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 2ha7_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 LARLVGcPXX 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 0.000 176.609 176.600 0.014 0.000 1.382 1 E CA 0.000 56.407 56.400 0.012 0.000 0.976 1 E CB 0.000 29.707 29.700 0.012 0.000 0.812 2 G N 1.534 110.342 108.800 0.013 0.000 3.943 2 G HA2 0.253 4.217 3.960 0.007 0.000 0.275 2 G HA3 0.253 4.217 3.960 0.007 0.000 0.275 2 G C 0.450 175.359 174.900 0.015 0.000 1.234 2 G CA -0.396 44.714 45.100 0.015 0.000 1.522 2 G HN -0.084 nan 8.290 nan 0.000 0.636 3 R N 0.123 120.632 120.500 0.015 0.000 2.397 3 R HA 0.170 4.514 4.340 0.007 0.000 0.241 3 R C 0.995 177.306 176.300 0.018 0.000 0.914 3 R CA -0.076 56.033 56.100 0.015 0.000 1.071 3 R CB 0.341 30.648 30.300 0.011 0.000 1.116 3 R HN 0.665 nan 8.270 nan 0.000 0.524 4 E N -0.222 119.991 120.200 0.022 0.000 2.312 4 E HA 0.095 4.449 4.350 0.007 0.000 0.259 4 E C -0.734 175.887 176.600 0.036 0.000 1.122 4 E CA -0.854 55.562 56.400 0.026 0.000 0.922 4 E CB 0.593 30.309 29.700 0.027 0.000 1.109 4 E HN -0.176 nan 8.360 nan 0.000 0.442 5 D N 1.861 122.289 120.400 0.046 0.000 2.363 5 D HA 0.019 4.663 4.640 0.007 0.000 0.263 5 D C -1.307 175.031 176.300 0.063 0.000 1.258 5 D CA -2.270 51.771 54.000 0.068 0.000 0.907 5 D CB 0.901 41.764 40.800 0.104 0.000 1.107 5 D HN 0.183 nan 8.370 nan 0.000 0.495 6 P HA -0.204 nan 4.420 nan 0.000 0.220 6 P C 1.001 178.314 177.300 0.021 0.000 1.144 6 P CA 0.944 64.060 63.100 0.027 0.000 0.800 6 P CB 0.418 32.124 31.700 0.010 0.000 0.772 7 Q N -0.785 119.021 119.800 0.010 0.000 2.403 7 Q HA 0.114 4.458 4.340 0.007 0.000 0.203 7 Q C 1.642 177.696 176.000 0.091 0.000 0.932 7 Q CA 0.498 56.281 55.803 -0.034 0.000 0.945 7 Q CB -0.598 27.972 28.738 -0.280 0.000 1.045 7 Q HN 0.248 nan 8.270 nan 0.000 0.511 8 L N -0.299 121.001 121.223 0.127 0.000 2.693 8 L HA 0.293 4.637 4.340 0.007 0.000 0.235 8 L C -0.410 176.630 176.870 0.283 0.000 1.127 8 L CA -0.131 54.808 54.840 0.165 0.000 0.914 8 L CB 0.433 42.513 42.059 0.036 0.000 1.193 8 L HN 0.031 nan 8.230 nan 0.000 0.502 9 L N 0.960 122.303 121.223 0.200 0.000 2.276 9 L HA 0.511 4.855 4.340 0.007 0.000 0.286 9 L C -0.723 176.200 176.870 0.089 0.000 1.024 9 L CA -0.376 54.561 54.840 0.162 0.000 0.826 9 L CB 1.593 43.706 42.059 0.091 0.000 1.211 9 L HN -0.209 nan 8.230 nan 0.000 0.422 10 V N 3.390 123.336 119.914 0.052 0.000 2.876 10 V HA 0.496 4.620 4.120 0.007 0.000 0.312 10 V C -0.327 175.685 176.094 -0.137 0.000 1.085 10 V CA -0.757 61.426 62.300 -0.195 0.000 0.945 10 V CB 2.861 34.290 31.823 -0.658 0.000 1.017 10 V HN 0.711 nan 8.190 nan 0.000 0.428 11 R N 2.529 122.922 120.500 -0.178 0.000 2.393 11 R HA 0.798 5.142 4.340 0.007 0.000 0.310 11 R C -0.803 175.411 176.300 -0.144 0.000 0.968 11 R CA -0.316 55.720 56.100 -0.106 0.000 0.867 11 R CB 1.745 31.984 30.300 -0.102 0.000 1.124 11 R HN 0.689 nan 8.270 nan 0.000 0.450 12 V N 1.799 121.689 119.914 -0.040 0.000 3.204 12 V HA 0.499 4.624 4.120 0.007 0.000 0.316 12 V C 1.144 177.169 176.094 -0.115 0.000 1.160 12 V CA -1.005 61.270 62.300 -0.041 0.000 1.044 12 V CB 1.588 33.541 31.823 0.217 0.000 1.136 12 V HN 0.833 nan 8.190 nan 0.000 0.455 13 R N 1.352 121.771 120.500 -0.136 0.000 2.154 13 R HA -0.044 4.300 4.340 0.007 0.000 0.248 13 R C 1.758 177.942 176.300 -0.194 0.000 1.155 13 R CA 2.408 58.424 56.100 -0.140 0.000 0.979 13 R CB -1.159 29.075 30.300 -0.109 0.000 0.869 13 R HN 1.039 nan 8.270 nan 0.000 0.452 14 G N -2.197 106.449 108.800 -0.257 0.000 2.744 14 G HA2 0.403 4.367 3.960 0.007 0.000 0.211 14 G HA3 0.403 4.367 3.960 0.007 0.000 0.211 14 G C 0.372 174.348 174.900 -1.541 0.000 1.146 14 G CA 0.351 45.036 45.100 -0.692 0.000 0.787 14 G HN 0.724 nan 8.290 nan 0.000 0.534 15 G N -1.001 107.178 108.800 -1.035 0.000 2.339 15 G HA2 0.153 4.117 3.960 0.007 0.000 0.275 15 G HA3 0.153 4.117 3.960 0.007 0.000 0.275 15 G C -1.325 173.499 174.900 -0.127 0.000 1.323 15 G CA -0.946 43.666 45.100 -0.814 0.000 0.927 15 G HN 0.254 nan 8.290 nan 0.000 0.486 16 Q N -0.254 119.627 119.800 0.135 0.000 2.261 16 Q HA 0.664 5.008 4.340 0.007 0.000 0.252 16 Q C -0.449 175.832 176.000 0.468 0.000 0.915 16 Q CA -0.140 55.818 55.803 0.258 0.000 0.915 16 Q CB 1.643 30.482 28.738 0.168 0.000 1.204 16 Q HN 0.434 nan 8.270 nan 0.000 0.421 17 L N 1.736 123.166 121.223 0.345 0.000 2.354 17 L HA 0.611 4.955 4.340 0.007 0.000 0.269 17 L C -0.365 176.698 176.870 0.322 0.000 1.005 17 L CA -0.815 54.241 54.840 0.359 0.000 0.819 17 L CB 1.988 44.301 42.059 0.425 0.000 1.311 17 L HN 0.450 nan 8.230 nan 0.000 0.423 18 R N 0.894 121.552 120.500 0.264 0.000 2.360 18 R HA 0.610 4.954 4.340 0.007 0.000 0.318 18 R C -0.218 176.154 176.300 0.121 0.000 0.950 18 R CA -0.316 55.901 56.100 0.195 0.000 0.837 18 R CB 1.472 31.829 30.300 0.095 0.000 1.165 18 R HN 0.828 nan 8.270 nan 0.000 0.458 19 G N 3.343 112.131 108.800 -0.020 0.000 2.532 19 G HA2 0.426 4.390 3.960 0.007 0.000 0.291 19 G HA3 0.426 4.390 3.960 0.007 0.000 0.291 19 G C -0.928 173.745 174.900 -0.378 0.000 1.349 19 G CA -0.740 44.023 45.100 -0.562 0.000 1.038 19 G HN 0.601 nan 8.290 nan 0.000 0.518 20 I N -0.846 119.464 120.570 -0.432 0.000 2.608 20 I HA 0.505 4.679 4.170 0.007 0.000 0.295 20 I C 0.012 175.996 176.117 -0.223 0.000 1.049 20 I CA -1.186 59.959 61.300 -0.260 0.000 1.063 20 I CB 1.973 39.836 38.000 -0.228 0.000 1.248 20 I HN 0.425 nan 8.210 nan 0.000 0.424 21 R N 7.893 128.298 120.500 -0.157 0.000 2.210 21 R HA 0.465 4.809 4.340 0.007 0.000 0.338 21 R C -1.601 174.587 176.300 -0.187 0.000 1.062 21 R CA -0.371 55.613 56.100 -0.194 0.000 0.902 21 R CB 0.417 30.545 30.300 -0.286 0.000 1.050 21 R HN 0.653 nan 8.270 nan 0.000 0.461 22 L N 3.727 124.860 121.223 -0.151 0.000 2.344 22 L HA 0.420 4.765 4.340 0.007 0.000 0.272 22 L C 0.250 177.045 176.870 -0.126 0.000 1.035 22 L CA -0.771 54.002 54.840 -0.111 0.000 0.807 22 L CB 1.607 43.639 42.059 -0.046 0.000 1.237 22 L HN 0.516 nan 8.230 nan 0.000 0.442 23 K N 1.617 121.952 120.400 -0.107 0.000 2.205 23 K HA 0.669 4.993 4.320 0.007 0.000 0.279 23 K C -0.948 175.592 176.600 -0.101 0.000 1.027 23 K CA -0.299 55.930 56.287 -0.097 0.000 0.932 23 K CB 1.294 33.750 32.500 -0.073 0.000 1.032 23 K HN 0.712 nan 8.250 nan 0.000 0.466 24 A N 5.071 127.839 122.820 -0.087 0.000 2.475 24 A HA 0.450 4.774 4.320 0.007 0.000 0.301 24 A C -2.259 175.324 177.584 -0.001 0.000 1.059 24 A CA -1.606 50.377 52.037 -0.089 0.000 0.710 24 A CB 1.331 20.242 19.000 -0.148 0.000 1.288 24 A HN 0.597 nan 8.150 nan 0.000 0.408 25 P HA -0.197 nan 4.420 nan 0.000 0.220 25 P C 1.398 178.725 177.300 0.046 0.000 1.155 25 P CA 2.429 65.573 63.100 0.073 0.000 0.880 25 P CB 0.259 32.031 31.700 0.119 0.000 0.790 26 G N -2.529 106.301 108.800 0.049 0.000 3.042 26 G HA2 0.434 4.398 3.960 0.007 0.000 0.212 26 G HA3 0.434 4.398 3.960 0.007 0.000 0.212 26 G C 0.549 175.464 174.900 0.026 0.000 1.166 26 G CA 0.504 45.627 45.100 0.037 0.000 0.767 26 G HN 0.654 nan 8.290 nan 0.000 0.546 27 G N -0.564 108.243 108.800 0.011 0.000 2.369 27 G HA2 0.326 4.290 3.960 0.007 0.000 0.295 27 G HA3 0.326 4.290 3.960 0.007 0.000 0.295 27 G C -3.400 171.483 174.900 -0.028 0.000 1.298 27 G CA -0.678 44.422 45.100 -0.001 0.000 0.940 27 G HN 0.071 nan 8.290 nan 0.000 0.536 28 P HA 0.553 nan 4.420 nan 0.000 0.281 28 P C 0.056 177.337 177.300 -0.031 0.000 1.249 28 P CA -0.327 62.685 63.100 -0.146 0.000 0.810 28 P CB 1.691 33.150 31.700 -0.403 0.000 1.008 29 V N -1.271 118.629 119.914 -0.024 0.000 3.074 29 V HA 0.702 4.826 4.120 0.007 0.000 0.314 29 V C -0.418 175.759 176.094 0.139 0.000 1.117 29 V CA -0.860 61.512 62.300 0.119 0.000 1.014 29 V CB 1.840 33.743 31.823 0.133 0.000 1.057 29 V HN 0.431 nan 8.190 nan 0.000 0.438 30 S N 1.692 117.537 115.700 0.242 0.000 2.462 30 S HA 0.870 5.345 4.470 0.007 0.000 0.294 30 S C -0.066 174.549 174.600 0.026 0.000 1.144 30 S CA 0.014 58.309 58.200 0.159 0.000 1.088 30 S CB 1.164 64.544 63.200 0.300 0.000 1.009 30 S HN 1.555 nan 8.310 nan 0.000 0.484 31 A N 2.730 125.381 122.820 -0.283 0.000 2.374 31 A HA 0.810 5.134 4.320 0.007 0.000 0.305 31 A C -1.315 175.887 177.584 -0.637 0.000 1.053 31 A CA -0.613 51.154 52.037 -0.450 0.000 0.726 31 A CB 0.566 19.271 19.000 -0.492 0.000 1.229 31 A HN 0.691 nan 8.150 nan 0.000 0.431 32 F N 2.851 122.623 119.950 -0.296 0.000 2.443 32 F HA 0.439 4.970 4.527 0.006 0.000 0.369 32 F C -0.183 175.426 175.800 -0.318 0.000 1.090 32 F CA -0.278 57.620 58.000 -0.170 0.000 1.129 32 F CB 1.220 40.264 39.000 0.072 0.000 1.367 32 F HN 0.364 nan 8.300 nan 0.000 0.465 33 L N 1.976 123.033 121.223 -0.276 0.000 2.343 33 L HA 0.680 5.024 4.340 0.007 0.000 0.275 33 L C 1.064 177.823 176.870 -0.185 0.000 1.056 33 L CA -0.871 53.743 54.840 -0.376 0.000 0.804 33 L CB 1.466 43.078 42.059 -0.745 0.000 1.203 33 L HN 0.811 nan 8.230 nan 0.000 0.440 34 G N 2.861 111.612 108.800 -0.081 0.000 2.221 34 G HA2 -0.265 3.699 3.960 0.007 0.000 0.265 34 G HA3 -0.265 3.699 3.960 0.007 0.000 0.265 34 G C -0.033 174.906 174.900 0.065 0.000 1.041 34 G CA -0.309 44.760 45.100 -0.052 0.000 0.807 34 G HN 0.490 nan 8.290 nan 0.000 0.502 35 I N 2.078 122.692 120.570 0.074 0.000 2.517 35 I HA 0.210 4.384 4.170 0.007 0.000 0.285 35 I C -1.472 174.716 176.117 0.119 0.000 1.106 35 I CA -1.897 59.440 61.300 0.063 0.000 1.402 35 I CB 0.796 38.783 38.000 -0.023 0.000 1.399 35 I HN -0.034 nan 8.210 nan 0.000 0.535 36 P HA 0.062 nan 4.420 nan 0.000 0.281 36 P C -0.213 177.053 177.300 -0.056 0.000 1.252 36 P CA -0.056 62.939 63.100 -0.175 0.000 0.778 36 P CB 0.488 32.060 31.700 -0.213 0.000 0.895 37 F N 0.982 120.786 119.950 -0.244 0.000 2.706 37 F HA 0.746 5.277 4.527 0.007 0.000 0.313 37 F C -0.016 175.778 175.800 -0.011 0.000 1.096 37 F CA -0.762 57.163 58.000 -0.125 0.000 1.219 37 F CB 0.267 39.091 39.000 -0.294 0.000 1.051 37 F HN 0.326 nan 8.300 nan 0.000 0.568 38 A N 0.047 122.590 122.820 -0.461 0.000 2.594 38 A HA 0.545 4.869 4.320 0.007 0.000 0.295 38 A C -0.853 176.571 177.584 -0.266 0.000 1.071 38 A CA -0.794 51.051 52.037 -0.321 0.000 0.685 38 A CB 0.972 19.685 19.000 -0.479 0.000 1.285 38 A HN 0.062 nan 8.150 nan 0.000 0.405 39 E N 1.242 121.361 120.200 -0.135 0.000 2.442 39 E HA 0.199 4.553 4.350 0.007 0.000 0.262 39 E C -2.285 174.213 176.600 -0.170 0.000 1.004 39 E CA -1.072 55.261 56.400 -0.111 0.000 0.928 39 E CB 0.008 29.678 29.700 -0.049 0.000 0.937 39 E HN 0.259 nan 8.360 nan 0.000 0.446 40 P HA 0.038 nan 4.420 nan 0.000 0.263 40 P C -2.248 174.977 177.300 -0.124 0.000 1.195 40 P CA -0.946 62.059 63.100 -0.158 0.000 0.762 40 P CB -0.031 31.611 31.700 -0.096 0.000 0.799 41 P HA 0.020 nan 4.420 nan 0.000 0.218 41 P C -0.297 176.930 177.300 -0.122 0.000 1.793 41 P CA 0.026 63.058 63.100 -0.115 0.000 0.941 41 P CB -0.119 31.514 31.700 -0.111 0.000 1.919 42 V N -2.471 117.379 119.914 -0.106 0.000 2.994 42 V HA 0.902 5.026 4.120 0.007 0.000 0.318 42 V C 0.937 176.977 176.094 -0.091 0.000 1.085 42 V CA 0.188 62.423 62.300 -0.109 0.000 0.998 42 V CB 0.851 32.621 31.823 -0.088 0.000 1.063 42 V HN 0.558 nan 8.190 nan 0.000 0.447 43 G N 2.768 111.513 108.800 -0.092 0.000 2.565 43 G HA2 -0.338 3.626 3.960 0.007 0.000 0.295 43 G HA3 -0.338 3.626 3.960 0.007 0.000 0.295 43 G C 1.185 176.048 174.900 -0.063 0.000 1.165 43 G CA 1.530 46.591 45.100 -0.065 0.000 0.977 43 G HN 2.376 nan 8.290 nan 0.000 0.546 44 S N 0.601 116.279 115.700 -0.037 0.000 2.595 44 S HA 0.091 4.565 4.470 0.007 0.000 0.235 44 S C 1.786 176.372 174.600 -0.025 0.000 0.974 44 S CA 1.510 59.698 58.200 -0.019 0.000 0.942 44 S CB -0.009 63.188 63.200 -0.004 0.000 0.766 44 S HN 0.654 nan 8.310 nan 0.000 0.536 45 R N 0.652 121.121 120.500 -0.052 0.000 2.362 45 R HA 0.257 4.601 4.340 0.007 0.000 0.227 45 R C 0.701 176.942 176.300 -0.097 0.000 0.905 45 R CA -0.270 55.798 56.100 -0.053 0.000 1.067 45 R CB 0.057 30.327 30.300 -0.051 0.000 1.078 45 R HN 0.402 nan 8.270 nan 0.000 0.516 46 R N 0.833 121.220 120.500 -0.188 0.000 2.585 46 R HA -0.112 4.232 4.340 0.007 0.000 0.275 46 R C -0.145 175.906 176.300 -0.416 0.000 1.018 46 R CA 0.621 56.469 56.100 -0.420 0.000 1.072 46 R CB 0.139 30.041 30.300 -0.662 0.000 0.953 46 R HN 0.069 nan 8.270 