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 2ha5_1_A DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GEAAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcXXX XXXXNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSYFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SA 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 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.612 176.600 0.021 0.000 1.382 1 E CA 0.000 56.416 56.400 0.027 0.000 0.976 1 E CB 0.000 29.719 29.700 0.032 0.000 0.812 2 G N 0.120 108.933 108.800 0.020 0.000 3.288 2 G HA2 -0.169 3.796 3.960 0.009 0.000 0.195 2 G HA3 -0.169 3.796 3.960 0.009 0.000 0.195 2 G C 0.917 175.827 174.900 0.016 0.000 1.093 2 G CA 0.161 45.271 45.100 0.016 0.000 0.852 2 G HN 0.309 nan 8.290 nan 0.000 0.453 3 R N 1.337 121.847 120.500 0.016 0.000 2.362 3 R HA 0.423 4.768 4.340 0.009 0.000 0.227 3 R C 0.658 176.969 176.300 0.018 0.000 0.905 3 R CA 0.299 56.408 56.100 0.015 0.000 1.067 3 R CB 0.314 30.621 30.300 0.011 0.000 1.078 3 R HN 0.569 nan 8.270 nan 0.000 0.516 4 E N 0.225 120.439 120.200 0.023 0.000 2.280 4 E HA 0.069 4.425 4.350 0.009 0.000 0.261 4 E C -0.722 175.901 176.600 0.038 0.000 1.088 4 E CA -0.787 55.630 56.400 0.028 0.000 0.915 4 E CB 0.542 30.261 29.700 0.032 0.000 1.141 4 E HN -0.088 nan 8.360 nan 0.000 0.433 5 D N 2.066 122.495 120.400 0.049 0.000 2.363 5 D HA -0.000 4.645 4.640 0.009 0.000 0.263 5 D C -1.513 174.833 176.300 0.077 0.000 1.258 5 D CA -1.881 52.164 54.000 0.076 0.000 0.907 5 D CB 0.791 41.657 40.800 0.109 0.000 1.107 5 D HN 0.118 nan 8.370 nan 0.000 0.495 6 P HA -0.119 nan 4.420 nan 0.000 0.230 6 P C 0.573 177.898 177.300 0.040 0.000 1.158 6 P CA 0.809 63.934 63.100 0.043 0.000 0.769 6 P CB 0.306 32.019 31.700 0.023 0.000 0.807 7 Q N -0.607 119.216 119.800 0.039 0.000 2.444 7 Q HA 0.153 4.498 4.340 0.009 0.000 0.206 7 Q C 1.484 177.550 176.000 0.110 0.000 0.948 7 Q CA 0.407 56.204 55.803 -0.010 0.000 0.946 7 Q CB 0.013 28.617 28.738 -0.223 0.000 1.027 7 Q HN 0.377 nan 8.270 nan 0.000 0.513 8 L N 0.347 121.668 121.223 0.164 0.000 2.808 8 L HA 0.271 4.617 4.340 0.009 0.000 0.246 8 L C -0.164 176.891 176.870 0.308 0.000 1.153 8 L CA -0.058 54.917 54.840 0.226 0.000 0.956 8 L CB 0.601 42.722 42.059 0.103 0.000 1.270 8 L HN 0.089 nan 8.230 nan 0.000 0.528 9 L N 0.845 122.193 121.223 0.208 0.000 2.287 9 L HA 0.562 4.907 4.340 0.009 0.000 0.287 9 L C -0.722 176.199 176.870 0.084 0.000 1.022 9 L CA -0.473 54.464 54.840 0.161 0.000 0.814 9 L CB 1.766 43.880 42.059 0.092 0.000 1.217 9 L HN -0.231 nan 8.230 nan 0.000 0.420 10 V N 3.263 123.202 119.914 0.042 0.000 2.925 10 V HA 0.503 4.629 4.120 0.009 0.000 0.311 10 V C -0.488 175.531 176.094 -0.126 0.000 1.104 10 V CA -0.774 61.416 62.300 -0.183 0.000 0.954 10 V CB 2.768 34.230 31.823 -0.600 0.000 1.022 10 V HN 0.718 nan 8.190 nan 0.000 0.427 11 R N 2.231 122.626 120.500 -0.175 0.000 2.445 11 R HA 0.820 5.166 4.340 0.009 0.000 0.308 11 R C -0.784 175.423 176.300 -0.155 0.000 0.961 11 R CA -0.330 55.707 56.100 -0.106 0.000 0.862 11 R CB 1.830 32.071 30.300 -0.099 0.000 1.144 11 R HN 0.720 nan 8.270 nan 0.000 0.447 12 V N 1.739 121.621 119.914 -0.054 0.000 3.229 12 V HA 0.519 4.644 4.120 0.009 0.000 0.310 12 V C 1.099 177.119 176.094 -0.123 0.000 1.206 12 V CA -0.947 61.317 62.300 -0.061 0.000 1.051 12 V CB 1.552 33.487 31.823 0.188 0.000 1.183 12 V HN 0.811 nan 8.190 nan 0.000 0.466 13 R N 1.228 121.645 120.500 -0.138 0.000 2.105 13 R HA 0.024 4.369 4.340 0.009 0.000 0.239 13 R C 1.812 177.979 176.300 -0.222 0.000 1.135 13 R CA 2.289 58.298 56.100 -0.151 0.000 0.967 13 R CB -1.208 29.023 30.300 -0.116 0.000 0.861 13 R HN 1.021 nan 8.270 nan 0.000 0.442 14 G N -1.895 106.723 108.800 -0.304 0.000 2.712 14 G HA2 0.383 4.348 3.960 0.009 0.000 0.212 14 G HA3 0.383 4.348 3.960 0.009 0.000 0.212 14 G C 0.361 174.342 174.900 -1.532 0.000 1.142 14 G CA 0.387 45.035 45.100 -0.753 0.000 0.789 14 G HN 0.728 nan 8.290 nan 0.000 0.535 15 G N -1.066 107.129 108.800 -1.009 0.000 2.302 15 G HA2 0.083 4.048 3.960 0.009 0.000 0.276 15 G HA3 0.083 4.048 3.960 0.009 0.000 0.276 15 G C -1.143 173.688 174.900 -0.115 0.000 1.316 15 G CA -0.928 43.726 45.100 -0.743 0.000 0.988 15 G HN 0.284 nan 8.290 nan 0.000 0.479 16 Q N -0.361 119.526 119.800 0.146 0.000 2.259 16 Q HA 0.684 5.029 4.340 0.009 0.000 0.249 16 Q C -0.344 175.935 176.000 0.464 0.000 0.914 16 Q CA -0.137 55.822 55.803 0.260 0.000 0.904 16 Q CB 1.477 30.317 28.738 0.170 0.000 1.213 16 Q HN 0.447 nan 8.270 nan 0.000 0.428 17 L N 1.589 123.010 121.223 0.330 0.000 2.341 17 L HA 0.631 4.977 4.340 0.009 0.000 0.267 17 L C -0.473 176.574 176.870 0.294 0.000 1.009 17 L CA -0.839 54.202 54.840 0.336 0.000 0.819 17 L CB 2.106 44.403 42.059 0.397 0.000 1.323 17 L HN 0.454 nan 8.230 nan 0.000 0.425 18 R N 0.554 121.208 120.500 0.257 0.000 2.409 18 R HA 0.602 4.947 4.340 0.009 0.000 0.313 18 R C -0.261 176.130 176.300 0.152 0.000 0.953 18 R CA -0.331 55.893 56.100 0.208 0.000 0.849 18 R CB 1.653 32.014 30.300 0.103 0.000 1.171 18 R HN 0.824 nan 8.270 nan 0.000 0.458 19 G N 3.290 112.129 108.800 0.065 0.000 2.531 19 G HA2 0.438 4.403 3.960 0.009 0.000 0.281 19 G HA3 0.438 4.403 3.960 0.009 0.000 0.281 19 G C -0.877 173.808 174.900 -0.357 0.000 1.382 19 G CA -0.649 44.147 45.100 -0.507 0.000 1.045 19 G HN 0.584 nan 8.290 nan 0.000 0.533 20 I N -1.086 119.214 120.570 -0.450 0.000 2.686 20 I HA 0.489 4.665 4.170 0.009 0.000 0.295 20 I C -0.197 175.764 176.117 -0.260 0.000 1.114 20 I CA -1.118 60.015 61.300 -0.277 0.000 1.038 20 I CB 2.149 40.001 38.000 -0.246 0.000 1.238 20 I HN 0.422 nan 8.210 nan 0.000 0.420 21 R N 7.693 128.070 120.500 -0.206 0.000 2.210 21 R HA 0.499 4.845 4.340 0.009 0.000 0.338 21 R C -1.604 174.561 176.300 -0.224 0.000 1.062 21 R CA -0.359 55.579 56.100 -0.270 0.000 0.902 21 R CB 0.426 30.476 30.300 -0.417 0.000 1.050 21 R HN 0.628 nan 8.270 nan 0.000 0.461 22 L N 4.165 125.283 121.223 -0.176 0.000 2.344 22 L HA 0.435 4.780 4.340 0.009 0.000 0.272 22 L C 0.171 176.962 176.870 -0.133 0.000 1.035 22 L CA -0.866 53.898 54.840 -0.126 0.000 0.807 22 L CB 1.738 43.761 42.059 -0.060 0.000 1.237 22 L HN 0.441 nan 8.230 nan 0.000 0.442 23 K N 2.067 122.397 120.400 -0.116 0.000 2.262 23 K HA 0.573 4.898 4.320 0.009 0.000 0.282 23 K C -0.463 176.069 176.600 -0.113 0.000 1.066 23 K CA -0.329 55.895 56.287 -0.104 0.000 0.901 23 K CB 1.609 34.061 32.500 -0.080 0.000 1.089 23 K HN 0.667 nan 8.250 nan 0.000 0.476 24 A N 4.375 127.125 122.820 -0.115 0.000 2.281 24 A HA 0.443 4.768 4.320 0.009 0.000 0.329 24 A C -1.837 175.730 177.584 -0.029 0.000 1.122 24 A CA -1.589 50.365 52.037 -0.139 0.000 0.850 24 A CB 0.420 19.313 19.000 -0.179 0.000 1.207 24 A HN 0.418 nan 8.150 nan 0.000 0.495 25 P HA -0.093 nan 4.420 nan 0.000 0.216 25 P C 1.343 178.668 177.300 0.041 0.000 1.150 25 P CA 1.950 65.088 63.100 0.064 0.000 0.837 25 P CB 0.188 31.959 31.700 0.119 0.000 0.786 26 G N -2.108 106.718 108.800 0.044 0.000 2.880 26 G HA2 0.413 4.378 3.960 0.009 0.000 0.209 26 G HA3 0.413 4.378 3.960 0.009 0.000 0.209 26 G C 0.590 175.504 174.900 0.024 0.000 1.157 26 G CA 0.543 45.663 45.100 0.034 0.000 0.779 26 G HN 0.610 nan 8.290 nan 0.000 0.539 27 G N -0.707 108.099 108.800 0.011 0.000 2.359 27 G HA2 0.368 4.334 3.960 0.009 0.000 0.293 27 G HA3 0.368 4.334 3.960 0.009 0.000 0.293 27 G C -3.376 171.512 174.900 -0.019 0.000 1.300 27 G CA -0.693 44.410 45.100 0.005 0.000 0.888 27 G HN 0.034 nan 8.290 nan 0.000 0.541 28 P HA 0.518 nan 4.420 nan 0.000 0.274 28 P C 0.029 177.329 177.300 -0.000 0.000 1.231 28 P CA -0.213 62.823 63.100 -0.106 0.000 0.790 28 P CB 1.588 33.115 31.700 -0.289 0.000 0.951 29 V N -1.321 118.584 119.914 -0.016 0.000 3.102 29 V HA 0.697 4.823 4.120 0.009 0.000 0.312 29 V C -0.411 175.751 176.094 0.114 0.000 1.135 29 V CA -0.928 61.441 62.300 0.115 0.000 1.022 29 V CB 1.802 33.698 31.823 0.122 0.000 1.056 29 V HN 0.436 nan 8.190 nan 0.000 0.436 30 S N 1.368 117.200 115.700 0.220 0.000 2.508 30 S HA 0.878 5.354 4.470 0.009 0.000 0.284 30 S C -0.043 174.540 174.600 -0.029 0.000 1.192 30 S CA -0.007 58.263 58.200 0.116 0.000 1.070 30 S CB 1.306 64.681 63.200 0.293 0.000 1.004 30 S HN 1.589 nan 8.310 nan 0.000 0.493 31 A N 2.526 125.128 122.820 -0.364 0.000 2.356 31 A HA 0.793 5.118 4.320 0.009 0.000 0.310 31 A C -1.299 175.844 177.584 -0.735 0.000 1.075 31 A CA -0.640 51.084 52.037 -0.521 0.000 0.746 31 A CB 0.474 19.158 19.000 -0.527 0.000 1.221 31 A HN 0.672 nan 8.150 nan 0.000 0.443 32 F N 2.797 122.571 119.950 -0.293 0.000 2.366 32 F HA 0.508 5.040 4.527 0.009 0.000 0.366 32 F C -0.211 175.399 175.800 -0.317 0.000 1.096 32 F CA -0.339 57.560 58.000 -0.169 0.000 1.060 32 F CB 1.324 40.366 39.000 0.071 0.000 1.282 32 F HN 0.344 nan 8.300 nan 0.000 0.450 33 L N 2.135 123.210 121.223 -0.247 0.000 2.334 33 L HA 0.734 5.080 4.340 0.009 0.000 0.276 33 L C 0.844 177.604 176.870 -0.184 0.000 1.014 33 L CA -1.029 53.601 54.840 -0.350 0.000 0.815 33 L CB 1.832 43.486 42.059 -0.676 0.000 1.268 33 L HN 0.814 nan 8.230 nan 0.000 0.428 34 G N 2.941 111.689 108.800 -0.086 0.000 2.212 34 G HA2 -0.244 3.721 3.960 0.009 0.000 0.255 34 G HA3 -0.244 3.721 3.960 0.009 0.000 0.255 34 G C -0.111 174.820 174.900 0.053 0.000 1.062 34 G CA -0.380 44.685 45.100 -0.059 0.000 0.815 34 G HN 0.484 nan 8.290 nan 0.000 0.497 35 I N 2.112 122.727 120.570 0.076 0.000 2.436 35 I HA 0.218 4.393 4.170 0.009 0.000 0.289 35 I C -1.461 174.724 176.117 0.112 0.000 1.083 35 I CA -2.029 59.309 61.300 0.064 0.000 1.372 35 I CB 0.880 38.874 38.000 -0.010 0.000 1.408 35 I HN -0.028 nan 8.210 nan 0.000 0.516 36 P HA 0.023 nan 4.420 nan 0.000 0.276 36 P C -0.145 177.102 177.300 -0.088 0.000 1.243 36 P CA 0.009 62.979 63.100 -0.216 0.000 0.768 36 P CB 0.480 32.070 31.700 -0.183 0.000 0.856 37 F N 1.456 121.271 119.950 -0.224 0.000 2.706 37 F HA 0.690 5.223 4.527 0.010 0.000 0.308 37 F C 0.189 175.990 175.800 0.002 0.000 1.095 37 F CA -0.691 57.247 58.000 -0.103 0.000 1.244 37 F CB 0.134 38.991 39.000 -0.238 0.000 1.063 37 F HN 0.306 nan 8.300 nan 0.000 0.582 38 A N 0.123 122.652 122.820 -0.484 0.000 2.566 38 A HA 0.595 4.921 4.320 0.009 0.000 0.292 38 A C -0.762 176.672 177.584 -0.251 0.000 1.112 38 A CA -0.794 51.074 52.037 -0.282 0.000 0.707 38 A CB 0.963 19.742 19.000 -0.369 0.000 1.302 38 A HN 0.057 nan 8.150 nan 0.000 0.409 39 E N 1.049 121.176 120.200 -0.122 0.000 2.392 39 E HA 0.243 4.599 4.350 0.009 0.000 0.264 39 E C -2.312 174.196 176.600 -0.153 0.000 1.024 39 E CA -1.316 55.025 56.400 -0.098 0.000 0.903 39 E CB 0.029 29.707 29.700 -0.037 0.000 0.963 39 E HN 0.240 nan 8.360 nan 0.000 0.432 40 P HA 0.020 nan 4.420 nan 0.000 0.263 40 P C -2.247 174.987 177.300 -0.110 0.000 1.195 40 P CA -0.815 62.200 63.100 -0.141 0.000 0.762 40 P CB -0.024 31.627 31.700 -0.082 0.000 0.799 41 P HA 0.026 nan 4.420 nan 0.000 0.220 41 P C -0.389 176.847 177.300 -0.107 0.000 1.806 41 P CA 0.054 63.094 63.100 -0.099 0.000 0.976 41 P CB -0.070 31.573 31.700 -0.095 0.000 1.952 42 V N -2.435 117.424 119.914 -0.092 0.000 3.019 42 V HA 0.911 5.036 4.120 0.009 0.000 0.317 42 V C 0.848 176.896 176.094 -0.076 0.000 1.094 42 V CA 0.123 62.368 62.300 -0.093 0.000 1.000 42 V CB 0.977 32.755 31.823 -0.075 0.000 1.060 42 V HN 0.560 nan 8.190 nan 0.000 0.443 43 G N 2.724 111.479 108.800 -0.076 0.000 2.591 43 G HA2 -0.340 3.626 3.960 0.009 0.000 0.298 43 G HA3 -0.340 3.626 3.960 0.009 0.000 0.298 43 G C 1.261 176.129 174.900 -0.053 0.000 1.195 43 G CA 1.683 46.751 45.100 -0.053 0.000 0.989 43 G HN 2.438 nan 8.290 nan 0.000 0.551 44 S N 0.434 116.118 115.700 -0.027 0.000 2.493 44 S HA -0.062 4.414 4.470 0.009 0.000 0.243 44 S C 1.911 176.502 174.600 -0.014 0.000 0.991 44 S CA 1.825 60.019 58.200 -0.010 0.000 0.957 44 S CB -0.165 63.035 63.200 0.001 0.000 0.756 44 S HN 0.703 nan 8.310 nan 0.000 0.521 45 R N 0.720 121.197 120.500 -0.038 0.000 2.300 45 R HA 0.228 4.573 4.340 0.009 0.000 0.199 45 R C 0.907 177.160 176.300 -0.079 0.000 0.920 45 R CA -0.189 55.887 56.100 -0.040 0.000 1.046 45 R CB -0.090 30.185 30.300 -0.042 0.000 0.984 45 R HN 0.442 nan 8.270 nan 0.000 0.493 46 R N 0.844 121.250 120.500 -0.157 0.000 2.585 46 R HA -0.118 4.227 4.340 0.009 0.000 0.275 46 R C -0.254 175.837 176.300 -0.349 0.000 1.018 46 R CA 0.546 56.422 56.100 -0.373 0.000 1.072 46 R CB 0.134 30.071 30.300 -0.606 0.000 0.953 46 R HN 0.078 nan 8.270 nan 0.000 0.419 47 F N -0.750 119.206 119.950 0.010 0.000 2.748 47 F HA -0.300 4.233 4.527 0.009 0.000 0.370 47 F C 0.091 175.875 175.800 -0.027 0.000 0.620 47 F CA 0.601 58.584 58.000 -0.030 0.000 1.233 47 F CB -1.448 37.523 39.000 -0.049 0.000 1.708 47 F HN 0.445 nan 8.300 nan 0.000 0.298 48 M N 1.103 120.762 119.600 0.097 0.000 2.342 48 M HA 0.404 4.889 4.480 0.009 0.000 0.332 48 M C -1.873 174.452 176.300 0.041 0.000 1.166 48 M CA -1.568 53.772 55.300 0.067 0.000 1.086 48 M CB 0.493 33.120 32.600 0.045 0.000 1.541 48 M HN -0.354 nan 8.290 nan 0.000 0.462 49 P HA 0.065 nan 4.420 nan 0.000 0.267 49 P C -2.417 174.910 177.300 0.044 0.000 1.201 49 P CA -0.431 62.699 63.100 0.050 0.000 0.775 49 P CB -0.594 31.145 31.700 0.065 0.000 0.854 50 P HA 0.177 nan 4.420 nan 0.000 0.275 50 P C -0.633 176.702 177.300 0.058 0.000 1.228 50 P CA 0.045 63.172 63.100 0.045 0.000 0.786 50 P CB 0.971 32.721 31.700 0.084 0.000 0.927 51 E N 3.139 123.359 120.200 0.033 0.000 2.204 51 E HA 0.357 4.713 4.350 0.009 0.000 0.276 51 E C -2.239 174.395 176.600 0.057 0.000 0.974 51 E CA -2.342 54.086 56.400 0.046 0.000 0.815 51 E CB 0.617 30.334 29.700 0.028 0.000 1.119 51 E HN 0.352 nan 8.360 nan 0.000 0.393 52 P HA -0.071 nan 4.420 nan 0.000 0.266 52 P C -0.633 176.728 177.300 0.102 0.000 1.195 52 P CA -0.119 63.056 63.100 0.126 0.000 0.768 52 P CB 0.398 32.176 31.700 0.131 0.000 0.838 53 K N 3.979 124.456 120.400 0.128 0.000 2.484 53 K HA -0.002 4.324 4.320 0.009 0.000 0.280 53 K C 0.086 176.781 176.600 0.158 0.000 1.013 53 K CA 0.526 56.894 56.287 0.134 0.000 1.029 53 K CB 0.080 32.703 32.500 0.206 0.000 0.902 53 K HN 0.286 nan 8.250 nan 0.000 0.481 54 R N 5.272 125.851 120.500 0.132 0.000 2.543 54 R HA 0.165 4.511 4.340 0.009 0.000 0.277 54 R C -1.986 174.402 176.300 0.146 0.000 1.074 54 R CA -1.691 54.474 56.100 0.108 0.000 1.076 54 R CB 0.042 30.393 30.300 0.085 0.000 0.993 54 R HN 0.577 nan 8.270 nan 0.000 0.459 55 P HA -0.082 nan 4.420 nan 0.000 0.267 55 P C -1.013 176.307 177.300 0.033 0.000 1.200 55 P CA 0.086 63.111 63.100 -0.126 0.000 0.772 55 P CB 0.304 31.890 31.700 -0.191 0.000 0.855 56 W N 1.089 122.423 121.300 0.056 0.000 2.578 56 W HA 0.696 5.361 4.660 0.009 0.000 0.364 56 W C -0.539 176.005 176.519 0.041 0.000 1.144 56 W CA -0.972 56.403 57.345 0.049 0.000 1.242 56 W CB 0.015 29.512 29.460 0.061 0.000 1.382 56 W HN 0.372 nan 8.180 nan 0.000 0.625 57 S N 1.249 117.123 115.700 0.289 0.000 2.549 57 S HA 0.837 5.313 4.470 0.009 0.000 0.297 57 S C 0.292 175.046 174.600 0.257 0.000 1.115 57 S CA 0.022 58.324 58.200 0.170 0.000 1.059 57 S CB 0.938 64.201 63.200 0.105 0.000 1.046 57 S HN 2.160 nan 8.310 nan 0.000 0.506 58 G N 0.610 109.519 108.800 0.183 0.000 2.693 58 G HA2 -0.132 3.833 3.960 0.009 0.000 0.226 58 G HA3 -0.132 3.833 3.960 0.009 0.000 0.226 58 G C -0.749 174.314 174.900 0.272 0.000 1.354 58 G CA -0.417 44.791 45.100 0.180 0.000 0.873 58 G HN 1.643 nan 8.290 nan 0.000 0.562 59 V N 0.939 120.973 119.914 0.200 0.000 2.364 59 V HA 0.496 4.622 4.120 0.009 0.000 0.272 59 V C 0.982 177.166 176.094 0.150 0.000 1.036 59 V CA -0.168 62.256 62.300 0.208 0.000 0.880 59 V CB 1.105 33.007 31.823 0.131 0.000 0.991 59 V HN 0.797 nan 8.190 nan 0.000 0.460 60 L N 4.820 126.135 121.223 0.153 0.000 2.360 60 L HA 0.293 4.639 4.340 0.009 0.000 0.276 60 L C 0.633 177.484 176.870 -0.032 0.000 1.121 60 L CA 0.115 54.883 54.840 -0.120 0.000 0.845 60 L CB 0.601 42.328 42.059 -0.553 0.000 1.143 60 L HN 0.680 nan 8.230 nan 0.000 0.452 61 D N 4.857 125.215 120.400 -0.069 0.000 2.339 61 D HA 0.144 4.790 4.640 0.009 0.000 0.256 61 D C -0.325 175.931 176.300 -0.073 0.000 1.214 61 D CA 0.029 53.999 54.000 -0.050 0.000 0.877 61 D CB 1.413 42.173 40.800 -0.066 0.000 1.111 61 D HN 0.683 nan 8.370 nan 0.000 0.478 62 A N 3.224 126.028 122.820 -0.027 0.000 3.041 62 A HA 0.179 4.505 4.320 0.009 0.000 0.307 62 A C 1.095 178.595 177.584 -0.141 0.000 1.116 62 A CA -0.422 51.591 52.037 -0.041 0.000 1.001 62 A CB -0.123 18.957 19.000 0.135 0.000 1.112 62 A HN 0.573 nan 8.150 nan 0.000 0.556 63 T N -3.264 111.188 114.554 -0.170 0.000 3.001 63 T HA 0.220 4.576 4.350 0.009 0.000 0.251 63 T C 0.774 175.314 174.700 -0.266 0.000 1.040 63 T CA 0.837 62.807 62.100 -0.217 0.000 0.985 63 T CB -0.198 68.575 68.868 -0.157 0.000 1.011 63 T HN 0.655 nan 8.240 nan 0.000 0.509 64 T N -0.431 113.966 114.554 -0.262 0.000 2.906 64 T HA 0.696 5.052 4.350 0.009 0.000 0.295 64 T C -0.725 173.803 174.700 -0.286 0.000 1.061 64 T CA -0.926 61.015 62.100 -0.266 0.000 1.000 64 T CB 1.072 69.851 68.868 -0.148 0.000 1.103 64 T HN 0.009 nan 8.240 nan 0.000 0.486 65 F N 2.040 121.919 119.950 -0.117 0.000 2.563 65 F HA 0.301 4.833 4.527 0.009 0.000 0.363 65 F C 1.473 177.172 175.800 -0.168 0.000 1.123 65 F CA -0.075 57.857 58.000 -0.114 0.000 1.307 65 F CB 0.449 39.409 39.000 -0.066 0.000 1.115 65 F HN 0.478 nan 8.300 nan 0.000 0.592 66 Q N 1.430 121.233 119.800 0.004 0.000 2.162 66 Q HA 0.218 4.563 4.340 0.009 0.000 0.197 66 Q C -0.186 175.745 176.000 -0.116 0.000 1.013 66 Q CA -0.778 54.882 55.803 -0.239 0.000 1.040 66 Q CB 0.603 28.909 28.738 -0.719 0.000 1.114 66 Q HN 0.517 nan 8.270 nan 0.000 0.547 67 N N -0.186 118.418 118.700 -0.161 0.000 2.395 67 N HA -0.002 4.743 4.740 0.009 0.000 0.246 67 N C -0.533 174.962 175.510 -0.025 0.000 1.246 67 N CA 0.169 53.174 53.050 -0.075 0.000 0.879 67 N CB 0.343 38.801 38.487 -0.049 0.000 1.098 67 N HN 0.173 nan 8.380 nan 0.000 0.444 68 V N 1.680 121.552 119.914 -0.070 0.000 2.607 68 V HA 0.095 4.221 4.120 0.009 0.000 0.289 68 V C 0.646 176.693 176.094 -0.079 0.000 1.053 68 V CA -0.843 61.407 62.300 -0.084 0.000 0.996 68 V CB 1.096 32.834 31.823 -0.142 0.000 0.995 68 V HN 0.708 nan 8.190 nan 0.000 0.476 69 c N 4.169 122.744 118.600 -0.042 0.000 2.657 69 c HA 0.113 4.689 4.570 0.009 0.000 0.420 69 c C 0.494 174.554 174.090 -0.051 0.000 1.323 69 c CA -0.557 55.755 56.329 -0.028 