 2.665 43 G HA2 -0.394 3.589 3.960 0.038 0.000 0.326 43 G HA3 -0.394 3.589 3.960 0.038 0.000 0.326 43 G C 1.356 176.221 174.900 -0.058 0.000 1.231 43 G CA 2.078 47.142 45.100 -0.059 0.000 0.992 43 G HN 2.394 nan 8.290 nan 0.000 0.549 44 S N 0.612 116.293 115.700 -0.033 0.000 2.555 44 S HA 0.096 4.589 4.470 0.038 0.000 0.230 44 S C 1.957 176.545 174.600 -0.019 0.000 0.978 44 S CA 1.417 59.609 58.200 -0.015 0.000 0.934 44 S CB -0.070 63.131 63.200 0.001 0.000 0.766 44 S HN 0.677 nan 8.310 nan 0.000 0.533 45 R N 0.641 121.114 120.500 -0.044 0.000 2.317 45 R HA 0.246 4.609 4.340 0.038 0.000 0.208 45 R C 0.923 177.174 176.300 -0.080 0.000 0.914 45 R CA -0.239 55.836 56.100 -0.041 0.000 1.060 45 R CB 0.008 30.283 30.300 -0.041 0.000 1.015 45 R HN 0.391 nan 8.270 nan 0.000 0.498 46 R N 0.952 121.352 120.500 -0.167 0.000 2.570 46 R HA -0.111 4.252 4.340 0.038 0.000 0.277 46 R C -0.375 175.692 176.300 -0.388 0.000 1.039 46 R CA 0.551 56.424 56.100 -0.379 0.000 1.065 46 R CB 0.169 30.105 30.300 -0.607 0.000 0.964 46 R HN 0.096 nan 8.270 nan 0.000 0.428 47 F N -0.833 119.141 119.950 0.041 0.000 2.748 47 F HA -0.311 4.239 4.527 0.038 0.000 0.370 47 F C 0.103 175.899 175.800 -0.006 0.000 0.620 47 F CA 0.682 58.681 58.000 -0.002 0.000 1.233 47 F CB -1.788 37.199 39.000 -0.022 0.000 1.708 47 F HN 0.477 nan 8.300 nan 0.000 0.298 48 M N 1.029 120.698 119.600 0.114 0.000 2.444 48 M HA 0.418 4.921 4.480 0.038 0.000 0.319 48 M C -1.989 174.343 176.300 0.053 0.000 1.183 48 M CA -1.517 53.831 55.300 0.080 0.000 1.032 48 M CB 0.777 33.409 32.600 0.054 0.000 1.569 48 M HN -0.378 nan 8.290 nan 0.000 0.468 49 P HA 0.052 nan 4.420 nan 0.000 0.266 49 P C -2.451 174.880 177.300 0.051 0.000 1.193 49 P CA -0.457 62.679 63.100 0.059 0.000 0.770 49 P CB -0.447 31.295 31.700 0.071 0.000 0.836 50 P HA 0.167 nan 4.420 nan 0.000 0.275 50 P C -0.509 176.826 177.300 0.058 0.000 1.228 50 P CA 0.133 63.261 63.100 0.046 0.000 0.786 50 P CB 0.789 32.539 31.700 0.082 0.000 0.927 51 E N 2.532 122.751 120.200 0.033 0.000 2.202 51 E HA 0.425 4.798 4.350 0.038 0.000 0.272 51 E C -2.294 174.340 176.600 0.056 0.000 0.951 51 E CA -2.447 53.981 56.400 0.046 0.000 0.813 51 E CB 0.337 30.054 29.700 0.029 0.000 1.151 51 E HN 0.304 nan 8.360 nan 0.000 0.398 52 P HA 0.020 nan 4.420 nan 0.000 0.268 52 P C -0.334 177.027 177.300 0.101 0.000 1.205 52 P CA -0.255 62.920 63.100 0.125 0.000 0.771 52 P CB 0.422 32.204 31.700 0.136 0.000 0.858 53 K N 3.689 124.167 120.400 0.129 0.000 2.472 53 K HA -0.003 4.340 4.320 0.038 0.000 0.280 53 K C 0.046 176.751 176.600 0.175 0.000 1.028 53 K CA 0.436 56.805 56.287 0.137 0.000 1.045 53 K CB 0.035 32.663 32.500 0.213 0.000 0.902 53 K HN 0.272 nan 8.250 nan 0.000 0.478 54 R N 5.135 125.720 120.500 0.142 0.000 2.679 54 R HA 0.097 4.460 4.340 0.038 0.000 0.268 54 R C -1.978 174.434 176.300 0.187 0.000 1.044 54 R CA -1.432 54.745 56.100 0.127 0.000 1.105 54 R CB -0.060 30.298 30.300 0.097 0.000 0.989 54 R HN 0.576 nan 8.270 nan 0.000 0.447 55 P HA -0.098 nan 4.420 nan 0.000 0.267 55 P C -1.225 176.103 177.300 0.047 0.000 1.201 55 P CA 0.269 63.293 63.100 -0.127 0.000 0.775 55 P CB 0.318 31.926 31.700 -0.154 0.000 0.854 56 W N 0.542 121.873 121.300 0.052 0.000 2.962 56 W HA 0.677 5.360 4.660 0.038 0.000 0.341 56 W C -0.694 175.849 176.519 0.041 0.000 1.155 56 W CA -0.969 56.404 57.345 0.047 0.000 1.165 56 W CB 0.015 29.510 29.460 0.059 0.000 1.435 56 W HN 0.376 nan 8.180 nan 0.000 0.546 57 S N 1.482 117.349 115.700 0.277 0.000 2.669 57 S HA 0.794 5.287 4.470 0.038 0.000 0.270 57 S C 0.747 175.500 174.600 0.255 0.000 1.225 57 S CA 0.056 58.359 58.200 0.172 0.000 0.991 57 S CB 0.678 63.947 63.200 0.114 0.000 0.987 57 S HN 2.127 nan 8.310 nan 0.000 0.552 58 G N -0.281 108.615 108.800 0.160 0.000 2.591 58 G HA2 -0.186 3.797 3.960 0.038 0.000 0.278 58 G HA3 -0.186 3.797 3.960 0.038 0.000 0.278 58 G C -0.549 174.491 174.900 0.232 0.000 1.293 58 G CA -0.095 45.100 45.100 0.159 0.000 0.930 58 G HN 1.663 nan 8.290 nan 0.000 0.562 59 V N 0.662 120.682 119.914 0.176 0.000 2.334 59 V HA 0.498 4.641 4.120 0.038 0.000 0.281 59 V C 0.392 176.562 176.094 0.126 0.000 1.016 59 V CA -0.541 61.867 62.300 0.180 0.000 0.832 59 V CB 1.200 33.094 31.823 0.119 0.000 0.999 59 V HN 0.784 nan 8.190 nan 0.000 0.439 60 L N 4.513 125.808 121.223 0.119 0.000 2.360 60 L HA 0.357 4.720 4.340 0.038 0.000 0.276 60 L C 0.336 177.181 176.870 -0.042 0.000 1.121 60 L CA 0.178 54.957 54.840 -0.101 0.000 0.845 60 L CB 0.807 42.555 42.059 -0.517 0.000 1.143 60 L HN 0.778 nan 8.230 nan 0.000 0.452 61 D N 4.466 124.828 120.400 -0.063 0.000 2.346 61 D HA 0.332 4.995 4.640 0.038 0.000 0.260 61 D C -0.161 176.100 176.300 -0.064 0.000 1.252 61 D CA 0.327 54.299 54.000 -0.046 0.000 0.895 61 D CB 0.794 41.560 40.800 -0.057 0.000 1.097 61 D HN 0.646 nan 8.370 nan 0.000 0.489 62 A N 3.420 126.229 122.820 -0.018 0.000 3.219 62 A HA 0.315 4.658 4.320 0.038 0.000 0.314 62 A C 0.871 178.390 177.584 -0.107 0.000 1.081 62 A CA -0.308 51.714 52.037 -0.026 0.000 0.995 62 A CB -0.184 18.895 19.000 0.132 0.000 1.067 62 A HN 0.584 nan 8.150 nan 0.000 0.533 63 T N -3.886 110.579 114.554 -0.148 0.000 3.040 63 T HA 0.351 4.724 4.350 0.038 0.000 0.266 63 T C 0.411 174.969 174.700 -0.237 0.000 1.005 63 T CA 0.480 62.465 62.100 -0.192 0.000 0.906 63 T CB 0.263 69.050 68.868 -0.136 0.000 1.082 63 T HN 0.389 nan 8.240 nan 0.000 0.531 64 T N 0.640 115.045 114.554 -0.248 0.000 2.923 64 T HA 0.577 4.950 4.350 0.038 0.000 0.311 64 T C -1.594 172.956 174.700 -0.250 0.000 1.183 64 T CA -0.736 61.214 62.100 -0.250 0.000 1.020 64 T CB 0.721 69.504 68.868 -0.143 0.000 1.165 64 T HN 0.079 nan 8.240 nan 0.000 0.482 65 F N 3.261 123.143 119.950 -0.112 0.000 2.563 65 F HA 0.302 4.853 4.527 0.039 0.000 0.363 65 F C 1.422 177.116 175.800 -0.177 0.000 1.123 65 F CA 0.024 57.956 58.000 -0.115 0.000 1.307 65 F CB 0.572 39.534 39.000 -0.063 0.000 1.115 65 F HN 0.418 nan 8.300 nan 0.000 0.592 66 Q N 1.713 121.498 119.800 -0.024 0.000 2.308 66 Q HA 0.160 4.523 4.340 0.038 0.000 0.207 66 Q C -0.088 175.817 176.000 -0.158 0.000 1.035 66 Q CA -0.562 55.066 55.803 -0.292 0.000 1.008 66 Q CB 0.448 28.680 28.738 -0.843 0.000 1.168 66 Q HN 0.507 nan 8.270 nan 0.000 0.565 67 N N -0.357 118.225 118.700 -0.197 0.000 2.395 67 N HA -0.007 4.756 4.740 0.038 0.000 0.246 67 N C -0.558 174.922 175.510 -0.050 0.000 1.246 67 N CA 0.126 53.118 53.050 -0.097 0.000 0.879 67 N CB 0.309 38.754 38.487 -0.071 0.000 1.098 67 N HN 0.171 nan 8.380 nan 0.000 0.444 68 V N 1.749 121.615 119.914 -0.080 0.000 2.583 68 V HA 0.069 4.212 4.120 0.038 0.000 0.287 68 V C 0.626 176.671 176.094 -0.082 0.000 1.051 68 V CA -0.806 61.436 62.300 -0.097 0.000 1.010 68 V CB 0.897 32.623 31.823 -0.162 0.000 0.988 68 V HN 0.705 nan 8.190 nan 0.000 0.478 69 c N 4.479 123.047 118.600 -0.054 0.000 2.657 69 c HA 0.102 4.695 4.570 0.038 0.000 0.420 69 c C 0.500 174.551 174.090 -0.066 0.000 1.323 69 c CA -0.602 55.706 56.329 -0.035 0.000 1.894 69 c CB -1.049 41.470 42.510 0.016 0.000 2.681 69 c HN 0.750 nan 8.230 nan 0.000 0.613 70 Y N 4.066 124.229 120.300 -0.229 0.000 2.721 70 Y HA 0.224 4.797 4.550 0.039 0.000 0.329 70 Y C 0.796 176.724 175.900 0.046 0.000 1.211 70 Y CA 1.116 59.079 58.100 -0.228 0.000 1.512 70 Y CB 0.132 38.233 38.460 -0.598 0.000 1.249 70 Y HN 0.759 nan 8.280 nan 0.000 0.549 71 Q N 4.210 123.930 119.800 -0.133 0.000 2.633 71 Q HA 0.219 4.582 4.340 0.038 0.000 0.289 71 Q C -1.835 174.201 176.000 0.060 0.000 0.940 71 Q CA -1.221 54.662 55.803 0.133 0.000 0.785 71 Q CB 1.289 30.063 28.738 0.061 0.000 1.467 71 Q HN 0.662 nan 8.270 nan 0.000 0.401 72 Y N 1.065 121.418 120.300 0.088 0.000 2.497 72 Y HA 0.389 4.962 4.550 0.038 0.000 0.334 72 Y C -0.997 174.886 175.900 -0.029 0.000 1.199 72 Y CA 0.154 58.270 58.100 0.026 0.000 1.425 72 Y CB 0.983 39.449 38.460 0.010 0.000 1.291 72 Y HN 0.429 nan 8.280 nan 0.000 0.562 73 V N 6.245 125.624 119.914 -0.892 0.000 2.417 73 V HA 0.119 4.262 4.120 0.038 0.000 0.291 73 V C -0.596 174.910 176.094 -0.980 0.000 1.024 73 V CA -1.065 60.830 62.300 -0.673 0.000 0.861 73 V CB 1.381 32.966 31.823 -0.397 0.000 0.985 73 V HN 0.778 nan 8.190 nan 0.000 0.436 74 D N 3.641 123.778 120.400 -0.439 0.000 2.382 74 D HA 0.066 4.729 4.640 0.038 0.000 0.259 74 D C 1.142 177.420 176.300 -0.036 0.000 1.224 74 D CA 0.447 54.389 54.000 -0.097 0.000 0.894 74 D CB 1.317 42.215 40.800 0.165 0.000 1.127 74 D HN 0.758 nan 8.370 nan 0.000 0.487 75 T N 1.303 115.858 114.554 0.002 0.000 3.134 75 T HA 0.065 4.438 4.350 0.038 0.000 0.260 75 T C 1.676 176.395 174.700 0.031 0.000 1.027 75 T CA -0.460 61.647 62.100 0.011 0.000 0.913 75 T CB -0.121 68.739 68.868 -0.014 0.000 1.046 75 T HN 0.260 nan 8.240 nan 0.000 0.553 76 L N 0.518 121.777 121.223 0.061 0.000 2.012 76 L HA 0.148 4.511 4.340 0.038 0.000 0.210 76 L C -0.046 176.585 176.870 -0.397 0.000 1.073 76 L CA 1.577 56.311 54.840 -0.176 0.000 0.748 76 L CB -0.199 41.726 42.059 -0.222 0.000 0.891 76 L HN 0.424 nan 8.230 nan 0.000 0.431 77 Y N -0.815 119.561 120.300 0.127 0.000 2.748 77 Y HA 0.383 4.956 4.550 0.039 0.000 0.359 77 Y C -2.188 173.773 175.900 0.101 0.000 1.030 77 Y CA -3.459 54.682 58.100 0.069 0.000 1.169 77 Y CB -0.185 38.281 38.460 0.010 0.000 1.127 77 Y HN 0.016 nan 8.280 nan 0.000 0.644 78 P HA 0.046 nan 4.420 nan 0.000 0.260 78 P C 1.062 178.428 177.300 0.110 0.000 1.172 78 P CA 1.741 64.902 63.100 0.102 0.000 0.760 78 P CB 0.637 32.369 31.700 0.053 0.000 0.773 79 G N 2.502 111.352 108.800 0.083 0.000 2.179 79 G HA2 -0.298 3.685 3.960 0.038 0.000 0.260 79 G HA3 -0.298 3.685 3.960 0.038 0.000 0.260 79 G C -0.010 174.944 174.900 0.089 0.000 0.977 79 G CA -0.378 44.755 45.100 0.055 0.000 0.641 79 G HN 0.539 nan 8.290 nan 0.000 0.533 80 F N 2.195 122.114 119.950 -0.051 0.000 2.445 80 F HA 0.598 5.148 4.527 0.038 0.000 0.359 80 F C 1.387 177.101 175.800 -0.143 0.000 1.101 80 F CA -0.735 57.183 58.000 -0.136 0.000 1.177 80 F CB 1.292 40.184 39.000 -0.181 0.000 1.110 80 F HN 0.171 nan 8.300 nan 0.000 0.522 81 E N 4.302 124.142 120.200 -0.601 0.000 2.065 81 E HA -0.185 4.188 4.350 0.038 0.000 0.201 81 E C 2.244 178.358 176.600 -0.811 0.000 1.016 81 E CA 2.305 58.327 56.400 -0.630 0.000 0.818 81 E CB -0.749 28.625 29.700 -0.543 0.000 0.749 81 E HN 0.884 nan 8.360 nan 0.000 0.453 82 G N -1.306 106.473 108.800 -1.702 0.000 2.485 82 G HA2 -0.314 3.669 3.960 0.038 0.000 0.221 82 G HA3 -0.314 3.669 3.960 0.038 0.000 0.221 82 G C 1.632 176.622 174.900 0.150 0.000 1.115 82 G CA 1.903 46.417 45.100 -0.977 0.000 0.751 82 G HN 0.518 nan 8.290 nan 0.000 0.567 83 T N -2.044 112.539 114.554 0.049 0.000 3.021 83 T HA 0.141 4.514 4.350 0.038 0.000 0.245 83 T C 1.909 176.776 174.700 0.278 0.000 1.028 83 T CA 0.699 63.114 62.100 0.524 0.000 1.139 83 T CB 0.027 69.254 68.868 0.598 0.000 0.884 83 T HN 0.139 nan 8.240 nan 0.000 0.457 84 E N 2.256 122.479 120.200 0.037 0.000 2.204 84 E HA -0.084 4.289 4.350 0.038 0.000 0.195 84 E C 2.223 178.746 176.600 -0.129 0.000 0.990 84 E CA 1.280 57.658 56.400 -0.036 0.000 0.821 84 E CB -0.473 29.172 29.700 -0.092 0.000 0.750 84 E HN 0.789 nan 8.360 nan 0.000 0.477 85 M N -2.390 117.057 119.600 -0.255 0.000 2.460 85 M HA -0.042 4.461 4.480 0.038 0.000 0.263 85 M C 1.284 177.231 176.300 -0.588 0.000 1.071 85 M CA 1.324 56.332 55.300 -0.487 0.000 1.096 85 M CB -0.473 31.730 32.600 -0.662 0.000 1.408 85 M HN -0.018 nan 8.290 nan 0.000 0.463 86 W N 1.043 122.278 121.300 -0.108 0.000 3.114 86 W HA 0.273 4.955 4.660 0.038 0.000 0.279 86 W C 0.394 176.811 176.519 -0.170 0.000 1.277 86 W CA -0.883 56.372 57.345 -0.151 0.000 1.630 86 W CB -0.181 29.224 29.460 -0.091 0.000 1.087 86 W HN 0.107 nan 8.180 nan 0.000 0.637 87 N N 1.584 120.296 118.700 0.020 0.000 2.444 87 N HA 0.131 4.894 4.740 0.038 0.000 0.255 87 N C -2.414 173.017 175.510 -0.132 0.000 1.255 87 N CA -1.430 51.587 53.050 -0.055 0.000 0.933 87 N CB -0.263 38.188 38.487 -0.061 0.000 1.143 87 N HN -0.332 nan 8.380 nan 0.000 0.453 88 P HA 0.056 nan 4.420 nan 0.000 0.265 88 P C 0.237 177.435 177.300 -0.170 0.000 1.193 88 P CA 0.079 63.068 63.100 -0.185 0.000 0.765 88 P CB 0.314 31.898 31.700 -0.194 0.000 0.823 89 N N 2.101 120.692 118.700 -0.183 0.000 2.200 89 N HA 0.080 4.843 4.740 0.038 0.000 0.224 89 N C 0.148 175.580 175.510 -0.129 0.000 1.179 89 N CA -0.039 52.916 53.050 -0.158 0.000 0.877 89 N CB 0.473 38.850 38.487 -0.182 0.000 1.072 89 N HN 0.148 nan 8.380 nan 0.000 0.519 90 R N 0.088 120.508 120.500 -0.133 0.000 2.922 90 R HA 0.363 4.726 4.340 0.038 0.000 0.256 90 R C -0.184 176.052 176.300 -0.106 0.000 1.138 90 R CA -0.657 55.383 56.100 -0.099 0.000 0.995 90 R CB 0.464 30.716 30.300 -0.081 0.000 1.226 90 R HN 0.076 nan 8.270 nan 0.000 0.481 91 E N 1.621 121.769 120.200 -0.087 0.000 2.413 91 E HA 0.070 4.443 4.350 0.038 0.000 0.263 91 E C 0.058 176.600 176.600 -0.098 0.000 1.015 91 E CA 0.143 56.493 56.400 -0.083 0.000 0.916 91 E CB 0.400 30.065 29.700 -0.059 0.000 0.947 91 E HN 0.265 nan 8.360 nan 0.000 0.440 92 L N 1.629 122.779 121.223 -0.122 0.000 2.417 92 L HA 0.256 4.619 4.340 0.038 0.000 0.268 92 L C 0.744 177.624 176.870 0.016 0.000 1.158 92 L CA 0.081 54.824 54.840 -0.161 0.000 0.819 92 L CB 0.688 42.473 42.059 -0.458 0.000 1.112 92 L HN 0.402 nan 8.230 nan 0.000 0.458 93 S N 0.193 115.938 115.700 0.075 0.000 2.606 93 S HA 0.118 4.611 4.470 0.038 0.000 0.290 93 S C 0.097 174.694 174.600 -0.005 0.000 1.103 93 S CA -0.678 57.570 58.200 0.080 0.000 0.870 93 S CB 1.292 64.500 63.200 0.014 0.000 1.077 93 S HN 0.758 nan 8.310 nan 0.000 0.448 94 E N 1.146 121.275 120.200 -0.119 0.000 2.338 94 E HA -0.081 4.293 4.350 0.038 0.000 0.197 94 E C -0.190 176.341 176.600 -0.114 0.000 1.007 94 E CA 0.603 56.866 56.400 -0.227 0.000 0.849 94 E CB 0.102 29.609 29.700 -0.322 0.000 0.774 94 E HN 0.530 nan 8.360 nan 0.000 0.506 95 D N 0.276 120.647 120.400 -0.049 0.000 2.453 95 D HA 0.005 4.668 4.640 0.038 0.000 0.223 95 D C -0.053 176.327 176.300 0.133 0.000 1.183 95 D CA -0.376 53.631 54.000 0.012 0.000 0.933 95 D CB 0.056 40.873 40.800 0.028 0.000 1.038 95 D HN 0.126 nan 8.370 nan 0.000 0.513 96 c N 2.553 121.218 118.600 0.108 0.000 3.722 96 c HA 0.369 4.962 4.570 0.038 0.000 0.279 96 c C 0.529 174.725 174.090 0.175 0.000 1.819 96 c CA -0.700 55.757 56.329 0.214 0.000 1.744 96 c CB -1.271 41.289 42.510 0.083 0.000 3.247 96 c HN 0.455 nan 8.230 nan 0.000 0.549 97 L N 2.583 123.646 121.223 -0.267 0.000 2.387 97 L HA 0.423 4.787 4.340 0.038 0.000 0.267 97 L C -1.023 175.197 176.870 -1.084 0.000 1.197 97 L CA 0.479 54.904 54.840 -0.692 0.000 1.070 97 L CB -0.566 40.947 42.059 -0.911 0.000 1.349 97 L HN 0.428 nan 8.230 nan 0.000 0.422 98 Y N 1.777 122.028 120.300 -0.082 0.000 2.553 98 Y HA 0.593 5.166 4.550 0.038 0.000 0.347 98 Y C -0.145 175.973 175.900 0.362 0.000 1.019 98 Y CA -1.331 56.828 58.100 0.099 0.000 1.032 98 Y CB 1.949 40.411 38.460 0.003 0.000 1.284 98 Y HN 0.187 nan 8.280 nan 0.000 0.466 99 L N -0.060 121.373 121.223 0.350 0.000 2.301 99 L HA 0.770 5.133 4.340 0.038 0.000 0.264 99 L C -1.072 175.803 176.870 0.007 0.000 1.016 99 L CA -1.155 53.748 54.840 0.104 0.000 0.821 99 L CB 1.444 43.368 42.059 -0.224 0.000 1.346 99 L HN 0.485 nan 8.230 nan 0.000 0.429 100 N N 0.066 118.768 118.700 0.004 0.000 2.272 100 N HA 0.734 5.497 4.740 0.038 0.000 0.305 100 N C -1.493 173.892 175.510 -0.207 0.000 1.103 100 N CA -0.460 52.490 53.050 -0.166 0.000 0.791 100 N CB 2.859 41.244 38.487 -0.169 0.000 1.356 100 N HN 0.483 nan 8.380 nan 0.000 0.486 101 V N 1.254 120.969 119.914 -0.333 0.000 2.577 101 V HA 0.458 4.601 4.120 0.038 0.000 0.303 101 V C -0.857 175.155 176.094 -0.136 0.000 1.042 101 V CA -0.800 61.422 62.300 -0.131 0.000 0.872 101 V CB 2.268 33.929 31.823 -0.270 0.000 0.998 101 V HN 0.556 nan 8.190 nan 0.000 0.423 102 W N 2.722 124.122 121.300 0.166 0.000 2.606 102 W HA 0.706 5.389 4.660 0.039 0.000 0.332 102 W C 0.126 176.757 176.519 0.186 0.000 1.052 102 W CA -0.465 56.978 57.345 0.162 0.000 1.223 102 W CB 2.442 31.974 29.460 0.119 0.000 1.383 102 W HN 0.649 nan 8.180 nan 0.000 0.524 103 T N -0.313 114.492 114.554 0.418 0.000 2.896 103 T HA 0.483 4.856 4.350 0.038 0.000 0.297 103 T C -2.882 171.983 174.700 0.274 0.000 1.108 103 T CA -2.500 59.800 62.100 0.333 0.000 1.004 103 T CB 2.148 71.236 68.868 0.367 0.000 1.159 103 T HN -0.086 nan 8.240 nan 0.000 0.499 104 P HA 0.128 nan 4.420 nan 0.000 0.265 104 P C -1.486 175.944 177.300 0.217 0.000 1.187 104 P CA -0.010 63.203 63.100 