nan 0.000 0.419 47 F N -1.015 118.943 119.950 0.013 0.000 2.666 47 F HA -0.316 4.215 4.527 0.007 0.000 0.458 47 F C 0.274 176.058 175.800 -0.027 0.000 0.561 47 F CA 0.632 58.615 58.000 -0.028 0.000 1.129 47 F CB -1.405 37.569 39.000 -0.044 0.000 1.751 47 F HN 0.446 nan 8.300 nan 0.000 0.275 48 M N 1.833 121.492 119.600 0.098 0.000 2.274 48 M HA 0.354 4.838 4.480 0.007 0.000 0.344 48 M C -1.832 174.490 176.300 0.036 0.000 1.161 48 M CA -1.497 53.842 55.300 0.065 0.000 1.126 48 M CB 0.290 32.915 32.600 0.041 0.000 1.522 48 M HN -0.327 nan 8.290 nan 0.000 0.461 49 P HA 0.058 nan 4.420 nan 0.000 0.266 49 P C -2.404 174.917 177.300 0.034 0.000 1.193 49 P CA -0.449 62.678 63.100 0.044 0.000 0.770 49 P CB -0.581 31.155 31.700 0.060 0.000 0.836 50 P HA 0.161 nan 4.420 nan 0.000 0.275 50 P C -0.609 176.716 177.300 0.042 0.000 1.227 50 P CA 0.103 63.218 63.100 0.025 0.000 0.781 50 P CB 0.951 32.680 31.700 0.047 0.000 0.906 51 E N 3.112 123.323 120.200 0.018 0.000 2.191 51 E HA 0.375 4.729 4.350 0.007 0.000 0.274 51 E C -2.309 174.315 176.600 0.041 0.000 0.948 51 E CA -2.354 54.066 56.400 0.034 0.000 0.802 51 E CB 0.601 30.313 29.700 0.020 0.000 1.137 51 E HN 0.339 nan 8.360 nan 0.000 0.397 52 P HA -0.078 nan 4.420 nan 0.000 0.265 52 P C -0.573 176.782 177.300 0.092 0.000 1.187 52 P CA -0.058 63.111 63.100 0.115 0.000 0.766 52 P CB 0.407 32.179 31.700 0.120 0.000 0.820 53 K N 3.535 124.010 120.400 0.124 0.000 2.451 53 K HA 0.014 4.338 4.320 0.007 0.000 0.280 53 K C 0.044 176.736 176.600 0.154 0.000 1.020 53 K CA 0.473 56.837 56.287 0.129 0.000 1.008 53 K CB 0.164 32.788 32.500 0.207 0.000 0.917 53 K HN 0.275 nan 8.250 nan 0.000 0.478 54 R N 5.258 125.836 120.500 0.130 0.000 2.438 54 R HA 0.198 4.542 4.340 0.007 0.000 0.287 54 R C -2.028 174.365 176.300 0.155 0.000 1.077 54 R CA -1.806 54.359 56.100 0.110 0.000 1.034 54 R CB 0.360 30.708 30.300 0.080 0.000 0.993 54 R HN 0.597 nan 8.270 nan 0.000 0.459 55 P HA -0.092 nan 4.420 nan 0.000 0.266 55 P C -1.013 176.316 177.300 0.049 0.000 1.195 55 P CA 0.100 63.147 63.100 -0.088 0.000 0.768 55 P CB 0.290 31.889 31.700 -0.169 0.000 0.838 56 W N 1.388 122.722 121.300 0.057 0.000 2.497 56 W HA 0.670 5.333 4.660 0.007 0.000 0.359 56 W C -0.603 175.942 176.519 0.043 0.000 1.131 56 W CA -0.923 56.453 57.345 0.050 0.000 1.280 56 W CB 0.025 29.523 29.460 0.062 0.000 1.319 56 W HN 0.362 nan 8.180 nan 0.000 0.626 57 S N 1.337 117.200 115.700 0.271 0.000 2.565 57 S HA 0.824 5.298 4.470 0.007 0.000 0.290 57 S C 0.383 175.134 174.600 0.252 0.000 1.150 57 S CA -0.093 58.202 58.200 0.158 0.000 1.058 57 S CB 0.935 64.195 63.200 0.100 0.000 1.032 57 S HN 2.039 nan 8.310 nan 0.000 0.510 58 G N 0.472 109.376 108.800 0.173 0.000 2.698 58 G HA2 -0.148 3.816 3.960 0.007 0.000 0.233 58 G HA3 -0.148 3.816 3.960 0.007 0.000 0.233 58 G C -0.674 174.393 174.900 0.279 0.000 1.352 58 G CA -0.403 44.803 45.100 0.178 0.000 0.879 58 G HN 1.642 nan 8.290 nan 0.000 0.567 59 V N 0.900 120.940 119.914 0.209 0.000 2.364 59 V HA 0.504 4.628 4.120 0.007 0.000 0.272 59 V C 0.959 177.153 176.094 0.167 0.000 1.036 59 V CA -0.207 62.225 62.300 0.219 0.000 0.880 59 V CB 1.111 33.018 31.823 0.140 0.000 0.991 59 V HN 0.800 nan 8.190 nan 0.000 0.460 60 L N 4.651 125.978 121.223 0.173 0.000 2.360 60 L HA 0.323 4.667 4.340 0.007 0.000 0.276 60 L C 0.643 177.501 176.870 -0.020 0.000 1.121 60 L CA -0.018 54.768 54.840 -0.090 0.000 0.845 60 L CB 0.649 42.386 42.059 -0.536 0.000 1.143 60 L HN 0.692 nan 8.230 nan 0.000 0.452 61 D N 4.832 125.200 120.400 -0.052 0.000 2.371 61 D HA 0.108 4.752 4.640 0.007 0.000 0.256 61 D C -0.300 175.961 176.300 -0.064 0.000 1.193 61 D CA 0.151 54.127 54.000 -0.041 0.000 0.881 61 D CB 1.416 42.182 40.800 -0.056 0.000 1.143 61 D HN 0.686 nan 8.370 nan 0.000 0.473 62 A N 3.155 125.961 122.820 -0.023 0.000 2.985 62 A HA 0.187 4.511 4.320 0.007 0.000 0.303 62 A C 0.995 178.499 177.584 -0.134 0.000 1.048 62 A CA -0.417 51.598 52.037 -0.037 0.000 1.016 62 A CB -0.077 19.002 19.000 0.131 0.000 1.118 62 A HN 0.568 nan 8.150 nan 0.000 0.529 63 T N -3.179 111.276 114.554 -0.166 0.000 3.023 63 T HA 0.251 4.605 4.350 0.007 0.000 0.253 63 T C 0.722 175.265 174.700 -0.262 0.000 1.038 63 T CA 0.789 62.760 62.100 -0.215 0.000 0.962 63 T CB -0.220 68.554 68.868 -0.157 0.000 1.018 63 T HN 0.685 nan 8.240 nan 0.000 0.521 64 T N -0.583 113.814 114.554 -0.262 0.000 2.896 64 T HA 0.703 5.057 4.350 0.007 0.000 0.297 64 T C -0.756 173.771 174.700 -0.287 0.000 1.108 64 T CA -0.914 61.025 62.100 -0.268 0.000 1.004 64 T CB 1.103 69.882 68.868 -0.148 0.000 1.159 64 T HN 0.000 nan 8.240 nan 0.000 0.499 65 F N 1.832 121.712 119.950 -0.116 0.000 2.496 65 F HA 0.343 4.874 4.527 0.007 0.000 0.344 65 F C 1.471 177.165 175.800 -0.177 0.000 1.155 65 F CA -0.150 57.780 58.000 -0.117 0.000 1.302 65 F CB 0.521 39.483 39.000 -0.063 0.000 1.159 65 F HN 0.476 nan 8.300 nan 0.000 0.595 66 Q N 1.086 120.881 119.800 -0.009 0.000 2.162 66 Q HA 0.220 4.564 4.340 0.007 0.000 0.197 66 Q C -0.243 175.676 176.000 -0.134 0.000 1.013 66 Q CA -0.829 54.815 55.803 -0.265 0.000 1.040 66 Q CB 0.561 28.807 28.738 -0.819 0.000 1.114 66 Q HN 0.516 nan 8.270 nan 0.000 0.547 67 N N -0.089 118.505 118.700 -0.176 0.000 2.345 67 N HA -0.024 4.720 4.740 0.007 0.000 0.243 67 N C -0.505 174.990 175.510 -0.026 0.000 1.246 67 N CA 0.246 53.249 53.050 -0.077 0.000 0.863 67 N CB 0.311 38.771 38.487 -0.045 0.000 1.096 67 N HN 0.172 nan 8.380 nan 0.000 0.446 68 V N 1.598 121.477 119.914 -0.058 0.000 2.567 68 V HA 0.119 4.243 4.120 0.007 0.000 0.289 68 V C 0.586 176.646 176.094 -0.057 0.000 1.049 68 V CA -0.886 61.373 62.300 -0.069 0.000 0.969 68 V CB 1.296 33.042 31.823 -0.127 0.000 0.995 68 V HN 0.706 nan 8.190 nan 0.000 0.471 69 c N 4.095 122.679 118.600 -0.027 0.000 2.634 69 c HA 0.130 4.704 4.570 0.007 0.000 0.418 69 c C 0.514 174.595 174.090 -0.015 0.000 1.373 69 c CA -0.587 55.736 56.329 -0.009 0.000 1.756 69 c CB -1.231 41.298 42.510 0.033 0.000 2.589 69 c HN 0.755 nan 8.230 nan 0.000 0.602 70 Y N 3.962 124.164 120.300 -0.164 0.000 2.895 70 Y HA 0.164 4.718 4.550 0.007 0.000 0.334 70 Y C 0.880 176.850 175.900 0.118 0.000 1.261 70 Y CA 1.218 59.240 58.100 -0.130 0.000 1.560 70 Y CB 0.217 38.414 38.460 -0.438 0.000 1.253 70 Y HN 0.765 nan 8.280 nan 0.000 0.582 71 Q N 3.723 123.635 119.800 0.186 0.000 2.702 71 Q HA 0.187 4.531 4.340 0.007 0.000 0.289 71 Q C -1.875 174.325 176.000 0.333 0.000 0.923 71 Q CA -1.208 54.800 55.803 0.341 0.000 0.787 71 Q CB 1.060 29.938 28.738 0.232 0.000 1.476 71 Q HN 0.657 nan 8.270 nan 0.000 0.402 72 Y N 1.225 121.744 120.300 0.366 0.000 2.620 72 Y HA 0.328 4.882 4.550 0.007 0.000 0.330 72 Y C -0.920 175.153 175.900 0.288 0.000 1.186 72 Y CA 0.288 58.610 58.100 0.371 0.000 1.467 72 Y CB 0.817 39.612 38.460 0.559 0.000 1.262 72 Y HN 0.443 nan 8.280 nan 0.000 0.550 73 V N 7.087 126.776 119.914 -0.375 0.000 2.435 73 V HA 0.088 4.212 4.120 0.007 0.000 0.290 73 V C -0.068 175.718 176.094 -0.513 0.000 1.030 73 V CA -1.101 61.023 62.300 -0.294 0.000 0.881 73 V CB 1.487 33.200 31.823 -0.182 0.000 0.983 73 V HN 0.778 nan 8.190 nan 0.000 0.445 74 D N 3.089 123.400 120.400 -0.148 0.000 2.425 74 D HA 0.116 4.760 4.640 0.007 0.000 0.247 74 D C 0.546 176.855 176.300 0.014 0.000 1.147 74 D CA 0.304 54.317 54.000 0.023 0.000 0.879 74 D CB 1.616 42.579 40.800 0.271 0.000 1.179 74 D HN 0.760 nan 8.370 nan 0.000 0.456 75 T N 1.330 115.904 114.554 0.034 0.000 3.111 75 T HA 0.011 4.365 4.350 0.007 0.000 0.284 75 T C 1.604 176.295 174.700 -0.016 0.000 0.983 75 T CA -0.461 61.644 62.100 0.010 0.000 0.900 75 T CB 0.298 69.151 68.868 -0.026 0.000 1.132 75 T HN 0.196 nan 8.240 nan 0.000 0.531 76 L N 1.227 122.438 121.223 -0.019 0.000 1.956 76 L HA 0.088 4.432 4.340 0.007 0.000 0.216 76 L C -0.137 176.433 176.870 -0.500 0.000 1.073 76 L CA 1.752 56.390 54.840 -0.336 0.000 0.762 76 L CB -0.457 41.277 42.059 -0.543 0.000 0.889 76 L HN 0.416 nan 8.230 nan 0.000 0.433 77 Y N 0.544 120.865 120.300 0.036 0.000 2.805 77 Y HA 0.400 4.954 4.550 0.007 0.000 0.339 77 Y C -2.137 173.814 175.900 0.085 0.000 1.012 77 Y CA -3.273 54.827 58.100 -0.001 0.000 1.262 77 Y CB -0.245 38.136 38.460 -0.130 0.000 1.100 77 Y HN 0.150 nan 8.280 nan 0.000 0.559 78 P HA 0.147 nan 4.420 nan 0.000 0.271 78 P C 0.957 178.319 177.300 0.103 0.000 1.220 78 P CA 0.891 64.051 63.100 0.100 0.000 0.768 78 P CB 1.479 33.205 31.700 0.042 0.000 0.848 79 G N 2.396 111.242 108.800 0.077 0.000 2.176 79 G HA2 -0.279 3.685 3.960 0.007 0.000 0.253 79 G HA3 -0.279 3.685 3.960 0.007 0.000 0.253 79 G C -0.250 174.690 174.900 0.067 0.000 0.979 79 G CA -0.117 45.010 45.100 0.045 0.000 0.641 79 G HN 0.579 nan 8.290 nan 0.000 0.530 80 F N 1.973 121.882 119.950 -0.067 0.000 2.411 80 F HA 0.640 5.171 4.527 0.006 0.000 0.355 80 F C 1.225 176.923 175.800 -0.170 0.000 1.117 80 F CA -0.511 57.403 58.000 -0.143 0.000 1.139 80 F CB 1.186 40.085 39.000 -0.169 0.000 1.120 80 F HN 0.173 nan 8.300 nan 0.000 0.493 81 E N 3.711 123.491 120.200 -0.701 0.000 2.130 81 E HA -0.168 4.186 4.350 0.007 0.000 0.196 81 E C 2.135 178.207 176.600 -0.879 0.000 0.998 81 E CA 1.664 57.667 56.400 -0.662 0.000 0.806 81 E CB -0.282 29.117 29.700 -0.501 0.000 0.738 81 E HN 1.033 nan 8.360 nan 0.000 0.459 82 G N -0.542 107.162 108.800 -1.827 0.000 2.462 82 G HA2 -0.303 3.662 3.960 0.007 0.000 0.220 82 G HA3 -0.303 3.662 3.960 0.007 0.000 0.220 82 G C 1.628 176.408 174.900 -0.201 0.000 1.121 82 G CA 1.581 45.863 45.100 -1.364 0.000 0.758 82 G HN 0.476 nan 8.290 nan 0.000 0.559 83 T N -2.531 111.910 114.554 -0.188 0.000 3.038 83 T HA 0.159 4.513 4.350 0.007 0.000 0.244 83 T C 1.867 176.677 174.700 0.183 0.000 1.016 83 T CA 0.569 62.889 62.100 0.367 0.000 1.098 83 T CB 0.111 69.281 68.868 0.503 0.000 0.954 83 T HN 0.095 nan 8.240 nan 0.000 0.469 84 E N 2.428 122.601 120.200 -0.044 0.000 2.153 84 E HA -0.085 4.269 4.350 0.007 0.000 0.194 84 E C 2.206 178.693 176.600 -0.189 0.000 0.988 84 E CA 1.300 57.648 56.400 -0.087 0.000 0.811 84 E CB -0.508 29.116 29.700 -0.126 0.000 0.746 84 E HN 0.798 nan 8.360 nan 0.000 0.466 85 M N -2.421 116.967 119.600 -0.353 0.000 2.539 85 M HA -0.056 4.428 4.480 0.007 0.000 0.261 85 M C 1.163 177.042 176.300 -0.701 0.000 1.069 85 M CA 1.350 56.292 55.300 -0.598 0.000 1.081 85 M CB -0.468 31.652 32.600 -0.801 0.000 1.412 85 M HN 0.003 nan 8.290 nan 0.000 0.482 86 W N 0.613 121.845 121.300 -0.112 0.000 3.107 86 W HA 0.302 4.966 4.660 0.006 0.000 0.293 86 W C 0.282 176.731 176.519 -0.116 0.000 1.239 86 W CA -0.991 56.279 57.345 -0.125 0.000 1.653 86 W CB -0.048 29.386 29.460 -0.044 0.000 1.068 86 W HN 0.086 nan 8.180 nan 0.000 0.615 87 N N 1.749 120.487 118.700 0.063 0.000 2.482 87 N HA 0.129 4.873 4.740 0.007 0.000 0.260 87 N C -2.402 173.061 175.510 -0.077 0.000 1.236 87 N CA -1.442 51.612 53.050 0.007 0.000 0.938 87 N CB -0.092 38.393 38.487 -0.004 0.000 1.128 87 N HN -0.319 nan 8.380 nan 0.000 0.448 88 P HA 0.046 nan 4.420 nan 0.000 0.265 88 P C 0.210 177.430 177.300 -0.134 0.000 1.193 88 P CA 0.070 63.091 63.100 -0.131 0.000 0.765 88 P CB 0.350 31.970 31.700 -0.133 0.000 0.823 89 N N 1.916 120.523 118.700 -0.155 0.000 2.177 89 N HA 0.083 4.827 4.740 0.007 0.000 0.218 89 N C 0.114 175.556 175.510 -0.112 0.000 1.182 89 N CA 0.015 52.981 53.050 -0.140 0.000 0.882 89 N CB 0.446 38.831 38.487 -0.170 0.000 1.052 89 N HN 0.151 nan 8.380 nan 0.000 0.519 90 R N 0.319 120.752 120.500 -0.113 0.000 2.855 90 R HA 0.263 4.607 4.340 0.007 0.000 0.266 90 R C -0.537 175.705 176.300 -0.097 0.000 1.034 90 R CA -0.698 55.351 56.100 -0.086 0.000 0.944 90 R CB 1.082 31.340 30.300 -0.069 0.000 1.219 90 R HN 0.289 nan 8.270 nan 0.000 0.474 91 E N 1.617 121.767 120.200 -0.084 0.000 2.568 91 E HA -0.066 4.288 4.350 0.007 0.000 0.262 91 E C -0.573 175.959 176.600 -0.113 0.000 0.961 91 E CA 0.149 56.496 56.400 -0.089 0.000 0.945 91 E CB 0.480 30.140 29.700 -0.066 0.000 0.924 91 E HN 0.276 nan 8.360 nan 0.000 0.467 92 L N 3.839 124.963 121.223 -0.166 0.000 2.319 92 L HA 0.241 4.585 4.340 0.007 0.000 0.280 92 L C 0.333 177.140 176.870 -0.105 0.000 1.099 92 L CA -0.079 54.607 54.840 -0.257 0.000 0.828 92 L CB 1.091 42.784 42.059 -0.611 0.000 1.150 92 L HN 