0.000 1.894 69 c CB -0.998 41.527 42.510 0.025 0.000 2.681 69 c HN 0.758 nan 8.230 nan 0.000 0.613 70 Y N 3.787 123.965 120.300 -0.203 0.000 2.717 70 Y HA 0.239 4.794 4.550 0.009 0.000 0.330 70 Y C 0.829 176.756 175.900 0.045 0.000 1.217 70 Y CA 0.989 58.972 58.100 -0.194 0.000 1.506 70 Y CB 0.171 38.302 38.460 -0.548 0.000 1.268 70 Y HN 0.740 nan 8.280 nan 0.000 0.561 71 Q N 4.095 124.001 119.800 0.176 0.000 2.522 71 Q HA 0.207 4.553 4.340 0.009 0.000 0.285 71 Q C -1.778 174.419 176.000 0.329 0.000 0.982 71 Q CA -1.219 54.779 55.803 0.325 0.000 0.805 71 Q CB 1.223 30.086 28.738 0.208 0.000 1.457 71 Q HN 0.669 nan 8.270 nan 0.000 0.394 72 Y N 1.187 121.700 120.300 0.355 0.000 2.712 72 Y HA 0.275 4.830 4.550 0.009 0.000 0.333 72 Y C -0.955 175.125 175.900 0.300 0.000 1.225 72 Y CA 0.483 58.806 58.100 0.371 0.000 1.499 72 Y CB 0.769 39.557 38.460 0.546 0.000 1.288 72 Y HN 0.434 nan 8.280 nan 0.000 0.575 73 V N 7.040 126.710 119.914 -0.407 0.000 2.448 73 V HA 0.095 4.221 4.120 0.009 0.000 0.295 73 V C -0.181 175.619 176.094 -0.490 0.000 1.025 73 V CA -1.238 60.894 62.300 -0.280 0.000 0.859 73 V CB 1.468 33.187 31.823 -0.173 0.000 0.988 73 V HN 0.793 nan 8.190 nan 0.000 0.431 74 D N 3.385 123.736 120.400 -0.083 0.000 2.458 74 D HA 0.028 4.674 4.640 0.009 0.000 0.243 74 D C 0.826 177.161 176.300 0.059 0.000 1.146 74 D CA 0.554 54.626 54.000 0.119 0.000 0.877 74 D CB 1.641 42.651 40.800 0.350 0.000 1.176 74 D HN 0.784 nan 8.370 nan 0.000 0.461 75 T N 1.204 115.799 114.554 0.068 0.000 3.043 75 T HA -0.003 4.352 4.350 0.009 0.000 0.272 75 T C 1.727 176.438 174.700 0.018 0.000 0.990 75 T CA -0.441 61.680 62.100 0.035 0.000 0.897 75 T CB 0.195 69.062 68.868 -0.001 0.000 1.111 75 T HN 0.250 nan 8.240 nan 0.000 0.529 76 L N 0.975 122.212 121.223 0.023 0.000 2.012 76 L HA 0.125 4.470 4.340 0.009 0.000 0.210 76 L C -0.208 176.369 176.870 -0.488 0.000 1.073 76 L CA 1.658 56.328 54.840 -0.284 0.000 0.748 76 L CB -0.498 41.301 42.059 -0.432 0.000 0.891 76 L HN 0.418 nan 8.230 nan 0.000 0.431 77 Y N -0.306 120.027 120.300 0.054 0.000 2.787 77 Y HA 0.427 4.983 4.550 0.009 0.000 0.352 77 Y C -2.209 173.731 175.900 0.067 0.000 1.027 77 Y CA -3.472 54.630 58.100 0.004 0.000 1.219 77 Y CB -0.081 38.328 38.460 -0.086 0.000 1.110 77 Y HN 0.080 nan 8.280 nan 0.000 0.614 78 P HA 0.177 nan 4.420 nan 0.000 0.267 78 P C 0.998 178.361 177.300 0.103 0.000 1.209 78 P CA 1.205 64.366 63.100 0.102 0.000 0.763 78 P CB 0.865 32.596 31.700 0.052 0.000 0.816 79 G N 2.279 111.127 108.800 0.080 0.000 2.195 79 G HA2 -0.263 3.703 3.960 0.009 0.000 0.246 79 G HA3 -0.263 3.703 3.960 0.009 0.000 0.246 79 G C -0.170 174.769 174.900 0.064 0.000 0.984 79 G CA -0.430 44.699 45.100 0.048 0.000 0.633 79 G HN 0.536 nan 8.290 nan 0.000 0.525 80 F N 2.154 122.058 119.950 -0.077 0.000 2.411 80 F HA 0.627 5.159 4.527 0.009 0.000 0.350 80 F C 1.250 176.940 175.800 -0.185 0.000 1.114 80 F CA -0.514 57.386 58.000 -0.167 0.000 1.135 80 F CB 1.274 40.141 39.000 -0.222 0.000 1.120 80 F HN 0.173 nan 8.300 nan 0.000 0.495 81 E N 3.710 123.448 120.200 -0.770 0.000 2.118 81 E HA -0.146 4.210 4.350 0.009 0.000 0.195 81 E C 2.040 178.138 176.600 -0.837 0.000 0.992 81 E CA 1.415 57.411 56.400 -0.673 0.000 0.804 81 E CB -0.274 29.106 29.700 -0.533 0.000 0.741 81 E HN 1.025 nan 8.360 nan 0.000 0.458 82 G N -0.108 107.666 108.800 -1.709 0.000 2.462 82 G HA2 -0.312 3.654 3.960 0.009 0.000 0.220 82 G HA3 -0.312 3.654 3.960 0.009 0.000 0.220 82 G C 1.645 176.551 174.900 0.010 0.000 1.121 82 G CA 1.628 46.046 45.100 -1.136 0.000 0.758 82 G HN 0.483 nan 8.290 nan 0.000 0.559 83 T N -2.143 112.410 114.554 -0.003 0.000 3.021 83 T HA 0.133 4.489 4.350 0.009 0.000 0.245 83 T C 1.911 176.776 174.700 0.274 0.000 1.028 83 T CA 0.742 63.142 62.100 0.500 0.000 1.139 83 T CB 0.001 69.217 68.868 0.580 0.000 0.884 83 T HN 0.121 nan 8.240 nan 0.000 0.457 84 E N 2.237 122.455 120.200 0.030 0.000 2.204 84 E HA -0.083 4.273 4.350 0.009 0.000 0.195 84 E C 2.235 178.744 176.600 -0.151 0.000 0.990 84 E CA 1.243 57.621 56.400 -0.037 0.000 0.821 84 E CB -0.482 29.168 29.700 -0.085 0.000 0.750 84 E HN 0.793 nan 8.360 nan 0.000 0.477 85 M N -2.260 117.155 119.600 -0.308 0.000 2.446 85 M HA -0.083 4.403 4.480 0.009 0.000 0.263 85 M C 1.125 177.020 176.300 -0.675 0.000 1.066 85 M CA 1.419 56.385 55.300 -0.557 0.000 1.087 85 M CB -0.506 31.642 32.600 -0.754 0.000 1.406 85 M HN 0.003 nan 8.290 nan 0.000 0.459 86 W N 0.761 121.999 121.300 -0.103 0.000 3.220 86 W HA 0.321 4.986 4.660 0.009 0.000 0.328 86 W C 0.303 176.752 176.519 -0.117 0.000 1.205 86 W CA -0.957 56.312 57.345 -0.127 0.000 1.773 86 W CB -0.099 29.334 29.460 -0.043 0.000 1.086 86 W HN 0.095 nan 8.180 nan 0.000 0.622 87 N N 1.456 120.191 118.700 0.059 0.000 2.483 87 N HA 0.187 4.932 4.740 0.009 0.000 0.269 87 N C -2.418 173.043 175.510 -0.081 0.000 1.209 87 N CA -1.671 51.387 53.050 0.012 0.000 0.969 87 N CB 0.006 38.498 38.487 0.008 0.000 1.173 87 N HN -0.342 nan 8.380 nan 0.000 0.475 88 P HA 0.073 nan 4.420 nan 0.000 0.265 88 P C 0.153 177.365 177.300 -0.146 0.000 1.193 88 P CA 0.048 63.063 63.100 -0.141 0.000 0.765 88 P CB 0.341 31.955 31.700 -0.144 0.000 0.823 89 N N 1.955 120.551 118.700 -0.172 0.000 2.200 89 N HA 0.086 4.832 4.740 0.009 0.000 0.224 89 N C 0.132 175.562 175.510 -0.133 0.000 1.179 89 N CA -0.022 52.932 53.050 -0.160 0.000 0.877 89 N CB 0.458 38.827 38.487 -0.197 0.000 1.072 89 N HN 0.164 nan 8.380 nan 0.000 0.519 90 R N 0.171 120.593 120.500 -0.130 0.000 2.869 90 R HA 0.269 4.615 4.340 0.009 0.000 0.263 90 R C -0.619 175.614 176.300 -0.112 0.000 1.066 90 R CA -0.693 55.347 56.100 -0.100 0.000 0.960 90 R CB 0.959 31.209 30.300 -0.082 0.000 1.221 90 R HN 0.299 nan 8.270 nan 0.000 0.474 91 E N 1.483 121.623 120.200 -0.100 0.000 2.452 91 E HA 0.007 4.363 4.350 0.009 0.000 0.261 91 E C -0.577 175.937 176.600 -0.142 0.000 0.987 91 E CA -0.041 56.294 56.400 -0.109 0.000 0.926 91 E CB 0.511 30.162 29.700 -0.082 0.000 0.934 91 E HN 0.280 nan 8.360 nan 0.000 0.452 92 L N 3.722 124.817 121.223 -0.212 0.000 2.367 92 L HA 0.242 4.588 4.340 0.009 0.000 0.275 92 L C 0.295 177.045 176.870 -0.200 0.000 1.129 92 L CA 0.017 54.652 54.840 -0.342 0.000 0.839 92 L CB 1.139 42.745 42.059 -0.754 0.000 1.133 92 L HN 0.469 nan 8.230 nan 0.000 0.453 93 S N 1.166 116.813 115.700 -0.087 0.000 2.547 93 S HA 0.230 4.705 4.470 0.009 0.000 0.270 93 S C 0.282 174.890 174.600 0.013 0.000 1.150 93 S CA -0.684 57.549 58.200 0.054 0.000 0.850 93 S CB 1.603 64.809 63.200 0.010 0.000 1.118 93 S HN 0.737 nan 8.310 nan 0.000 0.461 94 E N 0.841 121.010 120.200 -0.051 0.000 2.274 94 E HA -0.060 4.295 4.350 0.009 0.000 0.194 94 E C -0.342 176.199 176.600 -0.099 0.000 0.996 94 E CA 0.483 56.774 56.400 -0.183 0.000 0.840 94 E CB 0.063 29.603 29.700 -0.266 0.000 0.772 94 E HN 0.539 nan 8.360 nan 0.000 0.491 95 D N 0.489 120.867 120.400 -0.036 0.000 2.435 95 D HA -0.009 4.636 4.640 0.009 0.000 0.230 95 D C 0.090 176.467 176.300 0.129 0.000 1.215 95 D CA -0.232 53.779 54.000 0.017 0.000 0.947 95 D CB 0.030 40.858 40.800 0.048 0.000 1.048 95 D HN 0.153 nan 8.370 nan 0.000 0.512 96 c N 2.568 121.210 118.600 0.069 0.000 4.015 96 c HA 0.365 4.941 4.570 0.009 0.000 0.323 96 c C 0.567 174.710 174.090 0.088 0.000 1.724 96 c CA -0.644 55.786 56.329 0.169 0.000 1.828 96 c CB -1.187 41.361 42.510 0.063 0.000 3.083 96 c HN 0.437 nan 8.230 nan 0.000 0.640 97 L N 2.594 123.608 121.223 -0.349 0.000 2.399 97 L HA 0.419 4.764 4.340 0.009 0.000 0.257 97 L C -0.934 175.310 176.870 -1.044 0.000 1.236 97 L CA 0.361 54.794 54.840 -0.678 0.000 1.144 97 L CB -0.577 40.941 42.059 -0.901 0.000 1.379 97 L HN 0.385 nan 8.230 nan 0.000 0.414 98 Y N 1.772 122.037 120.300 -0.059 0.000 2.570 98 Y HA 0.659 5.215 4.550 0.009 0.000 0.345 98 Y C -0.051 176.025 175.900 0.292 0.000 1.014 98 Y CA -1.203 56.935 58.100 0.064 0.000 1.063 98 Y CB 2.010 40.470 38.460 0.000 0.000 1.272 98 Y HN 0.189 nan 8.280 nan 0.000 0.477 99 L N -0.210 121.190 121.223 0.295 0.000 2.327 99 L HA 0.771 5.116 4.340 0.009 0.000 0.258 99 L C -1.354 175.516 176.870 -0.000 0.000 1.024 99 L CA -1.187 53.718 54.840 0.108 0.000 0.825 99 L CB 1.793 43.756 42.059 -0.160 0.000 1.386 99 L HN 0.462 nan 8.230 nan 0.000 0.417 100 N N 0.193 118.890 118.700 -0.005 0.000 2.238 100 N HA 0.724 5.469 4.740 0.009 0.000 0.302 100 N C -1.486 173.910 175.510 -0.190 0.000 1.072 100 N CA -0.408 52.546 53.050 -0.160 0.000 0.792 100 N CB 2.857 41.255 38.487 -0.148 0.000 1.425 100 N HN 0.518 nan 8.380 nan 0.000 0.478 101 V N 1.476 121.200 119.914 -0.316 0.000 2.588 101 V HA 0.490 4.615 4.120 0.009 0.000 0.304 101 V C -0.743 175.253 176.094 -0.162 0.000 1.042 101 V CA -0.790 61.417 62.300 -0.156 0.000 0.877 101 V CB 2.194 33.804 31.823 -0.355 0.000 0.996 101 V HN 0.541 nan 8.190 nan 0.000 0.425 102 W N 2.707 124.090 121.300 0.138 0.000 2.666 102 W HA 0.710 5.377 4.660 0.010 0.000 0.334 102 W C 0.128 176.746 176.519 0.165 0.000 1.051 102 W CA -0.438 56.994 57.345 0.146 0.000 1.224 102 W CB 2.472 32.001 29.460 0.115 0.000 1.405 102 W HN 0.670 nan 8.180 nan 0.000 0.513 103 T N -0.026 114.773 114.554 0.410 0.000 2.864 103 T HA 0.510 4.866 4.350 0.009 0.000 0.299 103 T C -2.880 171.988 174.700 0.280 0.000 1.166 103 T CA -2.263 60.032 62.100 0.325 0.000 1.007 103 T CB 2.106 71.183 68.868 0.350 0.000 1.219 103 T HN -0.092 nan 8.240 nan 0.000 0.506 104 P HA 0.182 nan 4.420 nan 0.000 0.270 104 P C -1.575 175.870 177.300 0.242 0.000 1.221 104 P CA -0.028 63.189 63.100 0.194 0.000 0.788 104 P CB 0.053 31.837 31.700 0.140 0.000 0.904 105 Y N 2.241 122.594 120.300 0.089 0.000 2.338 105 Y HA 0.416 4.971 4.550 0.009 0.000 0.333 105 Y C -2.198 173.737 175.900 0.057 0.000 0.968 105 Y CA -2.478 55.668 58.100 0.076 0.000 1.123 105 Y CB 1.078 39.568 38.460 0.051 0.000 1.165 105 Y HN 0.334 nan 8.280 nan 0.000 0.452 106 P HA 0.176 nan 4.420 nan 0.000 0.271 106 P C -0.798 176.462 177.300 -0.067 0.000 1.244 106 P CA -0.245 62.642 63.100 -0.355 0.000 0.793 106 P CB 0.963 32.491 31.700 -0.287 0.000 0.984 107 R N 0.753 121.238 120.500 -0.024 0.000 2.734 107 R HA 0.183 4.528 4.340 0.009 0.000 0.266 107 R C -1.839 174.494 176.300 0.055 0.000 1.044 107 R CA -1.064 55.087 56.100 0.084 0.000 1.128 107 R CB -0.927 29.444 30.300 0.120 0.000 1.010 107 R HN 0.432 nan 8.270 nan 0.000 0.461 108 P HA -0.020 nan 4.420 nan 0.000 0.269 108 P C -0.401 176.920 177.300 0.035 0.000 1.209 108 P CA 0.211 63.345 63.100 0.057 0.000 0.776 108 P CB 0.787 32.530 31.700 0.072 0.000 0.876 109 A N 1.431 124.263 122.820 0.021 0.000 2.044 109 A HA 0.152 4.478 4.320 0.009 0.000 0.213 109 A C 0.911 178.499 177.584 0.008 0.000 1.169 109 A CA 0.856 52.898 52.037 0.008 0.000 0.724 109 A CB -0.469 18.532 19.000 0.001 0.000 0.840 109 A HN 0.598 nan 8.150 nan 0.000 0.463 110 S N -0.342 115.366 115.700 0.013 0.000 2.621 110 S HA 0.657 5.132 4.470 0.009 0.000 0.302 110 S C -3.217 171.393 174.600 0.017 0.000 1.093 110 S CA -1.775 56.431 58.200 0.009 0.000 1.017 110 S CB 1.161 64.364 63.200 0.006 0.000 1.077 110 S HN -0.011 nan 8.310 nan 0.000 0.517 111 P HA 0.244 nan 4.420 nan 0.000 0.263 111 P C -0.770 176.542 177.300 0.020 0.000 1.195 111 P CA 0.148 63.258 63.100 0.017 0.000 0.762 111 P CB 0.256 31.957 31.700 0.002 0.000 0.799 112 T N 5.477 120.055 114.554 0.039 0.000 2.807 112 T HA 0.410 4.766 4.350 0.009 0.000 0.279 112 T C -2.488 172.239 174.700 0.044 0.000 0.993 112 T CA -1.872 60.254 62.100 0.043 0.000 0.970 112 T CB 0.964 69.872 68.868 0.066 0.000 0.950 112 T HN 0.140 nan 8.240 nan 0.000 0.441 113 P HA 0.121 nan 4.420 nan 0.000 0.264 113 P C -0.831 176.505 177.300 0.061 0.000 1.183 113 P CA -0.175 62.938 63.100 0.022 0.000 0.763 113 P CB 0.375 32.073 31.700 -0.004 0.000 0.807 114 V N 5.064 125.029 119.914 0.084 0.000 2.483 114 V HA 0.352 4.477 4.120 0.009 0.000 0.295 114 V C 0.324 176.506 176.094 0.146 0.000 1.035 114 V CA -0.537 61.841 62.300 0.130 0.000 0.896 114 V CB 1.365 33.279 31.823 0.152 0.000 0.986 114 V HN 0.359 nan 8.190 nan 0.000 0.447 115 L N 5.471 126.800 121.223 0.176 0.000 2.313 115 L HA 0.610 4.956 4.340 0.009 0.000 0.283 115 L C -0.737 176.373 176.870 0.400 0.000 1.013 115 L CA -0.344 54.631 54.840 0.226 0.000 0.816 115 L CB 1.788 43.889 42.059 0.070 0.000 1.236 115 L HN 0.498 nan 8.230 nan 0.000 0.419 116 I N 2.903 123.745 120.570 0.453 0.000 2.389 116 I HA 0.226 4.402 4.170 0.009 0.000 0.288 116 I C -0.689 175.691 176.117 0.438 0.000 0.999 116 I CA -0.422 61.112 61.300 0.390 0.000 1.129 116 I CB 1.525 39.638 38.000 0.189 0.000 1.288 116 I HN 0.619 nan 8.210 nan 0.000 0.444 117 W N 8.498 129.875 121.300 0.128 0.000 2.351 117 W HA 0.571 5.236 4.660 0.008 0.000 0.311 117 W C -1.504 174.917 176.519 -0.164 0.000 1.168 117 W CA -0.616 56.588 57.345 -0.235 0.000 1.200 117 W CB 1.181 30.528 29.460 -0.188 0.000 1.221 117 W HN 0.351 nan 8.180 nan 0.000 0.519 118 I N 9.053 129.020 120.570 -1.005 0.000 2.411 118 I HA 0.078 4.253 4.170 0.009 0.000 0.284 118 I C -0.224 175.090 176.117 -1.339 0.000 1.012 118 I CA -1.131 59.629 61.300 -0.901 0.000 1.119 118 I CB 0.695 38.335 38.000 -0.601 0.000 1.261 118 I HN 0.309 nan 8.210 nan 0.000 0.448 119 Y N 4.601 124.376 120.300 -0.876 0.000 2.426 119 Y HA 0.656 5.211 4.550 0.009 0.000 0.344 119 Y C 0.742 176.448 175.900 -0.323 0.000 1.256 119 Y CA -0.678 57.034 58.100 -0.647 0.000 1.451 119 Y CB -0.004 38.306 38.460 -0.249 0.000 1.342 119 Y HN 0.524 nan 8.280 nan 0.000 0.600 120 G N -0.954 107.834 108.800 -0.020 0.000 2.671 120 G HA2 0.501 4.467 3.960 0.009 0.000 0.275 120 G HA3 0.501 4.467 3.960 0.009 0.000 0.275 120 G C 0.252 175.094 174.900 -0.096 0.000 1.368 120 G CA -0.973 44.051 45.100 -0.127 0.000 1.044 120 G HN 1.723 nan 8.290 nan 0.000 0.543 121 G N -2.778 105.811 108.800 -0.352 0.000 2.165 121 G HA2 0.400 4.365 3.960 0.009 0.000 0.144 121 G HA3 0.400 4.365 3.960 0.009 0.000 0.144 121 G C 1.055 175.444 174.900 -0.853 0.000 1.049 121 G CA 0.735 45.508 45.100 -0.544 0.000 0.741 121 G HN 2.385 nan 8.290 nan 0.000 0.493 122 G N -0.639 107.648 108.800 -0.855 0.000 2.168 122 G HA2 -0.116 3.849 3.960 0.009 0.000 0.257 122 G HA3 -0.116 3.849 3.960 0.009 0.000 0.257 122 G C 0.898 175.489 174.900 -0.516 0.000 0.997 122 G CA 0.748 45.046 45.100 -1.337 0.000 0.708 122 G HN 1.776 nan 8.290 nan 0.000 0.520 123 F N -3.137 116.669 119.950 -0.241 0.000 2.935 123 F HA -0.322 4.211 4.527 0.009 0.000 0.317 123 F C 1.475 177.355 175.800 0.133 0.000 0.699 123 F CA 2.237 60.211 58.000 -0.043 0.000 1.127 123 F CB -2.047 36.771 39.000 -0.304 0.000 1.491 123 F HN 0.933 nan 8.300 nan 0.000 0.337 124 Y N -1.015 119.359 120.300 0.124 0.000 2.445 124 Y HA 0.644 5.199 4.550 0.009 0.000 0.247 124 Y C 0.601 176.617 175.900 0.194 0.000 1.129 124 Y CA 0.301 58.505 58.100 0.172 0.000 1.251 124 Y CB 0.060 38.555 38.460 0.059 0.000 1.176 124 Y HN 0.088 nan 8.280 nan 0.000 0.522 125 S N -0.862 114.634 115.700 -0.342 0.000 2.643 125 S HA 0.870 5.345 4.470 0.009 0.000 0.270 125 S C -0.217 174.250 174.600 -0.222 0.000 1.166 125 S CA -0.477 57.563 58.200 -0.267 0.000 0.815 125 S CB 1.470 64.394 63.200 -0.460 0.000 1.139 125 S HN 1.364 nan 8.310 nan 0.000 0.472 126 G N -0.627 108.007 108.800 -0.276 0.000 2.440 126 G HA2 0.544 4.510 3.960 0.009 0.000 0.684 126 G HA3 0.544 4.510 3.960 0.009 0.000 0.684 126 G C -0.687 173.601 174.900 -1.019 0.000 1.309 126 G CA -0.228 44.546 45.100 -0.543 0.000 0.931 126 G HN 2.231 nan 8.290 nan 0.000 0.612 127 A N -1.153 120.925 122.820 -1.237 0.000 2.577 127 A HA 0.989 5.315 4.320 0.009 0.000 0.297 127 A C 0.591 177.958 177.584 -0.361 0.000 1.060 127 A CA 0.627 52.193 52.037 -0.785 0.000 0.697 127 A CB 1.021 19.804 19.000 -0.361 0.000 1.281 127 A HN 2.585 nan 8.150 nan 0.000 0.402 128 A N 0.650 123.498 122.820 0.047 0.000 2.206 128 A HA 0.232 4.558 4.320 0.009 0.000 0.211 128 A C 1.674 179.354 177.584 0.159 0.000 1.158 128 A CA 1.784 54.041 52.037 0.367 0.000 0.761 128 A CB -0.534 18.750 19.000 0.475 0.000 0.801 128 A HN 1.807 nan 8.150 nan 0.000 0.473 129 S N -0.619 114.942 115.700 -0.231 0.000 2.556 129 S HA 0.344 4.819 4.470 0.009 0.000 0.216 129 S C 0.441 174.617 174.600 -0.708 0.000 0.970 129 S CA -0.477 57.154 58.200 -0.949 0.000 0.912 129 S CB -0.543 61.985 63.200 -1.120 0.000 0.790 129 S HN 0.373 nan 8.310 nan 0.000 0.504 130 L N 2.086 123.063 121.223 -0.409 0.000 2.461 130 L HA 0.211 4.556 4.340 0.009 0.000 0.272 130 L C 1.144 177.698 176.870 -0.527 0.000 1.197 130 L CA -0.523 54.008 54.840 -0.514 0.000 0.836 130 L CB 0.222 41.856 42.059 -0.707 0.000 1.105 130 L HN 0.050 nan 8.230 nan 0.000 0.477 131 D N 1.011 121.130 120.400 -0.468 0.000 2.182 131 D HA -0.143 4.502 4.640 0.009 0.000 0.201 131 D C 1.946 177.979 176.300 -0.445 0.000 0.986 131 D CA 1.275 55.063 54.000 -0.353 0.000 0.847 131 D CB 0.012 40.636 40.800 -0.292 0.000 0.942 131 D HN 0.517 nan 8.370 nan 0.000 0.467 132 V N -1.588 117.910 119.914 -0.694 0.000 3.141 132 V HA -0.116 4.010 4.120 0.009 0.000 0.265 132 V C 0.952 176.448 176.094 -0.997 0.000 1.126 132 V CA 0.907 62.758 62.300 -0.748 0.000 1.141 132 V CB -1.091 30.254 31.823 -0.797 0.000 0.743 132 V HN 0.058 nan 8.190 nan 0.000 0.492 133 Y N 0.267 119.992 120.300 -0.959 0.000 2.571 133 Y HA 0.453 5.008 4.550 0.009 0.000 0.275 133 Y C 0.788 176.093 175.900 -0.991 0.000 1.179 133 Y CA -1.980 55.177 58.100 -1.573 0.000 1.242 133 Y CB -0.728 37.204 38.460 -0.881 0.000 1.126 133 Y HN 0.244 nan 8.280 nan 0.000 0.524 134 D N 0.782 120.881 120.400 -0.501 0.000 2.363 134 D HA 0.061 4.707 4.640 0.009 0.000 0.263 134 D C 1.421 177.445 176.300 -0.459 0.000 1.258 134 D CA 0.368 54.170 54.000 -0.331 0.000 0.907 134 D CB 1.237 41.985 40.800 -0.087 0.000 1.107 134 D HN 0.458 nan 8.370 nan 0.000 0.495 135 G N 3.977 111.925 108.800 -1.420 0.000 2.848 135 G HA2 -0.185 3.781 3.960 0.009 0.000 0.208 135 G HA3 -0.185 3.781 3.960 0.009 0.000 0.208 135 G C 1.466 175.854 174.900 -0.853 0.000 1.152 135 G CA 0.303 44.687 45.100 -1.194 0.000 0.789 135 G HN 0.626 nan 8.290 nan 0.000 0.531 136 R N -0.728 119.265 120.500 -0.845 0.000 2.115 136 R HA 0.034 4.380 4.340 0.009 0.000 0.230 136 R C 1.702 177.755 176.300 -0.411 0.000 1.111 136 R CA 1.143 56.941 56.100 -0.504 0.000 0.976 136 R CB -0.626 29.380 30.300 -0.490 0.000 0.870 136 R HN 0.319 nan 8.270 nan 0.000 0.445 137 F N 1.450 121.326 119.950 -0.125 0.000 2.163 137 F HA 0.066 4.599 