0.187 0.000 0.766 104 P CB -0.019 31.764 31.700 0.139 0.000 0.820 105 Y N 5.233 125.586 120.300 0.088 0.000 2.334 105 Y HA 0.414 4.987 4.550 0.038 0.000 0.336 105 Y C -2.047 173.886 175.900 0.055 0.000 0.960 105 Y CA -2.571 55.573 58.100 0.073 0.000 1.164 105 Y CB 1.134 39.624 38.460 0.050 0.000 1.155 105 Y HN 0.352 nan 8.280 nan 0.000 0.478 106 P HA 0.199 nan 4.420 nan 0.000 0.279 106 P C -1.289 175.982 177.300 -0.047 0.000 1.252 106 P CA -0.690 62.286 63.100 -0.207 0.000 0.811 106 P CB 1.052 32.664 31.700 -0.146 0.000 1.035 107 R N 1.263 121.728 120.500 -0.058 0.000 2.449 107 R HA 0.235 4.598 4.340 0.038 0.000 0.296 107 R C -2.052 174.270 176.300 0.038 0.000 1.047 107 R CA -1.210 54.914 56.100 0.040 0.000 1.018 107 R CB -1.282 29.059 30.300 0.068 0.000 0.962 107 R HN 0.295 nan 8.270 nan 0.000 0.428 108 P HA -0.246 nan 4.420 nan 0.000 0.269 108 P C 0.042 177.361 177.300 0.032 0.000 1.153 108 P CA 1.150 64.282 63.100 0.054 0.000 0.754 108 P CB 0.421 32.163 31.700 0.070 0.000 0.758 109 A N 2.781 125.616 122.820 0.025 0.000 1.872 109 A HA 0.007 4.350 4.320 0.038 0.000 0.214 109 A C 0.945 178.536 177.584 0.012 0.000 1.187 109 A CA 1.819 53.865 52.037 0.014 0.000 0.614 109 A CB -0.621 18.387 19.000 0.013 0.000 0.826 109 A HN 0.645 nan 8.150 nan 0.000 0.442 110 S N -1.098 114.612 115.700 0.016 0.000 2.648 110 S HA 0.628 5.121 4.470 0.038 0.000 0.305 110 S C -3.146 171.466 174.600 0.019 0.000 1.094 110 S CA -1.935 56.272 58.200 0.012 0.000 0.983 110 S CB 1.028 64.232 63.200 0.007 0.000 1.101 110 S HN 0.025 nan 8.310 nan 0.000 0.514 111 P HA 0.171 nan 4.420 nan 0.000 0.261 111 P C -0.647 176.667 177.300 0.023 0.000 1.183 111 P CA 0.398 63.510 63.100 0.021 0.000 0.761 111 P CB -0.014 31.690 31.700 0.006 0.000 0.785 112 T N 5.441 120.020 114.554 0.042 0.000 2.855 112 T HA 0.431 4.804 4.350 0.038 0.000 0.281 112 T C -2.419 172.306 174.700 0.042 0.000 1.007 112 T CA -1.870 60.255 62.100 0.043 0.000 1.009 112 T CB 0.947 69.857 68.868 0.069 0.000 0.983 112 T HN 0.138 nan 8.240 nan 0.000 0.455 113 P HA 0.171 nan 4.420 nan 0.000 0.266 113 P C -0.985 176.351 177.300 0.059 0.000 1.195 113 P CA -0.244 62.867 63.100 0.020 0.000 0.768 113 P CB 0.416 32.111 31.700 -0.008 0.000 0.838 114 V N 4.654 124.618 119.914 0.083 0.000 2.459 114 V HA 0.322 4.465 4.120 0.038 0.000 0.295 114 V C 0.134 176.312 176.094 0.140 0.000 1.029 114 V CA -0.488 61.888 62.300 0.127 0.000 0.874 114 V CB 1.320 33.233 31.823 0.150 0.000 0.985 114 V HN 0.312 nan 8.190 nan 0.000 0.438 115 L N 5.892 127.212 121.223 0.161 0.000 2.307 115 L HA 0.588 4.951 4.340 0.038 0.000 0.284 115 L C -0.383 176.734 176.870 0.413 0.000 1.023 115 L CA 0.008 54.969 54.840 0.201 0.000 0.810 115 L CB 1.549 43.592 42.059 -0.027 0.000 1.231 115 L HN 0.456 nan 8.230 nan 0.000 0.423 116 I N 2.539 123.391 120.570 0.471 0.000 2.362 116 I HA 0.227 4.420 4.170 0.038 0.000 0.289 116 I C -0.765 175.658 176.117 0.510 0.000 0.994 116 I CA -0.482 61.071 61.300 0.421 0.000 1.158 116 I CB 1.295 39.415 38.000 0.200 0.000 1.315 116 I HN 0.655 nan 8.210 nan 0.000 0.451 117 W N 8.389 129.806 121.300 0.196 0.000 2.376 117 W HA 0.617 5.300 4.660 0.038 0.000 0.322 117 W C -1.551 174.872 176.519 -0.159 0.000 1.160 117 W CA -0.631 56.600 57.345 -0.190 0.000 1.218 117 W CB 1.377 30.743 29.460 -0.157 0.000 1.205 117 W HN 0.349 nan 8.180 nan 0.000 0.559 118 I N 8.642 128.499 120.570 -1.187 0.000 2.493 118 I HA 0.048 4.242 4.170 0.038 0.000 0.279 118 I C -0.397 174.918 176.117 -1.337 0.000 1.045 118 I CA -1.020 59.687 61.300 -0.989 0.000 1.106 118 I CB 0.779 38.394 38.000 -0.642 0.000 1.216 118 I HN 0.308 nan 8.210 nan 0.000 0.459 119 Y N 4.384 124.183 120.300 -0.835 0.000 2.385 119 Y HA 0.663 5.235 4.550 0.038 0.000 0.346 119 Y C 0.830 176.513 175.900 -0.361 0.000 1.270 119 Y CA -0.601 57.110 58.100 -0.648 0.000 1.472 119 Y CB -0.113 38.210 38.460 -0.228 0.000 1.354 119 Y HN 0.478 nan 8.280 nan 0.000 0.611 120 G N -1.246 107.537 108.800 -0.029 0.000 2.702 120 G HA2 0.494 4.477 3.960 0.038 0.000 0.254 120 G HA3 0.494 4.477 3.960 0.038 0.000 0.254 120 G C 0.321 175.114 174.900 -0.179 0.000 1.380 120 G CA -0.936 44.053 45.100 -0.186 0.000 1.042 120 G HN 1.702 nan 8.290 nan 0.000 0.557 121 G N -2.939 105.572 108.800 -0.483 0.000 2.240 121 G HA2 0.396 4.379 3.960 0.038 0.000 0.181 121 G HA3 0.396 4.379 3.960 0.038 0.000 0.181 121 G C 1.110 175.387 174.900 -1.039 0.000 1.028 121 G CA 0.788 45.491 45.100 -0.662 0.000 0.760 121 G HN 2.352 nan 8.290 nan 0.000 0.508 122 G N -0.458 107.836 108.800 -0.843 0.000 2.166 122 G HA2 -0.125 3.858 3.960 0.038 0.000 0.260 122 G HA3 -0.125 3.858 3.960 0.038 0.000 0.260 122 G C 0.895 175.634 174.900 -0.267 0.000 0.986 122 G CA 0.815 45.549 45.100 -0.611 0.000 0.683 122 G HN 1.760 nan 8.290 nan 0.000 0.527 123 F N -3.362 116.461 119.950 -0.211 0.000 2.794 123 F HA -0.300 4.250 4.527 0.039 0.000 0.335 123 F C 1.407 177.198 175.800 -0.015 0.000 0.653 123 F CA 1.970 59.964 58.000 -0.011 0.000 1.266 123 F CB -2.170 36.768 39.000 -0.104 0.000 1.666 123 F HN 0.869 nan 8.300 nan 0.000 0.314 124 Y N -1.143 119.028 120.300 -0.215 0.000 2.500 124 Y HA 0.682 5.255 4.550 0.038 0.000 0.246 124 Y C 0.589 176.431 175.900 -0.098 0.000 1.146 124 Y CA 0.086 57.972 58.100 -0.356 0.000 1.230 124 Y CB -0.021 37.833 38.460 -1.010 0.000 1.214 124 Y HN 0.122 nan 8.280 nan 0.000 0.526 125 S N -0.991 114.516 115.700 -0.322 0.000 2.636 125 S HA 0.850 5.343 4.470 0.038 0.000 0.268 125 S C -0.277 174.148 174.600 -0.291 0.000 1.159 125 S CA -0.455 57.602 58.200 -0.238 0.000 0.815 125 S CB 1.447 64.498 63.200 -0.248 0.000 1.130 125 S HN 1.381 nan 8.310 nan 0.000 0.471 126 G N -0.595 107.990 108.800 -0.358 0.000 2.392 126 G HA2 0.585 4.568 3.960 0.038 0.000 0.677 126 G HA3 0.585 4.568 3.960 0.038 0.000 0.677 126 G C -0.678 173.529 174.900 -1.154 0.000 1.334 126 G CA -0.240 44.458 45.100 -0.671 0.000 0.961 126 G HN 2.390 nan 8.290 nan 0.000 0.616 127 A N -1.363 120.530 122.820 -1.545 0.000 2.583 127 A HA 0.948 5.291 4.320 0.038 0.000 0.298 127 A C 0.398 177.796 177.584 -0.311 0.000 1.055 127 A CA 0.724 52.250 52.037 -0.852 0.000 0.714 127 A CB 0.693 19.446 19.000 -0.412 0.000 1.277 127 A HN 2.601 nan 8.150 nan 0.000 0.406 128 A N 0.553 123.427 122.820 0.089 0.000 2.251 128 A HA 0.351 4.694 4.320 0.038 0.000 0.209 128 A C 1.516 179.146 177.584 0.077 0.000 1.187 128 A CA 1.562 53.831 52.037 0.386 0.000 0.823 128 A CB -0.518 18.768 19.000 0.477 0.000 0.846 128 A HN 1.848 nan 8.150 nan 0.000 0.486 129 S N -0.609 114.883 115.700 -0.346 0.000 2.540 129 S HA 0.348 4.841 4.470 0.038 0.000 0.218 129 S C 0.412 174.616 174.600 -0.661 0.000 0.977 129 S CA -0.485 57.065 58.200 -1.082 0.000 0.918 129 S CB -0.561 61.860 63.200 -1.299 0.000 0.806 129 S HN 0.359 nan 8.310 nan 0.000 0.496 130 L N 2.474 123.435 121.223 -0.437 0.000 2.514 130 L HA 0.119 4.482 4.340 0.038 0.000 0.280 130 L C 1.119 177.667 176.870 -0.536 0.000 1.223 130 L CA -0.422 54.092 54.840 -0.543 0.000 0.864 130 L CB 0.194 41.781 42.059 -0.786 0.000 1.118 130 L HN 0.087 nan 8.230 nan 0.000 0.494 131 D N 1.352 121.485 120.400 -0.445 0.000 2.158 131 D HA -0.147 4.516 4.640 0.038 0.000 0.197 131 D C 1.974 178.010 176.300 -0.440 0.000 0.995 131 D CA 1.410 55.212 54.000 -0.330 0.000 0.846 131 D CB -0.064 40.578 40.800 -0.263 0.000 0.941 131 D HN 0.552 nan 8.370 nan 0.000 0.456 132 V N -1.493 118.003 119.914 -0.696 0.000 3.305 132 V HA -0.132 4.011 4.120 0.038 0.000 0.269 132 V C 1.046 176.553 176.094 -0.979 0.000 1.157 132 V CA 0.967 62.827 62.300 -0.734 0.000 1.157 132 V CB -1.109 30.255 31.823 -0.765 0.000 0.772 132 V HN 0.053 nan 8.190 nan 0.000 0.498 133 Y N -0.136 119.598 120.300 -0.945 0.000 2.507 133 Y HA 0.439 5.012 4.550 0.038 0.000 0.254 133 Y C 0.916 176.225 175.900 -0.985 0.000 1.171 133 Y CA -1.933 55.221 58.100 -1.577 0.000 1.238 133 Y CB -0.635 37.300 38.460 -0.875 0.000 1.148 133 Y HN 0.240 nan 8.280 nan 0.000 0.525 134 D N 1.077 121.201 120.400 -0.460 0.000 2.451 134 D HA -0.009 4.654 4.640 0.038 0.000 0.254 134 D C 1.400 177.366 176.300 -0.556 0.000 1.204 134 D CA 0.690 54.473 54.000 -0.361 0.000 0.896 134 D CB 1.264 41.988 40.800 -0.126 0.000 1.136 134 D HN 0.471 nan 8.370 nan 0.000 0.499 135 G N 4.292 112.097 108.800 -1.658 0.000 2.920 135 G HA2 -0.163 3.820 3.960 0.038 0.000 0.208 135 G HA3 -0.163 3.820 3.960 0.038 0.000 0.208 135 G C 1.526 175.859 174.900 -0.944 0.000 1.159 135 G CA 0.157 44.495 45.100 -1.271 0.000 0.784 135 G HN 0.605 nan 8.290 nan 0.000 0.535 136 R N -0.184 119.703 120.500 -1.022 0.000 2.081 136 R HA -0.057 4.307 4.340 0.038 0.000 0.235 136 R C 1.730 177.758 176.300 -0.453 0.000 1.131 136 R CA 1.239 56.971 56.100 -0.614 0.000 0.960 136 R CB -0.831 29.120 30.300 -0.582 0.000 0.856 136 R HN 0.308 nan 8.270 nan 0.000 0.436 137 F N 1.717 121.585 119.950 -0.136 0.000 2.102 137 F HA -0.032 4.519 4.527 0.039 0.000 0.298 137 F C 2.480 178.229 175.800 -0.084 0.000 1.105 137 F CA 0.940 58.885 58.000 -0.092 0.000 1.239 137 F CB -0.697 38.243 39.000 -0.101 0.000 0.991 137 F HN -0.115 nan 8.300 nan 0.000 0.474 138 L N -0.198 121.059 121.223 0.057 0.000 2.046 138 L HA -0.198 4.165 4.340 0.038 0.000 0.208 138 L C 2.736 179.618 176.870 0.021 0.000 1.077 138 L CA 1.197 56.033 54.840 -0.006 0.000 0.747 138 L CB -0.946 41.060 42.059 -0.089 0.000 0.896 138 L HN 0.181 nan 8.230 nan 0.000 0.432 139 A N -1.029 121.808 122.820 0.028 0.000 1.877 139 A HA -0.252 4.091 4.320 0.038 0.000 0.216 139 A C 2.283 179.914 177.584 0.078 0.000 1.186 139 A CA 1.652 53.744 52.037 0.090 0.000 0.620 139 A CB -0.510 18.591 19.000 0.168 0.000 0.822 139 A HN 0.409 nan 8.150 nan 0.000 0.443 140 Q N -0.195 119.634 119.800 0.049 0.000 2.020 140 Q HA -0.080 4.283 4.340 0.038 0.000 0.198 140 Q C 2.200 178.234 176.000 0.057 0.000 0.974 140 Q CA 2.047 57.882 55.803 0.054 0.000 0.829 140 Q CB -0.272 28.482 28.738 0.028 0.000 0.894 140 Q HN 0.422 nan 8.270 nan 0.000 0.433 141 V N 1.198 121.147 119.914 0.057 0.000 2.488 141 V HA -0.105 4.038 4.120 0.038 0.000 0.246 141 V C 1.690 177.803 176.094 0.031 0.000 1.046 141 V CA 1.466 63.794 62.300 0.046 0.000 1.053 141 V CB -0.150 31.701 31.823 0.046 0.000 0.679 141 V HN 0.235 nan 8.190 nan 0.000 0.458 142 E N -0.293 119.925 120.200 0.030 0.000 2.489 142 E HA 0.209 4.582 4.350 0.038 0.000 0.204 142 E C 1.721 178.341 176.600 0.034 0.000 1.006 142 E CA 0.713 57.126 56.400 0.022 0.000 0.936 142 E CB 0.650 30.354 29.700 0.007 0.000 1.002 142 E HN 0.567 nan 8.360 nan 0.000 0.488 143 G N 1.884 110.715 108.800 0.050 0.000 2.179 143 G HA2 -0.317 3.666 3.960 0.038 0.000 0.257 143 G HA3 -0.317 3.666 3.960 0.038 0.000 0.257 143 G C 0.500 175.444 174.900 0.074 0.000 1.010 143 G CA 0.461 45.601 45.100 0.065 0.000 0.736 143 G HN 0.466 nan 8.290 nan 0.000 0.513 144 A N -0.843 122.020 122.820 0.071 0.000 2.322 144 A HA 0.717 5.060 4.320 0.038 0.000 0.269 144 A C 0.506 178.170 177.584 0.134 0.000 1.094 144 A CA -0.001 52.084 52.037 0.080 0.000 0.807 144 A CB 1.256 20.286 19.000 0.049 0.000 1.047 144 A HN 1.085 nan 8.150 nan 0.000 0.487 145 V N 2.822 122.825 119.914 0.149 0.000 2.385 145 V HA 0.294 4.437 4.120 0.038 0.000 0.269 145 V C -0.162 176.071 176.094 0.232 0.000 1.043 145 V CA -0.046 62.375 62.300 0.203 0.000 0.906 145 V CB 0.716 32.651 31.823 0.186 0.000 0.995 145 V HN 0.711 nan 8.190 nan 0.000 0.467 146 L N 6.728 128.148 121.223 0.328 0.000 2.307 146 L HA 0.704 5.067 4.340 0.038 0.000 0.284 146 L C -0.557 176.621 176.870 0.514 0.000 1.023 146 L CA 0.002 55.092 54.840 0.417 0.000 0.810 146 L CB 1.761 44.069 42.059 0.416 0.000 1.231 146 L HN 0.432 nan 8.230 nan 0.000 0.423 147 V N 3.282 123.467 119.914 0.453 0.000 2.604 147 V HA 0.750 4.893 4.120 0.038 0.000 0.305 147 V C -0.467 175.897 176.094 0.449 0.000 1.043 147 V CA -0.433 62.087 62.300 0.368 0.000 0.888 147 V CB 1.977 33.937 31.823 0.228 0.000 0.995 147 V HN 0.868 nan 8.190 nan 0.000 0.429 148 S N 4.936 120.889 115.700 0.420 0.000 2.549 148 S HA 0.886 5.379 4.470 0.038 0.000 0.280 148 S C -0.846 173.911 174.600 0.261 0.000 1.109 148 S CA -0.840 57.612 58.200 0.420 0.000 0.905 148 S CB 2.304 65.890 63.200 0.643 0.000 1.081 148 S HN 0.863 nan 8.310 nan 0.000 0.477 149 M N 1.283 121.000 119.600 0.195 0.000 2.530 149 M HA 0.638 5.141 4.480 0.038 0.000 0.307 149 M C -1.697 174.815 176.300 0.354 0.000 1.161 149 M CA -0.580 54.831 55.300 0.185 0.000 0.903 149 M CB 1.169 33.706 32.600 -0.105 0.000 1.711 149 M HN 0.545 nan 8.290 nan 0.000 0.451 150 N N 2.794 121.768 118.700 0.457 0.000 2.529 150 N HA 0.536 5.299 4.740 0.038 0.000 0.278 150 N C -1.356 174.429 175.510 0.457 0.000 1.146 150 N CA 0.158 53.483 53.050 0.458 0.000 0.980 150 N CB 0.457 39.149 38.487 0.341 0.000 1.124 150 N HN 0.726 nan 8.380 nan 0.000 0.458 151 Y N -1.892 118.585 120.300 0.296 0.000 2.524 151 Y HA 0.559 5.132 4.550 0.038 0.000 0.347 151 Y C -0.080 175.962 175.900 0.237 0.000 1.005 151 Y CA -1.350 56.881 58.100 0.219 0.000 1.025 151 Y CB 0.923 39.450 38.460 0.112 0.000 1.275 151 Y HN 0.210 nan 8.280 nan 0.000 0.460 152 R N 2.061 122.714 120.500 0.256 0.000 2.570 152 R HA 0.424 4.787 4.340 0.038 0.000 0.277 152 R C -0.096 176.388 176.300 0.307 0.000 1.039 152 R CA 0.012 56.228 56.100 0.194 0.000 1.065 152 R CB 0.620 31.005 30.300 0.142 0.000 0.964 152 R HN 0.721 nan 8.270 nan 0.000 0.428 153 V N -0.073 120.061 119.914 0.366 0.000 3.204 153 V HA 0.887 5.030 4.120 0.038 0.000 0.316 153 V C 0.806 177.292 176.094 0.653 0.000 1.160 153 V CA -0.137 62.512 62.300 0.582 0.000 1.044 153 V CB 1.073 33.112 31.823 0.360 0.000 1.136 153 V HN 0.969 nan 8.190 nan 0.000 0.455 154 G N 1.310 110.558 108.800 0.748 0.000 2.575 154 G HA2 -0.283 3.700 3.960 0.038 0.000 0.267 154 G HA3 -0.283 3.700 3.960 0.038 0.000 0.267 154 G C 0.989 176.226 174.900 0.561 0.000 1.264 154 G CA 1.458 47.024 45.100 0.777 0.000 0.935 154 G HN 2.366 nan 8.290 nan 0.000 0.568 155 T N -1.882 112.713 114.554 0.068 0.000 2.759 155 T HA -0.113 4.260 4.350 0.038 0.000 0.269 155 T C 2.125 176.771 174.700 -0.090 0.000 1.042 155 T CA 2.613 64.468 62.100 -0.408 0.000 1.140 155 T CB -0.412 68.044 68.868 -0.686 0.000 0.864 155 T HN 0.625 nan 8.240 nan 0.000 0.455 156 F N 2.155 122.245 119.950 0.234 0.000 2.269 156 F HA 0.222 4.772 4.527 0.038 0.000 0.301 156 F C 2.681 178.534 175.800 0.089 0.000 1.082 156 F CA 0.754 58.837 58.000 0.139 0.000 1.360 156 F CB -0.872 38.163 39.000 0.057 0.000 1.041 156 F HN 0.393 nan 8.300 nan 0.000 0.512 157 G N -2.209 106.709 108.800 0.196 0.000 2.709 157 G HA2 0.055 4.038 3.960 0.038 0.000 0.208 157 G HA3 0.055 4.038 3.960 0.038 0.000 0.208 157 G C 0.853 175.314 174.900 -0.731 0.000 1.129 157 G CA 0.175 45.111 45.100 -0.274 0.000 0.793 157 G HN 0.339 nan 8.290 nan 0.000 0.524 158 F N -0.574 119.509 119.950 0.222 0.000 2.915 158 F HA 0.429 4.980 4.527 0.039 0.000 0.347 158 F C 0.376 176.260 175.800 0.139 0.000 1.104 158 F CA -0.945 57.155 58.000 0.167 0.000 1.126 158 F CB 0.416 39.547 39.000 0.219 0.000 1.145 158 F HN -0.085 nan 8.300 nan 0.000 0.541 159 L N 2.220 123.494 121.223 0.086 0.000 2.477 159 L HA 0.568 4.931 4.340 0.038 0.000 0.272 159 L C -0.012 176.807 176.870 -0.086 0.000 1.157 159 L CA 0.032 54.792 54.840 -0.134 0.000 0.889 159 L CB 0.300 41.995 42.059 -0.606 0.000 1.158 159 L HN 0.122 nan 8.230 nan 0.000 0.473 160 A N 6.444 129.263 122.820 -0.002 0.000 2.386 160 A HA 0.672 5.015 4.320 0.038 0.000 0.311 160 A C -1.039 176.516 177.584 -0.048 0.000 1.068 160 A CA -0.641 51.381 52.037 -0.025 0.000 0.743 160 A CB 1.290 20.306 19.000 0.028 0.000 1.258 160 A HN 0.709 nan 8.150 nan 0.000 0.429 161 L N 3.185 124.369 121.223 -0.065 0.000 2.335 161 L HA 0.318 4.681 4.340 0.038 0.000 0.268 161 L C -2.458 174.398 176.870 -0.024 0.000 1.037 161 L CA -1.860 52.950 54.840 -0.049 0.000 0.895 161 L CB 1.467 43.486 42.059 -0.066 0.000 1.266 161 L HN 0.413 nan 8.230 nan 0.000 0.439 162 P HA 0.099 nan 4.420 nan 0.000 0.267 162 P C 0.918 178.218 177.300 -0.001 0.000 1.205 162 P CA 0.656 63.755 63.100 -0.002 0.000 0.765 162 P CB 1.078 32.777 31.700 -0.002 0.000 0.828 163 G N 1.902 110.706 108.800 0.007 0.000 2.258 163 G HA2 -0.249 3.734 3.960 0.038 0.000 0.233 163 G HA3 -0.249 3.734 3.960 0.038 0.000 0.233 163 G C 0.469 175.374 174.900 0.008 0.000 1.006 163 G CA 0.257 45.361 45.100 0.008 0.000 0.620 163 G HN 0.796 nan 8.290 nan 0.000 0.511 164 S N -0.151 115.551 115.700 0.004 0.000 2.600 164 S HA 0.568 5.061 4.470 0.038 0.000 0.265 164 S C 1.159 175.769 174.600 0.016 0.000 1.325 164 S CA 0.524 58.727 