0.403 nan 8.230 nan 0.000 0.442 93 S N 1.335 117.024 115.700 -0.018 0.000 2.550 93 S HA 0.256 4.730 4.470 0.007 0.000 0.270 93 S C 0.325 174.928 174.600 0.006 0.000 1.145 93 S CA -0.647 57.593 58.200 0.068 0.000 0.852 93 S CB 1.772 64.984 63.200 0.021 0.000 1.119 93 S HN 0.738 nan 8.310 nan 0.000 0.465 94 E N 0.768 120.922 120.200 -0.077 0.000 2.285 94 E HA -0.042 4.312 4.350 0.007 0.000 0.194 94 E C -0.341 176.191 176.600 -0.113 0.000 0.997 94 E CA 0.420 56.696 56.400 -0.207 0.000 0.845 94 E CB 0.110 29.623 29.700 -0.311 0.000 0.782 94 E HN 0.546 nan 8.360 nan 0.000 0.491 95 D N 0.391 120.764 120.400 -0.046 0.000 2.416 95 D HA -0.023 4.622 4.640 0.007 0.000 0.240 95 D C 0.031 176.408 176.300 0.127 0.000 1.250 95 D CA -0.142 53.864 54.000 0.011 0.000 0.967 95 D CB 0.036 40.863 40.800 0.044 0.000 1.059 95 D HN 0.163 nan 8.370 nan 0.000 0.512 96 c N 2.663 121.309 118.600 0.076 0.000 3.935 96 c HA 0.344 4.918 4.570 0.007 0.000 0.301 96 c C 0.508 174.678 174.090 0.134 0.000 1.874 96 c CA -0.670 55.771 56.329 0.187 0.000 1.723 96 c CB -1.180 41.374 42.510 0.075 0.000 3.192 96 c HN 0.429 nan 8.230 nan 0.000 0.577 97 L N 2.572 123.635 121.223 -0.266 0.000 2.404 97 L HA 0.431 4.775 4.340 0.007 0.000 0.277 97 L C -0.988 175.366 176.870 -0.861 0.000 1.184 97 L CA 0.489 54.989 54.840 -0.567 0.000 1.013 97 L CB -0.622 40.930 42.059 -0.844 0.000 1.318 97 L HN 0.383 nan 8.230 nan 0.000 0.435 98 Y N 2.021 122.338 120.300 0.028 0.000 2.553 98 Y HA 0.606 5.160 4.550 0.007 0.000 0.347 98 Y C -0.057 176.051 175.900 0.346 0.000 1.019 98 Y CA -1.231 56.956 58.100 0.145 0.000 1.032 98 Y CB 2.017 40.497 38.460 0.035 0.000 1.284 98 Y HN 0.229 nan 8.280 nan 0.000 0.466 99 L N -0.130 121.286 121.223 0.323 0.000 2.271 99 L HA 0.783 5.127 4.340 0.007 0.000 0.265 99 L C -1.064 175.812 176.870 0.010 0.000 1.013 99 L CA -1.111 53.778 54.840 0.082 0.000 0.820 99 L CB 1.380 43.282 42.059 -0.261 0.000 1.352 99 L HN 0.472 nan 8.230 nan 0.000 0.443 100 N N -0.328 118.375 118.700 0.005 0.000 2.225 100 N HA 0.712 5.456 4.740 0.007 0.000 0.298 100 N C -1.586 173.831 175.510 -0.155 0.000 1.076 100 N CA -0.411 52.566 53.050 -0.121 0.000 0.792 100 N CB 2.868 41.313 38.487 -0.069 0.000 1.498 100 N HN 0.472 nan 8.380 nan 0.000 0.474 101 V N 1.368 121.107 119.914 -0.293 0.000 2.638 101 V HA 0.473 4.598 4.120 0.007 0.000 0.306 101 V C -0.901 175.118 176.094 -0.124 0.000 1.052 101 V CA -0.754 61.469 62.300 -0.128 0.000 0.885 101 V CB 2.358 33.989 31.823 -0.319 0.000 0.999 101 V HN 0.555 nan 8.190 nan 0.000 0.424 102 W N 2.925 124.315 121.300 0.150 0.000 2.632 102 W HA 0.696 5.361 4.660 0.008 0.000 0.328 102 W C 0.090 176.712 176.519 0.173 0.000 1.044 102 W CA -0.419 57.019 57.345 0.155 0.000 1.225 102 W CB 2.428 31.963 29.460 0.126 0.000 1.396 102 W HN 0.659 nan 8.180 nan 0.000 0.499 103 T N 0.424 115.219 114.554 0.403 0.000 2.883 103 T HA 0.501 4.855 4.350 0.007 0.000 0.301 103 T C -2.856 172.010 174.700 0.278 0.000 1.158 103 T CA -2.371 59.924 62.100 0.325 0.000 1.007 103 T CB 2.324 71.407 68.868 0.357 0.000 1.186 103 T HN -0.096 nan 8.240 nan 0.000 0.499 104 P HA 0.137 nan 4.420 nan 0.000 0.269 104 P C -1.539 175.900 177.300 0.230 0.000 1.205 104 P CA 0.006 63.220 63.100 0.191 0.000 0.780 104 P CB 0.054 31.837 31.700 0.138 0.000 0.858 105 Y N 3.079 123.430 120.300 0.085 0.000 2.338 105 Y HA 0.418 4.972 4.550 0.007 0.000 0.333 105 Y C -2.108 173.824 175.900 0.053 0.000 0.968 105 Y CA -2.505 55.637 58.100 0.071 0.000 1.123 105 Y CB 1.178 39.668 38.460 0.050 0.000 1.165 105 Y HN 0.345 nan 8.280 nan 0.000 0.452 106 P HA 0.187 nan 4.420 nan 0.000 0.272 106 P C -0.878 176.371 177.300 -0.085 0.000 1.240 106 P CA -0.336 62.548 63.100 -0.359 0.000 0.791 106 P CB 0.995 32.528 31.700 -0.279 0.000 0.978 107 R N 1.225 121.692 120.500 -0.055 0.000 2.638 107 R HA 0.103 4.447 4.340 0.007 0.000 0.268 107 R C -1.619 174.701 176.300 0.035 0.000 1.006 107 R CA -0.836 55.295 56.100 0.052 0.000 1.088 107 R CB -0.641 29.704 30.300 0.076 0.000 0.950 107 R HN 0.477 nan 8.270 nan 0.000 0.419 108 P HA -0.013 nan 4.420 nan 0.000 0.268 108 P C -0.324 176.993 177.300 0.028 0.000 1.205 108 P CA 0.119 63.246 63.100 0.045 0.000 0.771 108 P CB 1.121 32.858 31.700 0.060 0.000 0.858 109 A N 3.104 125.933 122.820 0.015 0.000 1.968 109 A HA -0.002 4.322 4.320 0.007 0.000 0.217 109 A C 1.189 178.777 177.584 0.007 0.000 1.169 109 A CA 1.196 53.236 52.037 0.006 0.000 0.638 109 A CB -0.768 18.233 19.000 0.000 0.000 0.812 109 A HN 0.686 nan 8.150 nan 0.000 0.446 110 S N 0.077 115.784 115.700 0.012 0.000 2.489 110 S HA 0.572 5.046 4.470 0.007 0.000 0.291 110 S C -3.009 171.600 174.600 0.016 0.000 1.151 110 S CA -1.748 56.457 58.200 0.009 0.000 1.082 110 S CB 0.979 64.182 63.200 0.006 0.000 1.019 110 S HN 0.038 nan 8.310 nan 0.000 0.492 111 P HA 0.118 nan 4.420 nan 0.000 0.258 111 P C -0.634 176.677 177.300 0.018 0.000 1.172 111 P CA 0.428 63.538 63.100 0.016 0.000 0.762 111 P CB 0.086 31.787 31.700 0.002 0.000 0.764 112 T N 5.727 120.303 114.554 0.036 0.000 2.807 112 T HA 0.412 4.766 4.350 0.007 0.000 0.279 112 T C -2.470 172.255 174.700 0.041 0.000 0.993 112 T CA -1.904 60.220 62.100 0.040 0.000 0.970 112 T CB 1.058 69.964 68.868 0.063 0.000 0.950 112 T HN 0.117 nan 8.240 nan 0.000 0.441 113 P HA 0.130 nan 4.420 nan 0.000 0.264 113 P C -0.936 176.395 177.300 0.052 0.000 1.183 113 P CA -0.188 62.923 63.100 0.018 0.000 0.763 113 P CB 0.390 32.085 31.700 -0.008 0.000 0.807 114 V N 5.243 125.201 119.914 0.074 0.000 2.417 114 V HA 0.311 4.435 4.120 0.007 0.000 0.291 114 V C 0.232 176.401 176.094 0.125 0.000 1.024 114 V CA -0.493 61.876 62.300 0.116 0.000 0.861 114 V CB 1.285 33.192 31.823 0.140 0.000 0.985 114 V HN 0.354 nan 8.190 nan 0.000 0.436 115 L N 6.066 127.370 121.223 0.135 0.000 2.282 115 L HA 0.595 4.939 4.340 0.007 0.000 0.288 115 L C -0.530 176.551 176.870 0.351 0.000 1.033 115 L CA -0.172 54.759 54.840 0.151 0.000 0.807 115 L CB 1.522 43.551 42.059 -0.050 0.000 1.209 115 L HN 0.492 nan 8.230 nan 0.000 0.423 116 I N 2.913 123.741 120.570 0.429 0.000 2.362 116 I HA 0.234 4.408 4.170 0.007 0.000 0.289 116 I C -0.720 175.724 176.117 0.545 0.000 0.994 116 I CA -0.402 61.151 61.300 0.421 0.000 1.158 116 I CB 1.374 39.499 38.000 0.209 0.000 1.315 116 I HN 0.624 nan 8.210 nan 0.000 0.451 117 W N 8.403 129.846 121.300 0.238 0.000 2.417 117 W HA 0.615 5.279 4.660 0.005 0.000 0.317 117 W C -1.579 174.866 176.519 -0.122 0.000 1.121 117 W CA -0.663 56.608 57.345 -0.123 0.000 1.208 117 W CB 1.260 30.663 29.460 -0.094 0.000 1.253 117 W HN 0.342 nan 8.180 nan 0.000 0.533 118 I N 8.646 128.592 120.570 -1.040 0.000 2.411 118 I HA 0.095 4.269 4.170 0.007 0.000 0.284 118 I C -0.361 174.970 176.117 -1.310 0.000 1.012 118 I CA -1.137 59.617 61.300 -0.909 0.000 1.119 118 I CB 0.940 38.576 38.000 -0.607 0.000 1.261 118 I HN 0.305 nan 8.210 nan 0.000 0.448 119 Y N 4.430 124.250 120.300 -0.800 0.000 2.357 119 Y HA 0.712 5.266 4.550 0.007 0.000 0.340 119 Y C 0.746 176.430 175.900 -0.360 0.000 1.260 119 Y CA -0.753 56.954 58.100 -0.656 0.000 1.425 119 Y CB 0.031 38.295 38.460 -0.326 0.000 1.326 119 Y HN 0.532 nan 8.280 nan 0.000 0.580 120 G N -0.875 107.877 108.800 -0.080 0.000 2.568 120 G HA2 0.492 4.456 3.960 0.007 0.000 0.293 120 G HA3 0.492 4.456 3.960 0.007 0.000 0.293 120 G C 0.268 175.084 174.900 -0.141 0.000 1.347 120 G CA -0.935 44.061 45.100 -0.175 0.000 1.039 120 G HN 1.716 nan 8.290 nan 0.000 0.523 121 G N -2.817 105.755 108.800 -0.381 0.000 2.165 121 G HA2 0.399 4.363 3.960 0.007 0.000 0.144 121 G HA3 0.399 4.363 3.960 0.007 0.000 0.144 121 G C 1.067 175.441 174.900 -0.877 0.000 1.049 121 G CA 0.724 45.490 45.100 -0.556 0.000 0.741 121 G HN 2.351 nan 8.290 nan 0.000 0.493 122 G N -0.608 107.665 108.800 -0.879 0.000 2.180 122 G HA2 -0.143 3.821 3.960 0.007 0.000 0.263 122 G HA3 -0.143 3.821 3.960 0.007 0.000 0.263 122 G C 0.928 175.502 174.900 -0.543 0.000 0.989 122 G CA 0.902 45.203 45.100 -1.330 0.000 0.692 122 G HN 1.784 nan 8.290 nan 0.000 0.526 123 F N -3.461 116.330 119.950 -0.263 0.000 2.794 123 F HA -0.307 4.224 4.527 0.007 0.000 0.335 123 F C 1.439 177.321 175.800 0.137 0.000 0.653 123 F CA 2.154 60.130 58.000 -0.040 0.000 1.266 123 F CB -2.045 36.797 39.000 -0.263 0.000 1.666 123 F HN 0.892 nan 8.300 nan 0.000 0.314 124 Y N -0.990 119.388 120.300 0.131 0.000 2.453 124 Y HA 0.666 5.220 4.550 0.007 0.000 0.247 124 Y C 0.612 176.636 175.900 0.206 0.000 1.124 124 Y CA 0.280 58.493 58.100 0.188 0.000 1.243 124 Y CB 0.042 38.561 38.460 0.098 0.000 1.213 124 Y HN 0.099 nan 8.280 nan 0.000 0.523 125 S N -0.800 114.680 115.700 -0.366 0.000 2.672 125 S HA 0.875 5.349 4.470 0.007 0.000 0.271 125 S C -0.194 174.272 174.600 -0.224 0.000 1.171 125 S CA -0.471 57.575 58.200 -0.257 0.000 0.817 125 S CB 1.463 64.446 63.200 -0.362 0.000 1.150 125 S HN 1.382 nan 8.310 nan 0.000 0.478 126 G N -0.641 108.004 108.800 -0.260 0.000 2.497 126 G HA2 0.545 4.510 3.960 0.007 0.000 0.686 126 G HA3 0.545 4.510 3.960 0.007 0.000 0.686 126 G C -0.639 173.635 174.900 -1.042 0.000 1.288 126 G CA -0.285 44.502 45.100 -0.522 0.000 0.899 126 G HN 2.308 nan 8.290 nan 0.000 0.608 127 A N -1.164 120.809 122.820 -1.412 0.000 2.565 127 A HA 0.957 5.281 4.320 0.007 0.000 0.298 127 A C 0.489 177.809 177.584 -0.440 0.000 1.062 127 A CA 0.700 52.203 52.037 -0.889 0.000 0.723 127 A CB 0.852 19.617 19.000 -0.393 0.000 1.282 127 A HN 2.605 nan 8.150 nan 0.000 0.400 128 A N 0.816 123.618 122.820 -0.029 0.000 2.235 128 A HA 0.284 4.608 4.320 0.007 0.000 0.208 128 A C 1.634 179.270 177.584 0.086 0.000 1.172 128 A CA 1.715 53.932 52.037 0.301 0.000 0.786 128 A CB -0.562 18.706 19.000 0.447 0.000 0.804 128 A HN 1.851 nan 8.150 nan 0.000 0.479 129 S N -0.779 114.753 115.700 -0.281 0.000 2.540 129 S HA 0.330 4.804 4.470 0.007 0.000 0.218 129 S C 0.487 174.662 174.600 -0.708 0.000 0.977 129 S CA -0.471 57.132 58.200 -0.995 0.000 0.918 129 S CB -0.521 62.029 63.200 -1.082 0.000 0.806 129 S HN 0.368 nan 8.310 nan 0.000 0.496 130 L N 2.275 123.264 121.223 -0.390 0.000 2.483 130 L HA 0.157 4.501 4.340 0.007 0.000 0.275 130 L C 1.200 177.778 176.870 -0.487 0.000 1.220 130 L CA -0.432 54.132 54.840 -0.460 0.000 0.833 130 L CB 0.184 41.881 42.059 -0.604 0.000 1.102 130 L HN 0.058 nan 8.230 nan 0.000 0.490 131 D N 0.924 121.060 120.400 -0.440 0.000 2.149 131 D HA -0.143 4.501 4.640 0.007 0.000 0.198 131 D C 1.981 178.010 176.300 -0.451 0.000 0.990 131 D CA 1.339 55.133 54.000 -0.343 0.000 0.839 131 D CB -0.037 40.596 40.800 -0.278 0.000 0.948 131 D HN 0.526 nan 8.370 nan 0.000 0.460 132 V N -1.462 118.029 119.914 -0.706 0.000 3.141 132 V HA -0.142 3.983 4.120 0.007 0.000 0.265 132 V C 0.919 176.385 176.094 -1.047 0.000 1.126 132 V CA 0.985 62.811 62.300 -0.789 0.000 1.141 132 V CB -1.155 30.151 31.823 -0.862 0.000 0.743 132 V HN 0.069 nan 8.190 nan 0.000 0.492 133 Y N 0.360 120.114 120.300 -0.910 0.000 2.625 133 Y HA 0.482 5.035 4.550 0.006 0.000 0.285 133 Y C 0.680 176.027 175.900 -0.922 0.000 1.168 133 Y CA -2.042 55.177 58.100 -1.469 0.000 1.250 133 Y CB -0.791 37.177 38.460 -0.819 0.000 1.130 133 Y HN 0.231 nan 8.280 nan 0.000 0.526 134 D N 0.646 120.744 120.400 -0.503 0.000 2.346 134 D HA 0.097 4.742 4.640 0.007 0.000 0.260 134 D C 1.417 177.399 176.300 -0.529 0.000 1.252 134 D CA 0.285 54.056 54.000 -0.382 0.000 0.895 134 D CB 1.292 42.021 40.800 -0.119 0.000 1.097 134 D HN 0.468 nan 8.370 nan 0.000 0.489 135 G N 3.950 111.821 108.800 -1.548 0.000 2.848 135 G HA2 -0.191 3.773 3.960 0.007 0.000 0.208 135 G HA3 -0.191 3.773 3.960 0.007 0.000 0.208 135 G C 1.455 175.818 174.900 -0.896 0.000 1.152 135 G CA 0.347 44.712 45.100 -1.224 0.000 0.789 135 G HN 0.621 nan 8.290 nan 0.000 0.531 136 R N -0.632 119.308 120.500 -0.933 0.000 2.120 136 R HA -0.001 4.343 4.340 0.007 0.000 0.234 136 R C 1.698 177.734 176.300 -0.439 0.000 1.123 136 R CA 1.304 57.077 56.100 -0.546 0.000 0.975 136 R CB -0.628 29.360 30.300 -0.520 0.000 0.866 136 R HN 0.335 nan 8.270 nan 0.000 0.446 137 F N 1.300 121.172 119.950 -0.130 0.000 2.187 137 F HA 0.095 4.627 4.527 0.007 0.000 0.295 137 F C 2.233 177.984 175.800 -0.083 0.000 1.091 137 F CA 0.605 58.551 58.000 -0.090 0.000 1.308 137 F