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 2jgf_1_B DATA FIRST_RESID 4 DATA SEQUENCE EDPQLLVRVR GGQLRGIRLK APGGPVSAFL GIPFAEPPVG SRRFMPPEPK DATA SEQUENCE RPWSGVLDAT TFQNVcYQYV DTLYPGFEGT EMWNPNRELS EDcLYLNVWT DATA SEQUENCE PYPRPASPTP VLIWIYGGGF YSGAASLDVY DGRFLAQVEG AVLVSMNYRV DATA SEQUENCE GTFGFLALPG SREAPGNVGL LDQRLALQWV QENIAAFGGD PMSVTLFGEX DATA SEQUENCE AGAASVGMHI LSLPSRSLFH RAVLQSGTPN GPWATVSAGE ARRRATLLAR DATA SEQUENCE LVGcXXXXXX XNDTELIAcL RTRPAQDLVD HEWHVLPQES IFRFSFVPVV DATA SEQUENCE DGDFLSDTPE ALINTGDFQD LQVLVGVVKD EGSYFLVYGV PGFSKDNESL DATA SEQUENCE ISRAQFLAGV RIGVPQASDL AAEAVVLHYT DWLHPEDPTH LRDAMSAVVG DATA SEQUENCE DHNVVcPVAQ LAGRLAAQGA RVYAYIFEHR ASTLTWPLWM GVPHGYEIEF DATA SEQUENCE IFGLPLDPSL NYTTEERIFA QRLMKYWTNF ARTGDPNDPR DSKSPQWPPY DATA SEQUENCE TTAAQQYVSL NLKPLEVRRG LRAQTcAFWN RFLPKLLSAT A VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 E HA 0.000 nan 4.350 nan 0.000 0.291 4 E C 0.000 176.623 176.600 0.038 0.000 1.382 4 E CA 0.000 56.418 56.400 0.029 0.000 0.976 4 E CB 0.000 29.716 29.700 0.027 0.000 0.812 5 D N 4.712 125.142 120.400 0.050 0.000 2.412 5 D HA 0.038 4.705 4.640 0.046 0.000 0.257 5 D C -1.316 175.021 176.300 0.061 0.000 1.217 5 D CA -1.540 52.502 54.000 0.070 0.000 0.897 5 D CB 1.322 42.188 40.800 0.110 0.000 1.132 5 D HN 0.250 nan 8.370 nan 0.000 0.493 6 P HA -0.073 nan 4.420 nan 0.000 0.233 6 P C 0.948 178.258 177.300 0.017 0.000 1.167 6 P CA 0.488 63.603 63.100 0.026 0.000 0.770 6 P CB 0.554 32.260 31.700 0.010 0.000 0.837 7 Q N -0.332 119.469 119.800 0.002 0.000 2.311 7 Q HA 0.104 4.471 4.340 0.046 0.000 0.203 7 Q C 1.851 177.906 176.000 0.092 0.000 0.954 7 Q CA 0.801 56.581 55.803 -0.039 0.000 0.885 7 Q CB -0.131 28.446 28.738 -0.269 0.000 0.963 7 Q HN 0.404 nan 8.270 nan 0.000 0.471 8 L N 0.504 121.802 121.223 0.125 0.000 2.653 8 L HA 0.162 4.529 4.340 0.046 0.000 0.231 8 L C 0.023 177.051 176.870 0.265 0.000 1.153 8 L CA -0.214 54.726 54.840 0.167 0.000 0.933 8 L CB 0.320 42.420 42.059 0.068 0.000 1.175 8 L HN 0.010 nan 8.230 nan 0.000 0.473 9 L N 0.593 121.934 121.223 0.196 0.000 2.349 9 L HA 0.625 4.992 4.340 0.046 0.000 0.278 9 L C -0.748 176.153 176.870 0.051 0.000 0.996 9 L CA -0.384 54.542 54.840 0.143 0.000 0.825 9 L CB 1.738 43.847 42.059 0.082 0.000 1.243 9 L HN -0.299 nan 8.230 nan 0.000 0.412 10 V N 4.799 124.707 119.914 -0.009 0.000 2.876 10 V HA 0.603 4.750 4.120 0.046 0.000 0.312 10 V C -0.539 175.470 176.094 -0.142 0.000 1.085 10 V CA -0.827 61.330 62.300 -0.239 0.000 0.945 10 V CB 2.204 33.584 31.823 -0.739 0.000 1.017 10 V HN 0.741 nan 8.190 nan 0.000 0.428 11 R N 2.653 123.050 120.500 -0.171 0.000 2.310 11 R HA 0.730 5.098 4.340 0.046 0.000 0.324 11 R C -0.771 175.454 176.300 -0.126 0.000 0.955 11 R CA -0.336 55.706 56.100 -0.096 0.000 0.830 11 R CB 1.533 31.784 30.300 -0.083 0.000 1.154 11 R HN 0.731 nan 8.270 nan 0.000 0.458 12 V N 1.697 121.592 119.914 -0.033 0.000 3.096 12 V HA 0.440 4.588 4.120 0.046 0.000 0.319 12 V C 1.313 177.351 176.094 -0.094 0.000 1.082 12 V CA -0.845 61.442 62.300 -0.021 0.000 1.022 12 V CB 1.693 33.658 31.823 0.236 0.000 1.103 12 V HN 0.844 nan 8.190 nan 0.000 0.455 13 R N 1.328 121.759 120.500 -0.115 0.000 2.154 13 R HA -0.109 4.258 4.340 0.046 0.000 0.248 13 R C 1.975 178.135 176.300 -0.233 0.000 1.155 13 R CA 1.874 57.890 56.100 -0.140 0.000 0.979 13 R CB -0.660 29.578 30.300 -0.103 0.000 0.869 13 R HN 0.996 nan 8.270 nan 0.000 0.452 14 G N -0.894 107.691 108.800 -0.358 0.000 2.777 14 G HA2 0.322 4.309 3.960 0.046 0.000 0.211 14 G HA3 0.322 4.309 3.960 0.046 0.000 0.211 14 G C 0.411 174.349 174.900 -1.603 0.000 1.149 14 G CA 0.489 45.052 45.100 -0.895 0.000 0.785 14 G HN 0.586 nan 8.290 nan 0.000 0.536 15 G N -0.968 107.244 108.800 -0.979 0.000 2.320 15 G HA2 0.135 4.122 3.960 0.046 0.000 0.274 15 G HA3 0.135 4.122 3.960 0.046 0.000 0.274 15 G C -1.220 173.688 174.900 0.013 0.000 1.324 15 G CA -0.946 43.765 45.100 -0.649 0.000 0.957 15 G HN 0.290 nan 8.290 nan 0.000 0.481 16 Q N -0.429 119.530 119.800 0.264 0.000 2.230 16 Q HA 0.732 5.099 4.340 0.046 0.000 0.248 16 Q C -0.517 175.763 176.000 0.467 0.000 0.915 16 Q CA -0.311 55.668 55.803 0.294 0.000 0.900 16 Q CB 1.925 30.770 28.738 0.179 0.000 1.229 16 Q HN 0.471 nan 8.270 nan 0.000 0.439 17 L N 1.054 122.462 121.223 0.309 0.000 2.371 17 L HA 0.647 5.014 4.340 0.046 0.000 0.262 17 L C -0.565 176.456 176.870 0.252 0.000 1.006 17 L CA -0.872 54.140 54.840 0.287 0.000 0.818 17 L CB 2.288 44.554 42.059 0.345 0.000 1.354 17 L HN 0.484 nan 8.230 nan 0.000 0.415 18 R N 0.641 121.273 120.500 0.220 0.000 2.451 18 R HA 0.644 5.012 4.340 0.046 0.000 0.307 18 R C -0.415 175.968 176.300 0.139 0.000 0.965 18 R CA -0.349 55.863 56.100 0.186 0.000 0.865 18 R CB 1.778 32.136 30.300 0.096 0.000 1.174 18 R HN 0.822 nan 8.270 nan 0.000 0.455 19 G N 3.372 112.225 108.800 0.089 0.000 2.510 19 G HA2 0.412 4.399 3.960 0.046 0.000 0.280 19 G HA3 0.412 4.399 3.960 0.046 0.000 0.280 19 G C -0.797 173.958 174.900 -0.241 0.000 1.386 19 G CA -0.707 44.220 45.100 -0.289 0.000 1.047 19 G HN 0.594 nan 8.290 nan 0.000 0.527 20 I N -1.301 119.072 120.570 -0.328 0.000 2.785 20 I HA 0.564 4.761 4.170 0.046 0.000 0.302 20 I C -0.098 175.900 176.117 -0.200 0.000 1.069 20 I CA -1.274 59.899 61.300 -0.211 0.000 1.045 20 I CB 2.180 40.060 38.000 -0.201 0.000 1.236 20 I HN 0.445 nan 8.210 nan 0.000 0.429 21 R N 7.302 127.726 120.500 -0.127 0.000 2.202 21 R HA 0.538 4.906 4.340 0.046 0.000 0.334 21 R C -1.709 174.504 176.300 -0.146 0.000 1.036 21 R CA -0.430 55.591 56.100 -0.130 0.000 0.878 21 R CB 0.593 30.773 30.300 -0.200 0.000 1.067 21 R HN 0.659 nan 8.270 nan 0.000 0.457 22 L N 3.577 124.731 121.223 -0.116 0.000 2.344 22 L HA 0.449 4.817 4.340 0.046 0.000 0.272 22 L C 0.085 176.894 176.870 -0.102 0.000 1.035 22 L CA -0.837 53.947 54.840 -0.093 0.000 0.807 22 L CB 1.671 43.706 42.059 -0.041 0.000 1.237 22 L HN 0.525 nan 8.230 nan 0.000 0.442 23 K N 1.863 122.206 120.400 -0.095 0.000 2.234 23 K HA 0.643 4.991 4.320 0.046 0.000 0.277 23 K C -0.881 175.666 176.600 -0.088 0.000 1.038 23 K CA -0.355 55.879 56.287 -0.088 0.000 0.888 23 K CB 1.409 33.866 32.500 -0.071 0.000 1.091 23 K HN 0.715 nan 8.250 nan 0.000 0.467 24 A N 5.282 128.054 122.820 -0.079 0.000 2.311 24 A HA 0.472 4.820 4.320 0.046 0.000 0.334 24 A C -2.022 175.576 177.584 0.022 0.000 1.139 24 A CA -1.761 50.233 52.037 -0.072 0.000 0.830 24 A CB 0.748 19.686 19.000 -0.103 0.000 1.234 24 A HN 0.610 nan 8.150 nan 0.000 0.483 25 P HA -0.154 nan 4.420 nan 0.000 0.216 25 P C 1.183 178.516 177.300 0.055 0.000 1.154 25 P CA 2.223 65.378 63.100 0.091 0.000 0.865 25 P CB 0.224 32.002 31.700 0.131 0.000 0.789 26 G N -2.379 106.457 108.800 0.060 0.000 3.337 26 G HA2 0.491 4.479 3.960 0.046 0.000 0.246 26 G HA3 0.491 4.479 3.960 0.046 0.000 0.246 26 G C 0.382 175.302 174.900 0.033 0.000 1.131 26 G CA 0.344 45.471 45.100 0.043 0.000 0.773 26 G HN 0.603 nan 8.290 nan 0.000 0.544 27 G N -0.214 108.598 108.800 0.020 0.000 2.369 27 G HA2 0.312 4.299 3.960 0.046 0.000 0.307 27 G HA3 0.312 4.299 3.960 0.046 0.000 0.307 27 G C -3.376 171.513 174.900 -0.019 0.000 1.327 27 G CA -0.778 44.325 45.100 0.005 0.000 0.963 27 G HN 0.065 nan 8.290 nan 0.000 0.590 28 P HA 0.511 nan 4.420 nan 0.000 0.274 28 P C -0.061 177.249 177.300 0.016 0.000 1.231 28 P CA -0.184 62.833 63.100 -0.138 0.000 0.790 28 P CB 1.644 33.076 31.700 -0.446 0.000 0.951 29 V N -1.135 118.796 119.914 0.029 0.000 2.789 29 V HA 0.566 4.713 4.120 0.046 0.000 0.311 29 V C -0.428 175.772 176.094 0.177 0.000 1.073 29 V CA -0.812 61.588 62.300 0.168 0.000 0.921 29 V CB 1.858 33.775 31.823 0.156 0.000 1.009 29 V HN 0.428 nan 8.190 nan 0.000 0.426 30 S N 3.310 119.162 115.700 0.253 0.000 2.465 30 S HA 0.783 5.281 4.470 0.046 0.000 0.279 30 S C 0.199 174.714 174.600 -0.142 0.000 1.201 30 S CA 0.100 58.342 58.200 0.069 0.000 1.053 30 S CB 0.990 64.284 63.200 0.157 0.000 0.953 30 S HN 1.581 nan 8.310 nan 0.000 0.488 31 A N 3.203 125.764 122.820 -0.432 0.000 2.318 31 A HA 0.788 5.135 4.320 0.046 0.000 0.324 31 A C -0.939 176.148 177.584 -0.828 0.000 1.170 31 A CA -0.682 51.003 52.037 -0.588 0.000 0.810 31 A CB 0.311 18.989 19.000 -0.536 0.000 1.198 31 A HN 0.695 nan 8.150 nan 0.000 0.484 32 F N 2.927 122.720 119.950 -0.262 0.000 2.359 32 F HA 0.458 5.012 4.527 0.046 0.000 0.369 32 F C -0.263 175.368 175.800 -0.282 0.000 1.084 32 F CA -0.340 57.583 58.000 -0.130 0.000 1.096 32 F CB 1.143 40.241 39.000 0.163 0.000 1.335 32 F HN 0.315 nan 8.300 nan 0.000 0.457 33 L N 2.431 123.520 121.223 -0.224 0.000 2.307 33 L HA 0.724 5.091 4.340 0.046 0.000 0.284 33 L C 0.844 177.625 176.870 -0.147 0.000 1.023 33 L CA -0.927 53.728 54.840 -0.308 0.000 0.810 33 L CB 1.678 43.341 42.059 -0.660 0.000 1.231 33 L HN 0.842 nan 8.230 nan 0.000 0.423 34 G N 3.211 111.990 108.800 -0.035 0.000 2.171 34 G HA2 -0.238 3.750 3.960 0.046 0.000 0.238 34 G HA3 -0.238 3.750 3.960 0.046 0.000 0.238 34 G C -0.087 174.816 174.900 0.006 0.000 1.039 34 G CA -0.473 44.588 45.100 -0.066 0.000 0.759 34 G HN 0.510 nan 8.290 nan 0.000 0.501 35 I N 2.340 122.943 120.570 0.055 0.000 2.517 35 I HA 0.219 4.417 4.170 0.046 0.000 0.285 35 I C -1.402 174.765 176.117 0.083 0.000 1.106 35 I CA -1.897 59.416 61.300 0.021 0.000 1.402 35 I CB 0.842 38.812 38.000 -0.051 0.000 1.399 35 I HN -0.024 nan 8.210 nan 0.000 0.535 36 P HA 0.047 nan 4.420 nan 0.000 0.276 36 P C -0.160 177.050 177.300 -0.151 0.000 1.243 36 P CA -0.050 62.956 63.100 -0.158 0.000 0.768 36 P CB 0.547 32.159 31.700 -0.146 0.000 0.856 37 F N 1.423 121.192 119.950 -0.302 0.000 2.720 37 F HA 0.677 5.232 4.527 0.046 0.000 0.301 37 F C 0.249 176.020 175.800 -0.048 0.000 1.103 37 F CA -0.619 57.252 58.000 -0.214 0.000 1.291 37 F CB 0.121 38.910 39.000 -0.353 0.000 1.086 37 F HN 0.289 nan 8.300 nan 0.000 0.592 38 A N 0.259 122.763 122.820 -0.526 0.000 2.515 38 A HA 0.556 4.904 4.320 0.046 0.000 0.296 38 A C -0.669 176.741 177.584 -0.291 0.000 1.094 38 A CA -0.803 51.044 52.037 -0.316 0.000 0.718 38 A CB 0.909 19.671 19.000 -0.397 0.000 1.307 38 A HN 0.069 nan 8.150 nan 0.000 0.408 39 E N 1.225 121.341 120.200 -0.139 0.000 2.502 39 E HA 0.135 4.513 4.350 0.046 0.000 0.261 39 E C -2.262 174.228 176.600 -0.183 0.000 0.974 39 E CA -1.000 55.330 56.400 -0.116 0.000 0.936 39 E CB -0.173 29.497 29.700 -0.050 0.000 0.926 39 E HN 0.237 nan 8.360 nan 0.000 0.459 40 P HA -0.005 nan 4.420 nan 0.000 0.261 40 P C -2.182 175.036 177.300 -0.137 0.000 1.183 40 P CA -0.703 62.291 63.100 -0.177 0.000 0.761 40 P CB -0.028 31.607 31.700 -0.109 0.000 0.785 41 P HA 0.016 nan 4.420 nan 0.000 0.218 41 P C -0.312 176.915 177.300 -0.121 0.000 1.793 41 P CA 0.094 63.125 63.100 -0.115 0.000 0.941 41 P CB -0.109 31.526 31.700 -0.108 0.000 1.919 42 V N -3.118 116.731 119.914 -0.109 0.000 3.096 42 V HA 0.897 5.044 4.120 0.046 0.000 0.319 42 V C 1.051 177.089 176.094 -0.094 0.000 1.103 42 V CA 0.054 62.286 62.300 -0.113 0.000 1.016 42 V CB 0.753 32.517 31.823 -0.098 0.000 1.090 42 V HN 0.509 nan 8.190 nan 0.000 0.449 43 G N 1.973 110.717 108.800 -0.094 0.000 2.634 43 G HA2 -0.368 3.619 3.960 0.046 0.000 0.318 43 G HA3 -0.368 3.619 3.960 0.046 0.000 0.318 43 G C 1.272 176.131 174.900 -0.070 0.000 1.207 43 G CA 1.797 46.855 45.100 -0.070 0.000 0.987 43 G HN 2.389 nan 8.290 nan 0.000 0.547 44 S N 0.353 116.028 115.700 -0.042 0.000 2.607 44 S HA 0.145 4.643 4.470 0.046 0.000 0.224 44 S C 1.872 176.456 174.600 -0.027 0.000 0.969 44 S CA 1.456 59.642 58.200 -0.023 0.000 0.927 44 S CB 0.062 63.259 63.200 -0.006 0.000 0.772 44 S HN 0.553 nan 8.310 nan 0.000 0.533 45 R N 1.138 121.607 120.500 -0.052 0.000 2.334 45 R HA 0.279 4.647 4.340 0.046 0.000 0.216 45 R C 0.671 176.919 176.300 -0.086 0.000 0.905 45 R CA -0.175 55.896 56.100 -0.048 0.000 1.064 45 R CB -0.294 29.978 30.300 -0.046 0.000 1.046 45 R HN 0.508 nan 8.270 nan 0.000 0.508 46 R N 0.661 121.060 120.500 -0.167 0.000 2.570 46 R HA -0.107 4.260 4.340 0.046 0.000 0.277 46 R C -0.232 175.871 176.300 -0.328 0.000 1.039 46 R CA 0.470 56.356 56.100 -0.356 0.000 1.065 46 R CB 0.104 30.053 30.300 -0.584 0.000 0.964 46 R HN 0.051 nan 8.270 nan 0.000 0.428 47 F N -0.671 119.288 119.950 0.015 0.000 2.748 47 F HA -0.301 4.253 4.527 0.046 0.000 0.370 47 F C 0.040 175.826 175.800 -0.024 0.000 0.620 47 F CA 0.660 58.645 58.000 -0.025 0.000 1.233 47 F CB -1.645 37.329 39.000 -0.043 0.000 1.708 47 F HN 0.481 nan 8.300 nan 0.000 0.298 48 M N 0.409 120.073 119.600 0.107 0.000 2.528 48 M HA 0.439 4.947 4.480 0.046 0.000 0.318 48 M C -2.038 174.288 176.300 0.045 0.000 1.195 48 M CA -1.521 53.822 55.300 0.073 0.000 1.000 48 M CB 1.213 33.845 32.600 0.053 0.000 1.615 48 M HN -0.392 nan 8.290 nan 0.000 0.469 49 P HA 0.093 nan 4.420 nan 0.000 0.267 49 P C -2.455 174.872 177.300 0.045 0.000 1.200 49 P CA -0.534 62.597 63.100 0.053 0.000 0.772 49 P CB -0.516 31.224 31.700 0.067 0.000 0.855 50 P HA 0.151 nan 4.420 nan 0.000 0.272 50 P C -0.650 176.685 177.300 0.057 0.000 1.223 50 P CA 0.143 63.269 63.100 0.043 0.000 0.784 50 P CB 0.938 32.692 31.700 0.090 0.000 0.923 51 E N 2.431 122.650 120.200 0.033 0.000 2.227 51 E HA 0.372 4.749 4.350 0.046 0.000 0.268 51 E C -2.257 174.382 176.600 0.065 0.000 0.907 51 E CA -2.596 53.836 56.400 0.053 0.000 0.786 51 E CB 0.816 30.538 29.700 0.037 0.000 1.191 51 E HN 0.368 nan 8.360 nan 0.000 0.411 52 P HA -0.125 nan 4.420 nan 0.000 0.261 52 P C -0.537 176.832 177.300 0.115 0.000 1.173 52 P CA 0.153 63.338 63.100 0.142 0.000 0.760 52 P CB 0.400 32.184 31.700 0.141 0.000 0.783 53 K N 4.405 124.892 120.400 0.145 0.000 2.484 53 K HA -0.011 4.337 4.320 0.046 0.000 0.280 53 K C 0.280 176.996 176.600 0.194 0.000 1.013 53 K CA 0.307 56.685 56.287 0.153 0.000 1.029 53 K CB 0.179 32.811 32.500 0.220 0.000 0.902 53 K HN 0.274 nan 8.250 nan 0.000 0.481 54 R N 4.919 125.515 120.500 0.160 0.000 2.594 54 R HA 0.156 4.524 4.340 0.046 0.000 0.272 54 R C -1.987 174.430 176.300 0.194 0.000 1.074 54 R CA -1.603 54.579 56.100 0.136 0.000 1.105 54 R CB 0.022 30.383 30.300 0.102 0.000 1.008 54 R HN 0.584 nan 8.270 nan 0.000 0.472 55 P HA -0.091 nan 4.420 nan 0.000 0.269 55 P C -1.229 176.112 177.300 0.069 0.000 1.211 55 P CA 0.188 63.216 63.100 -0.120 0.000 0.781 55 P CB 0.318 31.924 31.700 -0.156 0.000 0.877 56 W N 0.071 121.407 121.300 0.059 0.000 2.882 56 W HA 0.676 5.363 4.660 0.046 0.000 0.345 56 W C -0.798 175.747 176.519 0.043 0.000 1.125 56 W CA -1.055 56.321 57.345 0.051 0.000 1.167 56 W CB 0.064 29.562 29.460 0.063 0.000 1.431 56 W HN 0.367 nan 8.180 nan 0.000 0.543 57 S N 1.648 117.519 115.700 0.284 0.000 2.616 57 S HA 0.776 5.274 4.470 0.046 0.000 0.277 57 S C 0.656 175.400 174.600 0.239 0.000 1.234 57 S CA 0.162 58.465 58.200 0.171 0.000 1.028 57 S CB 0.838 64.107 63.200 0.116 0.000 0.988 57 S HN 2.194 nan 8.310 nan 0.000 0.522 58 G N 0.647 109.542 108.800 0.157 0.000 2.564 58 G HA2 -0.199 3.789 3.960 0.046 0.000 0.273 58 G HA3 -0.199 3.789 3.960 0.046 0.000 0.273 58 G C -0.527 174.505 174.900 0.220 0.000 1.242 58 G CA -0.138 45.053 45.100 0.151 0.000 0.951 58 G HN 1.697 nan 8.290 nan 0.000 0.564 59 V N 0.774 120.789 119.914 0.169 0.000 2.328 59 V HA 0.527 4.675 4.120 0.046 0.000 0.278 59 V C 0.557 176.722 176.094 0.118 0.000 1.021 59 V CA -0.370 62.032 62.300 0.172 0.000 0.838 59 V CB 1.159 33.049 31.823 0.111 0.000 0.999 59 V HN 0.771 nan 8.190 nan 0.000 0.447 60 L N 4.432 125.717 121.223 0.104 0.000 2.360 60 L HA 0.341 4.708 4.340 0.046 0.000 0.276 60 L C 0.392 177.231 176.870 -0.051 0.000 1.121 60 L CA 0.146 54.918 54.840 -0.114 0.000 0.845 60 L CB 0.874 42.611 42.059 -0.537 0.000 1.143 60 L HN 0.778 nan 8.230 nan 0.000 0.452 61 D N 4.571 124.928 120.400 -0.072 0.000 2.342 61 D HA 0.309 4.977 4.640 0.046 0.000 0.260 61 D C -0.124 176.129 176.300 -0.079 0.000 1.278 61 D CA 0.219 54.185 54.000 -0.056 0.000 0.910 61 D CB 0.953 41.714 40.800 -0.066 0.000 1.079 61 D HN 0.599 nan 8.370 nan 0.000 0.496 62 A N 3.407 126.208 122.820 -0.032 0.000 3.154 62 A HA 0.306 4.654 4.320 0.046 0.000 0.310 62 A C 0.946 178.464 177.584 -0.110 0.000 1.093 62 A CA -0.230 51.786 52.037 -0.036 0.000 1.006 62 A CB -0.238 18.833 19.000 0.117 0.000 1.084 62 A HN 0.583 nan 8.150 nan 0.000 0.549 63 T N -4.052 110.408 114.554 -0.157 0.000 3.044 63 T HA 0.314 4.692 4.350 0.046 0.000 0.260 63 T C 0.440 174.981 174.700 -0.265 0.000 1.019 63 T CA 0.502 62.477 62.100 -0.208 0.000 0.921 63 T CB 0.245 69.023 68.868 -0.150 0.000 1.053 63 T HN 0.308 nan 8.240 nan 0.000 0.533 64 T N 0.965 115.358 114.554 -0.268 0.000 2.933 64 T HA 0.591 4.968 4.350 0.046 0.000 0.305 64 T C -1.471 173.069 174.700 -0.266 0.000 1.092 64 T CA -0.740 61.199 62.100 -0.269 0.000 1.008 64 T CB 0.608 69.379 68.868 -0.162 0.000 1.102 64 T HN 0.099 nan 8.240 nan 0.000 0.469 65 F N 3.550 123.427 119.950 -0.121 0.000 2.572 65 F HA 0.276 4.831 4.527 0.046 0.000 0.370 65 F C 1.416 177.112 175.800 -0.174 0.000 1.103 65 F CA -0.064 57.864 58.000 -0.119 0.000 1.286 65 F CB 0.514 39.475 39.000 -0.066 0.000 1.105 65 F HN 0.416 nan 8.300 nan 0.000 0.583 66 Q N 1.898 121.693 119.800 -0.008 0.000 2.308 66 Q HA 0.153 4.520 4.340 0.046 0.000 0.207 66 Q C -0.026 175.905 176.000 -0.115 0.000 1.035 66 Q CA -0.547 55.095 55.803 -0.268 0.000 1.008 66 Q CB 0.479 28.720 28.738 -0.828 0.000 1.168 66 Q HN 0.511 nan 8.270 nan 0.000 0.565 67 N N -0.190 118.428 118.700 -0.137 0.000 2.395 67 N HA 0.003 4.771 4.740 0.046 0.000 0.246 67 N C -0.535 174.974 175.510 -0.003 0.000 1.246 67 N CA 0.116 53.140 53.050 -0.043 0.000 0.879 67 N CB 0.400 38.879 38.487 -0.013 0.000 1.098 67 N HN 0.178 nan 8.380 nan 0.000 0.444 68 V N 1.975 121.860 119.914 -0.048 0.000 2.614 68 V HA 0.033 4.181 4.120 0.046 0.000 0.291 68 V C 0.854 176.913 176.094 -0.058 0.000 1.049 68 V CA -0.747 61.508 62.300 -0.075 0.000 1.038 68 V CB 0.733 32.477 31.823 -0.132 0.000 0.980 68 V HN 0.701 nan 8.190 nan 0.000 0.481 69 c N 4.139 122.715 118.600 -0.041 0.000 2.679 69 c HA 0.100 4.698 4.570 0.046 0.000 0.417 69 c C 0.474 174.526 174.090 -0.063 0.000 1.302 69 c CA -0.531 55.779 56.329 -0.032 0.000 1.973 69 c CB -0.793 41.723 42.510 0.010 0.000 2.715 69 c HN 0.753 nan 8.230 nan 0.000 0.628 70 Y N 3.685 123.846 120.300 -0.232 0.000 2.544 70 Y HA 0.298 4.875 4.550 0.046 0.000 0.330 70 Y