58.200 0.005 0.000 1.002 164 S CB 1.805 65.002 63.200 -0.005 0.000 0.921 164 S HN 0.453 nan 8.310 nan 0.000 0.554 165 R N 0.299 120.811 120.500 0.020 0.000 2.223 165 R HA 0.047 4.410 4.340 0.038 0.000 0.198 165 R C 1.247 177.570 176.300 0.039 0.000 0.984 165 R CA 0.871 56.988 56.100 0.029 0.000 1.018 165 R CB 0.013 30.328 30.300 0.026 0.000 0.945 165 R HN 0.926 nan 8.270 nan 0.000 0.479 166 E N -1.132 119.093 120.200 0.042 0.000 2.489 166 E HA 0.105 4.478 4.350 0.038 0.000 0.204 166 E C -0.316 176.339 176.600 0.092 0.000 1.006 166 E CA 0.110 56.550 56.400 0.067 0.000 0.936 166 E CB 1.194 30.936 29.700 0.069 0.000 1.002 166 E HN 0.129 nan 8.360 nan 0.000 0.488 167 A N 2.289 125.138 122.820 0.048 0.000 3.422 167 A HA 0.400 4.743 4.320 0.038 0.000 0.271 167 A C -2.331 175.257 177.584 0.007 0.000 1.104 167 A CA -0.912 51.141 52.037 0.026 0.000 0.899 167 A CB 0.801 19.746 19.000 -0.091 0.000 1.309 167 A HN -0.083 nan 8.150 nan 0.000 0.580 168 P HA 0.161 nan 4.420 nan 0.000 0.229 168 P C 0.953 178.270 177.300 0.029 0.000 1.160 168 P CA 1.857 64.976 63.100 0.032 0.000 0.777 168 P CB 0.163 31.892 31.700 0.048 0.000 0.814 169 G N 0.265 109.080 108.800 0.025 0.000 2.730 169 G HA2 -0.176 3.807 3.960 0.038 0.000 0.686 169 G HA3 -0.176 3.807 3.960 0.038 0.000 0.686 169 G C -0.045 174.855 174.900 -0.001 0.000 1.343 169 G CA -0.305 44.813 45.100 0.030 0.000 0.826 169 G HN 0.121 nan 8.290 nan 0.000 0.582 170 N N -2.402 116.295 118.700 -0.006 0.000 2.778 170 N HA -0.303 4.460 4.740 0.038 0.000 0.249 170 N C 1.957 177.324 175.510 -0.238 0.000 1.069 170 N CA 2.471 55.444 53.050 -0.128 0.000 0.831 170 N CB -1.669 36.654 38.487 -0.273 0.000 1.142 170 N HN 1.944 nan 8.380 nan 0.000 0.573 171 V N -2.253 117.540 119.914 -0.202 0.000 2.594 171 V HA -0.052 4.091 4.120 0.038 0.000 0.253 171 V C 2.331 178.309 176.094 -0.193 0.000 1.069 171 V CA 2.392 64.612 62.300 -0.134 0.000 1.082 171 V CB -1.003 30.792 31.823 -0.045 0.000 0.680 171 V HN 0.287 nan 8.190 nan 0.000 0.469 172 G N 0.461 108.955 108.800 -0.509 0.000 2.432 172 G HA2 -0.150 3.834 3.960 0.038 0.000 0.219 172 G HA3 -0.150 3.834 3.960 0.038 0.000 0.219 172 G C 1.530 176.390 174.900 -0.067 0.000 1.135 172 G CA 1.237 46.133 45.100 -0.340 0.000 0.767 172 G HN 0.561 nan 8.290 nan 0.000 0.550 173 L N -0.269 120.860 121.223 -0.157 0.000 2.131 173 L HA 0.131 4.494 4.340 0.038 0.000 0.206 173 L C 2.781 179.654 176.870 0.005 0.000 1.087 173 L CA 0.225 54.945 54.840 -0.201 0.000 0.767 173 L CB -0.347 41.276 42.059 -0.726 0.000 0.917 173 L HN 0.147 nan 8.230 nan 0.000 0.441 174 L N -0.300 120.929 121.223 0.009 0.000 2.127 174 L HA -0.231 4.132 4.340 0.038 0.000 0.211 174 L C 2.166 179.153 176.870 0.195 0.000 1.089 174 L CA 0.915 55.866 54.840 0.186 0.000 0.757 174 L CB -0.648 41.505 42.059 0.157 0.000 0.899 174 L HN 0.277 nan 8.230 nan 0.000 0.434 175 D N -0.008 120.494 120.400 0.171 0.000 2.092 175 D HA -0.210 4.453 4.640 0.038 0.000 0.193 175 D C 2.311 178.762 176.300 0.252 0.000 0.994 175 D CA 1.308 55.481 54.000 0.288 0.000 0.828 175 D CB -0.235 40.752 40.800 0.312 0.000 0.963 175 D HN 0.412 nan 8.370 nan 0.000 0.450 176 Q N 0.100 119.981 119.800 0.134 0.000 2.084 176 Q HA -0.131 4.232 4.340 0.038 0.000 0.202 176 Q C 2.277 178.262 176.000 -0.024 0.000 0.978 176 Q CA 1.070 56.873 55.803 -0.000 0.000 0.844 176 Q CB -0.111 28.610 28.738 -0.027 0.000 0.898 176 Q HN 0.201 nan 8.270 nan 0.000 0.426 177 R N 0.666 121.255 120.500 0.148 0.000 2.105 177 R HA -0.183 4.180 4.340 0.038 0.000 0.239 177 R C 2.148 178.503 176.300 0.092 0.000 1.135 177 R CA 1.123 57.301 56.100 0.130 0.000 0.967 177 R CB -0.214 30.280 30.300 0.323 0.000 0.861 177 R HN 0.249 nan 8.270 nan 0.000 0.442 178 L N 0.590 121.898 121.223 0.142 0.000 2.141 178 L HA 0.013 4.376 4.340 0.038 0.000 0.209 178 L C 2.213 179.129 176.870 0.077 0.000 1.094 178 L CA 1.953 56.903 54.840 0.182 0.000 0.763 178 L CB -0.503 41.743 42.059 0.312 0.000 0.908 178 L HN 0.243 nan 8.230 nan 0.000 0.437 179 A N -0.522 122.158 122.820 -0.233 0.000 1.930 179 A HA -0.127 4.216 4.320 0.038 0.000 0.217 179 A C 2.194 179.726 177.584 -0.086 0.000 1.175 179 A CA 1.766 53.501 52.037 -0.504 0.000 0.627 179 A CB -0.753 17.710 19.000 -0.895 0.000 0.815 179 A HN 0.498 nan 8.150 nan 0.000 0.443 180 L N -1.086 120.100 121.223 -0.061 0.000 2.056 180 L HA -0.242 4.121 4.340 0.038 0.000 0.207 180 L C 2.819 179.741 176.870 0.088 0.000 1.078 180 L CA 1.603 56.448 54.840 0.008 0.000 0.749 180 L CB -0.854 41.171 42.059 -0.056 0.000 0.901 180 L HN 0.467 nan 8.230 nan 0.000 0.433 181 Q N -0.885 118.975 119.800 0.100 0.000 2.124 181 Q HA -0.262 4.101 4.340 0.038 0.000 0.202 181 Q C 2.054 178.144 176.000 0.150 0.000 0.977 181 Q CA 2.007 57.878 55.803 0.113 0.000 0.850 181 Q CB -0.276 28.534 28.738 0.121 0.000 0.901 181 Q HN 0.552 nan 8.270 nan 0.000 0.429 182 W N 0.305 121.616 121.300 0.019 0.000 2.363 182 W HA -0.195 4.488 4.660 0.038 0.000 0.296 182 W C 1.752 178.298 176.519 0.045 0.000 1.212 182 W CA 1.164 58.538 57.345 0.048 0.000 1.260 182 W CB -0.011 29.478 29.460 0.049 0.000 1.131 182 W HN -0.152 nan 8.180 nan 0.000 0.530 183 V N 0.903 121.008 119.914 0.319 0.000 2.295 183 V HA -0.338 3.805 4.120 0.038 0.000 0.246 183 V C 2.552 178.652 176.094 0.009 0.000 1.049 183 V CA 2.018 64.423 62.300 0.175 0.000 1.024 183 V CB -1.037 30.916 31.823 0.217 0.000 0.648 183 V HN 0.170 nan 8.190 nan 0.000 0.447 184 Q N 0.124 119.941 119.800 0.028 0.000 2.096 184 Q HA -0.243 4.120 4.340 0.038 0.000 0.204 184 Q C 2.163 178.126 176.000 -0.062 0.000 0.982 184 Q CA 1.873 57.679 55.803 0.005 0.000 0.850 184 Q CB -0.347 28.403 28.738 0.020 0.000 0.901 184 Q HN 0.746 nan 8.270 nan 0.000 0.422 185 E N -0.479 119.643 120.200 -0.129 0.000 2.230 185 E HA -0.052 4.321 4.350 0.038 0.000 0.192 185 E C 0.949 177.375 176.600 -0.291 0.000 0.987 185 E CA 0.784 57.072 56.400 -0.187 0.000 0.841 185 E CB 0.119 29.708 29.700 -0.184 0.000 0.783 185 E HN 0.429 nan 8.360 nan 0.000 0.481 186 N N -0.701 117.726 118.700 -0.454 0.000 2.211 186 N HA 0.072 4.835 4.740 0.038 0.000 0.216 186 N C 1.205 176.610 175.510 -0.175 0.000 1.240 186 N CA -0.128 52.622 53.050 -0.500 0.000 0.895 186 N CB 0.450 38.260 38.487 -1.128 0.000 1.102 186 N HN -0.076 nan 8.380 nan 0.000 0.498 187 I N 1.969 122.479 120.570 -0.099 0.000 2.361 187 I HA -0.098 4.095 4.170 0.038 0.000 0.251 187 I C 2.089 178.322 176.117 0.193 0.000 1.133 187 I CA 0.700 62.083 61.300 0.139 0.000 1.413 187 I CB -0.345 37.717 38.000 0.104 0.000 1.073 187 I HN 0.179 nan 8.210 nan 0.000 0.424 188 A N 0.331 123.187 122.820 0.061 0.000 2.032 188 A HA -0.213 4.130 4.320 0.038 0.000 0.221 188 A C 2.431 180.016 177.584 0.002 0.000 1.165 188 A CA 1.825 53.881 52.037 0.031 0.000 0.645 188 A CB -1.165 17.828 19.000 -0.013 0.000 0.807 188 A HN 0.502 nan 8.150 nan 0.000 0.453 189 A N -1.944 120.845 122.820 -0.053 0.000 2.172 189 A HA 0.178 4.521 4.320 0.038 0.000 0.216 189 A C 1.433 178.798 177.584 -0.364 0.000 1.154 189 A CA 0.994 52.888 52.037 -0.240 0.000 0.701 189 A CB -0.562 18.205 19.000 -0.389 0.000 0.789 189 A HN 0.495 nan 8.150 nan 0.000 0.465 190 F N -1.351 118.558 119.950 -0.068 0.000 2.695 190 F HA 0.386 4.937 4.527 0.039 0.000 0.303 190 F C 1.696 177.512 175.800 0.027 0.000 1.091 190 F CA 0.443 58.423 58.000 -0.034 0.000 1.300 190 F CB 0.379 39.373 39.000 -0.009 0.000 1.071 190 F HN 0.298 nan 8.300 nan 0.000 0.578 191 G N 0.471 109.358 108.800 0.144 0.000 2.132 191 G HA2 -0.138 3.845 3.960 0.038 0.000 0.234 191 G HA3 -0.138 3.845 3.960 0.038 0.000 0.234 191 G C 0.471 175.442 174.900 0.119 0.000 0.989 191 G CA -0.247 44.918 45.100 0.107 0.000 0.676 191 G HN 0.719 nan 8.290 nan 0.000 0.522 192 G N -0.705 108.182 108.800 0.145 0.000 2.410 192 G HA2 0.518 4.502 3.960 0.038 0.000 0.330 192 G HA3 0.518 4.502 3.960 0.038 0.000 0.330 192 G C -0.968 173.981 174.900 0.082 0.000 1.142 192 G CA -0.069 45.104 45.100 0.122 0.000 0.902 192 G HN 0.157 nan 8.290 nan 0.000 0.491 193 D N 1.711 122.148 120.400 0.063 0.000 2.347 193 D HA 0.263 4.927 4.640 0.038 0.000 0.235 193 D C -1.153 175.180 176.300 0.055 0.000 1.149 193 D CA -2.222 51.800 54.000 0.036 0.000 0.850 193 D CB 2.114 42.916 40.800 0.002 0.000 1.061 193 D HN 0.045 nan 8.370 nan 0.000 0.487 194 P HA -0.073 nan 4.420 nan 0.000 0.226 194 P C 1.369 178.776 177.300 0.179 0.000 1.153 194 P CA 0.647 63.811 63.100 0.107 0.000 0.777 194 P CB 0.269 32.008 31.700 0.065 0.000 0.794 195 M N -1.182 118.454 119.600 0.060 0.000 2.595 195 M HA 0.038 4.541 4.480 0.038 0.000 0.248 195 M C 0.770 176.740 176.300 -0.550 0.000 1.119 195 M CA 0.709 55.964 55.300 -0.075 0.000 1.079 195 M CB 0.031 32.581 32.600 -0.083 0.000 1.472 195 M HN -0.177 nan 8.290 nan 0.000 0.501 196 S N 0.925 116.474 115.700 -0.251 0.000 2.395 196 S HA 0.441 4.934 4.470 0.038 0.000 0.207 196 S C -0.950 173.689 174.600 0.064 0.000 1.454 196 S CA -0.574 57.463 58.200 -0.272 0.000 1.211 196 S CB 0.480 63.575 63.200 -0.176 0.000 1.093 196 S HN -0.023 nan 8.310 nan 0.000 0.472 197 V N 4.344 124.492 119.914 0.391 0.000 2.409 197 V HA 0.520 4.663 4.120 0.038 0.000 0.291 197 V C 0.002 176.296 176.094 0.333 0.000 1.020 197 V CA -0.512 61.993 62.300 0.342 0.000 0.848 197 V CB 1.853 33.876 31.823 0.332 0.000 0.990 197 V HN 0.738 nan 8.190 nan 0.000 0.430 198 T N 6.559 121.251 114.554 0.230 0.000 2.770 198 T HA 0.574 4.947 4.350 0.038 0.000 0.283 198 T C -0.170 174.688 174.700 0.263 0.000 0.988 198 T CA -0.348 61.894 62.100 0.235 0.000 0.957 198 T CB 0.807 69.758 68.868 0.138 0.000 0.930 198 T HN 0.346 nan 8.240 nan 0.000 0.443 199 L N 4.950 126.311 121.223 0.230 0.000 2.349 199 L HA 0.592 4.955 4.340 0.038 0.000 0.275 199 L C -0.351 176.749 176.870 0.383 0.000 1.115 199 L CA -0.714 54.230 54.840 0.172 0.000 0.820 199 L CB 0.149 42.098 42.059 -0.182 0.000 1.135 199 L HN 0.611 nan 8.230 nan 0.000 0.445 200 F N 0.681 120.719 119.950 0.147 0.000 2.578 200 F HA 0.947 5.497 4.527 0.038 0.000 0.311 200 F C -0.242 175.571 175.800 0.022 0.000 1.094 200 F CA -1.736 56.395 58.000 0.219 0.000 0.923 200 F CB 1.446 40.721 39.000 0.458 0.000 1.230 200 F HN 0.418 nan 8.300 nan 0.000 0.450 201 G N 1.515 110.219 108.800 -0.159 0.000 2.692 201 G HA2 0.516 4.499 3.960 0.038 0.000 0.291 201 G HA3 0.516 4.499 3.960 0.038 0.000 0.291 201 G C -2.283 172.420 174.900 -0.328 0.000 1.423 201 G CA -0.730 43.909 45.100 -0.768 0.000 0.843 201 G HN 0.861 nan 8.290 nan 0.000 0.486 205 G N 0.550 109.131 108.800 -0.364 0.000 2.408 205 G HA2 0.153 4.136 3.960 0.038 0.000 0.217 205 G HA3 0.153 4.136 3.960 0.038 0.000 0.217 205 G C 1.627 176.352 174.900 -0.291 0.000 1.150 205 G CA 1.696 46.545 45.100 -0.417 0.000 0.776 205 G HN 1.164 nan 8.290 nan 0.000 0.542 206 A N 1.398 124.108 122.820 -0.183 0.000 1.858 206 A HA 0.260 4.604 4.320 0.038 0.000 0.216 206 A C 2.856 180.414 177.584 -0.042 0.000 1.190 206 A CA 2.321 54.316 52.037 -0.071 0.000 0.617 206 A CB -0.988 18.018 19.000 0.011 0.000 0.827 206 A HN 0.819 nan 8.150 nan 0.000 0.443 207 A N -0.369 122.447 122.820 -0.008 0.000 1.917 207 A HA -0.135 4.208 4.320 0.038 0.000 0.219 207 A C 2.441 180.020 177.584 -0.009 0.000 1.182 207 A CA 2.316 54.334 52.037 -0.031 0.000 0.633 207 A CB -0.954 18.011 19.000 -0.058 0.000 0.819 207 A HN 0.484 nan 8.150 nan 0.000 0.448 208 S N -0.480 115.216 115.700 -0.007 0.000 2.356 208 S HA -0.142 4.351 4.470 0.038 0.000 0.223 208 S C 1.894 176.459 174.600 -0.057 0.000 1.032 208 S CA 1.398 59.564 58.200 -0.057 0.000 1.005 208 S CB -0.619 62.493 63.200 -0.147 0.000 0.867 208 S HN 0.358 nan 8.310 nan 0.000 0.449 209 V N 1.940 121.828 119.914 -0.043 0.000 2.282 209 V HA -0.221 3.922 4.120 0.038 0.000 0.249 209 V C 2.659 178.758 176.094 0.007 0.000 1.057 209 V CA 2.035 64.321 62.300 -0.024 0.000 1.032 209 V CB -1.626 30.160 31.823 -0.061 0.000 0.645 209 V HN 0.606 nan 8.190 nan 0.000 0.447 210 G N -0.883 107.912 108.800 -0.008 0.000 2.469 210 G HA2 -0.323 3.661 3.960 0.038 0.000 0.219 210 G HA3 -0.323 3.661 3.960 0.038 0.000 0.219 210 G C 1.616 176.536 174.900 0.035 0.000 1.150 210 G CA 1.355 46.457 45.100 0.004 0.000 0.763 210 G HN 0.467 nan 8.290 nan 0.000 0.561 211 M N -0.333 119.262 119.600 -0.008 0.000 2.254 211 M HA 0.043 4.546 4.480 0.038 0.000 0.265 211 M C 2.277 178.626 176.300 0.081 0.000 1.066 211 M CA 0.750 56.068 55.300 0.031 0.000 1.123 211 M CB -0.191 32.397 32.600 -0.019 0.000 1.388 211 M HN 0.216 nan 8.290 nan 0.000 0.425 212 H N -0.106 119.062 119.070 0.163 0.000 2.423 212 H HA -0.031 4.548 4.556 0.038 0.000 0.297 212 H C 2.088 177.597 175.328 0.302 0.000 1.075 212 H CA 1.402 57.546 56.048 0.161 0.000 1.342 212 H CB -0.298 29.418 29.762 -0.078 0.000 1.395 212 H HN 0.418 nan 8.280 nan 0.000 0.530 213 I N 0.633 121.442 120.570 0.398 0.000 2.394 213 I HA -0.213 3.980 4.170 0.038 0.000 0.251 213 I C 1.652 177.951 176.117 0.304 0.000 1.136 213 I CA 0.974 62.535 61.300 0.436 0.000 1.425 213 I CB -0.000 38.176 38.000 0.293 0.000 1.079 213 I HN 0.096 nan 8.210 nan 0.000 0.425 214 L N -0.766 120.584 121.223 0.212 0.000 2.653 214 L HA 0.146 4.509 4.340 0.038 0.000 0.231 214 L C 0.669 177.575 176.870 0.061 0.000 1.153 214 L CA 0.030 54.966 54.840 0.161 0.000 0.933 214 L CB 0.049 42.186 42.059 0.130 0.000 1.175 214 L HN 0.011 nan 8.230 nan 0.000 0.473 215 S N -0.217 115.491 115.700 0.013 0.000 2.774 215 S HA 0.230 4.723 4.470 0.038 0.000 0.297 215 S C 0.569 175.095 174.600 -0.123 0.000 1.143 215 S CA -0.601 57.495 58.200 -0.174 0.000 1.090 215 S CB 1.221 64.070 63.200 -0.584 0.000 1.019 215 S HN 0.155 nan 8.310 nan 0.000 0.482 216 L N 7.087 128.249 121.223 -0.102 0.000 2.021 216 L HA 0.059 4.422 4.340 0.038 0.000 0.215 216 L C -1.108 175.723 176.870 -0.065 0.000 1.074 216 L CA 2.340 57.139 54.840 -0.069 0.000 0.760 216 L CB -1.111 40.907 42.059 -0.069 0.000 0.889 216 L HN 0.494 nan 8.230 nan 0.000 0.433 217 P HA -0.073 nan 4.420 nan 0.000 0.225 217 P C 1.623 178.925 177.300 0.002 0.000 1.148 217 P CA 1.268 64.337 63.100 -0.053 0.000 0.779 217 P CB 0.003 31.661 31.700 -0.070 0.000 0.780 218 S N -0.938 114.788 115.700 0.043 0.000 2.446 218 S HA 0.009 4.502 4.470 0.038 0.000 0.225 218 S C 1.823 176.562 174.600 0.232 0.000 1.016 218 S CA 0.471 58.799 58.200 0.213 0.000 0.943 218 S CB -0.341 63.119 63.200 0.433 0.000 0.786 218 S HN 0.069 nan 8.310 nan 0.000 0.508 219 R N 2.015 122.550 120.500 0.058 0.000 2.193 219 R HA 0.023 4.386 4.340 0.038 0.000 0.229 219 R C 2.074 178.186 176.300 -0.313 0.000 1.110 219 R CA 1.168 57.141 56.100 -0.213 0.000 0.988 219 R CB -1.042 29.164 30.300 -0.157 0.000 0.871 219 R HN 0.547 nan 8.270 nan 0.000 0.458 220 S N -0.336 115.274 115.700 -0.151 0.000 2.603 220 S HA 0.117 4.610 4.470 0.038 0.000 0.220 220 S C 1.631 176.139 174.600 -0.153 0.000 0.967 220 S CA 0.097 58.203 58.200 -0.157 0.000 0.920 220 S CB -0.062 63.090 63.200 -0.080 0.000 0.773 220 S HN 0.195 nan 8.310 nan 0.000 0.529 221 L N 0.224 121.394 121.223 -0.088 0.000 2.693 221 L HA 0.486 4.849 4.340 0.038 0.000 0.235 221 L C -0.062 176.852 176.870 0.074 0.000 1.127 221 L CA -0.296 54.556 54.840 0.020 0.000 0.914 221 L CB 0.111 42.238 42.059 0.114 0.000 1.193 221 L HN 0.473 nan 8.230 nan 0.000 0.502 222 F N -4.062 115.712 119.950 -0.292 0.000 2.711 222 F HA 0.470 5.020 4.527 0.038 0.000 0.313 222 F C 0.491 176.010 175.800 -0.469 0.000 1.141 222 F CA -1.047 56.778 58.000 -0.291 0.000 0.941 222 F CB 0.789 39.748 39.000 -0.069 0.000 1.349 222 F HN -0.123 nan 8.300 nan 0.000 0.464 223 H N -0.599 118.493 119.070 0.037 0.000 3.058 223 H HA 0.466 5.045 4.556 0.038 0.000 0.258 223 H C -0.092 175.233 175.328 -0.004 0.000 1.015 223 H CA -0.070 55.925 56.048 -0.088 0.000 1.210 223 H CB 1.078 30.807 29.762 -0.055 0.000 1.481 223 H HN 0.429 nan 8.280 nan 0.000 0.492 224 R N 0.128 120.814 120.500 0.311 0.000 2.734 224 R HA 0.706 5.069 4.340 0.038 0.000 0.271 224 R C -1.554 175.020 176.300 0.457 0.000 1.021 224 R CA -0.680 55.583 56.100 0.271 0.000 0.893 224 R CB 2.808 33.093 30.300 -0.024 0.000 1.244 224 R HN 0.141 nan 8.270 nan 0.000 0.464 225 A N 0.888 123.996 122.820 0.480 0.000 2.574 225 A HA 0.652 4.995 4.320 0.038 0.000 0.297 225 A C -1.594 176.162 177.584 0.286 0.000 1.062 225 A CA -0.574 51.687 52.037 0.372 0.000 0.686 225 A CB 1.958 21.145 19.000 0.313 0.000 1.285 225 A HN 0.272 nan 8.150 nan 0.000 0.403 226 V N 2.052 122.092 119.914 0.209 0.000 2.483 226 V HA 0.508 4.651 4.120 0.038 0.000 0.297 226 V C -1.138 175.062 176.094 0.177 0.000 1.027 226 V CA -0.285 62.075 62.300 0.099 0.000 0.855 226 V CB 1.268 