CB -0.467 38.471 39.000 -0.104 0.000 1.030 137 F HN -0.137 nan 8.300 nan 0.000 0.487 138 L N 0.019 121.279 121.223 0.062 0.000 2.046 138 L HA -0.184 4.160 4.340 0.007 0.000 0.208 138 L C 2.749 179.630 176.870 0.019 0.000 1.077 138 L CA 1.129 55.964 54.840 -0.007 0.000 0.747 138 L CB -0.960 41.045 42.059 -0.090 0.000 0.896 138 L HN 0.182 nan 8.230 nan 0.000 0.432 139 A N -0.930 121.907 122.820 0.027 0.000 1.902 139 A HA -0.249 4.075 4.320 0.007 0.000 0.217 139 A C 2.304 179.935 177.584 0.079 0.000 1.181 139 A CA 1.699 53.789 52.037 0.089 0.000 0.623 139 A CB -0.454 18.644 19.000 0.163 0.000 0.818 139 A HN 0.402 nan 8.150 nan 0.000 0.443 140 Q N -0.351 119.478 119.800 0.049 0.000 2.089 140 Q HA -0.034 4.311 4.340 0.007 0.000 0.195 140 Q C 2.201 178.234 176.000 0.056 0.000 0.963 140 Q CA 1.805 57.641 55.803 0.054 0.000 0.834 140 Q CB -0.198 28.556 28.738 0.026 0.000 0.906 140 Q HN 0.408 nan 8.270 nan 0.000 0.452 141 V N 1.345 121.293 119.914 0.056 0.000 2.407 141 V HA -0.111 4.013 4.120 0.007 0.000 0.245 141 V C 1.810 177.922 176.094 0.030 0.000 1.041 141 V CA 1.512 63.838 62.300 0.044 0.000 1.040 141 V CB -0.164 31.687 31.823 0.046 0.000 0.671 141 V HN 0.223 nan 8.190 nan 0.000 0.455 142 E N -0.233 119.983 120.200 0.026 0.000 2.472 142 E HA 0.183 4.537 4.350 0.007 0.000 0.196 142 E C 1.747 178.366 176.600 0.031 0.000 1.033 142 E CA 0.732 57.143 56.400 0.018 0.000 0.886 142 E CB 0.433 30.134 29.700 0.003 0.000 0.944 142 E HN 0.593 nan 8.360 nan 0.000 0.492 143 G N 1.587 110.416 108.800 0.047 0.000 2.160 143 G HA2 -0.311 3.653 3.960 0.007 0.000 0.251 143 G HA3 -0.311 3.653 3.960 0.007 0.000 0.251 143 G C 0.514 175.456 174.900 0.070 0.000 1.008 143 G CA 0.400 45.538 45.100 0.062 0.000 0.724 143 G HN 0.485 nan 8.290 nan 0.000 0.514 144 A N -0.762 122.098 122.820 0.067 0.000 2.351 144 A HA 0.690 5.014 4.320 0.007 0.000 0.257 144 A C 0.551 178.211 177.584 0.126 0.000 1.087 144 A CA 0.151 52.232 52.037 0.073 0.000 0.798 144 A CB 1.106 20.129 19.000 0.039 0.000 1.033 144 A HN 1.126 nan 8.150 nan 0.000 0.488 145 V N 3.065 123.061 119.914 0.137 0.000 2.364 145 V HA 0.327 4.451 4.120 0.007 0.000 0.272 145 V C -0.017 176.204 176.094 0.211 0.000 1.036 145 V CA -0.038 62.374 62.300 0.187 0.000 0.880 145 V CB 0.648 32.574 31.823 0.172 0.000 0.991 145 V HN 0.720 nan 8.190 nan 0.000 0.460 146 L N 6.192 127.593 121.223 0.298 0.000 2.329 146 L HA 0.771 5.115 4.340 0.007 0.000 0.279 146 L C -0.889 176.262 176.870 0.469 0.000 1.014 146 L CA -0.327 54.738 54.840 0.374 0.000 0.814 146 L CB 1.919 44.196 42.059 0.364 0.000 1.257 146 L HN 0.426 nan 8.230 nan 0.000 0.424 147 V N 2.992 123.166 119.914 0.433 0.000 2.638 147 V HA 0.631 4.755 4.120 0.007 0.000 0.306 147 V C -0.582 175.768 176.094 0.427 0.000 1.052 147 V CA -0.466 62.050 62.300 0.361 0.000 0.885 147 V CB 2.082 34.038 31.823 0.221 0.000 0.999 147 V HN 0.843 nan 8.190 nan 0.000 0.424 148 S N 5.421 121.380 115.700 0.432 0.000 2.536 148 S HA 0.889 5.363 4.470 0.007 0.000 0.287 148 S C -0.785 173.978 174.600 0.273 0.000 1.101 148 S CA -0.802 57.653 58.200 0.424 0.000 0.950 148 S CB 2.259 65.838 63.200 0.632 0.000 1.056 148 S HN 0.873 nan 8.310 nan 0.000 0.481 149 M N 1.518 121.241 119.600 0.205 0.000 2.602 149 M HA 0.633 5.117 4.480 0.007 0.000 0.312 149 M C -1.652 174.871 176.300 0.371 0.000 1.181 149 M CA -0.529 54.877 55.300 0.177 0.000 0.910 149 M CB 1.222 33.754 32.600 -0.114 0.000 1.723 149 M HN 0.552 nan 8.290 nan 0.000 0.459 150 N N 2.839 121.814 118.700 0.459 0.000 2.529 150 N HA 0.534 5.278 4.740 0.007 0.000 0.278 150 N C -1.358 174.433 175.510 0.468 0.000 1.146 150 N CA 0.146 53.481 53.050 0.475 0.000 0.980 150 N CB 0.481 39.181 38.487 0.355 0.000 1.124 150 N HN 0.717 nan 8.380 nan 0.000 0.458 151 Y N -1.782 118.686 120.300 0.281 0.000 2.553 151 Y HA 0.569 5.123 4.550 0.007 0.000 0.347 151 Y C -0.067 175.957 175.900 0.206 0.000 1.019 151 Y CA -1.343 56.873 58.100 0.192 0.000 1.032 151 Y CB 0.932 39.443 38.460 0.084 0.000 1.284 151 Y HN 0.203 nan 8.280 nan 0.000 0.466 152 R N 1.837 122.464 120.500 0.212 0.000 2.590 152 R HA 0.490 4.834 4.340 0.007 0.000 0.274 152 R C -0.219 176.214 176.300 0.222 0.000 1.061 152 R CA -0.131 56.052 56.100 0.138 0.000 1.081 152 R CB 0.899 31.247 30.300 0.080 0.000 0.984 152 R HN 0.733 nan 8.270 nan 0.000 0.448 153 V N -0.161 119.928 119.914 0.291 0.000 3.181 153 V HA 0.862 4.986 4.120 0.007 0.000 0.314 153 V C 0.802 177.200 176.094 0.508 0.000 1.173 153 V CA -0.157 62.434 62.300 0.484 0.000 1.052 153 V CB 1.033 33.052 31.823 0.327 0.000 1.123 153 V HN 0.953 nan 8.190 nan 0.000 0.454 154 G N 1.508 110.640 108.800 0.554 0.000 2.581 154 G HA2 -0.326 3.638 3.960 0.007 0.000 0.291 154 G HA3 -0.326 3.638 3.960 0.007 0.000 0.291 154 G C 1.067 176.064 174.900 0.162 0.000 1.277 154 G CA 1.856 47.191 45.100 0.391 0.000 0.959 154 G HN 2.347 nan 8.290 nan 0.000 0.554 155 T N -1.777 112.581 114.554 -0.326 0.000 2.699 155 T HA -0.126 4.228 4.350 0.007 0.000 0.268 155 T C 2.131 176.657 174.700 -0.289 0.000 1.036 155 T CA 2.609 64.284 62.100 -0.707 0.000 1.147 155 T CB -0.410 67.909 68.868 -0.915 0.000 0.862 155 T HN 0.545 nan 8.240 nan 0.000 0.446 156 F N 2.146 122.126 119.950 0.051 0.000 2.216 156 F HA 0.249 4.780 4.527 0.007 0.000 0.300 156 F C 2.749 178.529 175.800 -0.034 0.000 1.085 156 F CA 0.640 58.637 58.000 -0.005 0.000 1.326 156 F CB -0.955 38.019 39.000 -0.044 0.000 1.027 156 F HN 0.366 nan 8.300 nan 0.000 0.497 157 G N -1.860 106.991 108.800 0.085 0.000 2.545 157 G HA2 -0.006 3.958 3.960 0.007 0.000 0.212 157 G HA3 -0.006 3.958 3.960 0.007 0.000 0.212 157 G C 0.928 175.341 174.900 -0.812 0.000 1.144 157 G CA 0.343 45.226 45.100 -0.362 0.000 0.813 157 G HN 0.362 nan 8.290 nan 0.000 0.531 158 F N -0.830 119.186 119.950 0.110 0.000 2.974 158 F HA 0.416 4.947 4.527 0.007 0.000 0.357 158 F C 0.447 176.298 175.800 0.085 0.000 1.114 158 F CA -0.958 57.090 58.000 0.080 0.000 1.099 158 F CB 0.281 39.335 39.000 0.091 0.000 1.205 158 F HN -0.085 nan 8.300 nan 0.000 0.535 159 L N 2.303 123.548 121.223 0.036 0.000 2.540 159 L HA 0.497 4.841 4.340 0.007 0.000 0.276 159 L C -0.065 176.759 176.870 -0.077 0.000 1.212 159 L CA 0.064 54.831 54.840 -0.121 0.000 0.893 159 L CB 0.433 42.144 42.059 -0.580 0.000 1.138 159 L HN 0.136 nan 8.230 nan 0.000 0.491 160 A N 6.194 129.013 122.820 -0.003 0.000 2.455 160 A HA 0.649 4.973 4.320 0.007 0.000 0.300 160 A C -1.119 176.438 177.584 -0.044 0.000 1.040 160 A CA -0.587 51.435 52.037 -0.025 0.000 0.697 160 A CB 1.312 20.332 19.000 0.033 0.000 1.265 160 A HN 0.706 nan 8.150 nan 0.000 0.407 161 L N 3.400 124.583 121.223 -0.067 0.000 2.426 161 L HA 0.321 4.665 4.340 0.007 0.000 0.255 161 L C -2.410 174.445 176.870 -0.025 0.000 1.080 161 L CA -1.701 53.110 54.840 -0.049 0.000 0.960 161 L CB 1.269 43.287 42.059 -0.069 0.000 1.326 161 L HN 0.402 nan 8.230 nan 0.000 0.441 162 P HA 0.042 nan 4.420 nan 0.000 0.262 162 P C 0.993 178.292 177.300 -0.002 0.000 1.182 162 P CA 0.888 63.986 63.100 -0.002 0.000 0.761 162 P CB 0.884 32.584 31.700 -0.001 0.000 0.795 163 G N 1.715 110.518 108.800 0.005 0.000 2.258 163 G HA2 -0.248 3.716 3.960 0.007 0.000 0.233 163 G HA3 -0.248 3.716 3.960 0.007 0.000 0.233 163 G C 0.485 175.388 174.900 0.005 0.000 1.006 163 G CA 0.262 45.365 45.100 0.005 0.000 0.620 163 G HN 0.804 nan 8.290 nan 0.000 0.511 164 S N -0.246 115.455 115.700 0.001 0.000 2.624 164 S HA 0.629 5.103 4.470 0.007 0.000 0.263 164 S C 1.153 175.760 174.600 0.012 0.000 1.287 164 S CA 0.514 58.715 58.200 0.002 0.000 0.990 164 S CB 1.944 65.138 63.200 -0.010 0.000 0.950 164 S HN 0.480 nan 8.310 nan 0.000 0.561 165 R N -0.210 120.299 120.500 0.016 0.000 2.175 165 R HA 0.116 4.460 4.340 0.007 0.000 0.202 165 R C 1.283 177.603 176.300 0.034 0.000 1.018 165 R CA 0.623 56.737 56.100 0.025 0.000 1.029 165 R CB -0.131 30.183 30.300 0.023 0.000 0.959 165 R HN 0.794 nan 8.270 nan 0.000 0.480 166 E N -0.304 119.916 120.200 0.033 0.000 2.371 166 E HA 0.100 4.454 4.350 0.007 0.000 0.194 166 E C -0.168 176.480 176.600 0.079 0.000 1.012 166 E CA 0.681 57.114 56.400 0.055 0.000 0.860 166 E CB 0.946 30.676 29.700 0.050 0.000 0.811 166 E HN 0.232 nan 8.360 nan 0.000 0.502 167 A N 0.893 123.733 122.820 0.033 0.000 3.307 167 A HA 0.267 4.591 4.320 0.007 0.000 0.289 167 A C -2.228 175.356 177.584 -0.001 0.000 1.138 167 A CA -0.883 51.161 52.037 0.013 0.000 0.860 167 A CB 0.497 19.418 19.000 -0.133 0.000 1.318 167 A HN -0.081 nan 8.150 nan 0.000 0.551 168 P HA 0.188 nan 4.420 nan 0.000 0.231 168 P C 0.903 178.218 177.300 0.025 0.000 1.168 168 P CA 1.693 64.808 63.100 0.026 0.000 0.779 168 P CB 0.261 31.986 31.700 0.041 0.000 0.844 169 G N 0.724 109.535 108.800 0.020 0.000 2.663 169 G HA2 -0.168 3.796 3.960 0.007 0.000 0.686 169 G HA3 -0.168 3.796 3.960 0.007 0.000 0.686 169 G C -0.211 174.685 174.900 -0.005 0.000 1.288 169 G CA -0.340 44.773 45.100 0.023 0.000 0.836 169 G HN 0.128 nan 8.290 nan 0.000 0.584 170 N N -2.202 116.496 118.700 -0.003 0.000 2.693 170 N HA -0.272 4.472 4.740 0.007 0.000 0.249 170 N C 1.809 177.184 175.510 -0.226 0.000 1.119 170 N CA 2.207 55.194 53.050 -0.106 0.000 0.717 170 N CB -1.580 36.756 38.487 -0.251 0.000 1.071 170 N HN 1.900 nan 8.380 nan 0.000 0.555 171 V N -3.119 116.651 119.914 -0.240 0.000 2.809 171 V HA 0.080 4.204 4.120 0.007 0.000 0.256 171 V C 2.259 178.224 176.094 -0.214 0.000 1.080 171 V CA 2.037 64.239 62.300 -0.163 0.000 1.102 171 V CB -0.630 31.146 31.823 -0.078 0.000 0.705 171 V HN 0.257 nan 8.190 nan 0.000 0.475 172 G N 0.528 109.010 108.800 -0.530 0.000 2.422 172 G HA2 -0.117 3.847 3.960 0.007 0.000 0.218 172 G HA3 -0.117 3.847 3.960 0.007 0.000 0.218 172 G C 1.520 176.398 174.900 -0.036 0.000 1.140 172 G CA 1.105 46.026 45.100 -0.297 0.000 0.775 172 G HN 0.531 nan 8.290 nan 0.000 0.545 173 L N -0.155 120.994 121.223 -0.123 0.000 2.072 173 L HA 0.077 4.421 4.340 0.007 0.000 0.205 173 L C 2.825 179.716 176.870 0.036 0.000 1.079 173 L CA 0.403 55.132 54.840 -0.185 0.000 0.752 173 L CB -0.320 41.295 42.059 -0.739 0.000 0.906 173 L HN 0.170 nan 8.230 nan 0.000 0.436 174 L N -0.413 120.830 121.223 0.033 0.000 2.131 174 L HA -0.218 4.126 4.340 0.007 0.000 0.210 174 L C 2.190 179.178 176.870 0.197 0.000 1.092 174 L CA 0.893 55.843 54.840 0.185 0.000 0.759 174 L CB -0.650 41.493 42.059 0.139 0.000 0.903 174 L HN 0.312 nan 8.230 nan 0.000 0.435 175 D N -0.025 120.480 120.400 0.174 0.000 2.097 175 D HA -0.205 4.439 4.640 0.007 0.000 0.195 175 D C 2.255 178.733 176.300 0.297 0.000 0.989 175 D CA 1.197 55.379 54.000 0.303 0.000 0.827 175 D CB -0.257 40.732 40.800 0.316 0.000 0.966 175 D HN 0.396 nan 8.370 nan 0.000 0.456 176 Q N 0.122 120.021 119.800 0.165 0.000 2.096 176 Q HA -0.133 4.211 4.340 0.007 0.000 0.204 176 Q C 2.278 178.286 176.000 0.014 0.000 0.982 176 Q CA 1.065 56.889 55.803 0.036 0.000 0.850 176 Q CB -0.072 28.667 28.738 0.002 0.000 0.901 176 Q HN 0.203 nan 8.270 nan 0.000 0.422 177 R N 0.521 121.127 120.500 0.178 0.000 2.092 177 R HA -0.151 4.193 4.340 0.007 0.000 0.231 177 R C 2.164 178.534 176.300 0.116 0.000 1.119 177 R CA 0.834 57.020 56.100 0.145 0.000 0.970 177 R CB -0.162 30.326 30.300 0.314 0.000 0.864 177 R HN 0.221 nan 8.270 nan 0.000 0.440 178 L N 0.784 122.113 121.223 0.177 0.000 2.046 178 L HA -0.039 4.305 4.340 0.007 0.000 0.208 178 L C 2.216 179.172 176.870 0.144 0.000 1.077 178 L CA 2.139 57.116 54.840 0.228 0.000 0.747 178 L CB -0.688 41.591 42.059 0.367 0.000 0.896 178 L HN 0.240 nan 8.230 nan 0.000 0.432 179 A N -0.749 121.974 122.820 -0.161 0.000 1.969 179 A HA -0.101 4.223 4.320 0.007 0.000 0.218 179 A C 2.204 179.733 177.584 -0.091 0.000 1.169 179 A CA 1.590 53.338 52.037 -0.481 0.000 0.635 179 A CB -0.723 17.672 19.000 -1.010 0.000 0.810 179 A HN 0.504 nan 8.150 nan 0.000 0.445 180 L N -0.957 120.232 121.223 -0.056 0.000 2.093 180 L HA -0.239 4.105 4.340 0.007 0.000 0.208 180 L C 2.789 179.712 176.870 0.088 0.000 1.085 180 L CA 1.507 56.353 54.840 0.009 0.000 0.755 180 L CB -0.849 41.177 42.059 -0.056 0.000 0.904 180 L HN 0.501 nan 8.230 nan 0.000 0.435 181 Q N -0.868 118.997 119.800 0.108 0.000 2.084 181 Q HA -0.260 4.084 4.340 0.007 0.000 0.202 181 Q C 2.051 178.143 176.000 0.154 0.000 