4.527 0.010 0.000 0.297 137 F C 2.252 178.001 175.800 -0.086 0.000 1.094 137 F CA 0.705 58.652 58.000 -0.090 0.000 1.290 137 F CB -0.517 38.420 39.000 -0.105 0.000 1.017 137 F HN -0.138 nan 8.300 nan 0.000 0.483 138 L N -0.050 121.211 121.223 0.064 0.000 2.046 138 L HA -0.218 4.128 4.340 0.009 0.000 0.208 138 L C 2.735 179.613 176.870 0.015 0.000 1.077 138 L CA 1.243 56.077 54.840 -0.010 0.000 0.747 138 L CB -0.929 41.074 42.059 -0.093 0.000 0.896 138 L HN 0.188 nan 8.230 nan 0.000 0.432 139 A N -1.086 121.747 122.820 0.023 0.000 1.873 139 A HA -0.235 4.091 4.320 0.009 0.000 0.215 139 A C 2.282 179.909 177.584 0.072 0.000 1.186 139 A CA 1.501 53.587 52.037 0.082 0.000 0.616 139 A CB -0.496 18.596 19.000 0.154 0.000 0.823 139 A HN 0.384 nan 8.150 nan 0.000 0.442 140 Q N -0.091 119.735 119.800 0.044 0.000 2.016 140 Q HA -0.086 4.259 4.340 0.009 0.000 0.200 140 Q C 2.223 178.253 176.000 0.050 0.000 0.978 140 Q CA 2.095 57.926 55.803 0.047 0.000 0.833 140 Q CB -0.351 28.397 28.738 0.016 0.000 0.895 140 Q HN 0.409 nan 8.270 nan 0.000 0.427 141 V N 1.236 121.180 119.914 0.051 0.000 2.407 141 V HA -0.116 4.009 4.120 0.009 0.000 0.245 141 V C 1.813 177.924 176.094 0.028 0.000 1.041 141 V CA 1.583 63.908 62.300 0.041 0.000 1.040 141 V CB -0.206 31.642 31.823 0.043 0.000 0.671 141 V HN 0.250 nan 8.190 nan 0.000 0.455 142 E N -0.264 119.951 120.200 0.024 0.000 2.476 142 E HA 0.196 4.551 4.350 0.009 0.000 0.199 142 E C 1.695 178.313 176.600 0.031 0.000 1.021 142 E CA 0.756 57.167 56.400 0.018 0.000 0.907 142 E CB 0.572 30.274 29.700 0.002 0.000 0.974 142 E HN 0.605 nan 8.360 nan 0.000 0.489 143 G N 1.731 110.559 108.800 0.047 0.000 2.160 143 G HA2 -0.306 3.659 3.960 0.009 0.000 0.251 143 G HA3 -0.306 3.659 3.960 0.009 0.000 0.251 143 G C 0.494 175.437 174.900 0.072 0.000 1.008 143 G CA 0.345 45.482 45.100 0.062 0.000 0.724 143 G HN 0.477 nan 8.290 nan 0.000 0.514 144 A N -0.701 122.160 122.820 0.069 0.000 2.371 144 A HA 0.690 5.016 4.320 0.009 0.000 0.257 144 A C 0.557 178.221 177.584 0.134 0.000 1.089 144 A CA 0.165 52.250 52.037 0.080 0.000 0.794 144 A CB 1.085 20.113 19.000 0.047 0.000 1.029 144 A HN 1.146 nan 8.150 nan 0.000 0.488 145 V N 3.042 123.044 119.914 0.147 0.000 2.364 145 V HA 0.378 4.504 4.120 0.009 0.000 0.272 145 V C -0.078 176.151 176.094 0.225 0.000 1.036 145 V CA -0.066 62.351 62.300 0.195 0.000 0.880 145 V CB 0.660 32.588 31.823 0.175 0.000 0.991 145 V HN 0.722 nan 8.190 nan 0.000 0.460 146 L N 6.287 127.699 121.223 0.315 0.000 2.362 146 L HA 0.780 5.125 4.340 0.009 0.000 0.275 146 L C -0.906 176.258 176.870 0.490 0.000 0.998 146 L CA -0.306 54.769 54.840 0.391 0.000 0.820 146 L CB 1.957 44.239 42.059 0.372 0.000 1.270 146 L HN 0.435 nan 8.230 nan 0.000 0.415 147 V N 3.027 123.202 119.914 0.434 0.000 2.604 147 V HA 0.711 4.836 4.120 0.009 0.000 0.305 147 V C -0.494 175.853 176.094 0.420 0.000 1.043 147 V CA -0.439 62.075 62.300 0.357 0.000 0.888 147 V CB 1.991 33.951 31.823 0.229 0.000 0.995 147 V HN 0.841 nan 8.190 nan 0.000 0.429 148 S N 5.282 121.230 115.700 0.413 0.000 2.547 148 S HA 0.845 5.321 4.470 0.009 0.000 0.281 148 S C -0.834 173.930 174.600 0.274 0.000 1.118 148 S CA -0.804 57.645 58.200 0.415 0.000 0.947 148 S CB 2.116 65.694 63.200 0.630 0.000 1.053 148 S HN 0.868 nan 8.310 nan 0.000 0.482 149 M N 1.673 121.392 119.600 0.198 0.000 2.598 149 M HA 0.643 5.129 4.480 0.009 0.000 0.317 149 M C -1.548 174.966 176.300 0.357 0.000 1.179 149 M CA -0.495 54.911 55.300 0.176 0.000 0.936 149 M CB 1.086 33.609 32.600 -0.129 0.000 1.713 149 M HN 0.548 nan 8.290 nan 0.000 0.460 150 N N 2.822 121.794 118.700 0.452 0.000 2.529 150 N HA 0.547 5.293 4.740 0.009 0.000 0.278 150 N C -1.423 174.359 175.510 0.454 0.000 1.146 150 N CA 0.119 53.448 53.050 0.466 0.000 0.980 150 N CB 0.526 39.221 38.487 0.348 0.000 1.124 150 N HN 0.717 nan 8.380 nan 0.000 0.458 151 Y N -1.747 118.725 120.300 0.287 0.000 2.524 151 Y HA 0.564 5.120 4.550 0.009 0.000 0.347 151 Y C -0.080 175.950 175.900 0.216 0.000 1.005 151 Y CA -1.329 56.890 58.100 0.199 0.000 1.025 151 Y CB 0.954 39.456 38.460 0.070 0.000 1.275 151 Y HN 0.203 nan 8.280 nan 0.000 0.460 152 R N 1.920 122.562 120.500 0.236 0.000 2.623 152 R HA 0.473 4.819 4.340 0.009 0.000 0.271 152 R C -0.355 176.100 176.300 0.259 0.000 1.043 152 R CA -0.098 56.099 56.100 0.161 0.000 1.083 152 R CB 0.824 31.177 30.300 0.089 0.000 0.974 152 R HN 0.722 nan 8.270 nan 0.000 0.436 153 V N -0.655 119.453 119.914 0.323 0.000 3.126 153 V HA 0.888 5.013 4.120 0.009 0.000 0.314 153 V C 0.653 177.067 176.094 0.534 0.000 1.138 153 V CA -0.109 62.497 62.300 0.510 0.000 1.034 153 V CB 1.293 33.324 31.823 0.346 0.000 1.075 153 V HN 0.983 nan 8.190 nan 0.000 0.442 154 G N 2.088 111.240 108.800 0.587 0.000 2.564 154 G HA2 -0.277 3.689 3.960 0.009 0.000 0.273 154 G HA3 -0.277 3.689 3.960 0.009 0.000 0.273 154 G C 1.019 176.037 174.900 0.196 0.000 1.242 154 G CA 1.351 46.700 45.100 0.413 0.000 0.951 154 G HN 2.395 nan 8.290 nan 0.000 0.564 155 T N -1.747 112.628 114.554 -0.298 0.000 2.759 155 T HA -0.080 4.275 4.350 0.009 0.000 0.269 155 T C 2.137 176.691 174.700 -0.245 0.000 1.042 155 T CA 2.595 64.279 62.100 -0.693 0.000 1.140 155 T CB -0.393 67.916 68.868 -0.932 0.000 0.864 155 T HN 0.592 nan 8.240 nan 0.000 0.455 156 F N 2.125 122.116 119.950 0.069 0.000 2.216 156 F HA 0.245 4.778 4.527 0.009 0.000 0.300 156 F C 2.738 178.522 175.800 -0.027 0.000 1.085 156 F CA 0.753 58.752 58.000 -0.001 0.000 1.326 156 F CB -0.889 38.086 39.000 -0.042 0.000 1.027 156 F HN 0.379 nan 8.300 nan 0.000 0.497 157 G N -2.089 106.758 108.800 0.079 0.000 2.656 157 G HA2 0.019 3.985 3.960 0.009 0.000 0.211 157 G HA3 0.019 3.985 3.960 0.009 0.000 0.211 157 G C 0.903 175.308 174.900 -0.824 0.000 1.137 157 G CA 0.256 45.118 45.100 -0.396 0.000 0.802 157 G HN 0.336 nan 8.290 nan 0.000 0.527 158 F N -0.669 119.356 119.950 0.124 0.000 2.915 158 F HA 0.431 4.963 4.527 0.010 0.000 0.347 158 F C 0.463 176.325 175.800 0.104 0.000 1.104 158 F CA -1.022 57.033 58.000 0.090 0.000 1.126 158 F CB 0.320 39.387 39.000 0.112 0.000 1.145 158 F HN -0.084 nan 8.300 nan 0.000 0.541 159 L N 2.101 123.363 121.223 0.065 0.000 2.499 159 L HA 0.545 4.891 4.340 0.009 0.000 0.273 159 L C -0.067 176.762 176.870 -0.068 0.000 1.195 159 L CA 0.009 54.795 54.840 -0.090 0.000 0.882 159 L CB 0.455 42.171 42.059 -0.572 0.000 1.133 159 L HN 0.118 nan 8.230 nan 0.000 0.483 160 A N 6.229 129.050 122.820 0.002 0.000 2.449 160 A HA 0.686 5.012 4.320 0.009 0.000 0.302 160 A C -1.177 176.382 177.584 -0.041 0.000 1.048 160 A CA -0.598 51.426 52.037 -0.022 0.000 0.708 160 A CB 1.369 20.388 19.000 0.032 0.000 1.274 160 A HN 0.708 nan 8.150 nan 0.000 0.410 161 L N 3.161 124.348 121.223 -0.061 0.000 2.356 161 L HA 0.335 4.680 4.340 0.009 0.000 0.264 161 L C -2.473 174.384 176.870 -0.021 0.000 1.029 161 L CA -1.792 53.022 54.840 -0.044 0.000 0.897 161 L CB 1.573 43.594 42.059 -0.063 0.000 1.256 161 L HN 0.407 nan 8.230 nan 0.000 0.444 162 P HA 0.082 nan 4.420 nan 0.000 0.265 162 P C 0.970 178.271 177.300 0.001 0.000 1.193 162 P CA 0.706 63.807 63.100 0.001 0.000 0.765 162 P CB 0.953 32.654 31.700 0.003 0.000 0.823 163 G N 1.579 110.383 108.800 0.007 0.000 2.241 163 G HA2 -0.246 3.719 3.960 0.009 0.000 0.244 163 G HA3 -0.246 3.719 3.960 0.009 0.000 0.244 163 G C 0.392 175.296 174.900 0.006 0.000 0.998 163 G CA 0.293 45.398 45.100 0.007 0.000 0.621 163 G HN 0.817 nan 8.290 nan 0.000 0.519 164 S N -0.197 115.505 115.700 0.003 0.000 2.603 164 S HA 0.608 5.083 4.470 0.009 0.000 0.268 164 S C 1.209 175.816 174.600 0.013 0.000 1.317 164 S CA 0.431 58.633 58.200 0.003 0.000 1.012 164 S CB 2.048 65.242 63.200 -0.009 0.000 0.926 164 S HN 0.499 nan 8.310 nan 0.000 0.539 165 R N 0.500 121.009 120.500 0.016 0.000 2.093 165 R HA -0.016 4.330 4.340 0.009 0.000 0.224 165 R C 1.126 177.446 176.300 0.033 0.000 1.101 165 R CA 1.413 57.527 56.100 0.024 0.000 0.979 165 R CB -0.180 30.134 30.300 0.023 0.000 0.877 165 R HN 0.832 nan 8.270 nan 0.000 0.441 166 E N -0.855 119.364 120.200 0.032 0.000 2.400 166 E HA 0.134 4.490 4.350 0.009 0.000 0.195 166 E C -0.203 176.440 176.600 0.073 0.000 1.012 166 E CA 0.589 57.021 56.400 0.054 0.000 0.875 166 E CB 1.192 30.923 29.700 0.052 0.000 0.859 166 E HN 0.262 nan 8.360 nan 0.000 0.498 167 A N 1.203 124.039 122.820 0.025 0.000 3.409 167 A HA 0.272 4.598 4.320 0.009 0.000 0.282 167 A C -2.176 175.405 177.584 -0.005 0.000 1.064 167 A CA -0.900 51.137 52.037 -0.000 0.000 0.889 167 A CB 0.475 19.382 19.000 -0.155 0.000 1.251 167 A HN -0.080 nan 8.150 nan 0.000 0.538 168 P HA 0.155 nan 4.420 nan 0.000 0.229 168 P C 0.889 178.204 177.300 0.024 0.000 1.160 168 P CA 1.712 64.828 63.100 0.025 0.000 0.777 168 P CB 0.220 31.944 31.700 0.040 0.000 0.814 169 G N 0.715 109.526 108.800 0.019 0.000 2.699 169 G HA2 -0.159 3.807 3.960 0.009 0.000 0.686 169 G HA3 -0.159 3.807 3.960 0.009 0.000 0.686 169 G C -0.181 174.716 174.900 -0.004 0.000 1.301 169 G CA -0.322 44.791 45.100 0.022 0.000 0.816 169 G HN 0.122 nan 8.290 nan 0.000 0.595 170 N N -2.293 116.400 118.700 -0.012 0.000 2.741 170 N HA -0.267 4.478 4.740 0.009 0.000 0.251 170 N C 1.805 177.177 175.510 -0.230 0.000 1.112 170 N CA 2.313 55.296 53.050 -0.112 0.000 0.750 170 N CB -1.630 36.739 38.487 -0.196 0.000 1.119 170 N HN 1.894 nan 8.380 nan 0.000 0.561 171 V N -3.026 116.743 119.914 -0.242 0.000 2.667 171 V HA 0.078 4.203 4.120 0.009 0.000 0.252 171 V C 2.298 178.265 176.094 -0.211 0.000 1.065 171 V CA 2.127 64.332 62.300 -0.159 0.000 1.083 171 V CB -0.736 31.043 31.823 -0.073 0.000 0.692 171 V HN 0.253 nan 8.190 nan 0.000 0.468 172 G N 0.507 108.997 108.800 -0.517 0.000 2.432 172 G HA2 -0.136 3.829 3.960 0.009 0.000 0.219 172 G HA3 -0.136 3.829 3.960 0.009 0.000 0.219 172 G C 1.548 176.413 174.900 -0.059 0.000 1.135 172 G CA 1.140 46.059 45.100 -0.301 0.000 0.767 172 G HN 0.531 nan 8.290 nan 0.000 0.550 173 L N -0.197 120.934 121.223 -0.154 0.000 2.156 173 L HA 0.094 4.440 4.340 0.009 0.000 0.208 173 L C 2.803 179.666 176.870 -0.011 0.000 1.095 173 L CA 0.332 55.040 54.840 -0.220 0.000 0.770 173 L CB -0.241 41.357 42.059 -0.768 0.000 0.914 173 L HN 0.186 nan 8.230 nan 0.000 0.439 174 L N -0.645 120.584 121.223 0.010 0.000 2.093 174 L HA -0.188 4.158 4.340 0.009 0.000 0.208 174 L C 2.181 179.164 176.870 0.188 0.000 1.085 174 L CA 0.806 55.754 54.840 0.181 0.000 0.755 174 L CB -0.605 41.543 42.059 0.148 0.000 0.904 174 L HN 0.273 nan 8.230 nan 0.000 0.435 175 D N 0.096 120.596 120.400 0.167 0.000 2.104 175 D HA -0.226 4.419 4.640 0.009 0.000 0.194 175 D C 2.249 178.686 176.300 0.230 0.000 0.994 175 D CA 1.279 55.459 54.000 0.301 0.000 0.830 175 D CB -0.216 40.780 40.800 0.326 0.000 0.959 175 D HN 0.398 nan 8.370 nan 0.000 0.452 176 Q N 0.040 119.910 119.800 0.116 0.000 2.084 176 Q HA -0.141 4.205 4.340 0.009 0.000 0.202 176 Q C 2.307 178.285 176.000 -0.037 0.000 0.978 176 Q CA 1.103 56.896 55.803 -0.017 0.000 0.844 176 Q CB -0.073 28.662 28.738 -0.004 0.000 0.898 176 Q HN 0.207 nan 8.270 nan 0.000 0.426 177 R N 0.529 121.112 120.500 0.138 0.000 2.096 177 R HA -0.168 4.178 4.340 0.009 0.000 0.235 177 R C 2.184 178.533 176.300 0.082 0.000 1.127 177 R CA 0.991 57.167 56.100 0.128 0.000 0.968 177 R CB -0.207 30.281 30.300 0.313 0.000 0.861 177 R HN 0.221 nan 8.270 nan 0.000 0.440 178 L N 0.774 122.073 121.223 0.126 0.000 2.083 178 L HA -0.032 4.313 4.340 0.009 0.000 0.209 178 L C 2.250 179.158 176.870 0.063 0.000 1.083 178 L CA 2.048 56.990 54.840 0.169 0.000 0.752 178 L CB -0.610 41.640 42.059 0.318 0.000 0.899 178 L HN 0.258 nan 8.230 nan 0.000 0.433 179 A N -0.555 122.097 122.820 -0.280 0.000 1.933 179 A HA -0.152 4.174 4.320 0.009 0.000 0.218 179 A C 2.216 179.756 177.584 -0.075 0.000 1.175 179 A CA 1.857 53.597 52.037 -0.495 0.000 0.628 179 A CB -0.811 17.658 19.000 -0.885 0.000 0.814 179 A HN 0.503 nan 8.150 nan 0.000 0.444 180 L N -1.038 120.148 121.223 -0.061 0.000 2.083 180 L HA -0.248 4.097 4.340 0.009 0.000 0.209 180 L C 2.831 179.757 176.870 0.094 0.000 1.083 180 L CA 1.570 56.416 54.840 0.011 0.000 0.752 180 L CB -0.799 41.226 42.059 -0.057 0.000 0.899 180 L HN 0.490 nan 8.230 nan 0.000 0.433 181 Q N -0.915 118.949 119.800 0.106 0.000 2.084 181 Q HA -0.259 4.086 4.340 0.009 0.000 0.202 181 Q C 2.042 178.139 176.000 0.162 0.000 0.978 181 Q CA 2.020 57.896 55.803 0.121 0.000 0.844 181 Q CB -0.305 28.508 28.738 0.125 0.000 0.898 181 Q HN 0.532 nan 8.270 nan 0.000 0.426 182 W N 0.646 121.968 121.300 0.036 0.000 2.335 182 W HA -0.259 4.406 4.660 0.009 0.000 0.311 182 W C 1.898 178.456 176.519 0.066 0.000 1.213 182 W CA 1.522 58.907 57.345 0.067 0.000 1.274 182 W CB -0.198 29.307 29.460 0.075 0.000 1.148 182 W HN -0.137 nan 8.180 nan 0.000 0.498 183 V N 0.857 121.007 119.914 0.393 0.000 2.287 183 V HA -0.366 3.759 4.120 0.009 0.000 0.248 183 V C 2.567 178.689 176.094 0.048 0.000 1.053 183 V CA 2.140 64.585 62.300 0.242 0.000 1.027 183 V CB -1.100 30.879 31.823 0.260 0.000 0.646 183 V HN 0.223 nan 8.190 nan 0.000 0.447 184 Q N -0.221 119.614 119.800 0.058 0.000 2.096 184 Q HA -0.273 4.073 4.340 0.009 0.000 0.204 184 Q C 2.266 178.241 176.000 -0.041 0.000 0.982 184 Q CA 2.258 58.078 55.803 0.028 0.000 0.850 184 Q CB -0.295 28.468 28.738 0.041 0.000 0.901 184 Q HN 0.823 nan 8.270 nan 0.000 0.422 185 E N -0.389 119.747 120.200 -0.105 0.000 2.158 185 E HA -0.071 4.284 4.350 0.009 0.000 0.191 185 E C 1.190 177.636 176.600 -0.256 0.000 0.982 185 E CA 0.680 56.983 56.400 -0.161 0.000 0.823 185 E CB 0.309 29.912 29.700 -0.163 0.000 0.766 185 E HN 0.260 nan 8.360 nan 0.000 0.468 186 N N -0.080 118.360 118.700 -0.434 0.000 2.273 186 N HA -0.001 4.745 4.740 0.009 0.000 0.192 186 N C 1.406 176.780 175.510 -0.227 0.000 1.132 186 N CA 0.076 52.807 53.050 -0.533 0.000 0.887 186 N CB 0.370 38.095 38.487 -1.270 0.000 1.048 186 N HN 0.146 nan 8.380 nan 0.000 0.490 187 I N 2.127 122.636 120.570 -0.101 0.000 2.614 187 I HA -0.043 4.133 4.170 0.009 0.000 0.258 187 I C 2.047 178.274 176.117 0.183 0.000 1.189 187 I CA 0.427 61.822 61.300 0.157 0.000 1.462 187 I CB -0.219 37.863 38.000 0.137 0.000 1.092 187 I HN 0.028 nan 8.210 nan 0.000 0.442 188 A N 0.255 123.105 122.820 0.049 0.000 2.019 188 A HA -0.076 4.250 4.320 0.009 0.000 0.219 188 A C 2.454 180.023 177.584 -0.025 0.000 1.164 188 A CA 1.399 53.447 52.037 0.018 0.000 0.644 188 A CB -0.988 17.998 19.000 -0.022 0.000 0.805 188 A HN 0.452 nan 8.150 nan 0.000 0.449 189 A N -1.500 121.257 122.820 -0.104 0.000 2.125 189 A HA 0.078 4.403 4.320 0.009 0.000 0.219 189 A C 1.475 178.798 177.584 -0.436 0.000 1.156 189 A CA 1.188 53.036 52.037 -0.314 0.000 0.671 189 A CB -0.610 18.091 19.000 -0.499 0.000 0.794 189 A HN 0.514 nan 8.150 nan 0.000 0.459 190 F N -1.751 118.151 119.950 -0.081 0.000 2.678 190 F HA 0.399 4.932 4.527 0.009 0.000 0.305 190 F C 1.743 177.552 175.800 0.015 0.000 1.090 190 F CA 0.480 58.450 58.000 -0.050 0.000 1.272 190 F CB 0.437 39.419 39.000 -0.030 0.000 1.060 190 F HN 0.308 nan 8.300 nan 0.000 0.576 191 G N 0.305 109.190 108.800 0.142 0.000 2.175 191 G HA2 -0.182 3.784 3.960 0.009 0.000 0.244 191 G HA3 -0.182 3.784 3.960 0.009 0.000 0.244 191 G C 0.661 175.629 174.900 0.113 0.000 0.982 191 G CA -0.292 44.870 45.100 0.103 0.000 0.641 191 G HN 0.708 nan 8.290 nan 0.000 0.527 192 G N -0.435 108.454 108.800 0.148 0.000 2.503 192 G HA2 0.461 4.426 3.960 0.009 0.000 0.257 192 G HA3 0.461 4.426 3.960 0.009 0.000 0.257 192 G C -0.681 174.268 174.900 0.080 0.000 1.214 192 G CA 0.326 45.500 45.100 0.123 0.000 0.839 192 G HN 0.212 nan 8.290 nan 0.000 0.559 193 D N 1.429 121.865 120.400 0.061 0.000 2.428 193 D HA 0.269 4.914 4.640 0.009 0.000 0.221 193 D C -1.067 175.258 176.300 0.041 0.000 1.123 193 D CA -2.345 51.672 54.000 0.029 0.000 0.869 193 D CB 1.857 42.656 40.800 -0.002 0.000 1.032 193 D HN 0.054 nan 8.370 nan 0.000 0.506 194 P HA -0.101 nan 4.420 nan 0.000 0.225 194 P C 1.195 178.563 177.300 0.114 0.000 1.148 194 P CA 0.690 63.842 63.100 0.086 0.000 0.779 194 P CB 0.222 31.958 31.700 0.059 0.000 0.780 195 M N -1.088 118.511 119.600 -0.002 0.000 2.563 195 M HA 0.077 4.563 4.480 0.009 0.000 0.231 195 M C 0.587 176.543 176.300 -0.574 0.000 1.136 195 M CA 0.418 55.621 55.300 -0.161 0.000 1.026 195 M CB 0.122 32.652 32.600 -0.116 0.000 1.597 195 M HN -0.174 nan 8.290 nan 0.000 0.495 196 S N 0.805 116.334 115.700 -0.285 0.000 2.383 196 S HA 0.447 4.922 4.470 0.009 0.000 0.196 196 S C -1.096 173.527 174.600 0.038 0.000 1.364 196 S CA -0.561 57.495 58.200 -0.240 0.000 1.212 196 S CB 0.531 63.638 63.200 -0.154 0.000 1.171 196 S HN -0.014 nan 8.310 nan 0.000 0.456 197 V N 4.005 124.084 119.914 0.275 0.000 2.444 197 V HA 0.573 4.699 4.120 0.009 0.000 0.294 197 V C -0.065 176.221 176.094 0.320 0.000 1.022 197 V CA -0.467 62.014 62.300 0.302 0.000 0.850 197 V CB 1.997 34.024 31.823 0.339 0.000 0.992 197 V HN 0.743 nan 8.190 nan 0.000 0.426 198 T N 6.429 121.121 114.554 0.231 0.000 2.786 198 T HA 0.585 4.940 4.350 0.009 0.000 0.283 198 T C -0.254 174.597 174.700 0.251 0.000 0.992 198 T CA -0.345 61.896 62.100 0.235 0.000 0.954 198 T CB 0.882 69.840 68.868 0.149 0.000 0.934 198 T HN 0.346 nan 8.240 nan 0.000 0.440 199 L N 4.899 126.238 121.223 0.193 0.000 2.349 199 L HA 0.650 4.996 4.340 0.009 0.000 0.275 199 L C -0.376 176.695 176.870 0.335 0.000 1.115 199 L CA -0.748 54.171 54.840 0.133 0.000 0.820 199 L CB 0.280 42.208 42.059 -0.219 0.000 1.135 199 L HN 0.628 nan 8.230 nan 0.000 0.445 200 F N 0.572 120.588 119.950 0.111 0.000 2.601 200 F HA 0.953 5.486 4.527 0.009 0.000 0.309 200 F C -0.313 175.480 175.800 -0.011 0.000 1.089 200 F CA -1.388 56.723 58.000 0.185 0.000 0.940 200 F CB 1.656 40.902 39.000 0.411 0.000 1.273 200 F HN 0.451 nan 8.300 nan 0.000 0.450 201 G N 1.339 110.019 108.800 -0.200 0.000 2.673 201 G HA2 0.479 4.444 3.960 0.009 0.000 0.292 201 G HA3 0.479 4.444 3.960 0.009 0.000 0.292 201 G C -2.539 172.152 174.900 -0.348 0.000 1.450 201 G CA -0.808 43.784 45.100 -0.846 0.000 0.837 201 G HN 0.873 nan 8.290 nan 0.000 0.505 202 E N 0.262 120.210 120.200 -0.420 0.000 2.212 202 E HA 0.638 4.994 4.350 0.009 0.000 0.268 202 E C 0.792 177.321 176.600 -0.118 0.000 0.902 202 E CA 0.593 56.965 56.400 -0.048 0.000 0.779 202 E CB 1.987 31.793 29.700 0.177 0.000 1.172 202 E HN 1.784 nan 8.360 nan 0.000 0.409 203 A N 3.387 