33.175 31.823 0.140 0.000 0.995 226 V HN 0.685 nan 8.190 nan 0.000 0.424 227 L N 5.272 126.568 121.223 0.122 0.000 2.318 227 L HA 0.520 4.883 4.340 0.038 0.000 0.277 227 L C 0.038 177.018 176.870 0.184 0.000 1.008 227 L CA 0.068 54.976 54.840 0.113 0.000 0.846 227 L CB 1.490 43.570 42.059 0.035 0.000 1.220 227 L HN 0.626 nan 8.230 nan 0.000 0.423 228 Q N 2.076 122.034 119.800 0.263 0.000 2.368 228 Q HA 0.421 4.784 4.340 0.038 0.000 0.256 228 Q C 0.235 176.361 176.000 0.210 0.000 0.980 228 Q CA -0.510 55.510 55.803 0.362 0.000 0.887 228 Q CB 1.286 30.337 28.738 0.522 0.000 1.221 228 Q HN 0.616 nan 8.270 nan 0.000 0.458 229 S N 0.982 116.781 115.700 0.164 0.000 3.581 229 S HA -0.172 4.321 4.470 0.038 0.000 0.354 229 S C 0.041 174.708 174.600 0.111 0.000 1.059 229 S CA 0.590 58.864 58.200 0.123 0.000 1.060 229 S CB -1.124 62.155 63.200 0.132 0.000 0.908 229 S HN 0.973 nan 8.310 nan 0.000 0.475 230 G N -0.502 108.373 108.800 0.124 0.000 2.632 230 G HA2 0.697 4.680 3.960 0.038 0.000 0.292 230 G HA3 0.697 4.680 3.960 0.038 0.000 0.292 230 G C -0.917 174.029 174.900 0.077 0.000 1.465 230 G CA 0.212 45.438 45.100 0.209 0.000 0.824 230 G HN 0.955 nan 8.290 nan 0.000 0.509 231 T N -1.691 112.857 114.554 -0.010 0.000 2.853 231 T HA 0.708 5.081 4.350 0.038 0.000 0.311 231 T C -2.514 172.039 174.700 -0.245 0.000 1.307 231 T CA -1.317 60.713 62.100 -0.117 0.000 1.019 231 T CB 2.763 71.562 68.868 -0.114 0.000 1.264 231 T HN 0.238 nan 8.240 nan 0.000 0.497 232 P HA 0.010 nan 4.420 nan 0.000 0.220 232 P C 0.445 177.599 177.300 -0.244 0.000 1.152 232 P CA 0.665 63.647 63.100 -0.196 0.000 0.812 232 P CB -0.127 31.513 31.700 -0.100 0.000 0.792 233 N N 0.587 119.164 118.700 -0.205 0.000 2.317 233 N HA 0.283 5.046 4.740 0.038 0.000 0.245 233 N C 0.765 176.097 175.510 -0.297 0.000 1.294 233 N CA 0.676 53.607 53.050 -0.199 0.000 0.924 233 N CB -0.043 38.370 38.487 -0.122 0.000 1.186 233 N HN 0.221 nan 8.380 nan 0.000 0.495 234 G N -0.985 107.667 108.800 -0.248 0.000 2.592 234 G HA2 -0.124 3.859 3.960 0.038 0.000 0.684 234 G HA3 -0.124 3.859 3.960 0.038 0.000 0.684 234 G C -2.301 172.409 174.900 -0.317 0.000 1.291 234 G CA -0.287 44.640 45.100 -0.289 0.000 0.891 234 G HN 0.483 nan 8.290 nan 0.000 0.544 235 P HA 0.088 nan 4.420 nan 0.000 0.222 235 P C 1.627 178.924 177.300 -0.005 0.000 1.153 235 P CA 2.255 65.288 63.100 -0.111 0.000 0.798 235 P CB -0.031 31.596 31.700 -0.122 0.000 0.796 236 W N -1.869 119.413 121.300 -0.031 0.000 2.940 236 W HA 0.592 5.275 4.660 0.038 0.000 0.297 236 W C 1.115 177.678 176.519 0.073 0.000 1.149 236 W CA 0.443 57.813 57.345 0.042 0.000 1.564 236 W CB -0.814 28.704 29.460 0.098 0.000 1.010 236 W HN -0.167 nan 8.180 nan 0.000 0.578 237 A N 1.765 124.285 122.820 -0.500 0.000 2.081 237 A HA 0.142 4.485 4.320 0.038 0.000 0.214 237 A C 1.202 178.617 177.584 -0.282 0.000 1.158 237 A CA 1.722 53.487 52.037 -0.452 0.000 0.724 237 A CB -0.722 17.719 19.000 -0.931 0.000 0.826 237 A HN 0.222 nan 8.150 nan 0.000 0.463 238 T N -4.580 109.830 114.554 -0.239 0.000 2.887 238 T HA 0.632 5.005 4.350 0.038 0.000 0.292 238 T C -0.917 173.698 174.700 -0.142 0.000 1.087 238 T CA -0.420 61.558 62.100 -0.203 0.000 1.009 238 T CB 1.526 70.288 68.868 -0.177 0.000 1.203 238 T HN 0.690 nan 8.240 nan 0.000 0.518 239 V N 0.989 120.828 119.914 -0.126 0.000 3.012 239 V HA 0.723 4.866 4.120 0.038 0.000 0.307 239 V C -0.100 175.946 176.094 -0.080 0.000 1.166 239 V CA -0.256 61.982 62.300 -0.103 0.000 0.974 239 V CB 2.385 34.136 31.823 -0.121 0.000 1.040 239 V HN 1.509 nan 8.190 nan 0.000 0.428 240 S N 4.555 120.213 115.700 -0.069 0.000 2.600 240 S HA 0.562 5.055 4.470 0.038 0.000 0.265 240 S C 1.337 175.909 174.600 -0.045 0.000 1.325 240 S CA 0.271 58.440 58.200 -0.052 0.000 1.002 240 S CB 1.522 64.693 63.200 -0.048 0.000 0.921 240 S HN 1.794 nan 8.310 nan 0.000 0.554 241 A N 2.227 125.028 122.820 -0.032 0.000 1.902 241 A HA 0.140 4.483 4.320 0.038 0.000 0.217 241 A C 2.206 179.772 177.584 -0.029 0.000 1.181 241 A CA 1.683 53.706 52.037 -0.024 0.000 0.623 241 A CB -1.855 17.137 19.000 -0.014 0.000 0.818 241 A HN 1.155 nan 8.150 nan 0.000 0.443 242 G N -0.272 108.508 108.800 -0.033 0.000 2.459 242 G HA2 -0.299 3.684 3.960 0.038 0.000 0.217 242 G HA3 -0.299 3.684 3.960 0.038 0.000 0.217 242 G C 1.465 176.336 174.900 -0.048 0.000 1.183 242 G CA 1.430 46.508 45.100 -0.037 0.000 0.776 242 G HN 0.572 nan 8.290 nan 0.000 0.552 243 E N 0.955 121.119 120.200 -0.059 0.000 2.153 243 E HA 0.062 4.435 4.350 0.038 0.000 0.194 243 E C 2.579 179.123 176.600 -0.094 0.000 0.988 243 E CA 1.419 57.770 56.400 -0.081 0.000 0.811 243 E CB -0.501 29.144 29.700 -0.092 0.000 0.746 243 E HN 0.314 nan 8.360 nan 0.000 0.466 244 A N 0.701 123.478 122.820 -0.072 0.000 1.897 244 A HA -0.116 4.227 4.320 0.038 0.000 0.215 244 A C 2.277 179.846 177.584 -0.025 0.000 1.181 244 A CA 1.515 53.520 52.037 -0.053 0.000 0.620 244 A CB -0.577 18.413 19.000 -0.015 0.000 0.821 244 A HN 0.267 nan 8.150 nan 0.000 0.443 245 R N -0.445 120.038 120.500 -0.029 0.000 2.091 245 R HA -0.169 4.194 4.340 0.038 0.000 0.238 245 R C 2.445 178.726 176.300 -0.032 0.000 1.136 245 R CA 1.773 57.857 56.100 -0.027 0.000 0.959 245 R CB -0.310 29.973 30.300 -0.029 0.000 0.856 245 R HN 0.518 nan 8.270 nan 0.000 0.437 246 R N 0.344 120.817 120.500 -0.046 0.000 2.073 246 R HA -0.128 4.235 4.340 0.038 0.000 0.234 246 R C 2.262 178.528 176.300 -0.056 0.000 1.134 246 R CA 1.828 57.897 56.100 -0.053 0.000 0.952 246 R CB -0.090 30.170 30.300 -0.067 0.000 0.850 246 R HN 0.286 nan 8.270 nan 0.000 0.433 247 R N -0.273 120.177 120.500 -0.083 0.000 2.075 247 R HA -0.051 4.312 4.340 0.038 0.000 0.232 247 R C 2.346 178.691 176.300 0.076 0.000 1.126 247 R CA 1.249 57.286 56.100 -0.106 0.000 0.963 247 R CB -0.337 29.753 30.300 -0.350 0.000 0.858 247 R HN 0.230 nan 8.270 nan 0.000 0.435 248 A N 0.627 123.524 122.820 0.128 0.000 1.902 248 A HA -0.153 4.190 4.320 0.038 0.000 0.217 248 A C 2.165 179.752 177.584 0.005 0.000 1.181 248 A CA 1.932 54.031 52.037 0.103 0.000 0.623 248 A CB -0.779 18.221 19.000 0.000 0.000 0.818 248 A HN 0.265 nan 8.150 nan 0.000 0.443 249 T N 0.046 114.593 114.554 -0.012 0.000 2.777 249 T HA -0.105 4.268 4.350 0.038 0.000 0.266 249 T C 1.818 176.505 174.700 -0.021 0.000 1.040 249 T CA 1.376 63.460 62.100 -0.028 0.000 1.141 249 T CB -0.345 68.505 68.868 -0.030 0.000 0.868 249 T HN 0.294 nan 8.240 nan 0.000 0.444 250 L N 1.263 122.478 121.223 -0.013 0.000 2.079 250 L HA 0.053 4.416 4.340 0.038 0.000 0.210 250 L C 2.118 178.989 176.870 0.001 0.000 1.081 250 L CA 1.504 56.337 54.840 -0.012 0.000 0.752 250 L CB -0.935 41.111 42.059 -0.022 0.000 0.896 250 L HN 0.236 nan 8.230 nan 0.000 0.433 251 L N -0.626 120.620 121.223 0.038 0.000 2.109 251 L HA 0.041 4.404 4.340 0.038 0.000 0.207 251 L C 2.447 179.297 176.870 -0.032 0.000 1.086 251 L CA 1.687 56.554 54.840 0.045 0.000 0.760 251 L CB -0.712 41.428 42.059 0.136 0.000 0.910 251 L HN 0.227 nan 8.230 nan 0.000 0.437 252 A N 0.148 122.942 122.820 -0.043 0.000 1.877 252 A HA -0.272 4.071 4.320 0.038 0.000 0.216 252 A C 2.523 180.072 177.584 -0.058 0.000 1.186 252 A CA 1.939 53.942 52.037 -0.057 0.000 0.620 252 A CB -0.742 18.223 19.000 -0.058 0.000 0.822 252 A HN 0.544 nan 8.150 nan 0.000 0.443 253 R N -0.226 120.243 120.500 -0.051 0.000 2.083 253 R HA -0.093 4.270 4.340 0.038 0.000 0.237 253 R C 1.950 178.198 176.300 -0.087 0.000 1.137 253 R CA 1.715 57.783 56.100 -0.053 0.000 0.951 253 R CB -0.491 29.786 30.300 -0.038 0.000 0.851 253 R HN 0.504 nan 8.270 nan 0.000 0.434 254 L N 1.050 122.198 121.223 -0.124 0.000 2.187 254 L HA -0.117 4.246 4.340 0.038 0.000 0.213 254 L C 1.939 178.551 176.870 -0.429 0.000 1.100 254 L CA 1.096 55.778 54.840 -0.263 0.000 0.765 254 L CB -0.147 41.739 42.059 -0.289 0.000 0.904 254 L HN 0.295 nan 8.230 nan 0.000 0.437 255 V N -3.854 115.905 119.914 -0.259 0.000 3.271 255 V HA 0.501 4.644 4.120 0.038 0.000 0.327 255 V C 0.972 177.032 176.094 -0.057 0.000 1.389 255 V CA 0.154 62.361 62.300 -0.155 0.000 1.156 255 V CB -0.235 31.555 31.823 -0.054 0.000 1.103 255 V HN 0.413 nan 8.190 nan 0.000 0.453 256 G N -0.334 108.431 108.800 -0.058 0.000 2.248 256 G HA2 -0.204 3.779 3.960 0.038 0.000 0.263 256 G HA3 -0.204 3.779 3.960 0.038 0.000 0.263 256 G C -0.058 174.833 174.900 -0.015 0.000 1.082 256 G CA 0.063 45.148 45.100 -0.025 0.000 0.863 256 G HN 0.743 nan 8.290 nan 0.000 0.495 266 D N 1.635 122.027 120.400 -0.014 0.000 2.103 266 D HA -0.143 4.520 4.640 0.038 0.000 0.190 266 D C 1.408 177.701 176.300 -0.012 0.000 0.997 266 D CA 2.089 56.077 54.000 -0.019 0.000 0.833 266 D CB -0.170 40.620 40.800 -0.017 0.000 0.961 266 D HN 0.612 nan 8.370 nan 0.000 0.447 267 T N 1.433 115.986 114.554 -0.001 0.000 2.699 267 T HA -0.151 4.222 4.350 0.038 0.000 0.268 267 T C 1.653 176.360 174.700 0.012 0.000 1.036 267 T CA 1.198 63.303 62.100 0.009 0.000 1.147 267 T CB -0.064 68.811 68.868 0.011 0.000 0.862 267 T HN 0.125 nan 8.240 nan 0.000 0.446 268 E N 0.720 120.923 120.200 0.006 0.000 2.072 268 E HA 0.027 4.400 4.350 0.038 0.000 0.190 268 E C 2.216 178.819 176.600 0.006 0.000 0.982 268 E CA 0.453 56.858 56.400 0.008 0.000 0.803 268 E CB -0.716 28.986 29.700 0.004 0.000 0.755 268 E HN 0.307 nan 8.360 nan 0.000 0.453 269 L N 0.971 122.190 121.223 -0.007 0.000 2.012 269 L HA -0.162 4.201 4.340 0.038 0.000 0.210 269 L C 2.267 179.129 176.870 -0.014 0.000 1.073 269 L CA 1.450 56.278 54.840 -0.019 0.000 0.748 269 L CB -0.372 41.664 42.059 -0.039 0.000 0.891 269 L HN 0.066 nan 8.230 nan 0.000 0.431 270 I N -1.061 119.502 120.570 -0.011 0.000 2.315 270 I HA -0.250 3.943 4.170 0.038 0.000 0.248 270 I C 2.546 178.722 176.117 0.099 0.000 1.117 270 I CA 0.972 62.285 61.300 0.022 0.000 1.404 270 I CB -0.607 37.407 38.000 0.024 0.000 1.071 270 I HN 0.313 nan 8.210 nan 0.000 0.419 271 A N -0.159 122.699 122.820 0.064 0.000 1.908 271 A HA -0.300 4.043 4.320 0.038 0.000 0.218 271 A C 2.533 180.156 177.584 0.065 0.000 1.181 271 A CA 2.022 54.097 52.037 0.064 0.000 0.627 271 A CB -1.353 17.671 19.000 0.040 0.000 0.818 271 A HN 0.611 nan 8.150 nan 0.000 0.445 272 c N -0.531 118.099 118.600 0.049 0.000 2.446 272 c HA 0.003 4.596 4.570 0.038 0.000 0.277 272 c C 2.634 176.765 174.090 0.068 0.000 1.275 272 c CA 1.045 57.400 56.329 0.044 0.000 1.727 272 c CB -1.602 40.922 42.510 0.023 0.000 2.010 272 c HN 0.592 nan 8.230 nan 0.000 0.486 273 L N 0.423 121.702 121.223 0.094 0.000 2.042 273 L HA -0.162 4.201 4.340 0.038 0.000 0.210 273 L C 2.971 179.976 176.870 0.225 0.000 1.076 273 L CA 1.683 56.623 54.840 0.168 0.000 0.749 273 L CB -0.746 41.422 42.059 0.182 0.000 0.893 273 L HN 0.345 nan 8.230 nan 0.000 0.432 274 R N -0.399 120.232 120.500 0.217 0.000 2.193 274 R HA -0.128 4.235 4.340 0.038 0.000 0.229 274 R C 2.206 178.531 176.300 0.042 0.000 1.110 274 R CA 1.722 57.880 56.100 0.097 0.000 0.988 274 R CB -0.451 29.895 30.300 0.076 0.000 0.871 274 R HN 0.535 nan 8.270 nan 0.000 0.458 275 T N -1.535 113.051 114.554 0.054 0.000 3.113 275 T HA 0.083 4.456 4.350 0.038 0.000 0.256 275 T C 0.861 175.582 174.700 0.034 0.000 1.131 275 T CA -0.059 62.060 62.100 0.033 0.000 1.074 275 T CB 0.142 69.028 68.868 0.031 0.000 0.944 275 T HN -0.138 nan 8.240 nan 0.000 0.516 276 R N 2.715 123.246 120.500 0.052 0.000 2.390 276 R HA 0.389 4.752 4.340 0.038 0.000 0.291 276 R C -2.760 173.564 176.300 0.039 0.000 1.070 276 R CA -2.734 53.399 56.100 0.054 0.000 1.014 276 R CB 0.001 30.346 30.300 0.077 0.000 1.007 276 R HN 0.249 nan 8.270 nan 0.000 0.466 277 P HA -0.012 nan 4.420 nan 0.000 0.264 277 P C 0.399 177.695 177.300 -0.008 0.000 1.193 277 P CA 0.243 63.339 63.100 -0.008 0.000 0.763 277 P CB 0.615 32.318 31.700 0.004 0.000 0.810 278 A N 3.595 126.344 122.820 -0.118 0.000 1.929 278 A HA -0.323 4.020 4.320 0.038 0.000 0.221 278 A C 2.130 179.714 177.584 -0.001 0.000 1.211 278 A CA 2.251 54.203 52.037 -0.142 0.000 0.657 278 A CB -1.396 16.974 19.000 -1.051 0.000 0.827 278 A HN 0.541 nan 8.150 nan 0.000 0.462 279 Q N -0.243 119.526 119.800 -0.053 0.000 2.291 279 Q HA -0.141 4.223 4.340 0.038 0.000 0.206 279 Q C 1.209 177.318 176.000 0.181 0.000 0.976 279 Q CA 1.834 57.755 55.803 0.197 0.000 0.875 279 Q CB -0.336 28.527 28.738 0.208 0.000 0.927 279 Q HN 0.692 nan 8.270 nan 0.000 0.450 280 D N -0.437 120.047 120.400 0.139 0.000 2.084 280 D HA -0.125 4.538 4.640 0.038 0.000 0.196 280 D C 1.837 178.262 176.300 0.209 0.000 0.985 280 D CA 1.106 55.207 54.000 0.168 0.000 0.826 280 D CB -0.253 40.638 40.800 0.151 0.000 0.978 280 D HN 0.300 nan 8.370 nan 0.000 0.456 281 L N 0.595 121.914 121.223 0.160 0.000 1.990 281 L HA -0.184 4.179 4.340 0.038 0.000 0.213 281 L C 2.621 179.581 176.870 0.149 0.000 1.072 281 L CA 0.916 55.813 54.840 0.096 0.000 0.755 281 L CB -0.831 41.168 42.059 -0.100 0.000 0.889 281 L HN -0.049 nan 8.230 nan 0.000 0.432 282 V N -0.168 119.890 119.914 0.240 0.000 2.332 282 V HA -0.308 3.835 4.120 0.038 0.000 0.248 282 V C 2.145 178.355 176.094 0.195 0.000 1.055 282 V CA 1.959 64.445 62.300 0.309 0.000 1.038 282 V CB -0.638 31.467 31.823 0.469 0.000 0.651 282 V HN 0.434 nan 8.190 nan 0.000 0.450 283 D N -1.055 119.416 120.400 0.118 0.000 2.228 283 D HA -0.159 4.504 4.640 0.038 0.000 0.203 283 D C 1.876 177.982 176.300 -0.324 0.000 0.988 283 D CA 1.369 55.320 54.000 -0.081 0.000 0.864 283 D CB -0.163 40.548 40.800 -0.149 0.000 0.928 283 D HN 0.567 nan 8.370 nan 0.000 0.469 284 H N -0.936 118.132 119.070 -0.003 0.000 2.986 284 H HA 0.172 4.751 4.556 0.038 0.000 0.267 284 H C 1.516 176.834 175.328 -0.017 0.000 1.072 284 H CA -0.104 55.896 56.048 -0.079 0.000 1.202 284 H CB 0.729 30.522 29.762 0.051 0.000 1.535 284 H HN 0.222 nan 8.280 nan 0.000 0.522 285 E N 0.924 121.246 120.200 0.203 0.000 2.086 285 E HA -0.238 4.135 4.350 0.038 0.000 0.205 285 E C 1.766 178.554 176.600 0.313 0.000 1.027 285 E CA 1.380 58.004 56.400 0.373 0.000 0.830 285 E CB -0.014 29.996 29.700 0.517 0.000 0.751 285 E HN 0.491 nan 8.360 nan 0.000 0.456 286 W N 0.326 121.592 121.300 -0.056 0.000 2.402 286 W HA -0.135 4.548 4.660 0.038 0.000 0.286 286 W C 1.601 178.140 176.519 0.033 0.000 1.221 286 W CA 1.254 58.564 57.345 -0.060 0.000 1.257 286 W CB -0.068 29.302 29.460 -0.150 0.000 1.120 286 W HN 0.355 nan 8.180 nan 0.000 0.551 287 H N -0.972 118.178 119.070 0.133 0.000 2.545 287 H HA -0.109 4.470 4.556 0.038 0.000 0.282 287 H C 2.014 177.314 175.328 -0.047 0.000 1.020 287 H CA 0.689 56.763 56.048 0.043 0.000 1.243 287 H CB -0.025 29.820 29.762 0.138 0.000 1.377 287 H HN -0.066 nan 8.280 nan 0.000 0.581 288 V N 0.740 120.663 119.914 0.016 0.000 2.626 288 V HA -0.149 3.994 4.120 0.038 0.000 0.252 288 V C 1.044 177.014 176.094 -0.208 0.000 1.067 288 V CA 1.180 63.425 62.300 -0.091 0.000 1.081 288 V CB -0.035 31.696 31.823 -0.153 0.000 0.686 288 V HN 0.336 nan 8.190 nan 0.000 0.468 289 L N 1.459 122.492 121.223 -0.316 0.000 2.457 289 L HA 0.379 4.742 4.340 0.038 0.000 0.252 289 L C -2.604 174.061 176.870 -0.342 0.000 1.132 289 L CA -1.653 52.978 54.840 -0.349 0.000 0.938 289 L CB 1.691 43.467 42.059 -0.473 0.000 1.246 289 L HN 0.145 nan 8.230 nan 0.000 0.476 290 P HA 0.012 nan 4.420 nan 0.000 0.264 290 P C -1.047 176.187 177.300 -0.111 0.000 1.193 290 P CA 0.348 63.380 63.100 -0.113 0.000 0.763 290 P CB 0.517 32.184 31.700 -0.055 0.000 0.810 291 Q N 0.991 120.755 119.800 -0.060 0.000 2.647 291 Q HA 0.252 4.615 4.340 0.038 0.000 0.283 291 Q C -0.426 175.658 176.000 0.140 0.000 0.943 291 Q CA -0.789 55.021 55.803 0.011 0.000 0.813 291 Q CB 0.972 29.680 28.738 -0.050 0.000 1.477 291 Q HN 0.290 nan 8.270 nan 0.000 0.393 292 E N 0.422 120.729 120.200 0.178 0.000 2.318 292 E HA 0.099 4.472 4.350 0.038 0.000 0.193 292 E C 0.369 177.139 176.600 0.283 0.000 0.998 292 E CA 0.589 57.116 56.400 0.212 0.000 0.859 292 E CB 0.783 30.588 29.700 0.175 0.000 0.812 292 E HN 0.464 nan 8.360 nan 0.000 0.492 293 S N 0.186 116.089 115.700 0.337 0.000 3.565 293 S HA 0.464 4.957 4.470 0.038 0.000 0.242 293 S C 0.210 175.012 174.600 0.336 0.000 1.023 293 S CA -0.680 57.704 58.200 0.307 0.000 1.300 293 S CB 0.633 64.012 63.200 0.299 0.000 1.198 293 S HN 0.260 nan 8.310 nan 0.000 0.697 294 I N -0.810 119.798 120.570 0.064 0.000 3.621 294 I HA 0.430 4.624 4.170 0.038 0.000 0.325 294 I C -0.010 176.164 176.117 0.095 0.000 1.554 294 I CA -0.090 61.344 61.300 0.222 0.000 1.053 294 I CB -0.132 37.843 38.000 -0.041 0.000 1.302 294 I HN 0.333 nan 8.210 nan 0.000 0.518 295 F N 1.858 121.910 119.950 