0.978 181 Q CA 1.994 57.869 55.803 0.120 0.000 0.844 181 Q CB -0.327 28.486 28.738 0.126 0.000 0.898 181 Q HN 0.523 nan 8.270 nan 0.000 0.426 182 W N 0.718 122.037 121.300 0.032 0.000 2.325 182 W HA -0.250 4.414 4.660 0.006 0.000 0.299 182 W C 1.860 178.407 176.519 0.046 0.000 1.215 182 W CA 1.451 58.828 57.345 0.053 0.000 1.244 182 W CB -0.062 29.426 29.460 0.048 0.000 1.140 182 W HN -0.128 nan 8.180 nan 0.000 0.523 183 V N 0.601 120.715 119.914 0.333 0.000 2.307 183 V HA -0.333 3.791 4.120 0.007 0.000 0.245 183 V C 2.552 178.669 176.094 0.039 0.000 1.045 183 V CA 1.988 64.413 62.300 0.208 0.000 1.024 183 V CB -1.061 30.897 31.823 0.225 0.000 0.651 183 V HN 0.168 nan 8.190 nan 0.000 0.449 184 Q N 0.131 119.960 119.800 0.047 0.000 2.045 184 Q HA -0.290 4.054 4.340 0.007 0.000 0.206 184 Q C 2.287 178.259 176.000 -0.046 0.000 0.991 184 Q CA 2.481 58.295 55.803 0.019 0.000 0.851 184 Q CB -0.462 28.293 28.738 0.029 0.000 0.911 184 Q HN 0.856 nan 8.270 nan 0.000 0.418 185 E N -0.131 120.008 120.200 -0.102 0.000 2.106 185 E HA -0.118 4.236 4.350 0.007 0.000 0.192 185 E C 1.328 177.779 176.600 -0.248 0.000 0.984 185 E CA 1.227 57.532 56.400 -0.158 0.000 0.806 185 E CB 0.170 29.777 29.700 -0.156 0.000 0.750 185 E HN 0.293 nan 8.360 nan 0.000 0.458 186 N N -0.265 118.189 118.700 -0.410 0.000 2.397 186 N HA -0.004 4.740 4.740 0.007 0.000 0.190 186 N C 1.547 176.935 175.510 -0.204 0.000 1.099 186 N CA 0.184 52.926 53.050 -0.513 0.000 0.876 186 N CB 0.142 37.880 38.487 -1.247 0.000 1.143 186 N HN 0.147 nan 8.380 nan 0.000 0.468 187 I N 2.413 122.930 120.570 -0.089 0.000 2.567 187 I HA -0.126 4.048 4.170 0.007 0.000 0.257 187 I C 2.078 178.307 176.117 0.186 0.000 1.184 187 I CA 0.474 61.867 61.300 0.156 0.000 1.451 187 I CB -0.215 37.861 38.000 0.127 0.000 1.089 187 I HN 0.052 nan 8.210 nan 0.000 0.441 188 A N 0.108 122.961 122.820 0.056 0.000 2.015 188 A HA -0.032 4.292 4.320 0.007 0.000 0.219 188 A C 2.449 180.023 177.584 -0.016 0.000 1.163 188 A CA 1.309 53.360 52.037 0.024 0.000 0.646 188 A CB -0.946 18.044 19.000 -0.017 0.000 0.806 188 A HN 0.452 nan 8.150 nan 0.000 0.448 189 A N -1.536 121.233 122.820 -0.086 0.000 2.125 189 A HA 0.096 4.420 4.320 0.007 0.000 0.219 189 A C 1.492 178.822 177.584 -0.422 0.000 1.156 189 A CA 1.117 52.980 52.037 -0.289 0.000 0.671 189 A CB -0.609 18.119 19.000 -0.453 0.000 0.794 189 A HN 0.502 nan 8.150 nan 0.000 0.459 190 F N -1.771 118.137 119.950 -0.071 0.000 2.678 190 F HA 0.387 4.919 4.527 0.007 0.000 0.305 190 F C 1.787 177.600 175.800 0.023 0.000 1.090 190 F CA 0.556 58.535 58.000 -0.035 0.000 1.272 190 F CB 0.489 39.482 39.000 -0.012 0.000 1.060 190 F HN 0.319 nan 8.300 nan 0.000 0.576 191 G N 0.227 109.112 108.800 0.142 0.000 2.176 191 G HA2 -0.181 3.783 3.960 0.007 0.000 0.232 191 G HA3 -0.181 3.783 3.960 0.007 0.000 0.232 191 G C 0.673 175.639 174.900 0.110 0.000 0.986 191 G CA -0.305 44.856 45.100 0.102 0.000 0.643 191 G HN 0.695 nan 8.290 nan 0.000 0.522 192 G N -0.379 108.508 108.800 0.145 0.000 2.503 192 G HA2 0.460 4.424 3.960 0.007 0.000 0.257 192 G HA3 0.460 4.424 3.960 0.007 0.000 0.257 192 G C -0.712 174.235 174.900 0.079 0.000 1.214 192 G CA 0.351 45.523 45.100 0.119 0.000 0.839 192 G HN 0.211 nan 8.290 nan 0.000 0.559 193 D N 1.338 121.774 120.400 0.060 0.000 2.396 193 D HA 0.286 4.930 4.640 0.007 0.000 0.225 193 D C -1.165 175.162 176.300 0.045 0.000 1.121 193 D CA -2.365 51.654 54.000 0.031 0.000 0.853 193 D CB 1.946 42.746 40.800 0.000 0.000 1.043 193 D HN 0.041 nan 8.370 nan 0.000 0.500 194 P HA -0.068 nan 4.420 nan 0.000 0.226 194 P C 1.258 178.640 177.300 0.137 0.000 1.153 194 P CA 0.600 63.756 63.100 0.092 0.000 0.777 194 P CB 0.264 32.000 31.700 0.061 0.000 0.794 195 M N -1.237 118.374 119.600 0.018 0.000 2.561 195 M HA 0.075 4.559 4.480 0.007 0.000 0.238 195 M C 0.550 176.523 176.300 -0.546 0.000 1.131 195 M CA 0.486 55.699 55.300 -0.145 0.000 1.046 195 M CB 0.179 32.712 32.600 -0.112 0.000 1.532 195 M HN -0.219 nan 8.290 nan 0.000 0.497 196 S N 0.610 116.161 115.700 -0.248 0.000 2.389 196 S HA 0.465 4.939 4.470 0.007 0.000 0.201 196 S C -1.112 173.519 174.600 0.052 0.000 1.422 196 S CA -0.576 57.495 58.200 -0.214 0.000 1.216 196 S CB 0.511 63.622 63.200 -0.148 0.000 1.130 196 S HN -0.042 nan 8.310 nan 0.000 0.465 197 V N 4.197 124.290 119.914 0.299 0.000 2.444 197 V HA 0.547 4.671 4.120 0.007 0.000 0.294 197 V C -0.138 176.144 176.094 0.313 0.000 1.022 197 V CA -0.485 61.996 62.300 0.303 0.000 0.850 197 V CB 1.997 34.013 31.823 0.321 0.000 0.992 197 V HN 0.735 nan 8.190 nan 0.000 0.426 198 T N 6.515 121.199 114.554 0.216 0.000 2.770 198 T HA 0.594 4.948 4.350 0.007 0.000 0.283 198 T C -0.206 174.634 174.700 0.233 0.000 0.988 198 T CA -0.353 61.877 62.100 0.217 0.000 0.957 198 T CB 0.873 69.817 68.868 0.127 0.000 0.930 198 T HN 0.343 nan 8.240 nan 0.000 0.443 199 L N 4.614 125.949 121.223 0.185 0.000 2.371 199 L HA 0.674 5.018 4.340 0.007 0.000 0.272 199 L C -0.323 176.756 176.870 0.348 0.000 1.124 199 L CA -0.722 54.201 54.840 0.139 0.000 0.816 199 L CB 0.250 42.180 42.059 -0.215 0.000 1.129 199 L HN 0.637 nan 8.230 nan 0.000 0.448 200 F N 0.280 120.296 119.950 0.110 0.000 2.619 200 F HA 0.929 5.460 4.527 0.006 0.000 0.308 200 F C -0.425 175.388 175.800 0.021 0.000 1.097 200 F CA -1.397 56.720 58.000 0.195 0.000 0.953 200 F CB 1.539 40.783 39.000 0.407 0.000 1.287 200 F HN 0.480 nan 8.300 nan 0.000 0.446 201 G N 1.568 110.252 108.800 -0.193 0.000 2.632 201 G HA2 0.483 4.447 3.960 0.007 0.000 0.292 201 G HA3 0.483 4.447 3.960 0.007 0.000 0.292 201 G C -2.567 172.133 174.900 -0.335 0.000 1.465 201 G CA -0.786 43.825 45.100 -0.816 0.000 0.824 201 G HN 0.874 nan 8.290 nan 0.000 0.509 202 E N 0.351 120.309 120.200 -0.403 0.000 2.227 202 E HA 0.664 5.018 4.350 0.007 0.000 0.268 202 E C 0.831 177.364 176.600 -0.111 0.000 0.907 202 E CA 0.591 56.968 56.400 -0.039 0.000 0.786 202 E CB 2.047 31.855 29.700 0.180 0.000 1.191 202 E HN 1.788 nan 8.360 nan 0.000 0.411 203 A N 3.099 125.921 122.820 0.004 0.000 5.295 203 A HA -0.373 3.951 4.320 0.007 0.000 0.313 203 A C 1.565 179.225 177.584 0.127 0.000 1.912 203 A CA 2.029 54.127 52.037 0.101 0.000 0.714 203 A CB -2.150 16.820 19.000 -0.051 0.000 1.319 203 A HN 1.231 nan 8.150 nan 0.000 0.375 204 A N -0.989 121.781 122.820 -0.084 0.000 2.131 204 A HA 0.253 4.577 4.320 0.007 0.000 0.220 204 A C 2.673 180.000 177.584 -0.429 0.000 1.158 204 A CA 2.286 54.108 52.037 -0.359 0.000 0.665 204 A CB -1.434 16.892 19.000 -1.123 0.000 0.795 204 A HN 2.326 nan 8.150 nan 0.000 0.460 205 G N -0.473 108.118 108.800 -0.349 0.000 2.394 205 G HA2 0.058 4.022 3.960 0.007 0.000 0.214 205 G HA3 0.058 4.022 3.960 0.007 0.000 0.214 205 G C 1.764 176.487 174.900 -0.295 0.000 1.176 205 G CA 1.163 46.004 45.100 -0.432 0.000 0.786 205 G HN 0.734 nan 8.290 nan 0.000 0.533 206 A N 1.327 124.045 122.820 -0.170 0.000 1.892 206 A HA 0.153 4.477 4.320 0.007 0.000 0.218 206 A C 2.812 180.378 177.584 -0.030 0.000 1.188 206 A CA 2.537 54.543 52.037 -0.053 0.000 0.631 206 A CB -0.873 18.156 19.000 0.048 0.000 0.822 206 A HN 0.833 nan 8.150 nan 0.000 0.447 207 A N -0.737 122.088 122.820 0.008 0.000 1.933 207 A HA -0.040 4.284 4.320 0.007 0.000 0.218 207 A C 2.428 180.009 177.584 -0.004 0.000 1.175 207 A CA 1.989 54.023 52.037 -0.004 0.000 0.628 207 A CB -0.829 18.179 19.000 0.013 0.000 0.814 207 A HN 0.467 nan 8.150 nan 0.000 0.444 208 S N -0.316 115.378 115.700 -0.010 0.000 2.370 208 S HA -0.150 4.324 4.470 0.007 0.000 0.226 208 S C 1.901 176.455 174.600 -0.077 0.000 1.033 208 S CA 1.448 59.600 58.200 -0.080 0.000 1.011 208 S CB -0.556 62.538 63.200 -0.176 0.000 0.852 208 S HN 0.350 nan 8.310 nan 0.000 0.457 209 V N 1.761 121.639 119.914 -0.060 0.000 2.287 209 V HA -0.205 3.919 4.120 0.007 0.000 0.248 209 V C 2.656 178.741 176.094 -0.015 0.000 1.053 209 V CA 2.073 64.346 62.300 -0.046 0.000 1.027 209 V CB -1.546 30.232 31.823 -0.075 0.000 0.646 209 V HN 0.604 nan 8.190 nan 0.000 0.447 210 G N -1.069 107.720 108.800 -0.019 0.000 2.442 210 G HA2 -0.299 3.665 3.960 0.007 0.000 0.219 210 G HA3 -0.299 3.665 3.960 0.007 0.000 0.219 210 G C 1.618 176.533 174.900 0.024 0.000 1.141 210 G CA 1.183 46.280 45.100 -0.005 0.000 0.763 210 G HN 0.456 nan 8.290 nan 0.000 0.554 211 M N -0.510 119.083 119.600 -0.013 0.000 2.319 211 M HA 0.054 4.538 4.480 0.007 0.000 0.265 211 M C 2.178 178.536 176.300 0.096 0.000 1.068 211 M CA 0.987 56.305 55.300 0.030 0.000 1.118 211 M CB -0.130 32.458 32.600 -0.021 0.000 1.395 211 M HN 0.345 nan 8.290 nan 0.000 0.435 212 H N -0.304 118.865 119.070 0.165 0.000 2.423 212 H HA -0.018 4.542 4.556 0.006 0.000 0.297 212 H C 1.913 177.425 175.328 0.305 0.000 1.075 212 H CA 1.299 57.452 56.048 0.174 0.000 1.342 212 H CB 0.000 29.741 29.762 -0.036 0.000 1.395 212 H HN 0.318 nan 8.280 nan 0.000 0.530 213 I N 0.350 121.154 120.570 0.389 0.000 2.394 213 I HA -0.214 3.960 4.170 0.007 0.000 0.251 213 I C 1.267 177.568 176.117 0.306 0.000 1.136 213 I CA 1.195 62.754 61.300 0.431 0.000 1.425 213 I CB -0.039 38.137 38.000 0.293 0.000 1.079 213 I HN 0.278 nan 8.210 nan 0.000 0.425 214 L N -0.894 120.457 121.223 0.213 0.000 2.607 214 L HA 0.138 4.482 4.340 0.007 0.000 0.228 214 L C 0.939 177.850 176.870 0.068 0.000 1.123 214 L CA 0.036 54.976 54.840 0.166 0.000 0.890 214 L CB 0.129 42.269 42.059 0.135 0.000 1.103 214 L HN -0.007 nan 8.230 nan 0.000 0.468 215 S N -0.074 115.637 115.700 0.018 0.000 2.474 215 S HA 0.308 4.782 4.470 0.007 0.000 0.321 215 S C 0.851 175.372 174.600 -0.131 0.000 1.080 215 S CA -0.566 57.525 58.200 -0.182 0.000 1.106 215 S CB 1.375 64.202 63.200 -0.623 0.000 0.984 215 S HN 0.193 nan 8.310 nan 0.000 0.464 216 L N 6.341 127.490 121.223 -0.123 0.000 1.990 216 L HA -0.011 4.333 4.340 0.007 0.000 0.213 216 L C -0.857 175.965 176.870 -0.081 0.000 1.072 216 L CA 1.767 56.556 54.840 -0.084 0.000 0.755 216 L CB -0.715 41.296 42.059 -0.080 0.000 0.889 216 L HN 0.529 nan 8.230 nan 0.000 0.432 217 P HA -0.080 nan 4.420 nan 0.000 0.228 217 P C 1.337 178.627 177.300 -0.017 0.000 1.151 217 P CA 1.048 64.109 63.100 -0.066 0.000 0.770 217 P CB 0.128 31.783 31.700 -0.075 0.000 0.786 218 S N -1.018 114.692 115.700 0.016 0.000 2.439 218 S HA 0.034 4.508 4.470 0.007 0.000 0.224 218 S C 1.847 176.547 174.600 0.167 0.000 1.029 218 S CA 0.261 58.562 58.200 0.170 0.000 0.946 218 S CB -0.293 63.133 63.200 0.377 0.000 0.797 218 S HN 0.042 nan 8.310 nan 0.000 0.504 219 R N 2.114 122.627 120.500 0.022 0.000 2.159 219 R HA -0.026 4.318 4.340 0.007 0.000 0.237 219 R C 2.178 178.254 176.300 -0.374 0.000 1.131 219 R CA 1.373 57.335 56.100 -0.230 0.000 0.982 219 R CB -1.074 29.135 30.300 -0.153 0.000 0.868 219 R HN 0.558 nan 8.270 nan 0.000 0.453 220 S N -0.543 115.039 115.700 -0.198 0.000 2.631 220 S HA 0.109 4.583 4.470 0.007 0.000 0.217 220 S C 1.547 176.037 174.600 -0.183 0.000 0.958 220 S CA 0.012 58.096 58.200 -0.194 0.000 0.920 220 S CB -0.064 63.074 63.200 -0.102 0.000 0.776 220 S HN 0.225 nan 8.310 nan 0.000 0.517 221 L N 0.369 121.511 121.223 -0.134 0.000 2.766 221 L HA 0.508 4.852 4.340 0.007 0.000 0.242 221 L C -0.074 176.833 176.870 0.060 0.000 1.136 221 L CA -0.348 54.492 54.840 0.001 0.000 0.933 221 L CB 0.077 42.198 42.059 0.102 0.000 1.241 221 L HN 0.529 nan 8.230 nan 0.000 0.522 222 F N -4.048 115.729 119.950 -0.288 0.000 2.713 222 F HA 0.455 4.986 4.527 0.006 0.000 0.311 222 F C 0.157 175.677 175.800 -0.467 0.000 1.141 222 F CA -1.013 56.822 58.000 -0.274 0.000 0.939 222 F CB 0.893 39.853 39.000 -0.067 0.000 1.325 222 F HN -0.128 nan 8.300 nan 0.000 0.453 223 H N -0.956 118.162 119.070 0.081 0.000 2.927 223 H HA 0.519 5.079 4.556 0.006 0.000 0.255 223 H C -0.199 175.161 175.328 0.053 0.000 0.974 223 H CA -0.122 55.900 56.048 -0.043 0.000 1.199 223 H CB 0.635 30.377 29.762 -0.034 0.000 1.447 223 H HN 0.411 nan 8.280 nan 0.000 0.467 224 R N 0.098 120.796 120.500 0.329 0.000 2.774 224 R HA 0.798 5.142 4.340 0.007 0.000 0.272 224 R C -1.525 175.027 176.300 0.420 0.000 1.000 224 R CA -0.869 55.392 56.100 0.268 0.000 0.906 224 R CB 2.626 32.900 30.300 -0.044 0.000 1.227 224 R HN 0.171 nan 8.270 nan 0.000 0.468 225 A N 1.280 124.363 122.820 0.438 0.000 2.455 225 