C 0.700 176.634 175.900 0.056 0.000 1.136 70 Y CA 0.922 58.878 58.100 -0.240 0.000 1.417 70 Y CB 0.060 38.125 38.460 -0.659 0.000 1.229 70 Y HN 0.734 nan 8.280 nan 0.000 0.532 71 Q N 4.374 124.089 119.800 -0.142 0.000 2.522 71 Q HA 0.215 4.583 4.340 0.046 0.000 0.285 71 Q C -1.742 174.362 176.000 0.174 0.000 0.982 71 Q CA -1.217 54.702 55.803 0.194 0.000 0.805 71 Q CB 1.252 30.100 28.738 0.183 0.000 1.457 71 Q HN 0.678 nan 8.270 nan 0.000 0.394 72 Y N 1.305 121.779 120.300 0.290 0.000 2.810 72 Y HA 0.224 4.802 4.550 0.046 0.000 0.332 72 Y C -0.844 175.190 175.900 0.222 0.000 1.243 72 Y CA 0.417 58.699 58.100 0.303 0.000 1.537 72 Y CB 0.691 39.453 38.460 0.503 0.000 1.265 72 Y HN 0.440 nan 8.280 nan 0.000 0.572 73 V N 6.584 126.250 119.914 -0.412 0.000 2.532 73 V HA 0.119 4.267 4.120 0.046 0.000 0.295 73 V C -0.441 175.318 176.094 -0.558 0.000 1.041 73 V CA -0.918 61.197 62.300 -0.309 0.000 0.926 73 V CB 1.713 33.409 31.823 -0.212 0.000 0.992 73 V HN 0.775 nan 8.190 nan 0.000 0.457 74 D N 2.246 122.569 120.400 -0.129 0.000 2.304 74 D HA 0.404 5.071 4.640 0.046 0.000 0.250 74 D C 0.784 177.101 176.300 0.028 0.000 1.107 74 D CA 0.184 54.219 54.000 0.058 0.000 0.885 74 D CB 1.394 42.402 40.800 0.347 0.000 1.192 74 D HN 0.741 nan 8.370 nan 0.000 0.436 75 T N 0.956 115.534 114.554 0.039 0.000 3.144 75 T HA 0.038 4.415 4.350 0.046 0.000 0.290 75 T C 1.473 176.155 174.700 -0.028 0.000 0.966 75 T CA -0.414 61.688 62.100 0.003 0.000 0.907 75 T CB -0.156 68.692 68.868 -0.034 0.000 1.152 75 T HN 0.269 nan 8.240 nan 0.000 0.532 76 L N 0.795 121.987 121.223 -0.052 0.000 2.042 76 L HA 0.137 4.505 4.340 0.046 0.000 0.210 76 L C -0.227 176.306 176.870 -0.563 0.000 1.076 76 L CA 1.664 56.281 54.840 -0.373 0.000 0.749 76 L CB -0.300 41.400 42.059 -0.599 0.000 0.893 76 L HN 0.438 nan 8.230 nan 0.000 0.432 77 Y N -0.875 119.439 120.300 0.022 0.000 2.662 77 Y HA 0.397 4.975 4.550 0.046 0.000 0.358 77 Y C -2.233 173.703 175.900 0.061 0.000 1.041 77 Y CA -3.328 54.774 58.100 0.003 0.000 1.184 77 Y CB -0.061 38.374 38.460 -0.042 0.000 1.114 77 Y HN 0.021 nan 8.280 nan 0.000 0.650 78 P HA 0.135 nan 4.420 nan 0.000 0.264 78 P C 1.016 178.374 177.300 0.096 0.000 1.193 78 P CA 1.313 64.466 63.100 0.088 0.000 0.763 78 P CB 0.813 32.535 31.700 0.037 0.000 0.810 79 G N 2.253 111.097 108.800 0.073 0.000 2.184 79 G HA2 -0.289 3.698 3.960 0.046 0.000 0.264 79 G HA3 -0.289 3.698 3.960 0.046 0.000 0.264 79 G C -0.075 174.864 174.900 0.066 0.000 0.975 79 G CA -0.333 44.792 45.100 0.041 0.000 0.642 79 G HN 0.546 nan 8.290 nan 0.000 0.536 80 F N 1.623 121.528 119.950 -0.074 0.000 2.420 80 F HA 0.663 5.217 4.527 0.045 0.000 0.352 80 F C 1.251 176.946 175.800 -0.176 0.000 1.108 80 F CA -0.845 57.059 58.000 -0.159 0.000 1.162 80 F CB 1.477 40.348 39.000 -0.215 0.000 1.118 80 F HN 0.044 nan 8.300 nan 0.000 0.510 81 E N 3.895 123.647 120.200 -0.748 0.000 2.110 81 E HA -0.054 4.324 4.350 0.046 0.000 0.193 81 E C 2.210 178.290 176.600 -0.867 0.000 0.988 81 E CA 1.799 57.798 56.400 -0.669 0.000 0.804 81 E CB -0.533 28.872 29.700 -0.492 0.000 0.745 81 E HN 0.905 nan 8.360 nan 0.000 0.458 82 G N -0.755 106.980 108.800 -1.775 0.000 2.450 82 G HA2 -0.290 3.697 3.960 0.046 0.000 0.220 82 G HA3 -0.290 3.697 3.960 0.046 0.000 0.220 82 G C 1.686 176.525 174.900 -0.101 0.000 1.130 82 G CA 1.690 46.058 45.100 -1.221 0.000 0.760 82 G HN 0.490 nan 8.290 nan 0.000 0.557 83 T N -2.090 112.391 114.554 -0.123 0.000 3.031 83 T HA 0.144 4.522 4.350 0.046 0.000 0.254 83 T C 1.856 176.716 174.700 0.267 0.000 1.060 83 T CA 0.749 63.128 62.100 0.465 0.000 1.135 83 T CB 0.111 69.319 68.868 0.567 0.000 0.896 83 T HN 0.150 nan 8.240 nan 0.000 0.472 84 E N 1.964 122.158 120.200 -0.011 0.000 2.347 84 E HA 0.017 4.395 4.350 0.046 0.000 0.196 84 E C 2.134 178.639 176.600 -0.159 0.000 1.008 84 E CA 0.805 57.173 56.400 -0.054 0.000 0.852 84 E CB -0.339 29.298 29.700 -0.104 0.000 0.783 84 E HN 0.799 nan 8.360 nan 0.000 0.505 85 M N -2.592 116.815 119.600 -0.321 0.000 2.476 85 M HA 0.005 4.513 4.480 0.046 0.000 0.262 85 M C 1.148 177.037 176.300 -0.684 0.000 1.079 85 M CA 1.178 56.131 55.300 -0.578 0.000 1.104 85 M CB -0.427 31.711 32.600 -0.770 0.000 1.409 85 M HN -0.016 nan 8.290 nan 0.000 0.467 86 W N 0.768 122.030 121.300 -0.064 0.000 3.177 86 W HA 0.302 4.989 4.660 0.045 0.000 0.309 86 W C 0.355 176.830 176.519 -0.074 0.000 1.224 86 W CA -0.959 56.339 57.345 -0.078 0.000 1.718 86 W CB -0.080 29.386 29.460 0.009 0.000 1.078 86 W HN 0.084 nan 8.180 nan 0.000 0.618 87 N N 1.651 120.406 118.700 0.091 0.000 2.503 87 N HA 0.138 4.906 4.740 0.046 0.000 0.267 87 N C -2.432 173.042 175.510 -0.061 0.000 1.214 87 N CA -1.549 51.519 53.050 0.031 0.000 0.959 87 N CB 0.115 38.613 38.487 0.017 0.000 1.142 87 N HN -0.334 nan 8.380 nan 0.000 0.455 88 P HA 0.051 nan 4.420 nan 0.000 0.264 88 P C -0.037 177.189 177.300 -0.124 0.000 1.193 88 P CA 0.258 63.285 63.100 -0.121 0.000 0.763 88 P CB 0.126 31.749 31.700 -0.129 0.000 0.810 89 N N 1.479 120.092 118.700 -0.146 0.000 2.204 89 N HA 0.113 4.880 4.740 0.046 0.000 0.219 89 N C 0.196 175.646 175.510 -0.099 0.000 1.151 89 N CA -0.610 52.363 53.050 -0.129 0.000 0.867 89 N CB 0.436 38.829 38.487 -0.158 0.000 1.043 89 N HN 0.078 nan 8.380 nan 0.000 0.516 90 R N 0.486 120.927 120.500 -0.100 0.000 2.855 90 R HA 0.301 4.668 4.340 0.046 0.000 0.266 90 R C -0.592 175.663 176.300 -0.076 0.000 1.034 90 R CA -0.716 55.342 56.100 -0.070 0.000 0.944 90 R CB 0.654 30.921 30.300 -0.055 0.000 1.219 90 R HN 0.138 nan 8.270 nan 0.000 0.474 91 E N 1.602 121.767 120.200 -0.059 0.000 2.452 91 E HA 0.032 4.409 4.350 0.046 0.000 0.261 91 E C 0.061 176.624 176.600 -0.062 0.000 0.987 91 E CA 0.237 56.605 56.400 -0.053 0.000 0.926 91 E CB 0.371 30.050 29.700 -0.035 0.000 0.934 91 E HN 0.276 nan 8.360 nan 0.000 0.452 92 L N 1.838 123.014 121.223 -0.078 0.000 2.417 92 L HA 0.234 4.602 4.340 0.046 0.000 0.268 92 L C 0.747 177.649 176.870 0.054 0.000 1.158 92 L CA 0.098 54.874 54.840 -0.107 0.000 0.819 92 L CB 0.740 42.583 42.059 -0.360 0.000 1.112 92 L HN 0.434 nan 8.230 nan 0.000 0.458 93 S N 0.497 116.256 115.700 0.098 0.000 2.578 93 S HA 0.135 4.633 4.470 0.046 0.000 0.285 93 S C 0.067 174.665 174.600 -0.003 0.000 1.126 93 S CA -0.700 57.549 58.200 0.083 0.000 0.878 93 S CB 1.324 64.540 63.200 0.027 0.000 1.091 93 S HN 0.750 nan 8.310 nan 0.000 0.450 94 E N 1.097 121.228 120.200 -0.116 0.000 2.274 94 E HA -0.062 4.316 4.350 0.046 0.000 0.194 94 E C -0.191 176.332 176.600 -0.129 0.000 0.996 94 E CA 0.551 56.815 56.400 -0.226 0.000 0.840 94 E CB 0.107 29.617 29.700 -0.317 0.000 0.772 94 E HN 0.555 nan 8.360 nan 0.000 0.491 95 D N 0.356 120.719 120.400 -0.062 0.000 2.453 95 D HA 0.000 4.668 4.640 0.046 0.000 0.223 95 D C 0.038 176.403 176.300 0.109 0.000 1.183 95 D CA -0.309 53.682 54.000 -0.015 0.000 0.933 95 D CB 0.136 40.947 40.800 0.018 0.000 1.038 95 D HN 0.144 nan 8.370 nan 0.000 0.513 96 c N 2.523 121.141 118.600 0.029 0.000 4.095 96 c HA 0.350 4.948 4.570 0.046 0.000 0.327 96 c C 0.693 174.789 174.090 0.009 0.000 1.811 96 c CA -0.622 55.802 56.329 0.157 0.000 1.785 96 c CB -1.222 41.327 42.510 0.066 0.000 3.120 96 c HN 0.459 nan 8.230 nan 0.000 0.621 97 L N 2.653 123.583 121.223 -0.489 0.000 2.382 97 L HA 0.350 4.718 4.340 0.046 0.000 0.259 97 L C -0.935 175.183 176.870 -1.255 0.000 1.291 97 L CA 0.640 54.971 54.840 -0.848 0.000 1.176 97 L CB -0.724 40.746 42.059 -0.981 0.000 1.373 97 L HN 0.408 nan 8.230 nan 0.000 0.426 98 Y N 1.677 121.912 120.300 -0.107 0.000 2.545 98 Y HA 0.616 5.193 4.550 0.046 0.000 0.348 98 Y C -0.110 176.006 175.900 0.359 0.000 1.002 98 Y CA -1.284 56.859 58.100 0.072 0.000 1.039 98 Y CB 1.954 40.415 38.460 0.001 0.000 1.271 98 Y HN 0.169 nan 8.280 nan 0.000 0.467 99 L N -0.192 121.245 121.223 0.357 0.000 2.333 99 L HA 0.768 5.136 4.340 0.046 0.000 0.263 99 L C -1.399 175.502 176.870 0.052 0.000 1.014 99 L CA -1.260 53.665 54.840 0.142 0.000 0.820 99 L CB 1.841 43.813 42.059 -0.145 0.000 1.352 99 L HN 0.561 nan 8.230 nan 0.000 0.421 100 N N -0.085 118.660 118.700 0.076 0.000 2.319 100 N HA 0.820 5.587 4.740 0.046 0.000 0.305 100 N C -1.504 173.957 175.510 -0.082 0.000 1.103 100 N CA -0.891 52.115 53.050 -0.073 0.000 0.815 100 N CB 2.752 41.181 38.487 -0.098 0.000 1.288 100 N HN 0.460 nan 8.380 nan 0.000 0.493 101 V N 1.351 121.148 119.914 -0.194 0.000 2.577 101 V HA 0.422 4.569 4.120 0.046 0.000 0.303 101 V C -0.964 175.129 176.094 -0.002 0.000 1.042 101 V CA -0.720 61.576 62.300 -0.007 0.000 0.872 101 V CB 1.413 33.115 31.823 -0.203 0.000 0.998 101 V HN 0.638 nan 8.190 nan 0.000 0.423 102 W N 2.891 124.328 121.300 0.227 0.000 2.573 102 W HA 0.663 5.351 4.660 0.047 0.000 0.326 102 W C 0.156 176.817 176.519 0.236 0.000 1.049 102 W CA -0.473 57.000 57.345 0.212 0.000 1.220 102 W CB 2.466 32.017 29.460 0.152 0.000 1.373 102 W HN 0.642 nan 8.180 nan 0.000 0.507 103 T N -0.073 114.766 114.554 0.476 0.000 2.916 103 T HA 0.546 4.923 4.350 0.046 0.000 0.292 103 T C -2.782 172.101 174.700 0.306 0.000 1.064 103 T CA -2.573 59.752 62.100 0.376 0.000 1.011 103 T CB 2.172 71.288 68.868 0.413 0.000 1.152 103 T HN -0.073 nan 8.240 nan 0.000 0.510 104 P HA 0.163 nan 4.420 nan 0.000 0.268 104 P C -1.523 175.909 177.300 0.220 0.000 1.208 104 P CA -0.131 63.089 63.100 0.199 0.000 0.777 104 P CB 0.063 31.851 31.700 0.146 0.000 0.875 105 Y N 3.877 124.233 120.300 0.094 0.000 2.345 105 Y HA 0.387 4.964 4.550 0.046 0.000 0.331 105 Y C -2.054 173.880 175.900 0.057 0.000 0.959 105 Y CA -2.662 55.483 58.100 0.075 0.000 1.204 105 Y CB 1.126 39.615 38.460 0.049 0.000 1.135 105 Y HN 0.337 nan 8.280 nan 0.000 0.477 106 P HA 0.084 nan 4.420 nan 0.000 0.272 106 P C -0.970 176.279 177.300 -0.084 0.000 1.223 106 P CA -0.404 62.523 63.100 -0.288 0.000 0.784 106 P CB 0.876 32.470 31.700 -0.178 0.000 0.923 107 R N 2.561 123.011 120.500 -0.084 0.000 2.638 107 R HA 0.127 4.494 4.340 0.046 0.000 0.268 107 R C -2.147 174.178 176.300 0.041 0.000 1.006 107 R CA -0.909 55.221 56.100 0.050 0.000 1.088 107 R CB -1.179 29.174 30.300 0.088 0.000 0.950 107 R HN 0.299 nan 8.270 nan 0.000 0.419 108 P HA -0.083 nan 4.420 nan 0.000 0.267 108 P C -0.295 177.026 177.300 0.036 0.000 1.201 108 P CA 0.552 63.687 63.100 0.059 0.000 0.775 108 P CB 0.767 32.513 31.700 0.077 0.000 0.854 109 A N 1.808 124.644 122.820 0.026 0.000 1.935 109 A HA 0.058 4.406 4.320 0.046 0.000 0.214 109 A C 0.875 178.468 177.584 0.014 0.000 1.178 109 A CA 1.260 53.306 52.037 0.015 0.000 0.640 109 A CB -0.702 18.305 19.000 0.012 0.000 0.825 109 A HN 0.618 nan 8.150 nan 0.000 0.447 110 S N -0.506 115.206 115.700 0.020 0.000 2.638 110 S HA 0.598 5.095 4.470 0.046 0.000 0.298 110 S C -3.081 171.534 174.600 0.024 0.000 1.111 110 S CA -1.890 56.319 58.200 0.016 0.000 1.027 110 S CB 0.892 64.099 63.200 0.012 0.000 1.064 110 S HN 0.009 nan 8.310 nan 0.000 0.525 111 P HA 0.101 nan 4.420 nan 0.000 0.256 111 P C -0.662 176.655 177.300 0.028 0.000 1.173 111 P CA 0.554 63.669 63.100 0.024 0.000 0.768 111 P CB -0.183 31.522 31.700 0.008 0.000 0.758 112 T N 6.030 120.613 114.554 0.048 0.000 2.794 112 T HA 0.391 4.768 4.350 0.046 0.000 0.280 112 T C -2.393 172.341 174.700 0.055 0.000 0.987 112 T CA -1.980 60.152 62.100 0.053 0.000 0.993 112 T CB 0.872 69.786 68.868 0.078 0.000 0.939 112 T HN 0.109 nan 8.240 nan 0.000 0.449 113 P HA 0.098 nan 4.420 nan 0.000 0.265 113 P C -0.870 176.476 177.300 0.075 0.000 1.187 113 P CA -0.165 62.958 63.100 0.038 0.000 0.766 113 P CB 0.369 32.076 31.700 0.010 0.000 0.820 114 V N 5.186 125.160 119.914 0.101 0.000 2.398 114 V HA 0.287 4.434 4.120 0.046 0.000 0.286 114 V C 0.308 176.495 176.094 0.156 0.000 1.026 114 V CA -0.457 61.928 62.300 0.141 0.000 0.868 114 V CB 1.128 33.045 31.823 0.156 0.000 0.982 114 V HN 0.347 nan 8.190 nan 0.000 0.443 115 L N 6.059 127.388 121.223 0.178 0.000 2.282 115 L HA 0.564 4.932 4.340 0.046 0.000 0.288 115 L C -0.405 176.731 176.870 0.442 0.000 1.033 115 L CA -0.070 54.904 54.840 0.224 0.000 0.807 115 L CB 1.371 43.433 42.059 0.006 0.000 1.209 115 L HN 0.494 nan 8.230 nan 0.000 0.423 116 I N 3.092 123.950 120.570 0.479 0.000 2.339 116 I HA 0.201 4.398 4.170 0.046 0.000 0.290 116 I C -0.564 175.830 176.117 0.462 0.000 0.994 116 I CA -0.421 61.130 61.300 0.418 0.000 1.191 116 I CB 1.120 39.233 38.000 0.188 0.000 1.343 116 I HN 0.634 nan 8.210 nan 0.000 0.458 117 W N 8.430 129.821 121.300 0.151 0.000 2.376 117 W HA 0.586 5.273 4.660 0.045 0.000 0.322 117 W C -1.456 174.943 176.519 -0.199 0.000 1.160 117 W CA -0.611 56.551 57.345 -0.305 0.000 1.218 117 W CB 1.252 30.582 29.460 -0.217 0.000 1.205 117 W HN 0.352 nan 8.180 nan 0.000 0.559 118 I N 8.852 128.650 120.570 -1.286 0.000 2.493 118 I HA 0.051 4.249 4.170 0.046 0.000 0.279 118 I C -0.389 174.927 176.117 -1.335 0.000 1.045 118 I CA -1.042 59.657 61.300 -1.002 0.000 1.106 118 I CB 0.644 38.234 38.000 -0.683 0.000 1.216 118 I HN 0.302 nan 8.210 nan 0.000 0.459 119 Y N 4.133 123.943 120.300 -0.816 0.000 2.511 119 Y HA 0.604 5.182 4.550 0.046 0.000 0.347 119 Y C 0.888 176.608 175.900 -0.300 0.000 1.257 119 Y CA -0.504 57.257 58.100 -0.566 0.000 1.469 119 Y CB -0.062 38.277 38.460 -0.202 0.000 1.353 119 Y HN 0.490 nan 8.280 nan 0.000 0.617 120 G N -0.908 107.883 108.800 -0.015 0.000 2.583 120 G HA2 0.486 4.473 3.960 0.046 0.000 0.280 120 G HA3 0.486 4.473 3.960 0.046 0.000 0.280 120 G C 0.378 175.224 174.900 -0.089 0.000 1.376 120 G CA -0.896 44.122 45.100 -0.137 0.000 1.043 120 G HN 1.707 nan 8.290 nan 0.000 0.538 121 G N -3.027 105.535 108.800 -0.396 0.000 2.215 121 G HA2 0.403 4.391 3.960 0.046 0.000 0.187 121 G HA3 0.403 4.391 3.960 0.046 0.000 0.187 121 G C 1.046 175.283 174.900 -1.106 0.000 1.039 121 G CA 0.763 45.500 45.100 -0.606 0.000 0.771 121 G HN 2.337 nan 8.290 nan 0.000 0.507 122 G N -0.452 107.725 108.800 -1.039 0.000 2.179 122 G HA2 -0.120 3.868 3.960 0.046 0.000 0.257 122 G HA3 -0.120 3.868 3.960 0.046 0.000 0.257 122 G C 0.887 175.391 174.900 -0.660 0.000 1.010 122 G CA 0.707 44.913 45.100 -1.490 0.000 0.736 122 G HN 1.690 nan 8.290 nan 0.000 0.513 123 F N -3.318 116.444 119.950 -0.314 0.000 2.825 123 F HA -0.326 4.229 4.527 0.046 0.000 0.358 123 F C 1.518 177.392 175.800 0.122 0.000 0.639 123 F CA 2.296 60.258 58.000 -0.062 0.000 1.153 123 F CB -2.019 36.789 39.000 -0.319 0.000 1.610 123 F HN 0.933 nan 8.300 nan 0.000 0.305 124 Y N -1.224 119.170 120.300 0.158 0.000 2.426 124 Y HA 0.642 5.219 4.550 0.045 0.000 0.249 124 Y C 0.714 176.756 175.900 0.237 0.000 1.103 124 Y CA 0.226 58.458 58.100 0.220 0.000 1.256 124 Y CB -0.121 38.440 38.460 0.167 0.000 1.208 124 Y HN 0.061 nan 8.280 nan 0.000 0.519 125 S N -0.859 114.698 115.700 -0.238 0.000 2.752 125 S HA 0.901 5.399 4.470 0.046 0.000 0.284 125 S C -0.067 174.447 174.600 -0.143 0.000 1.189 125 S CA -0.545 57.597 58.200 -0.096 0.000 0.835 125 S CB 1.561 64.727 63.200 -0.057 0.000 1.192 125 S HN 1.320 nan 8.310 nan 0.000 0.506 126 G N -0.776 107.899 108.800 -0.209 0.000 2.440 126 G HA2 0.546 4.533 3.960 0.046 0.000 0.684 126 G HA3 0.546 4.533 3.960 0.046 0.000 0.684 126 G C -0.713 173.584 174.900 -1.005 0.000 1.309 126 G CA -0.240 44.569 45.100 -0.484 0.000 0.931 126 G HN 2.251 nan 8.290 nan 0.000 0.612 127 A N -1.324 120.678 122.820 -1.362 0.000 2.590 127 A HA 0.947 5.294 4.320 0.046 0.000 0.296 127 A C 0.425 177.750 177.584 -0.433 0.000 1.050 127 A CA 0.670 52.152 52.037 -0.925 0.000 0.697 127 A CB 0.734 19.486 19.000 -0.413 0.000 1.277 127 A HN 2.611 nan 8.150 nan 0.000 0.411 128 A N 0.616 123.407 122.820 -0.048 0.000 2.261 128 A HA 0.368 4.715 4.320 0.046 0.000 0.208 128 A C 1.374 178.957 177.584 -0.003 0.000 1.223 128 A CA 1.521 53.730 52.037 0.286 0.000 0.833 128 A CB -0.693 18.562 19.000 0.425 0.000 0.830 128 A HN 1.872 nan 8.150 nan 0.000 0.483 129 S N -1.102 114.380 115.700 -0.364 0.000 2.603 129 S HA 0.379 4.877 4.470 0.046 0.000 0.232 129 S C 0.304 174.512 174.600 -0.654 0.000 1.016 129 S CA -0.477 57.091 58.200 -1.054 0.000 0.976 129 S CB -0.470 62.026 63.200 -1.173 0.000 0.921 129 S HN 0.321 nan 8.310 nan 0.000 0.516 130 L N 2.370 123.325 121.223 -0.447 0.000 2.467 130 L HA 0.200 4.568 4.340 0.046 0.000 0.270 130 L C 1.115 177.669 176.870 -0.527 0.000 1.205 130 L CA -0.465 54.054 54.840 -0.534 0.000 0.828 130 L CB 0.244 41.842 42.059 -0.769 0.000 1.101 130 L HN 0.092 nan 8.230 nan 0.000 0.479 131 D N 1.081 121.218 120.400 -0.438 0.000 2.149 131 D HA -0.149 4.518 4.640 0.046 0.000 0.198 131 D C 2.012 178.040 176.300 -0.453 0.000 0.990 131 D CA 1.416 55.219 54.000 -0.329 0.000 0.839 131 D CB -0.095 40.554 40.800 -0.253 0.000 0.948 131 D HN 0.542 nan 8.370 nan 0.000 0.460 132 V N -1.201 118.290 119.914 -0.705 0.000 2.913 132 V HA -0.177 3.971 4.120 0.046 0.000 0.260 132 V C 1.152 176.633 176.094 -1.020 0.000 1.098 132 V CA 1.077 62.923 62.300 -0.757 0.000 1.121 132 V CB -1.190 30.160 31.823 -0.788 0.000 0.714 132 V HN 0.062 nan 8.190 nan 0.000 0.487 133 Y N 0.320 120.024 120.300 -0.993 0.000 2.625 133 Y HA 0.475 5.053 4.550 0.046 0.000 0.285 133 Y C 0.745 175.954 175.900 -1.151 0.000 1.168 133 Y CA -2.040 55.026 58.100 -1.724 0.000 1.250 133 Y CB -0.911 36.921 38.460 -1.047 0.000 1.130 133 Y HN 0.218 nan 8.280 nan 0.000 0.526 134 D N 0.816 120.861 120.400 -0.592 0.000 2.371 134 D HA 0.087 4.755 4.640 0.046 0.000 0.256 134 D C 1.270 177.257 176.300 -0.523 0.000 1.193 134 D CA 0.374 54.146 54.000 -0.381 0.000 0.881 134 D CB 1.493 42.208 40.800 -0.142 0.000 1.143 134 D HN 0.481 nan 8.370 nan 0.000 0.473 135 G N 4.027 111.932 108.800 -1.491 0.000 3.141 135 G HA2 -0.123 3.864 3.960 0.046 0.000 0.218 135 G HA3 -0.123 3.864 3.960 0.046 0.000 0.218 135 G C 1.465 175.782 174.900 -0.972 0.000 1.170 135 G CA -0.124 44.220 45.100 -1.260 0.000 0.769 135 G HN 0.559 nan 8.290 nan 0.000 0.546 136 R N -0.264 119.663 120.500 -0.954 0.000 2.073 136 R HA 0.003 4.370 4.340 0.046 0.000 0.229 136 R C 1.640 177.690 176.300 -0.415 0.000 1.120 136 R CA 1.011 56.766 56.100 -0.577 0.000 0.967 136 R CB -0.760 29.223 30.300 -0.528 0.000 0.862 136 R HN 0.290 nan 8.270 nan 0.000 0.436 137 F N 1.910 121.785 119.950 -0.126 0.000 2.084 137 F HA -0.021 4.534 4.527 0.047 0.000 0.296 137 F C 2.518 178.271 175.800 -0.079 0.000 1.111 137 F CA 0.937 58.885 58.000 -0.086 0.000 1.224 