0.169 0.000 2.113 295 F HA 0.129 4.679 4.527 0.038 0.000 0.297 295 F C 1.619 177.476 175.800 0.095 0.000 1.103 295 F CA 0.961 58.951 58.000 -0.016 0.000 1.248 295 F CB -0.073 38.841 39.000 -0.143 0.000 0.999 295 F HN 0.086 nan 8.300 nan 0.000 0.475 296 R N 0.106 120.765 120.500 0.266 0.000 2.598 296 R HA 0.387 4.750 4.340 0.038 0.000 0.279 296 R C -1.303 175.098 176.300 0.168 0.000 0.984 296 R CA -0.706 55.509 56.100 0.191 0.000 0.999 296 R CB 1.252 31.578 30.300 0.043 0.000 1.114 296 R HN 0.006 nan 8.270 nan 0.000 0.493 297 F N -0.231 119.769 119.950 0.084 0.000 2.546 297 F HA 0.255 4.805 4.527 0.038 0.000 0.320 297 F C 0.816 176.549 175.800 -0.113 0.000 1.076 297 F CA -0.607 57.416 58.000 0.039 0.000 0.928 297 F CB 1.894 41.153 39.000 0.431 0.000 1.189 297 F HN 0.511 nan 8.300 nan 0.000 0.465 298 S N 2.703 117.521 115.700 -1.471 0.000 2.383 298 S HA -0.018 4.475 4.470 0.038 0.000 0.227 298 S C -0.083 173.593 174.600 -1.540 0.000 1.026 298 S CA 0.953 58.285 58.200 -1.447 0.000 0.981 298 S CB -0.337 61.925 63.200 -1.563 0.000 0.818 298 S HN 0.393 nan 8.310 nan 0.000 0.472 299 F N 2.111 121.471 119.950 -0.983 0.000 2.434 299 F HA 0.567 5.118 4.527 0.039 0.000 0.367 299 F C 0.054 175.978 175.800 0.207 0.000 1.093 299 F CA -1.142 56.777 58.000 -0.134 0.000 1.085 299 F CB 0.983 40.050 39.000 0.111 0.000 1.322 299 F HN -0.093 nan 8.300 nan 0.000 0.452 300 V N 0.070 119.995 119.914 0.017 0.000 3.164 300 V HA 0.789 4.932 4.120 0.038 0.000 0.313 300 V C -2.873 172.903 176.094 -0.530 0.000 1.188 300 V CA -3.356 58.650 62.300 -0.490 0.000 1.058 300 V CB 2.040 33.713 31.823 -0.250 0.000 1.110 300 V HN 0.164 nan 8.190 nan 0.000 0.453 301 P HA 0.227 nan 4.420 nan 0.000 0.267 301 P C -0.801 176.381 177.300 -0.197 0.000 1.200 301 P CA 0.340 63.206 63.100 -0.390 0.000 0.772 301 P CB 0.738 32.129 31.700 -0.516 0.000 0.855 302 V N 4.481 124.348 119.914 -0.078 0.000 2.581 302 V HA 0.227 4.370 4.120 0.038 0.000 0.303 302 V C -0.309 175.767 176.094 -0.030 0.000 1.041 302 V CA -0.899 61.372 62.300 -0.049 0.000 0.907 302 V CB 2.062 33.881 31.823 -0.006 0.000 0.994 302 V HN 0.132 nan 8.190 nan 0.000 0.442 303 V N 7.333 127.228 119.914 -0.031 0.000 2.359 303 V HA 0.135 4.278 4.120 0.038 0.000 0.248 303 V C 0.875 176.975 176.094 0.009 0.000 1.091 303 V CA 0.391 62.686 62.300 -0.008 0.000 1.103 303 V CB 0.021 31.831 31.823 -0.021 0.000 1.176 303 V HN 1.059 nan 8.190 nan 0.000 0.488 304 D N 2.656 123.077 120.400 0.034 0.000 2.339 304 D HA 0.091 4.754 4.640 0.038 0.000 0.217 304 D C 1.630 177.953 176.300 0.038 0.000 1.050 304 D CA 0.664 54.687 54.000 0.039 0.000 0.856 304 D CB 0.258 41.095 40.800 0.061 0.000 0.922 304 D HN 0.633 nan 8.370 nan 0.000 0.518 305 G N 0.737 109.559 108.800 0.037 0.000 2.175 305 G HA2 -0.375 3.608 3.960 0.038 0.000 0.265 305 G HA3 -0.375 3.608 3.960 0.038 0.000 0.265 305 G C 0.555 175.477 174.900 0.036 0.000 0.979 305 G CA 0.983 46.099 45.100 0.028 0.000 0.663 305 G HN 0.558 nan 8.290 nan 0.000 0.533 306 D N -1.441 118.997 120.400 0.064 0.000 3.061 306 D HA 0.217 4.880 4.640 0.038 0.000 0.243 306 D C 1.818 178.173 176.300 0.091 0.000 1.572 306 D CA 0.476 54.518 54.000 0.070 0.000 1.269 306 D CB -0.578 40.274 40.800 0.086 0.000 1.023 306 D HN 0.100 nan 8.370 nan 0.000 0.280 307 F N 1.029 120.986 119.950 0.012 0.000 2.095 307 F HA 0.145 4.695 4.527 0.038 0.000 0.298 307 F C 0.564 176.365 175.800 0.001 0.000 1.104 307 F CA 1.222 59.229 58.000 0.012 0.000 1.232 307 F CB 0.117 39.122 39.000 0.008 0.000 0.987 307 F HN -0.013 nan 8.300 nan 0.000 0.475 308 L N 0.884 122.265 121.223 0.264 0.000 2.301 308 L HA 0.199 4.562 4.340 0.038 0.000 0.278 308 L C 1.449 178.358 176.870 0.065 0.000 1.022 308 L CA -0.170 54.754 54.840 0.141 0.000 0.854 308 L CB 1.235 43.371 42.059 0.129 0.000 1.226 308 L HN 0.091 nan 8.230 nan 0.000 0.429 309 S N 0.523 116.240 115.700 0.029 0.000 2.419 309 S HA -0.094 4.399 4.470 0.038 0.000 0.235 309 S C 0.540 175.147 174.600 0.012 0.000 1.019 309 S CA 0.900 59.108 58.200 0.013 0.000 0.982 309 S CB 0.110 63.307 63.200 -0.005 0.000 0.789 309 S HN 0.720 nan 8.310 nan 0.000 0.490 310 D N -0.079 120.330 120.400 0.014 0.000 2.759 310 D HA 0.318 4.981 4.640 0.038 0.000 0.321 310 D C -0.769 175.534 176.300 0.005 0.000 1.267 310 D CA 0.097 54.101 54.000 0.007 0.000 0.933 310 D CB 1.407 42.209 40.800 0.003 0.000 1.431 310 D HN 0.240 nan 8.370 nan 0.000 0.504 311 T N -0.868 113.682 114.554 -0.006 0.000 2.932 311 T HA 0.220 4.594 4.350 0.038 0.000 0.312 311 T C -1.796 172.898 174.700 -0.011 0.000 1.071 311 T CA -0.672 61.418 62.100 -0.017 0.000 1.128 311 T CB 1.012 69.864 68.868 -0.026 0.000 0.984 311 T HN 0.104 nan 8.240 nan 0.000 0.549 312 P HA -0.075 nan 4.420 nan 0.000 0.216 312 P C 1.382 178.678 177.300 -0.008 0.000 1.150 312 P CA 1.029 64.117 63.100 -0.019 0.000 0.837 312 P CB 0.079 31.740 31.700 -0.065 0.000 0.786 313 E N -0.150 120.036 120.200 -0.023 0.000 2.033 313 E HA -0.195 4.178 4.350 0.038 0.000 0.199 313 E C 2.199 178.806 176.600 0.013 0.000 1.011 313 E CA 1.848 58.243 56.400 -0.010 0.000 0.815 313 E CB -1.343 28.345 29.700 -0.019 0.000 0.755 313 E HN 0.101 nan 8.360 nan 0.000 0.451 314 A N 0.447 123.272 122.820 0.008 0.000 1.917 314 A HA -0.204 4.139 4.320 0.038 0.000 0.219 314 A C 2.231 179.835 177.584 0.033 0.000 1.182 314 A CA 1.521 53.567 52.037 0.015 0.000 0.633 314 A CB -0.724 18.279 19.000 0.005 0.000 0.819 314 A HN 0.221 nan 8.150 nan 0.000 0.448 315 L N -0.415 120.835 121.223 0.044 0.000 2.179 315 L HA -0.049 4.314 4.340 0.038 0.000 0.208 315 L C 2.521 179.483 176.870 0.153 0.000 1.096 315 L CA 1.257 56.141 54.840 0.074 0.000 0.779 315 L CB -0.472 41.633 42.059 0.076 0.000 0.922 315 L HN 0.684 nan 8.230 nan 0.000 0.443 316 I N -3.145 117.517 120.570 0.153 0.000 2.876 316 I HA -0.067 4.126 4.170 0.038 0.000 0.264 316 I C 1.782 178.031 176.117 0.220 0.000 1.204 316 I CA 0.998 62.439 61.300 0.235 0.000 1.485 316 I CB -0.310 37.739 38.000 0.081 0.000 1.103 316 I HN 0.141 nan 8.210 nan 0.000 0.446 317 N N 1.514 120.287 118.700 0.122 0.000 2.354 317 N HA -0.085 4.678 4.740 0.038 0.000 0.179 317 N C 1.746 177.305 175.510 0.081 0.000 1.021 317 N CA 1.941 55.046 53.050 0.092 0.000 0.887 317 N CB -0.183 38.336 38.487 0.053 0.000 0.974 317 N HN 0.670 nan 8.380 nan 0.000 0.437 318 T N -3.771 110.821 114.554 0.063 0.000 3.040 318 T HA 0.318 4.691 4.350 0.038 0.000 0.266 318 T C 0.931 175.596 174.700 -0.059 0.000 1.005 318 T CA -0.435 61.670 62.100 0.008 0.000 0.906 318 T CB 0.097 68.961 68.868 -0.007 0.000 1.082 318 T HN 0.025 nan 8.240 nan 0.000 0.531 319 G N 0.861 109.618 108.800 -0.072 0.000 2.594 319 G HA2 0.408 4.391 3.960 0.038 0.000 0.243 319 G HA3 0.408 4.391 3.960 0.038 0.000 0.243 319 G C -1.072 173.424 174.900 -0.673 0.000 1.229 319 G CA -0.369 44.435 45.100 -0.494 0.000 0.843 319 G HN 0.324 nan 8.290 nan 0.000 0.578 320 D N -0.055 119.862 120.400 -0.805 0.000 2.414 320 D HA 0.384 5.047 4.640 0.038 0.000 0.232 320 D C -0.360 175.564 176.300 -0.627 0.000 1.070 320 D CA -0.668 53.021 54.000 -0.518 0.000 0.839 320 D CB 0.644 41.287 40.800 -0.262 0.000 1.079 320 D HN 0.167 nan 8.370 nan 0.000 0.521 321 F N 2.104 122.058 119.950 0.006 0.000 2.735 321 F HA 0.144 4.694 4.527 0.039 0.000 0.304 321 F C 2.046 177.851 175.800 0.009 0.000 1.119 321 F CA -0.553 57.453 58.000 0.011 0.000 1.280 321 F CB 0.622 39.638 39.000 0.026 0.000 0.994 321 F HN 0.246 nan 8.300 nan 0.000 0.520 322 Q N 0.697 120.553 119.800 0.095 0.000 2.082 322 Q HA -0.221 4.142 4.340 0.038 0.000 0.211 322 Q C 0.759 176.798 176.000 0.065 0.000 1.002 322 Q CA 1.683 57.525 55.803 0.063 0.000 0.868 322 Q CB -0.226 28.522 28.738 0.016 0.000 0.931 322 Q HN 0.382 nan 8.270 nan 0.000 0.414 323 D N -0.130 120.301 120.400 0.052 0.000 2.491 323 D HA 0.143 4.806 4.640 0.038 0.000 0.228 323 D C -0.419 175.911 176.300 0.050 0.000 1.183 323 D CA -0.108 53.915 54.000 0.037 0.000 0.827 323 D CB -0.008 40.798 40.800 0.010 0.000 0.989 323 D HN 0.023 nan 8.370 nan 0.000 0.494 324 L N 1.091 122.371 121.223 0.095 0.000 2.307 324 L HA 0.352 4.715 4.340 0.038 0.000 0.284 324 L C -0.755 176.185 176.870 0.117 0.000 1.023 324 L CA -0.399 54.506 54.840 0.108 0.000 0.810 324 L CB 1.650 43.811 42.059 0.171 0.000 1.231 324 L HN -0.243 nan 8.230 nan 0.000 0.423 325 Q N 3.369 123.247 119.800 0.129 0.000 2.274 325 Q HA 0.794 5.157 4.340 0.038 0.000 0.260 325 Q C -1.390 174.844 176.000 0.390 0.000 0.974 325 Q CA -0.523 55.408 55.803 0.213 0.000 0.876 325 Q CB 2.554 31.371 28.738 0.132 0.000 1.297 325 Q HN 0.488 nan 8.270 nan 0.000 0.446 326 V N 2.317 122.470 119.914 0.398 0.000 2.733 326 V HA 0.456 4.599 4.120 0.038 0.000 0.306 326 V C -1.551 174.544 176.094 0.002 0.000 1.084 326 V CA -0.852 61.600 62.300 0.253 0.000 0.905 326 V CB 1.999 33.870 31.823 0.080 0.000 1.010 326 V HN 0.632 nan 8.190 nan 0.000 0.424 327 L N 6.878 127.868 121.223 -0.389 0.000 2.313 327 L HA 0.948 5.312 4.340 0.038 0.000 0.283 327 L C -0.492 176.265 176.870 -0.188 0.000 1.013 327 L CA -0.119 54.400 54.840 -0.535 0.000 0.816 327 L CB 1.706 42.967 42.059 -1.329 0.000 1.236 327 L HN 0.659 nan 8.230 nan 0.000 0.419 328 V N 1.845 121.727 119.914 -0.054 0.000 3.078 328 V HA 1.125 5.268 4.120 0.038 0.000 0.311 328 V C -0.350 175.562 176.094 -0.304 0.000 1.138 328 V CA 0.231 62.491 62.300 -0.067 0.000 1.007 328 V CB 1.317 33.064 31.823 -0.126 0.000 1.045 328 V HN 1.145 nan 8.190 nan 0.000 0.432 329 G N 0.564 109.015 108.800 -0.582 0.000 2.506 329 G HA2 0.780 4.763 3.960 0.038 0.000 0.292 329 G HA3 0.780 4.763 3.960 0.038 0.000 0.292 329 G C -1.224 173.325 174.900 -0.584 0.000 1.425 329 G CA 0.056 44.290 45.100 -1.444 0.000 0.788 329 G HN 2.074 nan 8.290 nan 0.000 0.490 330 V N -2.257 117.460 119.914 -0.328 0.000 3.130 330 V HA 0.925 5.068 4.120 0.038 0.000 0.310 330 V C 0.430 176.712 176.094 0.313 0.000 1.158 330 V CA -0.481 61.859 62.300 0.066 0.000 1.029 330 V CB 1.079 32.923 31.823 0.034 0.000 1.057 330 V HN 1.749 nan 8.190 nan 0.000 0.436 331 V N -0.521 119.597 119.914 0.339 0.000 3.234 331 V HA 0.561 4.704 4.120 0.038 0.000 0.317 331 V C 1.425 177.700 176.094 0.302 0.000 1.081 331 V CA 0.042 62.597 62.300 0.425 0.000 1.037 331 V CB 1.175 33.241 31.823 0.405 0.000 1.148 331 V HN 1.071 nan 8.190 nan 0.000 0.453 332 K N -0.456 120.117 120.400 0.287 0.000 2.148 332 K HA -0.050 4.293 4.320 0.038 0.000 0.204 332 K C 0.356 177.053 176.600 0.161 0.000 1.050 332 K CA 1.777 58.182 56.287 0.198 0.000 0.942 332 K CB 0.076 32.668 32.500 0.154 0.000 0.724 332 K HN 0.893 nan 8.250 nan 0.000 0.446 333 D N 1.158 121.643 120.400 0.143 0.000 2.607 333 D HA 0.028 4.691 4.640 0.038 0.000 0.318 333 D C 0.059 176.388 176.300 0.047 0.000 1.212 333 D CA -0.083 53.976 54.000 0.098 0.000 0.861 333 D CB 1.302 42.137 40.800 0.058 0.000 1.064 333 D HN 0.127 nan 8.370 nan 0.000 0.500 334 E N 0.533 120.792 120.200 0.099 0.000 2.171 334 E HA -0.144 4.229 4.350 0.038 0.000 0.197 334 E C 1.937 178.542 176.600 0.009 0.000 0.997 334 E CA 0.809 57.260 56.400 0.085 0.000 0.810 334 E CB 0.118 29.946 29.700 0.213 0.000 0.738 334 E HN 0.459 nan 8.360 nan 0.000 0.467 335 G N 0.755 109.639 108.800 0.141 0.000 2.603 335 G HA2 -0.157 3.826 3.960 0.038 0.000 0.214 335 G HA3 -0.157 3.826 3.960 0.038 0.000 0.214 335 G C 1.714 176.727 174.900 0.188 0.000 1.140 335 G CA 0.792 46.069 45.100 0.296 0.000 0.800 335 G HN 0.374 nan 8.290 nan 0.000 0.533 336 S N 0.081 115.801 115.700 0.032 0.000 2.370 336 S HA -0.216 4.277 4.470 0.038 0.000 0.226 336 S C 2.130 176.678 174.600 -0.088 0.000 1.033 336 S CA 1.176 59.387 58.200 0.018 0.000 1.011 336 S CB -0.680 62.438 63.200 -0.135 0.000 0.852 336 S HN 0.273 nan 8.310 nan 0.000 0.457 337 Y N 1.784 121.845 120.300 -0.398 0.000 2.114 337 Y HA -0.107 4.466 4.550 0.039 0.000 0.282 337 Y C 2.025 177.826 175.900 -0.164 0.000 1.165 337 Y CA 0.929 58.752 58.100 -0.462 0.000 1.148 337 Y CB -1.033 37.017 38.460 -0.683 0.000 0.972 337 Y HN 0.253 nan 8.280 nan 0.000 0.504 338 F N -0.520 119.486 119.950 0.094 0.000 2.091 338 F HA -0.298 4.251 4.527 0.037 0.000 0.299 338 F C 2.327 178.163 175.800 0.060 0.000 1.103 338 F CA 1.579 59.557 58.000 -0.038 0.000 1.228 338 F CB -1.189 37.708 39.000 -0.172 0.000 0.984 338 F HN -0.015 nan 8.300 nan 0.000 0.477 339 L N -0.066 121.322 121.223 0.275 0.000 2.042 339 L HA -0.198 4.165 4.340 0.038 0.000 0.210 339 L C 2.371 179.383 176.870 0.237 0.000 1.076 339 L CA 1.323 56.218 54.840 0.091 0.000 0.749 339 L CB -1.210 40.653 42.059 -0.327 0.000 0.893 339 L HN 0.164 nan 8.230 nan 0.000 0.432 340 V N -4.344 115.762 119.914 0.320 0.000 3.241 340 V HA -0.215 3.928 4.120 0.038 0.000 0.269 340 V C 0.839 176.996 176.094 0.104 0.000 1.151 340 V CA 0.936 63.412 62.300 0.294 0.000 1.158 340 V CB -1.440 30.560 31.823 0.294 0.000 0.764 340 V HN 0.305 nan 8.190 nan 0.000 0.508 341 Y N 2.029 122.459 120.300 0.216 0.000 2.845 341 Y HA 0.650 5.223 4.550 0.038 0.000 0.385 341 Y C 1.459 177.443 175.900 0.140 0.000 1.133 341 Y CA 0.140 58.329 58.100 0.148 0.000 1.660 341 Y CB 0.355 38.864 38.460 0.082 0.000 1.683 341 Y HN 0.360 nan 8.280 nan 0.000 0.503 342 G N -0.325 108.629 108.800 0.255 0.000 2.148 342 G HA2 -0.214 3.769 3.960 0.038 0.000 0.203 342 G HA3 -0.214 3.769 3.960 0.038 0.000 0.203 342 G C -0.540 174.514 174.900 0.257 0.000 0.993 342 G CA -0.266 44.977 45.100 0.239 0.000 0.661 342 G HN 0.197 nan 8.290 nan 0.000 0.518 343 V N 2.022 122.105 119.914 0.282 0.000 2.353 343 V HA 0.392 4.535 4.120 0.038 0.000 0.264 343 V C -1.567 174.756 176.094 0.381 0.000 1.049 343 V CA -1.656 60.822 62.300 0.297 0.000 0.896 343 V CB 1.127 33.066 31.823 0.194 0.000 1.025 343 V HN 0.126 nan 8.190 nan 0.000 0.475 344 P HA 0.237 nan 4.420 nan 0.000 0.264 344 P C 1.050 178.506 177.300 0.259 0.000 1.183 344 P CA 1.281 64.519 63.100 0.231 0.000 0.763 344 P CB 0.684 32.477 31.700 0.154 0.000 0.807 345 G N 1.270 110.143 108.800 0.122 0.000 2.238 345 G HA2 -0.195 3.788 3.960 0.038 0.000 0.217 345 G HA3 -0.195 3.788 3.960 0.038 0.000 0.217 345 G C -0.267 174.442 174.900 -0.318 0.000 0.996 345 G CA -0.592 44.429 45.100 -0.132 0.000 0.632 345 G HN 0.394 nan 8.290 nan 0.000 0.503 346 F N 2.024 121.999 119.950 0.042 0.000 2.458 346 F HA 0.757 5.306 4.527 0.038 0.000 0.336 346 F C 0.587 176.488 175.800 0.168 0.000 1.114 346 F CA -0.244 57.794 58.000 0.062 0.000 0.987 346 F CB 2.299 41.388 39.000 0.147 0.000 1.130 346 F HN 0.400 nan 8.300 nan 0.000 0.458 347 S N 1.915 117.830 115.700 0.358 0.000 2.596 347 S HA 0.353 4.846 4.470 0.038 0.000 0.270 347 S C 0.197 175.077 174.600 0.466 0.000 1.155 347 S CA -0.880 57.547 58.200 0.378 0.000 0.827 347 S CB 1.777 65.116 63.200 0.232 0.000 1.130 347 S HN 0.756 nan 8.310 nan 0.000 0.467 348 K N 0.126 120.718 120.400 0.320 0.000 2.365 348 K HA 0.063 4.406 4.320 0.038 0.000 0.199 348 K C 0.113 176.736 176.600 0.038 0.000 1.045 348 K CA 1.230 57.605 56.287 0.146 0.000 0.962 348 K CB -0.219 32.099 32.500 -0.302 0.000 0.759 348 K HN 0.512 nan 8.250 nan 0.000 0.469 349 D N 0.785 121.205 120.400 0.032 0.000 2.367 349 D HA 0.012 4.675 4.640 0.038 0.000 0.207 349 D C -0.251 176.068 176.300 0.031 0.000 1.034 349 D CA 0.304 54.287 54.000 -0.028 0.000 0.861 349 D CB 0.151 40.915 40.800 -0.060 0.000 0.943 349 D HN 0.501 nan 8.370 nan 0.000 0.515 350 N N -1.135 117.615 118.700 0.083 0.000 2.629 350 N HA 0.154 4.917 4.740 0.038 0.000 0.279 350 N C 0.157 175.696 175.510 0.049 0.000 1.344 350 N CA -0.631 52.442 53.050 0.038 0.000 0.789 350 N CB 0.930 39.403 38.487 -0.023 0.000 1.508 350 N HN -0.361 nan 8.380 nan 0.000 0.516 351 E N -0.615 119.555 120.200 -0.050 0.000 2.516 351 E HA 0.021 4.394 4.350 0.038 0.000 0.199 351 E C -0.519 175.728 176.600 -0.589 0.000 1.069 351 E CA 0.223 56.532 56.400 -0.152 0.000 0.876 351 E CB -0.258 29.391 29.700 -0.086 0.000 0.843 351 E HN 0.584 nan 8.360 nan 0.000 0.530 352 S N 0.208 115.589 115.700 -0.533 0.000 3.614 352 S HA -0.191 4.302 4.470 0.038 0.000 0.360 352 S C 0.105 174.260 174.600 -0.741 0.000 1.023 352 S CA 0.148 57.886 58.200 -0.769 0.000 1.114 352 S CB -1.579 60.890 63.200 -1.219 0.000 0.907 352 S HN 0.322 nan 8.310 nan 0.000 0.470 353 L N 1.898 122.848 121.223 -0.454 0.000 2.369 353 L HA 0.427 4.790 4.340 0.038 0.000 0.279 353 L C 0.825 177.500 176.870 -0.326 0.000 1.108 353 L CA -0.042 54.596 54.840 -0.338 0.000 0.852 353 L CB 0.058 41.989 42.059 -0.212 0.000 1.169 353 L HN 0.459 nan 8.230 nan 0.000 0.452 354 I N 0.181 120.558 120.570 -0.322 0.000 2.822 354 I HA 0.618 4.811 4.170 0.038 0.000 0.312 354 I C 