A HA 0.666 4.990 4.320 0.007 0.000 0.300 225 A C -1.405 176.342 177.584 0.271 0.000 1.040 225 A CA -0.596 51.634 52.037 0.322 0.000 0.697 225 A CB 1.845 20.999 19.000 0.257 0.000 1.265 225 A HN 0.321 nan 8.150 nan 0.000 0.407 226 V N 2.515 122.549 119.914 0.199 0.000 2.487 226 V HA 0.491 4.615 4.120 0.007 0.000 0.298 226 V C -1.093 175.098 176.094 0.162 0.000 1.028 226 V CA -0.311 62.046 62.300 0.094 0.000 0.860 226 V CB 1.289 33.169 31.823 0.094 0.000 0.991 226 V HN 0.695 nan 8.190 nan 0.000 0.427 227 L N 5.344 126.634 121.223 0.112 0.000 2.318 227 L HA 0.507 4.851 4.340 0.007 0.000 0.277 227 L C 0.025 177.004 176.870 0.181 0.000 1.008 227 L CA 0.052 54.958 54.840 0.110 0.000 0.846 227 L CB 1.486 43.565 42.059 0.033 0.000 1.220 227 L HN 0.617 nan 8.230 nan 0.000 0.423 228 Q N 2.006 121.962 119.800 0.260 0.000 2.331 228 Q HA 0.424 4.768 4.340 0.007 0.000 0.257 228 Q C 0.183 176.322 176.000 0.232 0.000 0.957 228 Q CA -0.512 55.503 55.803 0.353 0.000 0.923 228 Q CB 1.221 30.251 28.738 0.487 0.000 1.212 228 Q HN 0.618 nan 8.270 nan 0.000 0.443 229 S N 1.048 116.873 115.700 0.208 0.000 3.631 229 S HA -0.163 4.311 4.470 0.007 0.000 0.366 229 S C 0.041 174.820 174.600 0.299 0.000 0.993 229 S CA 0.524 58.868 58.200 0.240 0.000 1.167 229 S CB -1.218 62.150 63.200 0.281 0.000 0.909 229 S HN 0.999 nan 8.310 nan 0.000 0.478 230 G N -0.435 108.498 108.800 0.223 0.000 2.556 230 G HA2 0.654 4.618 3.960 0.007 0.000 0.294 230 G HA3 0.654 4.618 3.960 0.007 0.000 0.294 230 G C -0.935 174.032 174.900 0.111 0.000 1.516 230 G CA 0.200 45.474 45.100 0.289 0.000 0.824 230 G HN 1.069 nan 8.290 nan 0.000 0.535 231 T N -1.240 113.328 114.554 0.024 0.000 2.932 231 T HA 0.712 5.066 4.350 0.007 0.000 0.318 231 T C -2.342 172.217 174.700 -0.235 0.000 1.265 231 T CA -1.191 60.844 62.100 -0.108 0.000 1.036 231 T CB 2.982 71.772 68.868 -0.130 0.000 1.209 231 T HN 0.290 nan 8.240 nan 0.000 0.484 232 P HA -0.044 nan 4.420 nan 0.000 0.219 232 P C 0.351 177.493 177.300 -0.263 0.000 1.150 232 P CA 0.788 63.767 63.100 -0.203 0.000 0.814 232 P CB -0.118 31.516 31.700 -0.110 0.000 0.787 233 N N 0.626 119.187 118.700 -0.231 0.000 2.381 233 N HA 0.314 5.058 4.740 0.007 0.000 0.254 233 N C 0.747 176.050 175.510 -0.345 0.000 1.264 233 N CA 0.596 53.505 53.050 -0.235 0.000 0.942 233 N CB 0.400 38.792 38.487 -0.158 0.000 1.190 233 N HN 0.221 nan 8.380 nan 0.000 0.495 234 G N -0.756 107.854 108.800 -0.317 0.000 2.462 234 G HA2 -0.093 3.871 3.960 0.007 0.000 0.685 234 G HA3 -0.093 3.871 3.960 0.007 0.000 0.685 234 G C -2.470 172.184 174.900 -0.409 0.000 1.295 234 G CA -0.275 44.587 45.100 -0.395 0.000 0.941 234 G HN 0.518 nan 8.290 nan 0.000 0.554 235 P HA 0.172 nan 4.420 nan 0.000 0.240 235 P C 1.426 178.656 177.300 -0.118 0.000 1.190 235 P CA 1.715 64.678 63.100 -0.228 0.000 0.781 235 P CB -0.022 31.541 31.700 -0.229 0.000 0.931 236 W N -1.746 119.454 121.300 -0.167 0.000 2.873 236 W HA 0.572 5.235 4.660 0.005 0.000 0.282 236 W C 1.034 177.603 176.519 0.084 0.000 1.118 236 W CA 0.448 57.766 57.345 -0.046 0.000 1.480 236 W CB -0.835 28.628 29.460 0.006 0.000 0.954 236 W HN -0.172 nan 8.180 nan 0.000 0.591 237 A N 1.932 124.385 122.820 -0.612 0.000 2.067 237 A HA 0.130 4.454 4.320 0.007 0.000 0.217 237 A C 1.155 178.558 177.584 -0.301 0.000 1.156 237 A CA 1.851 53.583 52.037 -0.508 0.000 0.683 237 A CB -0.786 17.666 19.000 -0.913 0.000 0.808 237 A HN 0.241 nan 8.150 nan 0.000 0.455 238 T N -3.259 111.139 114.554 -0.261 0.000 2.883 238 T HA 0.621 4.975 4.350 0.007 0.000 0.296 238 T C -0.689 173.921 174.700 -0.151 0.000 1.117 238 T CA -0.123 61.845 62.100 -0.221 0.000 1.006 238 T CB 1.459 70.209 68.868 -0.197 0.000 1.191 238 T HN 0.908 nan 8.240 nan 0.000 0.508 239 V N -1.345 118.491 119.914 -0.130 0.000 3.007 239 V HA 0.885 5.009 4.120 0.007 0.000 0.311 239 V C 0.235 176.284 176.094 -0.075 0.000 1.120 239 V CA -0.944 61.299 62.300 -0.096 0.000 0.980 239 V CB 1.366 33.132 31.823 -0.095 0.000 1.033 239 V HN 1.369 nan 8.190 nan 0.000 0.429 240 S N 1.966 117.629 115.700 -0.061 0.000 2.584 240 S HA 0.533 5.008 4.470 0.007 0.000 0.270 240 S C 1.479 176.057 174.600 -0.037 0.000 1.346 240 S CA 0.118 58.290 58.200 -0.046 0.000 1.018 240 S CB 1.134 64.309 63.200 -0.041 0.000 0.899 240 S HN 1.994 nan 8.310 nan 0.000 0.542 241 A N 2.353 125.158 122.820 -0.026 0.000 1.892 241 A HA 0.034 4.358 4.320 0.007 0.000 0.218 241 A C 2.260 179.832 177.584 -0.020 0.000 1.188 241 A CA 1.981 54.007 52.037 -0.018 0.000 0.631 241 A CB -1.911 17.082 19.000 -0.011 0.000 0.822 241 A HN 1.186 nan 8.150 nan 0.000 0.447 242 G N -0.641 108.146 108.800 -0.023 0.000 2.440 242 G HA2 -0.251 3.713 3.960 0.007 0.000 0.218 242 G HA3 -0.251 3.713 3.960 0.007 0.000 0.218 242 G C 1.481 176.363 174.900 -0.029 0.000 1.154 242 G CA 1.436 46.522 45.100 -0.023 0.000 0.767 242 G HN 0.606 nan 8.290 nan 0.000 0.552 243 E N 0.843 121.020 120.200 -0.038 0.000 2.152 243 E HA 0.164 4.519 4.350 0.007 0.000 0.192 243 E C 2.593 179.159 176.600 -0.057 0.000 0.983 243 E CA 1.250 57.620 56.400 -0.050 0.000 0.818 243 E CB -0.466 29.198 29.700 -0.060 0.000 0.758 243 E HN 0.268 nan 8.360 nan 0.000 0.467 244 A N 0.870 123.664 122.820 -0.043 0.000 1.930 244 A HA -0.141 4.183 4.320 0.007 0.000 0.217 244 A C 2.275 179.858 177.584 -0.000 0.000 1.175 244 A CA 1.598 53.623 52.037 -0.022 0.000 0.627 244 A CB -0.563 18.438 19.000 0.000 0.000 0.815 244 A HN 0.263 nan 8.150 nan 0.000 0.443 245 R N -0.585 119.909 120.500 -0.011 0.000 2.081 245 R HA -0.103 4.241 4.340 0.007 0.000 0.235 245 R C 2.442 178.735 176.300 -0.012 0.000 1.131 245 R CA 1.460 57.553 56.100 -0.012 0.000 0.960 245 R CB -0.313 29.977 30.300 -0.016 0.000 0.856 245 R HN 0.489 nan 8.270 nan 0.000 0.436 246 R N 0.441 120.928 120.500 -0.020 0.000 2.083 246 R HA -0.135 4.209 4.340 0.007 0.000 0.237 246 R C 2.253 178.542 176.300 -0.019 0.000 1.137 246 R CA 1.903 57.990 56.100 -0.022 0.000 0.951 246 R CB -0.101 30.181 30.300 -0.031 0.000 0.851 246 R HN 0.267 nan 8.270 nan 0.000 0.434 247 R N -0.407 120.069 120.500 -0.040 0.000 2.092 247 R HA -0.044 4.300 4.340 0.007 0.000 0.231 247 R C 2.308 178.659 176.300 0.085 0.000 1.119 247 R CA 1.218 57.282 56.100 -0.059 0.000 0.970 247 R CB -0.256 29.888 30.300 -0.260 0.000 0.864 247 R HN 0.238 nan 8.270 nan 0.000 0.440 248 A N 0.684 123.578 122.820 0.123 0.000 1.898 248 A HA -0.185 4.139 4.320 0.007 0.000 0.216 248 A C 2.295 179.894 177.584 0.024 0.000 1.181 248 A CA 2.068 54.174 52.037 0.115 0.000 0.620 248 A CB -0.914 18.099 19.000 0.022 0.000 0.819 248 A HN 0.475 nan 8.150 nan 0.000 0.442 249 T N -2.105 112.452 114.554 0.005 0.000 2.904 249 T HA -0.073 4.281 4.350 0.007 0.000 0.267 249 T C 1.784 176.486 174.700 0.002 0.000 1.059 249 T CA 1.395 63.489 62.100 -0.011 0.000 1.137 249 T CB -0.383 68.475 68.868 -0.016 0.000 0.879 249 T HN 0.165 nan 8.240 nan 0.000 0.467 250 L N 0.807 122.041 121.223 0.019 0.000 1.994 250 L HA 0.171 4.515 4.340 0.007 0.000 0.208 250 L C 2.421 179.317 176.870 0.043 0.000 1.071 250 L CA 1.681 56.538 54.840 0.029 0.000 0.745 250 L CB -1.198 40.880 42.059 0.031 0.000 0.892 250 L HN 0.371 nan 8.230 nan 0.000 0.431 251 L N -0.281 120.991 121.223 0.081 0.000 2.013 251 L HA -0.231 4.114 4.340 0.007 0.000 0.212 251 L C 2.517 179.384 176.870 -0.005 0.000 1.073 251 L CA 2.199 57.089 54.840 0.083 0.000 0.753 251 L CB -0.872 41.282 42.059 0.158 0.000 0.890 251 L HN 0.339 nan 8.230 nan 0.000 0.432 252 A N -0.512 122.295 122.820 -0.021 0.000 1.865 252 A HA -0.279 4.045 4.320 0.007 0.000 0.217 252 A C 2.403 179.962 177.584 -0.042 0.000 1.191 252 A CA 2.120 54.131 52.037 -0.043 0.000 0.623 252 A CB -0.677 18.295 19.000 -0.047 0.000 0.826 252 A HN 0.504 nan 8.150 nan 0.000 0.444 253 R N -0.686 119.797 120.500 -0.028 0.000 2.094 253 R HA -0.131 4.213 4.340 0.007 0.000 0.239 253 R C 2.091 178.362 176.300 -0.048 0.000 1.137 253 R CA 1.766 57.850 56.100 -0.026 0.000 0.943 253 R CB -0.622 29.672 30.300 -0.009 0.000 0.850 253 R HN 0.554 nan 8.270 nan 0.000 0.433 254 L N 0.664 121.849 121.223 -0.062 0.000 2.187 254 L HA -0.121 4.223 4.340 0.007 0.000 0.213 254 L C 2.049 178.716 176.870 -0.339 0.000 1.100 254 L CA 0.811 55.569 54.840 -0.136 0.000 0.765 254 L CB -0.271 41.749 42.059 -0.065 0.000 0.904 254 L HN 0.209 nan 8.230 nan 0.000 0.437 255 V N -4.323 115.434 119.914 -0.262 0.000 3.621 255 V HA 0.513 4.637 4.120 0.007 0.000 0.285 255 V C 1.168 177.206 176.094 -0.093 0.000 1.346 255 V CA 0.365 62.524 62.300 -0.235 0.000 1.104 255 V CB 0.055 31.791 31.823 -0.144 0.000 0.913 255 V HN 0.428 nan 8.190 nan 0.000 0.432 256 G N -0.520 108.239 108.800 -0.068 0.000 2.138 256 G HA2 -0.199 3.765 3.960 0.007 0.000 0.193 256 G HA3 -0.199 3.765 3.960 0.007 0.000 0.193 256 G C -0.045 174.844 174.900 -0.018 0.000 0.998 256 G CA -0.137 44.945 45.100 -0.029 0.000 0.668 256 G HN 0.629 nan 8.290 nan 0.000 0.516 257 c N 2.853 121.439 118.600 -0.024 0.000 2.250 257 c HA 0.663 5.237 4.570 0.007 0.000 0.319 257 c C -1.157 172.922 174.090 -0.017 0.000 1.124 257 c CA -1.264 55.055 56.329 -0.016 0.000 1.527 257 c CB 0.598 43.098 42.510 -0.017 0.000 2.001 257 c HN 0.485 nan 8.230 nan 0.000 0.435 266 D N 0.960 121.353 120.400 -0.012 0.000 2.194 266 D HA -0.016 4.628 4.640 0.007 0.000 0.204 266 D C 1.311 177.602 176.300 -0.015 0.000 0.964 266 D CA 1.416 55.403 54.000 -0.020 0.000 0.846 266 D CB 0.183 40.970 40.800 -0.023 0.000 0.962 266 D HN 0.615 nan 8.370 nan 0.000 0.490 267 T N 1.144 115.696 114.554 -0.004 0.000 2.635 267 T HA -0.186 4.168 4.350 0.007 0.000 0.267 267 T C 1.776 176.480 174.700 0.007 0.000 1.040 267 T CA 1.246 63.349 62.100 0.006 0.000 1.156 267 T CB -0.265 68.608 68.868 0.009 0.000 0.863 267 T HN 0.270 nan 8.240 nan 0.000 0.430 268 E N 0.438 120.640 120.200 0.003 0.000 2.058 268 E HA -0.119 4.235 4.350 0.007 0.000 0.194 268 E C 2.248 178.848 176.600 0.001 0.000 0.997 268 E CA 0.995 57.398 56.400 0.004 0.000 0.801 268 E CB -0.290 29.411 29.700 0.001 0.000 0.746 268 E HN 0.387 nan 8.360 nan 0.000 0.450 269 L N 0.632 121.848 121.223 -0.011 0.000 2.056 269 L HA -0.165 4.179 4.340 0.007 0.000 0.207 269 L C 2.255 179.110 176.870 -0.026 0.000 1.078 269 L CA 1.058 55.884 54.840 -0.023 0.000 0.749 269 L CB -0.057 41.978 42.059 -0.039 0.000 0.901 269 L HN 0.092 nan 8.230 nan 0.000 0.433 270 I N -0.078 120.476 120.570 -0.026 0.000 2.252 270 I HA -0.246 3.928 4.170 0.007 0.000 0.245 270 I C 2.736 178.905 176.117 0.086 0.000 1.102 270 I CA 1.125 62.423 61.300 -0.003 0.000 1.385 270 I CB -0.527 37.470 38.000 -0.004 0.000 1.064 270 I HN 0.308 nan 8.210 nan 0.000 0.414 271 A N -0.406 122.449 122.820 0.059 0.000 1.940 271 A HA -0.318 4.006 4.320 0.007 0.000 0.219 271 A C 2.517 180.136 177.584 0.058 0.000 1.176 271 A CA 2.125 54.198 52.037 0.060 0.000 0.631 271 A CB -1.407 17.615 19.000 0.036 0.000 0.814 271 A HN 0.635 nan 8.150 nan 0.000 0.446 272 c N -0.784 117.841 118.600 0.043 0.000 2.466 272 c HA 0.083 4.657 4.570 0.007 0.000 0.278 272 c C 2.577 176.701 174.090 0.055 0.000 1.288 272 c CA 0.892 57.242 56.329 0.036 0.000 1.722 272 c CB -1.566 40.954 42.510 0.017 0.000 2.017 272 c HN 0.590 nan 8.230 nan 0.000 0.488 273 L N 0.459 121.727 121.223 0.075 0.000 2.079 273 L HA -0.157 4.187 4.340 0.007 0.000 0.210 273 L C 2.956 179.953 176.870 0.212 0.000 1.081 273 L CA 1.650 56.573 54.840 0.140 0.000 0.752 273 L CB -0.616 41.516 42.059 0.122 0.000 0.896 273 L HN 0.360 nan 8.230 nan 0.000 0.433 274 R N -0.713 119.911 120.500 0.207 0.000 2.235 274 R HA -0.089 4.255 4.340 0.007 0.000 0.213 274 R C 2.060 178.384 176.300 0.040 0.000 1.059 274 R CA 1.553 57.715 56.100 0.104 0.000 0.997 274 R CB -0.255 30.095 30.300 0.083 0.000 0.884 274 R HN 0.506 nan 8.270 nan 0.000 0.462 275 T N -1.439 113.144 114.554 0.048 0.000 3.100 275 T HA 0.125 4.479 4.350 0.007 0.000 0.253 275 T C 0.760 175.476 174.700 0.026 0.000 1.118 275 T CA -0.176 61.940 62.100 0.027 0.000 1.058 275 T CB 0.154 69.036 68.868 0.024 0.000 0.953 275 T HN -0.108 nan 8.240 nan 0.000 0.515 276 R N 2.471 122.994 120.500 0.039 0.000 2.441 276 R HA 0.428 4.772 4.340 0.007 0.000 0.284 276 R C -2.836 173.480 176.300 0.027 0.000 1.070 276 R CA -2.651 53.471 56.100 0.037 0.000 1.047 276 R CB -0.437 29.891 30.300 