137 F CB -0.793 38.146 39.000 -0.100 0.000 0.991 137 F HN -0.135 nan 8.300 nan 0.000 0.471 138 L N -0.053 121.214 121.223 0.073 0.000 2.079 138 L HA -0.254 4.114 4.340 0.046 0.000 0.210 138 L C 2.718 179.606 176.870 0.030 0.000 1.081 138 L CA 1.218 56.059 54.840 0.001 0.000 0.752 138 L CB -0.977 41.036 42.059 -0.077 0.000 0.896 138 L HN 0.220 nan 8.230 nan 0.000 0.433 139 A N -1.148 121.692 122.820 0.034 0.000 1.898 139 A HA -0.222 4.126 4.320 0.046 0.000 0.216 139 A C 2.283 179.924 177.584 0.094 0.000 1.181 139 A CA 1.455 53.554 52.037 0.102 0.000 0.620 139 A CB -0.402 18.703 19.000 0.176 0.000 0.819 139 A HN 0.388 nan 8.150 nan 0.000 0.442 140 Q N -0.096 119.744 119.800 0.067 0.000 2.008 140 Q HA -0.063 4.304 4.340 0.046 0.000 0.196 140 Q C 2.251 178.294 176.000 0.070 0.000 0.973 140 Q CA 1.958 57.804 55.803 0.072 0.000 0.826 140 Q CB -0.407 28.363 28.738 0.053 0.000 0.894 140 Q HN 0.389 nan 8.270 nan 0.000 0.439 141 V N 1.665 121.621 119.914 0.070 0.000 2.343 141 V HA -0.171 3.976 4.120 0.046 0.000 0.247 141 V C 1.777 177.894 176.094 0.039 0.000 1.051 141 V CA 1.884 64.216 62.300 0.053 0.000 1.036 141 V CB -0.292 31.559 31.823 0.047 0.000 0.654 141 V HN 0.293 nan 8.190 nan 0.000 0.451 142 E N -0.640 119.583 120.200 0.038 0.000 2.498 142 E HA 0.220 4.597 4.350 0.046 0.000 0.203 142 E C 1.696 178.322 176.600 0.044 0.000 1.013 142 E CA 0.737 57.155 56.400 0.031 0.000 0.927 142 E CB 0.669 30.379 29.700 0.016 0.000 1.012 142 E HN 0.610 nan 8.360 nan 0.000 0.482 143 G N 1.878 110.714 108.800 0.061 0.000 2.179 143 G HA2 -0.319 3.669 3.960 0.046 0.000 0.257 143 G HA3 -0.319 3.669 3.960 0.046 0.000 0.257 143 G C 0.474 175.426 174.900 0.087 0.000 1.010 143 G CA 0.380 45.525 45.100 0.076 0.000 0.736 143 G HN 0.449 nan 8.290 nan 0.000 0.513 144 A N -0.259 122.612 122.820 0.085 0.000 2.409 144 A HA 0.650 4.997 4.320 0.046 0.000 0.262 144 A C 0.669 178.344 177.584 0.152 0.000 1.113 144 A CA 0.018 52.111 52.037 0.094 0.000 0.790 144 A CB 1.016 20.051 19.000 0.059 0.000 1.046 144 A HN 1.119 nan 8.150 nan 0.000 0.496 145 V N 4.231 124.244 119.914 0.165 0.000 2.415 145 V HA 0.144 4.292 4.120 0.046 0.000 0.267 145 V C 0.092 176.334 176.094 0.246 0.000 1.042 145 V CA 0.239 62.670 62.300 0.218 0.000 1.000 145 V CB 0.297 32.236 31.823 0.193 0.000 1.015 145 V HN 0.707 nan 8.190 nan 0.000 0.478 146 L N 7.026 128.455 121.223 0.343 0.000 2.296 146 L HA 0.647 5.014 4.340 0.046 0.000 0.286 146 L C -0.461 176.734 176.870 0.542 0.000 1.023 146 L CA 0.042 55.139 54.840 0.429 0.000 0.812 146 L CB 1.688 43.993 42.059 0.410 0.000 1.223 146 L HN 0.426 nan 8.230 nan 0.000 0.421 147 V N 3.578 123.776 119.914 0.472 0.000 2.495 147 V HA 0.709 4.856 4.120 0.046 0.000 0.298 147 V C -0.275 176.104 176.094 0.475 0.000 1.031 147 V CA -0.434 62.109 62.300 0.405 0.000 0.871 147 V CB 1.746 33.724 31.823 0.260 0.000 0.988 147 V HN 0.859 nan 8.190 nan 0.000 0.432 148 S N 5.551 121.543 115.700 0.487 0.000 2.542 148 S HA 0.904 5.402 4.470 0.046 0.000 0.293 148 S C -0.761 174.021 174.600 0.303 0.000 1.089 148 S CA -0.816 57.657 58.200 0.455 0.000 0.961 148 S CB 2.316 65.906 63.200 0.651 0.000 1.062 148 S HN 0.853 nan 8.310 nan 0.000 0.483 149 M N 1.372 121.115 119.600 0.238 0.000 2.591 149 M HA 0.639 5.147 4.480 0.046 0.000 0.306 149 M C -1.770 174.776 176.300 0.411 0.000 1.190 149 M CA -0.571 54.857 55.300 0.214 0.000 0.889 149 M CB 1.248 33.781 32.600 -0.112 0.000 1.728 149 M HN 0.556 nan 8.290 nan 0.000 0.458 150 N N 2.516 121.514 118.700 0.496 0.000 2.524 150 N HA 0.596 5.363 4.740 0.046 0.000 0.283 150 N C -1.420 174.395 175.510 0.509 0.000 1.142 150 N CA 0.127 53.479 53.050 0.504 0.000 0.984 150 N CB 0.614 39.312 38.487 0.352 0.000 1.155 150 N HN 0.721 nan 8.380 nan 0.000 0.467 151 Y N -1.910 118.588 120.300 0.331 0.000 2.524 151 Y HA 0.564 5.141 4.550 0.046 0.000 0.347 151 Y C -0.063 175.970 175.900 0.221 0.000 1.005 151 Y CA -1.328 56.904 58.100 0.220 0.000 1.025 151 Y CB 0.909 39.424 38.460 0.092 0.000 1.275 151 Y HN 0.204 nan 8.280 nan 0.000 0.460 152 R N 1.813 122.446 120.500 0.221 0.000 2.623 152 R HA 0.478 4.846 4.340 0.046 0.000 0.271 152 R C -0.237 176.193 176.300 0.216 0.000 1.043 152 R CA -0.031 56.152 56.100 0.137 0.000 1.083 152 R CB 0.764 31.113 30.300 0.082 0.000 0.974 152 R HN 0.720 nan 8.270 nan 0.000 0.436 153 V N -0.503 119.593 119.914 0.302 0.000 3.164 153 V HA 0.859 5.006 4.120 0.046 0.000 0.313 153 V C 0.801 177.224 176.094 0.549 0.000 1.188 153 V CA -0.258 62.345 62.300 0.506 0.000 1.058 153 V CB 0.993 33.038 31.823 0.370 0.000 1.110 153 V HN 0.963 nan 8.190 nan 0.000 0.453 154 G N 1.396 110.547 108.800 0.585 0.000 2.581 154 G HA2 -0.310 3.678 3.960 0.046 0.000 0.291 154 G HA3 -0.310 3.678 3.960 0.046 0.000 0.291 154 G C 1.076 176.106 174.900 0.218 0.000 1.277 154 G CA 1.748 47.100 45.100 0.419 0.000 0.959 154 G HN 2.360 nan 8.290 nan 0.000 0.554 155 T N -1.821 112.585 114.554 -0.246 0.000 2.759 155 T HA -0.091 4.286 4.350 0.046 0.000 0.269 155 T C 2.136 176.704 174.700 -0.220 0.000 1.042 155 T CA 2.588 64.304 62.100 -0.640 0.000 1.140 155 T CB -0.404 67.940 68.868 -0.874 0.000 0.864 155 T HN 0.573 nan 8.240 nan 0.000 0.455 156 F N 2.099 122.131 119.950 0.136 0.000 2.216 156 F HA 0.248 4.803 4.527 0.046 0.000 0.300 156 F C 2.730 178.548 175.800 0.031 0.000 1.085 156 F CA 0.740 58.790 58.000 0.082 0.000 1.326 156 F CB -0.874 38.130 39.000 0.006 0.000 1.027 156 F HN 0.380 nan 8.300 nan 0.000 0.497 157 G N -2.060 106.811 108.800 0.118 0.000 2.656 157 G HA2 0.032 4.020 3.960 0.046 0.000 0.211 157 G HA3 0.032 4.020 3.960 0.046 0.000 0.211 157 G C 0.941 175.399 174.900 -0.736 0.000 1.137 157 G CA 0.221 45.112 45.100 -0.348 0.000 0.802 157 G HN 0.333 nan 8.290 nan 0.000 0.527 158 F N -0.629 119.401 119.950 0.133 0.000 2.871 158 F HA 0.427 4.982 4.527 0.046 0.000 0.344 158 F C 0.561 176.414 175.800 0.088 0.000 1.078 158 F CA -0.981 57.071 58.000 0.086 0.000 1.149 158 F CB 0.358 39.415 39.000 0.094 0.000 1.087 158 F HN -0.092 nan 8.300 nan 0.000 0.557 159 L N 2.308 123.557 121.223 0.043 0.000 2.562 159 L HA 0.458 4.825 4.340 0.046 0.000 0.271 159 L C 0.014 176.813 176.870 -0.119 0.000 1.167 159 L CA -0.037 54.708 54.840 -0.160 0.000 0.917 159 L CB 0.081 41.713 42.059 -0.710 0.000 1.187 159 L HN 0.121 nan 8.230 nan 0.000 0.482 160 A N 6.579 129.397 122.820 -0.004 0.000 2.355 160 A HA 0.638 4.985 4.320 0.046 0.000 0.317 160 A C -0.807 176.745 177.584 -0.052 0.000 1.094 160 A CA -0.653 51.364 52.037 -0.033 0.000 0.764 160 A CB 1.176 20.187 19.000 0.019 0.000 1.230 160 A HN 0.729 nan 8.150 nan 0.000 0.448 161 L N 3.558 124.737 121.223 -0.075 0.000 2.360 161 L HA 0.288 4.656 4.340 0.046 0.000 0.265 161 L C -2.376 174.479 176.870 -0.026 0.000 1.066 161 L CA -1.863 52.946 54.840 -0.051 0.000 0.929 161 L CB 1.162 43.181 42.059 -0.067 0.000 1.306 161 L HN 0.428 nan 8.230 nan 0.000 0.434 162 P HA 0.023 nan 4.420 nan 0.000 0.264 162 P C 0.966 178.264 177.300 -0.002 0.000 1.183 162 P CA 0.823 63.920 63.100 -0.004 0.000 0.763 162 P CB 0.895 32.593 31.700 -0.004 0.000 0.807 163 G N 1.807 110.610 108.800 0.005 0.000 2.268 163 G HA2 -0.263 3.725 3.960 0.046 0.000 0.240 163 G HA3 -0.263 3.725 3.960 0.046 0.000 0.240 163 G C 0.502 175.406 174.900 0.006 0.000 1.010 163 G CA 0.298 45.401 45.100 0.006 0.000 0.618 163 G HN 0.826 nan 8.290 nan 0.000 0.516 164 S N -0.009 115.692 115.700 0.001 0.000 2.589 164 S HA 0.522 5.020 4.470 0.046 0.000 0.265 164 S C 1.275 175.883 174.600 0.012 0.000 1.342 164 S CA 0.630 58.831 58.200 0.002 0.000 1.005 164 S CB 1.702 64.897 63.200 -0.008 0.000 0.909 164 S HN 0.516 nan 8.310 nan 0.000 0.555 165 R N 0.401 120.911 120.500 0.016 0.000 2.140 165 R HA 0.008 4.376 4.340 0.046 0.000 0.213 165 R C 1.288 177.608 176.300 0.034 0.000 1.059 165 R CA 1.028 57.142 56.100 0.025 0.000 1.000 165 R CB -0.095 30.219 30.300 0.023 0.000 0.910 165 R HN 0.895 nan 8.270 nan 0.000 0.455 166 E N -0.789 119.432 120.200 0.035 0.000 2.472 166 E HA 0.083 4.460 4.350 0.046 0.000 0.196 166 E C -0.178 176.472 176.600 0.083 0.000 1.033 166 E CA 0.254 56.691 56.400 0.062 0.000 0.886 166 E CB 0.992 30.732 29.700 0.067 0.000 0.944 166 E HN 0.194 nan 8.360 nan 0.000 0.492 167 A N 2.544 125.383 122.820 0.032 0.000 3.422 167 A HA 0.334 4.681 4.320 0.046 0.000 0.271 167 A C -2.157 175.423 177.584 -0.006 0.000 1.104 167 A CA -0.900 51.139 52.037 0.003 0.000 0.899 167 A CB 0.811 19.725 19.000 -0.143 0.000 1.309 167 A HN -0.109 nan 8.150 nan 0.000 0.580 168 P HA 0.101 nan 4.420 nan 0.000 0.230 168 P C 0.944 178.256 177.300 0.019 0.000 1.158 168 P CA 1.836 64.950 63.100 0.023 0.000 0.769 168 P CB 0.096 31.820 31.700 0.040 0.000 0.807 169 G N 0.926 109.733 108.800 0.012 0.000 2.746 169 G HA2 -0.213 3.774 3.960 0.046 0.000 0.685 169 G HA3 -0.213 3.774 3.960 0.046 0.000 0.685 169 G C -0.231 174.661 174.900 -0.013 0.000 1.350 169 G CA -0.248 44.861 45.100 0.014 0.000 0.837 169 G HN 0.255 nan 8.290 nan 0.000 0.564 170 N N -2.238 116.455 118.700 -0.012 0.000 2.714 170 N HA -0.288 4.480 4.740 0.046 0.000 0.250 170 N C 1.526 176.894 175.510 -0.236 0.000 1.117 170 N CA 1.706 54.684 53.050 -0.121 0.000 0.719 170 N CB -1.144 37.177 38.487 -0.276 0.000 1.081 170 N HN 1.844 nan 8.380 nan 0.000 0.557 171 V N -3.585 116.176 119.914 -0.256 0.000 2.591 171 V HA 0.058 4.206 4.120 0.046 0.000 0.249 171 V C 2.344 178.309 176.094 -0.215 0.000 1.053 171 V CA 1.847 64.049 62.300 -0.163 0.000 1.068 171 V CB -0.807 30.975 31.823 -0.068 0.000 0.689 171 V HN 0.331 nan 8.190 nan 0.000 0.462 172 G N 0.647 109.121 108.800 -0.543 0.000 2.469 172 G HA2 -0.201 3.786 3.960 0.046 0.000 0.220 172 G HA3 -0.201 3.786 3.960 0.046 0.000 0.220 172 G C 1.566 176.430 174.900 -0.060 0.000 1.136 172 G CA 1.399 46.304 45.100 -0.325 0.000 0.759 172 G HN 0.541 nan 8.290 nan 0.000 0.562 173 L N -0.356 120.777 121.223 -0.151 0.000 2.179 173 L HA 0.164 4.531 4.340 0.046 0.000 0.208 173 L C 2.774 179.663 176.870 0.032 0.000 1.096 173 L CA 0.200 54.932 54.840 -0.181 0.000 0.779 173 L CB -0.186 41.441 42.059 -0.720 0.000 0.922 173 L HN 0.170 nan 8.230 nan 0.000 0.443 174 L N -0.618 120.630 121.223 0.042 0.000 2.156 174 L HA -0.180 4.188 4.340 0.046 0.000 0.208 174 L C 2.096 179.088 176.870 0.203 0.000 1.095 174 L CA 0.723 55.687 54.840 0.206 0.000 0.770 174 L CB -0.553 41.605 42.059 0.166 0.000 0.914 174 L HN 0.265 nan 8.230 nan 0.000 0.439 175 D N 0.115 120.623 120.400 0.180 0.000 2.104 175 D HA -0.220 4.448 4.640 0.046 0.000 0.194 175 D C 2.262 178.705 176.300 0.237 0.000 0.994 175 D CA 1.285 55.472 54.000 0.311 0.000 0.830 175 D CB -0.189 40.811 40.800 0.333 0.000 0.959 175 D HN 0.380 nan 8.370 nan 0.000 0.452 176 Q N 0.077 119.947 119.800 0.115 0.000 2.061 176 Q HA -0.144 4.223 4.340 0.046 0.000 0.204 176 Q C 2.304 178.269 176.000 -0.059 0.000 0.984 176 Q CA 1.190 56.972 55.803 -0.036 0.000 0.846 176 Q CB -0.098 28.625 28.738 -0.026 0.000 0.902 176 Q HN 0.194 nan 8.270 nan 0.000 0.421 177 R N 0.516 121.097 120.500 0.135 0.000 2.091 177 R HA -0.190 4.178 4.340 0.046 0.000 0.238 177 R C 2.192 178.538 176.300 0.077 0.000 1.136 177 R CA 1.176 57.349 56.100 0.121 0.000 0.959 177 R CB -0.283 30.204 30.300 0.311 0.000 0.856 177 R HN 0.225 nan 8.270 nan 0.000 0.437 178 L N 0.671 121.972 121.223 0.129 0.000 2.083 178 L HA -0.065 4.303 4.340 0.046 0.000 0.209 178 L C 2.209 179.118 176.870 0.066 0.000 1.083 178 L CA 2.097 57.040 54.840 0.172 0.000 0.752 178 L CB -0.646 41.604 42.059 0.318 0.000 0.899 178 L HN 0.281 nan 8.230 nan 0.000 0.433 179 A N -0.790 121.867 122.820 -0.272 0.000 1.930 179 A HA -0.107 4.241 4.320 0.046 0.000 0.217 179 A C 2.198 179.735 177.584 -0.079 0.000 1.175 179 A CA 1.629 53.364 52.037 -0.503 0.000 0.627 179 A CB -0.689 17.753 19.000 -0.930 0.000 0.815 179 A HN 0.492 nan 8.150 nan 0.000 0.443 180 L N -1.291 119.887 121.223 -0.076 0.000 2.056 180 L HA -0.229 4.139 4.340 0.046 0.000 0.207 180 L C 2.827 179.740 176.870 0.072 0.000 1.078 180 L CA 1.677 56.513 54.840 -0.008 0.000 0.749 180 L CB -0.796 41.216 42.059 -0.078 0.000 0.901 180 L HN 0.443 nan 8.230 nan 0.000 0.433 181 Q N -0.618 119.235 119.800 0.089 0.000 2.061 181 Q HA -0.270 4.098 4.340 0.046 0.000 0.204 181 Q C 2.055 178.143 176.000 0.147 0.000 0.984 181 Q CA 2.234 58.103 55.803 0.109 0.000 0.846 181 Q CB -0.287 28.526 28.738 0.126 0.000 0.902 181 Q HN 0.500 nan 8.270 nan 0.000 0.421 182 W N -0.299 121.015 121.300 0.024 0.000 2.338 182 W HA -0.234 4.454 4.660 0.046 0.000 0.304 182 W C 1.752 178.300 176.519 0.048 0.000 1.212 182 W CA 1.441 58.819 57.345 0.056 0.000 1.264 182 W CB -0.178 29.319 29.460 0.062 0.000 1.142 182 W HN -0.079 nan 8.180 nan 0.000 0.512 183 V N 0.628 120.700 119.914 0.263 0.000 2.295 183 V HA -0.338 3.809 4.120 0.046 0.000 0.246 183 V C 2.546 178.631 176.094 -0.016 0.000 1.049 183 V CA 2.039 64.418 62.300 0.130 0.000 1.024 183 V CB -1.066 30.868 31.823 0.186 0.000 0.648 183 V HN 0.153 nan 8.190 nan 0.000 0.447 184 Q N 0.121 119.928 119.800 0.012 0.000 2.112 184 Q HA -0.244 4.123 4.340 0.046 0.000 0.206 184 Q C 2.180 178.141 176.000 -0.064 0.000 0.987 184 Q CA 1.946 57.747 55.803 -0.003 0.000 0.858 184 Q CB -0.325 28.421 28.738 0.014 0.000 0.905 184 Q HN 0.751 nan 8.270 nan 0.000 0.420 185 E N -0.616 119.505 120.200 -0.131 0.000 2.230 185 E HA 0.013 4.391 4.350 0.046 0.000 0.192 185 E C 1.244 177.679 176.600 -0.276 0.000 0.987 185 E CA 0.364 56.658 56.400 -0.176 0.000 0.841 185 E CB 0.247 29.847 29.700 -0.167 0.000 0.783 185 E HN 0.333 nan 8.360 nan 0.000 0.481 186 N N -0.062 118.366 118.700 -0.453 0.000 2.239 186 N HA 0.037 4.805 4.740 0.046 0.000 0.208 186 N C 1.439 176.834 175.510 -0.192 0.000 1.200 186 N CA 0.065 52.809 53.050 -0.509 0.000 0.895 186 N CB 0.598 38.375 38.487 -1.184 0.000 1.085 186 N HN 0.036 nan 8.380 nan 0.000 0.500 187 I N 2.507 122.998 120.570 -0.131 0.000 2.394 187 I HA -0.095 4.103 4.170 0.046 0.000 0.251 187 I C 2.231 178.450 176.117 0.171 0.000 1.136 187 I CA 0.608 61.954 61.300 0.076 0.000 1.425 187 I CB -0.316 37.713 38.000 0.049 0.000 1.079 187 I HN 0.048 nan 8.210 nan 0.000 0.425 188 A N 0.420 123.275 122.820 0.060 0.000 1.948 188 A HA -0.224 4.124 4.320 0.046 0.000 0.220 188 A C 2.505 180.103 177.584 0.022 0.000 1.177 188 A CA 1.884 53.944 52.037 0.039 0.000 0.636 188 A CB -1.243 17.753 19.000 -0.006 0.000 0.815 188 A HN 0.490 nan 8.150 nan 0.000 0.449 189 A N -1.606 121.199 122.820 -0.025 0.000 2.076 189 A HA -0.019 4.328 4.320 0.046 0.000 0.220 189 A C 1.653 179.053 177.584 -0.307 0.000 1.160 189 A CA 1.506 53.425 52.037 -0.198 0.000 0.653 189 A CB -0.669 18.131 19.000 -0.333 0.000 0.801 189 A HN 0.530 nan 8.150 nan 0.000 0.455 190 F N -1.501 118.393 119.950 -0.093 0.000 2.727 190 F HA 0.374 4.928 4.527 0.046 0.000 0.302 190 F C 1.819 177.627 175.800 0.012 0.000 1.097 190 F CA 0.499 58.462 58.000 -0.062 0.000 1.330 190 F CB 0.195 39.165 39.000 -0.051 0.000 1.084 190 F HN 0.333 nan 8.300 nan 0.000 0.578 191 G N 0.421 109.312 108.800 0.152 0.000 2.143 191 G HA2 -0.196 3.791 3.960 0.046 0.000 0.249 191 G HA3 -0.196 3.791 3.960 0.046 0.000 0.249 191 G C 0.677 175.651 174.900 0.122 0.000 0.981 191 G CA -0.199 44.966 45.100 0.108 0.000 0.665 191 G HN 0.719 nan 8.290 nan 0.000 0.528 192 G N -0.555 108.338 108.800 0.155 0.000 2.503 192 G HA2 0.455 4.443 3.960 0.046 0.000 0.257 192 G HA3 0.455 4.443 3.960 0.046 0.000 0.257 192 G C -0.590 174.361 174.900 0.086 0.000 1.214 192 G CA 0.292 45.467 45.100 0.125 0.000 0.839 192 G HN 0.225 nan 8.290 nan 0.000 0.559 193 D N 1.405 121.848 120.400 0.070 0.000 2.396 193 D HA 0.282 4.949 4.640 0.046 0.000 0.225 193 D C -1.175 175.162 176.300 0.062 0.000 1.121 193 D CA -2.361 51.665 54.000 0.044 0.000 0.853 193 D CB 1.945 42.755 40.800 0.016 0.000 1.043 193 D HN 0.048 nan 8.370 nan 0.000 0.500 194 P HA -0.064 nan 4.420 nan 0.000 0.230 194 P C 1.252 178.660 177.300 0.179 0.000 1.158 194 P CA 0.638 63.802 63.100 0.106 0.000 0.769 194 P CB 0.239 31.976 31.700 0.062 0.000 0.807 195 M N -1.308 118.323 119.600 0.052 0.000 2.556 195 M HA 0.066 4.573 4.480 0.046 0.000 0.245 195 M C 0.774 176.736 176.300 -0.563 0.000 1.128 195 M CA 0.577 55.804 55.300 -0.121 0.000 1.069 195 M CB 0.178 32.703 32.600 -0.125 0.000 1.469 195 M HN -0.159 nan 8.290 nan 0.000 0.494 196 S N 1.164 116.751 115.700 -0.189 0.000 2.259 196 S HA 0.421 4.919 4.470 0.046 0.000 0.181 196 S C -0.924 173.773 174.600 0.162 0.000 1.589 196 S CA -0.544 57.576 58.200 -0.134 0.000 1.234 196 S CB 0.383 63.514 63.200 -0.114 0.000 1.119 196 S HN -0.004 nan 8.310 nan 0.000 0.458 197 V N 4.402 124.616 119.914 0.499 0.000 2.357 197 V HA 0.485 4.633 4.120 0.046 0.000 0.284 197 V C 0.123 176.407 176.094 0.316 0.000 1.018 197 V CA -0.489 62.012 62.300 0.335 0.000 0.841 197 V CB 1.628 33.614 31.823 0.271 0.000 0.991 197 V HN 0.747 nan 8.190 nan 0.000 0.437 198 T N 6.680 121.368 114.554 0.222 0.000 2.767 198 T HA 0.600 4.977 4.350 0.046 0.000 0.284 198 T C -0.136 174.710 174.700 0.243 0.000 0.973 198 T CA -0.345 61.886 62.100 0.218 0.000 0.996 198 T CB 0.892 69.842 68.868 0.136 0.000 0.927 198 T HN 0.334 nan 8.240 nan 0.000 0.456 199 L N 4.593 125.930 121.223 0.189 0.000 2.350 199 L HA 0.701 5.068 4.340 0.046 0.000 0.275 199 L C -0.379 176.694 176.870 0.340 0.000 1.099 199 L CA -0.846 54.071 54.840 0.128 0.000 0.808 199 L CB 0.453 42.358 42.059 -0.256 0.000 1.149 199 L HN 0.648 nan 8.230 nan 0.000 0.442 200 F N 0.193 120.186 119.950 0.071 0.000 2.613 200 F HA 0.962 5.516 4.527 0.045 0.000 0.310 200 F C -0.357 175.372 175.800 -0.119 0.000 1.085 200 F CA -1.386 56.693 58.000 0.132 0.000 0.945 200 F CB 1.611 40.849 39.000 0.396 0.000 1.298 200 F HN 0.497 nan 8.300 nan 0.000 0.455 201 G N 0.855 109.468 108.800 -0.312 0.000 2.547 201 G HA2 0.492 4.480 3.960 0.046 0.000 0.291 201 G HA3 0.492 4.480 3.960 0.046 0.000 0.291 201 G C -2.487 172.159 174.900 -0.422 0.000 1.471 201 G CA -0.721 43.799 45.100 -0.968 0.000 0.798 201 G HN 0.910 nan 8.290 nan 0.000 0.504 205 G N 0.648 109.203 108.800 -0.408 0.000 2.442 205 G HA2 0.089 4.076 3.960 0.046 0.000 0.219 205 G HA3 0.089 4.076 3.960 0.046 0.000 0.219 205 G C 1.629 176.324 174.900 -0.341 0.000 1.141 205 G CA 1.936 46.753 45.100 -0.472 0.000 0.763 205 G HN 1.234 nan 8.290 nan 0.000 0.554 206 A N 1.301 124.002 122.820 -0.199 0.000 1.855 206 A HA 0.306 4.654 