0.601 176.650 176.117 -0.112 0.000 1.011 354 I CA -0.673 60.479 61.300 -0.248 0.000 1.105 354 I CB 1.925 39.758 38.000 -0.277 0.000 1.291 354 I HN 0.569 nan 8.210 nan 0.000 0.474 355 S N 2.637 118.305 115.700 -0.053 0.000 2.655 355 S HA 0.317 4.810 4.470 0.038 0.000 0.265 355 S C 0.977 175.610 174.600 0.054 0.000 1.240 355 S CA -0.344 57.852 58.200 -0.006 0.000 0.986 355 S CB 1.452 64.656 63.200 0.007 0.000 0.985 355 S HN 0.875 nan 8.310 nan 0.000 0.562 356 R N 0.364 120.901 120.500 0.062 0.000 2.066 356 R HA -0.002 4.361 4.340 0.038 0.000 0.232 356 R C 2.462 178.863 176.300 0.168 0.000 1.131 356 R CA 1.568 57.747 56.100 0.130 0.000 0.955 356 R CB -1.207 29.143 30.300 0.084 0.000 0.851 356 R HN 0.826 nan 8.270 nan 0.000 0.432 357 A N 0.553 123.433 122.820 0.100 0.000 1.908 357 A HA -0.244 4.099 4.320 0.038 0.000 0.218 357 A C 2.072 179.712 177.584 0.093 0.000 1.181 357 A CA 1.700 53.785 52.037 0.081 0.000 0.627 357 A CB -0.573 18.460 19.000 0.054 0.000 0.818 357 A HN 0.534 nan 8.150 nan 0.000 0.445 358 Q N -1.860 118.005 119.800 0.109 0.000 2.124 358 Q HA -0.136 4.227 4.340 0.038 0.000 0.202 358 Q C 1.908 178.032 176.000 0.208 0.000 0.977 358 Q CA 1.520 57.402 55.803 0.132 0.000 0.850 358 Q CB -0.294 28.504 28.738 0.100 0.000 0.901 358 Q HN 0.820 nan 8.270 nan 0.000 0.429 359 F N 0.892 120.887 119.950 0.074 0.000 2.134 359 F HA -0.259 4.295 4.527 0.044 0.000 0.299 359 F C 1.957 177.798 175.800 0.067 0.000 1.097 359 F CA 0.743 58.796 58.000 0.088 0.000 1.264 359 F CB 0.006 39.040 39.000 0.057 0.000 1.001 359 F HN 0.102 nan 8.300 nan 0.000 0.479 360 L N 1.188 122.341 121.223 -0.117 0.000 2.046 360 L HA -0.047 4.316 4.340 0.038 0.000 0.208 360 L C 2.409 179.185 176.870 -0.157 0.000 1.077 360 L CA 2.117 56.821 54.840 -0.227 0.000 0.747 360 L CB -1.423 40.596 42.059 -0.066 0.000 0.896 360 L HN 0.159 nan 8.230 nan 0.000 0.432 361 A N -0.510 122.281 122.820 -0.049 0.000 1.930 361 A HA -0.010 4.333 4.320 0.038 0.000 0.217 361 A C 2.344 179.914 177.584 -0.024 0.000 1.175 361 A CA 1.300 53.326 52.037 -0.018 0.000 0.627 361 A CB -1.548 17.471 19.000 0.033 0.000 0.815 361 A HN 0.536 nan 8.150 nan 0.000 0.443 362 G N -0.474 108.326 108.800 -0.000 0.000 2.442 362 G HA2 -0.158 3.825 3.960 0.038 0.000 0.219 362 G HA3 -0.158 3.825 3.960 0.038 0.000 0.219 362 G C 1.468 176.293 174.900 -0.124 0.000 1.141 362 G CA 1.313 46.421 45.100 0.014 0.000 0.763 362 G HN 0.330 nan 8.290 nan 0.000 0.554 363 V N 0.778 120.554 119.914 -0.230 0.000 2.548 363 V HA -0.073 4.070 4.120 0.038 0.000 0.249 363 V C 2.899 178.873 176.094 -0.200 0.000 1.055 363 V CA 1.367 63.511 62.300 -0.260 0.000 1.065 363 V CB -0.326 31.283 31.823 -0.356 0.000 0.681 363 V HN 0.208 nan 8.190 nan 0.000 0.462 364 R N -0.018 120.392 120.500 -0.151 0.000 2.148 364 R HA 0.047 4.410 4.340 0.038 0.000 0.227 364 R C 1.983 178.204 176.300 -0.130 0.000 1.103 364 R CA 1.253 57.285 56.100 -0.114 0.000 0.983 364 R CB -0.706 29.552 30.300 -0.069 0.000 0.874 364 R HN 0.476 nan 8.270 nan 0.000 0.451 365 I N -0.774 119.710 120.570 -0.144 0.000 2.400 365 I HA -0.032 4.161 4.170 0.038 0.000 0.248 365 I C 2.228 178.056 176.117 -0.483 0.000 1.109 365 I CA 1.237 62.448 61.300 -0.147 0.000 1.425 365 I CB -0.470 37.535 38.000 0.009 0.000 1.094 365 I HN 0.164 nan 8.210 nan 0.000 0.425 366 G N 0.529 108.907 108.800 -0.703 0.000 2.464 366 G HA2 -0.021 3.962 3.960 0.038 0.000 0.217 366 G HA3 -0.021 3.962 3.960 0.038 0.000 0.217 366 G C 0.877 175.321 174.900 -0.761 0.000 1.138 366 G CA 0.336 44.642 45.100 -1.324 0.000 0.793 366 G HN 0.228 nan 8.290 nan 0.000 0.539 367 V N 2.289 121.944 119.914 -0.432 0.000 2.326 367 V HA 0.211 4.354 4.120 0.038 0.000 0.254 367 V C -1.320 174.667 176.094 -0.178 0.000 1.022 367 V CA -1.133 60.981 62.300 -0.310 0.000 1.074 367 V CB 1.273 32.937 31.823 -0.264 0.000 1.305 367 V HN 0.091 nan 8.190 nan 0.000 0.506 368 P HA -0.177 nan 4.420 nan 0.000 0.221 368 P C 0.904 178.172 177.300 -0.053 0.000 1.145 368 P CA 1.178 64.227 63.100 -0.086 0.000 0.795 368 P CB 0.406 32.075 31.700 -0.052 0.000 0.775 369 Q N -0.223 119.558 119.800 -0.033 0.000 2.451 369 Q HA 0.254 4.617 4.340 0.038 0.000 0.206 369 Q C 1.079 177.062 176.000 -0.028 0.000 0.947 369 Q CA 0.228 56.021 55.803 -0.017 0.000 0.937 369 Q CB -0.574 28.177 28.738 0.021 0.000 1.025 369 Q HN 0.165 nan 8.270 nan 0.000 0.511 370 A N 1.285 124.078 122.820 -0.046 0.000 2.363 370 A HA 0.493 4.836 4.320 0.038 0.000 0.270 370 A C 0.406 177.967 177.584 -0.039 0.000 1.121 370 A CA -0.509 51.502 52.037 -0.045 0.000 0.800 370 A CB 0.332 19.300 19.000 -0.053 0.000 1.052 370 A HN 0.334 nan 8.150 nan 0.000 0.493 371 S N 1.854 117.533 115.700 -0.036 0.000 2.617 371 S HA 0.142 4.635 4.470 0.038 0.000 0.259 371 S C 0.346 174.934 174.600 -0.020 0.000 1.301 371 S CA 0.083 58.266 58.200 -0.028 0.000 0.984 371 S CB 0.389 63.572 63.200 -0.029 0.000 0.954 371 S HN 0.622 nan 8.310 nan 0.000 0.572 372 D N 0.238 120.630 120.400 -0.013 0.000 2.104 372 D HA -0.102 4.561 4.640 0.038 0.000 0.194 372 D C 1.764 178.070 176.300 0.010 0.000 0.994 372 D CA 1.018 55.016 54.000 -0.004 0.000 0.830 372 D CB -0.540 40.260 40.800 -0.000 0.000 0.959 372 D HN 0.397 nan 8.370 nan 0.000 0.452 373 L N 0.847 122.077 121.223 0.012 0.000 2.017 373 L HA -0.076 4.287 4.340 0.038 0.000 0.208 373 L C 2.149 179.048 176.870 0.049 0.000 1.073 373 L CA 1.875 56.734 54.840 0.033 0.000 0.745 373 L CB -0.922 41.152 42.059 0.026 0.000 0.894 373 L HN 0.009 nan 8.230 nan 0.000 0.432 374 A N -0.522 122.308 122.820 0.018 0.000 1.908 374 A HA -0.159 4.184 4.320 0.038 0.000 0.218 374 A C 2.464 180.071 177.584 0.037 0.000 1.181 374 A CA 2.022 54.068 52.037 0.014 0.000 0.627 374 A CB -1.263 17.710 19.000 -0.044 0.000 0.818 374 A HN 0.588 nan 8.150 nan 0.000 0.445 375 A N -0.442 122.384 122.820 0.011 0.000 1.908 375 A HA -0.234 4.109 4.320 0.038 0.000 0.218 375 A C 1.959 179.562 177.584 0.031 0.000 1.181 375 A CA 1.954 53.990 52.037 -0.001 0.000 0.627 375 A CB -0.576 18.406 19.000 -0.029 0.000 0.818 375 A HN 0.638 nan 8.150 nan 0.000 0.445 376 E N -0.640 119.594 120.200 0.055 0.000 2.106 376 E HA -0.037 4.336 4.350 0.038 0.000 0.192 376 E C 2.288 178.972 176.600 0.140 0.000 0.984 376 E CA 0.829 57.282 56.400 0.088 0.000 0.806 376 E CB -0.246 29.503 29.700 0.082 0.000 0.750 376 E HN 0.620 nan 8.360 nan 0.000 0.458 377 A N 0.475 123.398 122.820 0.172 0.000 1.908 377 A HA -0.171 4.172 4.320 0.038 0.000 0.218 377 A C 2.410 180.138 177.584 0.239 0.000 1.181 377 A CA 1.274 53.462 52.037 0.252 0.000 0.627 377 A CB -0.646 18.603 19.000 0.415 0.000 0.818 377 A HN 0.142 nan 8.150 nan 0.000 0.445 378 V N -0.441 119.627 119.914 0.257 0.000 2.237 378 V HA -0.239 3.904 4.120 0.038 0.000 0.245 378 V C 2.587 178.853 176.094 0.288 0.000 1.046 378 V CA 1.971 64.422 62.300 0.251 0.000 1.007 378 V CB -0.879 31.050 31.823 0.178 0.000 0.638 378 V HN 0.369 nan 8.190 nan 0.000 0.445 379 V N 0.010 120.029 119.914 0.176 0.000 2.278 379 V HA -0.329 3.814 4.120 0.038 0.000 0.251 379 V C 2.299 178.597 176.094 0.340 0.000 1.062 379 V CA 2.358 64.787 62.300 0.215 0.000 1.038 379 V CB -0.621 31.259 31.823 0.096 0.000 0.646 379 V HN 0.463 nan 8.190 nan 0.000 0.447 380 L N -0.965 120.443 121.223 0.310 0.000 2.217 380 L HA -0.152 4.211 4.340 0.038 0.000 0.211 380 L C 2.483 179.560 176.870 0.346 0.000 1.107 380 L CA 1.645 56.746 54.840 0.435 0.000 0.783 380 L CB -0.732 41.509 42.059 0.303 0.000 0.919 380 L HN 0.483 nan 8.230 nan 0.000 0.442 381 H N -0.718 118.360 119.070 0.013 0.000 2.363 381 H HA -0.158 4.423 4.556 0.042 0.000 0.301 381 H C 1.740 176.966 175.328 -0.170 0.000 1.074 381 H CA 1.822 57.715 56.048 -0.259 0.000 1.354 381 H CB 0.073 29.318 29.762 -0.861 0.000 1.397 381 H HN 0.224 nan 8.280 nan 0.000 0.516 382 Y N -0.193 120.133 120.300 0.043 0.000 2.478 382 Y HA 0.153 4.725 4.550 0.037 0.000 0.261 382 Y C 0.768 176.624 175.900 -0.072 0.000 1.127 382 Y CA 0.277 58.410 58.100 0.055 0.000 1.288 382 Y CB 0.346 38.993 38.460 0.311 0.000 1.084 382 Y HN 0.023 nan 8.280 nan 0.000 0.530 383 T N 1.641 116.184 114.554 -0.017 0.000 2.902 383 T HA -0.078 4.295 4.350 0.038 0.000 0.301 383 T C -0.214 174.131 174.700 -0.592 0.000 1.012 383 T CA -0.078 61.745 62.100 -0.462 0.000 1.151 383 T CB 0.202 68.496 68.868 -0.957 0.000 0.946 383 T HN 0.066 nan 8.240 nan 0.000 0.542 384 D N 2.090 122.192 120.400 -0.497 0.000 2.393 384 D HA 0.093 4.756 4.640 0.038 0.000 0.232 384 D C 0.151 176.172 176.300 -0.464 0.000 1.192 384 D CA -0.671 53.103 54.000 -0.377 0.000 0.882 384 D CB 0.348 40.968 40.800 -0.299 0.000 1.038 384 D HN 0.610 nan 8.370 nan 0.000 0.499 385 W N 3.060 124.285 121.300 -0.124 0.000 2.611 385 W HA 0.016 4.698 4.660 0.036 0.000 0.251 385 W C 1.981 178.394 176.519 -0.178 0.000 1.265 385 W CA -0.155 57.117 57.345 -0.122 0.000 1.295 385 W CB 0.008 29.411 29.460 -0.095 0.000 1.129 385 W HN 0.435 nan 8.180 nan 0.000 0.630 386 L N -1.263 119.873 121.223 -0.145 0.000 2.341 386 L HA -0.042 4.321 4.340 0.038 0.000 0.214 386 L C 0.084 176.539 176.870 -0.693 0.000 1.115 386 L CA 0.973 55.578 54.840 -0.391 0.000 0.820 386 L CB -0.190 41.583 42.059 -0.478 0.000 0.944 386 L HN 0.011 nan 8.230 nan 0.000 0.452 387 H N -2.532 116.386 119.070 -0.255 0.000 2.439 387 H HA 0.174 4.737 4.556 0.011 0.000 0.228 387 H C -1.976 173.149 175.328 -0.338 0.000 1.423 387 H CA -1.243 54.624 56.048 -0.301 0.000 1.386 387 H CB 0.333 29.809 29.762 -0.478 0.000 1.641 387 H HN -0.090 nan 8.280 nan 0.000 0.508 388 P HA -0.140 nan 4.420 nan 0.000 0.220 388 P C 0.637 177.812 177.300 -0.208 0.000 1.148 388 P CA 1.331 64.245 63.100 -0.310 0.000 0.803 388 P CB 0.496 32.092 31.700 -0.173 0.000 0.782 389 E N -1.762 118.374 120.200 -0.107 0.000 2.630 389 E HA 0.042 4.415 4.350 0.038 0.000 0.218 389 E C -0.199 176.373 176.600 -0.046 0.000 0.977 389 E CA -0.225 56.136 56.400 -0.065 0.000 1.038 389 E CB 0.078 29.762 29.700 -0.026 0.000 1.051 389 E HN 0.165 nan 8.360 nan 0.000 0.487 390 D N 2.467 122.848 120.400 -0.033 0.000 2.434 390 D HA -0.029 4.634 4.640 0.038 0.000 0.252 390 D C -1.288 175.000 176.300 -0.019 0.000 1.185 390 D CA -1.505 52.499 54.000 0.007 0.000 0.886 390 D CB 1.131 41.985 40.800 0.090 0.000 1.148 390 D HN -0.091 nan 8.370 nan 0.000 0.483 391 P HA -0.134 nan 4.420 nan 0.000 0.217 391 P C 1.172 178.404 177.300 -0.112 0.000 1.150 391 P CA 1.036 64.081 63.100 -0.092 0.000 0.832 391 P CB 0.093 31.731 31.700 -0.102 0.000 0.787 392 T N -0.911 113.586 114.554 -0.097 0.000 2.708 392 T HA -0.170 4.203 4.350 0.038 0.000 0.266 392 T C 1.677 176.294 174.700 -0.137 0.000 1.037 392 T CA 1.666 63.688 62.100 -0.130 0.000 1.146 392 T CB -1.074 67.705 68.868 -0.149 0.000 0.865 392 T HN 0.279 nan 8.240 nan 0.000 0.435 393 H N 0.582 119.573 119.070 -0.131 0.000 2.353 393 H HA 0.089 4.661 4.556 0.026 0.000 0.300 393 H C 2.154 177.360 175.328 -0.203 0.000 1.090 393 H CA 1.165 57.130 56.048 -0.139 0.000 1.327 393 H CB -0.345 29.330 29.762 -0.145 0.000 1.383 393 H HN 0.199 nan 8.280 nan 0.000 0.508 394 L N 0.034 121.173 121.223 -0.139 0.000 2.083 394 L HA -0.165 4.198 4.340 0.038 0.000 0.209 394 L C 2.748 179.517 176.870 -0.168 0.000 1.083 394 L CA 1.102 55.732 54.840 -0.351 0.000 0.752 394 L CB -0.321 41.573 42.059 -0.276 0.000 0.899 394 L HN 0.257 nan 8.230 nan 0.000 0.433 395 R N 0.484 120.947 120.500 -0.062 0.000 2.075 395 R HA -0.173 4.190 4.340 0.038 0.000 0.232 395 R C 1.572 177.978 176.300 0.175 0.000 1.126 395 R CA 1.981 58.129 56.100 0.080 0.000 0.963 395 R CB -0.310 29.898 30.300 -0.154 0.000 0.858 395 R HN 0.322 nan 8.270 nan 0.000 0.435 396 D N 0.443 120.889 120.400 0.076 0.000 2.149 396 D HA -0.042 4.621 4.640 0.038 0.000 0.201 396 D C 1.745 178.130 176.300 0.142 0.000 0.972 396 D CA 1.373 55.447 54.000 0.123 0.000 0.835 396 D CB -0.182 40.648 40.800 0.050 0.000 0.966 396 D HN 0.351 nan 8.370 nan 0.000 0.476 397 A N 0.739 123.600 122.820 0.068 0.000 1.873 397 A HA -0.168 4.175 4.320 0.038 0.000 0.215 397 A C 2.149 179.842 177.584 0.181 0.000 1.186 397 A CA 1.654 53.754 52.037 0.104 0.000 0.616 397 A CB -0.556 18.369 19.000 -0.126 0.000 0.823 397 A HN 0.153 nan 8.150 nan 0.000 0.442 398 M N 0.164 119.919 119.600 0.259 0.000 2.082 398 M HA -0.152 4.351 4.480 0.038 0.000 0.258 398 M C 2.302 178.704 176.300 0.170 0.000 1.069 398 M CA 2.336 57.846 55.300 0.349 0.000 1.102 398 M CB -0.684 32.175 32.600 0.432 0.000 1.336 398 M HN 0.409 nan 8.290 nan 0.000 0.404 399 S N -0.478 115.335 115.700 0.188 0.000 2.374 399 S HA -0.159 4.334 4.470 0.038 0.000 0.227 399 S C 2.001 176.712 174.600 0.185 0.000 1.037 399 S CA 1.773 60.092 58.200 0.198 0.000 1.024 399 S CB -0.631 62.726 63.200 0.261 0.000 0.861 399 S HN 0.662 nan 8.310 nan 0.000 0.456 400 A N 0.691 123.622 122.820 0.185 0.000 1.898 400 A HA 0.041 4.384 4.320 0.038 0.000 0.216 400 A C 2.359 180.020 177.584 0.129 0.000 1.181 400 A CA 1.614 53.792 52.037 0.235 0.000 0.620 400 A CB -1.109 18.126 19.000 0.391 0.000 0.819 400 A HN 0.438 nan 8.150 nan 0.000 0.442 401 V N -0.450 119.353 119.914 -0.186 0.000 2.231 401 V HA -0.286 3.857 4.120 0.038 0.000 0.248 401 V C 2.568 178.642 176.094 -0.033 0.000 1.054 401 V CA 2.302 64.432 62.300 -0.283 0.000 1.015 401 V CB -0.859 30.802 31.823 -0.271 0.000 0.638 401 V HN 0.367 nan 8.190 nan 0.000 0.444 402 V N 0.416 120.330 119.914 -0.000 0.000 2.343 402 V HA -0.169 3.974 4.120 0.038 0.000 0.247 402 V C 2.550 178.716 176.094 0.120 0.000 1.051 402 V CA 2.232 64.543 62.300 0.019 0.000 1.036 402 V CB -1.124 30.781 31.823 0.137 0.000 0.654 402 V HN 0.644 nan 8.190 nan 0.000 0.451 403 G N -0.785 108.142 108.800 0.211 0.000 2.408 403 G HA2 -0.214 3.769 3.960 0.038 0.000 0.217 403 G HA3 -0.214 3.769 3.960 0.038 0.000 0.217 403 G C 1.231 176.213 174.900 0.137 0.000 1.150 403 G CA 0.924 46.172 45.100 0.248 0.000 0.776 403 G HN 0.506 nan 8.290 nan 0.000 0.542 404 D N -0.237 120.213 120.400 0.084 0.000 2.103 404 D HA -0.066 4.597 4.640 0.038 0.000 0.199 404 D C 2.074 178.162 176.300 -0.354 0.000 0.978 404 D CA 1.155 55.157 54.000 0.002 0.000 0.829 404 D CB -0.464 40.498 40.800 0.270 0.000 0.981 404 D HN 0.430 nan 8.370 nan 0.000 0.464 405 H N 0.620 119.215 119.070 -0.792 0.000 2.423 405 H HA 0.036 4.615 4.556 0.038 0.000 0.297 405 H C 1.456 176.560 175.328 -0.373 0.000 1.075 405 H CA 1.565 56.956 56.048 -1.095 0.000 1.342 405 H CB 0.173 29.134 29.762 -1.334 0.000 1.395 405 H HN -0.011 nan 8.280 nan 0.000 0.530 406 N N -0.941 117.632 118.700 -0.211 0.000 2.432 406 N HA 0.017 4.780 4.740 0.038 0.000 0.174 406 N C 1.207 176.865 175.510 0.246 0.000 1.037 406 N CA 1.105 54.178 53.050 0.037 0.000 0.892 406 N CB 1.038 39.624 38.487 0.166 0.000 1.049 406 N HN 0.265 nan 8.380 nan 0.000 0.442 407 V N -0.129 119.887 119.914 0.170 0.000 3.134 407 V HA 0.055 4.198 4.120 0.038 0.000 0.222 407 V C 2.257 178.400 176.094 0.082 0.000 1.247 407 V CA 0.231 62.644 62.300 0.187 0.000 1.281 407 V CB -0.330 31.635 31.823 0.236 0.000 1.169 407 V HN -0.170 nan 8.190 nan 0.000 0.512 408 V N 0.277 120.234 119.914 0.072 0.000 2.282 408 V HA -0.315 3.828 4.120 0.038 0.000 0.249 408 V C 2.483 178.587 176.094 0.016 0.000 1.057 408 V CA 2.591 64.916 62.300 0.043 0.000 1.032 408 V CB -1.040 30.832 31.823 0.083 0.000 0.645 408 V HN 0.671 nan 8.190 nan 0.000 0.447 409 c N -0.561 118.043 118.600 0.007 0.000 2.475 409 c HA 0.048 4.641 4.570 0.038 0.000 0.279 409 c C 0.593 174.683 174.090 -0.001 0.000 1.322 409 c CA 0.721 57.068 56.329 0.030 0.000 1.734 409 c CB -1.757 40.799 42.510 0.077 0.000 2.005 409 c HN 0.448 nan 8.230 nan 0.000 0.495 410 P HA -0.083 nan 4.420 nan 0.000 0.215 410 P C 1.771 179.039 177.300 -0.053 0.000 1.153 410 P CA 1.426 64.494 63.100 -0.054 0.000 0.853 410 P CB -0.177 31.479 31.700 -0.074 0.000 0.788 411 V N 0.144 120.030 119.914 -0.047 0.000 2.343 411 V HA -0.259 3.884 4.120 0.038 0.000 0.247 411 V C 2.466 178.483 176.094 -0.128 0.000 1.051 411 V CA 2.274 64.522 62.300 -0.087 0.000 1.036 411 V CB -1.754 30.013 31.823 -0.094 0.000 0.654 411 V HN 0.104 nan 8.190 nan 0.000 0.451 412 A N -0.081 122.682 122.820 -0.095 0.000 1.933 412 A HA -0.307 4.036 4.320 0.038 0.000 0.218 412 A C 2.250 179.810 177.584 -0.039 0.000 1.175 412 A CA 2.146 54.128 52.037 -0.091 0.000 0.628 412 A CB -0.502 18.497 19.000 -0.002 0.000 0.814 412 A HN 0.678 nan 8.150 nan 0.000 0.444 413 Q N -0.756 119.036 119.800 -0.012 0.000 2.083 413 Q HA -0.112 4.251 4.340 0.038 0.000 0.198 413 Q C 1.884 177.873 176.000 -0.019 0.000 0.969 413 Q CA 1.661 57.470 55.803 0.010 0.000 0.838 413 Q CB -0.379 