0.046 0.000 1.016 276 R HN 0.211 nan 8.270 nan 0.000 0.477 277 P HA 0.033 nan 4.420 nan 0.000 0.268 277 P C 0.380 177.666 177.300 -0.022 0.000 1.205 277 P CA 0.106 63.200 63.100 -0.011 0.000 0.771 277 P CB 0.600 32.304 31.700 0.007 0.000 0.858 278 A N 2.652 125.390 122.820 -0.137 0.000 1.927 278 A HA -0.301 4.024 4.320 0.007 0.000 0.220 278 A C 2.161 179.664 177.584 -0.136 0.000 1.185 278 A CA 2.110 54.021 52.037 -0.211 0.000 0.639 278 A CB -1.283 17.122 19.000 -0.991 0.000 0.820 278 A HN 0.557 nan 8.150 nan 0.000 0.451 279 Q N -0.119 119.600 119.800 -0.135 0.000 2.167 279 Q HA -0.145 4.200 4.340 0.007 0.000 0.202 279 Q C 1.284 177.386 176.000 0.170 0.000 0.970 279 Q CA 1.936 57.824 55.803 0.141 0.000 0.855 279 Q CB -0.352 28.510 28.738 0.208 0.000 0.911 279 Q HN 0.644 nan 8.270 nan 0.000 0.438 280 D N -0.389 120.092 120.400 0.134 0.000 2.117 280 D HA -0.142 4.502 4.640 0.007 0.000 0.197 280 D C 1.754 178.195 176.300 0.235 0.000 0.987 280 D CA 1.089 55.207 54.000 0.196 0.000 0.829 280 D CB -0.164 40.734 40.800 0.163 0.000 0.961 280 D HN 0.303 nan 8.370 nan 0.000 0.460 281 L N 0.091 121.393 121.223 0.133 0.000 2.017 281 L HA -0.150 4.194 4.340 0.007 0.000 0.208 281 L C 2.516 179.439 176.870 0.088 0.000 1.073 281 L CA 0.693 55.561 54.840 0.047 0.000 0.745 281 L CB -0.598 41.366 42.059 -0.159 0.000 0.894 281 L HN -0.037 nan 8.230 nan 0.000 0.432 282 V N -0.149 119.874 119.914 0.181 0.000 2.295 282 V HA -0.297 3.827 4.120 0.007 0.000 0.246 282 V C 2.050 178.280 176.094 0.227 0.000 1.049 282 V CA 1.939 64.403 62.300 0.273 0.000 1.024 282 V CB -0.597 31.506 31.823 0.467 0.000 0.648 282 V HN 0.424 nan 8.190 nan 0.000 0.447 283 D N -1.075 119.425 120.400 0.168 0.000 2.271 283 D HA -0.153 4.491 4.640 0.007 0.000 0.207 283 D C 1.835 177.960 176.300 -0.292 0.000 0.983 283 D CA 1.294 55.291 54.000 -0.005 0.000 0.878 283 D CB -0.174 40.585 40.800 -0.069 0.000 0.920 283 D HN 0.576 nan 8.370 nan 0.000 0.479 284 H N -1.054 117.995 119.070 -0.034 0.000 2.986 284 H HA 0.156 4.716 4.556 0.007 0.000 0.267 284 H C 1.524 176.759 175.328 -0.155 0.000 1.072 284 H CA -0.120 55.823 56.048 -0.174 0.000 1.202 284 H CB 0.742 30.519 29.762 0.026 0.000 1.535 284 H HN 0.229 nan 8.280 nan 0.000 0.522 285 E N 0.836 121.048 120.200 0.020 0.000 2.086 285 E HA -0.224 4.130 4.350 0.007 0.000 0.200 285 E C 1.007 177.507 176.600 -0.167 0.000 1.012 285 E CA 1.577 57.971 56.400 -0.009 0.000 0.812 285 E CB 0.001 29.611 29.700 -0.151 0.000 0.743 285 E HN 0.429 nan 8.360 nan 0.000 0.453 286 W N -0.487 120.731 121.300 -0.137 0.000 2.699 286 W HA -0.012 4.652 4.660 0.006 0.000 0.249 286 W C 1.629 178.172 176.519 0.040 0.000 1.280 286 W CA 0.620 57.899 57.345 -0.110 0.000 1.345 286 W CB -0.124 29.227 29.460 -0.182 0.000 1.128 286 W HN 0.277 nan 8.180 nan 0.000 0.642 287 H N -0.566 118.628 119.070 0.207 0.000 2.556 287 H HA -0.008 4.552 4.556 0.007 0.000 0.268 287 H C 1.891 177.272 175.328 0.088 0.000 0.996 287 H CA 0.813 56.953 56.048 0.153 0.000 1.157 287 H CB 0.111 29.983 29.762 0.184 0.000 1.355 287 H HN 0.151 nan 8.280 nan 0.000 0.597 288 V N -1.748 118.246 119.914 0.134 0.000 3.621 288 V HA 0.165 4.289 4.120 0.007 0.000 0.285 288 V C 0.578 176.648 176.094 -0.039 0.000 1.346 288 V CA -0.118 62.197 62.300 0.026 0.000 1.104 288 V CB -0.299 31.500 31.823 -0.040 0.000 0.913 288 V HN 0.128 nan 8.190 nan 0.000 0.432 289 L N 2.567 123.784 121.223 -0.011 0.000 2.455 289 L HA 0.244 4.588 4.340 0.007 0.000 0.272 289 L C -0.430 176.438 176.870 -0.003 0.000 1.174 289 L CA -1.020 53.805 54.840 -0.024 0.000 0.869 289 L CB 0.964 43.039 42.059 0.028 0.000 1.130 289 L HN 0.157 nan 8.230 nan 0.000 0.474 290 P HA -0.082 nan 4.420 nan 0.000 0.221 290 P C -0.173 177.126 177.300 -0.002 0.000 1.150 290 P CA 1.054 64.145 63.100 -0.014 0.000 0.800 290 P CB 0.443 32.127 31.700 -0.026 0.000 0.787 291 Q N -1.141 118.660 119.800 0.002 0.000 2.484 291 Q HA 0.346 4.690 4.340 0.007 0.000 0.285 291 Q C -0.538 175.473 176.000 0.019 0.000 1.097 291 Q CA -0.769 55.038 55.803 0.007 0.000 0.802 291 Q CB 1.414 30.152 28.738 0.001 0.000 1.444 291 Q HN -0.051 nan 8.270 nan 0.000 0.429 292 E N 0.981 121.192 120.200 0.018 0.000 2.351 292 E HA 0.319 4.674 4.350 0.007 0.000 0.266 292 E C -1.074 175.536 176.600 0.018 0.000 1.031 292 E CA 0.053 56.466 56.400 0.023 0.000 0.911 292 E CB 0.314 30.025 29.700 0.018 0.000 0.986 292 E HN 0.586 nan 8.360 nan 0.000 0.446 293 S N 3.793 119.507 115.700 0.024 0.000 2.588 293 S HA 0.611 5.085 4.470 0.007 0.000 0.269 293 S C -0.512 174.101 174.600 0.021 0.000 1.157 293 S CA -1.053 57.155 58.200 0.014 0.000 0.824 293 S CB 0.760 63.962 63.200 0.002 0.000 1.126 293 S HN 0.540 nan 8.310 nan 0.000 0.464 294 I N -2.501 118.080 120.570 0.019 0.000 2.846 294 I HA 0.803 4.977 4.170 0.007 0.000 0.307 294 I C -0.217 175.898 176.117 -0.003 0.000 1.053 294 I CA -1.179 60.148 61.300 0.044 0.000 1.050 294 I CB 1.177 39.244 38.000 0.113 0.000 1.239 294 I HN 0.772 nan 8.210 nan 0.000 0.439 295 F N 1.799 121.579 119.950 -0.284 0.000 3.090 295 F HA -0.187 4.344 4.527 0.007 0.000 0.282 295 F C -0.287 174.996 175.800 -0.862 0.000 0.923 295 F CA 0.643 58.219 58.000 -0.707 0.000 0.977 295 F CB -0.648 37.849 39.000 -0.838 0.000 0.954 295 F HN 0.587 nan 8.300 nan 0.000 0.695 296 R N 0.314 120.412 120.500 -0.669 0.000 2.686 296 R HA 0.674 5.018 4.340 0.007 0.000 0.283 296 R C -0.936 174.928 176.300 -0.727 0.000 0.978 296 R CA -0.577 55.155 56.100 -0.613 0.000 0.897 296 R CB 1.489 31.676 30.300 -0.188 0.000 1.192 296 R HN 0.000 nan 8.270 nan 0.000 0.457 297 F N -0.943 119.086 119.950 0.131 0.000 2.563 297 F HA 0.363 4.894 4.527 0.006 0.000 0.316 297 F C 1.448 177.135 175.800 -0.189 0.000 1.076 297 F CA -0.866 57.113 58.000 -0.036 0.000 0.921 297 F CB 1.835 40.938 39.000 0.171 0.000 1.209 297 F HN 0.343 nan 8.300 nan 0.000 0.462 298 S N 0.540 116.079 115.700 -0.267 0.000 2.371 298 S HA 0.048 4.523 4.470 0.007 0.000 0.224 298 S C -0.101 174.043 174.600 -0.760 0.000 1.029 298 S CA 1.082 58.941 58.200 -0.568 0.000 0.978 298 S CB -0.190 62.569 63.200 -0.735 0.000 0.833 298 S HN 0.360 nan 8.310 nan 0.000 0.466 299 F N 1.453 121.395 119.950 -0.013 0.000 2.513 299 F HA 0.533 5.064 4.527 0.007 0.000 0.358 299 F C -0.094 175.680 175.800 -0.043 0.000 1.118 299 F CA -1.022 56.997 58.000 0.031 0.000 1.037 299 F CB 1.337 40.393 39.000 0.093 0.000 1.276 299 F HN -0.128 nan 8.300 nan 0.000 0.446 300 V N 0.587 120.433 119.914 -0.114 0.000 3.158 300 V HA 0.770 4.894 4.120 0.007 0.000 0.311 300 V C -2.866 172.841 176.094 -0.645 0.000 1.181 300 V CA -3.388 58.513 62.300 -0.666 0.000 1.054 300 V CB 1.991 33.598 31.823 -0.359 0.000 1.085 300 V HN 0.255 nan 8.190 nan 0.000 0.446 301 P HA 0.111 nan 4.420 nan 0.000 0.263 301 P C -0.714 176.439 177.300 -0.244 0.000 1.168 301 P CA 0.609 63.425 63.100 -0.473 0.000 0.759 301 P CB 0.469 31.823 31.700 -0.575 0.000 0.782 302 V N 4.871 124.718 119.914 -0.112 0.000 2.628 302 V HA 0.277 4.401 4.120 0.007 0.000 0.306 302 V C -0.432 175.638 176.094 -0.040 0.000 1.045 302 V CA -0.898 61.363 62.300 -0.065 0.000 0.905 302 V CB 2.277 34.091 31.823 -0.016 0.000 0.997 302 V HN 0.119 nan 8.190 nan 0.000 0.436 303 V N 7.150 127.042 119.914 -0.036 0.000 2.326 303 V HA 0.219 4.343 4.120 0.007 0.000 0.249 303 V C 0.666 176.762 176.094 0.004 0.000 1.114 303 V CA 0.298 62.591 62.300 -0.013 0.000 1.028 303 V CB 0.246 32.054 31.823 -0.026 0.000 1.170 303 V HN 1.046 nan 8.190 nan 0.000 0.494 304 D N 2.646 123.063 120.400 0.028 0.000 2.369 304 D HA 0.135 4.779 4.640 0.007 0.000 0.211 304 D C 1.516 177.836 176.300 0.034 0.000 1.077 304 D CA 0.543 54.563 54.000 0.032 0.000 0.842 304 D CB 0.506 41.335 40.800 0.048 0.000 0.947 304 D HN 0.644 nan 8.370 nan 0.000 0.509 305 G N 0.823 109.643 108.800 0.034 0.000 2.166 305 G HA2 -0.350 3.615 3.960 0.007 0.000 0.260 305 G HA3 -0.350 3.615 3.960 0.007 0.000 0.260 305 G C 0.462 175.382 174.900 0.034 0.000 0.986 305 G CA 0.900 46.016 45.100 0.027 0.000 0.683 305 G HN 0.540 nan 8.290 nan 0.000 0.527 306 D N -1.586 118.851 120.400 0.062 0.000 3.137 306 D HA 0.224 4.869 4.640 0.007 0.000 0.236 306 D C 1.755 178.109 176.300 0.090 0.000 1.557 306 D CA 0.428 54.469 54.000 0.069 0.000 1.305 306 D CB -0.524 40.327 40.800 0.085 0.000 1.065 306 D HN 0.085 nan 8.370 nan 0.000 0.290 307 F N 1.054 121.010 119.950 0.010 0.000 2.102 307 F HA 0.228 4.759 4.527 0.006 0.000 0.298 307 F C 0.568 176.367 175.800 -0.001 0.000 1.105 307 F CA 1.089 59.095 58.000 0.010 0.000 1.239 307 F CB 0.192 39.196 39.000 0.007 0.000 0.991 307 F HN -0.036 nan 8.300 nan 0.000 0.474 308 L N 0.830 122.212 121.223 0.265 0.000 2.277 308 L HA 0.197 4.541 4.340 0.007 0.000 0.284 308 L C 1.337 178.246 176.870 0.065 0.000 1.028 308 L CA -0.286 54.638 54.840 0.141 0.000 0.835 308 L CB 1.401 43.531 42.059 0.118 0.000 1.215 308 L HN 0.065 nan 8.230 nan 0.000 0.425 309 S N 0.414 116.132 115.700 0.031 0.000 2.447 309 S HA -0.005 4.469 4.470 0.007 0.000 0.233 309 S C 0.473 175.079 174.600 0.010 0.000 1.006 309 S CA 0.443 58.651 58.200 0.014 0.000 0.957 309 S CB 0.176 63.374 63.200 -0.004 0.000 0.773 309 S HN 0.700 nan 8.310 nan 0.000 0.507 310 D N 0.265 120.672 120.400 0.012 0.000 2.759 310 D HA 0.289 4.933 4.640 0.007 0.000 0.321 310 D C -0.889 175.411 176.300 0.000 0.000 1.267 310 D CA -0.039 53.963 54.000 0.003 0.000 0.933 310 D CB 1.466 42.267 40.800 0.001 0.000 1.431 310 D HN 0.217 nan 8.370 nan 0.000 0.504 311 T N -0.736 113.811 114.554 -0.012 0.000 2.940 311 T HA 0.210 4.564 4.350 0.007 0.000 0.309 311 T C -1.817 172.870 174.700 -0.021 0.000 1.056 311 T CA -0.707 61.377 62.100 -0.027 0.000 1.137 311 T CB 1.041 69.887 68.868 -0.036 0.000 0.976 311 T HN 0.088 nan 8.240 nan 0.000 0.547 312 P HA -0.128 nan 4.420 nan 0.000 0.216 312 P C 1.359 178.643 177.300 -0.026 0.000 1.154 312 P CA 1.167 64.246 63.100 -0.035 0.000 0.865 312 P CB 0.050 31.699 31.700 -0.086 0.000 0.789 313 E N -0.491 119.682 120.200 -0.044 0.000 2.097 313 E HA -0.179 4.175 4.350 0.007 0.000 0.196 313 E C 2.125 178.723 176.600 -0.003 0.000 1.000 313 E CA 1.761 58.142 56.400 -0.032 0.000 0.804 313 E CB -1.132 28.541 29.700 -0.045 0.000 0.740 313 E HN 0.193 nan 8.360 nan 0.000 0.454 314 A N 0.245 123.064 122.820 -0.000 0.000 1.929 314 A HA -0.066 4.258 4.320 0.007 0.000 0.216 314 A C 2.147 179.752 177.584 0.036 0.000 1.176 314 A CA 0.912 52.956 52.037 0.012 0.000 0.628 314 A CB -0.487 18.515 19.000 0.002 0.000 0.816 314 A HN 0.187 nan 8.150 nan 0.000 0.444 315 L N 0.015 121.268 121.223 0.049 0.000 2.156 315 L HA -0.101 4.243 4.340 0.007 0.000 0.208 315 L C 2.507 179.495 176.870 0.197 0.000 1.095 315 L CA 1.328 56.223 54.840 0.092 0.000 0.770 315 L CB -0.618 41.496 42.059 0.091 0.000 0.914 315 L HN 0.658 nan 8.230 nan 0.000 0.439 316 I N -2.888 117.781 120.570 0.165 0.000 2.546 316 I HA -0.104 4.070 4.170 0.007 0.000 0.255 316 I C 1.835 178.071 176.117 0.198 0.000 1.163 316 I CA 1.218 62.639 61.300 0.201 0.000 1.457 316 I CB -0.358 37.656 38.000 0.023 0.000 1.092 316 I HN 0.141 nan 8.210 nan 0.000 0.434 317 N N 1.227 119.995 118.700 0.114 0.000 2.354 317 N HA -0.081 4.663 4.740 0.007 0.000 0.179 317 N C 1.745 177.303 175.510 0.081 0.000 1.021 317 N CA 1.928 55.028 53.050 0.084 0.000 0.887 317 N CB -0.206 38.308 38.487 0.044 0.000 0.974 317 N HN 0.681 nan 8.380 nan 0.000 0.437 318 T N -3.997 110.600 114.554 0.071 0.000 3.040 318 T HA 0.320 4.674 4.350 0.007 0.000 0.266 318 T C 0.945 175.619 174.700 -0.043 0.000 1.005 318 T CA -0.391 61.719 62.100 0.018 0.000 0.906 318 T CB 0.006 68.873 68.868 -0.002 0.000 1.082 318 T HN 0.041 nan 8.240 nan 0.000 0.531 319 G N 1.015 109.779 108.800 -0.060 0.000 2.544 319 G HA2 0.377 4.341 3.960 0.007 0.000 0.242 319 G HA3 0.377 4.341 3.960 0.007 0.000 0.242 319 G C -0.915 173.627 174.900 -0.596 0.000 1.247 319 G CA -0.356 44.477 45.100 -0.445 0.000 0.840 319 G HN 0.309 nan 8.290 nan 0.000 0.578 320 D N 0.718 120.726 120.400 -0.654 0.000 2.317 320 D HA 0.276 4.920 4.640 0.007 0.000 0.234 320 D C -0.516 175.434 176.300 -0.584 0.000 1.112 320 D CA -0.565 53.177 54.000 -0.430 0.000 0.840 320 D CB 0.772 41.433 40.800 -0.232 0.000 1.078 320 D HN 0.118 nan 8.370 nan 0.000 0.486 321 F N 2.163 122.117 119.950 0.006 0.000 