126.208 122.820 0.002 0.000 5.295 203 A HA -0.377 3.949 4.320 0.009 0.000 0.313 203 A C 1.594 179.243 177.584 0.110 0.000 1.912 203 A CA 1.981 54.079 52.037 0.101 0.000 0.714 203 A CB -2.171 16.794 19.000 -0.059 0.000 1.319 203 A HN 1.229 nan 8.150 nan 0.000 0.375 204 A N -1.162 121.597 122.820 -0.103 0.000 2.024 204 A HA 0.215 4.540 4.320 0.009 0.000 0.220 204 A C 2.798 180.091 177.584 -0.484 0.000 1.164 204 A CA 2.488 54.267 52.037 -0.430 0.000 0.643 204 A CB -1.475 16.869 19.000 -1.093 0.000 0.806 204 A HN 2.399 nan 8.150 nan 0.000 0.451 205 G N -0.617 107.960 108.800 -0.372 0.000 2.408 205 G HA2 0.043 4.008 3.960 0.009 0.000 0.217 205 G HA3 0.043 4.008 3.960 0.009 0.000 0.217 205 G C 1.719 176.433 174.900 -0.310 0.000 1.150 205 G CA 1.259 46.099 45.100 -0.434 0.000 0.776 205 G HN 0.757 nan 8.290 nan 0.000 0.542 206 A N 1.298 124.009 122.820 -0.182 0.000 1.902 206 A HA 0.271 4.596 4.320 0.009 0.000 0.217 206 A C 2.837 180.401 177.584 -0.034 0.000 1.181 206 A CA 2.226 54.226 52.037 -0.062 0.000 0.623 206 A CB -0.877 18.145 19.000 0.037 0.000 0.818 206 A HN 0.778 nan 8.150 nan 0.000 0.443 207 A N -0.341 122.478 122.820 -0.000 0.000 1.892 207 A HA -0.142 4.184 4.320 0.009 0.000 0.218 207 A C 2.464 180.056 177.584 0.014 0.000 1.188 207 A CA 2.316 54.354 52.037 0.002 0.000 0.631 207 A CB -1.036 18.002 19.000 0.063 0.000 0.822 207 A HN 0.471 nan 8.150 nan 0.000 0.447 208 S N -0.501 115.201 115.700 0.004 0.000 2.359 208 S HA -0.156 4.320 4.470 0.009 0.000 0.224 208 S C 1.915 176.481 174.600 -0.056 0.000 1.035 208 S CA 1.454 59.622 58.200 -0.053 0.000 1.018 208 S CB -0.648 62.457 63.200 -0.159 0.000 0.876 208 S HN 0.355 nan 8.310 nan 0.000 0.448 209 V N 1.784 121.673 119.914 -0.041 0.000 2.282 209 V HA -0.234 3.891 4.120 0.009 0.000 0.249 209 V C 2.646 178.742 176.094 0.004 0.000 1.057 209 V CA 2.102 64.388 62.300 -0.024 0.000 1.032 209 V CB -1.586 30.198 31.823 -0.065 0.000 0.645 209 V HN 0.611 nan 8.190 nan 0.000 0.447 210 G N -0.967 107.827 108.800 -0.009 0.000 2.442 210 G HA2 -0.287 3.679 3.960 0.009 0.000 0.219 210 G HA3 -0.287 3.679 3.960 0.009 0.000 0.219 210 G C 1.600 176.517 174.900 0.027 0.000 1.141 210 G CA 1.198 46.298 45.100 -0.001 0.000 0.763 210 G HN 0.471 nan 8.290 nan 0.000 0.554 211 M N -0.183 119.414 119.600 -0.004 0.000 2.229 211 M HA 0.019 4.505 4.480 0.009 0.000 0.264 211 M C 2.295 178.649 176.300 0.089 0.000 1.063 211 M CA 0.812 56.136 55.300 0.040 0.000 1.114 211 M CB -0.279 32.319 32.600 -0.002 0.000 1.387 211 M HN 0.203 nan 8.290 nan 0.000 0.420 212 H N 0.159 119.338 119.070 0.181 0.000 2.389 212 H HA -0.027 4.534 4.556 0.009 0.000 0.299 212 H C 2.125 177.622 175.328 0.282 0.000 1.081 212 H CA 1.454 57.607 56.048 0.175 0.000 1.345 212 H CB -0.358 29.391 29.762 -0.021 0.000 1.393 212 H HN 0.420 nan 8.280 nan 0.000 0.520 213 I N 0.663 121.464 120.570 0.384 0.000 2.286 213 I HA -0.235 3.940 4.170 0.009 0.000 0.248 213 I C 1.899 178.186 176.117 0.284 0.000 1.115 213 I CA 1.050 62.595 61.300 0.408 0.000 1.392 213 I CB -0.101 38.062 38.000 0.272 0.000 1.065 213 I HN 0.113 nan 8.210 nan 0.000 0.418 214 L N -0.863 120.479 121.223 0.198 0.000 2.592 214 L HA 0.109 4.455 4.340 0.009 0.000 0.227 214 L C 0.897 177.805 176.870 0.063 0.000 1.127 214 L CA 0.042 54.976 54.840 0.157 0.000 0.884 214 L CB 0.068 42.202 42.059 0.125 0.000 1.065 214 L HN 0.020 nan 8.230 nan 0.000 0.457 215 S N -0.412 115.293 115.700 0.008 0.000 2.530 215 S HA 0.293 4.768 4.470 0.009 0.000 0.322 215 S C 0.693 175.213 174.600 -0.133 0.000 1.085 215 S CA -0.608 57.479 58.200 -0.189 0.000 1.096 215 S CB 1.532 64.342 63.200 -0.651 0.000 0.988 215 S HN 0.140 nan 8.310 nan 0.000 0.466 216 L N 6.688 127.837 121.223 -0.122 0.000 1.990 216 L HA 0.026 4.371 4.340 0.009 0.000 0.213 216 L C -0.914 175.910 176.870 -0.076 0.000 1.072 216 L CA 2.041 56.833 54.840 -0.081 0.000 0.755 216 L CB -0.756 41.257 42.059 -0.077 0.000 0.889 216 L HN 0.526 nan 8.230 nan 0.000 0.432 217 P HA -0.078 nan 4.420 nan 0.000 0.225 217 P C 1.443 178.737 177.300 -0.009 0.000 1.148 217 P CA 1.144 64.208 63.100 -0.060 0.000 0.779 217 P CB 0.057 31.714 31.700 -0.072 0.000 0.780 218 S N -0.916 114.798 115.700 0.023 0.000 2.470 218 S HA 0.017 4.492 4.470 0.009 0.000 0.225 218 S C 1.816 176.543 174.600 0.212 0.000 1.006 218 S CA 0.458 58.770 58.200 0.186 0.000 0.934 218 S CB -0.327 63.112 63.200 0.398 0.000 0.778 218 S HN 0.069 nan 8.310 nan 0.000 0.517 219 R N 1.937 122.463 120.500 0.044 0.000 2.189 219 R HA 0.056 4.401 4.340 0.009 0.000 0.223 219 R C 2.183 178.289 176.300 -0.323 0.000 1.092 219 R CA 1.097 57.075 56.100 -0.203 0.000 0.989 219 R CB -0.995 29.212 30.300 -0.156 0.000 0.876 219 R HN 0.548 nan 8.270 nan 0.000 0.457 220 S N -0.108 115.494 115.700 -0.163 0.000 2.561 220 S HA 0.060 4.535 4.470 0.009 0.000 0.225 220 S C 1.692 176.203 174.600 -0.148 0.000 0.977 220 S CA 0.324 58.429 58.200 -0.158 0.000 0.926 220 S CB -0.112 63.042 63.200 -0.076 0.000 0.769 220 S HN 0.207 nan 8.310 nan 0.000 0.533 221 L N 0.520 121.700 121.223 -0.071 0.000 2.640 221 L HA 0.484 4.829 4.340 0.009 0.000 0.230 221 L C -0.006 176.940 176.870 0.125 0.000 1.123 221 L CA -0.351 54.516 54.840 0.046 0.000 0.900 221 L CB -0.098 42.028 42.059 0.112 0.000 1.146 221 L HN 0.489 nan 8.230 nan 0.000 0.484 222 F N -4.333 115.451 119.950 -0.275 0.000 2.773 222 F HA 0.429 4.961 4.527 0.008 0.000 0.314 222 F C 0.251 175.747 175.800 -0.507 0.000 1.160 222 F CA -1.033 56.802 58.000 -0.276 0.000 0.920 222 F CB 0.778 39.741 39.000 -0.061 0.000 1.323 222 F HN -0.164 nan 8.300 nan 0.000 0.457 223 H N -0.614 118.504 119.070 0.080 0.000 3.091 223 H HA 0.457 5.018 4.556 0.009 0.000 0.249 223 H C -0.102 175.246 175.328 0.032 0.000 0.985 223 H CA -0.031 55.982 56.048 -0.058 0.000 1.177 223 H CB 1.085 30.827 29.762 -0.033 0.000 1.456 223 H HN 0.417 nan 8.280 nan 0.000 0.467 224 R N 0.135 120.833 120.500 0.331 0.000 2.764 224 R HA 0.712 5.058 4.340 0.009 0.000 0.270 224 R C -1.486 175.084 176.300 0.450 0.000 1.014 224 R CA -0.657 55.609 56.100 0.276 0.000 0.904 224 R CB 2.919 33.191 30.300 -0.047 0.000 1.236 224 R HN 0.145 nan 8.270 nan 0.000 0.466 225 A N 0.992 124.091 122.820 0.465 0.000 2.520 225 A HA 0.669 4.995 4.320 0.009 0.000 0.298 225 A C -1.498 176.244 177.584 0.263 0.000 1.051 225 A CA -0.600 51.637 52.037 0.334 0.000 0.690 225 A CB 1.900 21.056 19.000 0.260 0.000 1.281 225 A HN 0.296 nan 8.150 nan 0.000 0.402 226 V N 2.101 122.126 119.914 0.186 0.000 2.444 226 V HA 0.495 4.621 4.120 0.009 0.000 0.294 226 V C -1.111 175.076 176.094 0.155 0.000 1.022 226 V CA -0.313 62.036 62.300 0.082 0.000 0.850 226 V CB 1.192 33.075 31.823 0.100 0.000 0.992 226 V HN 0.675 nan 8.190 nan 0.000 0.426 227 L N 5.239 126.524 121.223 0.104 0.000 2.295 227 L HA 0.517 4.862 4.340 0.009 0.000 0.281 227 L C 0.072 177.047 176.870 0.176 0.000 1.018 227 L CA 0.060 54.962 54.840 0.104 0.000 0.841 227 L CB 1.385 43.462 42.059 0.030 0.000 1.218 227 L HN 0.628 nan 8.230 nan 0.000 0.424 228 Q N 1.997 121.951 119.800 0.257 0.000 2.340 228 Q HA 0.430 4.776 4.340 0.009 0.000 0.259 228 Q C 0.216 176.351 176.000 0.225 0.000 0.964 228 Q CA -0.501 55.512 55.803 0.350 0.000 0.900 228 Q CB 1.253 30.285 28.738 0.490 0.000 1.228 228 Q HN 0.619 nan 8.270 nan 0.000 0.449 229 S N 1.068 116.888 115.700 0.200 0.000 3.614 229 S HA -0.161 4.315 4.470 0.009 0.000 0.360 229 S C 0.011 174.795 174.600 0.307 0.000 1.023 229 S CA 0.560 58.903 58.200 0.238 0.000 1.114 229 S CB -1.162 62.191 63.200 0.255 0.000 0.907 229 S HN 0.996 nan 8.310 nan 0.000 0.470 230 G N -0.410 108.530 108.800 0.232 0.000 2.556 230 G HA2 0.619 4.585 3.960 0.009 0.000 0.294 230 G HA3 0.619 4.585 3.960 0.009 0.000 0.294 230 G C -0.923 174.046 174.900 0.115 0.000 1.516 230 G CA 0.195 45.477 45.100 0.304 0.000 0.824 230 G HN 0.927 nan 8.290 nan 0.000 0.535 231 T N -1.087 113.479 114.554 0.021 0.000 2.868 231 T HA 0.761 5.116 4.350 0.009 0.000 0.306 231 T C -2.304 172.260 174.700 -0.227 0.000 1.224 231 T CA -1.345 60.691 62.100 -0.106 0.000 1.012 231 T CB 3.093 71.883 68.868 -0.130 0.000 1.221 231 T HN 0.289 nan 8.240 nan 0.000 0.499 232 P HA -0.005 nan 4.420 nan 0.000 0.218 232 P C 0.265 177.416 177.300 -0.248 0.000 1.152 232 P CA 0.627 63.613 63.100 -0.191 0.000 0.826 232 P CB -0.084 31.556 31.700 -0.101 0.000 0.790 233 N N 0.780 119.350 118.700 -0.216 0.000 2.381 233 N HA 0.296 5.041 4.740 0.009 0.000 0.254 233 N C 0.765 176.080 175.510 -0.325 0.000 1.264 233 N CA 0.681 53.600 53.050 -0.218 0.000 0.942 233 N CB 0.306 38.705 38.487 -0.147 0.000 1.190 233 N HN 0.230 nan 8.380 nan 0.000 0.495 234 G N -0.521 108.101 108.800 -0.297 0.000 2.462 234 G HA2 -0.110 3.855 3.960 0.009 0.000 0.685 234 G HA3 -0.110 3.855 3.960 0.009 0.000 0.685 234 G C -2.258 172.408 174.900 -0.391 0.000 1.295 234 G CA -0.229 44.652 45.100 -0.366 0.000 0.941 234 G HN 0.536 nan 8.290 nan 0.000 0.554 235 P HA 0.123 nan 4.420 nan 0.000 0.236 235 P C 1.330 178.559 177.300 -0.118 0.000 1.177 235 P CA 1.908 64.869 63.100 -0.232 0.000 0.773 235 P CB -0.029 31.495 31.700 -0.295 0.000 0.878 236 W N -1.778 119.431 121.300 -0.152 0.000 2.773 236 W HA 0.576 5.241 4.660 0.008 0.000 0.297 236 W C 1.000 177.591 176.519 0.119 0.000 1.050 236 W CA 0.428 57.759 57.345 -0.023 0.000 1.467 236 W CB -0.678 28.796 29.460 0.024 0.000 0.977 236 W HN -0.171 nan 8.180 nan 0.000 0.573 237 A N 1.937 124.431 122.820 -0.543 0.000 2.072 237 A HA 0.146 4.471 4.320 0.009 0.000 0.216 237 A C 1.155 178.599 177.584 -0.232 0.000 1.156 237 A CA 1.800 53.584 52.037 -0.422 0.000 0.701 237 A CB -0.733 17.767 19.000 -0.835 0.000 0.816 237 A HN 0.220 nan 8.150 nan 0.000 0.458 238 T N -3.038 111.387 114.554 -0.216 0.000 2.883 238 T HA 0.623 4.978 4.350 0.009 0.000 0.296 238 T C -0.624 174.004 174.700 -0.121 0.000 1.117 238 T CA -0.112 61.876 62.100 -0.187 0.000 1.006 238 T CB 1.443 70.210 68.868 -0.169 0.000 1.191 238 T HN 0.890 nan 8.240 nan 0.000 0.508 239 V N -1.008 118.844 119.914 -0.104 0.000 3.001 239 V HA 0.905 5.031 4.120 0.009 0.000 0.314 239 V C 0.317 176.376 176.094 -0.060 0.000 1.099 239 V CA -0.819 61.436 62.300 -0.074 0.000 0.989 239 V CB 1.334 33.114 31.823 -0.071 0.000 1.040 239 V HN 1.373 nan 8.190 nan 0.000 0.434 240 S N 1.844 117.515 115.700 -0.048 0.000 2.608 240 S HA 0.577 5.052 4.470 0.009 0.000 0.261 240 S C 1.428 176.011 174.600 -0.028 0.000 1.314 240 S CA 0.105 58.284 58.200 -0.035 0.000 0.992 240 S CB 1.139 64.320 63.200 -0.031 0.000 0.935 240 S HN 1.942 nan 8.310 nan 0.000 0.564 241 A N 1.784 124.592 122.820 -0.019 0.000 1.883 241 A HA 0.091 4.416 4.320 0.009 0.000 0.217 241 A C 2.240 179.815 177.584 -0.014 0.000 1.186 241 A CA 1.834 53.864 52.037 -0.012 0.000 0.624 241 A CB -1.895 17.101 19.000 -0.007 0.000 0.822 241 A HN 1.172 nan 8.150 nan 0.000 0.444 242 G N -0.635 108.155 108.800 -0.017 0.000 2.418 242 G HA2 -0.238 3.727 3.960 0.009 0.000 0.217 242 G HA3 -0.238 3.727 3.960 0.009 0.000 0.217 242 G C 1.480 176.367 174.900 -0.022 0.000 1.158 242 G CA 1.404 46.493 45.100 -0.018 0.000 0.771 242 G HN 0.562 nan 8.290 nan 0.000 0.545 243 E N 1.010 121.192 120.200 -0.029 0.000 2.072 243 E HA 0.087 4.443 4.350 0.009 0.000 0.191 243 E C 2.690 179.262 176.600 -0.047 0.000 0.985 243 E CA 1.340 57.715 56.400 -0.041 0.000 0.801 243 E CB -0.589 29.082 29.700 -0.049 0.000 0.750 243 E HN 0.262 nan 8.360 nan 0.000 0.452 244 A N 0.947 123.747 122.820 -0.034 0.000 1.902 244 A HA -0.210 4.115 4.320 0.009 0.000 0.217 244 A C 2.310 179.898 177.584 0.008 0.000 1.181 244 A CA 1.892 53.922 52.037 -0.012 0.000 0.623 244 A CB -0.650 18.357 19.000 0.011 0.000 0.818 244 A HN 0.279 nan 8.150 nan 0.000 0.443 245 R N -0.588 119.910 120.500 -0.004 0.000 2.081 245 R HA -0.132 4.213 4.340 0.009 0.000 0.235 245 R C 2.440 178.737 176.300 -0.005 0.000 1.131 245 R CA 1.604 57.701 56.100 -0.005 0.000 0.960 245 R CB -0.303 29.990 30.300 -0.011 0.000 0.856 245 R HN 0.542 nan 8.270 nan 0.000 0.436 246 R N 0.336 120.828 120.500 -0.013 0.000 2.073 246 R HA -0.123 4.223 4.340 0.009 0.000 0.234 246 R C 2.278 178.571 176.300 -0.011 0.000 1.134 246 R CA 1.764 57.855 56.100 -0.015 0.000 0.952 246 R CB -0.080 30.206 30.300 -0.023 0.000 0.850 246 R HN 0.254 nan 8.270 nan 0.000 0.433 247 R N -0.211 120.270 120.500 -0.031 0.000 2.073 247 R HA -0.075 4.271 4.340 0.009 0.000 0.234 247 R C 2.369 178.732 176.300 0.105 0.000 1.134 247 R CA 1.367 57.437 56.100 -0.049 0.000 0.952 247 R CB -0.375 29.772 30.300 -0.256 0.000 0.850 247 R HN 0.251 nan 8.270 nan 0.000 0.433 248 A N 0.533 123.441 122.820 0.147 0.000 1.902 248 A HA -0.162 4.163 4.320 0.009 0.000 0.217 248 A C 2.178 179.781 177.584 0.032 0.000 1.181 248 A CA 2.011 54.124 52.037 0.126 0.000 0.623 248 A CB -0.810 18.203 19.000 0.022 0.000 0.818 248 A HN 0.291 nan 8.150 nan 0.000 0.443 249 T N -0.053 114.509 114.554 0.014 0.000 2.777 249 T HA -0.095 4.261 4.350 0.009 0.000 0.266 249 T C 1.836 176.541 174.700 0.008 0.000 1.040 249 T CA 1.383 63.480 62.100 -0.004 0.000 1.141 249 T CB -0.341 68.522 68.868 -0.008 0.000 0.868 249 T HN 0.299 nan 8.240 nan 0.000 0.444 250 L N 1.253 122.491 121.223 0.025 0.000 2.017 250 L HA 0.060 4.405 4.340 0.009 0.000 0.208 250 L C 2.204 179.104 176.870 0.050 0.000 1.073 250 L CA 1.479 56.339 54.840 0.034 0.000 0.745 250 L CB -0.998 41.084 42.059 0.039 0.000 0.894 250 L HN 0.187 nan 8.230 nan 0.000 0.432 251 L N -0.088 121.189 121.223 0.090 0.000 2.012 251 L HA -0.166 4.180 4.340 0.009 0.000 0.210 251 L C 2.537 179.408 176.870 0.002 0.000 1.073 251 L CA 2.183 57.080 54.840 0.095 0.000 0.748 251 L CB -1.001 41.163 42.059 0.176 0.000 0.891 251 L HN 0.310 nan 8.230 nan 0.000 0.431 252 A N -0.358 122.451 122.820 -0.018 0.000 1.873 252 A HA -0.292 4.033 4.320 0.009 0.000 0.218 252 A C 2.438 179.998 177.584 -0.041 0.000 1.193 252 A CA 2.215 54.227 52.037 -0.042 0.000 0.629 252 A CB -0.718 18.254 19.000 -0.047 0.000 0.826 252 A HN 0.526 nan 8.150 nan 0.000 0.447 253 R N -0.786 119.698 120.500 -0.027 0.000 2.094 253 R HA -0.127 4.219 4.340 0.009 0.000 0.239 253 R C 2.141 178.410 176.300 -0.052 0.000 1.137 253 R CA 1.723 57.807 56.100 -0.027 0.000 0.943 253 R CB -0.631 29.663 30.300 -0.011 0.000 0.850 253 R HN 0.566 nan 8.270 nan 0.000 0.433 254 L N 0.689 121.874 121.223 -0.063 0.000 2.187 254 L HA -0.131 4.215 4.340 0.009 0.000 0.213 254 L C 2.124 178.791 176.870 -0.338 0.000 1.100 254 L CA 0.899 55.653 54.840 -0.144 0.000 0.765 254 L CB -0.320 41.695 42.059 -0.074 0.000 0.904 254 L HN 0.190 nan 8.230 nan 0.000 0.437 255 V N -3.787 115.971 119.914 -0.260 0.000 3.596 255 V HA 0.478 4.604 4.120 0.009 0.000 0.289 255 V C 1.148 177.186 176.094 -0.092 0.000 1.336 255 V CA 0.320 62.488 62.300 -0.220 0.000 1.137 255 V CB -0.213 31.532 31.823 -0.130 0.000 0.966 255 V HN 0.463 nan 8.190 nan 0.000 0.428 256 G N -0.864 107.892 108.800 -0.072 0.000 2.130 256 G HA2 -0.197 3.769 3.960 0.009 0.000 0.216 256 G HA3 -0.197 3.769 3.960 0.009 0.000 0.216 256 G C -0.015 174.873 174.900 -0.021 0.000 0.999 256 G CA -0.059 45.021 45.100 -0.034 0.000 0.686 256 G HN 0.688 nan 8.290 nan 0.000 0.515 266 D N 1.627 122.019 120.400 -0.012 0.000 2.149 266 D HA -0.065 4.581 4.640 0.009 0.000 0.201 266 D C 1.514 177.805 176.300 -0.016 0.000 0.972 266 D CA 1.640 55.628 54.000 -0.020 0.000 0.835 266 D CB 0.083 40.870 40.800 -0.021 0.000 0.966 266 D HN 0.571 nan 8.370 nan 0.000 0.476 267 T N 0.706 115.257 114.554 -0.004 0.000 2.684 267 T HA -0.208 4.147 4.350 0.009 0.000 0.267 267 T C 1.807 176.511 174.700 0.007 0.000 1.036 267 T CA 1.587 63.690 62.100 0.005 0.000 1.148 267 T CB -0.235 68.639 68.868 0.009 0.000 0.863 267 T HN 0.310 nan 8.240 nan 0.000 0.436 268 E N 0.508 120.709 120.200 0.003 0.000 2.106 268 E HA -0.084 4.271 4.350 0.009 0.000 0.192 268 E C 2.208 178.809 176.600 0.001 0.000 0.984 268 E CA 0.679 57.081 56.400 0.004 0.000 0.806 268 E CB -0.211 29.490 29.700 0.002 0.000 0.750 268 E HN 0.472 nan 8.360 nan 0.000 0.458 269 L N 0.389 121.605 121.223 -0.010 0.000 2.027 269 L HA -0.110 4.235 4.340 0.009 0.000 0.206 269 L C 2.244 179.099 176.870 -0.025 0.000 1.074 269 L CA 1.132 55.959 54.840 -0.023 0.000 0.745 269 L CB -0.103 41.933 42.059 -0.038 0.000 0.898 269 L HN 0.201 nan 8.230 nan 0.000 0.433 270 I N -0.029 120.526 120.570 -0.025 0.000 2.252 270 I HA -0.227 3.948 4.170 0.009 0.000 0.245 270 I C 2.773 178.938 176.117 0.080 0.000 1.102 270 I CA 0.995 62.294 61.300 -0.002 0.000 1.385 270 I CB -0.622 37.376 38.000 -0.004 0.000 1.064 270 I HN 0.307 nan 8.210 nan 0.000 0.414 271 A N -0.093 122.759 122.820 0.054 0.000 1.892 271 A HA -0.333 3.992 4.320 0.009 0.000 0.218 271 A C 2.542 180.159 177.584 0.054 0.000 1.188 271 A CA 2.243 54.312 52.037 0.055 0.000 0.631 271 A CB -1.464 17.556 19.000 0.033 0.000 0.822 271 A HN 0.629 nan 8.150 nan 0.000 0.447 272 c N -0.745 117.878 118.600 0.038 0.000 2.446 272 c HA 0.042 4.617 4.570 0.009 0.000 0.277 272 c C 2.612 176.732 174.090 0.050 0.000 1.275 272 c CA 1.008 57.356 56.329 0.032 0.000 1.727 272 c CB -1.567 40.952 42.510 0.014 0.000 2.010 272 c HN 0.591 nan 8.230 nan 0.000 0.486 273 L N 0.356 121.621 121.223 0.071 0.000 2.083 273 L HA -0.118 4.227 4.340 0.009 0.000 0.209 273 L C 2.948 179.936 176.870 0.196 0.000 1.083 273 L CA 1.485 56.403 54.840 0.130 0.000 0.752 273 L CB -0.647 41.488 42.059 0.127 0.000 0.899 273 L HN 0.354 nan 8.230 nan 0.000 0.433 274 R N -0.519 120.097 120.500 0.194 0.000 2.193 274 R HA -0.122 4.224 4.340 0.009 0.000 0.229 274 R C 2.172 178.495 176.300 0.038 0.000 1.110 274 R CA 1.681 57.837 56.100 0.092 0.000 0.988 274 R CB -0.404 29.941 30.300 0.075 0.000 0.871 274 R HN 0.520 nan 8.270 nan 0.000 0.458 275 T N -1.502 113.079 114.554 0.045 0.000 3.088 275 T HA 0.077 4.433 4.350 0.009 0.000 0.259 275 T C 0.822 175.536 174.700 0.024 0.000 1.122 275 T CA -0.033 62.083 62.100 0.026 0.000 1.095 275 T CB 0.124 69.007 68.868 0.024 0.000 0.930 275 T HN -0.135 nan 8.240 nan 0.000 0.508 276 R N 2.655 123.176 120.500 0.035 0.000 2.490 276 R HA 0.449 4.794 4.340 0.009 0.000 0.280 276 R C -2.728 173.586 176.300 0.023 0.000 1.077 276 R CA -3.203 52.917 56.100 0.033 0.000 1.065 276 R CB -0.673 29.652 30.300 0.042 0.000 1.003 276 R HN 0.229 nan 8.270 nan 0.000 0.470 277 P HA -0.024 nan 4.420 nan 0.000 0.265 277 P C 0.290 177.576 177.300 -0.024 0.000 1.187 277 P CA 0.269 63.363 63.100 -0.010 0.000 0.766 277 P CB 0.535 32.242 31.700 0.011 