4.320 0.046 0.000 0.215 206 A C 2.871 180.422 177.584 -0.055 0.000 1.191 206 A CA 2.247 54.233 52.037 -0.084 0.000 0.613 206 A CB -1.005 18.007 19.000 0.020 0.000 0.829 206 A HN 0.860 nan 8.150 nan 0.000 0.442 207 A N -0.152 122.663 122.820 -0.007 0.000 1.927 207 A HA -0.171 4.176 4.320 0.046 0.000 0.220 207 A C 2.438 180.020 177.584 -0.003 0.000 1.185 207 A CA 2.454 54.475 52.037 -0.026 0.000 0.639 207 A CB -1.001 17.992 19.000 -0.012 0.000 0.820 207 A HN 0.506 nan 8.150 nan 0.000 0.451 208 S N -0.472 115.217 115.700 -0.018 0.000 2.356 208 S HA -0.129 4.368 4.470 0.046 0.000 0.223 208 S C 1.885 176.446 174.600 -0.065 0.000 1.032 208 S CA 1.359 59.519 58.200 -0.066 0.000 1.005 208 S CB -0.662 62.437 63.200 -0.169 0.000 0.867 208 S HN 0.366 nan 8.310 nan 0.000 0.449 209 V N 2.047 121.915 119.914 -0.076 0.000 2.282 209 V HA -0.212 3.935 4.120 0.046 0.000 0.249 209 V C 2.685 178.757 176.094 -0.036 0.000 1.057 209 V CA 2.076 64.333 62.300 -0.073 0.000 1.032 209 V CB -1.632 30.123 31.823 -0.113 0.000 0.645 209 V HN 0.606 nan 8.190 nan 0.000 0.447 210 G N -0.966 107.810 108.800 -0.040 0.000 2.442 210 G HA2 -0.273 3.714 3.960 0.046 0.000 0.219 210 G HA3 -0.273 3.714 3.960 0.046 0.000 0.219 210 G C 1.609 176.514 174.900 0.009 0.000 1.141 210 G CA 1.136 46.221 45.100 -0.026 0.000 0.763 210 G HN 0.465 nan 8.290 nan 0.000 0.554 211 M N -0.244 119.343 119.600 -0.023 0.000 2.254 211 M HA 0.030 4.537 4.480 0.046 0.000 0.265 211 M C 2.309 178.655 176.300 0.077 0.000 1.066 211 M CA 0.823 56.138 55.300 0.025 0.000 1.123 211 M CB -0.262 32.325 32.600 -0.022 0.000 1.388 211 M HN 0.198 nan 8.290 nan 0.000 0.425 212 H N 0.025 119.192 119.070 0.161 0.000 2.389 212 H HA -0.043 4.541 4.556 0.046 0.000 0.299 212 H C 2.141 177.661 175.328 0.320 0.000 1.081 212 H CA 1.488 57.637 56.048 0.168 0.000 1.345 212 H CB -0.372 29.354 29.762 -0.061 0.000 1.393 212 H HN 0.401 nan 8.280 nan 0.000 0.520 213 I N 0.702 121.514 120.570 0.403 0.000 2.208 213 I HA -0.251 3.947 4.170 0.046 0.000 0.245 213 I C 1.884 178.179 176.117 0.296 0.000 1.097 213 I CA 1.115 62.676 61.300 0.435 0.000 1.363 213 I CB -0.097 38.063 38.000 0.266 0.000 1.051 213 I HN 0.096 nan 8.210 nan 0.000 0.413 214 L N -0.851 120.495 121.223 0.204 0.000 2.591 214 L HA 0.097 4.465 4.340 0.046 0.000 0.228 214 L C 0.803 177.709 176.870 0.061 0.000 1.133 214 L CA 0.022 54.958 54.840 0.161 0.000 0.880 214 L CB -0.066 42.071 42.059 0.129 0.000 1.033 214 L HN 0.028 nan 8.230 nan 0.000 0.450 215 S N -0.345 115.358 115.700 0.004 0.000 2.640 215 S HA 0.253 4.751 4.470 0.046 0.000 0.320 215 S C 0.582 175.095 174.600 -0.145 0.000 1.097 215 S CA -0.649 57.433 58.200 -0.196 0.000 1.092 215 S CB 1.407 64.203 63.200 -0.674 0.000 0.988 215 S HN 0.164 nan 8.310 nan 0.000 0.470 216 L N 7.248 128.397 121.223 -0.123 0.000 2.013 216 L HA 0.092 4.460 4.340 0.046 0.000 0.212 216 L C -1.114 175.705 176.870 -0.085 0.000 1.073 216 L CA 2.192 56.980 54.840 -0.085 0.000 0.753 216 L CB -0.939 41.074 42.059 -0.078 0.000 0.890 216 L HN 0.497 nan 8.230 nan 0.000 0.432 217 P HA -0.066 nan 4.420 nan 0.000 0.228 217 P C 1.475 178.759 177.300 -0.027 0.000 1.151 217 P CA 1.175 64.231 63.100 -0.073 0.000 0.770 217 P CB 0.031 31.679 31.700 -0.085 0.000 0.786 218 S N -0.985 114.718 115.700 0.004 0.000 2.458 218 S HA 0.029 4.526 4.470 0.046 0.000 0.223 218 S C 1.821 176.521 174.600 0.167 0.000 1.019 218 S CA 0.350 58.658 58.200 0.179 0.000 0.937 218 S CB -0.291 63.156 63.200 0.412 0.000 0.788 218 S HN 0.083 nan 8.310 nan 0.000 0.511 219 R N 2.056 122.550 120.500 -0.011 0.000 2.152 219 R HA -0.013 4.354 4.340 0.046 0.000 0.232 219 R C 2.165 178.244 176.300 -0.368 0.000 1.117 219 R CA 1.313 57.233 56.100 -0.300 0.000 0.981 219 R CB -1.156 29.026 30.300 -0.197 0.000 0.870 219 R HN 0.556 nan 8.270 nan 0.000 0.451 220 S N -0.099 115.490 115.700 -0.185 0.000 2.607 220 S HA 0.068 4.565 4.470 0.046 0.000 0.224 220 S C 1.653 176.156 174.600 -0.161 0.000 0.969 220 S CA 0.344 58.449 58.200 -0.159 0.000 0.927 220 S CB -0.160 62.993 63.200 -0.078 0.000 0.772 220 S HN 0.233 nan 8.310 nan 0.000 0.533 221 L N -0.243 120.890 121.223 -0.149 0.000 2.817 221 L HA 0.493 4.860 4.340 0.046 0.000 0.248 221 L C -0.051 176.824 176.870 0.009 0.000 1.133 221 L CA -0.327 54.501 54.840 -0.021 0.000 0.935 221 L CB 0.254 42.368 42.059 0.092 0.000 1.266 221 L HN 0.480 nan 8.230 nan 0.000 0.535 222 F N -3.935 115.809 119.950 -0.344 0.000 2.685 222 F HA 0.496 5.051 4.527 0.046 0.000 0.315 222 F C 0.505 175.949 175.800 -0.594 0.000 1.126 222 F CA -0.988 56.768 58.000 -0.407 0.000 0.950 222 F CB 0.795 39.717 39.000 -0.129 0.000 1.360 222 F HN -0.124 nan 8.300 nan 0.000 0.469 223 H N -0.578 118.530 119.070 0.064 0.000 3.046 223 H HA 0.468 5.052 4.556 0.046 0.000 0.262 223 H C -0.174 175.177 175.328 0.039 0.000 1.044 223 H CA -0.047 55.968 56.048 -0.054 0.000 1.209 223 H CB 0.994 30.731 29.762 -0.042 0.000 1.507 223 H HN 0.455 nan 8.280 nan 0.000 0.507 224 R N 0.154 120.850 120.500 0.327 0.000 2.663 224 R HA 0.668 5.036 4.340 0.046 0.000 0.267 224 R C -1.570 174.987 176.300 0.428 0.000 1.038 224 R CA -0.591 55.672 56.100 0.272 0.000 0.886 224 R CB 2.831 33.102 30.300 -0.048 0.000 1.249 224 R HN 0.152 nan 8.270 nan 0.000 0.463 225 A N 1.370 124.452 122.820 0.437 0.000 2.515 225 A HA 0.733 5.081 4.320 0.046 0.000 0.298 225 A C -1.442 176.304 177.584 0.270 0.000 1.059 225 A CA -0.603 51.622 52.037 0.312 0.000 0.698 225 A CB 1.988 21.116 19.000 0.213 0.000 1.289 225 A HN 0.288 nan 8.150 nan 0.000 0.404 226 V N 1.976 121.997 119.914 0.178 0.000 2.483 226 V HA 0.487 4.635 4.120 0.046 0.000 0.297 226 V C -1.179 174.988 176.094 0.122 0.000 1.027 226 V CA -0.285 62.051 62.300 0.060 0.000 0.855 226 V CB 1.219 33.103 31.823 0.101 0.000 0.995 226 V HN 0.682 nan 8.190 nan 0.000 0.424 227 L N 5.208 126.469 121.223 0.063 0.000 2.316 227 L HA 0.539 4.907 4.340 0.046 0.000 0.280 227 L C -0.002 176.943 176.870 0.123 0.000 1.006 227 L CA 0.050 54.926 54.840 0.059 0.000 0.836 227 L CB 1.564 43.617 42.059 -0.011 0.000 1.221 227 L HN 0.630 nan 8.230 nan 0.000 0.418 228 Q N 2.039 121.962 119.800 0.205 0.000 2.347 228 Q HA 0.432 4.799 4.340 0.046 0.000 0.262 228 Q C 0.183 176.290 176.000 0.178 0.000 0.980 228 Q CA -0.558 55.429 55.803 0.307 0.000 0.867 228 Q CB 1.421 30.445 28.738 0.478 0.000 1.242 228 Q HN 0.618 nan 8.270 nan 0.000 0.453 229 S N 1.016 116.805 115.700 0.149 0.000 3.549 229 S HA -0.181 4.316 4.470 0.046 0.000 0.366 229 S C 0.063 174.818 174.600 0.258 0.000 1.012 229 S CA 0.611 58.913 58.200 0.171 0.000 1.141 229 S CB -1.137 62.141 63.200 0.128 0.000 0.910 229 S HN 0.972 nan 8.310 nan 0.000 0.471 230 G N -0.530 108.394 108.800 0.207 0.000 2.579 230 G HA2 0.672 4.660 3.960 0.046 0.000 0.292 230 G HA3 0.672 4.660 3.960 0.046 0.000 0.292 230 G C -0.929 174.044 174.900 0.121 0.000 1.484 230 G CA 0.165 45.456 45.100 0.319 0.000 0.813 230 G HN 0.929 nan 8.290 nan 0.000 0.515 231 T N -1.510 113.067 114.554 0.038 0.000 2.853 231 T HA 0.712 5.090 4.350 0.046 0.000 0.311 231 T C -2.428 172.123 174.700 -0.249 0.000 1.307 231 T CA -1.326 60.706 62.100 -0.113 0.000 1.019 231 T CB 2.829 71.612 68.868 -0.141 0.000 1.264 231 T HN 0.257 nan 8.240 nan 0.000 0.497 232 P HA -0.027 nan 4.420 nan 0.000 0.219 232 P C 0.430 177.558 177.300 -0.287 0.000 1.150 232 P CA 0.803 63.769 63.100 -0.225 0.000 0.814 232 P CB -0.128 31.497 31.700 -0.125 0.000 0.787 233 N N 0.462 119.014 118.700 -0.246 0.000 2.322 233 N HA 0.263 5.030 4.740 0.046 0.000 0.270 233 N C 0.868 176.166 175.510 -0.353 0.000 1.286 233 N CA 0.638 53.544 53.050 -0.240 0.000 0.948 233 N CB -0.312 38.079 38.487 -0.160 0.000 1.164 233 N HN 0.219 nan 8.380 nan 0.000 0.551 234 G N -1.125 107.495 108.800 -0.300 0.000 2.710 234 G HA2 -0.145 3.843 3.960 0.046 0.000 0.668 234 G HA3 -0.145 3.843 3.960 0.046 0.000 0.668 234 G C -2.021 172.642 174.900 -0.394 0.000 1.320 234 G CA -0.177 44.705 45.100 -0.363 0.000 0.860 234 G HN 0.532 nan 8.290 nan 0.000 0.538 235 P HA 0.032 nan 4.420 nan 0.000 0.225 235 P C 1.586 178.804 177.300 -0.138 0.000 1.156 235 P CA 2.404 65.360 63.100 -0.241 0.000 0.787 235 P CB -0.069 31.419 31.700 -0.354 0.000 0.802 236 W N -1.212 119.965 121.300 -0.205 0.000 2.901 236 W HA 0.545 5.232 4.660 0.046 0.000 0.281 236 W C 1.319 177.888 176.519 0.084 0.000 1.167 236 W CA 0.484 57.787 57.345 -0.070 0.000 1.506 236 W CB -0.889 28.542 29.460 -0.048 0.000 0.985 236 W HN -0.164 nan 8.180 nan 0.000 0.590 237 A N 1.841 124.272 122.820 -0.648 0.000 2.067 237 A HA 0.113 4.461 4.320 0.046 0.000 0.217 237 A C 1.169 178.560 177.584 -0.322 0.000 1.156 237 A CA 1.804 53.510 52.037 -0.552 0.000 0.683 237 A CB -0.822 17.595 19.000 -0.971 0.000 0.808 237 A HN 0.251 nan 8.150 nan 0.000 0.455 238 T N -3.096 111.291 114.554 -0.277 0.000 2.883 238 T HA 0.625 5.003 4.350 0.046 0.000 0.296 238 T C -0.637 173.968 174.700 -0.158 0.000 1.117 238 T CA -0.115 61.844 62.100 -0.235 0.000 1.006 238 T CB 1.491 70.234 68.868 -0.209 0.000 1.191 238 T HN 0.869 nan 8.240 nan 0.000 0.508 239 V N -1.076 118.755 119.914 -0.138 0.000 3.040 239 V HA 0.902 5.049 4.120 0.046 0.000 0.312 239 V C 0.271 176.315 176.094 -0.083 0.000 1.115 239 V CA -0.936 61.303 62.300 -0.102 0.000 0.998 239 V CB 1.350 33.111 31.823 -0.102 0.000 1.042 239 V HN 1.350 nan 8.190 nan 0.000 0.433 240 S N 1.529 117.190 115.700 -0.066 0.000 2.600 240 S HA 0.591 5.089 4.470 0.046 0.000 0.265 240 S C 1.441 176.016 174.600 -0.041 0.000 1.325 240 S CA 0.078 58.248 58.200 -0.050 0.000 1.002 240 S CB 1.173 64.348 63.200 -0.043 0.000 0.921 240 S HN 1.939 nan 8.310 nan 0.000 0.554 241 A N 2.367 125.169 122.820 -0.030 0.000 1.884 241 A HA -0.001 4.346 4.320 0.046 0.000 0.219 241 A C 2.296 179.866 177.584 -0.023 0.000 1.197 241 A CA 2.127 54.151 52.037 -0.021 0.000 0.637 241 A CB -2.003 16.988 19.000 -0.014 0.000 0.827 241 A HN 1.259 nan 8.150 nan 0.000 0.450 242 G N -0.823 107.963 108.800 -0.024 0.000 2.469 242 G HA2 -0.268 3.720 3.960 0.046 0.000 0.220 242 G HA3 -0.268 3.720 3.960 0.046 0.000 0.220 242 G C 1.475 176.357 174.900 -0.030 0.000 1.136 242 G CA 1.565 46.650 45.100 -0.025 0.000 0.759 242 G HN 0.607 nan 8.290 nan 0.000 0.562 243 E N 0.739 120.916 120.200 -0.040 0.000 2.158 243 E HA 0.215 4.593 4.350 0.046 0.000 0.191 243 E C 2.604 179.166 176.600 -0.064 0.000 0.982 243 E CA 1.183 57.551 56.400 -0.054 0.000 0.823 243 E CB -0.464 29.199 29.700 -0.063 0.000 0.766 243 E HN 0.254 nan 8.360 nan 0.000 0.468 244 A N 0.910 123.700 122.820 -0.049 0.000 1.898 244 A HA -0.114 4.234 4.320 0.046 0.000 0.216 244 A C 2.284 179.870 177.584 0.004 0.000 1.181 244 A CA 1.530 53.551 52.037 -0.027 0.000 0.620 244 A CB -0.578 18.421 19.000 -0.001 0.000 0.819 244 A HN 0.251 nan 8.150 nan 0.000 0.442 245 R N -0.419 120.076 120.500 -0.008 0.000 2.103 245 R HA -0.177 4.190 4.340 0.046 0.000 0.242 245 R C 2.446 178.742 176.300 -0.006 0.000 1.142 245 R CA 1.837 57.932 56.100 -0.008 0.000 0.960 245 R CB -0.292 29.999 30.300 -0.015 0.000 0.858 245 R HN 0.534 nan 8.270 nan 0.000 0.439 246 R N 0.323 120.813 120.500 -0.017 0.000 2.075 246 R HA -0.091 4.276 4.340 0.046 0.000 0.232 246 R C 2.137 178.429 176.300 -0.013 0.000 1.126 246 R CA 1.486 57.574 56.100 -0.019 0.000 0.963 246 R CB -0.025 30.257 30.300 -0.029 0.000 0.858 246 R HN 0.271 nan 8.270 nan 0.000 0.435 247 R N -0.211 120.269 120.500 -0.033 0.000 2.090 247 R HA 0.008 4.375 4.340 0.046 0.000 0.228 247 R C 2.324 178.714 176.300 0.150 0.000 1.110 247 R CA 1.101 57.175 56.100 -0.044 0.000 0.973 247 R CB -0.235 29.872 30.300 -0.322 0.000 0.869 247 R HN 0.201 nan 8.270 nan 0.000 0.440 248 A N 0.827 123.756 122.820 0.182 0.000 1.855 248 A HA -0.134 4.214 4.320 0.046 0.000 0.215 248 A C 2.183 179.784 177.584 0.028 0.000 1.191 248 A CA 1.846 53.966 52.037 0.139 0.000 0.613 248 A CB -0.917 18.099 19.000 0.027 0.000 0.829 248 A HN 0.234 nan 8.150 nan 0.000 0.442 249 T N 0.308 114.868 114.554 0.010 0.000 2.665 249 T HA -0.194 4.183 4.350 0.046 0.000 0.268 249 T C 1.831 176.535 174.700 0.006 0.000 1.035 249 T CA 1.722 63.819 62.100 -0.005 0.000 1.151 249 T CB -0.437 68.427 68.868 -0.008 0.000 0.862 249 T HN 0.326 nan 8.240 nan 0.000 0.438 250 L N 0.811 122.048 121.223 0.024 0.000 2.093 250 L HA 0.117 4.484 4.340 0.046 0.000 0.208 250 L C 2.146 179.039 176.870 0.038 0.000 1.085 250 L CA 1.412 56.268 54.840 0.026 0.000 0.755 250 L CB -0.766 41.310 42.059 0.028 0.000 0.904 250 L HN 0.233 nan 8.230 nan 0.000 0.435 251 L N -0.574 120.697 121.223 0.080 0.000 2.109 251 L HA 0.022 4.389 4.340 0.046 0.000 0.207 251 L C 2.458 179.332 176.870 0.006 0.000 1.086 251 L CA 1.685 56.573 54.840 0.080 0.000 0.760 251 L CB -0.706 41.438 42.059 0.142 0.000 0.910 251 L HN 0.249 nan 8.230 nan 0.000 0.437 252 A N 0.157 122.968 122.820 -0.014 0.000 1.841 252 A HA -0.282 4.066 4.320 0.046 0.000 0.216 252 A C 2.527 180.096 177.584 -0.025 0.000 1.199 252 A CA 2.014 54.035 52.037 -0.026 0.000 0.621 252 A CB -0.899 18.079 19.000 -0.036 0.000 0.835 252 A HN 0.518 nan 8.150 nan 0.000 0.445 253 R N -0.244 120.241 120.500 -0.025 0.000 2.113 253 R HA -0.175 4.193 4.340 0.046 0.000 0.244 253 R C 2.058 178.321 176.300 -0.062 0.000 1.142 253 R CA 2.016 58.098 56.100 -0.031 0.000 0.953 253 R CB -0.610 29.676 30.300 -0.023 0.000 0.860 253 R HN 0.541 nan 8.270 nan 0.000 0.438 254 L N 0.919 122.083 121.223 -0.097 0.000 2.127 254 L HA -0.142 4.226 4.340 0.046 0.000 0.211 254 L C 2.077 178.768 176.870 -0.299 0.000 1.089 254 L CA 1.214 55.905 54.840 -0.249 0.000 0.757 254 L CB -0.095 41.777 42.059 -0.311 0.000 0.899 254 L HN 0.243 nan 8.230 nan 0.000 0.434 255 V N -3.887 115.960 119.914 -0.112 0.000 3.444 255 V HA 0.483 4.630 4.120 0.046 0.000 0.308 255 V C 0.972 177.072 176.094 0.011 0.000 1.371 255 V CA 0.160 62.459 62.300 -0.001 0.000 1.141 255 V CB -0.311 31.561 31.823 0.082 0.000 1.037 255 V HN 0.417 nan 8.190 nan 0.000 0.433 256 G N -0.376 108.416 108.800 -0.013 0.000 2.303 256 G HA2 -0.189 3.798 3.960 0.046 0.000 0.260 256 G HA3 -0.189 3.798 3.960 0.046 0.000 0.260 256 G C -0.120 174.784 174.900 0.005 0.000 1.106 256 G CA -0.037 45.063 45.100 0.000 0.000 0.900 256 G HN 0.716 nan 8.290 nan 0.000 0.495 266 D N 1.513 121.907 120.400 -0.009 0.000 2.087 266 D HA -0.111 4.557 4.640 0.046 0.000 0.192 266 D C 1.382 177.677 176.300 -0.008 0.000 0.993 266 D CA 2.011 56.002 54.000 -0.015 0.000 0.828 266 D CB -0.115 40.676 40.800 -0.014 0.000 0.968 266 D HN 0.637 nan 8.370 nan 0.000 0.448 267 T N 0.767 115.322 114.554 0.002 0.000 2.653 267 T HA -0.232 4.146 4.350 0.046 0.000 0.268 267 T C 1.821 176.529 174.700 0.014 0.000 1.035 267 T CA 1.748 63.855 62.100 0.011 0.000 1.154 267 T CB -0.248 68.628 68.868 0.012 0.000 0.862 267 T HN 0.309 nan 8.240 nan 0.000 0.441 268 E N 0.271 120.476 120.200 0.009 0.000 2.072 268 E HA -0.022 4.356 4.350 0.046 0.000 0.190 268 E C 2.240 178.847 176.600 0.011 0.000 0.982 268 E CA 0.506 56.913 56.400 0.011 0.000 0.803 268 E CB -0.178 29.526 29.700 0.007 0.000 0.755 268 E HN 0.428 nan 8.360 nan 0.000 0.453 269 L N 0.650 121.873 121.223 0.000 0.000 2.046 269 L HA -0.176 4.191 4.340 0.046 0.000 0.208 269 L C 2.234 179.102 176.870 -0.003 0.000 1.077 269 L CA 1.241 56.076 54.840 -0.009 0.000 0.747 269 L CB -0.109 41.934 42.059 -0.027 0.000 0.896 269 L HN 0.215 nan 8.230 nan 0.000 0.432 270 I N -0.441 120.129 120.570 0.000 0.000 2.286 270 I HA -0.230 3.967 4.170 0.046 0.000 0.245 270 I C 2.724 178.907 176.117 0.109 0.000 1.104 270 I CA 0.966 62.289 61.300 0.040 0.000 1.397 270 I CB -0.559 37.462 38.000 0.034 0.000 1.072 270 I HN 0.297 nan 8.210 nan 0.000 0.417 271 A N -0.131 122.730 122.820 0.069 0.000 1.917 271 A HA -0.337 4.011 4.320 0.046 0.000 0.219 271 A C 2.537 180.159 177.584 0.063 0.000 1.182 271 A CA 2.230 54.305 52.037 0.063 0.000 0.633 271 A CB -1.477 17.547 19.000 0.039 0.000 0.819 271 A HN 0.626 nan 8.150 nan 0.000 0.448 272 c N -0.777 117.854 118.600 0.053 0.000 2.446 272 c HA 0.020 4.617 4.570 0.046 0.000 0.277 272 c C 2.626 176.758 174.090 0.070 0.000 1.275 272 c CA 1.064 57.422 56.329 0.047 0.000 1.727 272 c CB -1.592 40.936 42.510 0.030 0.000 2.010 272 c HN 0.591 nan 8.230 nan 0.000 0.486 273 L N 0.367 121.652 121.223 0.104 0.000 2.083 273 L HA -0.100 4.267 4.340 0.046 0.000 0.209 273 L C 2.933 179.927 176.870 0.207 0.000 1.083 273 L CA 1.452 56.395 54.840 0.173 0.000 0.752 273 L CB -0.630 41.556 42.059 0.212 0.000 0.899 273 L HN 0.317 nan 8.230 nan 0.000 0.433 274 R N -0.538 120.076 120.500 0.189 0.000 2.241 274 R HA -0.113 4.255 4.340 0.046 0.000 0.224 274 R C 2.029 178.338 176.300 0.015 0.000 1.101 274 R CA 1.608 57.740 56.100 0.053 0.000 0.995 274 R CB -0.400 29.927 30.300 0.044 0.000 0.870 274 R HN 0.511 nan 8.270 nan 0.000 0.463 275 T N -1.964 112.611 114.554 0.035 0.000 3.081 275 T HA 0.134 4.511 4.350 0.046 0.000 0.250 275 T C 0.809 175.520 174.700 0.018 0.000 1.100 275 T CA -0.220 61.891 62.100 0.019 0.000 1.038 275 T CB 0.240 69.122 68.868 0.023 0.000 0.962 275 T HN -0.136 nan 8.240 nan 0.000 0.516 276 R N 2.763 123.281 120.500 0.031 0.000 2.308 276 R HA 0.404 4.771 4.340 0.046 0.000 0.305 276 R C -2.710 173.597 176.300 0.013 0.000 1.053 276 R CA -2.729 53.391 56.100 0.033 0.000 0.957 276 R CB 0.146 30.480 30.300 0.057 0.000 1.022 276 R HN 0.250 nan 8.270 nan 0.000 0.461 277 P HA -0.091 nan 4.420 nan 0.000 0.264 277 P C 0.474 177.747 177.300 -0.045 0.000 1.179 277 P CA 0.298 63.376 63.100 -0.037 0.000 0.763 277 P CB 0.452 32.141 31.700 -0.019 0.000 0.806 278 A N 3.363 126.083 122.820 -0.167 0.000 1.896 278 A HA -0.309 4.039 4.320 0.046 0.000 0.220 278 A C 2.192 179.748 177.584 -0.046 0.000 1.206 278 A CA 2.340 54.258 52.037 -0.198 0.000 0.647 278 A CB -1.380 16.974 19.000 -1.077 0.000 0.828 278 A HN 0.541 nan 8.150 nan 0.000 0.455 279 Q N -0.185 119.545 119.800 -0.116 0.000 2.291 279 Q HA -0.154 4.214 4.340 0.046 0.000 0.206 279 Q C 1.277 177.371 176.000 0.156 0.000 0.976 279 Q CA 1.882 57.797 55.803 0.187 0.000 0.875 279 Q CB -0.422 28.444 28.738 0.213 0.000 0.927 279 Q HN 0.668 nan 8.270 nan 0.000 0.450 280 D N -0.411 120.049 120.400 0.098 0.000 2.104 280 D HA -0.163 4.504 4.640 0.046 0.000 0.194 280 D C 1.749 178.125 176.300 0.128 0.000 0.994 280 D CA 1.309 55.374 54.000 0.109 0.000 0.830 280 D CB -0.214 40.645 40.800 0.098 0.000 0.959 280 D HN 0.314 nan 