28.370 28.738 0.018 0.000 0.900 413 Q HN 0.456 nan 8.270 nan 0.000 0.436 414 L N 0.772 121.957 121.223 -0.063 0.000 2.017 414 L HA -0.045 4.318 4.340 0.038 0.000 0.208 414 L C 2.351 179.155 176.870 -0.109 0.000 1.073 414 L CA 2.264 57.049 54.840 -0.093 0.000 0.745 414 L CB -1.107 40.884 42.059 -0.114 0.000 0.894 414 L HN 0.334 nan 8.230 nan 0.000 0.432 415 A N -0.394 122.330 122.820 -0.161 0.000 1.873 415 A HA -0.173 4.170 4.320 0.038 0.000 0.218 415 A C 2.361 179.945 177.584 0.001 0.000 1.193 415 A CA 1.980 53.877 52.037 -0.234 0.000 0.629 415 A CB -1.748 16.845 19.000 -0.678 0.000 0.826 415 A HN 0.557 nan 8.150 nan 0.000 0.447 416 G N -0.793 108.071 108.800 0.107 0.000 2.446 416 G HA2 -0.231 3.752 3.960 0.038 0.000 0.217 416 G HA3 -0.231 3.752 3.960 0.038 0.000 0.217 416 G C 1.687 176.665 174.900 0.130 0.000 1.168 416 G CA 0.922 46.161 45.100 0.232 0.000 0.771 416 G HN 0.429 nan 8.290 nan 0.000 0.551 417 R N 0.271 120.812 120.500 0.068 0.000 2.066 417 R HA 0.121 4.484 4.340 0.038 0.000 0.232 417 R C 2.690 179.030 176.300 0.067 0.000 1.131 417 R CA 0.511 56.653 56.100 0.070 0.000 0.955 417 R CB -1.227 29.107 30.300 0.055 0.000 0.851 417 R HN 0.394 nan 8.270 nan 0.000 0.432 418 L N 0.471 121.670 121.223 -0.041 0.000 2.042 418 L HA -0.172 4.191 4.340 0.038 0.000 0.210 418 L C 2.632 179.533 176.870 0.052 0.000 1.076 418 L CA 1.644 56.418 54.840 -0.110 0.000 0.749 418 L CB -0.789 41.131 42.059 -0.233 0.000 0.893 418 L HN 0.170 nan 8.230 nan 0.000 0.432 419 A N 0.029 122.899 122.820 0.083 0.000 1.898 419 A HA -0.100 4.243 4.320 0.038 0.000 0.216 419 A C 2.530 180.172 177.584 0.097 0.000 1.181 419 A CA 1.534 53.634 52.037 0.106 0.000 0.620 419 A CB -0.668 18.433 19.000 0.168 0.000 0.819 419 A HN 0.394 nan 8.150 nan 0.000 0.442 420 A N -1.128 121.753 122.820 0.103 0.000 2.024 420 A HA -0.143 4.200 4.320 0.038 0.000 0.220 420 A C 1.764 179.409 177.584 0.101 0.000 1.164 420 A CA 1.619 53.709 52.037 0.088 0.000 0.643 420 A CB -0.306 18.745 19.000 0.086 0.000 0.806 420 A HN 0.620 nan 8.150 nan 0.000 0.451 421 Q N -1.998 117.892 119.800 0.151 0.000 2.206 421 Q HA 0.406 4.769 4.340 0.038 0.000 0.265 421 Q C 0.770 176.887 176.000 0.195 0.000 0.866 421 Q CA 0.342 56.252 55.803 0.179 0.000 1.073 421 Q CB 0.600 29.494 28.738 0.260 0.000 1.165 421 Q HN 0.755 nan 8.270 nan 0.000 0.465 422 G N -0.214 108.671 108.800 0.141 0.000 2.213 422 G HA2 -0.266 3.717 3.960 0.038 0.000 0.226 422 G HA3 -0.266 3.717 3.960 0.038 0.000 0.226 422 G C 0.362 175.336 174.900 0.124 0.000 0.992 422 G CA -0.230 44.939 45.100 0.116 0.000 0.632 422 G HN 0.545 nan 8.290 nan 0.000 0.511 423 A N 0.303 123.215 122.820 0.153 0.000 2.386 423 A HA 0.678 5.021 4.320 0.038 0.000 0.248 423 A C 0.712 178.332 177.584 0.060 0.000 1.082 423 A CA 0.597 52.702 52.037 0.113 0.000 0.789 423 A CB 0.315 19.353 19.000 0.063 0.000 1.025 423 A HN 0.741 nan 8.150 nan 0.000 0.490 424 R N 1.283 121.814 120.500 0.053 0.000 2.221 424 R HA 0.524 4.887 4.340 0.038 0.000 0.327 424 R C -1.586 174.701 176.300 -0.022 0.000 1.033 424 R CA -0.192 55.905 56.100 -0.005 0.000 0.887 424 R CB 0.586 30.905 30.300 0.031 0.000 1.057 424 R HN 0.474 nan 8.270 nan 0.000 0.455 425 V N 5.630 125.458 119.914 -0.144 0.000 2.588 425 V HA 0.424 4.568 4.120 0.038 0.000 0.304 425 V C -1.207 174.716 176.094 -0.286 0.000 1.042 425 V CA -0.812 61.431 62.300 -0.096 0.000 0.877 425 V CB 1.615 33.451 31.823 0.021 0.000 0.996 425 V HN 0.668 nan 8.190 nan 0.000 0.425 426 Y N 1.981 122.253 120.300 -0.047 0.000 2.446 426 Y HA 0.836 5.409 4.550 0.038 0.000 0.345 426 Y C 0.315 176.299 175.900 0.141 0.000 0.984 426 Y CA -0.611 57.462 58.100 -0.045 0.000 1.058 426 Y CB 2.304 40.377 38.460 -0.645 0.000 1.220 426 Y HN 0.784 nan 8.280 nan 0.000 0.455 427 A N 2.565 125.791 122.820 0.676 0.000 2.435 427 A HA 0.871 5.214 4.320 0.038 0.000 0.304 427 A C -1.961 176.028 177.584 0.674 0.000 1.064 427 A CA -0.722 51.579 52.037 0.440 0.000 0.727 427 A CB 1.229 20.297 19.000 0.114 0.000 1.284 427 A HN 0.766 nan 8.150 nan 0.000 0.415 428 Y N -0.622 119.923 120.300 0.408 0.000 2.597 428 Y HA 0.793 5.365 4.550 0.038 0.000 0.340 428 Y C -1.270 174.812 175.900 0.303 0.000 1.097 428 Y CA -1.557 56.730 58.100 0.313 0.000 1.037 428 Y CB 1.292 39.929 38.460 0.296 0.000 1.305 428 Y HN 0.735 nan 8.280 nan 0.000 0.463 429 I N 3.411 124.296 120.570 0.525 0.000 2.436 429 I HA 0.481 4.674 4.170 0.038 0.000 0.289 429 I C -1.844 174.622 176.117 0.582 0.000 1.010 429 I CA -1.037 60.535 61.300 0.454 0.000 1.098 429 I CB 1.158 39.366 38.000 0.346 0.000 1.266 429 I HN 0.744 nan 8.210 nan 0.000 0.434 430 F N 7.304 127.554 119.950 0.499 0.000 2.410 430 F HA 0.416 4.966 4.527 0.039 0.000 0.349 430 F C 0.504 176.467 175.800 0.272 0.000 1.117 430 F CA 0.065 58.305 58.000 0.399 0.000 1.104 430 F CB 1.026 40.288 39.000 0.436 0.000 1.122 430 F HN 0.550 nan 8.300 nan 0.000 0.483 431 E N 2.799 122.846 120.200 -0.255 0.000 2.641 431 E HA -0.021 4.352 4.350 0.038 0.000 0.224 431 E C -0.784 175.684 176.600 -0.219 0.000 0.951 431 E CA -0.181 56.151 56.400 -0.113 0.000 1.102 431 E CB 0.310 29.976 29.700 -0.057 0.000 1.091 431 E HN 0.539 nan 8.360 nan 0.000 0.507 432 H N 1.647 120.337 119.070 -0.633 0.000 2.580 432 H HA 0.237 4.816 4.556 0.038 0.000 0.322 432 H C -0.398 174.878 175.328 -0.087 0.000 1.082 432 H CA -0.280 55.482 56.048 -0.478 0.000 1.383 432 H CB 0.594 29.849 29.762 -0.845 0.000 1.450 432 H HN -0.160 nan 8.280 nan 0.000 0.505 433 R N 4.154 124.268 120.500 -0.643 0.000 2.198 433 R HA 0.476 4.839 4.340 0.038 0.000 0.339 433 R C -0.616 175.389 176.300 -0.492 0.000 1.020 433 R CA -0.710 55.178 56.100 -0.353 0.000 0.864 433 R CB 0.282 30.464 30.300 -0.197 0.000 1.105 433 R HN 0.840 nan 8.270 nan 0.000 0.463 434 A N 3.273 126.112 122.820 0.032 0.000 2.580 434 A HA -0.052 4.291 4.320 0.038 0.000 0.244 434 A C 1.431 179.095 177.584 0.134 0.000 1.045 434 A CA 0.763 53.026 52.037 0.377 0.000 0.761 434 A CB 0.152 19.491 19.000 0.564 0.000 0.962 434 A HN 1.034 nan 8.150 nan 0.000 0.512 435 S N 1.880 117.701 115.700 0.201 0.000 2.440 435 S HA -0.188 4.305 4.470 0.038 0.000 0.240 435 S C 1.287 175.875 174.600 -0.021 0.000 1.014 435 S CA 1.794 60.041 58.200 0.079 0.000 0.980 435 S CB -0.800 62.475 63.200 0.125 0.000 0.775 435 S HN 1.367 nan 8.310 nan 0.000 0.499 436 T N -1.377 113.136 114.554 -0.069 0.000 3.105 436 T HA 0.419 4.792 4.350 0.038 0.000 0.253 436 T C 0.292 174.901 174.700 -0.152 0.000 1.047 436 T CA -0.618 61.374 62.100 -0.179 0.000 0.944 436 T CB -0.449 68.190 68.868 -0.381 0.000 1.016 436 T HN 0.251 nan 8.240 nan 0.000 0.544 437 L N 3.639 124.797 121.223 -0.109 0.000 2.525 437 L HA 0.210 4.573 4.340 0.038 0.000 0.278 437 L C 1.703 178.475 176.870 -0.164 0.000 1.218 437 L CA 0.840 55.581 54.840 -0.164 0.000 0.878 437 L CB 0.851 42.802 42.059 -0.180 0.000 1.127 437 L HN 0.452 nan 8.230 nan 0.000 0.492 438 T N -1.166 113.252 114.554 -0.226 0.000 3.022 438 T HA 0.108 4.481 4.350 0.038 0.000 0.250 438 T C 0.291 174.934 174.700 -0.096 0.000 1.060 438 T CA -0.515 61.462 62.100 -0.205 0.000 1.013 438 T CB -0.237 68.406 68.868 -0.375 0.000 0.982 438 T HN 0.372 nan 8.240 nan 0.000 0.508 439 W N 3.536 124.788 121.300 -0.079 0.000 2.112 439 W HA 0.395 5.077 4.660 0.037 0.000 0.349 439 W C -1.992 174.380 176.519 -0.245 0.000 1.289 439 W CA -2.022 55.234 57.345 -0.148 0.000 1.256 439 W CB 0.068 29.314 29.460 -0.357 0.000 1.148 439 W HN -0.013 nan 8.180 nan 0.000 0.590 440 P HA 0.016 nan 4.420 nan 0.000 0.272 440 P C 0.552 177.721 177.300 -0.218 0.000 1.240 440 P CA -0.033 62.982 63.100 -0.142 0.000 0.791 440 P CB 0.860 32.498 31.700 -0.105 0.000 0.978 441 L N 0.390 121.562 121.223 -0.085 0.000 2.079 441 L HA -0.145 4.218 4.340 0.038 0.000 0.210 441 L C 2.537 179.391 176.870 -0.026 0.000 1.081 441 L CA 1.493 56.304 54.840 -0.048 0.000 0.752 441 L CB -0.862 41.207 42.059 0.017 0.000 0.896 441 L HN 0.610 nan 8.230 nan 0.000 0.433 442 W N -0.947 120.361 121.300 0.014 0.000 2.468 442 W HA -0.153 4.529 4.660 0.037 0.000 0.262 442 W C 1.664 178.203 176.519 0.033 0.000 1.241 442 W CA 0.490 57.848 57.345 0.022 0.000 1.232 442 W CB -0.783 28.697 29.460 0.033 0.000 1.124 442 W HN 0.207 nan 8.180 nan 0.000 0.597 443 M N 1.221 120.441 119.600 -0.632 0.000 2.558 443 M HA 0.134 4.638 4.480 0.038 0.000 0.255 443 M C 1.865 178.012 176.300 -0.256 0.000 1.113 443 M CA 1.369 56.276 55.300 -0.655 0.000 1.097 443 M CB -0.570 31.454 32.600 -0.959 0.000 1.426 443 M HN 0.181 nan 8.290 nan 0.000 0.488 444 G N 0.839 109.551 108.800 -0.145 0.000 2.596 444 G HA2 -0.295 3.689 3.960 0.038 0.000 0.304 444 G HA3 -0.295 3.689 3.960 0.038 0.000 0.304 444 G C -0.080 174.783 174.900 -0.061 0.000 1.189 444 G CA -0.029 45.036 45.100 -0.058 0.000 0.986 444 G HN 0.254 nan 8.290 nan 0.000 0.548 445 V N 3.522 123.444 119.914 0.012 0.000 2.275 445 V HA 0.496 4.639 4.120 0.038 0.000 0.272 445 V C -1.960 174.201 176.094 0.111 0.000 1.028 445 V CA -0.876 61.484 62.300 0.100 0.000 0.810 445 V CB 1.380 33.328 31.823 0.208 0.000 1.043 445 V HN 0.522 nan 8.190 nan 0.000 0.453 446 P HA 0.247 nan 4.420 nan 0.000 0.276 446 P C -0.277 177.158 177.300 0.225 0.000 1.244 446 P CA -0.399 62.695 63.100 -0.011 0.000 0.801 446 P CB 0.371 31.933 31.700 -0.229 0.000 1.006 447 H N -0.224 118.951 119.070 0.175 0.000 2.848 447 H HA 0.339 4.919 4.556 0.039 0.000 0.341 447 H C 0.961 176.301 175.328 0.019 0.000 1.060 447 H CA -0.283 55.812 56.048 0.077 0.000 1.444 447 H CB -0.216 29.496 29.762 -0.083 0.000 1.446 447 H HN 0.788 nan 8.280 nan 0.000 0.583 448 G N 2.415 111.320 108.800 0.176 0.000 2.253 448 G HA2 -0.294 3.689 3.960 0.038 0.000 0.209 448 G HA3 -0.294 3.689 3.960 0.038 0.000 0.209 448 G C 0.274 175.238 174.900 0.107 0.000 0.997 448 G CA 0.027 45.153 45.100 0.044 0.000 0.640 448 G HN 0.656 nan 8.290 nan 0.000 0.496 449 Y N 1.861 122.379 120.300 0.363 0.000 2.470 449 Y HA 0.249 4.822 4.550 0.039 0.000 0.284 449 Y C 2.335 178.413 175.900 0.295 0.000 1.188 449 Y CA 0.953 59.266 58.100 0.356 0.000 1.269 449 Y CB 0.443 39.117 38.460 0.356 0.000 1.094 449 Y HN 0.496 nan 8.280 nan 0.000 0.518 450 E N 0.147 120.392 120.200 0.074 0.000 2.340 450 E HA -0.052 4.322 4.350 0.038 0.000 0.194 450 E C 1.611 178.126 176.600 -0.143 0.000 0.996 450 E CA 0.590 56.687 56.400 -0.505 0.000 0.869 450 E CB -0.362 28.584 29.700 -1.258 0.000 0.835 450 E HN 0.538 nan 8.360 nan 0.000 0.493 451 I N 2.931 123.515 120.570 0.022 0.000 2.163 451 I HA -0.310 3.883 4.170 0.038 0.000 0.243 451 I C 2.736 178.860 176.117 0.012 0.000 1.085 451 I CA 2.148 63.486 61.300 0.064 0.000 1.347 451 I CB -0.463 37.643 38.000 0.177 0.000 1.044 451 I HN 0.220 nan 8.210 nan 0.000 0.408 452 E N 1.081 121.232 120.200 -0.081 0.000 2.160 452 E HA -0.239 4.134 4.350 0.038 0.000 0.195 452 E C 2.071 178.453 176.600 -0.363 0.000 0.991 452 E CA 1.475 57.728 56.400 -0.244 0.000 0.810 452 E CB -0.557 28.970 29.700 -0.288 0.000 0.742 452 E HN 0.439 nan 8.360 nan 0.000 0.466 453 F N 1.570 121.431 119.950 -0.149 0.000 2.128 453 F HA -0.078 4.473 4.527 0.039 0.000 0.295 453 F C 2.405 177.996 175.800 -0.350 0.000 1.100 453 F CA 0.645 58.499 58.000 -0.243 0.000 1.260 453 F CB -0.243 38.692 39.000 -0.107 0.000 1.009 453 F HN -0.037 nan 8.300 nan 0.000 0.476 454 I N -0.784 119.644 120.570 -0.237 0.000 2.264 454 I HA -0.301 3.892 4.170 0.038 0.000 0.248 454 I C 2.052 177.950 176.117 -0.365 0.000 1.111 454 I CA 1.734 62.736 61.300 -0.497 0.000 1.382 454 I CB -1.508 36.045 38.000 -0.744 0.000 1.060 454 I HN 0.097 nan 8.210 nan 0.000 0.418 455 F N 0.754 120.533 119.950 -0.285 0.000 2.789 455 F HA 0.258 4.808 4.527 0.038 0.000 0.300 455 F C 1.906 177.592 175.800 -0.190 0.000 1.132 455 F CA 0.758 58.640 58.000 -0.198 0.000 1.404 455 F CB -0.173 38.696 39.000 -0.218 0.000 1.114 455 F HN 0.284 nan 8.300 nan 0.000 0.584 456 G N 0.173 108.842 108.800 -0.218 0.000 2.136 456 G HA2 -0.274 3.709 3.960 0.038 0.000 0.242 456 G HA3 -0.274 3.709 3.960 0.038 0.000 0.242 456 G C 1.195 175.529 174.900 -0.944 0.000 0.989 456 G CA 0.354 45.194 45.100 -0.433 0.000 0.682 456 G HN 0.324 nan 8.290 nan 0.000 0.522 457 L N -0.353 120.362 121.223 -0.847 0.000 2.089 457 L HA -0.127 4.236 4.340 0.038 0.000 0.213 457 L C 0.017 176.417 176.870 -0.784 0.000 1.079 457 L CA 2.386 56.686 54.840 -0.901 0.000 0.758 457 L CB -1.592 40.209 42.059 -0.429 0.000 0.891 457 L HN 0.230 nan 8.230 nan 0.000 0.433 458 P HA -0.092 nan 4.420 nan 0.000 0.239 458 P C 1.709 178.809 177.300 -0.333 0.000 1.184 458 P CA 0.806 63.474 63.100 -0.720 0.000 0.760 458 P CB 0.061 31.244 31.700 -0.862 0.000 0.884 459 L N -1.463 119.500 121.223 -0.433 0.000 2.478 459 L HA 0.029 4.392 4.340 0.038 0.000 0.223 459 L C 0.820 177.621 176.870 -0.116 0.000 1.140 459 L CA 0.797 55.495 54.840 -0.237 0.000 0.842 459 L CB -0.577 41.360 42.059 -0.205 0.000 0.953 459 L HN 0.031 nan 8.230 nan 0.000 0.452 460 D N 1.015 121.319 120.400 -0.159 0.000 2.347 460 D HA 0.142 4.805 4.640 0.038 0.000 0.235 460 D C -1.648 174.670 176.300 0.031 0.000 1.149 460 D CA -2.112 51.902 54.000 0.022 0.000 0.850 460 D CB 1.840 42.693 40.800 0.089 0.000 1.061 460 D HN -0.095 nan 8.370 nan 0.000 0.487 461 P HA -0.110 nan 4.420 nan 0.000 0.220 461 P C 1.202 178.517 177.300 0.024 0.000 1.148 461 P CA 0.798 63.917 63.100 0.032 0.000 0.803 461 P CB 0.109 31.823 31.700 0.024 0.000 0.782 462 S N -1.025 114.688 115.700 0.021 0.000 2.555 462 S HA -0.011 4.482 4.470 0.038 0.000 0.230 462 S C 1.534 176.122 174.600 -0.019 0.000 0.978 462 S CA 0.588 58.789 58.200 0.001 0.000 0.934 462 S CB -1.329 61.872 63.200 0.003 0.000 0.766 462 S HN 0.119 nan 8.310 nan 0.000 0.533 463 L N 0.662 121.883 121.223 -0.003 0.000 2.592 463 L HA 0.268 4.631 4.340 0.038 0.000 0.227 463 L C 0.101 176.877 176.870 -0.156 0.000 1.127 463 L CA -0.220 54.583 54.840 -0.061 0.000 0.884 463 L CB -0.716 41.354 42.059 0.017 0.000 1.065 463 L HN 0.202 nan 8.230 nan 0.000 0.457 464 N N -0.851 117.811 118.700 -0.063 0.000 2.754 464 N HA -0.223 4.541 4.740 0.038 0.000 0.248 464 N C -0.598 174.853 175.510 -0.098 0.000 1.093 464 N CA 0.816 53.819 53.050 -0.079 0.000 0.699 464 N CB -1.754 36.664 38.487 -0.114 0.000 1.016 464 N HN 0.314 nan 8.380 nan 0.000 0.552 465 Y N 0.814 121.098 120.300 -0.027 0.000 2.301 465 Y HA 0.199 4.771 4.550 0.038 0.000 0.328 465 Y C 1.861 177.782 175.900 0.035 0.000 1.242 465 Y CA -0.044 58.065 58.100 0.015 0.000 1.323 465 Y CB 0.600 39.063 38.460 0.005 0.000 1.266 465 Y HN 0.098 nan 8.280 nan 0.000 0.527 466 T N -2.634 112.068 114.554 0.248 0.000 2.855 466 T HA -0.044 4.330 4.350 0.038 0.000 0.314 466 T C 1.367 176.145 174.700 0.130 0.000 1.077 466 T CA 0.037 62.226 62.100 0.149 0.000 1.095 466 T CB 1.015 69.962 68.868 0.132 0.000 0.987 466 T HN 0.877 nan 8.240 nan 0.000 0.546 467 T N -0.259 114.341 114.554 0.076 0.000 2.915 467 T HA -0.104 4.269 4.350 0.038 0.000 0.269 467 T C 1.472 176.198 174.700 0.045 0.000 1.071 467 T CA 1.512 63.644 62.100 0.052 0.000 1.132 467 T CB -0.563 68.324 68.868 0.032 0.000 0.878 467 T HN 0.772 nan 8.240 nan 0.000 0.479 468 E N 0.982 121.204 120.200 0.037 0.000 2.106 468 E HA -0.039 4.334 4.350 0.038 0.000 0.192 468 E C 2.294 178.914 176.600 0.033 0.000 0.984 468 E CA 1.212 57.615 56.400 0.006 0.000 0.806 468 E CB -0.178 29.495 29.700 -0.044 0.000 0.750 468 E HN 0.668 nan 8.360 nan 0.000 0.458 469 E N 0.376 120.634 120.200 0.097 0.000 2.153 469 E HA -0.167 4.206 4.350 0.038 0.000 0.194 469 E C 2.069 178.785 176.600 0.193 0.000 0.988 469 E CA 0.478 57.017 56.400 0.230 0.000 0.811 469 E CB 0.072 30.042 29.700 0.449 0.000 0.746 469 E HN 0.042 nan 8.360 nan 0.000 0.466 470 R N 0.811 121.363 120.500 0.087 0.000 2.073 470 R HA -0.090 4.273 4.340 0.038 0.000 0.229 470 R C 2.159 178.466 176.300 0.012 0.000 1.120 470 R CA 0.950 57.053 56.100 0.006 0.000 0.967 470 R CB -0.265 30.033 30.300 -0.002 0.000 0.862 470 R HN 0.217 nan 8.270 nan 0.000 0.436 471 I N 0.419 121.011 120.570 0.036 0.000 2.226 471 I HA -0.280 3.913 4.170 0.038 0.000 0.245 471 I C 2.267 178.422 176.117 0.063 0.000 1.100 471 I CA 0.943 62.260 61.300 0.029 0.000 1.374 471 I CB -0.393 37.623 38.000 0.026 0.000 1.057 471 I HN 0.087 nan 8.210 nan 0.000 0.413 472 F N 2.040 121.936 119.950 -0.090 0.000 2.069 472 F HA -0.275 4.276 4.527 0.040 0.000 0.298 472 F C 2.498 178.268 175.800 -0.051 0.000 1.113 472 F CA 1.435 59.367 58.000 -0.114 0.000 1.214 472 F CB -0.739 38.120 39.000 -0.236 0.000 0.978 472 F HN 0.028 nan 8.300 nan 0.000 0.474 473 A N -0.187 122.595 122.820 -0.063 0.000 1.940 