0.000 0.820 278 A N 2.842 125.579 122.820 -0.137 0.000 1.948 278 A HA -0.279 4.047 4.320 0.009 0.000 0.220 278 A C 2.144 179.644 177.584 -0.139 0.000 1.177 278 A CA 1.928 53.855 52.037 -0.184 0.000 0.636 278 A CB -1.087 17.348 19.000 -0.941 0.000 0.815 278 A HN 0.549 nan 8.150 nan 0.000 0.449 279 Q N -0.058 119.651 119.800 -0.152 0.000 2.172 279 Q HA -0.129 4.217 4.340 0.009 0.000 0.200 279 Q C 1.235 177.328 176.000 0.154 0.000 0.964 279 Q CA 1.785 57.649 55.803 0.102 0.000 0.855 279 Q CB -0.277 28.563 28.738 0.170 0.000 0.918 279 Q HN 0.626 nan 8.270 nan 0.000 0.444 280 D N -0.370 120.107 120.400 0.129 0.000 2.144 280 D HA -0.148 4.498 4.640 0.009 0.000 0.199 280 D C 1.685 178.137 176.300 0.254 0.000 0.984 280 D CA 1.017 55.139 54.000 0.202 0.000 0.834 280 D CB -0.114 40.780 40.800 0.157 0.000 0.955 280 D HN 0.303 nan 8.370 nan 0.000 0.465 281 L N 0.103 121.408 121.223 0.137 0.000 2.027 281 L HA -0.126 4.219 4.340 0.009 0.000 0.206 281 L C 2.485 179.412 176.870 0.095 0.000 1.074 281 L CA 0.655 55.524 54.840 0.049 0.000 0.745 281 L CB -0.553 41.404 42.059 -0.170 0.000 0.898 281 L HN -0.026 nan 8.230 nan 0.000 0.433 282 V N -0.030 119.995 119.914 0.184 0.000 2.287 282 V HA -0.294 3.831 4.120 0.009 0.000 0.248 282 V C 2.025 178.254 176.094 0.224 0.000 1.053 282 V CA 1.954 64.416 62.300 0.271 0.000 1.027 282 V CB -0.579 31.512 31.823 0.446 0.000 0.646 282 V HN 0.421 nan 8.190 nan 0.000 0.447 283 D N -0.879 119.623 120.400 0.170 0.000 2.263 283 D HA -0.133 4.513 4.640 0.009 0.000 0.208 283 D C 1.692 177.843 176.300 -0.248 0.000 0.971 283 D CA 1.299 55.307 54.000 0.012 0.000 0.867 283 D CB -0.218 40.545 40.800 -0.062 0.000 0.929 283 D HN 0.650 nan 8.370 nan 0.000 0.492 284 H N -1.099 117.990 119.070 0.031 0.000 2.755 284 H HA 0.127 4.689 4.556 0.009 0.000 0.273 284 H C 1.582 176.850 175.328 -0.100 0.000 1.055 284 H CA 0.113 56.130 56.048 -0.052 0.000 1.191 284 H CB 0.434 30.277 29.762 0.135 0.000 1.536 284 H HN 0.246 nan 8.280 nan 0.000 0.529 285 E N 0.312 120.508 120.200 -0.007 0.000 2.150 285 E HA -0.189 4.167 4.350 0.009 0.000 0.193 285 E C 0.781 177.245 176.600 -0.225 0.000 0.985 285 E CA 0.934 57.324 56.400 -0.017 0.000 0.814 285 E CB -0.251 29.405 29.700 -0.073 0.000 0.752 285 E HN 0.531 nan 8.360 nan 0.000 0.466 286 W N 0.623 121.832 121.300 -0.152 0.000 2.595 286 W HA 0.012 4.677 4.660 0.009 0.000 0.257 286 W C 1.673 178.181 176.519 -0.018 0.000 1.267 286 W CA 0.332 57.583 57.345 -0.157 0.000 1.300 286 W CB 0.097 29.412 29.460 -0.243 0.000 1.120 286 W HN 0.215 nan 8.180 nan 0.000 0.618 287 H N -0.435 118.765 119.070 0.217 0.000 2.556 287 H HA -0.001 4.561 4.556 0.009 0.000 0.268 287 H C 2.048 177.435 175.328 0.097 0.000 0.996 287 H CA 1.217 57.364 56.048 0.164 0.000 1.157 287 H CB -0.712 29.165 29.762 0.191 0.000 1.355 287 H HN 0.254 nan 8.280 nan 0.000 0.597 288 V N -2.437 117.566 119.914 0.147 0.000 3.660 288 V HA 0.196 4.321 4.120 0.009 0.000 0.276 288 V C 0.930 177.007 176.094 -0.028 0.000 1.317 288 V CA -0.134 62.188 62.300 0.037 0.000 1.097 288 V CB -0.276 31.526 31.823 -0.034 0.000 0.863 288 V HN -0.009 nan 8.190 nan 0.000 0.438 289 L N 2.374 123.596 121.223 -0.001 0.000 2.485 289 L HA 0.198 4.543 4.340 0.009 0.000 0.275 289 L C -0.350 176.524 176.870 0.007 0.000 1.207 289 L CA -0.860 53.973 54.840 -0.012 0.000 0.855 289 L CB 0.667 42.751 42.059 0.042 0.000 1.114 289 L HN 0.162 nan 8.230 nan 0.000 0.485 290 P HA -0.074 nan 4.420 nan 0.000 0.221 290 P C -0.057 177.248 177.300 0.008 0.000 1.150 290 P CA 1.035 64.133 63.100 -0.004 0.000 0.800 290 P CB 0.453 32.144 31.700 -0.015 0.000 0.787 291 Q N -0.994 118.813 119.800 0.011 0.000 2.458 291 Q HA 0.323 4.668 4.340 0.009 0.000 0.282 291 Q C -0.557 175.458 176.000 0.024 0.000 1.106 291 Q CA -0.752 55.060 55.803 0.015 0.000 0.814 291 Q CB 1.602 30.345 28.738 0.009 0.000 1.425 291 Q HN -0.037 nan 8.270 nan 0.000 0.437 292 E N 0.978 121.191 120.200 0.023 0.000 2.406 292 E HA 0.266 4.621 4.350 0.009 0.000 0.258 292 E C -1.067 175.542 176.600 0.015 0.000 1.043 292 E CA 0.076 56.490 56.400 0.023 0.000 0.929 292 E CB 0.224 29.936 29.700 0.020 0.000 0.969 292 E HN 0.573 nan 8.360 nan 0.000 0.462 293 S N 4.047 119.755 115.700 0.013 0.000 2.625 293 S HA 0.652 5.127 4.470 0.009 0.000 0.271 293 S C -0.399 174.199 174.600 -0.005 0.000 1.161 293 S CA -1.064 57.138 58.200 0.002 0.000 0.820 293 S CB 0.897 64.093 63.200 -0.006 0.000 1.137 293 S HN 0.549 nan 8.310 nan 0.000 0.470 294 I N -2.708 117.860 120.570 -0.004 0.000 2.846 294 I HA 0.786 4.961 4.170 0.009 0.000 0.307 294 I C -0.287 175.800 176.117 -0.050 0.000 1.053 294 I CA -1.131 60.175 61.300 0.011 0.000 1.050 294 I CB 1.288 39.347 38.000 0.099 0.000 1.239 294 I HN 0.777 nan 8.210 nan 0.000 0.439 295 F N 1.762 121.502 119.950 -0.349 0.000 3.091 295 F HA -0.182 4.350 4.527 0.009 0.000 0.288 295 F C -0.339 174.898 175.800 -0.938 0.000 0.907 295 F CA 0.623 58.147 58.000 -0.792 0.000 1.028 295 F CB -0.650 37.781 39.000 -0.948 0.000 1.022 295 F HN 0.607 nan 8.300 nan 0.000 0.665 296 R N 0.299 120.341 120.500 -0.763 0.000 2.686 296 R HA 0.692 5.037 4.340 0.009 0.000 0.283 296 R C -1.058 174.794 176.300 -0.746 0.000 0.978 296 R CA -0.579 55.126 56.100 -0.660 0.000 0.897 296 R CB 1.471 31.652 30.300 -0.197 0.000 1.192 296 R HN -0.005 nan 8.270 nan 0.000 0.457 297 F N -0.870 119.183 119.950 0.172 0.000 2.556 297 F HA 0.344 4.877 4.527 0.008 0.000 0.314 297 F C 1.381 177.114 175.800 -0.111 0.000 1.106 297 F CA -0.815 57.212 58.000 0.046 0.000 0.911 297 F CB 1.967 41.097 39.000 0.217 0.000 1.190 297 F HN 0.345 nan 8.300 nan 0.000 0.448 298 S N 0.825 116.417 115.700 -0.180 0.000 2.355 298 S HA 0.013 4.488 4.470 0.009 0.000 0.222 298 S C 0.009 174.208 174.600 -0.668 0.000 1.031 298 S CA 1.145 59.047 58.200 -0.496 0.000 0.993 298 S CB -0.180 62.609 63.200 -0.685 0.000 0.859 298 S HN 0.356 nan 8.310 nan 0.000 0.453 299 F N 1.594 121.552 119.950 0.014 0.000 2.366 299 F HA 0.543 5.076 4.527 0.009 0.000 0.366 299 F C -0.035 175.773 175.800 0.013 0.000 1.096 299 F CA -0.987 57.050 58.000 0.061 0.000 1.060 299 F CB 1.290 40.352 39.000 0.104 0.000 1.282 299 F HN -0.109 nan 8.300 nan 0.000 0.450 300 V N 0.783 120.671 119.914 -0.043 0.000 3.167 300 V HA 0.769 4.894 4.120 0.009 0.000 0.310 300 V C -2.880 172.890 176.094 -0.539 0.000 1.207 300 V CA -3.342 58.618 62.300 -0.567 0.000 1.059 300 V CB 1.996 33.653 31.823 -0.278 0.000 1.079 300 V HN 0.251 nan 8.190 nan 0.000 0.446 301 P HA 0.118 nan 4.420 nan 0.000 0.264 301 P C -0.711 176.467 177.300 -0.203 0.000 1.179 301 P CA 0.498 63.348 63.100 -0.417 0.000 0.763 301 P CB 0.466 31.839 31.700 -0.545 0.000 0.806 302 V N 4.659 124.521 119.914 -0.086 0.000 2.581 302 V HA 0.234 4.360 4.120 0.009 0.000 0.303 302 V C -0.354 175.722 176.094 -0.030 0.000 1.041 302 V CA -0.896 61.377 62.300 -0.046 0.000 0.907 302 V CB 2.127 33.949 31.823 -0.001 0.000 0.994 302 V HN 0.141 nan 8.190 nan 0.000 0.442 303 V N 7.382 127.279 119.914 -0.029 0.000 2.341 303 V HA 0.172 4.298 4.120 0.009 0.000 0.248 303 V C 0.801 176.900 176.094 0.008 0.000 1.107 303 V CA 0.338 62.633 62.300 -0.008 0.000 1.069 303 V CB 0.076 31.887 31.823 -0.020 0.000 1.177 303 V HN 1.055 nan 8.190 nan 0.000 0.492 304 D N 2.605 123.023 120.400 0.030 0.000 2.367 304 D HA 0.126 4.772 4.640 0.009 0.000 0.207 304 D C 1.527 177.849 176.300 0.036 0.000 1.034 304 D CA 0.674 54.695 54.000 0.036 0.000 0.861 304 D CB 0.394 41.227 40.800 0.055 0.000 0.943 304 D HN 0.673 nan 8.370 nan 0.000 0.515 305 G N 0.650 109.472 108.800 0.037 0.000 2.143 305 G HA2 -0.308 3.658 3.960 0.009 0.000 0.248 305 G HA3 -0.308 3.658 3.960 0.009 0.000 0.248 305 G C 0.277 175.197 174.900 0.034 0.000 0.991 305 G CA 0.741 45.858 45.100 0.027 0.000 0.689 305 G HN 0.561 nan 8.290 nan 0.000 0.522 306 D N -1.854 118.582 120.400 0.059 0.000 2.973 306 D HA 0.244 4.890 4.640 0.009 0.000 0.187 306 D C 1.655 178.005 176.300 0.082 0.000 1.467 306 D CA 0.373 54.411 54.000 0.064 0.000 1.515 306 D CB -0.694 40.154 40.800 0.081 0.000 1.182 306 D HN 0.052 nan 8.370 nan 0.000 0.213 307 F N 1.208 121.163 119.950 0.008 0.000 2.091 307 F HA 0.135 4.667 4.527 0.009 0.000 0.299 307 F C 0.590 176.387 175.800 -0.005 0.000 1.103 307 F CA 1.311 59.315 58.000 0.006 0.000 1.228 307 F CB 0.123 39.124 39.000 0.001 0.000 0.984 307 F HN 0.007 nan 8.300 nan 0.000 0.477 308 L N 0.669 122.046 121.223 0.257 0.000 2.277 308 L HA 0.195 4.540 4.340 0.009 0.000 0.284 308 L C 1.299 178.207 176.870 0.064 0.000 1.028 308 L CA -0.194 54.729 54.840 0.139 0.000 0.835 308 L CB 1.412 43.543 42.059 0.120 0.000 1.215 308 L HN 0.060 nan 8.230 nan 0.000 0.425 309 S N 0.340 116.058 115.700 0.030 0.000 2.461 309 S HA 0.025 4.501 4.470 0.009 0.000 0.228 309 S C 0.441 175.048 174.600 0.011 0.000 1.005 309 S CA 0.318 58.526 58.200 0.013 0.000 0.942 309 S CB 0.203 63.401 63.200 -0.005 0.000 0.776 309 S HN 0.692 nan 8.310 nan 0.000 0.514 310 D N 0.380 120.788 120.400 0.013 0.000 2.759 310 D HA 0.308 4.953 4.640 0.009 0.000 0.321 310 D C -0.870 175.432 176.300 0.004 0.000 1.267 310 D CA -0.058 53.945 54.000 0.006 0.000 0.933 310 D CB 1.510 42.311 40.800 0.002 0.000 1.431 310 D HN 0.217 nan 8.370 nan 0.000 0.504 311 T N -0.884 113.665 114.554 -0.007 0.000 2.932 311 T HA 0.225 4.581 4.350 0.009 0.000 0.312 311 T C -1.800 172.891 174.700 -0.014 0.000 1.071 311 T CA -0.721 61.367 62.100 -0.020 0.000 1.128 311 T CB 0.965 69.815 68.868 -0.031 0.000 0.984 311 T HN 0.107 nan 8.240 nan 0.000 0.549 312 P HA -0.147 nan 4.420 nan 0.000 0.217 312 P C 1.463 178.752 177.300 -0.018 0.000 1.151 312 P CA 1.264 64.349 63.100 -0.025 0.000 0.849 312 P CB 0.083 31.740 31.700 -0.072 0.000 0.787 313 E N -0.331 119.849 120.200 -0.033 0.000 2.038 313 E HA -0.230 4.126 4.350 0.009 0.000 0.195 313 E C 1.962 178.564 176.600 0.004 0.000 1.000 313 E CA 1.445 57.831 56.400 -0.022 0.000 0.803 313 E CB -0.607 29.074 29.700 -0.033 0.000 0.750 313 E HN 0.081 nan 8.360 nan 0.000 0.448 314 A N 0.989 123.811 122.820 0.004 0.000 1.877 314 A HA -0.163 4.163 4.320 0.009 0.000 0.216 314 A C 2.249 179.854 177.584 0.035 0.000 1.186 314 A CA 1.404 53.449 52.037 0.013 0.000 0.620 314 A CB -0.721 18.281 19.000 0.003 0.000 0.822 314 A HN 0.337 nan 8.150 nan 0.000 0.443 315 L N -0.146 121.105 121.223 0.047 0.000 2.093 315 L HA -0.129 4.216 4.340 0.009 0.000 0.208 315 L C 2.563 179.544 176.870 0.185 0.000 1.085 315 L CA 1.489 56.381 54.840 0.087 0.000 0.755 315 L CB -0.612 41.499 42.059 0.087 0.000 0.904 315 L HN 0.687 nan 8.230 nan 0.000 0.435 316 I N -2.839 117.830 120.570 0.165 0.000 2.676 316 I HA -0.117 4.059 4.170 0.009 0.000 0.259 316 I C 1.878 178.121 176.117 0.210 0.000 1.194 316 I CA 1.166 62.599 61.300 0.221 0.000 1.473 316 I CB -0.329 37.697 38.000 0.043 0.000 1.096 316 I HN 0.182 nan 8.210 nan 0.000 0.443 317 N N 1.488 120.258 118.700 0.118 0.000 2.250 317 N HA -0.088 4.658 4.740 0.009 0.000 0.181 317 N C 1.917 177.471 175.510 0.074 0.000 1.017 317 N CA 2.120 55.221 53.050 0.085 0.000 0.866 317 N CB -0.354 38.160 38.487 0.045 0.000 0.985 317 N HN 0.645 nan 8.380 nan 0.000 0.429 318 T N -3.194 111.392 114.554 0.053 0.000 3.014 318 T HA 0.263 4.619 4.350 0.009 0.000 0.250 318 T C 1.103 175.762 174.700 -0.067 0.000 1.060 318 T CA -0.238 61.861 62.100 -0.000 0.000 1.040 318 T CB -0.169 68.691 68.868 -0.014 0.000 0.971 318 T HN 0.057 nan 8.240 nan 0.000 0.497 319 G N 1.202 109.947 108.800 -0.093 0.000 2.544 319 G HA2 0.354 4.319 3.960 0.009 0.000 0.242 319 G HA3 0.354 4.319 3.960 0.009 0.000 0.242 319 G C -0.921 173.561 174.900 -0.698 0.000 1.247 319 G CA -0.378 44.425 45.100 -0.495 0.000 0.840 319 G HN 0.301 nan 8.290 nan 0.000 0.578 320 D N 0.803 120.754 120.400 -0.748 0.000 2.373 320 D HA 0.296 4.941 4.640 0.009 0.000 0.227 320 D C -0.465 175.467 176.300 -0.614 0.000 1.091 320 D CA -0.662 53.042 54.000 -0.493 0.000 0.840 320 D CB 0.616 41.261 40.800 -0.258 0.000 1.060 320 D HN 0.116 nan 8.370 nan 0.000 0.502 321 F N 2.096 122.049 119.950 0.004 0.000 2.855 321 F HA 0.224 4.757 4.527 0.009 0.000 0.317 321 F C 2.043 177.848 175.800 0.008 0.000 1.169 321 F CA -0.400 57.605 58.000 0.009 0.000 1.299 321 F CB 0.294 39.307 39.000 0.022 0.000 0.962 321 F HN 0.316 nan 8.300 nan 0.000 0.506 322 Q N 0.212 120.067 119.800 0.091 0.000 2.135 322 Q HA -0.198 4.148 4.340 0.009 0.000 0.204 322 Q C 0.460 176.497 176.000 0.061 0.000 0.981 322 Q CA 1.756 57.597 55.803 0.064 0.000 0.856 322 Q CB -0.141 28.608 28.738 0.018 0.000 0.902 322 Q HN 0.430 nan 8.270 nan 0.000 0.425 323 D N -0.397 120.035 120.400 0.052 0.000 2.395 323 D HA 0.124 4.769 4.640 0.009 0.000 0.226 323 D C -0.973 175.360 176.300 0.056 0.000 1.146 323 D CA -0.028 53.994 54.000 0.036 0.000 0.830 323 D CB 0.382 41.185 40.800 0.004 0.000 0.958 323 D HN -0.018 nan 8.370 nan 0.000 0.501 324 L N 1.018 122.305 121.223 0.107 0.000 2.317 324 L HA 0.423 4.768 4.340 0.009 0.000 0.281 324 L C -0.935 176.010 176.870 0.125 0.000 1.024 324 L CA -0.348 54.569 54.840 0.128 0.000 0.810 324 L CB 1.406 43.581 42.059 0.193 0.000 1.240 324 L HN -0.136 nan 8.230 nan 0.000 0.427 325 Q N 4.447 124.335 119.800 0.147 0.000 2.330 325 Q HA 0.711 5.057 4.340 0.009 0.000 0.269 325 Q C -1.282 174.957 176.000 0.399 0.000 1.022 325 Q CA -0.743 55.195 55.803 0.224 0.000 0.796 325 Q CB 2.542 31.367 28.738 0.144 0.000 1.271 325 Q HN 0.565 nan 8.270 nan 0.000 0.450 326 V N 0.056 120.179 119.914 0.349 0.000 2.789 326 V HA 0.709 4.834 4.120 0.009 0.000 0.311 326 V C -1.483 174.583 176.094 -0.047 0.000 1.073 326 V CA -1.109 61.320 62.300 0.216 0.000 0.921 326 V CB 1.851 33.715 31.823 0.069 0.000 1.009 326 V HN 0.604 nan 8.190 nan 0.000 0.426 327 L N 6.042 127.016 121.223 -0.415 0.000 2.313 327 L HA 0.919 5.264 4.340 0.009 0.000 0.283 327 L C -0.294 176.460 176.870 -0.194 0.000 1.013 327 L CA -0.359 54.152 54.840 -0.549 0.000 0.816 327 L CB 1.395 42.660 42.059 -1.325 0.000 1.236 327 L HN 1.086 nan 8.230 nan 0.000 0.419 328 V N 2.181 122.061 119.914 -0.056 0.000 3.078 328 V HA 1.137 5.262 4.120 0.009 0.000 0.311 328 V C -0.236 175.692 176.094 -0.277 0.000 1.138 328 V CA 0.196 62.455 62.300 -0.068 0.000 1.007 328 V CB 1.279 33.024 31.823 -0.131 0.000 1.045 328 V HN 1.147 nan 8.190 nan 0.000 0.432 329 G N 0.592 109.085 108.800 -0.510 0.000 2.340 329 G HA2 0.751 4.716 3.960 0.009 0.000 0.299 329 G HA3 0.751 4.716 3.960 0.009 0.000 0.299 329 G C -1.189 173.393 174.900 -0.530 0.000 1.291 329 G CA 0.182 44.607 45.100 -1.124 0.000 0.841 329 G HN 2.149 nan 8.290 nan 0.000 0.500 330 V N -2.425 117.290 119.914 -0.331 0.000 3.188 330 V HA 0.915 5.040 4.120 0.009 0.000 0.305 330 V C 0.285 176.562 176.094 0.303 0.000 1.232 330 V CA -0.324 62.019 62.300 0.072 0.000 1.043 330 V CB 1.075 32.920 31.823 0.036 0.000 1.068 330 V HN 1.984 nan 8.190 nan 0.000 0.439 331 V N -0.223 119.895 119.914 0.340 0.000 3.109 331 V HA 0.565 4.690 4.120 0.009 0.000 0.317 331 V C 1.411 177.698 176.094 0.322 0.000 1.074 331 V CA 0.084 62.636 62.300 0.420 0.000 1.033 331 V CB 1.225 33.295 31.823 0.411 0.000 1.111 331 V HN 1.090 nan 8.190 nan 0.000 0.458 332 K N -0.025 120.562 120.400 0.312 0.000 2.097 332 K HA -0.072 4.253 4.320 0.009 0.000 0.206 332 K C 0.021 176.746 176.600 0.210 0.000 1.049 332 K CA 2.017 58.442 56.287 0.230 0.000 0.933 332 K CB -0.026 32.587 32.500 0.188 0.000 0.717 332 K HN 0.959 nan 8.250 nan 0.000 0.442 333 D N 0.581 121.115 120.400 0.225 0.000 2.607 333 D HA 0.063 4.709 4.640 0.009 0.000 0.318 333 D C 0.055 176.498 176.300 0.238 0.000 1.212 333 D CA -0.195 53.930 54.000 0.208 0.000 0.861 333 D CB 1.323 42.227 40.800 0.173 0.000 1.064 333 D HN 0.029 nan 8.370 nan 0.000 0.500 334 E N 0.560 120.910 120.200 0.249 0.000 2.118 334 E HA -0.130 4.225 4.350 0.009 0.000 0.195 334 E C 2.128 178.917 176.600 0.314 0.000 0.992 334 E CA 0.939 57.516 56.400 0.294 0.000 0.804 334 E CB 0.002 29.842 29.700 0.233 0.000 0.741 334 E HN 0.524 nan 8.360 nan 0.000 0.458 335 G N 1.049 110.003 108.800 0.257 0.000 2.551 335 G HA2 -0.181 3.785 3.960 0.009 0.000 0.216 335 G HA3 -0.181 3.785 3.960 0.009 0.000 0.216 335 G C 1.755 176.861 174.900 0.343 0.000 1.137 335 G CA 0.896 46.167 45.100 0.285 0.000 0.798 335 G HN 0.371 nan 8.290 nan 0.000 0.536 336 S N 0.113 115.969 115.700 0.260 0.000 2.356 336 S HA -0.243 4.233 4.470 0.009 0.000 0.223 336 S C 2.101 176.753 174.600 0.087 0.000 1.032 336 S CA 1.332 59.651 58.200 0.198 0.000 1.005 336 S CB -0.845 62.399 63.200 0.074 0.000 0.867 336 S HN 0.402 nan 8.310 nan 0.000 0.449 337 Y N 1.867 122.062 120.300 -0.175 0.000 2.096 337 Y HA -0.261 4.295 4.550 0.009 0.000 0.278 337 Y C 1.885 177.662 175.900 -0.206 0.000 1.192 337 Y CA 2.114 59.953 58.100 -0.435 0.000 1.143 337 Y CB -0.666 37.418 38.460 -0.627 0.000 0.963 337 Y HN 0.292 nan 8.280 nan 0.000 0.505 338 F N -0.771 119.294 119.950 0.192 0.000 2.407 338 F HA -0.149 4.383 4.527 0.009 0.000 0.299 338 F C 1.999 177.873 175.800 0.125 0.000 1.097 338 F CA 0.789 58.893 58.000 0.173 0.000 1.422 338 F CB -0.429 38.598 39.000 0.044 0.000 1.067 338 F HN 0.027 nan 8.300 nan 0.000 0.539 339 L N -0.129 121.199 121.223 0.175 0.000 2.141 339 L HA -0.129 4.216 4.340 0.009 0.000 0.209 339 L C 2.325 179.225 176.870 0.050 0.000 1.094 339 L CA 0.967 55.767 54.840 -0.067 0.000 0.763 339 L CB -0.875 40.909 42.059 -0.458 0.000 0.908 339 L HN 0.170 nan 8.230 nan 0.000 0.437 340 V N -4.864 115.124 119.914 0.125 0.000 3.510 340 V HA -0.133 3.993 4.120 0.009 0.000 0.270 340 V C 1.294 177.284 176.094 -0.173 0.000 1.201 340 V CA 0.746 63.090 62.300 0.074 0.000 1.166 340 V CB -1.108 30.792 31.823 0.129 0.000 0.825 340 V HN 0.319 nan 8.190 nan 0.000 0.484 341 Y N 1.231 121.544 120.300 0.022 0.000 2.524 341 Y HA 0.654 5.209 4.550 0.009 0.000 0.266 341 Y C 1.821 177.699 175.900 -0.037 0.000 1.180 341 Y CA 0.404 58.486 58.100 -0.031 0.000 1.244 341 Y CB 0.956 39.394 38.460 -0.038 0.000 1.125 341 Y HN 0.409 nan 8.280 nan 0.000 0.524 342 G N -1.403 107.453 108.800 0.093 0.000 4.044 342 G HA2 -0.027 3.939 3.960 0.009 0.000 0.189 342 G HA3 -0.027 3.939 3.960 0.009 0.000 0.189 342 G C -0.719 174.222 174.900 0.068 0.000 0.838 342 G CA -0.345 44.793 45.100 0.064 0.000 0.876 342 G HN -0.087 nan 8.290 nan 0.000 0.419 343 V N 3.383 123.348 119.914 0.086 0.000 2.385 343 V HA 0.399 4.524 4.120 0.009 0.000 0.269 343 V C -2.065 174.188 176.094 0.264 0.000 1.043 343 V CA -1.553 60.830 62.300 0.138 0.000 0.906 343 V