8.370 nan 0.000 0.452 281 L N 0.204 121.483 121.223 0.095 0.000 2.046 281 L HA -0.127 4.240 4.340 0.046 0.000 0.208 281 L C 2.521 179.416 176.870 0.042 0.000 1.077 281 L CA 0.632 55.484 54.840 0.020 0.000 0.747 281 L CB -0.573 41.391 42.059 -0.158 0.000 0.896 281 L HN -0.042 nan 8.230 nan 0.000 0.432 282 V N -0.180 119.828 119.914 0.156 0.000 2.490 282 V HA -0.277 3.871 4.120 0.046 0.000 0.250 282 V C 2.137 178.346 176.094 0.192 0.000 1.061 282 V CA 1.725 64.177 62.300 0.253 0.000 1.064 282 V CB -0.574 31.546 31.823 0.495 0.000 0.670 282 V HN 0.405 nan 8.190 nan 0.000 0.461 283 D N -0.657 119.806 120.400 0.106 0.000 2.133 283 D HA -0.165 4.502 4.640 0.046 0.000 0.195 283 D C 1.891 178.016 176.300 -0.292 0.000 0.997 283 D CA 1.474 55.432 54.000 -0.071 0.000 0.840 283 D CB -0.186 40.502 40.800 -0.186 0.000 0.947 283 D HN 0.519 nan 8.370 nan 0.000 0.452 284 H N -0.610 118.452 119.070 -0.012 0.000 2.755 284 H HA 0.146 4.730 4.556 0.046 0.000 0.273 284 H C 1.493 176.751 175.328 -0.115 0.000 1.055 284 H CA -0.055 55.927 56.048 -0.111 0.000 1.191 284 H CB 0.597 30.404 29.762 0.075 0.000 1.536 284 H HN 0.312 nan 8.280 nan 0.000 0.529 285 E N 0.683 120.874 120.200 -0.014 0.000 2.114 285 E HA -0.217 4.161 4.350 0.046 0.000 0.199 285 E C 0.717 177.162 176.600 -0.259 0.000 1.008 285 E CA 1.421 57.766 56.400 -0.092 0.000 0.810 285 E CB 0.038 29.594 29.700 -0.239 0.000 0.739 285 E HN 0.438 nan 8.360 nan 0.000 0.456 286 W N -0.755 120.451 121.300 -0.155 0.000 3.256 286 W HA 0.108 4.795 4.660 0.046 0.000 0.269 286 W C 0.809 177.342 176.519 0.023 0.000 1.310 286 W CA 0.048 57.312 57.345 -0.135 0.000 1.673 286 W CB 0.267 29.591 29.460 -0.226 0.000 1.115 286 W HN 0.201 nan 8.180 nan 0.000 0.686 287 H N -0.542 118.664 119.070 0.227 0.000 2.507 287 H HA 0.095 4.678 4.556 0.046 0.000 0.294 287 H C 1.614 177.004 175.328 0.103 0.000 1.064 287 H CA 0.071 56.226 56.048 0.178 0.000 1.138 287 H CB 0.285 30.179 29.762 0.220 0.000 1.515 287 H HN 0.120 nan 8.280 nan 0.000 0.547 288 V N -2.299 117.699 119.914 0.140 0.000 3.605 288 V HA 0.227 4.374 4.120 0.046 0.000 0.284 288 V C 0.468 176.544 176.094 -0.029 0.000 1.386 288 V CA -0.250 62.069 62.300 0.030 0.000 1.053 288 V CB -0.062 31.737 31.823 -0.041 0.000 0.857 288 V HN 0.129 nan 8.190 nan 0.000 0.436 289 L N 2.759 123.985 121.223 0.005 0.000 2.453 289 L HA 0.241 4.609 4.340 0.046 0.000 0.272 289 L C -0.400 176.477 176.870 0.013 0.000 1.182 289 L CA -0.946 53.893 54.840 -0.003 0.000 0.858 289 L CB 0.646 42.740 42.059 0.059 0.000 1.120 289 L HN 0.150 nan 8.230 nan 0.000 0.474 290 P HA -0.101 nan 4.420 nan 0.000 0.221 290 P C -0.203 177.103 177.300 0.010 0.000 1.150 290 P CA 1.128 64.226 63.100 -0.003 0.000 0.800 290 P CB 0.436 32.126 31.700 -0.016 0.000 0.787 291 Q N -1.258 118.552 119.800 0.017 0.000 2.456 291 Q HA 0.320 4.687 4.340 0.046 0.000 0.284 291 Q C -0.656 175.365 176.000 0.035 0.000 1.061 291 Q CA -0.723 55.093 55.803 0.022 0.000 0.799 291 Q CB 1.582 30.328 28.738 0.014 0.000 1.445 291 Q HN -0.051 nan 8.270 nan 0.000 0.411 292 E N 1.178 121.399 120.200 0.035 0.000 2.415 292 E HA 0.277 4.655 4.350 0.046 0.000 0.260 292 E C -1.169 175.451 176.600 0.034 0.000 1.016 292 E CA 0.160 56.584 56.400 0.041 0.000 0.924 292 E CB 0.263 29.983 29.700 0.035 0.000 0.961 292 E HN 0.576 nan 8.360 nan 0.000 0.459 293 S N 4.163 119.885 115.700 0.038 0.000 2.548 293 S HA 0.385 4.882 4.470 0.046 0.000 0.278 293 S C -0.275 174.335 174.600 0.018 0.000 1.150 293 S CA -1.065 57.150 58.200 0.023 0.000 0.907 293 S CB 0.312 63.519 63.200 0.012 0.000 1.108 293 S HN 0.559 nan 8.310 nan 0.000 0.459 294 I N -0.920 119.663 120.570 0.022 0.000 2.797 294 I HA 0.749 4.947 4.170 0.046 0.000 0.310 294 I C 0.327 176.421 176.117 -0.039 0.000 0.990 294 I CA -0.860 60.462 61.300 0.037 0.000 1.228 294 I CB 0.145 38.215 38.000 0.118 0.000 1.406 294 I HN 0.767 nan 8.210 nan 0.000 0.534 295 F N 1.429 121.186 119.950 -0.323 0.000 3.090 295 F HA -0.226 4.328 4.527 0.045 0.000 0.282 295 F C 0.088 175.293 175.800 -0.991 0.000 0.923 295 F CA 0.933 58.443 58.000 -0.818 0.000 0.977 295 F CB -0.907 37.487 39.000 -1.009 0.000 0.954 295 F HN 0.686 nan 8.300 nan 0.000 0.695 296 R N 0.163 120.200 120.500 -0.771 0.000 2.725 296 R HA 0.759 5.127 4.340 0.046 0.000 0.277 296 R C -1.565 174.408 176.300 -0.544 0.000 0.987 296 R CA -0.427 55.333 56.100 -0.567 0.000 0.901 296 R CB 1.171 31.377 30.300 -0.157 0.000 1.207 296 R HN -0.049 nan 8.270 nan 0.000 0.463 297 F N 0.492 120.583 119.950 0.235 0.000 2.581 297 F HA 0.349 4.903 4.527 0.046 0.000 0.311 297 F C 0.991 176.734 175.800 -0.095 0.000 1.113 297 F CA -0.876 57.216 58.000 0.152 0.000 0.935 297 F CB 2.344 41.556 39.000 0.354 0.000 1.232 297 F HN 0.469 nan 8.300 nan 0.000 0.445 298 S N 0.937 116.513 115.700 -0.207 0.000 2.355 298 S HA -0.006 4.492 4.470 0.046 0.000 0.222 298 S C 0.027 174.208 174.600 -0.698 0.000 1.031 298 S CA 1.207 59.104 58.200 -0.506 0.000 0.993 298 S CB -0.178 62.647 63.200 -0.626 0.000 0.859 298 S HN 0.358 nan 8.310 nan 0.000 0.453 299 F N 1.535 121.471 119.950 -0.024 0.000 2.434 299 F HA 0.553 5.108 4.527 0.046 0.000 0.355 299 F C -0.063 175.746 175.800 0.014 0.000 1.115 299 F CA -0.938 57.084 58.000 0.036 0.000 1.010 299 F CB 1.399 40.441 39.000 0.070 0.000 1.234 299 F HN -0.088 nan 8.300 nan 0.000 0.439 300 V N 0.911 120.789 119.914 -0.060 0.000 3.158 300 V HA 0.768 4.916 4.120 0.046 0.000 0.311 300 V C -2.905 172.833 176.094 -0.592 0.000 1.181 300 V CA -3.339 58.616 62.300 -0.575 0.000 1.054 300 V CB 2.055 33.714 31.823 -0.275 0.000 1.085 300 V HN 0.262 nan 8.190 nan 0.000 0.446 301 P HA 0.143 nan 4.420 nan 0.000 0.266 301 P C -0.776 176.369 177.300 -0.258 0.000 1.186 301 P CA 0.421 63.222 63.100 -0.498 0.000 0.767 301 P CB 0.541 31.837 31.700 -0.674 0.000 0.820 302 V N 4.595 124.434 119.914 -0.125 0.000 2.555 302 V HA 0.217 4.365 4.120 0.046 0.000 0.302 302 V C -0.386 175.675 176.094 -0.055 0.000 1.038 302 V CA -0.895 61.360 62.300 -0.075 0.000 0.887 302 V CB 2.109 33.918 31.823 -0.022 0.000 0.991 302 V HN 0.127 nan 8.190 nan 0.000 0.434 303 V N 7.308 127.191 119.914 -0.051 0.000 2.364 303 V HA 0.171 4.319 4.120 0.046 0.000 0.252 303 V C 0.759 176.850 176.094 -0.005 0.000 1.075 303 V CA 0.335 62.620 62.300 -0.025 0.000 1.033 303 V CB 0.314 32.116 31.823 -0.036 0.000 1.116 303 V HN 1.054 nan 8.190 nan 0.000 0.488 304 D N 2.759 123.171 120.400 0.020 0.000 2.379 304 D HA 0.137 4.805 4.640 0.046 0.000 0.208 304 D C 1.560 177.878 176.300 0.030 0.000 1.065 304 D CA 0.597 54.613 54.000 0.027 0.000 0.848 304 D CB 0.473 41.301 40.800 0.047 0.000 0.949 304 D HN 0.654 nan 8.370 nan 0.000 0.509 305 G N 0.789 109.607 108.800 0.029 0.000 2.196 305 G HA2 -0.372 3.615 3.960 0.046 0.000 0.268 305 G HA3 -0.372 3.615 3.960 0.046 0.000 0.268 305 G C 0.542 175.461 174.900 0.032 0.000 0.975 305 G CA 0.974 46.088 45.100 0.023 0.000 0.648 305 G HN 0.548 nan 8.290 nan 0.000 0.538 306 D N -1.326 119.109 120.400 0.058 0.000 2.949 306 D HA 0.243 4.911 4.640 0.046 0.000 0.247 306 D C 1.855 178.211 176.300 0.094 0.000 1.552 306 D CA 0.454 54.495 54.000 0.069 0.000 1.231 306 D CB -0.550 40.300 40.800 0.083 0.000 0.990 306 D HN 0.099 nan 8.370 nan 0.000 0.270 307 F N 0.880 120.831 119.950 0.001 0.000 2.095 307 F HA 0.132 4.686 4.527 0.046 0.000 0.298 307 F C 0.499 176.292 175.800 -0.012 0.000 1.104 307 F CA 1.205 59.205 58.000 -0.000 0.000 1.232 307 F CB 0.099 39.096 39.000 -0.005 0.000 0.987 307 F HN -0.014 nan 8.300 nan 0.000 0.475 308 L N 0.762 122.148 121.223 0.271 0.000 2.295 308 L HA 0.208 4.576 4.340 0.046 0.000 0.281 308 L C 1.413 178.321 176.870 0.063 0.000 1.018 308 L CA -0.176 54.749 54.840 0.142 0.000 0.841 308 L CB 1.352 43.484 42.059 0.122 0.000 1.218 308 L HN 0.065 nan 8.230 nan 0.000 0.424 309 S N 0.479 116.196 115.700 0.028 0.000 2.399 309 S HA -0.054 4.443 4.470 0.046 0.000 0.231 309 S C 0.558 175.162 174.600 0.006 0.000 1.022 309 S CA 0.778 58.984 58.200 0.010 0.000 0.983 309 S CB 0.152 63.348 63.200 -0.006 0.000 0.803 309 S HN 0.681 nan 8.310 nan 0.000 0.480 310 D N 0.138 120.542 120.400 0.007 0.000 2.798 310 D HA 0.375 5.042 4.640 0.046 0.000 0.308 310 D C -0.635 175.662 176.300 -0.005 0.000 1.187 310 D CA 0.030 54.029 54.000 -0.002 0.000 1.033 310 D CB 1.564 42.361 40.800 -0.004 0.000 1.445 310 D HN 0.285 nan 8.370 nan 0.000 0.550 311 T N -1.253 113.291 114.554 -0.016 0.000 2.900 311 T HA 0.244 4.622 4.350 0.046 0.000 0.307 311 T C -1.856 172.829 174.700 -0.024 0.000 1.065 311 T CA -0.837 61.245 62.100 -0.031 0.000 1.105 311 T CB 1.090 69.932 68.868 -0.042 0.000 0.979 311 T HN 0.074 nan 8.240 nan 0.000 0.544 312 P HA -0.089 nan 4.420 nan 0.000 0.216 312 P C 1.378 178.664 177.300 -0.023 0.000 1.150 312 P CA 1.020 64.098 63.100 -0.036 0.000 0.843 312 P CB 0.072 31.719 31.700 -0.089 0.000 0.787 313 E N -0.294 119.881 120.200 -0.041 0.000 2.033 313 E HA -0.191 4.187 4.350 0.046 0.000 0.199 313 E C 2.191 178.791 176.600 0.000 0.000 1.011 313 E CA 1.807 58.191 56.400 -0.027 0.000 0.815 313 E CB -1.223 28.453 29.700 -0.039 0.000 0.755 313 E HN 0.108 nan 8.360 nan 0.000 0.451 314 A N 0.407 123.226 122.820 -0.003 0.000 1.908 314 A HA -0.186 4.162 4.320 0.046 0.000 0.218 314 A C 2.226 179.825 177.584 0.025 0.000 1.181 314 A CA 1.378 53.419 52.037 0.006 0.000 0.627 314 A CB -0.701 18.297 19.000 -0.004 0.000 0.818 314 A HN 0.217 nan 8.150 nan 0.000 0.445 315 L N -0.339 120.906 121.223 0.037 0.000 2.109 315 L HA -0.099 4.268 4.340 0.046 0.000 0.207 315 L C 2.553 179.522 176.870 0.166 0.000 1.086 315 L CA 1.442 56.325 54.840 0.071 0.000 0.760 315 L CB -0.509 41.593 42.059 0.073 0.000 0.910 315 L HN 0.693 nan 8.230 nan 0.000 0.437 316 I N -3.344 117.329 120.570 0.171 0.000 2.716 316 I HA -0.073 4.124 4.170 0.046 0.000 0.259 316 I C 1.951 178.209 176.117 0.235 0.000 1.172 316 I CA 0.934 62.397 61.300 0.272 0.000 1.478 316 I CB -0.358 37.692 38.000 0.083 0.000 1.104 316 I HN 0.131 nan 8.210 nan 0.000 0.439 317 N N 1.621 120.392 118.700 0.118 0.000 2.244 317 N HA -0.131 4.636 4.740 0.046 0.000 0.183 317 N C 1.939 177.490 175.510 0.069 0.000 1.016 317 N CA 2.266 55.366 53.050 0.083 0.000 0.866 317 N CB -0.334 38.179 38.487 0.042 0.000 0.980 317 N HN 0.691 nan 8.380 nan 0.000 0.430 318 T N -3.543 111.036 114.554 0.042 0.000 2.985 318 T HA 0.274 4.652 4.350 0.046 0.000 0.254 318 T C 1.039 175.674 174.700 -0.108 0.000 1.021 318 T CA -0.158 61.930 62.100 -0.020 0.000 0.957 318 T CB -0.044 68.807 68.868 -0.028 0.000 1.047 318 T HN 0.053 nan 8.240 nan 0.000 0.511 319 G N 1.155 109.853 108.800 -0.170 0.000 2.614 319 G HA2 0.365 4.353 3.960 0.046 0.000 0.239 319 G HA3 0.365 4.353 3.960 0.046 0.000 0.239 319 G C -0.963 173.448 174.900 -0.815 0.000 1.240 319 G CA -0.307 44.433 45.100 -0.599 0.000 0.842 319 G HN 0.395 nan 8.290 nan 0.000 0.584 320 D N -0.160 119.744 120.400 -0.827 0.000 2.414 320 D HA 0.394 5.062 4.640 0.046 0.000 0.232 320 D C -0.372 175.594 176.300 -0.555 0.000 1.070 320 D CA -0.710 52.972 54.000 -0.530 0.000 0.839 320 D CB 0.582 41.227 40.800 -0.258 0.000 1.079 320 D HN 0.092 nan 8.370 nan 0.000 0.521 321 F N 1.980 121.932 119.950 0.003 0.000 2.772 321 F HA 0.228 4.782 4.527 0.046 0.000 0.302 321 F C 2.031 177.836 175.800 0.008 0.000 1.136 321 F CA -0.379 57.626 58.000 0.009 0.000 1.322 321 F CB 0.236 39.250 39.000 0.023 0.000 0.967 321 F HN 0.378 nan 8.300 nan 0.000 0.513 322 Q N 0.153 120.010 119.800 0.096 0.000 2.050 322 Q HA -0.138 4.229 4.340 0.046 0.000 0.202 322 Q C 0.135 176.171 176.000 0.061 0.000 0.980 322 Q CA 1.272 57.115 55.803 0.066 0.000 0.840 322 Q CB -0.041 28.710 28.738 0.021 0.000 0.898 322 Q HN 0.282 nan 8.270 nan 0.000 0.424 323 D N 0.516 120.943 120.400 0.046 0.000 2.973 323 D HA 0.289 4.957 4.640 0.046 0.000 0.263 323 D C -0.906 175.423 176.300 0.048 0.000 1.266 323 D CA 0.029 54.050 54.000 0.034 0.000 0.975 323 D CB 0.076 40.883 40.800 0.010 0.000 1.032 323 D HN -0.017 nan 8.370 nan 0.000 0.510 324 L N 1.087 122.358 121.223 0.081 0.000 2.493 324 L HA 0.323 4.691 4.340 0.046 0.000 0.265 324 L C -1.511 175.430 176.870 0.118 0.000 0.954 324 L CA -0.490 54.413 54.840 0.104 0.000 0.844 324 L CB 2.196 44.348 42.059 0.156 0.000 1.302 324 L HN -0.192 nan 8.230 nan 0.000 0.405 325 Q N 3.176 123.057 119.800 0.135 0.000 2.293 325 Q HA 0.815 5.183 4.340 0.046 0.000 0.261 325 Q C -1.334 174.908 176.000 0.403 0.000 0.960 325 Q CA -0.456 55.481 55.803 0.223 0.000 0.882 325 Q CB 2.580 31.389 28.738 0.117 0.000 1.275 325 Q HN 0.480 nan 8.270 nan 0.000 0.445 326 V N 2.683 122.821 119.914 0.373 0.000 2.686 326 V HA 0.452 4.599 4.120 0.046 0.000 0.306 326 V C -1.404 174.674 176.094 -0.026 0.000 1.065 326 V CA -0.888 61.548 62.300 0.228 0.000 0.894 326 V CB 1.931 33.784 31.823 0.050 0.000 1.004 326 V HN 0.611 nan 8.190 nan 0.000 0.424 327 L N 7.123 128.080 121.223 -0.443 0.000 2.296 327 L HA 0.887 5.254 4.340 0.046 0.000 0.286 327 L C -0.433 176.276 176.870 -0.269 0.000 1.023 327 L CA -0.057 54.415 54.840 -0.613 0.000 0.812 327 L CB 1.576 42.794 42.059 -1.401 0.000 1.223 327 L HN 0.601 nan 8.230 nan 0.000 0.421 328 V N 2.115 121.929 119.914 -0.167 0.000 2.962 328 V HA 1.120 5.268 4.120 0.046 0.000 0.313 328 V C -0.131 175.665 176.094 -0.497 0.000 1.099 328 V CA 0.130 62.308 62.300 -0.203 0.000 0.971 328 V CB 1.089 32.781 31.823 -0.218 0.000 1.028 328 V HN 1.050 nan 8.190 nan 0.000 0.430 329 G N 0.743 109.097 108.800 -0.742 0.000 2.488 329 G HA2 0.818 4.806 3.960 0.046 0.000 0.301 329 G HA3 0.818 4.806 3.960 0.046 0.000 0.301 329 G C -1.164 173.412 174.900 -0.540 0.000 1.339 329 G CA 0.067 44.363 45.100 -1.340 0.000 0.803 329 G HN 2.041 nan 8.290 nan 0.000 0.482 330 V N -2.670 117.089 119.914 -0.259 0.000 3.182 330 V HA 0.931 5.079 4.120 0.046 0.000 0.308 330 V C 0.084 176.372 176.094 0.322 0.000 1.240 330 V CA -0.398 61.952 62.300 0.084 0.000 1.063 330 V CB 1.128 32.971 31.823 0.034 0.000 1.076 330 V HN 1.848 nan 8.190 nan 0.000 0.446 331 V N -1.294 118.814 119.914 0.323 0.000 2.975 331 V HA 0.596 4.743 4.120 0.046 0.000 0.318 331 V C 1.299 177.582 176.094 0.314 0.000 1.077 331 V CA -0.121 62.424 62.300 0.408 0.000 1.000 331 V CB 1.407 33.462 31.823 0.386 0.000 1.066 331 V HN 1.079 nan 8.190 nan 0.000 0.452 332 K N -0.216 120.372 120.400 0.312 0.000 2.147 332 K HA -0.069 4.279 4.320 0.046 0.000 0.205 332 K C 0.202 176.928 176.600 0.211 0.000 1.049 332 K CA 1.818 58.243 56.287 0.230 0.000 0.936 332 K CB 0.099 32.714 32.500 0.190 0.000 0.722 332 K HN 0.898 nan 8.250 nan 0.000 0.446 333 D N 0.996 121.533 120.400 0.228 0.000 2.613 333 D HA 0.031 4.698 4.640 0.046 0.000 0.312 333 D C 0.064 176.511 176.300 0.243 0.000 1.202 333 D CA -0.099 54.029 54.000 0.212 0.000 0.825 333 D CB 1.317 42.222 40.800 0.176 0.000 1.113 333 D HN 0.109 nan 8.370 nan 0.000 0.502 334 E N 0.466 120.818 120.200 0.254 0.000 2.171 334 E HA -0.130 4.248 4.350 0.046 0.000 0.197 334 E C 1.844 178.649 176.600 0.342 0.000 0.997 334 E CA 0.796 57.385 56.400 0.314 0.000 0.810 334 E CB 0.194 30.038 29.700 0.241 0.000 0.738 334 E HN 0.435 nan 8.360 nan 0.000 0.467 335 G N 0.593 109.553 108.800 0.266 0.000 2.986 335 G HA2 -0.083 3.904 3.960 0.046 0.000 0.213 335 G HA3 -0.083 3.904 3.960 0.046 0.000 0.213 335 G C 1.632 176.722 174.900 0.316 0.000 1.156 335 G CA 0.626 45.900 45.100 0.289 0.000 0.763 335 G HN 0.328 nan 8.290 nan 0.000 0.547 336 S N 0.217 116.063 115.700 0.244 0.000 2.343 336 S HA -0.220 4.278 4.470 0.046 0.000 0.219 336 S C 2.055 176.693 174.600 0.065 0.000 1.033 336 S CA 1.240 59.538 58.200 0.164 0.000 1.014 336 S CB -0.928 62.271 63.200 -0.002 0.000 0.915 336 S HN 0.351 nan 8.310 nan 0.000 0.435 337 Y N 1.728 121.901 120.300 -0.212 0.000 2.096 337 Y HA -0.309 4.268 4.550 0.045 0.000 0.276 337 Y C 1.955 177.681 175.900 -0.290 0.000 1.209 337 Y CA 2.348 60.165 58.100 -0.472 0.000 1.137 337 Y CB -0.601 37.456 38.460 -0.672 0.000 0.956 337 Y HN 0.302 nan 8.280 nan 0.000 0.506 338 F N -0.999 119.045 119.950 0.158 0.000 2.259 338 F HA -0.144 4.410 4.527 0.045 0.000 0.298 338 F C 2.053 177.935 175.800 0.137 0.000 1.088 338 F CA 0.893 58.958 58.000 0.109 0.000 1.358 338 F CB -0.596 38.385 39.000 -0.032 0.000 1.040 338 F HN -0.015 nan 8.300 nan 0.000 0.505 339 L N 0.083 121.438 121.223 0.221 0.000 2.042 339 L HA -0.200 4.167 4.340 0.046 0.000 0.210 339 L C 2.456 179.435 176.870 0.181 0.000 1.076 339 L CA 1.333 56.182 54.840 0.015 0.000 0.749 339 L CB -1.108 40.717 42.059 -0.389 0.000 0.893 339 L HN 0.189 nan 8.230 nan 0.000 0.432 340 V N -4.377 115.721 119.914 0.306 0.000 3.305 340 V HA -0.189 3.958 4.120 0.046 0.000 0.269 340 V C 1.046 177.203 176.094 0.106 0.000 1.157 340 V CA 0.888 63.368 62.300 0.301 0.000 1.157 340 V CB -1.237 30.802 31.823 0.359 0.000 0.772 340 V HN 0.307 nan 8.190 nan 0.000 0.498 341 Y N 2.032 122.395 120.300 0.105 0.000 2.882 341 Y HA 0.649 5.227 4.550 0.045 0.000 0.361 341 Y C 1.515 177.429 175.900 0.023 0.000 1.058 341 Y CA 0.029 58.156 58.100 0.044 0.000 1.575 341 Y CB 0.269 38.747 38.460 0.029 0.000 1.383 341 Y HN 0.419 nan 8.280 nan 0.000 0.515 342 G N -0.777 108.098 108.800 0.125 0.000 2.155 342 G HA2 -0.155 3.832 3.960 0.046 0.000 0.130 342 G HA3 -0.155 3.832 3.960 0.046 0.000 0.130 342 G C -0.781 174.182 174.900 0.105 0.000 1.027 342 G CA -0.459 44.695 45.100 0.090 0.000 0.705 342 G HN 0.069 nan 8.290 nan 0.000 0.496 343 V N 1.882 121.882 119.914 0.144 0.000 2.333 343 V HA 0.411 4.558 4.120 0.046 0.000 0.274 343 V C -1.766 174.507 176.094 0.298 0.000 1.028 343 V CA -1.794 60.612 62.300 0.177 0.000 0.851 343 V CB 1.309 33.174 31.823 0.069 0.000 1.000 343 V HN 0.103 nan 8.190 nan 0.000 0.456 344 P HA 0.206 nan 4.420 nan 0.000 0.262 344 P C 1.039 178.441 177.300 0.170 0.000 1.182 344 P CA 1.389 64.581 63.100 0.154 0.000 0.761 344 P CB 0.578 32.335 31.700 0.095 0.000 0.795 345 G N 1.489 110.319 108.800 0.050 0.000 2.218 345 G HA2 -0.203 3.785 3.960 0.046 0.000 0.216 345 G HA3 -0.203 3.785 3.960 0.046 0.000 0.216 345 G C -0.231 174.432 174.900 -0.394 0.000 0.994 345 G CA -0.629 44.361 45.100 -0.184 0.000 0.637 345 G HN 0.396 nan 8.290 nan 0.000 0.505 346 F N 1.590 121.540 119.950 0.001 0.000 2.436 346 F HA 0.793 5.347 4.527 0.045 0.000 0.340 346 F C 0.505 176.390 175.800 0.142 0.000 1.113 346 F CA -0.236 57.783 58.000 0.031 0.000 1.022 346 F CB 2.336 41.405 39.000 