473 A HA -0.263 4.080 4.320 0.038 0.000 0.219 473 A C 2.150 179.612 177.584 -0.204 0.000 1.176 473 A CA 1.900 53.837 52.037 -0.166 0.000 0.631 473 A CB -0.938 17.988 19.000 -0.124 0.000 0.814 473 A HN 0.617 nan 8.150 nan 0.000 0.446 474 Q N -0.792 118.925 119.800 -0.139 0.000 2.124 474 Q HA -0.175 4.188 4.340 0.038 0.000 0.202 474 Q C 2.361 178.254 176.000 -0.178 0.000 0.977 474 Q CA 1.595 57.321 55.803 -0.129 0.000 0.850 474 Q CB -0.161 28.529 28.738 -0.080 0.000 0.901 474 Q HN 0.646 nan 8.270 nan 0.000 0.429 475 R N 0.164 120.534 120.500 -0.216 0.000 2.073 475 R HA -0.115 4.248 4.340 0.038 0.000 0.234 475 R C 2.302 178.299 176.300 -0.505 0.000 1.134 475 R CA 1.188 57.070 56.100 -0.363 0.000 0.952 475 R CB -0.348 29.793 30.300 -0.265 0.000 0.850 475 R HN 0.240 nan 8.270 nan 0.000 0.433 476 L N 0.120 121.131 121.223 -0.354 0.000 2.056 476 L HA -0.150 4.213 4.340 0.038 0.000 0.207 476 L C 2.533 179.359 176.870 -0.074 0.000 1.078 476 L CA 1.313 56.052 54.840 -0.168 0.000 0.749 476 L CB -0.377 41.446 42.059 -0.394 0.000 0.901 476 L HN 0.205 nan 8.230 nan 0.000 0.433 477 M N -0.774 118.725 119.600 -0.168 0.000 2.213 477 M HA -0.187 4.316 4.480 0.038 0.000 0.263 477 M C 2.291 178.582 176.300 -0.014 0.000 1.062 477 M CA 1.466 56.703 55.300 -0.105 0.000 1.105 477 M CB -0.318 32.209 32.600 -0.122 0.000 1.385 477 M HN 0.068 nan 8.290 nan 0.000 0.417 478 K N -0.070 120.285 120.400 -0.074 0.000 2.025 478 K HA -0.131 4.213 4.320 0.038 0.000 0.207 478 K C 1.916 178.565 176.600 0.082 0.000 1.049 478 K CA 1.696 57.952 56.287 -0.052 0.000 0.933 478 K CB -0.352 32.052 32.500 -0.160 0.000 0.714 478 K HN 0.314 nan 8.250 nan 0.000 0.438 479 Y N -0.270 120.148 120.300 0.196 0.000 2.114 479 Y HA -0.223 4.350 4.550 0.038 0.000 0.284 479 Y C 2.462 178.472 175.900 0.185 0.000 1.143 479 Y CA 0.759 58.995 58.100 0.226 0.000 1.135 479 Y CB -0.869 37.856 38.460 0.441 0.000 0.980 479 Y HN 0.218 nan 8.280 nan 0.000 0.499 480 W N 0.617 121.986 121.300 0.115 0.000 2.355 480 W HA -0.237 4.445 4.660 0.038 0.000 0.309 480 W C 2.494 179.010 176.519 -0.005 0.000 1.206 480 W CA 2.314 59.661 57.345 0.003 0.000 1.284 480 W CB -0.674 28.716 29.460 -0.117 0.000 1.145 480 W HN 0.238 nan 8.180 nan 0.000 0.502 481 T N -2.309 112.347 114.554 0.170 0.000 2.942 481 T HA -0.120 4.253 4.350 0.038 0.000 0.265 481 T C 1.424 176.149 174.700 0.042 0.000 1.062 481 T CA 1.086 63.221 62.100 0.058 0.000 1.139 481 T CB -0.573 68.307 68.868 0.020 0.000 0.883 481 T HN -0.073 nan 8.240 nan 0.000 0.468 482 N N 1.019 119.761 118.700 0.070 0.000 2.120 482 N HA -0.021 4.742 4.740 0.038 0.000 0.188 482 N C 1.374 176.881 175.510 -0.005 0.000 1.024 482 N CA 1.066 54.137 53.050 0.035 0.000 0.852 482 N CB -0.666 37.861 38.487 0.066 0.000 1.003 482 N HN 0.491 nan 8.380 nan 0.000 0.424 483 F N 1.588 121.447 119.950 -0.152 0.000 2.171 483 F HA -0.075 4.475 4.527 0.039 0.000 0.300 483 F C 2.148 177.861 175.800 -0.144 0.000 1.090 483 F CA 1.266 59.127 58.000 -0.231 0.000 1.293 483 F CB -0.263 38.509 39.000 -0.380 0.000 1.013 483 F HN 0.028 nan 8.300 nan 0.000 0.486 484 A N 0.431 123.187 122.820 -0.106 0.000 1.930 484 A HA -0.119 4.224 4.320 0.038 0.000 0.217 484 A C 2.333 179.809 177.584 -0.180 0.000 1.175 484 A CA 1.374 53.319 52.037 -0.154 0.000 0.627 484 A CB -0.648 18.324 19.000 -0.047 0.000 0.815 484 A HN 0.416 nan 8.150 nan 0.000 0.443 485 R N -0.965 119.459 120.500 -0.127 0.000 2.096 485 R HA -0.094 4.269 4.340 0.038 0.000 0.235 485 R C 1.786 177.998 176.300 -0.147 0.000 1.127 485 R CA 1.889 57.925 56.100 -0.107 0.000 0.968 485 R CB -0.159 30.104 30.300 -0.063 0.000 0.861 485 R HN 0.725 nan 8.270 nan 0.000 0.440 486 T N -6.199 108.237 114.554 -0.196 0.000 3.080 486 T HA 0.238 4.611 4.350 0.038 0.000 0.280 486 T C 1.084 175.647 174.700 -0.229 0.000 0.926 486 T CA 0.356 62.355 62.100 -0.167 0.000 0.883 486 T CB 1.355 70.162 68.868 -0.102 0.000 1.194 486 T HN 0.313 nan 8.240 nan 0.000 0.541 487 G N 1.332 109.859 108.800 -0.456 0.000 2.159 487 G HA2 -0.176 3.807 3.960 0.038 0.000 0.256 487 G HA3 -0.176 3.807 3.960 0.038 0.000 0.256 487 G C -0.335 174.436 174.900 -0.216 0.000 0.977 487 G CA 0.261 45.023 45.100 -0.564 0.000 0.652 487 G HN 0.833 nan 8.290 nan 0.000 0.531 488 D N -0.622 119.672 120.400 -0.177 0.000 2.736 488 D HA 0.474 5.137 4.640 0.038 0.000 0.243 488 D C -1.468 174.681 176.300 -0.252 0.000 1.304 488 D CA -1.711 52.171 54.000 -0.196 0.000 0.934 488 D CB 2.065 42.835 40.800 -0.049 0.000 1.382 488 D HN -0.005 nan 8.370 nan 0.000 0.571 489 P HA -0.009 nan 4.420 nan 0.000 0.237 489 P C -0.314 176.982 177.300 -0.006 0.000 1.178 489 P CA 0.144 63.061 63.100 -0.304 0.000 0.766 489 P CB 0.192 31.404 31.700 -0.813 0.000 0.876 490 N N 1.017 119.688 118.700 -0.048 0.000 2.520 490 N HA 0.091 4.854 4.740 0.038 0.000 0.273 490 N C -0.013 175.567 175.510 0.117 0.000 1.155 490 N CA -0.129 52.994 53.050 0.121 0.000 0.967 490 N CB 0.038 38.588 38.487 0.105 0.000 1.092 490 N HN -0.107 nan 8.380 nan 0.000 0.457 491 D N 1.784 122.275 120.400 0.151 0.000 2.401 491 D HA 0.128 4.791 4.640 0.038 0.000 0.254 491 D C -1.822 174.519 176.300 0.068 0.000 1.192 491 D CA -1.087 52.969 54.000 0.093 0.000 0.885 491 D CB 0.346 41.197 40.800 0.084 0.000 1.147 491 D HN 0.313 nan 8.370 nan 0.000 0.478 499 Q N -0.085 119.794 119.800 0.130 0.000 2.340 499 Q HA 0.178 4.542 4.340 0.038 0.000 0.249 499 Q C -0.805 175.343 176.000 0.248 0.000 0.957 499 Q CA 0.105 56.019 55.803 0.184 0.000 0.882 499 Q CB 0.941 29.777 28.738 0.162 0.000 1.235 499 Q HN 0.499 nan 8.270 nan 0.000 0.439 500 W N 5.669 127.014 121.300 0.075 0.000 2.387 500 W HA 0.287 4.971 4.660 0.041 0.000 0.310 500 W C -2.447 174.203 176.519 0.219 0.000 1.181 500 W CA -2.476 54.924 57.345 0.091 0.000 1.333 500 W CB 0.201 29.646 29.460 -0.025 0.000 1.286 500 W HN 0.377 nan 8.180 nan 0.000 0.455 501 P HA 0.289 nan 4.420 nan 0.000 0.281 501 P C -2.572 174.956 177.300 0.380 0.000 1.249 501 P CA -1.772 61.560 63.100 0.386 0.000 0.810 501 P CB 0.465 32.300 31.700 0.226 0.000 1.008 502 P HA 0.015 nan 4.420 nan 0.000 0.266 502 P C -0.720 176.581 177.300 0.001 0.000 1.195 502 P CA 0.173 63.086 63.100 -0.312 0.000 0.768 502 P CB 0.046 31.563 31.700 -0.305 0.000 0.838 503 Y N 3.049 123.302 120.300 -0.078 0.000 2.359 503 Y HA 0.373 4.946 4.550 0.038 0.000 0.330 503 Y C 0.432 176.329 175.900 -0.006 0.000 1.143 503 Y CA 0.582 58.706 58.100 0.041 0.000 1.318 503 Y CB 0.436 38.946 38.460 0.084 0.000 1.234 503 Y HN 0.444 nan 8.280 nan 0.000 0.522 504 T N 0.018 114.292 114.554 -0.468 0.000 2.883 504 T HA 0.269 4.642 4.350 0.038 0.000 0.296 504 T C 0.783 175.229 174.700 -0.424 0.000 1.117 504 T CA -0.205 61.726 62.100 -0.281 0.000 1.006 504 T CB 1.218 69.998 68.868 -0.147 0.000 1.191 504 T HN 0.638 nan 8.240 nan 0.000 0.508 505 T N -0.982 113.476 114.554 -0.160 0.000 2.857 505 T HA 0.095 4.468 4.350 0.038 0.000 0.266 505 T C 2.285 176.929 174.700 -0.093 0.000 1.048 505 T CA 0.889 62.933 62.100 -0.092 0.000 1.139 505 T CB -0.849 68.026 68.868 0.011 0.000 0.874 505 T HN 0.874 nan 8.240 nan 0.000 0.455 506 A N 2.159 124.931 122.820 -0.080 0.000 1.841 506 A HA 0.332 4.675 4.320 0.038 0.000 0.216 506 A C 2.736 180.279 177.584 -0.069 0.000 1.199 506 A CA 2.067 54.072 52.037 -0.053 0.000 0.621 506 A CB -1.365 17.613 19.000 -0.037 0.000 0.835 506 A HN 0.756 nan 8.150 nan 0.000 0.445 507 A N -2.974 119.783 122.820 -0.105 0.000 2.044 507 A HA 0.264 4.607 4.320 0.038 0.000 0.213 507 A C 1.092 178.610 177.584 -0.110 0.000 1.169 507 A CA 1.028 53.017 52.037 -0.079 0.000 0.724 507 A CB -0.188 18.779 19.000 -0.054 0.000 0.840 507 A HN 0.578 nan 8.150 nan 0.000 0.463 508 Q N -0.833 118.789 119.800 -0.297 0.000 2.494 508 Q HA -0.217 4.146 4.340 0.038 0.000 0.266 508 Q C -0.685 175.315 176.000 0.000 0.000 1.053 508 Q CA 0.685 56.250 55.803 -0.397 0.000 1.029 508 Q CB -1.791 26.904 28.738 -0.072 0.000 1.423 508 Q HN 0.851 nan 8.270 nan 0.000 0.516 509 Q N 0.440 120.247 119.800 0.010 0.000 2.313 509 Q HA 0.359 4.722 4.340 0.038 0.000 0.266 509 Q C -0.297 175.983 176.000 0.468 0.000 0.989 509 Q CA 0.306 56.220 55.803 0.186 0.000 0.890 509 Q CB 0.386 29.185 28.738 0.102 0.000 1.200 509 Q HN 0.314 nan 8.270 nan 0.000 0.396 510 Y N -0.919 119.524 120.300 0.238 0.000 2.705 510 Y HA 0.787 5.359 4.550 0.037 0.000 0.332 510 Y C -0.942 174.968 175.900 0.015 0.000 1.157 510 Y CA -1.595 56.642 58.100 0.228 0.000 1.091 510 Y CB 0.550 39.148 38.460 0.231 0.000 1.301 510 Y HN 0.321 nan 8.280 nan 0.000 0.488 511 V N -0.780 119.039 119.914 -0.158 0.000 2.914 511 V HA 0.815 4.958 4.120 0.038 0.000 0.314 511 V C -0.472 175.514 176.094 -0.180 0.000 1.084 511 V CA -0.681 61.368 62.300 -0.417 0.000 0.963 511 V CB 1.319 32.626 31.823 -0.861 0.000 1.025 511 V HN 1.191 nan 8.190 nan 0.000 0.432 512 S N 4.039 119.646 115.700 -0.155 0.000 2.475 512 S HA 0.719 5.212 4.470 0.038 0.000 0.281 512 S C -0.474 174.103 174.600 -0.038 0.000 1.198 512 S CA -0.641 57.550 58.200 -0.015 0.000 1.063 512 S CB 0.602 63.785 63.200 -0.028 0.000 0.972 512 S HN 0.774 nan 8.310 nan 0.000 0.486 513 L N 4.280 125.536 121.223 0.055 0.000 2.265 513 L HA 0.551 4.914 4.340 0.038 0.000 0.289 513 L C -0.089 176.744 176.870 -0.061 0.000 1.033 513 L CA -0.356 54.552 54.840 0.113 0.000 0.814 513 L CB 0.273 42.497 42.059 0.274 0.000 1.203 513 L HN 0.982 nan 8.230 nan 0.000 0.423 514 N N 2.221 120.821 118.700 -0.166 0.000 3.441 514 N HA 0.246 5.009 4.740 0.038 0.000 0.313 514 N C 0.035 175.043 175.510 -0.837 0.000 1.526 514 N CA -0.913 51.741 53.050 -0.660 0.000 0.871 514 N CB 0.487 38.748 38.487 -0.377 0.000 1.779 514 N HN 0.214 nan 8.380 nan 0.000 0.529 515 L N -0.589 120.146 121.223 -0.813 0.000 2.156 515 L HA 0.121 4.484 4.340 0.038 0.000 0.208 515 L C 0.715 177.411 176.870 -0.289 0.000 1.095 515 L CA 0.849 55.300 54.840 -0.648 0.000 0.770 515 L CB -0.466 41.281 42.059 -0.520 0.000 0.914 515 L HN 0.382 nan 8.230 nan 0.000 0.439 516 K N 0.591 120.863 120.400 -0.214 0.000 2.276 516 K HA 0.139 4.482 4.320 0.038 0.000 0.259 516 K C -2.125 174.440 176.600 -0.059 0.000 1.001 516 K CA -1.673 54.548 56.287 -0.110 0.000 0.927 516 K CB -0.175 32.270 32.500 -0.092 0.000 0.969 516 K HN -0.156 nan 8.250 nan 0.000 0.490 517 P HA -0.040 nan 4.420 nan 0.000 0.268 517 P C -0.195 177.114 177.300 0.015 0.000 1.208 517 P CA -0.144 62.970 63.100 0.023 0.000 0.777 517 P CB 0.382 32.095 31.700 0.022 0.000 0.875 518 L N 1.511 122.763 121.223 0.049 0.000 2.720 518 L HA -0.132 4.231 4.340 0.038 0.000 0.289 518 L C 1.095 177.932 176.870 -0.055 0.000 1.232 518 L CA 1.045 55.873 54.840 -0.020 0.000 0.915 518 L CB -0.295 41.755 42.059 -0.015 0.000 1.184 518 L HN 0.544 nan 8.230 nan 0.000 0.491 519 E N 3.483 123.622 120.200 -0.103 0.000 2.187 519 E HA 0.403 4.776 4.350 0.038 0.000 0.268 519 E C -1.323 175.174 176.600 -0.171 0.000 0.896 519 E CA -0.813 55.524 56.400 -0.106 0.000 0.766 519 E CB 1.957 31.603 29.700 -0.089 0.000 1.142 519 E HN 0.307 nan 8.360 nan 0.000 0.408 520 V N 5.174 125.001 119.914 -0.145 0.000 2.432 520 V HA 0.394 4.537 4.120 0.038 0.000 0.275 520 V C 0.275 176.228 176.094 -0.236 0.000 1.043 520 V CA -0.232 61.958 62.300 -0.184 0.000 0.925 520 V CB 0.933 32.708 31.823 -0.080 0.000 0.985 520 V HN 0.696 nan 8.190 nan 0.000 0.466 521 R N 4.047 124.280 120.500 -0.446 0.000 2.892 521 R HA 0.751 5.114 4.340 0.038 0.000 0.265 521 R C -0.848 175.248 176.300 -0.339 0.000 1.025 521 R CA -1.041 54.779 56.100 -0.465 0.000 0.982 521 R CB 2.456 32.316 30.300 -0.733 0.000 1.185 521 R HN 0.586 nan 8.270 nan 0.000 0.484 522 R N -0.005 120.474 120.500 -0.035 0.000 2.534 522 R HA 0.509 4.872 4.340 0.038 0.000 0.301 522 R C -0.808 175.685 176.300 0.321 0.000 0.961 522 R CA -0.558 55.633 56.100 0.151 0.000 0.871 522 R CB 2.219 32.563 30.300 0.074 0.000 1.170 522 R HN 0.898 nan 8.270 nan 0.000 0.446 523 G N 2.252 111.303 108.800 0.419 0.000 3.439 523 G HA2 -0.195 3.788 3.960 0.038 0.000 0.684 523 G HA3 -0.195 3.788 3.960 0.038 0.000 0.684 523 G C -1.246 173.843 174.900 0.315 0.000 1.005 523 G CA -0.964 44.323 45.100 0.313 0.000 0.837 523 G HN 0.403 nan 8.290 nan 0.000 0.470 524 L N 4.082 125.377 121.223 0.121 0.000 2.315 524 L HA 0.575 4.938 4.340 0.038 0.000 0.278 524 L C 1.528 178.411 176.870 0.021 0.000 1.088 524 L CA -0.444 54.305 54.840 -0.152 0.000 0.899 524 L CB 0.004 41.894 42.059 -0.282 0.000 1.277 524 L HN 0.688 nan 8.230 nan 0.000 0.431 525 R N 2.654 123.206 120.500 0.088 0.000 3.322 525 R HA -0.280 4.083 4.340 0.038 0.000 0.253 525 R C 1.258 177.660 176.300 0.170 0.000 0.987 525 R CA 0.687 56.876 56.100 0.150 0.000 0.666 525 R CB -2.076 28.327 30.300 0.171 0.000 1.072 525 R HN 0.773 nan 8.270 nan 0.000 0.447 526 A N 0.649 123.564 122.820 0.159 0.000 1.865 526 A HA -0.241 4.102 4.320 0.038 0.000 0.217 526 A C 2.074 179.756 177.584 0.163 0.000 1.191 526 A CA 1.259 53.390 52.037 0.157 0.000 0.623 526 A CB -0.124 18.963 19.000 0.144 0.000 0.826 526 A HN 0.396 nan 8.150 nan 0.000 0.444 527 Q N -0.616 119.277 119.800 0.155 0.000 2.050 527 Q HA -0.134 4.230 4.340 0.038 0.000 0.202 527 Q C 2.259 178.378 176.000 0.199 0.000 0.980 527 Q CA 2.163 58.059 55.803 0.155 0.000 0.840 527 Q CB -1.226 27.591 28.738 0.133 0.000 0.898 527 Q HN 0.651 nan 8.270 nan 0.000 0.424 528 T N 0.438 115.136 114.554 0.240 0.000 2.821 528 T HA -0.109 4.264 4.350 0.038 0.000 0.267 528 T C 1.989 176.931 174.700 0.403 0.000 1.046 528 T CA 1.126 63.403 62.100 0.294 0.000 1.139 528 T CB -0.220 68.870 68.868 0.371 0.000 0.871 528 T HN 0.324 nan 8.240 nan 0.000 0.454 529 c N 1.485 120.300 118.600 0.358 0.000 2.448 529 c HA 0.288 4.881 4.570 0.038 0.000 0.280 529 c C 3.083 177.350 174.090 0.294 0.000 1.398 529 c CA -0.038 56.515 56.329 0.374 0.000 1.774 529 c CB -1.328 41.332 42.510 0.250 0.000 1.888 529 c HN 0.632 nan 8.230 nan 0.000 0.519 530 A N 0.059 123.017 122.820 0.229 0.000 1.969 530 A HA -0.152 4.191 4.320 0.038 0.000 0.218 530 A C 1.829 179.522 177.584 0.181 0.000 1.169 530 A CA 1.351 53.496 52.037 0.180 0.000 0.635 530 A CB -0.687 18.402 19.000 0.149 0.000 0.810 530 A HN 0.553 nan 8.150 nan 0.000 0.445 531 F N -0.738 119.215 119.950 0.005 0.000 2.084 531 F HA -0.133 4.419 4.527 0.042 0.000 0.296 531 F C 1.910 177.668 175.800 -0.071 0.000 1.111 531 F CA 1.610 59.524 58.000 -0.143 0.000 1.224 531 F CB -0.597 38.059 39.000 -0.573 0.000 0.991 531 F HN 0.363 nan 8.300 nan 0.000 0.471 532 W N 0.748 122.013 121.300 -0.060 0.000 2.381 532 W HA -0.137 4.545 4.660 0.037 0.000 0.301 532 W C 2.240 178.721 176.519 -0.064 0.000 1.205 532 W CA 1.150 58.435 57.345 -0.100 0.000 1.285 532 W CB -0.665 28.871 29.460 0.126 0.000 1.133 532 W HN -0.025 nan 8.180 nan 0.000 0.521 533 N N -0.359 118.479 118.700 0.231 0.000 2.395 533 N HA 0.018 4.781 4.740 0.038 0.000 0.175 533 N C 1.529 177.085 175.510 0.077 0.000 1.029 533 N CA 0.953 54.089 53.050 0.144 0.000 0.897 533 N CB -0.247 38.324 38.487 0.140 0.000 0.991 533 N HN 0.241 nan 8.380 nan 0.000 0.441 534 R N -1.294 119.251 120.500 0.076 0.000 2.164 534 R HA 0.219 4.582 4.340 0.038 0.000 0.198 534 R C 1.445 177.772 176.300 0.045 0.000 1.028 534 R CA 0.121 56.261 56.100 0.065 0.000 1.083 534 R CB -0.100 30.259 30.300 0.099 0.000 1.026 534 R HN 0.069 nan 8.270 nan 0.000 0.514 535 F N 1.362 121.231 119.950 -0.136 0.000 2.164 535 F HA 0.116 4.667 4.527 0.040 0.000 0.287 535 F C 1.880 177.528 175.800 -0.254 0.000 1.086 535 F CA 0.844 58.739 58.000 -0.176 0.000 1.249 535 F CB -0.275 38.631 39.000 -0.156 0.000 1.059 535 F HN -0.173 nan 8.300 nan 0.000 0.490 536 L N 0.721 121.641 121.223 -0.505 0.000 2.010 536 L HA -0.259 4.104 4.340 0.038 0.000 0.219 536 L C -0.341 176.306 176.870 -0.372 0.000 1.077 536 L CA 2.243 56.766 54.840 -0.528 0.000 0.773 536 L CB -2.125 39.657 42.059 -0.462 0.000 0.892 536 L HN 0.158 nan 8.230 nan 0.000 0.436 537 P HA -0.240 nan 4.420 nan 0.000 0.216 537 P C 1.316 178.486 177.300 -0.216 0.000 1.167 537 P CA 1.684 64.689 63.100 -0.158 0.000 0.914 537 P CB -0.058 31.585 31.700 -0.095 0.000 0.793 538 K N -1.606 118.620 120.400 -0.290 0.000 2.211 538 K HA -0.105 4.238 4.320 0.038 0.000 0.204 538 K C 1.163 177.559 176.600 -0.340 0.000 1.047 538 K CA 0.415 56.531 56.287 -0.284 0.000 0.935 538 K CB -0.597 31.731 32.500 -0.287 0.000 0.728 538 K HN 0.091 nan 8.250 nan 0.000 0.452 539 L N 0.000 120.930 121.223 -0.488 0.000 2.949 539 L HA 0.000 4.363 4.340 0.038 0.000 0.249 539 L CA 0.000 54.599 54.840 -0.402 0.000 0.813 539 L CB 0.000 41.737 42.059 -0.537 0.000 0.961 539 L HN 0.000 nan 8.230 nan 0.000 0.502