CB 1.163 33.004 31.823 0.029 0.000 0.995 343 V HN 0.062 nan 8.190 nan 0.000 0.467 344 P HA 0.283 nan 4.420 nan 0.000 0.265 344 P C 0.998 178.393 177.300 0.159 0.000 1.193 344 P CA 1.115 64.299 63.100 0.140 0.000 0.765 344 P CB 0.743 32.491 31.700 0.079 0.000 0.823 345 G N 1.136 109.970 108.800 0.057 0.000 2.218 345 G HA2 -0.200 3.766 3.960 0.009 0.000 0.216 345 G HA3 -0.200 3.766 3.960 0.009 0.000 0.216 345 G C -0.218 174.499 174.900 -0.306 0.000 0.994 345 G CA -0.610 44.405 45.100 -0.141 0.000 0.637 345 G HN 0.391 nan 8.290 nan 0.000 0.505 346 F N 1.555 121.493 119.950 -0.020 0.000 2.421 346 F HA 0.804 5.337 4.527 0.009 0.000 0.337 346 F C 0.599 176.451 175.800 0.086 0.000 1.105 346 F CA -0.191 57.807 58.000 -0.004 0.000 1.049 346 F CB 2.269 41.304 39.000 0.058 0.000 1.139 346 F HN 0.123 nan 8.300 nan 0.000 0.479 347 S N 1.449 117.334 115.700 0.309 0.000 2.537 347 S HA 0.264 4.740 4.470 0.009 0.000 0.270 347 S C 0.307 175.168 174.600 0.435 0.000 1.142 347 S CA -0.889 57.496 58.200 0.309 0.000 0.870 347 S CB 1.345 64.640 63.200 0.159 0.000 1.112 347 S HN 0.771 nan 8.310 nan 0.000 0.466 348 K N 1.271 121.835 120.400 0.273 0.000 2.365 348 K HA 0.095 4.421 4.320 0.009 0.000 0.199 348 K C -0.007 176.601 176.600 0.014 0.000 1.045 348 K CA 1.191 57.538 56.287 0.100 0.000 0.962 348 K CB -0.076 32.222 32.500 -0.337 0.000 0.759 348 K HN 0.452 nan 8.250 nan 0.000 0.469 349 D N 0.922 121.321 120.400 -0.002 0.000 2.369 349 D HA 0.029 4.674 4.640 0.009 0.000 0.211 349 D C -0.350 175.966 176.300 0.027 0.000 1.077 349 D CA 0.155 54.131 54.000 -0.041 0.000 0.842 349 D CB 0.176 40.928 40.800 -0.080 0.000 0.947 349 D HN 0.474 nan 8.370 nan 0.000 0.509 350 N N -0.969 117.784 118.700 0.088 0.000 2.902 350 N HA 0.106 4.851 4.740 0.009 0.000 0.268 350 N C 0.376 175.932 175.510 0.076 0.000 1.450 350 N CA -0.523 52.557 53.050 0.050 0.000 0.819 350 N CB 0.892 39.368 38.487 -0.018 0.000 1.540 350 N HN -0.431 nan 8.380 nan 0.000 0.545 351 E N -0.485 119.688 120.200 -0.046 0.000 2.511 351 E HA 0.046 4.401 4.350 0.009 0.000 0.196 351 E C -0.375 175.873 176.600 -0.587 0.000 1.066 351 E CA 0.273 56.575 56.400 -0.164 0.000 0.871 351 E CB -0.613 29.027 29.700 -0.099 0.000 0.863 351 E HN 0.594 nan 8.360 nan 0.000 0.520 352 S N 0.210 115.591 115.700 -0.532 0.000 3.641 352 S HA -0.188 4.287 4.470 0.009 0.000 0.346 352 S C 0.345 174.492 174.600 -0.755 0.000 1.074 352 S CA 0.171 57.914 58.200 -0.763 0.000 1.026 352 S CB -1.814 60.696 63.200 -1.150 0.000 0.908 352 S HN 0.317 nan 8.310 nan 0.000 0.479 353 L N 1.678 122.619 121.223 -0.471 0.000 2.418 353 L HA 0.401 4.747 4.340 0.009 0.000 0.274 353 L C 0.708 177.370 176.870 -0.346 0.000 1.135 353 L CA 0.144 54.773 54.840 -0.352 0.000 0.870 353 L CB 0.130 42.055 42.059 -0.223 0.000 1.154 353 L HN 0.455 nan 8.230 nan 0.000 0.462 354 I N 0.217 120.591 120.570 -0.327 0.000 2.910 354 I HA 0.635 4.811 4.170 0.009 0.000 0.310 354 I C 0.392 176.433 176.117 -0.126 0.000 1.043 354 I CA -0.677 60.467 61.300 -0.260 0.000 1.053 354 I CB 2.073 39.887 38.000 -0.310 0.000 1.242 354 I HN 0.543 nan 8.210 nan 0.000 0.452 355 S N 2.480 118.139 115.700 -0.069 0.000 2.669 355 S HA 0.388 4.863 4.470 0.009 0.000 0.270 355 S C 0.924 175.547 174.600 0.039 0.000 1.225 355 S CA -0.502 57.684 58.200 -0.023 0.000 0.991 355 S CB 1.577 64.769 63.200 -0.012 0.000 0.987 355 S HN 0.886 nan 8.310 nan 0.000 0.552 356 R N 0.371 120.897 120.500 0.042 0.000 2.096 356 R HA -0.067 4.279 4.340 0.009 0.000 0.235 356 R C 2.350 178.742 176.300 0.153 0.000 1.127 356 R CA 1.450 57.614 56.100 0.107 0.000 0.968 356 R CB -1.086 29.250 30.300 0.060 0.000 0.861 356 R HN 0.840 nan 8.270 nan 0.000 0.440 357 A N 0.650 123.524 122.820 0.090 0.000 1.883 357 A HA -0.237 4.089 4.320 0.009 0.000 0.217 357 A C 2.018 179.653 177.584 0.086 0.000 1.186 357 A CA 1.624 53.706 52.037 0.074 0.000 0.624 357 A CB -0.504 18.523 19.000 0.044 0.000 0.822 357 A HN 0.507 nan 8.150 nan 0.000 0.444 358 Q N -2.072 117.784 119.800 0.094 0.000 2.230 358 Q HA -0.058 4.288 4.340 0.009 0.000 0.202 358 Q C 1.813 177.932 176.000 0.199 0.000 0.963 358 Q CA 1.247 57.117 55.803 0.112 0.000 0.866 358 Q CB -0.221 28.556 28.738 0.066 0.000 0.931 358 Q HN 0.817 nan 8.270 nan 0.000 0.452 359 F N 0.877 120.865 119.950 0.064 0.000 2.128 359 F HA -0.160 4.372 4.527 0.009 0.000 0.295 359 F C 1.701 177.543 175.800 0.069 0.000 1.100 359 F CA 0.917 58.967 58.000 0.084 0.000 1.260 359 F CB 0.114 39.145 39.000 0.052 0.000 1.009 359 F HN -0.049 nan 8.300 nan 0.000 0.476 360 L N 0.319 121.503 121.223 -0.065 0.000 2.017 360 L HA -0.220 4.126 4.340 0.009 0.000 0.208 360 L C 2.889 179.690 176.870 -0.115 0.000 1.073 360 L CA 1.221 55.967 54.840 -0.157 0.000 0.745 360 L CB -1.496 40.554 42.059 -0.015 0.000 0.894 360 L HN 0.269 nan 8.230 nan 0.000 0.432 361 A N 0.681 123.484 122.820 -0.030 0.000 1.883 361 A HA -0.146 4.180 4.320 0.009 0.000 0.217 361 A C 2.437 180.010 177.584 -0.017 0.000 1.186 361 A CA 1.847 53.880 52.037 -0.007 0.000 0.624 361 A CB -1.338 17.680 19.000 0.030 0.000 0.822 361 A HN 0.449 nan 8.150 nan 0.000 0.444 362 G N -0.608 108.192 108.800 -0.000 0.000 2.442 362 G HA2 -0.148 3.817 3.960 0.009 0.000 0.219 362 G HA3 -0.148 3.817 3.960 0.009 0.000 0.219 362 G C 1.483 176.331 174.900 -0.086 0.000 1.141 362 G CA 1.285 46.386 45.100 0.003 0.000 0.763 362 G HN 0.348 nan 8.290 nan 0.000 0.554 363 V N 0.940 120.731 119.914 -0.205 0.000 2.490 363 V HA -0.122 4.003 4.120 0.009 0.000 0.250 363 V C 2.939 178.972 176.094 -0.101 0.000 1.061 363 V CA 1.592 63.766 62.300 -0.209 0.000 1.064 363 V CB -0.379 31.237 31.823 -0.345 0.000 0.670 363 V HN 0.223 nan 8.190 nan 0.000 0.461 364 R N -0.059 120.395 120.500 -0.077 0.000 2.115 364 R HA 0.058 4.404 4.340 0.009 0.000 0.230 364 R C 2.003 178.290 176.300 -0.022 0.000 1.111 364 R CA 1.248 57.325 56.100 -0.038 0.000 0.976 364 R CB -0.764 29.521 30.300 -0.025 0.000 0.870 364 R HN 0.482 nan 8.270 nan 0.000 0.445 365 I N -0.583 119.974 120.570 -0.021 0.000 2.480 365 I HA -0.034 4.141 4.170 0.009 0.000 0.251 365 I C 2.193 178.306 176.117 -0.007 0.000 1.124 365 I CA 1.299 62.596 61.300 -0.006 0.000 1.444 365 I CB -0.349 37.654 38.000 0.006 0.000 1.098 365 I HN 0.163 nan 8.210 nan 0.000 0.428 366 G N 0.218 109.006 108.800 -0.020 0.000 2.551 366 G HA2 0.033 3.998 3.960 0.009 0.000 0.216 366 G HA3 0.033 3.998 3.960 0.009 0.000 0.216 366 G C 0.802 175.705 174.900 0.004 0.000 1.137 366 G CA 0.285 45.378 45.100 -0.012 0.000 0.798 366 G HN 0.221 nan 8.290 nan 0.000 0.536 367 V N 2.132 122.030 119.914 -0.026 0.000 2.454 367 V HA 0.216 4.341 4.120 0.009 0.000 0.255 367 V C -1.469 174.616 176.094 -0.014 0.000 1.009 367 V CA -1.054 61.203 62.300 -0.071 0.000 1.149 367 V CB 1.459 33.223 31.823 -0.098 0.000 1.418 367 V HN 0.065 nan 8.190 nan 0.000 0.567 368 P HA -0.119 nan 4.420 nan 0.000 0.222 368 P C 1.035 178.344 177.300 0.014 0.000 1.147 368 P CA 1.029 64.137 63.100 0.013 0.000 0.790 368 P CB 0.559 32.268 31.700 0.015 0.000 0.780 369 Q N -0.543 119.273 119.800 0.028 0.000 2.403 369 Q HA 0.270 4.615 4.340 0.009 0.000 0.203 369 Q C 0.767 176.772 176.000 0.008 0.000 0.932 369 Q CA -0.060 55.755 55.803 0.020 0.000 0.945 369 Q CB -0.412 28.347 28.738 0.035 0.000 1.045 369 Q HN 0.159 nan 8.270 nan 0.000 0.511 370 A N 0.861 123.682 122.820 0.002 0.000 2.409 370 A HA 0.442 4.767 4.320 0.009 0.000 0.262 370 A C 0.423 178.002 177.584 -0.009 0.000 1.113 370 A CA -0.349 51.683 52.037 -0.009 0.000 0.790 370 A CB 0.162 19.155 19.000 -0.011 0.000 1.046 370 A HN 0.350 nan 8.150 nan 0.000 0.496 371 S N 2.175 117.867 115.700 -0.014 0.000 2.587 371 S HA 0.034 4.510 4.470 0.009 0.000 0.260 371 S C 0.420 175.019 174.600 -0.001 0.000 1.353 371 S CA 0.297 58.491 58.200 -0.010 0.000 0.995 371 S CB 0.305 63.495 63.200 -0.016 0.000 0.912 371 S HN 0.641 nan 8.310 nan 0.000 0.568 372 D N 0.124 120.526 120.400 0.004 0.000 2.123 372 D HA -0.085 4.561 4.640 0.009 0.000 0.196 372 D C 1.733 178.047 176.300 0.024 0.000 0.992 372 D CA 0.907 54.914 54.000 0.012 0.000 0.833 372 D CB -0.465 40.342 40.800 0.013 0.000 0.954 372 D HN 0.407 nan 8.370 nan 0.000 0.455 373 L N 0.776 122.013 121.223 0.024 0.000 2.056 373 L HA -0.015 4.331 4.340 0.009 0.000 0.207 373 L C 2.103 179.010 176.870 0.062 0.000 1.078 373 L CA 1.627 56.493 54.840 0.043 0.000 0.749 373 L CB -0.878 41.201 42.059 0.033 0.000 0.901 373 L HN -0.015 nan 8.230 nan 0.000 0.433 374 A N -0.575 122.264 122.820 0.032 0.000 1.902 374 A HA -0.099 4.227 4.320 0.009 0.000 0.217 374 A C 2.447 180.069 177.584 0.064 0.000 1.181 374 A CA 1.758 53.814 52.037 0.032 0.000 0.623 374 A CB -1.129 17.850 19.000 -0.035 0.000 0.818 374 A HN 0.547 nan 8.150 nan 0.000 0.443 375 A N -0.683 122.160 122.820 0.037 0.000 1.902 375 A HA -0.158 4.167 4.320 0.009 0.000 0.217 375 A C 2.007 179.624 177.584 0.055 0.000 1.181 375 A CA 1.763 53.817 52.037 0.028 0.000 0.623 375 A CB -0.401 18.598 19.000 -0.001 0.000 0.818 375 A HN 0.436 nan 8.150 nan 0.000 0.443 376 E N -0.116 120.129 120.200 0.075 0.000 2.072 376 E HA -0.098 4.257 4.350 0.009 0.000 0.191 376 E C 2.402 179.090 176.600 0.147 0.000 0.985 376 E CA 1.139 57.601 56.400 0.103 0.000 0.801 376 E CB -0.567 29.189 29.700 0.093 0.000 0.750 376 E HN 0.531 nan 8.360 nan 0.000 0.452 377 A N 0.878 123.806 122.820 0.180 0.000 1.892 377 A HA -0.195 4.131 4.320 0.009 0.000 0.218 377 A C 2.617 180.313 177.584 0.186 0.000 1.188 377 A CA 1.870 54.060 52.037 0.255 0.000 0.631 377 A CB -0.825 18.449 19.000 0.456 0.000 0.822 377 A HN 0.157 nan 8.150 nan 0.000 0.447 378 V N -0.555 119.490 119.914 0.218 0.000 2.261 378 V HA -0.239 3.887 4.120 0.009 0.000 0.246 378 V C 2.579 178.822 176.094 0.248 0.000 1.047 378 V CA 2.002 64.403 62.300 0.168 0.000 1.015 378 V CB -0.835 31.072 31.823 0.139 0.000 0.642 378 V HN 0.377 nan 8.190 nan 0.000 0.446 379 V N -0.211 119.809 119.914 0.178 0.000 2.332 379 V HA -0.278 3.847 4.120 0.009 0.000 0.248 379 V C 2.297 178.596 176.094 0.342 0.000 1.055 379 V CA 2.095 64.547 62.300 0.253 0.000 1.038 379 V CB -0.535 31.374 31.823 0.144 0.000 0.651 379 V HN 0.449 nan 8.190 nan 0.000 0.450 380 L N -0.838 120.574 121.223 0.315 0.000 2.093 380 L HA -0.187 4.158 4.340 0.009 0.000 0.208 380 L C 2.545 179.618 176.870 0.337 0.000 1.085 380 L CA 1.877 56.982 54.840 0.442 0.000 0.755 380 L CB -0.707 41.532 42.059 0.300 0.000 0.904 380 L HN 0.439 nan 8.230 nan 0.000 0.435 381 H N -1.087 117.978 119.070 -0.008 0.000 2.389 381 H HA -0.169 4.392 4.556 0.008 0.000 0.299 381 H C 1.756 176.956 175.328 -0.215 0.000 1.081 381 H CA 1.818 57.708 56.048 -0.263 0.000 1.345 381 H CB 0.077 29.346 29.762 -0.822 0.000 1.393 381 H HN 0.258 nan 8.280 nan 0.000 0.520 382 Y N -0.218 120.096 120.300 0.022 0.000 2.510 382 Y HA 0.135 4.691 4.550 0.010 0.000 0.273 382 Y C 0.807 176.653 175.900 -0.090 0.000 1.119 382 Y CA 0.354 58.480 58.100 0.045 0.000 1.286 382 Y CB 0.294 38.933 38.460 0.298 0.000 1.061 382 Y HN 0.022 nan 8.280 nan 0.000 0.542 383 T N 1.570 116.084 114.554 -0.066 0.000 2.902 383 T HA -0.071 4.284 4.350 0.009 0.000 0.301 383 T C -0.227 174.111 174.700 -0.603 0.000 1.012 383 T CA -0.140 61.653 62.100 -0.512 0.000 1.151 383 T CB 0.239 68.468 68.868 -1.065 0.000 0.946 383 T HN 0.060 nan 8.240 nan 0.000 0.542 384 D N 2.031 122.121 120.400 -0.517 0.000 2.393 384 D HA 0.095 4.741 4.640 0.009 0.000 0.232 384 D C 0.035 176.056 176.300 -0.464 0.000 1.192 384 D CA -0.690 53.079 54.000 -0.385 0.000 0.882 384 D CB 0.325 40.924 40.800 -0.335 0.000 1.038 384 D HN 0.611 nan 8.370 nan 0.000 0.499 385 W N 3.214 124.436 121.300 -0.130 0.000 2.825 385 W HA 0.078 4.742 4.660 0.007 0.000 0.243 385 W C 1.960 178.370 176.519 -0.181 0.000 1.293 385 W CA -0.274 56.995 57.345 -0.127 0.000 1.403 385 W CB 0.079 29.480 29.460 -0.098 0.000 1.134 385 W HN 0.426 nan 8.180 nan 0.000 0.666 386 L N -1.131 120.009 121.223 -0.138 0.000 2.209 386 L HA -0.056 4.290 4.340 0.009 0.000 0.207 386 L C 0.217 176.680 176.870 -0.678 0.000 1.094 386 L CA 1.123 55.721 54.840 -0.403 0.000 0.790 386 L CB -0.152 41.591 42.059 -0.527 0.000 0.932 386 L HN 0.035 nan 8.230 nan 0.000 0.447 387 H N -1.714 117.212 119.070 -0.240 0.000 2.616 387 H HA 0.148 4.709 4.556 0.008 0.000 0.229 387 H C -1.847 173.283 175.328 -0.331 0.000 1.418 387 H CA -1.142 54.734 56.048 -0.287 0.000 1.248 387 H CB 0.306 29.803 29.762 -0.441 0.000 1.822 387 H HN -0.012 nan 8.280 nan 0.000 0.522 388 P HA -0.124 nan 4.420 nan 0.000 0.230 388 P C 0.564 177.733 177.300 -0.218 0.000 1.158 388 P CA 1.096 63.996 63.100 -0.333 0.000 0.769 388 P CB 0.675 32.195 31.700 -0.299 0.000 0.807 389 E N -0.438 119.691 120.200 -0.119 0.000 2.526 389 E HA 0.055 4.411 4.350 0.009 0.000 0.208 389 E C -0.131 176.430 176.600 -0.066 0.000 0.997 389 E CA -0.112 56.243 56.400 -0.076 0.000 0.961 389 E CB 0.081 29.760 29.700 -0.034 0.000 1.030 389 E HN 0.269 nan 8.360 nan 0.000 0.483 390 D N 2.345 122.706 120.400 -0.065 0.000 2.358 390 D HA 0.019 4.664 4.640 0.009 0.000 0.258 390 D C -1.638 174.640 176.300 -0.037 0.000 1.223 390 D CA -1.710 52.276 54.000 -0.024 0.000 0.886 390 D CB 1.427 42.250 40.800 0.037 0.000 1.120 390 D HN -0.182 nan 8.370 nan 0.000 0.482 391 P HA -0.097 nan 4.420 nan 0.000 0.219 391 P C 1.064 178.296 177.300 -0.114 0.000 1.150 391 P CA 0.884 63.923 63.100 -0.100 0.000 0.814 391 P CB 0.234 31.866 31.700 -0.112 0.000 0.787 392 T N -1.538 112.963 114.554 -0.088 0.000 2.737 392 T HA -0.157 4.198 4.350 0.009 0.000 0.265 392 T C 1.664 176.300 174.700 -0.107 0.000 1.038 392 T CA 1.171 63.204 62.100 -0.112 0.000 1.144 392 T CB -1.001 67.794 68.868 -0.122 0.000 0.866 392 T HN 0.263 nan 8.240 nan 0.000 0.434 393 H N 0.883 119.880 119.070 -0.122 0.000 2.319 393 H HA 0.007 4.568 4.556 0.008 0.000 0.299 393 H C 2.386 177.606 175.328 -0.180 0.000 1.092 393 H CA 1.278 57.250 56.048 -0.127 0.000 1.302 393 H CB -0.358 29.317 29.762 -0.143 0.000 1.373 393 H HN 0.276 nan 8.280 nan 0.000 0.497 394 L N 0.205 121.356 121.223 -0.120 0.000 2.046 394 L HA -0.173 4.172 4.340 0.009 0.000 0.208 394 L C 2.910 179.710 176.870 -0.115 0.000 1.077 394 L CA 1.051 55.695 54.840 -0.326 0.000 0.747 394 L CB -0.376 41.503 42.059 -0.300 0.000 0.896 394 L HN 0.157 nan 8.230 nan 0.000 0.432 395 R N 0.383 120.857 120.500 -0.043 0.000 2.094 395 R HA -0.214 4.132 4.340 0.009 0.000 0.239 395 R C 1.878 178.292 176.300 0.190 0.000 1.137 395 R CA 2.285 58.433 56.100 0.079 0.000 0.943 395 R CB -0.284 29.927 30.300 -0.149 0.000 0.850 395 R HN 0.322 nan 8.270 nan 0.000 0.433 396 D N 0.073 120.532 120.400 0.098 0.000 2.144 396 D HA -0.111 4.535 4.640 0.009 0.000 0.199 396 D C 1.697 178.096 176.300 0.166 0.000 0.984 396 D CA 1.419 55.506 54.000 0.144 0.000 0.834 396 D CB -0.218 40.623 40.800 0.067 0.000 0.955 396 D HN 0.431 nan 8.370 nan 0.000 0.465 397 A N 0.548 123.437 122.820 0.115 0.000 1.930 397 A HA -0.137 4.188 4.320 0.009 0.000 0.217 397 A C 2.120 179.860 177.584 0.261 0.000 1.175 397 A CA 1.328 53.470 52.037 0.176 0.000 0.627 397 A CB -0.434 18.560 19.000 -0.010 0.000 0.815 397 A HN 0.126 nan 8.150 nan 0.000 0.443 398 M N 0.006 119.805 119.600 0.332 0.000 2.080 398 M HA -0.113 4.372 4.480 0.009 0.000 0.260 398 M C 2.317 178.703 176.300 0.143 0.000 1.068 398 M CA 2.170 57.678 55.300 0.347 0.000 1.109 398 M CB -0.658 32.186 32.600 0.407 0.000 1.342 398 M HN 0.402 nan 8.290 nan 0.000 0.405 399 S N -0.380 115.424 115.700 0.174 0.000 2.359 399 S HA -0.125 4.350 4.470 0.009 0.000 0.224 399 S C 2.056 176.746 174.600 0.149 0.000 1.035 399 S CA 1.688 59.993 58.200 0.175 0.000 1.018 399 S CB -0.662 62.703 63.200 0.276 0.000 0.876 399 S HN 0.634 nan 8.310 nan 0.000 0.448 400 A N 0.895 123.820 122.820 0.176 0.000 1.908 400 A HA -0.029 4.296 4.320 0.009 0.000 0.218 400 A C 2.365 180.002 177.584 0.087 0.000 1.181 400 A CA 1.862 54.025 52.037 0.209 0.000 0.627 400 A CB -1.209 18.014 19.000 0.371 0.000 0.818 400 A HN 0.460 nan 8.150 nan 0.000 0.445 401 V N -0.418 119.399 119.914 -0.162 0.000 2.252 401 V HA -0.285 3.841 4.120 0.009 0.000 0.249 401 V C 2.576 178.600 176.094 -0.116 0.000 1.056 401 V CA 2.305 64.423 62.300 -0.303 0.000 1.022 401 V CB -0.806 30.853 31.823 -0.273 0.000 0.641 401 V HN 0.393 nan 8.190 nan 0.000 0.445 402 V N 0.421 120.294 119.914 -0.068 0.000 2.379 402 V HA -0.101 4.025 4.120 0.009 0.000 0.245 402 V C 2.574 178.571 176.094 -0.161 0.000 1.044 402 V CA 1.959 64.205 62.300 -0.091 0.000 1.036 402 V CB -1.241 30.573 31.823 -0.014 0.000 0.664 402 V HN 0.616 nan 8.190 nan 0.000 0.453 403 G N -0.138 108.634 108.800 -0.045 0.000 2.421 403 G HA2 -0.243 3.722 3.960 0.009 0.000 0.216 403 G HA3 -0.243 3.722 3.960 0.009 0.000 0.216 403 G C 1.232 176.060 174.900 -0.120 0.000 1.171 403 G CA 1.072 46.154 45.100 -0.031 0.000 0.775 403 G HN 0.491 nan 8.290 nan 0.000 0.543 404 D N -0.247 120.099 120.400 -0.090 0.000 2.097 404 D HA -0.091 4.555 4.640 0.009 0.000 0.195 404 D C 2.112 178.087 176.300 -0.542 0.000 0.989 404 D CA 1.308 55.213 54.000 -0.159 0.000 0.827 404 D CB -0.525 40.345 40.800 0.116 0.000 0.966 404 D HN 0.391 nan 8.370 nan 0.000 0.456 405 H N 1.008 119.483 119.070 -0.992 0.000 2.319 405 H HA -0.009 4.552 4.556 0.008 0.000 0.299 405 H C 1.492 176.400 175.328 -0.700 0.000 1.092 405 H CA 1.796 57.060 56.048 -1.307 0.000 1.302 405 H CB -0.009 29.005 29.762 -1.247 0.000 1.373 405 H HN 0.015 nan 8.280 nan 0.000 0.497 406 N N -0.876 117.368 118.700 -0.760 0.000 2.409 406 N HA 0.004 4.749 4.740 0.009 0.000 0.174 406 N C 1.297 176.543 175.510 -0.440 0.000 1.037 406 N CA 1.083 53.625 53.050 -0.846 0.000 0.898 406 N CB 1.051 38.491 38.487 -1.746 0.000 1.010 406 N HN 0.278 nan 8.380 nan 0.000 0.445 407 V N -0.458 119.267 119.914 -0.315 0.000 3.278 407 V HA 0.060 4.186 4.120 0.009 0.000 0.215 407 V C 2.178 178.226 176.094 -0.077 0.000 1.287 407 V CA 0.197 62.449 62.300 -0.079 0.000 1.302 407 V CB -0.120 31.731 31.823 0.047 0.000 1.228 407 V HN -0.175 nan 8.190 nan 0.000 0.523 408 V N 0.109 119.977 119.914 -0.077 0.000 2.295 408 V HA -0.288 3.837 4.120 0.009 0.000 0.246 408 V C 2.491 178.543 176.094 -0.070 0.000 1.049 408 V CA 2.615 64.885 62.300 -0.049 0.000 1.024 408 V CB -0.749 31.076 31.823 0.003 0.000 0.648 408 V HN 0.667 nan 8.190 nan 0.000 0.447 409 c N -0.590 117.952 118.600 -0.096 0.000 2.475 409 c HA 0.035 4.610 4.570 0.009 0.000 0.279 409 c C 0.546 174.596 174.090 -0.067 0.000 1.322 409 c CA 0.679 56.982 56.329 -0.045 0.000 1.734 409 c CB -1.724 40.788 42.510 0.005 0.000 2.005 409 c HN 0.453 nan 8.230 nan 0.000 0.495 410 P HA -0.098 nan 4.420 nan 0.000 0.216 410 P C 1.756 178.988 177.300 -0.112 0.000 1.153 410 P CA 1.467 64.489 63.100 -0.129 0.000 0.858 410 P CB -0.143 31.451 31.700 -0.177 0.000 0.789 411 V N 0.012 119.861 119.914 -0.107 0.000 2.307 411 V HA -0.250 3.876 4.120 0.009 0.000 0.245 411 V C 2.467 178.462 176.094 -0.165 0.000 1.045 411 V CA 2.205 64.427 62.300 -0.129 0.000 1.024 411 V CB -1.725 30.022 31.823 -0.127 0.000 0.651 411 V HN 0.097 nan 8.190 nan 0.000 0.449 412 A N -0.345 122.392 122.820 -0.139 0.000 1.892 412 A HA -0.375 3.950 4.320 0.009 0.000 0.218 412 A C 2.203 179.742 177.584 -0.074 0.000 1.188 412 A CA 2.612 54.576 52.037 -0.121 0.000 0.631 412 A CB -0.652 18.327 19.000 -0.035 0.000 0.822 412 A HN 0.599 nan 8.150 nan 0.000 0.447 413 Q N -0.887 118.886 119.800 -0.047 0.000 2.050 413 Q HA -0.157 4.189 4.340 0.009 0.000 0.202 413 Q C 1.915 177.885 176.000 -0.051 0.000 0.980 413 Q CA 1.864 57.653 55.803 -0.024 0.000 0.840 413 Q CB -0.426 28.297 28.738 -0.025 0.000 0.898 413 Q HN 0.518 nan 8.270 nan 0.000 0.424 414 L N 0.284 121.451 121.223 -0.094 0.000 1.989 414 L HA -0.114 4.231 4.340 0.009 0.000 0.211 414 L C 2.208 178.997 176.870 -0.134 0.000 1.071 414 L CA 2.394 57.162 54.840 -0.119 0.000 0.749 414 L CB -1.125 40.850 42.059 -0.139 0.000 0.890 414 L HN 0.315 nan 8.230 nan 0.000 0.431 415 A N -0.726 121.979 122.820 -0.191 0.000 1.940 415 A HA -0.109 4.217 4.320 0.009 0.000 0.219 415 A C 2.322 179.881 177.584 -0.042 0.000 1.176 415 A CA 1.692 53.568 52.037 -0.268 0.000 0.631 415 A CB -1.572 17.016 19.000 -0.685 0.000 0.814 415 A HN 0.558 nan 8.150 nan 0.000 0.446 416 G N -0.784 108.049 108.800 0.055 0.000 2.404 416 G HA2 -0.171 3.794 3.960 0.009 0.000 0.215 416 G HA3 -0.171 3.794 3.960 0.009 0.000 0.215 416 G C 1.682 176.652 174.900 0.118 0.000 1.174 416 G CA 0.695 45.918 45.100 0.205 0.000 0.780 416 G HN 0.391 nan 8.290 nan 0.000 0.537 417 R N -0.198 120.335 120.500 0.056 0.000 2.075 417 R HA 0.088 4.433 4.340 0.009 0.000 0.232 417 R C 2.511 178.853 176.300 0.070 0.000 1.126 417 R CA 0.373 56.510 56.100 0.062 0.000 0.963 417 R CB -1.274 29.051 30.300 0.042 0.000 0.858 417 R HN 0.295 nan 8.270 nan 0.000 0.435 418 L N 0.800 122.010 121.223 -0.023 0.000 1.989 418 L HA -0.100 4.246 4.340 0.009 0.000 0.211 418 L C 2.434 179.341 176.870 0.063 0.000 1.071 418 L CA 2.095 56.887 54.840 -0.080 0.000 0.749 418 L CB -1.335 40.597 42.059 -0.211 0.000 0.890 418 L HN 0.171 nan 8.230 nan 0.000 0.431 419 A N -1.026 121.845 122.820 0.086 0.000 1.933 419 A HA -0.112 4.214 4.320 0.009 0.000 0.218 419 A C 2.427 180.068 177.584 0.096 0.000 1.175 419 A CA 1.680 53.782 52.037 0.108 0.000 0.628 419 A CB -0.846 18.258 19.000 0.174 0.000 0.814 419 A HN 0.406 nan 8.150 nan 0.000 0.444 420 A N -1.138 121.743 122.820 0.102 0.000 2.015 420 A HA -0.107 4.218 4.320 0.009 0.000 0.219 420 A C 1.825 179.466 177.584 0.095 0.000 1.163 420 A CA 1.538 53.626 52.037 0.085 0.000 0.646 420 A CB -0.278 18.770 19.000 0.081 0.000 0.806 420 A HN 0.601 nan 8.150 nan 0.000 0.448 421 Q N -1.826 118.061 119.800 0.146 0.000 2.189 421 Q HA 0.396 4.741 4.340 0.009 0.000 0.221 421 Q C 0.802 176.908 176.000 0.178 0.000 0.848 421 Q CA 0.430 56.334 55.803 0.170 0.000 1.007 421 Q CB 0.617 29.512 28.738 0.262 0.000 1.116 421 Q HN 0.758 nan 8.270 nan 0.000 0.481 422 G N -0.476 108.406 108.800 0.137 0.000 2.231 422 G HA2 -0.215 3.750 3.960 0.009 0.000 0.206 422 G HA3 -0.215 3.750 3.960 0.009 0.000 0.206 422 G C 0.286 175.253 174.900 0.112 0.000 0.996 422 G CA -0.286 44.877 45.100 0.105 0.000 0.645 422 G HN 0.499 nan 8.290 nan 0.000 0.498 423 A N 0.119 123.023 122.820 0.140 0.000 2.386 423 A HA 0.728 5.053 4.320 0.009 0.000 0.248 423 A C 0.619 178.235 177.584 0.053 0.000 1.082 423 A CA 0.555 52.657 52.037 0.108 0.000 0.789 423 A CB 0.334 19.381 19.000 0.077 0.000 1.025 423 A HN 0.809 nan 8.150 nan 0.000 0.490 424 R N 1.420 121.946 120.500 0.043 0.000 2.202 424 R HA 0.502 4.848 4.340 0.009 0.000 0.334 424 R C -1.474 174.798 176.300 -0.047 0.000 1.036 424 R CA -0.102 55.984 56.100 -0.024 0.000 0.878 424 R CB 0.437 30.746 30.300 0.015 0.000 1.067 424 R HN 0.451 nan 8.270 nan 0.000 0.457 425 V N 5.816 125.638 119.914 -0.154 0.000 2.604 425 V HA 0.406 4.531 4.120 0.009 0.000 0.305 425 V C -1.094 174.828 176.094 -0.288 0.000 1.043 425 V CA -0.749 61.486 62.300 -0.108 0.000 0.888 425 V CB 1.577 33.401 31.823 0.002 0.000 0.995 425 V HN 0.666 nan 8.190 nan 0.000 0.429 426 Y N 2.199 122.452 120.300 -0.079 0.000 2.393 426 Y HA 0.788 5.343 4.550 0.007 0.000 0.341 426 Y C 0.309 176.277 175.900 0.114 0.000 0.988 426 Y CA -0.564 57.466 58.100 -0.116 0.000 1.078 426 Y CB 2.224 40.239 38.460 -0.740 0.000 1.203 426 Y HN 0.747 nan 8.280 nan 0.000 0.453 427 A N 3.331 126.537 122.820 0.643 0.000 2.386 427 A HA 0.831 5.156 4.320 0.009 0.000 0.311 427 A C -1.828 176.154 177.584 0.662 0.000 1.068 427 A CA -0.698 51.602 52.037 0.437 0.000 0.743 427 A CB 0.858 19.940 19.000 0.136 0.000 1.258 427 A HN 0.747 nan 8.150 nan 0.000 0.429 428 Y N -0.100 120.450 120.300 0.416 0.000 2.609 428 Y HA 0.812 5.366 4.550 0.007 0.000 0.342 428 Y C -1.005 175.076 175.900 0.301 0.000 1.058 428 Y CA -1.630 56.658 58.100 0.313 0.000 1.055 428 Y CB 1.415 40.035 38.460 0.267 0.000 1.292 428 Y HN 0.670 nan 8.280 nan 0.000 0.476 429 I N 3.190 124.059 120.570 0.498 0.000 2.436 429 I HA 0.439 4.614 4.170 0.009 0.000 0.289 429 I C -1.794 174.656 176.117 0.555 0.000 1.010 429 I CA -1.041 60.523 61.300 0.440 0.000 1.098 429 I CB 1.098 39.302 38.000 0.340 0.000 1.266 429 I HN 0.753 nan 8.210 nan 0.000 0.434 430 F N 7.375 127.614 119.950 0.481 0.000 2.405 430 F HA 0.389 4.922 4.527 0.010 0.000 0.355 430 F C 0.515 176.474 175.800 0.266 0.000 1.121 430 F CA 0.058 58.284 58.000 0.377 0.000 1.112 430 F CB 0.865 40.109 39.000 0.407 0.000 1.126 430 F HN 0.539 nan 8.300 nan 0.000 0.481 431 E N 3.140 123.233 120.200 -0.178 0.000 2.630 431 E HA -0.014 4.342 4.350 0.009 0.000 0.218 431 E C -0.826 175.654 176.600 -0.200 0.000 0.977 431 E CA -0.184 56.169 56.400 -0.077 0.000 1.038 431 E CB 0.304 29.984 29.700 -0.035 0.000 1.051 431 E HN 0.534 nan 8.360 nan 0.000 0.487 432 H N 1.511 120.218 119.070 -0.605 0.000 2.562 432 H HA 0.242 4.802 4.556 0.008 0.000 0.314 432 H C -0.393 174.902 175.328 -0.056 0.000 1.079 432 H CA -0.447 55.335 56.048 -0.444 0.000 1.349 432 H CB 0.573 29.867 29.762 -0.779 0.000 1.432 432 H HN -0.149 nan 8.280 nan 0.000 0.479 433 R N 4.165 124.298 120.500 -0.612 0.000 2.216 433 R HA 0.436 4.782 4.340 0.009 0.000 0.332 433 R C -0.494 175.564 176.300 -0.404 0.000 1.056 433 R CA -0.542 55.375 56.100 -0.305 0.000 0.901 433 R CB 0.223 30.420 30.300 -0.171 0.000 1.039 433 R HN 0.833 nan 8.270 nan 0.000 0.456 434 A N 3.205 126.120 122.820 0.159 0.000 2.567 434 A HA -0.040 4.286 4.320 0.009 0.000 0.240 434 A C 1.375 179.084 177.584 0.208 0.000 1.053 434 A CA 0.666 52.993 52.037 0.484 0.000 0.755 434 A CB 0.231 19.611 19.000 0.635 0.000 0.978 434 A HN 1.023 nan 8.150 nan 0.000 0.507 435 S N 1.537 117.393 115.700 0.261 0.000 2.442 435 S HA -0.152 4.324 4.470 0.009 0.000 0.236 435 S C 1.257 175.862 174.600 0.008 0.000 1.007 435 S CA 1.607 59.875 58.200 0.114 0.000 0.965 435 S CB -0.703 62.587 63.200 0.150 0.000 0.773 435 S HN 1.313 nan 8.310 nan 0.000 0.504 436 T N -0.972 113.552 114.554 -0.049 0.000 3.145 436 T HA 0.396 4.751 4.350 0.009 0.000 0.255 436 T C 0.260 174.899 174.700 -0.101 0.000 1.039 436 T CA -0.642 61.366 62.100 -0.152 0.000 0.928 436 T CB -0.280 68.364 68.868 -0.373 0.000 1.029 436 T HN 0.207 nan 8.240 nan 0.000 0.554 437 L N 4.266 125.473 121.223 -0.027 0.000 2.455 437 L HA 0.307 4.652 4.340 0.009 0.000 0.272 437 L C 1.476 178.303 176.870 -0.072 0.000 1.174 437 L CA 0.605 55.423 54.840 -0.036 0.000 0.869 437 L CB 0.756 42.802 42.059 -0.022 0.000 1.130 437 L HN 0.462 nan 8.230 nan 0.000 0.474 438 T N -0.112 114.355 114.554 -0.145 0.000 3.044 438 T HA 0.072 4.428 4.350 0.009 0.000 0.250 438 T C 0.476 175.176 174.700 0.000 0.000 1.081 438 T CA -0.411 61.598 62.100 -0.151 0.000 1.040 438 T CB -0.302 68.335 68.868 -0.386 0.000 0.962 438 T HN 0.416 nan 8.240 nan 0.000 0.506 439 W N 3.429 124.741 121.300 0.020 0.000 2.150 439 W HA 0.389 5.055 4.660 0.010 0.000 0.341 439 W C -1.956 174.472 176.519 -0.151 0.000 1.276 439 W CA -2.205 55.132 57.345 -0.013 0.000 1.238 439 W CB 0.182 29.553 29.460 -0.149 0.000 1.128 439 W HN -0.013 nan 8.180 nan 0.000 0.581 440 P HA 0.005 nan 4.420 nan 0.000 0.272 440 P C 0.470 177.681 177.300 -0.148 0.000 1.240 440 P CA 0.072 63.120 63.100 -0.087 0.000 0.791 440 P CB 0.857 32.477 31.700 -0.132 0.000 0.978 441 L N 0.305 121.507 121.223 -0.035 0.000 2.131 441 L HA -0.119 4.226 4.340 0.009 0.000 0.210 441 L C 2.609 179.501 176.870 0.036 0.000 1.092 441 L CA 1.289 56.130 54.840 0.002 0.000 0.759 441 L CB -0.917 41.171 42.059 0.049 0.000 0.903 441 L HN 0.604 nan 8.230 nan 0.000 0.435 442 W N -0.293 121.039 121.300 0.054 0.000 2.364 442 W HA -0.186 4.478 4.660 0.008 0.000 0.281 442 W C 1.694 178.261 176.519 0.079 0.000 1.219 442 W CA 0.597 57.976 57.345 0.058 0.000 1.220 442 W CB -0.784 28.710 29.460 0.057 0.000 1.127 442 W HN 0.188 nan 8.180 nan 0.000 0.556 443 M N 1.378 120.671 119.600 -0.511 0.000 2.619 443 M HA 0.122 4.608 4.480 0.009 0.000 0.251 443 M C 1.794 178.022 176.300 -0.120 0.000 1.106 443 M CA 1.412 56.411 55.300 -0.501 0.000 1.086 443 M CB -0.655 31.478 32.600 -0.779 0.000 1.465 443 M HN 0.210 nan 8.290 nan 0.000 0.506 444 G N 0.679 109.457 108.800 -0.036 0.000 2.591 444 G HA2 -0.293 3.673 3.960 0.009 0.000 0.298 444 G HA3 -0.293 3.673 3.960 0.009 0.000 0.298 444 G C -0.118 174.802 174.900 0.033 0.000 1.195 444 G CA -0.114 45.004 45.100 0.030 0.000 0.989 444 G HN 0.235 nan 8.290 nan 0.000 0.551 445 V N 3.659 123.636 119.914 0.105 0.000 2.259 445 V HA 0.461 4.587 4.120 0.009 0.000 0.267 445 V C -1.826 174.408 176.094 0.233 0.000 1.051 445 V CA -0.783 61.632 62.300 0.191 0.000 0.830 445 V CB 1.071 33.056 31.823 0.270 0.000 1.080 445 V HN 0.517 nan 8.190 nan 0.000 0.467 446 P HA 0.183 nan 4.420 nan 0.000 0.276 446 P C -0.228 177.301 177.300 0.382 0.000 1.252 446 P CA -0.546 62.689 63.100 0.226 0.000 0.802 446 P CB 0.383 32.107 31.700 0.041 0.000 1.035 447 H N 0.734 119.895 119.070 0.150 0.000 3.192 447 H HA 0.221 4.782 4.556 0.008 0.000 0.295 447 H C 1.532 176.788 175.328 -0.119 0.000 0.943 447 H CA 2.384 58.452 56.048 0.034 0.000 1.416 447 H CB -0.815 28.933 29.762 -0.025 0.000 1.434 447 H HN 0.738 nan 8.280 nan 0.000 0.565 448 G N 3.537 112.141 108.800 -0.325 0.000 2.213 448 G HA2 -0.294 3.672 3.960 0.009 0.000 0.226 448 G HA3 -0.294 3.672 3.960 0.009 0.000 0.226 448 G C 0.546 175.319 174.900 -0.212 0.000 0.992 448 G CA 0.266 45.107 45.100 -0.433 0.000 0.632 448 G HN 0.625 nan 8.290 nan 0.000 0.511 449 Y N 1.566 121.965 120.300 0.165 0.000 2.493 449 Y HA 0.260 4.815 4.550 0.008 0.000 0.275 449 Y C 2.281 178.317 175.900 0.226 0.000 1.183 449 Y CA 0.824 59.091 58.100 0.277 0.000 1.258 449 Y CB 0.471 39.133 38.460 0.336 0.000 1.108 449 Y HN 0.482 nan 8.280 nan 0.000 0.521 450 E N 0.260 120.422 120.200 -0.065 0.000 2.276 450 E HA -0.063 4.293 4.350 0.009 0.000 0.193 450 E C 1.623 178.111 176.600 -0.187 0.000 0.983 450 E CA 0.703 56.723 56.400 -0.633 0.000 0.861 450 E CB -0.351 28.611 29.700 -1.230 0.000 0.817 450 E HN 0.534 nan 8.360 nan 0.000 0.485 451 I N 2.920 123.469 120.570 -0.034 0.000 2.127 451 I HA -0.309 3.866 4.170 0.009 0.000 0.241 451 I C 2.747 178.861 176.117 -0.006 0.000 1.075 451 I CA 2.156 63.480 61.300 0.040 0.000 1.334 451 I CB -0.535 37.552 38.000 0.145 0.000 1.040 451 I HN 0.221 nan 8.210 nan 0.000 0.405 452 E N 1.071 121.213 120.200 -0.097 0.000 2.219 452 E HA -0.249 4.106 4.350 0.009 0.000 0.198 452 E C 2.005 178.345 176.600 -0.433 0.000 0.998 452 E CA 1.578 57.814 56.400 -0.274 0.000 0.818 452 E CB -0.531 28.990 29.700 -0.297 0.000 0.741 452 E HN 0.469 nan 8.360 nan 0.000 0.477 453 F N 1.136 120.977 119.950 -0.182 0.000 2.270 453 F HA 0.009 4.543 4.527 0.012 0.000 0.295 453 F C 2.335 177.908 175.800 -0.379 0.000 1.087 453 F CA 0.437 58.272 58.000 -0.276 0.000 1.365 453 F CB -0.065 38.848 39.000 -0.145 0.000 1.056 453 F HN -0.027 nan 8.300 nan 0.000 0.506 454 I N -0.879 119.541 120.570 -0.251 0.000 2.286 454 I HA -0.267 3.908 4.170 0.009 0.000 0.248 454 I C 2.024 177.912 176.117 -0.381 0.000 1.115 454 I CA 1.667 62.663 61.300 -0.507 0.000 1.392 454 I CB -1.346 36.235 38.000 -0.697 0.000 1.065 454 I HN 0.092 nan 8.210 nan 0.000 0.418 455 F N 0.990 120.754 119.950 -0.310 0.000 2.780 455 F HA 0.194 4.727 4.527 0.009 0.000 0.299 455 F C 1.864 177.514 175.800 -0.251 0.000 1.146 455 F CA 0.854 58.712 58.000 -0.237 0.000 1.428 455 F CB -0.238 38.608 39.000 -0.256 0.000 1.115 455 F HN 0.292 nan 8.300 nan 0.000 0.583 456 G N -0.037 108.599 108.800 -0.274 0.000 2.137 456 G HA2 -0.291 3.675 3.960 0.009 0.000 0.237 456 G HA3 -0.291 3.675 3.960 0.009 0.000 0.237 456 G C 0.949 175.222 174.900 -1.046 0.000 1.002 456 G CA 0.289 45.100 45.100 -0.482 0.000 0.702 456 G HN 0.280 nan 8.290 nan 0.000 0.515 457 L N 0.484 121.118 121.223 -0.982 0.000 2.079 457 L HA 0.020 4.365 4.340 0.009 0.000 0.210 457 L C 0.460 176.790 176.870 -0.900 0.000 1.081 457 L CA 2.786 56.987 54.840 -1.064 0.000 0.752 457 L CB -1.046 40.677 42.059 -0.561 0.000 0.896 457 L HN 0.211 nan 8.230 nan 0.000 0.433 458 P HA -0.161 nan 4.420 nan 0.000 0.222 458 P C 1.584 178.665 177.300 -0.366 0.000 1.142 458 P CA 0.897 63.499 63.100 -0.830 0.000 0.788 458 P CB 0.020 31.202 31.700 -0.863 0.000 0.767 459 L N -1.261 119.697 121.223 -0.441 0.000 2.362 459 L HA -0.043 4.302 4.340 0.009 0.000 0.219 459 L C 0.918 177.740 176.870 -0.080 0.000 1.134 459 L CA 1.206 55.915 54.840 -0.219 0.000 0.807 459 L CB -1.102 40.857 42.059 -0.167 0.000 0.927 459 L HN -0.043 nan 8.230 nan 0.000 0.447 460 D N -0.454 119.876 120.400 -0.117 0.000 2.347 460 D HA 0.127 4.773 4.640 0.009 0.000 0.235 460 D C -1.703 174.625 176.300 0.047 0.000 1.149 460 D CA -2.217 51.820 54.000 0.062 0.000 0.850 460 D CB 1.585 42.470 40.800 0.143 0.000 1.061 460 D HN -0.061 nan 8.370 nan 0.000 0.487 461 P HA -0.117 nan 4.420 nan 0.000 0.220 461 P C 1.283 178.604 177.300 0.034 0.000 1.148 461 P CA 0.824 63.950 63.100 0.042 0.000 0.803 461 P CB 0.085 31.804 31.700 0.032 0.000 0.782 462 S N -0.777 114.941 115.700 0.031 0.000 2.469 462 S HA -0.071 4.404 4.470 0.009 0.000 0.238 462 S C 1.640 176.235 174.600 -0.008 0.000 0.998 462 S CA 0.811 59.017 58.200 0.010 0.000 0.957 462 S CB -1.426 61.780 63.200 0.010 0.000 0.764 462 S HN 0.126 nan 8.310 nan 0.000 0.514 463 L N 0.589 121.819 121.223 0.013 0.000 2.591 463 L HA 0.210 4.555 4.340 0.009 0.000 0.228 463 L C 0.314 177.108 176.870 -0.127 0.000 1.133 463 L CA -0.029 54.791 54.840 -0.033 0.000 0.880 463 L CB -0.715 41.390 42.059 0.077 0.000 1.033 463 L HN 0.229 nan 8.230 nan 0.000 0.450 464 N N -1.795 116.877 118.700 -0.047 0.000 2.829 464 N HA -0.222 4.524 4.740 0.009 0.000 0.250 464 N C -0.302 175.154 175.510 -0.090 0.000 1.090 464 N CA 0.825 53.830 53.050 -0.075 0.000 0.781 464 N CB -1.796 36.620 38.487 -0.119 0.000 1.124 464 N HN 0.312 nan 8.380 nan 0.000 0.559 465 Y N 1.060 121.348 120.300 -0.021 0.000 2.296 465 Y HA 0.178 4.733 4.550 0.009 0.000 0.343 465 Y C 2.048 177.970 175.900 0.038 0.000 1.292 465 Y CA 0.412 58.525 58.100 0.022 0.000 1.490 465 Y CB 0.357 38.821 38.460 0.005 0.000 1.359 465 Y HN 0.085 nan 8.280 nan 0.000 0.599 466 T N -3.234 111.471 114.554 0.251 0.000 2.816 466 T HA 0.086 4.441 4.350 0.009 0.000 0.282 466 T C 1.078 175.854 174.700 0.128 0.000 0.993 466 T CA -0.371 61.819 62.100 0.150 0.000 0.994 466 T CB 0.940 69.887 68.868 0.132 0.000 1.025 466 T HN 0.687 nan 8.240 nan 0.000 0.529 467 T N 1.148 115.749 114.554 0.078 0.000 2.746 467 T HA -0.092 4.264 4.350 0.009 0.000 0.267 467 T C 1.781 176.512 174.700 0.051 0.000 1.039 467 T CA 1.927 64.059 62.100 0.054 0.000 1.142 467 T CB -0.439 68.450 68.868 0.035 0.000 0.866 467 T HN 0.782 nan 8.240 nan 0.000 0.444 468 E N 1.160 121.387 120.200 0.046 0.000 2.106 468 E HA -0.086 4.270 4.350 0.009 0.000 0.192 468 E C 2.225 178.853 176.600 0.047 0.000 0.984 468 E CA 0.907 57.318 56.400 0.018 0.000 0.806 468 E CB -0.158 29.529 29.700 -0.023 0.000 0.750 468 E HN 0.561 nan 8.360 nan 0.000 0.458 469 E N 0.448 120.715 120.200 0.111 0.000 2.106 469 E HA -0.147 4.209 4.350 0.009 0.000 0.192 469 E C 2.133 178.850 176.600 0.195 0.000 0.984 469 E CA 0.435 56.981 56.400 0.244 0.000 0.806 469 E CB -0.005 29.957 29.700 0.436 0.000 0.750 469 E HN 0.065 nan 8.360 nan 0.000 0.458 470 R N 0.943 121.494 120.500 0.085 0.000 2.080 470 R HA -0.162 4.183 4.340 0.009 0.000 0.236 470 R C 2.187 178.493 176.300 0.010 0.000 1.137 470 R CA 1.155 57.255 56.100 -0.000 0.000 0.943 470 R CB -0.265 30.035 30.300 -0.001 0.000 0.846 470 R HN 0.177 nan 8.270 nan 0.000 0.431 471 I N 0.570 121.164 120.570 0.040 0.000 2.286 471 I HA -0.274 3.901 4.170 0.009 0.000 0.248 471 I C 2.330 178.489 176.117 0.071 0.000 1.115 471 I CA 0.979 62.300 61.300 0.035 0.000 1.392 471 I CB -1.238 36.782 38.000 0.032 0.000 1.065 471 I HN 0.102 nan 8.210 nan 0.000 0.418 472 F N 2.223 122.129 119.950 -0.072 0.000 2.102 472 F HA -0.162 4.370 4.527 0.008 0.000 0.298 472 F C 2.537 178.317 175.800 -0.033 0.000 1.105 472 F CA 1.388 59.333 58.000 -0.091 0.000 1.239 472 F CB -0.669 38.213 39.000 -0.197 0.000 0.991 472 F HN 0.043 nan 8.300 nan 0.000 0.474 473 A N 0.148 122.912 122.820 -0.094 0.000 1.892 473 A HA -0.286 4.039 4.320 0.009 0.000 0.218 473 A C 2.176 179.632 177.584 -0.213 0.000 1.188 473 A CA 2.068 53.988 52.037 -0.196 0.000 0.631 473 A CB -1.035 17.860 19.000 -0.176 0.000 0.822 473 A HN 0.624 nan 8.150 nan 0.000 0.447 474 Q N -0.969 118.746 119.800 -0.142 0.000 2.096 474 Q HA -0.195 4.151 4.340 0.009 0.000 0.204 474 Q C 2.399 178.299 176.000 -0.166 0.000 0.982 474 Q CA 1.628 57.356 55.803 -0.125 0.000 0.850 474 Q CB -0.186 28.506 28.738 -0.077 0.000 0.901 474 Q HN 0.639 nan 8.270 nan 0.000 0.422 475 R N 0.234 120.617 120.500 -0.195 0.000 2.073 475 R HA -0.114 4.232 4.340 0.009 0.000 0.234 475 R C 2.342 178.376 176.300 -0.443 0.000 1.134 475 R CA 1.144 57.041 56.100 -0.340 0.000 0.952 475 R CB -0.296 29.856 30.300 -0.247 0.000 0.850 475 R HN 0.236 