0.115 0.000 1.128 346 F HN 0.181 nan 8.300 nan 0.000 0.466 347 S N 1.982 117.894 115.700 0.352 0.000 2.537 347 S HA 0.276 4.774 4.470 0.046 0.000 0.271 347 S C 0.296 175.165 174.600 0.447 0.000 1.148 347 S CA -0.892 57.519 58.200 0.351 0.000 0.868 347 S CB 1.317 64.627 63.200 0.184 0.000 1.115 347 S HN 0.756 nan 8.310 nan 0.000 0.461 348 K N 1.641 122.204 120.400 0.271 0.000 2.283 348 K HA 0.029 4.377 4.320 0.046 0.000 0.202 348 K C 0.368 176.973 176.600 0.008 0.000 1.048 348 K CA 1.362 57.709 56.287 0.100 0.000 0.948 348 K CB -0.139 32.120 32.500 -0.403 0.000 0.742 348 K HN 0.456 nan 8.250 nan 0.000 0.458 349 D N 1.020 121.406 120.400 -0.024 0.000 2.240 349 D HA -0.042 4.625 4.640 0.046 0.000 0.206 349 D C 0.424 176.730 176.300 0.009 0.000 0.963 349 D CA 0.746 54.705 54.000 -0.068 0.000 0.863 349 D CB -0.026 40.726 40.800 -0.081 0.000 0.973 349 D HN 0.493 nan 8.370 nan 0.000 0.501 350 N N -0.416 118.317 118.700 0.054 0.000 2.879 350 N HA 0.124 4.891 4.740 0.046 0.000 0.329 350 N C 0.470 176.019 175.510 0.064 0.000 1.337 350 N CA -0.514 52.553 53.050 0.027 0.000 0.844 350 N CB 0.492 38.958 38.487 -0.035 0.000 1.236 350 N HN -0.301 nan 8.380 nan 0.000 0.601 351 E N -1.057 119.110 120.200 -0.055 0.000 2.478 351 E HA 0.079 4.457 4.350 0.046 0.000 0.194 351 E C -0.535 175.707 176.600 -0.597 0.000 1.045 351 E CA 0.051 56.358 56.400 -0.155 0.000 0.868 351 E CB -0.136 29.511 29.700 -0.088 0.000 0.885 351 E HN 0.559 nan 8.360 nan 0.000 0.505 352 S N 0.349 115.717 115.700 -0.553 0.000 3.614 352 S HA -0.199 4.299 4.470 0.046 0.000 0.360 352 S C 0.138 174.277 174.600 -0.768 0.000 1.023 352 S CA 0.170 57.895 58.200 -0.791 0.000 1.114 352 S CB -1.750 60.723 63.200 -1.213 0.000 0.907 352 S HN 0.310 nan 8.310 nan 0.000 0.470 353 L N 1.771 122.711 121.223 -0.471 0.000 2.456 353 L HA 0.342 4.709 4.340 0.046 0.000 0.277 353 L C 0.917 177.588 176.870 -0.331 0.000 1.124 353 L CA -0.147 54.487 54.840 -0.343 0.000 0.880 353 L CB -0.087 41.844 42.059 -0.213 0.000 1.192 353 L HN 0.438 nan 8.230 nan 0.000 0.463 354 I N 0.288 120.654 120.570 -0.341 0.000 2.934 354 I HA 0.587 4.785 4.170 0.046 0.000 0.315 354 I C 0.734 176.783 176.117 -0.113 0.000 0.997 354 I CA -0.569 60.582 61.300 -0.248 0.000 1.184 354 I CB 1.471 39.337 38.000 -0.223 0.000 1.400 354 I HN 0.558 nan 8.210 nan 0.000 0.549 355 S N 1.746 117.415 115.700 -0.053 0.000 2.730 355 S HA 0.412 4.910 4.470 0.046 0.000 0.284 355 S C 0.903 175.532 174.600 0.047 0.000 1.153 355 S CA -0.589 57.604 58.200 -0.013 0.000 0.995 355 S CB 1.646 64.843 63.200 -0.004 0.000 1.058 355 S HN 0.833 nan 8.310 nan 0.000 0.552 356 R N 0.269 120.798 120.500 0.049 0.000 2.081 356 R HA -0.040 4.327 4.340 0.046 0.000 0.235 356 R C 2.341 178.745 176.300 0.174 0.000 1.131 356 R CA 1.744 57.910 56.100 0.109 0.000 0.960 356 R CB -1.183 29.159 30.300 0.070 0.000 0.856 356 R HN 0.815 nan 8.270 nan 0.000 0.436 357 A N 0.488 123.373 122.820 0.109 0.000 1.902 357 A HA -0.211 4.136 4.320 0.046 0.000 0.217 357 A C 2.070 179.718 177.584 0.105 0.000 1.181 357 A CA 1.581 53.675 52.037 0.095 0.000 0.623 357 A CB -0.554 18.482 19.000 0.060 0.000 0.818 357 A HN 0.533 nan 8.150 nan 0.000 0.443 358 Q N -1.866 117.999 119.800 0.109 0.000 2.181 358 Q HA -0.179 4.188 4.340 0.046 0.000 0.205 358 Q C 1.849 177.972 176.000 0.205 0.000 0.980 358 Q CA 1.661 57.539 55.803 0.125 0.000 0.862 358 Q CB -0.298 28.489 28.738 0.081 0.000 0.905 358 Q HN 0.817 nan 8.270 nan 0.000 0.429 359 F N 0.730 120.728 119.950 0.080 0.000 2.163 359 F HA -0.133 4.426 4.527 0.053 0.000 0.297 359 F C 1.658 177.508 175.800 0.084 0.000 1.094 359 F CA 0.881 58.941 58.000 0.100 0.000 1.290 359 F CB 0.149 39.192 39.000 0.073 0.000 1.017 359 F HN -0.052 nan 8.300 nan 0.000 0.483 360 L N 0.044 121.245 121.223 -0.037 0.000 2.056 360 L HA -0.107 4.261 4.340 0.046 0.000 0.207 360 L C 2.826 179.633 176.870 -0.105 0.000 1.078 360 L CA 1.046 55.807 54.840 -0.133 0.000 0.749 360 L CB -1.511 40.555 42.059 0.012 0.000 0.901 360 L HN 0.212 nan 8.230 nan 0.000 0.433 361 A N 0.880 123.685 122.820 -0.024 0.000 1.898 361 A HA -0.070 4.278 4.320 0.046 0.000 0.216 361 A C 2.441 180.016 177.584 -0.014 0.000 1.181 361 A CA 1.561 53.596 52.037 -0.003 0.000 0.620 361 A CB -1.211 17.809 19.000 0.033 0.000 0.819 361 A HN 0.421 nan 8.150 nan 0.000 0.442 362 G N -0.506 108.292 108.800 -0.004 0.000 2.442 362 G HA2 -0.146 3.841 3.960 0.046 0.000 0.219 362 G HA3 -0.146 3.841 3.960 0.046 0.000 0.219 362 G C 1.450 176.293 174.900 -0.095 0.000 1.141 362 G CA 1.301 46.402 45.100 0.001 0.000 0.763 362 G HN 0.336 nan 8.290 nan 0.000 0.554 363 V N 0.829 120.612 119.914 -0.218 0.000 2.548 363 V HA -0.062 4.085 4.120 0.046 0.000 0.249 363 V C 2.796 178.829 176.094 -0.102 0.000 1.055 363 V CA 1.281 63.451 62.300 -0.216 0.000 1.065 363 V CB -0.326 31.285 31.823 -0.354 0.000 0.681 363 V HN 0.217 nan 8.190 nan 0.000 0.462 364 R N -0.254 120.202 120.500 -0.074 0.000 2.235 364 R HA 0.134 4.502 4.340 0.046 0.000 0.213 364 R C 1.869 178.158 176.300 -0.018 0.000 1.059 364 R CA 0.997 57.075 56.100 -0.035 0.000 0.997 364 R CB -0.525 29.762 30.300 -0.020 0.000 0.884 364 R HN 0.475 nan 8.270 nan 0.000 0.462 365 I N -0.980 119.579 120.570 -0.018 0.000 2.731 365 I HA 0.021 4.218 4.170 0.046 0.000 0.260 365 I C 2.205 178.321 176.117 -0.002 0.000 1.138 365 I CA 0.911 62.211 61.300 0.001 0.000 1.461 365 I CB -0.295 37.714 38.000 0.015 0.000 1.128 365 I HN 0.131 nan 8.210 nan 0.000 0.438 366 G N 0.614 109.402 108.800 -0.020 0.000 2.421 366 G HA2 -0.051 3.936 3.960 0.046 0.000 0.217 366 G HA3 -0.051 3.936 3.960 0.046 0.000 0.217 366 G C 0.833 175.734 174.900 0.002 0.000 1.143 366 G CA 0.484 45.575 45.100 -0.015 0.000 0.784 366 G HN 0.214 nan 8.290 nan 0.000 0.541 367 V N 2.109 122.001 119.914 -0.038 0.000 2.271 367 V HA 0.231 4.378 4.120 0.046 0.000 0.259 367 V C -1.489 174.590 176.094 -0.025 0.000 1.030 367 V CA -1.111 61.132 62.300 -0.095 0.000 0.957 367 V CB 1.529 33.267 31.823 -0.141 0.000 1.186 367 V HN 0.109 nan 8.190 nan 0.000 0.471 368 P HA -0.079 nan 4.420 nan 0.000 0.225 368 P C 1.076 178.384 177.300 0.013 0.000 1.156 368 P CA 0.816 63.923 63.100 0.012 0.000 0.787 368 P CB 0.643 32.353 31.700 0.018 0.000 0.802 369 Q N -0.124 119.692 119.800 0.027 0.000 2.472 369 Q HA 0.204 4.571 4.340 0.046 0.000 0.208 369 Q C 0.907 176.909 176.000 0.004 0.000 0.958 369 Q CA 0.129 55.945 55.803 0.021 0.000 0.932 369 Q CB -0.627 28.139 28.738 0.047 0.000 1.007 369 Q HN 0.190 nan 8.270 nan 0.000 0.508 370 A N 0.591 123.408 122.820 -0.005 0.000 2.401 370 A HA 0.459 4.806 4.320 0.046 0.000 0.259 370 A C 0.382 177.960 177.584 -0.011 0.000 1.103 370 A CA -0.298 51.731 52.037 -0.015 0.000 0.789 370 A CB 0.256 19.245 19.000 -0.019 0.000 1.035 370 A HN 0.340 nan 8.150 nan 0.000 0.491 371 S N 1.789 117.480 115.700 -0.015 0.000 2.606 371 S HA 0.099 4.596 4.470 0.046 0.000 0.257 371 S C 0.422 175.023 174.600 0.002 0.000 1.327 371 S CA 0.100 58.295 58.200 -0.009 0.000 0.984 371 S CB 0.371 63.562 63.200 -0.015 0.000 0.941 371 S HN 0.641 nan 8.310 nan 0.000 0.576 372 D N 0.085 120.490 120.400 0.007 0.000 2.123 372 D HA -0.096 4.571 4.640 0.046 0.000 0.196 372 D C 1.817 178.135 176.300 0.030 0.000 0.992 372 D CA 0.925 54.935 54.000 0.017 0.000 0.833 372 D CB -0.473 40.337 40.800 0.018 0.000 0.954 372 D HN 0.395 nan 8.370 nan 0.000 0.455 373 L N 1.185 122.425 121.223 0.028 0.000 2.017 373 L HA -0.088 4.280 4.340 0.046 0.000 0.208 373 L C 2.186 179.095 176.870 0.065 0.000 1.073 373 L CA 1.867 56.735 54.840 0.047 0.000 0.745 373 L CB -0.997 41.084 42.059 0.036 0.000 0.894 373 L HN -0.023 nan 8.230 nan 0.000 0.432 374 A N -0.601 122.238 122.820 0.032 0.000 1.902 374 A HA -0.089 4.258 4.320 0.046 0.000 0.217 374 A C 2.443 180.065 177.584 0.064 0.000 1.181 374 A CA 1.826 53.880 52.037 0.028 0.000 0.623 374 A CB -1.157 17.820 19.000 -0.038 0.000 0.818 374 A HN 0.579 nan 8.150 nan 0.000 0.443 375 A N -0.506 122.339 122.820 0.041 0.000 1.933 375 A HA -0.150 4.197 4.320 0.046 0.000 0.218 375 A C 1.974 179.601 177.584 0.072 0.000 1.175 375 A CA 2.147 54.206 52.037 0.037 0.000 0.628 375 A CB -0.419 18.585 19.000 0.008 0.000 0.814 375 A HN 0.509 nan 8.150 nan 0.000 0.444 376 E N 0.098 120.352 120.200 0.090 0.000 2.072 376 E HA -0.000 4.377 4.350 0.046 0.000 0.191 376 E C 2.105 178.803 176.600 0.163 0.000 0.985 376 E CA 1.385 57.856 56.400 0.118 0.000 0.801 376 E CB -0.500 29.262 29.700 0.102 0.000 0.750 376 E HN 0.457 nan 8.360 nan 0.000 0.452 377 A N 0.080 123.018 122.820 0.196 0.000 1.917 377 A HA -0.198 4.149 4.320 0.046 0.000 0.219 377 A C 2.494 180.213 177.584 0.224 0.000 1.182 377 A CA 1.864 54.064 52.037 0.271 0.000 0.633 377 A CB -0.902 18.390 19.000 0.488 0.000 0.819 377 A HN 0.200 nan 8.150 nan 0.000 0.448 378 V N -0.563 119.519 119.914 0.280 0.000 2.261 378 V HA -0.234 3.913 4.120 0.046 0.000 0.246 378 V C 2.585 178.879 176.094 0.334 0.000 1.047 378 V CA 1.990 64.462 62.300 0.288 0.000 1.015 378 V CB -0.835 31.119 31.823 0.218 0.000 0.642 378 V HN 0.375 nan 8.190 nan 0.000 0.446 379 V N -0.050 120.006 119.914 0.236 0.000 2.332 379 V HA -0.284 3.864 4.120 0.046 0.000 0.248 379 V C 2.273 178.600 176.094 0.389 0.000 1.055 379 V CA 2.131 64.621 62.300 0.317 0.000 1.038 379 V CB -0.568 31.377 31.823 0.203 0.000 0.651 379 V HN 0.461 nan 8.190 nan 0.000 0.450 380 L N -0.871 120.550 121.223 0.330 0.000 2.217 380 L HA -0.143 4.225 4.340 0.046 0.000 0.211 380 L C 2.475 179.551 176.870 0.342 0.000 1.107 380 L CA 1.562 56.665 54.840 0.439 0.000 0.783 380 L CB -0.710 41.542 42.059 0.321 0.000 0.919 380 L HN 0.458 nan 8.230 nan 0.000 0.442 381 H N -0.824 118.241 119.070 -0.008 0.000 2.395 381 H HA -0.141 4.445 4.556 0.049 0.000 0.299 381 H C 1.782 176.986 175.328 -0.207 0.000 1.070 381 H CA 1.747 57.629 56.048 -0.277 0.000 1.356 381 H CB 0.114 29.375 29.762 -0.835 0.000 1.401 381 H HN 0.223 nan 8.280 nan 0.000 0.524 382 Y N -0.169 120.177 120.300 0.076 0.000 2.510 382 Y HA 0.135 4.711 4.550 0.045 0.000 0.273 382 Y C 0.765 176.603 175.900 -0.102 0.000 1.119 382 Y CA 0.374 58.523 58.100 0.081 0.000 1.286 382 Y CB 0.287 38.961 38.460 0.356 0.000 1.061 382 Y HN 0.006 nan 8.280 nan 0.000 0.542 383 T N 2.127 116.626 114.554 -0.092 0.000 2.829 383 T HA -0.097 4.280 4.350 0.046 0.000 0.293 383 T C -0.143 174.134 174.700 -0.706 0.000 0.970 383 T CA -0.064 61.680 62.100 -0.593 0.000 1.168 383 T CB 0.017 68.207 68.868 -1.129 0.000 0.911 383 T HN 0.099 nan 8.240 nan 0.000 0.535 384 D N 2.440 122.538 120.400 -0.504 0.000 2.344 384 D HA 0.021 4.688 4.640 0.046 0.000 0.253 384 D C 0.205 176.226 176.300 -0.465 0.000 1.255 384 D CA -0.519 53.257 54.000 -0.373 0.000 0.894 384 D CB 0.365 41.015 40.800 -0.251 0.000 1.067 384 D HN 0.637 nan 8.370 nan 0.000 0.492 385 W N 3.152 124.367 121.300 -0.142 0.000 2.721 385 W HA -0.011 4.674 4.660 0.042 0.000 0.245 385 W C 1.859 178.257 176.519 -0.202 0.000 1.276 385 W CA -0.174 57.086 57.345 -0.141 0.000 1.342 385 W CB 0.017 29.410 29.460 -0.112 0.000 1.135 385 W HN 0.446 nan 8.180 nan 0.000 0.654 386 L N -1.429 119.687 121.223 -0.178 0.000 2.341 386 L HA -0.001 4.367 4.340 0.046 0.000 0.214 386 L C 0.186 176.616 176.870 -0.733 0.000 1.115 386 L CA 0.933 55.503 54.840 -0.450 0.000 0.820 386 L CB -0.374 41.322 42.059 -0.605 0.000 0.944 386 L HN 0.010 nan 8.230 nan 0.000 0.452 387 H N -1.784 117.137 119.070 -0.248 0.000 2.616 387 H HA 0.167 4.731 4.556 0.013 0.000 0.229 387 H C -1.822 173.322 175.328 -0.306 0.000 1.418 387 H CA -1.405 54.471 56.048 -0.287 0.000 1.248 387 H CB 0.030 29.512 29.762 -0.468 0.000 1.822 387 H HN -0.090 nan 8.280 nan 0.000 0.522 388 P HA -0.217 nan 4.420 nan 0.000 0.217 388 P C 0.505 177.670 177.300 -0.224 0.000 1.151 388 P CA 1.510 64.430 63.100 -0.301 0.000 0.849 388 P CB 0.542 32.171 31.700 -0.118 0.000 0.787 389 E N -1.096 119.039 120.200 -0.108 0.000 2.603 389 E HA 0.075 4.452 4.350 0.046 0.000 0.211 389 E C -0.137 176.433 176.600 -0.051 0.000 0.995 389 E CA -0.343 56.013 56.400 -0.073 0.000 0.990 389 E CB 0.005 29.689 29.700 -0.028 0.000 1.036 389 E HN 0.221 nan 8.360 nan 0.000 0.475 390 D N 2.113 122.492 120.400 -0.035 0.000 2.450 390 D HA -0.021 4.646 4.640 0.046 0.000 0.247 390 D C -1.554 174.735 176.300 -0.018 0.000 1.162 390 D CA -1.468 52.537 54.000 0.008 0.000 0.879 390 D CB 1.198 42.056 40.800 0.097 0.000 1.163 390 D HN -0.141 nan 8.370 nan 0.000 0.472 391 P HA -0.100 nan 4.420 nan 0.000 0.216 391 P C 1.188 178.430 177.300 -0.097 0.000 1.153 391 P CA 1.010 64.060 63.100 -0.084 0.000 0.844 391 P CB 0.111 31.753 31.700 -0.097 0.000 0.787 392 T N -1.215 113.288 114.554 -0.084 0.000 2.652 392 T HA -0.213 4.165 4.350 0.046 0.000 0.267 392 T C 1.588 176.216 174.700 -0.120 0.000 1.039 392 T CA 1.819 63.851 62.100 -0.113 0.000 1.153 392 T CB -1.229 67.555 68.868 -0.140 0.000 0.863 392 T HN 0.254 nan 8.240 nan 0.000 0.428 393 H N 0.663 119.672 119.070 -0.102 0.000 2.319 393 H HA 0.043 4.619 4.556 0.034 0.000 0.299 393 H C 2.208 177.441 175.328 -0.158 0.000 1.092 393 H CA 1.361 57.343 56.048 -0.110 0.000 1.302 393 H CB -0.442 29.244 29.762 -0.126 0.000 1.373 393 H HN 0.188 nan 8.280 nan 0.000 0.497 394 L N 0.015 121.172 121.223 -0.110 0.000 2.046 394 L HA -0.191 4.176 4.340 0.046 0.000 0.208 394 L C 2.789 179.617 176.870 -0.071 0.000 1.077 394 L CA 1.210 55.861 54.840 -0.314 0.000 0.747 394 L CB -0.363 41.520 42.059 -0.293 0.000 0.896 394 L HN 0.252 nan 8.230 nan 0.000 0.432 395 R N 0.636 121.142 120.500 0.012 0.000 2.082 395 R HA -0.202 4.165 4.340 0.046 0.000 0.234 395 R C 1.748 178.198 176.300 0.250 0.000 1.136 395 R CA 2.310 58.503 56.100 0.156 0.000 0.935 395 R CB -0.639 29.602 30.300 -0.098 0.000 0.842 395 R HN 0.307 nan 8.270 nan 0.000 0.430 396 D N 0.433 120.920 120.400 0.145 0.000 2.182 396 D HA -0.131 4.536 4.640 0.046 0.000 0.201 396 D C 1.698 178.118 176.300 0.200 0.000 0.986 396 D CA 1.529 55.636 54.000 0.178 0.000 0.847 396 D CB -0.180 40.670 40.800 0.085 0.000 0.942 396 D HN 0.438 nan 8.370 nan 0.000 0.467 397 A N 0.410 123.326 122.820 0.161 0.000 1.897 397 A HA -0.125 4.223 4.320 0.046 0.000 0.215 397 A C 2.125 179.877 177.584 0.280 0.000 1.181 397 A CA 1.329 53.502 52.037 0.226 0.000 0.620 397 A CB -0.436 18.600 19.000 0.060 0.000 0.821 397 A HN 0.126 nan 8.150 nan 0.000 0.443 398 M N 0.245 120.068 119.600 0.372 0.000 2.080 398 M HA -0.130 4.377 4.480 0.046 0.000 0.260 398 M C 2.334 178.705 176.300 0.118 0.000 1.068 398 M CA 2.197 57.691 55.300 0.322 0.000 1.109 398 M CB -0.689 32.132 32.600 0.369 0.000 1.342 398 M HN 0.440 nan 8.290 nan 0.000 0.405 399 S N -0.318 115.483 115.700 0.168 0.000 2.359 399 S HA -0.183 4.315 4.470 0.046 0.000 0.223 399 S C 2.067 176.756 174.600 0.149 0.000 1.039 399 S CA 1.990 60.298 58.200 0.179 0.000 1.042 399 S CB -0.737 62.638 63.200 0.291 0.000 0.915 399 S HN 0.639 nan 8.310 nan 0.000 0.439 400 A N 0.806 123.732 122.820 0.177 0.000 1.902 400 A HA -0.010 4.337 4.320 0.046 0.000 0.217 400 A C 2.418 180.045 177.584 0.072 0.000 1.181 400 A CA 1.847 54.009 52.037 0.209 0.000 0.623 400 A CB -1.226 18.001 19.000 0.378 0.000 0.818 400 A HN 0.480 nan 8.150 nan 0.000 0.443 401 V N -0.289 119.504 119.914 -0.202 0.000 2.282 401 V HA -0.277 3.870 4.120 0.046 0.000 0.249 401 V C 2.594 178.623 176.094 -0.108 0.000 1.057 401 V CA 2.273 64.374 62.300 -0.332 0.000 1.032 401 V CB -0.736 30.907 31.823 -0.299 0.000 0.645 401 V HN 0.402 nan 8.190 nan 0.000 0.447 402 V N 0.474 120.344 119.914 -0.073 0.000 2.379 402 V HA -0.099 4.049 4.120 0.046 0.000 0.245 402 V C 2.584 178.575 176.094 -0.172 0.000 1.044 402 V CA 1.968 64.209 62.300 -0.098 0.000 1.036 402 V CB -1.292 30.515 31.823 -0.027 0.000 0.664 402 V HN 0.606 nan 8.190 nan 0.000 0.453 403 G N -0.233 108.533 108.800 -0.057 0.000 2.408 403 G HA2 -0.206 3.781 3.960 0.046 0.000 0.217 403 G HA3 -0.206 3.781 3.960 0.046 0.000 0.217 403 G C 1.211 176.036 174.900 -0.124 0.000 1.150 403 G CA 0.949 46.024 45.100 -0.041 0.000 0.776 403 G HN 0.497 nan 8.290 nan 0.000 0.542 404 D N -0.171 120.169 120.400 -0.099 0.000 2.091 404 D HA -0.069 4.599 4.640 0.046 0.000 0.199 404 D C 2.106 178.064 176.300 -0.570 0.000 0.980 404 D CA 1.221 55.125 54.000 -0.160 0.000 0.831 404 D CB -0.582 40.318 40.800 0.166 0.000 0.987 404 D HN 0.357 nan 8.370 nan 0.000 0.460 405 H N 1.196 119.638 119.070 -1.046 0.000 2.319 405 H HA -0.035 4.548 4.556 0.046 0.000 0.299 405 H C 1.516 176.405 175.328 -0.731 0.000 1.092 405 H CA 1.891 57.115 56.048 -1.373 0.000 1.302 405 H CB -0.020 28.962 29.762 -1.300 0.000 1.373 405 H HN 0.028 nan 8.280 nan 0.000 0.497 406 N N -0.888 117.353 118.700 -0.765 0.000 2.402 406 N HA -0.009 4.758 4.740 0.046 0.000 0.174 406 N C 1.422 176.642 175.510 -0.483 0.000 1.027 406 N CA 1.153 53.679 53.050 -0.873 0.000 0.891 406 N CB 0.863 38.279 38.487 -1.785 0.000 1.016 406 N HN 0.264 nan 8.380 nan 0.000 0.439 407 V N -0.022 119.681 119.914 -0.353 0.000 3.264 407 V HA 0.033 4.181 4.120 0.046 0.000 0.217 407 V C 2.281 178.320 176.094 -0.093 0.000 1.236 407 V CA 0.227 62.458 62.300 -0.115 0.000 1.287 407 V CB -0.391 31.442 31.823 0.017 0.000 1.241 407 V HN -0.166 nan 8.190 nan 0.000 0.518 408 V N 0.248 120.117 119.914 -0.076 0.000 2.282 408 V HA -0.331 3.816 4.120 0.046 0.000 0.249 408 V C 2.504 178.557 176.094 -0.068 0.000 1.057 408 V CA 2.628 64.896 62.300 -0.052 0.000 1.032 408 V CB -1.031 30.794 31.823 0.004 0.000 0.645 408 V HN 0.677 nan 8.190 nan 0.000 0.447 409 c N -0.382 118.166 118.600 -0.086 0.000 2.466 409 c HA 0.017 4.614 4.570 0.046 0.000 0.278 409 c C 0.637 174.684 174.090 -0.071 0.000 1.288 409 c CA 0.942 57.246 56.329 -0.041 0.000 1.722 409 c CB -1.878 40.639 42.510 0.012 0.000 2.017 409 c HN 0.456 nan 8.230 nan 0.000 0.488 410 P HA -0.086 nan 4.420 nan 0.000 0.216 410 P C 1.741 178.973 177.300 -0.114 0.000 1.150 410 P CA 1.399 64.420 63.100 -0.130 0.000 0.843 410 P CB -0.176 31.419 31.700 -0.174 0.000 0.787 411 V N 0.001 119.848 119.914 -0.111 0.000 2.343 411 V HA -0.255 3.892 4.120 0.046 0.000 0.247 411 V C 2.451 178.441 176.094 -0.175 0.000 1.051 411 V CA 2.248 64.465 62.300 -0.139 0.000 1.036 411 V CB -1.659 30.079 31.823 -0.141 0.000 0.654 411 V HN 0.105 nan 8.190 nan 0.000 0.451 412 A N -0.224 122.513 122.820 -0.138 0.000 1.877 412 A HA -0.320 4.028 4.320 0.046 0.000 0.216 412 A C 2.208 179.755 177.584 -0.063 0.000 1.186 412 A CA 2.227 54.194 52.037 -0.116 0.000 0.620 412 A CB -0.595 18.393 19.000 -0.020 0.000 0.822 412 A HN 0.618 nan 8.150 nan 0.000 0.443 413 Q N -0.582 119.195 119.800 -0.037 0.000 2.077 413 Q HA -0.202 4.166 4.340 0.046 0.000 0.206 413 Q C 1.873 177.846 176.000 -0.045 0.000 0.989 413 Q CA 2.137 57.929 55.803 -0.018 0.000 0.853 413 Q CB -0.487 28.237 28.738 -0.023 0.000 0.907 413 Q HN 0.491 nan 8.270 nan 0.000 0.418 414 L N 0.291 121.457 121.223 -0.095 0.000 2.017 414 L HA -0.060 4.308 4.340 0.046 0.000 0.208 414 L C 2.309 179.094 176.870 -0.142 0.000 1.073 414 L CA 2.253 57.017 54.840 -0.126 0.000 0.745 414 L CB -1.093 40.874 42.059 -0.153 0.000 0.894 414 L HN 0.355 nan 8.230 nan 0.000 0.432 415 A N -0.533 122.166 122.820 -0.202 0.000 1.892 415 A HA -0.159 4.189 4.320 0.046 0.000 0.218 415 A C 2.342 179.915 177.584 -0.019 0.000 1.188 415 A CA 1.878 53.742 52.037 -0.289 0.000 0.631 415 A CB -1.699 16.840 19.000 -0.768 0.000 0.822 415 A HN 0.550 nan 8.150 nan 0.000 0.447 416 G N -0.673 108.182 108.800 0.093 0.000 2.459 416 G HA2 -0.244 3.743 3.960 0.046 0.000 0.217 416 G HA3 -0.244 3.743 3.960 0.046 0.000 0.217 416 G C 1.674 176.650 174.900 0.127 0.000 1.183 416 G CA 0.980 46.212 45.100 0.221 0.000 0.776 416 G HN 0.399 nan 8.290 nan 0.000 0.552 417 R N 0.309 120.848 120.500 0.065 0.000 2.073 417 R HA 0.091 4.459 4.340 0.046 0.000 0.234 417 R C 2.715 179.070 176.300 0.090 0.000 1.134 417 R CA 0.599 56.745 56.100 0.077 0.000 0.952 417 R CB -1.317 29.022 30.300 0.064 0.000 0.850 417 R HN 0.422 nan 8.270 nan 0.000 0.433 418 L N 0.151 121.360 121.223 -0.023 0.000 2.042 418 L HA -0.170 4.198 4.340 0.046 0.000 0.210 418 L C 2.538 179.451 176.870 0.072 0.000 1.076 418 L CA 1.590 56.379 54.840 -0.085 0.000 0.749 418 L CB -0.689 41.230 42.059 -0.234 0.000 0.893 418 L HN 0.174 nan 8.230 nan 0.000 0.432 419 A N -0.056 122.819 122.820 0.092 0.000 1.873 419 A HA -0.135 4.212 4.320 0.046 0.000 0.215 419 A C 2.549 180.189 177.584 0.094 0.000 1.186 419 A CA 1.597 53.700 52.037 0.109 0.000 0.616 419 A CB -0.721 18.384 19.000 0.176 0.000 0.823 419 A HN 0.397 nan 8.150 nan 0.000 0.442 420 A N -0.833 122.048 122.820 0.102 0.000 1.940 420 A HA -0.207 4.141 4.320 0.046 0.000 0.219 420 A C 1.877 179.519 177.584 0.097 0.000 1.176 420 A CA 1.755 53.843 52.037 0.086 0.000 0.631 420 A CB -0.415 18.636 19.000 0.086 0.000 0.814 420 A HN 0.629 nan 8.150 nan 0.000 0.446 421 Q N -1.869 118.023 119.800 0.153 0.000 2.211 421 Q HA 0.394 4.762 4.340 0.046 0.000 0.231 421 Q C 0.825 176.932 176.000 0.180 0.000 0.865 421 Q CA 0.354 56.261 55.803 0.172 0.000 0.997 421 Q CB 0.416 29.305 28.738 0.252 0.000 1.101 421 Q HN 0.828 nan 8.270 nan 0.000 0.468 422 G N -0.280 108.602 108.800 0.135 0.000 2.213 422 G HA2 -0.266 3.721 3.960 0.046 0.000 0.226 422 G HA3 -0.266 3.721 3.960 0.046 0.000 0.226 422 G C 0.364 175.333 174.900 0.114 0.000 0.992 422 G CA -0.232 44.929 45.100 0.102 0.000 0.632 422 G HN 0.543 nan 8.290 nan 0.000 0.511 423 A N 0.099 123.011 122.820 0.153 0.000 2.406 423 A HA 0.669 5.017 4.320 0.046 0.000 0.243 423 A C 0.728 178.346 177.584 0.057 0.000 1.082 423 A CA 0.784 52.890 52.037 0.115 0.000 0.786 423 A CB 0.265 19.316 19.000 0.085 0.000 1.029 423 A HN 0.872 nan 8.150 nan 0.000 0.495 424 R N 0.887 121.416 120.500 0.048 0.000 2.229 424 R HA 0.536 4.904 4.340 0.046 0.000 0.328 424 R C -1.635 174.641 176.300 -0.041 0.000 1.009 424 R CA -0.217 55.873 56.100 -0.016 0.000 0.864 424 R CB 0.644 30.966 30.300 0.037 0.000 1.085 424 R HN 0.460 nan 8.270 nan 0.000 0.453 425 V N 5.574 125.384 119.914 -0.174 0.000 2.656 425 V HA 0.424 4.572 4.120 0.046 0.000 0.307 425 V C -1.239 174.661 176.094 -0.323 0.000 1.051 425 V CA -0.784 61.441 62.300 -0.125 0.000 0.893 425 V CB 1.684 33.505 31.823 -0.003 0.000 0.999 425 V HN 0.679 nan 8.190 nan 0.000 0.426 426 Y N 2.150 122.396 120.300 -0.090 0.000 2.376 426 Y HA 0.798 5.375 4.550 0.045 0.000 0.340 426 Y C 0.321 176.245 175.900 0.039 0.000 0.965 426 Y CA -0.525 57.496 58.100 -0.131 0.000 1.078 426 Y CB 2.239 40.279 38.460 -0.700 0.000 1.193 426 Y HN 0.774 nan 8.280 nan 0.000 0.452 427 A N 3.116 126.255 122.820 0.533 0.000 2.380 427 A HA 0.885 5.233 4.320 0.046 0.000 0.315 427 A C -1.800 176.176 177.584 0.653 0.000 1.101 427 A CA -0.676 51.577 52.037 0.360 0.000 0.771 427 A CB 1.101 20.146 19.000 0.075 0.000 1.287 427 A HN 0.747 nan 8.150 nan 0.000 0.436 428 Y N -0.768 119.767 120.300 0.392 0.000 2.615 428 Y HA 0.806 5.383 4.550 0.045 0.000 0.341 428 Y C -1.187 174.863 175.900 0.250 0.000 1.089 428 Y CA -1.683 56.615 58.100 0.331 0.000 1.049 428 Y CB 1.276 39.952 38.460 0.360 0.000 1.296 428 Y HN 0.719 nan 8.280 nan 0.000 0.470 429 I N 2.700 123.585 120.570 0.525 0.000 2.498 429 I HA 0.497 4.694 4.170 0.046 0.000 0.290 429 I C -1.946 174.503 176.117 0.553 0.000 1.032 429 I CA -1.063 60.504 61.300 0.445 0.000 1.073 429 I CB 1.444 39.610 38.000 0.277 0.000 1.251 429 I HN 0.739 nan 8.210 nan 0.000 0.426 430 F N 7.043 127.258 119.950 0.441 0.000 2.415 430 F HA 0.436 4.991 4.527 0.047 0.000 0.348 430 F C 0.492 176.445 175.800 0.255 0.000 1.119 430 F CA 0.088 58.296 58.000 0.347 0.000 1.069 430 F CB 1.060 40.273 39.000 0.355 0.000 1.124 430 F HN 0.548 nan 8.300 nan 0.000 0.472 431 E N 2.727 122.796 120.200 -0.218 0.000 2.676 431 E HA -0.028 4.349 4.350 0.046 0.000 0.225 431 E C -0.833 175.666 176.600 -0.168 0.000 0.944 431 E CA -0.166 56.191 56.400 -0.072 0.000 1.156 431 E CB 0.333 30.016 29.700 -0.029 0.000 1.117 431 E HN 0.522 nan 8.360 nan 0.000 0.523 432 H N 1.871 120.603 119.070 -0.562 0.000 2.723 432 H HA 0.202 4.785 4.556 0.046 0.000 0.294 432 H C -0.264 175.063 175.328 -0.000 0.000 1.079 432 H CA -0.320 55.492 56.048 -0.393 0.000 1.411 432 H CB 0.375 29.720 29.762 -0.695 0.000 1.439 432 H HN -0.154 nan 8.280 nan 0.000 0.474 433 R N 4.254 124.506 120.500 -0.413 0.000 2.296 433 R HA 0.348 4.715 4.340 0.046 0.000 0.323 433 R C -0.373 175.655 176.300 -0.453 0.000 1.067 433 R CA -0.312 55.651 56.100 -0.228 0.000 0.946 433 R CB 0.074 30.314 30.300 -0.101 0.000 0.991 433 R HN 0.836 nan 8.270 nan 0.000 0.448 434 A N 3.385 126.256 122.820 0.085 0.000 2.567 434 A HA -0.040 4.307 4.320 0.046 0.000 0.240 434 A C 1.396 179.106 177.584 0.209 0.000 1.053 434 A CA 0.646 52.966 52.037 0.471 0.000 0.755 434 A CB 0.245 19.665 19.000 0.699 0.000 0.978 434 A HN 1.024 nan 8.150 nan 0.000 0.507 435 S N 1.728 117.589 115.700 0.268 0.000 2.399 435 S HA -0.174 4.324 4.470 0.046 0.000 0.231 435 S C 1.467 176.078 174.600 0.017 0.000 1.022 435 S CA 1.653 59.927 58.200 0.124 0.000 0.983 435 S CB -0.915 62.383 63.200 0.162 0.000 0.803 435 S HN 1.325 nan 8.310 nan 0.000 0.480 436 T N -0.684 113.841 114.554 -0.047 0.000 3.148 436 T HA 0.319 4.697 4.350 0.046 0.000 0.253 436 T C 0.390 175.022 174.700 -0.113 0.000 1.134 436 T CA -0.441 61.556 62.100 -0.172 0.000 1.051 436 T CB -0.683 67.926 68.868 -0.431 0.000 0.959 436 T HN 0.263 nan 8.240 nan 0.000 0.525 437 L N 3.624 124.824 121.223 -0.039 0.000 2.513 437 L HA 0.199 4.566 4.340 0.046 0.000 0.272 437 L C 1.765 178.588 176.870 -0.080 0.000 1.187 437 L CA 0.631 55.436 54.840 -0.060 0.000 0.895 437 L CB 0.808 42.847 42.059 -0.034 0.000 1.147 437 L HN 0.436 nan 8.230 nan 0.000 0.483 438 T N -0.426 114.036 114.554 -0.153 0.000 3.081 438 T HA 0.075 4.452 4.350 0.046 0.000 0.250 438 T C 0.310 175.000 174.700 -0.017 0.000 1.100 438 T CA -0.462 61.553 62.100 -0.143 0.000 1.038 438 T CB -0.215 68.444 68.868 -0.349 0.000 0.962 438 T HN 0.390 nan 8.240 nan 0.000 0.516 439 W N 3.365 124.659 121.300 -0.009 0.000 2.184 439 W HA 0.433 5.120 4.660 0.045 0.000 0.338 439 W C -1.966 174.460 176.519 -0.155 0.000 1.257 439 W CA -2.320 54.992 57.345 -0.054 0.000 1.243 439 W CB 0.290 29.633 29.460 -0.195 0.000 1.122 439 W HN -0.020 nan 8.180 nan 0.000 0.585 440 P HA -0.003 nan 4.420 nan 0.000 0.271 440 P C 0.561 177.804 177.300 -0.094 0.000 1.244 440 P CA 0.035 63.118 63.100 -0.027 0.000 0.793 440 P CB 0.901 32.620 31.700 0.031 0.000 0.984 441 L N -0.259 120.971 121.223 0.011 0.000 2.131 441 L HA -0.116 4.252 4.340 0.046 0.000 0.210 441 L C 2.519 179.420 176.870 0.051 0.000 1.092 441 L CA 1.329 56.188 54.840 0.032 0.000 0.759 441 L CB -0.842 41.262 42.059 0.076 0.000 0.903 441 L HN 0.602 nan 8.230 nan 0.000 0.435 442 W N -0.999 120.342 121.300 0.069 0.000 2.595 442 W HA -0.091 4.596 4.660 0.044 0.000 0.257 442 W C 1.643 178.223 176.519 0.101 0.000 1.267 442 W CA 0.361 57.751 57.345 0.075 0.000 1.300 442 W CB -0.699 28.805 29.460 0.073 0.000 1.120 442 W HN 0.185 nan 8.180 nan 0.000 0.618 443 M N 1.258 120.490 119.600 -0.613 0.000 2.558 443 M HA 0.130 4.638 4.480 0.046 0.000 0.255 443 M C 1.813 178.019 176.300 -0.157 0.000 1.113 443 M CA 1.397 56.333 55.300 -0.605 0.000 1.097 443 M CB -0.565 31.530 32.600 -0.841 0.000 1.426 443 M HN 0.167 nan 8.290 nan 0.000 0.488 444 G N 0.773 109.538 108.800 -0.060 0.000 2.591 444 G HA2 -0.294 3.694 3.960 0.046 0.000 0.298 444 G HA3 -0.294 3.694 3.960 0.046 0.000 0.298 444 G C -0.120 174.810 174.900 0.049 0.000 1.195 444 G CA -0.127 44.992 45.100 0.032 0.000 0.989 444 G HN 0.231 nan 8.290 nan 0.000 0.551 445 V N 3.912 123.900 119.914 0.125 0.000 2.304 445 V HA 0.456 4.604 4.120 0.046 0.000 0.262 445 V C -1.714 174.529 176.094 0.249 0.000 1.061 445 V CA -0.704 61.728 62.300 0.220 0.000 0.872 445 V CB 1.048 33.055 31.823 0.307 0.000 1.077 445 V HN 0.533 nan 8.190 nan 0.000 0.480 446 P HA 0.204 nan 4.420 nan 0.000 0.278 446 P C -0.270 177.255 177.300 0.376 0.000 1.258 446 P CA -0.666 62.594 63.100 0.267 0.000 0.811 446 P CB 0.386 32.172 31.700 0.143 0.000 1.063 447 H N 0.547 119.705 119.070 0.146 0.000 3.216 447 H HA 0.205 4.788 4.556 0.045 0.000 0.283 447 H C 1.536 176.739 175.328 -0.210 0.000 0.921 447 H CA 2.458 58.501 56.048 -0.008 0.000 1.419 447 H CB -0.934 28.780 29.762 -0.081 0.000 1.460 447 H HN 0.741 nan 8.280 nan 0.000 0.553 448 G N 3.627 112.187 108.800 -0.400 0.000 2.213 448 G HA2 -0.295 3.693 3.960 0.046 0.000 0.226 448 G HA3 -0.295 3.693 3.960 0.046 0.000 0.226 448 G C 0.503 175.239 174.900 -0.274 0.000 0.992 448 G CA 0.218 45.031 45.100 -0.477 0.000 0.632 448 G HN 0.626 nan 8.290 nan 0.000 0.511 449 Y N 1.711 122.115 120.300 0.172 0.000 2.496 449 Y HA 0.284 4.862 4.550 0.046 0.000 0.313 449 Y C 2.183 178.189 175.900 0.177 0.000 1.184 449 Y CA 0.865 59.122 58.100 0.261 0.000 1.275 449 Y CB 0.384 39.044 38.460 0.334 0.000 1.103 449 Y HN 0.504 nan 8.280 nan 0.000 0.513 450 E N -0.163 119.976 120.200 -0.102 0.000 2.389 450 E HA -0.019 4.358 4.350 0.046 0.000 0.199 450 E C 1.512 177.969 176.600 -0.238 0.000 0.978 450 E CA 0.462 56.471 56.400 -0.652 0.000 0.912 450 E CB -0.331 28.595 29.700 -1.290 0.000 0.907 450 E HN 0.541 nan 8.360 nan 0.000 0.494 451 I N 3.174 123.709 120.570 -0.058 0.000 2.127 451 I HA -0.318 3.879 4.170 0.046 0.000 0.241 451 I C 2.745 178.853 176.117 -0.015 0.000 1.075 451 I CA 2.187 63.504 61.300 0.028 0.000 1.334 451 I CB -0.514 37.577 38.000 0.151 0.000 1.040 451 I HN 0.195 nan 8.210 nan 0.000 0.405 452 E N 1.162 121.300 120.200 -0.104 0.000 2.147 452 E HA -0.273 4.105 4.350 0.046 0.000 0.199 452 E C 2.105 178.457 176.600 -0.414 0.000 1.005 452 E CA 1.746 57.984 56.400 -0.271 0.000 0.810 452 E CB -0.689 28.824 29.700 -0.311 0.000 0.736 452 E HN 0.455 nan 8.360 nan 0.000 0.460 453 F N 1.337 121.148 119.950 -0.232 0.000 2.128 453 F HA -0.065 4.490 4.527 0.047 0.000 0.295 453 F C 2.441 177.979 175.800 -0.437 0.000 1.100 453 F CA 0.656 58.451 58.000 -0.343 0.000 1.260 453 F CB -0.221 38.624 39.000 -0.259 0.000 1.009 453 F HN -0.033 nan 8.300 nan 0.000 0.476 454 I N -0.850 119.528 120.570 -0.319 0.000 2.264 454 I HA -0.293 3.905 4.170 0.046 0.000 0.248 454 I C 2.165 178.004 176.117 -0.465 0.000 1.111 454 I CA 1.649 62.591 61.300 -0.596 0.000 1.382 454 I CB -1.552 35.943 38.000 -0.841 0.000 1.060 454 I HN 0.093 nan 8.210 nan 0.000 0.418 455 F N 0.838 120.598 119.950 -0.317 0.000 2.615 455 F HA 0.196 4.750 4.527 0.045 0.000 0.297 455 F C 1.903 177.584 175.800 -0.199 0.000 1.124 455 F CA 0.953 58.817 58.000 -0.226 0.000 1.451 455 F CB -0.102 38.749 39.000 -0.247 0.000 1.103 455 F HN 0.295 nan 8.300 nan 0.000 0.569 456 G N 0.019 108.672 108.800 -0.246 0.000 2.130 456 G HA2 -0.246 3.742 3.960 0.046 0.000 0.216 456 G HA3 -0.246 3.742 3.960 0.046 0.000 0.216 456 G C 1.080 175.410 174.900 -0.949 0.000 0.999 456 G CA 0.238 45.070 45.100 -0.446 0.000 0.686 456 G HN 0.320 nan 8.290 nan 0.000 0.515 457 L N -0.274 120.451 121.223 -0.831 0.000 2.079 457 L HA -0.076 4.291 4.340 0.046 0.000 0.210 457 L C 0.188 176.567 176.870 -0.819 0.000 1.081 457 L CA 2.197 56.507 54.840 -0.882 0.000 0.752 457 L CB -1.300 40.487 42.059 -0.452 0.000 0.896 457 L HN 0.203 nan 8.230 nan 0.000 0.433 458 P HA -0.155 nan 4.420 nan 0.000 0.223 458 P C 1.771 178.865 177.300 -0.343 0.000 1.144 458 P CA 1.044 63.699 63.100 -0.742 0.000 0.783 458 P CB 0.023 31.260 31.700 -0.771 0.000 0.771 459 L N -1.374 119.565 121.223 -0.473 0.000 2.362 459 L HA -0.035 4.333 4.340 0.046 0.000 0.219 459 L C 0.974 177.756 176.870 -0.147 0.000 1.134 459 L CA 0.811 55.482 54.840 -0.282 0.000 0.807 459 L CB -0.780 41.117 42.059 -0.270 0.000 0.927 459 L HN 0.034 nan 8.230 nan 0.000 0.447 460 D N 1.213 121.495 120.400 -0.197 0.000 2.352 460 D HA 0.095 4.762 4.640 0.046 0.000 0.245 460 D C -1.637 174.682 176.300 0.032 0.000 1.224 460 D CA -1.791 52.226 54.000 0.028 0.000 0.879 460 D CB 1.696 42.556 40.800 0.099 0.000 1.057 460 D HN -0.020 nan 8.370 nan 0.000 0.491 461 P HA -0.078 nan 4.420 nan 0.000 0.226 461 P C 1.108 178.424 177.300 0.026 0.000 1.153 461 P CA 0.583 63.703 63.100 0.033 0.000 0.777 461 P CB 0.155 31.871 31.700 0.027 0.000 0.794 462 S N -1.443 114.271 115.700 0.024 0.000 2.603 462 S HA 0.057 4.555 4.470 0.046 0.000 0.220 462 S C 1.461 176.051 174.600 -0.017 0.000 0.967 462 S CA 0.320 58.522 58.200 0.003 0.000 0.920 462 S CB -1.208 61.995 63.200 0.005 0.000 0.773 462 S HN 0.099 nan 8.310 nan 0.000 0.529 463 L N 0.861 122.082 121.223 -0.002 0.000 2.592 463 L HA 0.264 4.632 4.340 0.046 0.000 0.227 463 L C 0.123 176.887 176.870 -0.178 0.000 1.127 463 L CA -0.166 54.634 54.840 -0.067 0.000 0.884 463 L CB -0.487 41.587 42.059 0.026 0.000 1.065 463 L HN 0.230 nan 8.230 nan 0.000 0.457 464 N N -1.396 117.257 118.700 -0.078 0.000 2.747 464 N HA -0.238 4.530 4.740 0.046 0.000 0.249 464 N C -0.634 174.816 175.510 -0.100 0.000 1.107 464 N CA 0.769 53.768 53.050 -0.085 0.000 0.707 464 N CB -1.893 36.527 38.487 -0.111 0.000 1.054 464 N HN 0.274 nan 8.380 nan 0.000 0.555 465 Y N 1.177 121.465 120.300 -0.019 0.000 2.309 465 Y HA 0.175 4.752 4.550 0.045 0.000 0.327 465 Y C 1.827 177.753 175.900 0.043 0.000 1.172 465 Y CA -0.031 58.083 58.100 0.023 0.000 1.280 465 Y CB 0.628 39.085 38.460 -0.005 0.000 1.234 465 Y HN 0.096 nan 8.280 nan 0.000 0.512 466 T N -1.453 113.251 114.554 0.251 0.000 2.903 466 T HA -0.023 4.355 4.350 0.046 0.000 0.314 466 T C 1.258 176.038 174.700 0.134 0.000 1.078 466 T CA -0.119 62.075 62.100 0.157 0.000 1.114 466 T CB 0.755 69.710 68.868 0.145 0.000 0.987 466 T HN 0.794 nan 8.240 nan 0.000 0.548 467 T N 2.351 116.953 114.554 0.080 0.000 2.685 467 T HA -0.160 4.217 4.350 0.046 0.000 0.268 467 T C 1.775 176.505 174.700 0.051 0.000 1.034 467 T CA 2.218 64.351 62.100 0.054 0.000 1.149 467 T CB -0.478 68.410 68.868 0.034 0.000 0.860 467 T HN 0.819 nan 8.240 nan 0.000 0.449 468 E N 1.047 121.275 120.200 0.046 0.000 2.058 468 E HA -0.123 4.254 4.350 0.046 0.000 0.194 468 E C 2.280 178.905 176.600 0.041 0.000 0.997 468 E CA 1.172 57.580 56.400 0.013 0.000 0.801 468 E CB -0.198 29.489 29.700 -0.022 0.000 0.746 468 E HN 0.574 nan 8.360 nan 0.000 0.450 469 E N 0.158 120.427 120.200 0.114 0.000 2.204 469 E HA -0.167 4.210 4.350 0.046 0.000 0.195 469 E C 2.073 178.803 176.600 0.218 0.000 0.990 469 E CA 0.389 56.947 56.400 0.264 0.000 0.821 469 E CB 0.018 30.015 29.700 0.495 0.000 0.750 469 E HN 0.052 nan 8.360 nan 0.000 0.477 470 R N 0.852 121.411 120.500 0.100 0.000 2.093 470 R HA -0.038 4.330 4.340 0.046 0.000 0.224 470 R C 2.069 178.374 176.300 0.008 0.000 1.101 470 R CA 0.733 56.837 56.100 0.007 0.000 0.979 470 R CB -0.091 30.210 30.300 0.002 0.000 0.877 470 R HN 0.222 nan 8.270 nan 0.000 0.441 471 I N 0.340 120.935 120.570 0.042 0.000 2.333 471 I HA -0.238 3.960 4.170 0.046 0.000 0.246 471 I C 2.166 178.327 176.117 0.073 0.000 1.106 471 I CA 0.567 61.885 61.300 0.031 0.000 1.411 471 I CB -0.326 37.687 38.000 0.022 0.000 1.082 471 I HN 0.069 nan 8.210 nan 0.000 0.420 472 F N 2.233 122.128 119.950 -0.092 0.000 2.091 472 F HA -0.298 4.257 4.527 0.047 0.000 0.299 472 F C 2.452 178.218 175.800 -0.056 0.000 1.103 472 F CA 1.545 59.474 58.000 -0.119 0.000 1.228 472 F CB -0.761 38.096 39.000 -0.237 0.000 0.984 472 F HN 0.036 nan 8.300 nan 0.000 0.477 473 A N -0.293 122.483 122.820 -0.075 0.000 1.933 473 A HA -0.218 4.130 4.320 0.046 0.000 0.218 473 A C 2.168 179.633 177.584 -0.199 0.000 1.175 473 A CA 1.674 53.596 52.037 -0.191 0.000 0.628 473 A CB -0.821 18.080 19.000 -0.166 0.000 0.814 473 A HN 0.602 nan 8.150 nan 0.000 0.444 474 Q N -0.747 118.976 119.800 -0.129 0.000 2.079 474 Q HA -0.145 4.223 4.340 0.046 0.000 0.200 474 Q C 2.372 178.281 176.000 -0.153 0.000 0.974 474 Q CA 1.383 57.116 55.803 -0.117 0.000 0.840 474 Q CB -0.158 28.537 28.738 -0.072 0.000 0.898 474 Q HN 0.615 nan 8.270 nan 0.000 0.430 475 R N 0.267 120.668 120.500 -0.165 0.000 2.083 475 R HA -0.149 4.218 4.340 0.046 0.000 0.237 475 R C 2.313 178.358 176.300 -0.426 0.000 1.137 475 R CA 1.308 57.231 56.100 -0.295 0.000 0.951 475 R CB -0.393 29.813 30.300 -0.156 0.000 0.851 475 R HN 0.258 nan 8.270 nan 0.000 0.434 476 L N 0.027 121.091 121.223 -0.265 0.000 2.056 476 L HA -0.151 4.216 4.340 0.046 0.000 0.207 476 L C 2.541 179.377 176.870 -0.056 0.000 1.078 476 L CA 1.263 56.034 54.840 -0.114 0.000 0.749 476 L CB -0.359 41.475 42.059 -0.376 0.000 0.901 476 L HN 0.228 nan 8.230 nan 0.000 0.433 477 M N -0.426 119.077 119.600 -0.163 0.000 2.213 477 M HA -0.212 4.296 4.480 0.046 0.000 0.263 477 M C 2.261 178.561 176.300 -0.001 0.000 1.062 477 M CA 1.540 56.774 55.300 -0.110 0.000 1.105 477 M CB -0.261 32.262 32.600 -0.130 0.000 1.385 477 M HN 0.025 nan 8.290 nan 0.000 0.417 478 K N -0.035 120.334 120.400 -0.051 0.000 2.062 478 K HA -0.115 4.233 4.320 0.046 0.000 0.205 478 K C 1.597 178.260 176.600 0.104 0.000 1.051 478 K CA 1.541 57.810 56.287 -0.030 0.000 0.941 478 K CB -0.223 32.199 32.500 -0.130 0.000 0.719 478 K HN 0.175 nan 8.250 nan 0.000 0.440 479 Y N -0.499 119.936 120.300 0.225 0.000 2.097 479 Y HA -0.237 4.341 4.550 0.046 0.000 0.282 479 Y C 2.287 178.329 175.900 0.236 0.000 1.152 479 Y CA 1.193 59.461 58.100 0.279 0.000 1.136 479 Y CB -0.885 37.886 38.460 0.519 0.000 0.975 479 Y HN 0.199 nan 8.280 nan 0.000 0.498 480 W N 0.651 122.038 121.300 0.145 0.000 2.335 480 W HA -0.251 4.436 4.660 0.045 0.000 0.311 480 W C 2.484 179.011 176.519 0.015 0.000 1.213 480 W CA 2.299 59.658 57.345 0.024 0.000 1.274 480 W CB -0.662 28.730 29.460 -0.112 0.000 1.148 480 W HN 0.251 nan 8.180 nan 0.000 0.498 481 T N -2.311 112.360 114.554 0.196 0.000 2.896 481 T HA -0.122 4.256 4.350 0.046 0.000 0.263 481 T C 1.444 176.180 174.700 0.060 0.000 1.050 481 T CA 1.077 63.222 62.100 0.076 0.000 1.140 481 T CB -0.646 68.243 68.868 0.035 0.000 0.877 481 T HN -0.057 nan 8.240 nan 0.000 0.457 482 N N 0.946 119.698 118.700 0.088 0.000 2.149 482 N HA -0.030 4.738 4.740 0.046 0.000 0.188 482 N C 1.406 176.925 175.510 0.015 0.000 1.019 482 N CA 1.042 54.123 53.050 0.052 0.000 0.857 482 N CB -0.620 37.917 38.487 0.082 0.000 0.997 482 N HN 0.459 nan 8.380 nan 0.000 0.426 483 F N 1.825 121.697 119.950 -0.129 0.000 2.075 483 F HA -0.134 4.421 4.527 0.047 0.000 0.297 483 F C 2.259 177.985 175.800 -0.124 0.000 1.113 483 F CA 1.498 59.372 58.000 -0.211 0.000 1.218 483 F CB -0.583 38.204 39.000 -0.355 0.000 0.984 483 F HN 0.036 nan 8.300 nan 0.000 0.472 484 A N 0.637 123.409 122.820 -0.079 0.000 1.892 484 A HA -0.259 4.089 4.320 0.046 0.000 0.218 484 A C 2.369 179.858 177.584 -0.158 0.000 1.188 484 A CA 2.110 54.069 52.037 -0.131 0.000 0.631 484 A CB -0.916 18.066 19.000 -0.029 0.000 0.822 484 A HN 0.481 nan 8.150 nan 0.000 0.447 485 R N -1.364 119.075 120.500 -0.101 0.000 2.091 485 R HA -0.113 4.255 4.340 0.046 0.000 0.238 485 R C 2.102 178.328 176.300 -0.123 0.000 1.136 485 R CA 2.020 58.070 56.100 -0.084 0.000 0.959 485 R CB -0.243 30.031 30.300 -0.042 0.000 0.856 485 R HN 0.778 nan 8.270 nan 0.000 0.437 486 T N -6.169 108.284 114.554 -0.168 0.000 2.969 486 T HA 0.255 4.633 4.350 0.046 0.000 0.258 486 T C 1.172 175.747 174.700 -0.208 0.000 0.962 486 T CA 0.420 62.432 62.100 -0.147 0.000 0.903 486 T CB 1.401 70.220 68.868 -0.082 0.000 1.177 486 T HN 0.337 nan 8.240 nan 0.000 0.511 487 G N 1.250 109.799 108.800 -0.420 0.000 2.176 487 G HA2 -0.162 3.826 3.960 0.046 0.000 0.253 487 G HA3 -0.162 3.826 3.960 0.046 0.000 0.253 487 G C -0.347 174.454 174.900 -0.165 0.000 0.979 487 G CA 0.187 44.972 45.100 -0.526 0.000 0.641 487 G HN 0.803 nan 8.290 nan 0.000 0.530 488 D N -0.367 119.945 120.400 -0.147 0.000 2.788 488 D HA 0.474 5.142 4.640 0.046 0.000 0.247 488 D C -1.696 174.452 176.300 -0.253 0.000 1.236 488 D CA -1.696 52.179 54.000 -0.208 0.000 0.898 488 D CB 2.225 42.998 40.800 -0.045 0.000 1.401 488 D HN 0.006 nan 8.370 nan 0.000 0.549 489 P HA 0.014 nan 4.420 nan 0.000 0.245 489 P C -0.074 177.248 177.300 0.037 0.000 1.212 489 P CA -0.033 62.900 63.100 -0.279 0.000 0.774 489 P CB 0.355 31.577 31.700 -0.796 0.000 0.999 490 N N 1.581 120.276 118.700 -0.008 0.000 2.514 490 N HA 0.037 4.805 4.740 0.046 0.000 0.277 490 N C -0.045 175.547 175.510 0.136 0.000 1.126 490 N CA 0.096 53.238 53.050 0.153 0.000 0.978 490 N CB 0.502 39.066 38.487 0.129 0.000 1.106 490 N HN -0.044 nan 8.380 nan 0.000 0.461 491 D N 2.548 123.049 120.400 0.168 0.000 2.349 491 D HA 0.045 4.712 4.640 0.046 0.000 0.266 491 D C -1.438 174.910 176.300 0.080 0.000 1.293 491 D CA -1.366 52.696 54.000 0.104 0.000 0.926 491 D CB 0.781 41.635 40.800 0.090 0.000 1.090 491 D HN 0.313 nan 8.370 nan 0.000 0.502 492 P HA 0.013 nan 4.420 nan 0.000 0.252 492 P C -0.154 177.171 177.300 0.042 0.000 1.265 492 P CA 0.146 63.275 63.100 0.047 0.000 0.775 492 P CB 0.381 32.100 31.700 0.032 0.000 1.128 493 R N 1.185 121.711 120.500 0.044 0.000 2.607 493 R HA 0.465 4.833 4.340 0.046 0.000 0.278 493 R C -1.024 175.302 176.300 0.043 0.000 1.637 493 R CA -0.217 55.905 56.100 0.038 0.000 1.325 493 R CB 0.702 31.019 30.300 0.029 0.000 1.211 493 R HN 0.116 nan 8.270 nan 0.000 0.565 494 D N -0.994 119.435 120.400 0.050 0.000 2.983 494 D HA 0.186 4.854 4.640 0.046 0.000 0.269 494 D C -0.333 176.003 176.300 0.061 0.000 1.121 494 D CA -0.107 53.926 54.000 0.055 0.000 0.724 494 D CB 0.805 41.646 40.800 0.069 0.000 1.381 494 D HN 0.089 nan 8.370 nan 0.000 0.442 495 S N 0.123 115.857 115.700 0.057 0.000 2.699 495 S HA 0.128 4.626 4.470 0.046 0.000 0.277 495 S C 0.004 174.637 174.600 0.056 0.000 1.062 495 S CA -0.357 57.877 58.200 0.056 0.000 1.116 495 S CB 0.239 63.466 63.200 0.045 0.000 0.977 495 S HN 0.478 nan 8.310 nan 0.000 0.498 496 K N 3.389 123.819 120.400 0.049 0.000 2.349 496 K HA 0.532 4.880 4.320 0.046 0.000 0.289 496 K C -0.367 176.267 176.600 0.055 0.000 1.064 496 K CA 0.559 56.873 56.287 0.044 0.000 0.947 496 K CB 0.138 32.658 32.500 0.033 0.000 1.007 496 K HN 0.144 nan 8.250 nan 0.000 0.478 497 S N 3.651 119.385 115.700 0.055 0.000 2.774 497 S HA -0.059 4.439 4.470 0.046 0.000 0.857 497 S C -2.722 171.929 174.600 0.085 0.000 0.840 497 S CA -0.711 57.532 58.200 0.071 0.000 1.521 497 S CB -0.545 62.713 63.200 0.097 0.000 1.094 497 S HN 0.614 nan 8.310 nan 0.000 0.241 498 P HA 0.264 nan 4.420 nan 0.000 0.272 498 P C -0.398 176.972 177.300 0.116 0.000 1.240 498 P CA -0.360 62.784 63.100 0.074 0.000 0.791 498 P CB 0.405 32.132 31.700 0.044 0.000 0.978 499 Q N -0.084 119.793 119.800 0.129 0.000 2.340 499 Q HA 0.085 4.453 4.340 0.046 0.000 0.249 499 Q C -0.522 175.629 176.000 0.252 0.000 0.957 499 Q CA 0.069 55.985 55.803 0.188 0.000 0.882 499 Q CB 0.542 29.381 28.738 0.167 0.000 1.235 499 Q HN 0.539 nan 8.270 nan 0.000 0.439 500 W N 6.296 127.648 121.300 0.087 0.000 2.481 500 W HA 0.243 4.931 4.660 0.048 0.000 0.320 500 W C -2.392 174.260 176.519 0.222 0.000 1.209 500 W CA -2.375 55.030 57.345 0.100 0.000 1.400 500 W CB 0.180 29.636 29.460 -0.006 0.000 1.361 500 W HN 0.379 nan 8.180 nan 0.000 0.456 501 P HA 0.279 nan 4.420 nan 0.000 0.281 501 P C -2.618 174.890 177.300 0.346 0.000 1.249 501 P CA -1.850 61.474 63.100 0.374 0.000 0.810 501 P CB 0.869 32.697 31.700 0.214 0.000 1.008 502 P HA 0.019 nan 4.420 nan 0.000 0.267 502 P C -0.550 176.729 177.300 -0.036 0.000 1.200 502 P CA 0.293 63.191 63.100 -0.336 0.000 0.772 502 P CB 0.017 31.512 31.700 -0.342 0.000 0.855 503 Y N 2.805 123.030 120.300 -0.125 0.000 2.359 503 Y HA 0.384 4.961 4.550 0.045 0.000 0.330 503 Y C 0.423 176.306 175.900 -0.028 0.000 1.143 503 Y CA 0.612 58.715 58.100 0.004 0.000 1.318 503 Y CB 0.494 38.978 38.460 0.040 0.000 1.234 503 Y HN 0.435 nan 8.280 nan 0.000 0.522 504 T N 0.096 114.323 114.554 -0.544 0.000 2.896 504 T HA 0.233 4.610 4.350 0.046 0.000 0.297 504 T C 0.724 175.152 174.700 -0.453 0.000 1.108 504 T CA -0.210 61.699 62.100 -0.319 0.000 1.004 504 T CB 1.214 69.980 68.868 -0.171 0.000 1.159 504 T HN 0.673 nan 8.240 nan 0.000 0.499 505 T N -0.865 113.584 114.554 -0.175 0.000 2.951 505 T HA 0.101 4.478 4.350 0.046 0.000 0.268 505 T C 2.161 176.805 174.700 -0.093 0.000 1.073 505 T CA 0.984 63.027 62.100 -0.094 0.000 1.134 505 T CB -0.723 68.152 68.868 0.011 0.000 0.884 505 T HN 0.877 nan 8.240 nan 0.000 0.479 506 A N 2.060 124.826 122.820 -0.090 0.000 1.825 506 A HA 0.465 4.813 4.320 0.046 0.000 0.214 506 A C 2.781 180.318 177.584 -0.077 0.000 1.206 506 A CA 1.723 53.724 52.037 -0.061 0.000 0.609 506 A CB -1.427 17.546 19.000 -0.044 0.000 0.851 506 A HN 0.764 nan 8.150 nan 0.000 0.445 507 A N -2.241 120.511 122.820 -0.112 0.000 2.021 507 A HA 0.185 4.532 4.320 0.046 0.000 0.216 507 A C 1.048 178.559 177.584 -0.122 0.000 1.163 507 A CA 1.025 53.007 52.037 -0.092 0.000 0.676 507 A CB -0.376 18.581 19.000 -0.071 0.000 0.818 507 A HN 0.612 nan 8.150 nan 0.000 0.453 508 Q N -0.442 119.177 119.800 -0.303 0.000 2.453 508 Q HA -0.217 4.150 4.340 0.046 0.000 0.294 508 Q C -0.727 175.275 176.000 0.003 0.000 1.295 508 Q CA 0.698 56.270 55.803 -0.386 0.000 0.853 508 Q CB -1.644 27.066 28.738 -0.046 0.000 1.193 508 Q HN 0.829 nan 8.270 nan 0.000 0.461 509 Q N 0.538 120.324 119.800 -0.023 0.000 2.267 509 Q HA 0.463 4.830 4.340 0.046 0.000 0.255 509 Q C -0.435 175.804 176.000 0.399 0.000 0.923 509 Q CA -0.134 55.748 55.803 0.132 0.000 0.925 509 Q CB 0.622 29.399 28.738 0.064 0.000 1.195 509 Q HN 0.347 nan 8.270 nan 0.000 0.417 510 Y N -1.156 119.290 120.300 0.243 0.000 2.638 510 Y HA 0.759 5.336 4.550 0.044 0.000 0.339 510 Y C -0.931 175.009 175.900 0.067 0.000 1.084 510 Y CA -1.546 56.709 58.100 0.258 0.000 1.068 510 Y CB 0.668 39.278 38.460 0.249 0.000 1.294 510 Y HN 0.322 nan 8.280 nan 0.000 0.480 511 V N -0.314 119.606 119.914 0.011 0.000 2.715 511 V HA 0.796 4.943 4.120 0.046 0.000 0.310 511 V C -0.247 175.809 176.094 -0.063 0.000 1.054 511 V CA -0.597 61.524 62.300 -0.299 0.000 0.928 511 V CB 1.234 32.543 31.823 -0.856 0.000 1.007 511 V HN 1.150 nan 8.190 nan 0.000 0.437 512 S N 4.438 120.090 115.700 -0.079 0.000 2.513 512 S HA 0.673 5.170 4.470 0.046 0.000 0.276 512 S C -0.437 174.138 174.600 -0.041 0.000 1.254 512 S CA -0.632 57.584 58.200 0.027 0.000 1.053 512 S CB 0.485 63.689 63.200 0.007 0.000 0.958 512 S HN 0.765 nan 8.310 nan 0.000 0.491 513 L N 4.320 125.568 121.223 0.042 0.000 2.262 513 L HA 0.535 4.903 4.340 0.046 0.000 0.288 513 L C -0.092 176.703 176.870 -0.125 0.000 1.035 513 L CA -0.383 54.499 54.840 0.070 0.000 0.820 513 L CB 0.138 42.339 42.059 0.238 0.000 1.204 513 L HN 0.970 nan 8.230 nan 0.000 0.424 514 N N 2.263 120.798 118.700 -0.275 0.000 3.449 514 N HA 0.270 5.037 4.740 0.046 0.000 0.312 514 N C 0.078 174.995 175.510 -0.989 0.000 1.557 514 N CA -0.927 51.673 53.050 -0.750 0.000 0.864 514 N CB 0.517 38.761 38.487 -0.405 0.000 1.799 514 N HN 0.206 nan 8.380 nan 0.000 0.554 515 L N -0.676 120.012 121.223 -0.893 0.000 2.217 515 L HA 0.104 4.472 4.340 0.046 0.000 0.211 515 L C 0.658 177.318 176.870 -0.349 0.000 1.107 515 L CA 0.900 55.313 54.840 -0.712 0.000 0.783 515 L CB -0.486 41.257 42.059 -0.527 0.000 0.919 515 L HN 0.387 nan 8.230 nan 0.000 0.442 516 K N 0.356 120.603 120.400 -0.254 0.000 2.219 516 K HA 0.198 4.545 4.320 0.046 0.000 0.258 516 K C -2.140 174.401 176.600 -0.098 0.000 1.008 516 K CA -1.809 54.394 56.287 -0.140 0.000 0.928 516 K CB -0.166 32.270 32.500 -0.107 0.000 0.983 516 K HN -0.188 nan 8.250 nan 0.000 0.484 517 P HA -0.065 nan 4.420 nan 0.000 0.269 517 P C -0.331 176.961 177.300 -0.014 0.000 1.217 517 P CA -0.017 63.082 63.100 -0.002 0.000 0.783 517 P CB 0.355 32.059 31.700 0.005 0.000 0.898 518 L N 1.236 122.468 121.223 0.014 0.000 2.615 518 L HA -0.085 4.282 4.340 0.046 0.000 0.284 518 L C 1.148 177.974 176.870 -0.073 0.000 1.237 518 L CA 0.863 55.667 54.840 -0.060 0.000 0.905 518 L CB -0.303 41.706 42.059 -0.083 0.000 1.149 518 L HN 0.506 nan 8.230 nan 0.000 0.499 519 E N 3.315 123.450 120.200 -0.109 0.000 2.187 519 E HA 0.393 4.771 4.350 0.046 0.000 0.268 519 E C -1.327 175.180 176.600 -0.155 0.000 0.896 519 E CA -0.814 55.526 56.400 -0.101 0.000 0.766 519 E CB 1.895 31.545 29.700 -0.083 0.000 1.142 519 E HN 0.304 nan 8.360 nan 0.000 0.408 520 V N 5.183 125.015 119.914 -0.136 0.000 2.461 520 V HA 0.367 4.514 4.120 0.046 0.000 0.275 520 V C 0.314 176.267 176.094 -0.236 0.000 1.047 520 V CA -0.160 62.035 62.300 -0.175 0.000 0.955 520 V CB 0.840 32.614 31.823 -0.082 0.000 0.988 520 V HN 0.696 nan 8.190 nan 0.000 0.471 521 R N 4.005 124.231 120.500 -0.457 0.000 2.892 521 R HA 0.748 5.115 4.340 0.046 0.000 0.265 521 R C -0.801 175.211 176.300 -0.480 0.000 1.025 521 R CA -1.027 54.765 56.100 -0.513 0.000 0.982 521 R CB 2.402 32.267 30.300 -0.725 0.000 1.185 521 R HN 0.582 nan 8.270 nan 0.000 0.484 522 R N -0.015 120.389 120.500 -0.160 0.000 2.599 522 R HA 0.486 4.854 4.340 0.046 0.000 0.295 522 R C -0.760 175.683 176.300 0.239 0.000 0.963 522 R CA -0.477 55.650 56.100 0.045 0.000 0.883 522 R CB 2.200 32.514 30.300 0.022 0.000 1.171 522 R HN 0.894 nan 8.270 nan 0.000 0.450 523 G N 2.265 111.282 108.800 0.361 0.000 3.450 523 G HA2 -0.226 3.762 3.960 0.046 0.000 0.668 523 G HA3 -0.226 3.762 3.960 0.046 0.000 0.668 523 G C -0.989 174.156 174.900 0.408 0.000 0.941 523 G CA -0.778 44.521 45.100 0.331 0.000 0.766 523 G HN 0.476 nan 8.290 nan 0.000 0.451 524 L N 4.132 125.502 121.223 0.245 0.000 2.352 524 L HA 0.618 4.985 4.340 0.046 0.000 0.272 524 L C 1.450 178.354 176.870 0.057 0.000 1.109 524 L CA -0.422 54.395 54.840 -0.039 0.000 0.952 524 L CB -0.116 41.789 42.059 -0.257 0.000 1.314 524 L HN 0.704 nan 8.230 nan 0.000 0.427 525 R N 2.570 123.142 120.500 0.121 0.000 3.525 525 R HA -0.272 4.096 4.340 0.046 0.000 0.276 525 R C 1.288 177.695 176.300 0.178 0.000 1.116 525 R CA 0.697 56.894 56.100 0.162 0.000 0.745 525 R CB -2.273 28.132 30.300 0.174 0.000 1.185 525 R HN 0.808 nan 8.270 nan 0.000 0.454 526 A N 0.745 123.667 122.820 0.170 0.000 1.903 526 A HA -0.288 4.059 4.320 0.046 0.000 0.219 526 A C 2.103 179.783 177.584 0.160 0.000 1.191 526 A CA 1.613 53.747 52.037 0.162 0.000 0.638 526 A CB -0.150 18.940 19.000 0.149 0.000 0.823 526 A HN 0.416 nan 8.150 nan 0.000 0.451 527 Q N -0.838 119.054 119.800 0.154 0.000 2.046 527 Q HA -0.103 4.264 4.340 0.046 0.000 0.200 527 Q C 2.252 178.374 176.000 0.203 0.000 0.975 527 Q CA 2.056 57.952 55.803 0.155 0.000 0.836 527 Q CB -1.310 27.505 28.738 0.128 0.000 0.896 527 Q HN 0.668 nan 8.270 nan 0.000 0.428 528 T N 0.690 115.396 114.554 0.253 0.000 2.821 528 T HA -0.107 4.271 4.350 0.046 0.000 0.267 528 T C 2.021 176.956 174.700 0.392 0.000 1.046 528 T CA 1.155 63.449 62.100 0.323 0.000 1.139 528 T CB -0.254 68.865 68.868 0.418 0.000 0.871 528 T HN 0.313 nan 8.240 nan 0.000 0.454 529 c N 1.522 120.332 118.600 0.350 0.000 2.448 529 c HA 0.291 4.889 4.570 0.046 0.000 0.280 529 c C 3.112 177.361 174.090 0.264 0.000 1.398 529 c CA -0.088 56.450 56.329 0.349 0.000 1.774 529 c CB -1.379 41.269 42.510 0.229 0.000 1.888 529 c HN 0.636 nan 8.230 nan 0.000 0.519 530 A N 0.319 123.265 122.820 0.211 0.000 1.933 530 A HA -0.187 4.161 4.320 0.046 0.000 0.218 530 A C 1.861 179.548 177.584 0.172 0.000 1.175 530 A CA 1.539 53.677 52.037 0.168 0.000 0.628 530 A CB -0.768 18.316 19.000 0.141 0.000 0.814 530 A HN 0.526 nan 8.150 nan 0.000 0.444 531 F N -0.684 119.253 119.950 -0.022 0.000 2.069 531 F HA -0.183 4.373 4.527 0.049 0.000 0.298 531 F C 1.954 177.698 175.800 -0.093 0.000 1.113 531 F CA 1.706 59.606 58.000 -0.167 0.000 1.214 531 F CB -0.665 37.969 39.000 -0.611 0.000 0.978 531 F HN 0.390 nan 8.300 nan 0.000 0.474 532 W N 0.492 121.734 121.300 -0.096 0.000 2.381 532 W HA -0.142 4.545 4.660 0.044 0.000 0.301 532 W C 2.178 178.633 176.519 -0.107 0.000 1.205 532 W CA 1.095 58.346 57.345 -0.156 0.000 1.285 532 W CB -0.618 28.867 29.460 0.042 0.000 1.133 532 W HN -0.037 nan 8.180 nan 0.000 0.521 533 N N -0.602 118.215 118.700 0.195 0.000 2.415 533 N HA 0.040 4.808 4.740 0.046 0.000 0.176 533 N C 1.472 177.018 175.510 0.060 0.000 1.042 533 N CA 0.830 53.948 53.050 0.114 0.000 0.902 533 N CB -0.132 38.422 38.487 0.111 0.000 0.986 533 N HN 0.227 nan 8.380 nan 0.000 0.447 534 R N -1.482 119.056 120.500 0.063 0.000 2.194 534 R HA 0.235 4.602 4.340 0.046 0.000 0.194 534 R C 1.320 177.652 176.300 0.054 0.000 0.985 534 R CA -0.005 56.132 56.100 0.062 0.000 1.104 534 R CB -0.091 30.267 30.300 0.096 0.000 1.092 534 R HN 0.041 nan 8.270 nan 0.000 0.555 535 F N 1.611 121.487 119.950 -0.124 0.000 2.123 535 F HA 0.083 4.638 4.527 0.047 0.000 0.289 535 F C 1.899 177.554 175.800 -0.241 0.000 1.099 535 F CA 1.061 58.965 58.000 -0.158 0.000 1.234 535 F CB -0.278 38.656 39.000 -0.109 0.000 1.034 535 F HN -0.160 nan 8.300 nan 0.000 0.479 536 L N 0.577 121.481 121.223 -0.531 0.000 2.043 536 L HA -0.210 4.158 4.340 0.046 0.000 0.212 536 L C -0.411 176.235 176.870 -0.373 0.000 1.075 536 L CA 1.820 56.321 54.840 -0.565 0.000 0.752 536 L CB -2.113 39.628 42.059 -0.529 0.000 0.891 536 L HN 0.145 nan 8.230 nan 0.000 0.432 537 P HA -0.229 nan 4.420 nan 0.000 0.216 537 P C 1.394 178.568 177.300 -0.210 0.000 1.157 537 P CA 1.623 64.624 63.100 -0.164 0.000 0.880 537 P CB 0.003 31.643 31.700 -0.099 0.000 0.791 538 K N -1.290 118.940 120.400 -0.282 0.000 2.148 538 K HA -0.105 4.243 4.320 0.046 0.000 0.204 538 K C 1.877 178.275 176.600 -0.338 0.000 1.050 538 K CA 0.745 56.868 56.287 -0.273 0.000 0.942 538 K CB -0.751 31.596 32.500 -0.253 0.000 0.724 538 K HN 0.025 nan 8.250 nan 0.000 0.446 539 L N 0.941 121.845 121.223 -0.531 0.000 2.265 539 L HA -0.101 4.267 4.340 0.046 0.000 0.215 539 L C 1.470 178.205 176.870 -0.226 0.000 1.117 539 L CA 1.619 56.202 54.840 -0.430 0.000 0.782 539 L CB -0.098 41.642 42.059 -0.532 0.000 0.914 539 L HN 0.156 nan 8.230 nan 0.000 0.441 540 L N -2.062 119.044 121.223 -0.196 0.000 2.537 540 L HA 0.105 4.472 4.340 0.046 0.000 0.224 540 L C 2.178 178.991 176.870 -0.094 0.000 1.065 540 L CA 0.795 55.563 54.840 -0.120 0.000 0.860 540 L CB -0.397 41.602 42.059 -0.099 0.000 1.086 540 L HN 0.283 nan 8.230 nan 0.000 0.482 541 S N -0.230 115.407 115.700 -0.105 0.000 2.562 541 S HA 0.172 4.669 4.470 0.046 0.000 0.221 541 S C 1.354 175.914 174.600 -0.066 0.000 0.975 541 S CA 0.519 58.673 58.200 -0.076 0.000 0.918 541 S CB 0.314 63.471 63.200 -0.072 0.000 0.772 541 S HN 0.316 nan 8.310 nan 0.000 0.531 542 A N 1.299 124.072 122.820 -0.078 0.000 1.976 542 A HA 0.508 4.855 4.320 0.046 0.000 0.199 542 A C 1.243 178.796 177.584 -0.052 0.000 2.152 542 A CA 0.842 52.845 52.037 -0.057 0.000 1.086 542 A CB -0.609 18.358 19.000 -0.054 0.000 1.181 542 A HN 0.900 nan 8.150 nan 0.000 0.642 543 T N -1.344 113.172 114.554 -0.062 0.000 4.712 543 T HA 0.112 4.490 4.350 0.046 0.000 0.304 543 T C 0.167 174.853 174.700 -0.024 0.000 1.250 543 T CA 1.450 63.521 62.100 -0.047 0.000 2.371 543 T CB -2.447 66.393 68.868 -0.046 0.000 1.829 543 T HN 2.395 nan 8.240 nan 0.000 0.953 544 A N 0.000 122.809 122.820 -0.018 0.000 2.254 544 A HA 0.000 4.348 4.320 0.046 0.000 0.244 544 A CA 0.000 nan 52.037 nan 0.000 0.836 544 A CB 0.000 19.027 19.000 0.046 0.000 0.831 544 A HN 0.000 nan 8.150 nan 0.000 0.486