nan 8.270 nan 0.000 0.433 476 L N 0.099 121.148 121.223 -0.289 0.000 2.017 476 L HA -0.201 4.145 4.340 0.009 0.000 0.208 476 L C 2.547 179.385 176.870 -0.054 0.000 1.073 476 L CA 1.438 56.201 54.840 -0.129 0.000 0.745 476 L CB -0.372 41.441 42.059 -0.411 0.000 0.894 476 L HN 0.244 nan 8.230 nan 0.000 0.432 477 M N -0.804 118.697 119.600 -0.165 0.000 2.149 477 M HA -0.211 4.275 4.480 0.009 0.000 0.261 477 M C 2.298 178.599 176.300 0.001 0.000 1.064 477 M CA 1.553 56.791 55.300 -0.103 0.000 1.102 477 M CB -0.342 32.181 32.600 -0.129 0.000 1.369 477 M HN 0.096 nan 8.290 nan 0.000 0.408 478 K N -0.135 120.233 120.400 -0.054 0.000 2.025 478 K HA -0.126 4.199 4.320 0.009 0.000 0.207 478 K C 1.915 178.574 176.600 0.098 0.000 1.049 478 K CA 1.631 57.895 56.287 -0.037 0.000 0.933 478 K CB -0.492 31.919 32.500 -0.149 0.000 0.714 478 K HN 0.311 nan 8.250 nan 0.000 0.438 479 Y N -0.079 120.345 120.300 0.208 0.000 2.114 479 Y HA -0.248 4.309 4.550 0.012 0.000 0.282 479 Y C 2.419 178.456 175.900 0.229 0.000 1.165 479 Y CA 0.835 59.098 58.100 0.271 0.000 1.148 479 Y CB -0.829 37.939 38.460 0.514 0.000 0.972 479 Y HN 0.246 nan 8.280 nan 0.000 0.504 480 W N 0.455 121.828 121.300 0.122 0.000 2.381 480 W HA -0.195 4.470 4.660 0.008 0.000 0.301 480 W C 2.420 178.935 176.519 -0.007 0.000 1.205 480 W CA 2.078 59.427 57.345 0.007 0.000 1.285 480 W CB -0.464 28.921 29.460 -0.125 0.000 1.133 480 W HN 0.242 nan 8.180 nan 0.000 0.521 481 T N -2.376 112.282 114.554 0.172 0.000 2.942 481 T HA -0.112 4.244 4.350 0.009 0.000 0.265 481 T C 1.432 176.158 174.700 0.044 0.000 1.062 481 T CA 0.991 63.127 62.100 0.060 0.000 1.139 481 T CB -0.593 68.289 68.868 0.024 0.000 0.883 481 T HN -0.090 nan 8.240 nan 0.000 0.468 482 N N 0.996 119.739 118.700 0.071 0.000 2.120 482 N HA -0.017 4.728 4.740 0.009 0.000 0.188 482 N C 1.395 176.901 175.510 -0.007 0.000 1.024 482 N CA 1.042 54.113 53.050 0.036 0.000 0.852 482 N CB -0.648 37.880 38.487 0.068 0.000 1.003 482 N HN 0.467 nan 8.380 nan 0.000 0.424 483 F N 1.796 121.660 119.950 -0.144 0.000 2.102 483 F HA -0.090 4.443 4.527 0.009 0.000 0.298 483 F C 2.224 177.942 175.800 -0.136 0.000 1.105 483 F CA 1.354 59.221 58.000 -0.222 0.000 1.239 483 F CB -0.538 38.239 39.000 -0.372 0.000 0.991 483 F HN 0.033 nan 8.300 nan 0.000 0.474 484 A N 0.802 123.562 122.820 -0.100 0.000 1.892 484 A HA -0.260 4.066 4.320 0.009 0.000 0.218 484 A C 2.335 179.816 177.584 -0.172 0.000 1.188 484 A CA 2.194 54.150 52.037 -0.136 0.000 0.631 484 A CB -0.835 18.145 19.000 -0.033 0.000 0.822 484 A HN 0.503 nan 8.150 nan 0.000 0.447 485 R N -1.313 119.113 120.500 -0.122 0.000 2.075 485 R HA -0.065 4.280 4.340 0.009 0.000 0.232 485 R C 1.992 178.210 176.300 -0.138 0.000 1.126 485 R CA 1.861 57.900 56.100 -0.102 0.000 0.963 485 R CB -0.270 29.995 30.300 -0.058 0.000 0.858 485 R HN 0.751 nan 8.270 nan 0.000 0.435 486 T N -5.672 108.772 114.554 -0.183 0.000 2.986 486 T HA 0.251 4.606 4.350 0.009 0.000 0.264 486 T C 1.190 175.759 174.700 -0.220 0.000 0.964 486 T CA 0.309 62.315 62.100 -0.158 0.000 0.895 486 T CB 1.314 70.126 68.868 -0.093 0.000 1.163 486 T HN 0.321 nan 8.240 nan 0.000 0.517 487 G N 1.426 109.962 108.800 -0.440 0.000 2.143 487 G HA2 -0.157 3.809 3.960 0.009 0.000 0.248 487 G HA3 -0.157 3.809 3.960 0.009 0.000 0.248 487 G C -0.375 174.428 174.900 -0.160 0.000 0.991 487 G CA 0.216 44.987 45.100 -0.548 0.000 0.689 487 G HN 0.835 nan 8.290 nan 0.000 0.522 488 D N -0.825 119.481 120.400 -0.158 0.000 2.763 488 D HA 0.439 5.085 4.640 0.009 0.000 0.235 488 D C -1.333 174.822 176.300 -0.243 0.000 1.334 488 D CA -1.579 52.297 54.000 -0.207 0.000 0.950 488 D CB 1.990 42.759 40.800 -0.051 0.000 1.433 488 D HN -0.011 nan 8.370 nan 0.000 0.580 489 P HA -0.042 nan 4.420 nan 0.000 0.229 489 P C 0.019 177.358 177.300 0.064 0.000 1.160 489 P CA 0.127 63.086 63.100 -0.236 0.000 0.777 489 P CB 0.368 31.663 31.700 -0.674 0.000 0.814 490 N N 1.541 120.244 118.700 0.004 0.000 2.508 490 N HA 0.010 4.756 4.740 0.009 0.000 0.264 490 N C 0.117 175.698 175.510 0.117 0.000 1.216 490 N CA 0.390 53.528 53.050 0.147 0.000 0.943 490 N CB 0.524 39.085 38.487 0.123 0.000 1.113 490 N HN 0.062 nan 8.380 nan 0.000 0.447 491 D N 1.988 122.470 120.400 0.136 0.000 2.343 491 D HA 0.080 4.725 4.640 0.009 0.000 0.255 491 D C -1.279 175.061 176.300 0.067 0.000 1.187 491 D CA -1.410 52.640 54.000 0.084 0.000 0.875 491 D CB 1.384 42.227 40.800 0.071 0.000 1.136 491 D HN 0.302 nan 8.370 nan 0.000 0.469 492 P HA -0.105 nan 4.420 nan 0.000 0.222 492 P C 1.274 178.597 177.300 0.038 0.000 1.147 492 P CA 0.663 63.787 63.100 0.040 0.000 0.790 492 P CB 0.552 32.268 31.700 0.026 0.000 0.780 493 R N 0.849 121.370 120.500 0.036 0.000 2.060 493 R HA -0.056 4.290 4.340 0.009 0.000 0.225 493 R C 0.739 177.063 176.300 0.040 0.000 1.155 493 R CA 1.059 57.178 56.100 0.033 0.000 0.930 493 R CB -0.955 29.360 30.300 0.026 0.000 0.829 493 R HN -0.104 nan 8.270 nan 0.000 0.433 494 D N 0.784 121.212 120.400 0.046 0.000 2.429 494 D HA -0.033 4.613 4.640 0.009 0.000 0.253 494 D C 0.455 176.793 176.300 0.063 0.000 1.294 494 D CA 0.232 54.263 54.000 0.051 0.000 1.063 494 D CB 0.818 41.650 40.800 0.053 0.000 1.096 494 D HN 0.402 nan 8.370 nan 0.000 0.516 495 S N 2.027 117.760 115.700 0.055 0.000 2.496 495 S HA -0.083 4.393 4.470 0.009 0.000 0.224 495 S C 2.090 176.725 174.600 0.058 0.000 0.996 495 S CA 0.695 58.930 58.200 0.059 0.000 0.927 495 S CB -0.127 63.102 63.200 0.049 0.000 0.774 495 S HN 0.416 nan 8.310 nan 0.000 0.524 496 K N 1.738 122.169 120.400 0.051 0.000 2.097 496 K HA 0.236 4.561 4.320 0.009 0.000 0.205 496 K C 1.342 177.975 176.600 0.055 0.000 1.050 496 K CA 1.244 57.559 56.287 0.047 0.000 0.938 496 K CB -1.108 31.414 32.500 0.037 0.000 0.718 496 K HN 0.464 nan 8.250 nan 0.000 0.442 497 S N 1.670 117.412 115.700 0.069 0.000 2.579 497 S HA 0.339 4.814 4.470 0.009 0.000 0.275 497 S C -2.340 172.321 174.600 0.102 0.000 1.345 497 S CA -1.109 57.143 58.200 0.087 0.000 1.031 497 S CB 1.148 64.413 63.200 0.109 0.000 0.892 497 S HN 0.374 nan 8.310 nan 0.000 0.529 498 P HA 0.157 nan 4.420 nan 0.000 0.271 498 P C -0.640 176.746 177.300 0.143 0.000 1.218 498 P CA -0.323 62.836 63.100 0.099 0.000 0.780 498 P CB 0.404 32.147 31.700 0.071 0.000 0.901 499 Q N 0.853 120.738 119.800 0.142 0.000 2.227 499 Q HA 0.224 4.570 4.340 0.009 0.000 0.245 499 Q C -0.786 175.364 176.000 0.250 0.000 0.926 499 Q CA -0.108 55.813 55.803 0.196 0.000 0.895 499 Q CB 1.217 30.057 28.738 0.169 0.000 1.230 499 Q HN 0.561 nan 8.270 nan 0.000 0.450 500 W N 5.917 127.266 121.300 0.081 0.000 2.311 500 W HA 0.340 5.005 4.660 0.008 0.000 0.317 500 W C -2.473 174.183 176.519 0.228 0.000 1.065 500 W CA -2.532 54.871 57.345 0.097 0.000 1.364 500 W CB 0.535 29.984 29.460 -0.019 0.000 1.233 500 W HN 0.369 nan 8.180 nan 0.000 0.409 501 P HA 0.270 nan 4.420 nan 0.000 0.278 501 P C -2.603 174.906 177.300 0.349 0.000 1.238 501 P CA -1.680 61.643 63.100 0.371 0.000 0.794 501 P CB 0.854 32.690 31.700 0.226 0.000 0.955 502 P HA 0.056 nan 4.420 nan 0.000 0.269 502 P C -0.557 176.746 177.300 0.006 0.000 1.209 502 P CA 0.110 63.040 63.100 -0.283 0.000 0.776 502 P CB 0.049 31.529 31.700 -0.366 0.000 0.876 503 Y N 2.898 123.155 120.300 -0.071 0.000 2.465 503 Y HA 0.305 4.863 4.550 0.014 0.000 0.331 503 Y C 0.467 176.359 175.900 -0.013 0.000 1.102 503 Y CA 0.729 58.846 58.100 0.028 0.000 1.358 503 Y CB 0.222 38.717 38.460 0.057 0.000 1.213 503 Y HN 0.414 nan 8.280 nan 0.000 0.525 504 T N 0.092 114.367 114.554 -0.465 0.000 2.901 504 T HA 0.254 4.609 4.350 0.009 0.000 0.293 504 T C 0.886 175.304 174.700 -0.470 0.000 1.084 504 T CA -0.222 61.693 62.100 -0.308 0.000 1.008 504 T CB 1.278 70.050 68.868 -0.160 0.000 1.170 504 T HN 0.626 nan 8.240 nan 0.000 0.509 505 T N -1.036 113.402 114.554 -0.193 0.000 2.904 505 T HA 0.046 4.401 4.350 0.009 0.000 0.267 505 T C 2.264 176.898 174.700 -0.111 0.000 1.059 505 T CA 0.904 62.931 62.100 -0.122 0.000 1.137 505 T CB -0.806 68.057 68.868 -0.008 0.000 0.879 505 T HN 0.848 nan 8.240 nan 0.000 0.467 506 A N 1.816 124.579 122.820 -0.095 0.000 1.855 506 A HA 0.446 4.771 4.320 0.009 0.000 0.215 506 A C 2.664 180.205 177.584 -0.072 0.000 1.191 506 A CA 1.754 53.755 52.037 -0.061 0.000 0.613 506 A CB -1.159 17.817 19.000 -0.041 0.000 0.829 506 A HN 0.752 nan 8.150 nan 0.000 0.442 507 A N -2.619 120.134 122.820 -0.111 0.000 2.140 507 A HA 0.301 4.627 4.320 0.009 0.000 0.209 507 A C 0.958 178.474 177.584 -0.114 0.000 1.181 507 A CA 0.853 52.840 52.037 -0.083 0.000 0.824 507 A CB -0.141 18.827 19.000 -0.054 0.000 0.879 507 A HN 0.520 nan 8.150 nan 0.000 0.480 508 Q N -0.254 119.359 119.800 -0.310 0.000 2.475 508 Q HA -0.220 4.126 4.340 0.009 0.000 0.280 508 Q C -0.701 175.309 176.000 0.016 0.000 1.234 508 Q CA 0.703 56.255 55.803 -0.419 0.000 0.873 508 Q CB -1.781 26.910 28.738 -0.079 0.000 1.256 508 Q HN 0.840 nan 8.270 nan 0.000 0.475 509 Q N 0.252 120.067 119.800 0.025 0.000 2.293 509 Q HA 0.495 4.840 4.340 0.009 0.000 0.251 509 Q C -0.350 175.948 176.000 0.497 0.000 0.930 509 Q CA 0.049 55.980 55.803 0.214 0.000 0.893 509 Q CB 0.615 29.424 28.738 0.118 0.000 1.215 509 Q HN 0.338 nan 8.270 nan 0.000 0.425 510 Y N -1.959 118.487 120.300 0.243 0.000 2.670 510 Y HA 0.689 5.251 4.550 0.020 0.000 0.334 510 Y C -1.306 174.632 175.900 0.064 0.000 1.185 510 Y CA -1.533 56.714 58.100 0.245 0.000 1.053 510 Y CB 0.529 39.132 38.460 0.238 0.000 1.298 510 Y HN 0.349 nan 8.280 nan 0.000 0.459 511 V N -0.232 119.643 119.914 -0.064 0.000 2.715 511 V HA 0.823 4.949 4.120 0.009 0.000 0.310 511 V C -0.184 175.826 176.094 -0.141 0.000 1.054 511 V CA -0.543 61.555 62.300 -0.337 0.000 0.928 511 V CB 1.245 32.590 31.823 -0.797 0.000 1.007 511 V HN 1.212 nan 8.190 nan 0.000 0.437 512 S N 4.266 119.879 115.700 -0.146 0.000 2.489 512 S HA 0.639 5.114 4.470 0.009 0.000 0.277 512 S C -0.410 174.159 174.600 -0.051 0.000 1.230 512 S CA -0.607 57.577 58.200 -0.027 0.000 1.053 512 S CB 0.401 63.575 63.200 -0.043 0.000 0.955 512 S HN 0.750 nan 8.310 nan 0.000 0.488 513 L N 4.492 125.738 121.223 0.038 0.000 2.272 513 L HA 0.470 4.816 4.340 0.009 0.000 0.284 513 L C -0.147 176.670 176.870 -0.088 0.000 1.045 513 L CA -0.422 54.469 54.840 0.084 0.000 0.842 513 L CB -0.204 41.996 42.059 0.235 0.000 1.224 513 L HN 0.911 nan 8.230 nan 0.000 0.430 514 N N 2.123 120.703 118.700 -0.199 0.000 3.439 514 N HA 0.336 5.082 4.740 0.009 0.000 0.313 514 N C 0.268 175.248 175.510 -0.883 0.000 1.598 514 N CA -0.965 51.701 53.050 -0.640 0.000 0.830 514 N CB 0.610 38.881 38.487 -0.360 0.000 1.849 514 N HN 0.159 nan 8.380 nan 0.000 0.598 515 L N -0.987 119.720 121.223 -0.859 0.000 2.275 515 L HA 0.060 4.406 4.340 0.009 0.000 0.215 515 L C 0.512 177.211 176.870 -0.285 0.000 1.119 515 L CA 0.987 55.444 54.840 -0.639 0.000 0.790 515 L CB -0.500 41.273 42.059 -0.476 0.000 0.919 515 L HN 0.393 nan 8.230 nan 0.000 0.443 516 K N 0.141 120.413 120.400 -0.213 0.000 2.126 516 K HA 0.266 4.591 4.320 0.009 0.000 0.257 516 K C -2.148 174.419 176.600 -0.054 0.000 1.007 516 K CA -1.906 54.317 56.287 -0.107 0.000 0.928 516 K CB 0.241 32.687 32.500 -0.090 0.000 1.013 516 K HN -0.217 nan 8.250 nan 0.000 0.473 517 P HA -0.068 nan 4.420 nan 0.000 0.267 517 P C -0.427 176.880 177.300 0.012 0.000 1.201 517 P CA 0.013 63.127 63.100 0.024 0.000 0.775 517 P CB 0.366 32.080 31.700 0.023 0.000 0.854 518 L N 1.663 122.910 121.223 0.040 0.000 2.615 518 L HA -0.071 4.274 4.340 0.009 0.000 0.284 518 L C 1.125 177.962 176.870 -0.055 0.000 1.237 518 L CA 0.842 55.663 54.840 -0.030 0.000 0.905 518 L CB -0.261 41.770 42.059 -0.047 0.000 1.149 518 L HN 0.501 nan 8.230 nan 0.000 0.499 519 E N 3.224 123.366 120.200 -0.097 0.000 2.176 519 E HA 0.368 4.724 4.350 0.009 0.000 0.267 519 E C -1.259 175.247 176.600 -0.157 0.000 0.893 519 E CA -0.792 55.549 56.400 -0.098 0.000 0.761 519 E CB 1.814 31.463 29.700 -0.086 0.000 1.133 519 E HN 0.303 nan 8.360 nan 0.000 0.409 520 V N 5.320 125.155 119.914 -0.131 0.000 2.488 520 V HA 0.342 4.468 4.120 0.009 0.000 0.277 520 V C 0.374 176.333 176.094 -0.224 0.000 1.046 520 V CA -0.074 62.128 62.300 -0.163 0.000 0.986 520 V CB 0.853 32.638 31.823 -0.063 0.000 0.989 520 V HN 0.702 nan 8.190 nan 0.000 0.475 521 R N 4.043 124.277 120.500 -0.442 0.000 2.919 521 R HA 0.746 5.092 4.340 0.009 0.000 0.260 521 R C -0.739 175.353 176.300 -0.348 0.000 1.067 521 R CA -1.031 54.781 56.100 -0.480 0.000 1.003 521 R CB 2.236 32.081 30.300 -0.757 0.000 1.192 521 R HN 0.564 nan 8.270 nan 0.000 0.488 522 R N -0.031 120.451 120.500 -0.031 0.000 2.561 522 R HA 0.454 4.800 4.340 0.009 0.000 0.297 522 R C -0.900 175.604 176.300 0.341 0.000 0.969 522 R CA -0.480 55.722 56.100 0.169 0.000 0.879 522 R CB 2.226 32.575 30.300 0.082 0.000 1.178 522 R HN 0.909 nan 8.270 nan 0.000 0.445 523 G N 2.480 111.525 108.800 0.409 0.000 3.405 523 G HA2 -0.209 3.756 3.960 0.009 0.000 0.676 523 G HA3 -0.209 3.756 3.960 0.009 0.000 0.676 523 G C -1.064 173.997 174.900 0.268 0.000 1.039 523 G CA -0.889 44.393 45.100 0.304 0.000 0.855 523 G HN 0.420 nan 8.290 nan 0.000 0.443 524 L N 4.153 125.424 121.223 0.080 0.000 2.401 524 L HA 0.543 4.889 4.340 0.009 0.000 0.283 524 L C 1.565 178.433 176.870 -0.003 0.000 1.151 524 L CA -0.282 54.445 54.840 -0.188 0.000 0.942 524 L CB -0.290 41.580 42.059 -0.315 0.000 1.283 524 L HN 0.687 nan 8.230 nan 0.000 0.442 525 R N 3.021 123.557 120.500 0.060 0.000 3.322 525 R HA -0.283 4.063 4.340 0.009 0.000 0.253 525 R C 1.323 177.711 176.300 0.147 0.000 0.987 525 R CA 0.682 56.857 56.100 0.125 0.000 0.666 525 R CB -2.048 28.336 30.300 0.139 0.000 1.072 525 R HN 0.820 nan 8.270 nan 0.000 0.447 526 A N 0.614 123.519 122.820 0.141 0.000 1.873 526 A HA -0.266 4.060 4.320 0.009 0.000 0.218 526 A C 2.074 179.745 177.584 0.145 0.000 1.193 526 A CA 1.406 53.527 52.037 0.140 0.000 0.629 526 A CB -0.121 18.957 19.000 0.131 0.000 0.826 526 A HN 0.424 nan 8.150 nan 0.000 0.447 527 Q N -0.870 119.016 119.800 0.143 0.000 2.016 527 Q HA -0.096 4.249 4.340 0.009 0.000 0.200 527 Q C 2.284 178.395 176.000 0.186 0.000 0.978 527 Q CA 2.037 57.927 55.803 0.146 0.000 0.833 527 Q CB -1.201 27.613 28.738 0.127 0.000 0.895 527 Q HN 0.657 nan 8.270 nan 0.000 0.427 528 T N 0.696 115.389 114.554 0.232 0.000 2.788 528 T HA -0.119 4.236 4.350 0.009 0.000 0.268 528 T C 2.008 176.936 174.700 0.380 0.000 1.044 528 T CA 1.157 63.431 62.100 0.289 0.000 1.139 528 T CB -0.254 68.842 68.868 0.380 0.000 0.867 528 T HN 0.309 nan 8.240 nan 0.000 0.454 529 c N 1.505 120.307 118.600 0.337 0.000 2.448 529 c HA 0.288 4.863 4.570 0.009 0.000 0.280 529 c C 3.096 177.345 174.090 0.264 0.000 1.398 529 c CA -0.125 56.411 56.329 0.344 0.000 1.774 529 c CB -1.411 41.230 42.510 0.220 0.000 1.888 529 c HN 0.639 nan 8.230 nan 0.000 0.519 530 A N 0.413 123.356 122.820 0.206 0.000 1.908 530 A HA -0.208 4.117 4.320 0.009 0.000 0.218 530 A C 1.858 179.542 177.584 0.166 0.000 1.181 530 A CA 1.712 53.845 52.037 0.161 0.000 0.627 530 A CB -0.779 18.301 19.000 0.133 0.000 0.818 530 A HN 0.558 nan 8.150 nan 0.000 0.445 531 F N -0.819 119.121 119.950 -0.017 0.000 2.051 531 F HA -0.177 4.355 4.527 0.008 0.000 0.296 531 F C 1.993 177.762 175.800 -0.051 0.000 1.122 531 F CA 1.862 59.776 58.000 -0.144 0.000 1.201 531 F CB -0.615 38.036 39.000 -0.582 0.000 0.978 531 F HN 0.366 nan 8.300 nan 0.000 0.472 532 W N 0.571 121.850 121.300 -0.035 0.000 2.388 532 W HA -0.137 4.527 4.660 0.006 0.000 0.294 532 W C 2.070 178.531 176.519 -0.098 0.000 1.212 532 W CA 1.081 58.361 57.345 -0.110 0.000 1.271 532 W CB -0.485 29.046 29.460 0.118 0.000 1.126 532 W HN 0.006 nan 8.180 nan 0.000 0.535 533 N N -0.839 117.977 118.700 0.193 0.000 2.388 533 N HA 0.072 4.817 4.740 0.009 0.000 0.176 533 N C 1.408 176.947 175.510 0.049 0.000 1.062 533 N CA 0.708 53.823 53.050 0.109 0.000 0.895 533 N CB -0.012 38.541 38.487 0.111 0.000 1.018 533 N HN 0.222 nan 8.380 nan 0.000 0.456 534 R N -1.439 119.090 120.500 0.048 0.000 2.243 534 R HA 0.245 4.590 4.340 0.009 0.000 0.193 534 R C 1.289 177.605 176.300 0.026 0.000 0.933 534 R CA -0.041 56.085 56.100 0.042 0.000 1.105 534 R CB -0.079 30.268 30.300 0.078 0.000 1.169 534 R HN 0.023 nan 8.270 nan 0.000 0.599 535 F N 1.712 121.576 119.950 -0.143 0.000 2.123 535 F HA 0.110 4.643 4.527 0.009 0.000 0.289 535 F C 1.804 177.448 175.800 -0.259 0.000 1.099 535 F CA 1.093 58.982 58.000 -0.186 0.000 1.234 535 F CB -0.229 38.659 39.000 -0.186 0.000 1.034 535 F HN -0.173 nan 8.300 nan 0.000 0.479 536 L N 0.554 121.431 121.223 -0.577 0.000 2.043 536 L HA -0.187 4.158 4.340 0.009 0.000 0.212 536 L C -0.457 176.169 176.870 -0.407 0.000 1.075 536 L CA 1.585 56.062 54.840 -0.606 0.000 0.752 536 L CB -2.111 39.645 42.059 -0.506 0.000 0.891 536 L HN 0.155 nan 8.230 nan 0.000 0.432 537 P HA -0.188 nan 4.420 nan 0.000 0.215 537 P C 1.355 178.530 177.300 -0.207 0.000 1.153 537 P CA 1.415 64.410 63.100 -0.175 0.000 0.853 537 P CB 0.001 31.640 31.700 -0.101 0.000 0.788 538 K N -1.150 119.094 120.400 -0.260 0.000 2.148 538 K HA -0.110 4.215 4.320 0.009 0.000 0.204 538 K C 1.937 178.349 176.600 -0.312 0.000 1.050 538 K CA 0.795 56.941 56.287 -0.236 0.000 0.942 538 K CB -0.748 31.645 32.500 -0.178 0.000 0.724 538 K HN 0.058 nan 8.250 nan 0.000 0.446 539 L N 1.414 122.319 121.223 -0.530 0.000 1.994 539 L HA -0.160 4.186 4.340 0.009 0.000 0.208 539 L C 2.063 178.785 176.870 -0.247 0.000 1.071 539 L CA 1.377 55.944 54.840 -0.455 0.000 0.745 539 L CB -0.756 40.931 42.059 -0.619 0.000 0.892 539 L HN 0.066 nan 8.230 nan 0.000 0.431 540 L N -0.027 121.061 121.223 -0.224 0.000 2.034 540 L HA -0.229 4.117 4.340 0.009 0.000 0.217 540 L C 1.492 178.300 176.870 -0.103 0.000 1.077 540 L CA 1.735 56.492 54.840 -0.137 0.000 0.769 540 L CB -0.999 40.990 42.059 -0.117 0.000 0.890 540 L HN 0.331 nan 8.230 nan 0.000 0.435 541 S N 1.146 116.782 115.700 -0.105 0.000 3.570 541 S HA 0.463 4.938 4.470 0.009 0.000 0.259 541 S C 0.345 174.903 174.600 -0.071 0.000 1.150 541 S CA 0.309 58.463 58.200 -0.077 0.000 1.139 541 S CB -1.646 61.511 63.200 -0.071 0.000 1.624 541 S HN 0.854 nan 8.310 nan 0.000 0.525 542 A N 0.000 122.784 122.820 -0.061 0.000 2.254 542 A HA 0.000 4.325 4.320 0.009 0.000 0.244 542 A CA 0.000 52.008 52.037 -0.049 0.000 0.836 542 A CB 0.000 18.976 19.000 -0.041 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486