2.791 321 F HA 0.213 4.744 4.527 0.007 0.000 0.308 321 F C 2.065 177.872 175.800 0.012 0.000 1.138 321 F CA -0.406 57.601 58.000 0.012 0.000 1.294 321 F CB 0.343 39.358 39.000 0.025 0.000 0.975 321 F HN 0.314 nan 8.300 nan 0.000 0.512 322 Q N 0.628 120.489 119.800 0.100 0.000 2.135 322 Q HA -0.215 4.129 4.340 0.007 0.000 0.204 322 Q C 0.950 176.990 176.000 0.067 0.000 0.981 322 Q CA 1.897 57.742 55.803 0.071 0.000 0.856 322 Q CB -0.209 28.544 28.738 0.026 0.000 0.902 322 Q HN 0.495 nan 8.270 nan 0.000 0.425 323 D N -0.552 119.882 120.400 0.057 0.000 2.352 323 D HA 0.094 4.738 4.640 0.007 0.000 0.236 323 D C -0.440 175.899 176.300 0.065 0.000 1.148 323 D CA -0.034 53.992 54.000 0.042 0.000 0.844 323 D CB -0.063 40.742 40.800 0.008 0.000 0.933 323 D HN -0.011 nan 8.370 nan 0.000 0.507 324 L N 0.483 121.773 121.223 0.112 0.000 2.333 324 L HA 0.442 4.786 4.340 0.007 0.000 0.280 324 L C -1.106 175.843 176.870 0.132 0.000 1.004 324 L CA -0.530 54.391 54.840 0.135 0.000 0.820 324 L CB 1.874 44.051 42.059 0.197 0.000 1.247 324 L HN -0.167 nan 8.230 nan 0.000 0.416 325 Q N 3.286 123.177 119.800 0.151 0.000 2.307 325 Q HA 0.745 5.089 4.340 0.007 0.000 0.262 325 Q C -1.329 174.920 176.000 0.415 0.000 0.961 325 Q CA -0.315 55.628 55.803 0.233 0.000 0.882 325 Q CB 2.486 31.297 28.738 0.123 0.000 1.264 325 Q HN 0.481 nan 8.270 nan 0.000 0.446 326 V N 2.841 122.986 119.914 0.385 0.000 2.760 326 V HA 0.456 4.580 4.120 0.007 0.000 0.309 326 V C -1.557 174.521 176.094 -0.027 0.000 1.077 326 V CA -0.879 61.566 62.300 0.241 0.000 0.910 326 V CB 2.204 34.078 31.823 0.085 0.000 1.008 326 V HN 0.559 nan 8.190 nan 0.000 0.424 327 L N 7.056 128.043 121.223 -0.393 0.000 2.313 327 L HA 0.892 5.236 4.340 0.007 0.000 0.283 327 L C -0.492 176.270 176.870 -0.180 0.000 1.013 327 L CA -0.282 54.244 54.840 -0.524 0.000 0.816 327 L CB 1.533 42.811 42.059 -1.302 0.000 1.236 327 L HN 0.588 nan 8.230 nan 0.000 0.419 328 V N 2.230 122.111 119.914 -0.054 0.000 3.007 328 V HA 1.134 5.258 4.120 0.007 0.000 0.311 328 V C -0.315 175.577 176.094 -0.336 0.000 1.120 328 V CA 0.205 62.451 62.300 -0.089 0.000 0.980 328 V CB 1.402 33.141 31.823 -0.141 0.000 1.033 328 V HN 1.138 nan 8.190 nan 0.000 0.429 329 G N 0.773 109.219 108.800 -0.589 0.000 2.441 329 G HA2 0.756 4.720 3.960 0.007 0.000 0.294 329 G HA3 0.756 4.720 3.960 0.007 0.000 0.294 329 G C -1.212 173.373 174.900 -0.526 0.000 1.393 329 G CA 0.094 44.440 45.100 -1.256 0.000 0.796 329 G HN 2.117 nan 8.290 nan 0.000 0.494 330 V N -2.294 117.449 119.914 -0.286 0.000 3.130 330 V HA 0.924 5.048 4.120 0.007 0.000 0.310 330 V C 0.310 176.591 176.094 0.311 0.000 1.158 330 V CA -0.369 61.980 62.300 0.082 0.000 1.029 330 V CB 1.155 33.005 31.823 0.044 0.000 1.057 330 V HN 1.919 nan 8.190 nan 0.000 0.436 331 V N -0.110 120.010 119.914 0.344 0.000 3.109 331 V HA 0.569 4.693 4.120 0.007 0.000 0.317 331 V C 1.381 177.668 176.094 0.322 0.000 1.074 331 V CA 0.095 62.647 62.300 0.421 0.000 1.033 331 V CB 1.260 33.330 31.823 0.412 0.000 1.111 331 V HN 1.103 nan 8.190 nan 0.000 0.458 332 K N 0.040 120.629 120.400 0.315 0.000 2.148 332 K HA -0.052 4.272 4.320 0.007 0.000 0.204 332 K C -0.018 176.708 176.600 0.211 0.000 1.050 332 K CA 1.924 58.351 56.287 0.234 0.000 0.942 332 K CB -0.018 32.600 32.500 0.198 0.000 0.724 332 K HN 0.956 nan 8.250 nan 0.000 0.446 333 D N 0.686 121.220 120.400 0.223 0.000 2.502 333 D HA 0.068 4.712 4.640 0.007 0.000 0.301 333 D C -0.075 176.363 176.300 0.229 0.000 1.202 333 D CA -0.204 53.917 54.000 0.203 0.000 0.878 333 D CB 1.388 42.290 40.800 0.170 0.000 1.062 333 D HN 0.026 nan 8.370 nan 0.000 0.499 334 E N 0.489 120.828 120.200 0.233 0.000 2.204 334 E HA -0.093 4.261 4.350 0.007 0.000 0.195 334 E C 1.925 178.698 176.600 0.288 0.000 0.990 334 E CA 0.710 57.270 56.400 0.268 0.000 0.821 334 E CB 0.171 29.991 29.700 0.200 0.000 0.750 334 E HN 0.542 nan 8.360 nan 0.000 0.477 335 G N 0.646 109.595 108.800 0.248 0.000 2.762 335 G HA2 -0.121 3.843 3.960 0.007 0.000 0.209 335 G HA3 -0.121 3.843 3.960 0.007 0.000 0.209 335 G C 1.664 176.757 174.900 0.323 0.000 1.134 335 G CA 0.606 45.876 45.100 0.284 0.000 0.781 335 G HN 0.334 nan 8.290 nan 0.000 0.528 336 S N 0.087 115.931 115.700 0.239 0.000 2.383 336 S HA -0.232 4.243 4.470 0.007 0.000 0.229 336 S C 2.082 176.724 174.600 0.070 0.000 1.030 336 S CA 1.293 59.605 58.200 0.186 0.000 1.002 336 S CB -0.751 62.492 63.200 0.072 0.000 0.829 336 S HN 0.408 nan 8.310 nan 0.000 0.467 337 Y N 1.680 121.882 120.300 -0.163 0.000 2.114 337 Y HA -0.198 4.356 4.550 0.007 0.000 0.282 337 Y C 1.848 177.602 175.900 -0.243 0.000 1.165 337 Y CA 2.074 59.922 58.100 -0.419 0.000 1.148 337 Y CB -0.572 37.535 38.460 -0.587 0.000 0.972 337 Y HN 0.289 nan 8.280 nan 0.000 0.504 338 F N -0.567 119.494 119.950 0.185 0.000 2.365 338 F HA -0.163 4.368 4.527 0.006 0.000 0.300 338 F C 1.987 177.848 175.800 0.101 0.000 1.090 338 F CA 0.812 58.894 58.000 0.136 0.000 1.408 338 F CB -0.454 38.554 39.000 0.012 0.000 1.060 338 F HN 0.039 nan 8.300 nan 0.000 0.534 339 L N -0.133 121.185 121.223 0.158 0.000 2.093 339 L HA -0.139 4.206 4.340 0.007 0.000 0.208 339 L C 2.388 179.292 176.870 0.057 0.000 1.085 339 L CA 1.082 55.877 54.840 -0.075 0.000 0.755 339 L CB -0.944 40.846 42.059 -0.448 0.000 0.904 339 L HN 0.176 nan 8.230 nan 0.000 0.435 340 V N -4.754 115.259 119.914 0.166 0.000 3.380 340 V HA -0.153 3.971 4.120 0.007 0.000 0.268 340 V C 1.285 177.339 176.094 -0.068 0.000 1.168 340 V CA 0.786 63.172 62.300 0.143 0.000 1.156 340 V CB -1.126 30.814 31.823 0.194 0.000 0.785 340 V HN 0.308 nan 8.190 nan 0.000 0.487 341 Y N 1.582 121.907 120.300 0.041 0.000 2.583 341 Y HA 0.652 5.206 4.550 0.006 0.000 0.294 341 Y C 1.702 177.594 175.900 -0.014 0.000 1.170 341 Y CA 0.368 58.465 58.100 -0.005 0.000 1.265 341 Y CB 0.675 39.126 38.460 -0.016 0.000 1.119 341 Y HN 0.419 nan 8.280 nan 0.000 0.522 342 G N -1.348 107.514 108.800 0.102 0.000 3.987 342 G HA2 -0.082 3.882 3.960 0.007 0.000 0.220 342 G HA3 -0.082 3.882 3.960 0.007 0.000 0.220 342 G C -0.757 174.186 174.900 0.073 0.000 0.871 342 G CA -0.463 44.679 45.100 0.071 0.000 0.881 342 G HN -0.050 nan 8.290 nan 0.000 0.674 343 V N 2.956 122.924 119.914 0.091 0.000 2.368 343 V HA 0.384 4.508 4.120 0.007 0.000 0.266 343 V C -1.935 174.315 176.094 0.260 0.000 1.045 343 V CA -1.620 60.761 62.300 0.135 0.000 0.899 343 V CB 1.039 32.864 31.823 0.004 0.000 1.006 343 V HN 0.058 nan 8.190 nan 0.000 0.470 344 P HA 0.218 nan 4.420 nan 0.000 0.262 344 P C 1.051 178.447 177.300 0.160 0.000 1.182 344 P CA 1.393 64.573 63.100 0.134 0.000 0.761 344 P CB 0.599 32.346 31.700 0.079 0.000 0.795 345 G N 1.618 110.457 108.800 0.065 0.000 2.278 345 G HA2 -0.199 3.765 3.960 0.007 0.000 0.210 345 G HA3 -0.199 3.765 3.960 0.007 0.000 0.210 345 G C -0.191 174.544 174.900 -0.276 0.000 1.000 345 G CA -0.615 44.408 45.100 -0.128 0.000 0.635 345 G HN 0.397 nan 8.290 nan 0.000 0.495 346 F N 1.664 121.608 119.950 -0.010 0.000 2.421 346 F HA 0.811 5.342 4.527 0.006 0.000 0.337 346 F C 0.637 176.495 175.800 0.097 0.000 1.105 346 F CA -0.028 57.981 58.000 0.015 0.000 1.049 346 F CB 2.210 41.257 39.000 0.077 0.000 1.139 346 F HN 0.188 nan 8.300 nan 0.000 0.479 347 S N 1.293 117.193 115.700 0.334 0.000 2.565 347 S HA 0.275 4.749 4.470 0.007 0.000 0.269 347 S C 0.171 175.024 174.600 0.422 0.000 1.153 347 S CA -0.840 57.553 58.200 0.321 0.000 0.835 347 S CB 1.408 64.710 63.200 0.170 0.000 1.122 347 S HN 0.767 nan 8.310 nan 0.000 0.462 348 K N 0.882 121.428 120.400 0.244 0.000 2.365 348 K HA 0.163 4.487 4.320 0.007 0.000 0.197 348 K C 0.035 176.618 176.600 -0.029 0.000 1.042 348 K CA 1.023 57.337 56.287 0.045 0.000 0.987 348 K CB -0.055 32.152 32.500 -0.489 0.000 0.779 348 K HN 0.445 nan 8.250 nan 0.000 0.484 349 D N 0.802 121.193 120.400 -0.015 0.000 2.360 349 D HA 0.009 4.654 4.640 0.007 0.000 0.210 349 D C -0.180 176.134 176.300 0.024 0.000 1.047 349 D CA 0.267 54.239 54.000 -0.047 0.000 0.854 349 D CB 0.164 40.924 40.800 -0.067 0.000 0.936 349 D HN 0.472 nan 8.370 nan 0.000 0.514 350 N N -0.907 117.842 118.700 0.082 0.000 3.102 350 N HA 0.099 4.843 4.740 0.007 0.000 0.299 350 N C 0.409 175.972 175.510 0.089 0.000 1.482 350 N CA -0.506 52.577 53.050 0.055 0.000 0.785 350 N CB 0.956 39.434 38.487 -0.014 0.000 1.680 350 N HN -0.426 nan 8.380 nan 0.000 0.594 351 E N -0.475 119.702 120.200 -0.040 0.000 2.481 351 E HA 0.032 4.386 4.350 0.007 0.000 0.195 351 E C -0.401 175.848 176.600 -0.585 0.000 1.047 351 E CA 0.328 56.632 56.400 -0.161 0.000 0.867 351 E CB -0.449 29.203 29.700 -0.080 0.000 0.858 351 E HN 0.613 nan 8.360 nan 0.000 0.513 352 S N 0.184 115.583 115.700 -0.503 0.000 3.641 352 S HA -0.197 4.277 4.470 0.007 0.000 0.346 352 S C 0.406 174.571 174.600 -0.724 0.000 1.074 352 S CA 0.183 57.956 58.200 -0.712 0.000 1.026 352 S CB -2.046 60.540 63.200 -1.023 0.000 0.908 352 S HN 0.292 nan 8.310 nan 0.000 0.479 353 L N 1.666 122.614 121.223 -0.458 0.000 2.477 353 L HA 0.400 4.744 4.340 0.007 0.000 0.272 353 L C 0.797 177.467 176.870 -0.334 0.000 1.157 353 L CA 0.102 54.735 54.840 -0.344 0.000 0.889 353 L CB -0.013 41.915 42.059 -0.218 0.000 1.158 353 L HN 0.470 nan 8.230 nan 0.000 0.473 354 I N 0.025 120.402 120.570 -0.321 0.000 3.133 354 I HA 0.719 4.893 4.170 0.007 0.000 0.311 354 I C 0.313 176.358 176.117 -0.121 0.000 1.072 354 I CA -0.699 60.452 61.300 -0.249 0.000 1.015 354 I CB 2.087 39.906 38.000 -0.300 0.000 1.233 354 I HN 0.540 nan 8.210 nan 0.000 0.473 355 S N 1.319 116.984 115.700 -0.060 0.000 2.730 355 S HA 0.508 4.982 4.470 0.007 0.000 0.284 355 S C 0.822 175.452 174.600 0.051 0.000 1.153 355 S CA -0.800 57.391 58.200 -0.015 0.000 0.995 355 S CB 1.778 64.972 63.200 -0.010 0.000 1.058 355 S HN 0.745 nan 8.310 nan 0.000 0.552 356 R N 0.195 120.728 120.500 0.054 0.000 2.083 356 R HA -0.131 4.213 4.340 0.007 0.000 0.237 356 R C 2.573 178.971 176.300 0.164 0.000 1.137 356 R CA 1.578 57.751 56.100 0.123 0.000 0.951 356 R CB -1.169 29.178 30.300 0.079 0.000 0.851 356 R HN 0.837 nan 8.270 nan 0.000 0.434 357 A N 1.099 123.977 122.820 0.096 0.000 1.883 357 A HA -0.243 4.081 4.320 0.007 0.000 0.217 357 A C 2.045 179.681 177.584 0.087 0.000 1.186 357 A CA 1.443 53.527 52.037 0.077 0.000 0.624 357 A CB -0.482 18.547 19.000 0.047 0.000 0.822 357 A HN 0.391 nan 8.150 nan 0.000 0.444 358 Q N -2.005 117.851 119.800 0.094 0.000 2.167 358 Q HA -0.121 4.223 4.340 0.007 0.000 0.202 358 Q C 1.876 177.990 176.000 0.190 0.000 0.970 358 Q CA 1.447 57.315 55.803 0.109 0.000 0.855 358 Q CB -0.259 28.515 28.738 0.061 0.000 0.911 358 Q HN 0.816 nan 8.270 nan 0.000 0.438 359 F N 1.069 121.055 119.950 0.059 0.000 2.113 359 F HA -0.170 4.360 4.527 0.006 0.000 0.297 359 F C 1.737 177.575 175.800 0.063 0.000 1.103 359 F CA 1.028 59.073 58.000 0.075 0.000 1.248 359 F CB 0.066 39.093 39.000 0.046 0.000 0.999 359 F HN -0.059 nan 8.300 nan 0.000 0.475 360 L N 0.273 121.447 121.223 -0.081 0.000 2.083 360 L HA -0.176 4.168 4.340 0.007 0.000 0.209 360 L C 2.819 179.614 176.870 -0.125 0.000 1.083 360 L CA 1.072 55.809 54.840 -0.171 0.000 0.752 360 L CB -1.467 40.583 42.059 -0.016 0.000 0.899 360 L HN 0.249 nan 8.230 nan 0.000 0.433 361 A N 0.730 123.526 122.820 -0.040 0.000 1.898 361 A HA -0.072 4.252 4.320 0.007 0.000 0.216 361 A C 2.437 180.006 177.584 -0.025 0.000 1.181 361 A CA 1.613 53.642 52.037 -0.014 0.000 0.620 361 A CB -1.193 17.823 19.000 0.025 0.000 0.819 361 A HN 0.426 nan 8.150 nan 0.000 0.442 362 G N -0.753 108.036 108.800 -0.018 0.000 2.443 362 G HA2 -0.040 3.924 3.960 0.007 0.000 0.219 362 G HA3 -0.040 3.924 3.960 0.007 0.000 0.219 362 G C 1.432 176.264 174.900 -0.113 0.000 1.131 362 G CA 1.102 46.188 45.100 -0.023 0.000 0.775 362 G HN 0.302 nan 8.290 nan 0.000 0.547 363 V N 0.955 120.732 119.914 -0.228 0.000 2.427 363 V HA -0.114 4.010 4.120 0.007 0.000 0.248 363 V C 2.937 178.960 176.094 -0.117 0.000 1.051 363 V CA 1.465 63.625 62.300 -0.232 0.000 1.048 363 V CB -0.340 31.262 31.823 -0.369 0.000 0.666 363 V HN 0.217 nan 8.190 nan 0.000 0.456 364 R N -0.074 120.372 120.500 -0.089 0.000 2.120 364 R HA 0.012 4.356 4.340 0.007 0.000 0.234 364 R C 2.010 178.290 176.300 -0.034 0.000 1.123 364 R CA 1.368 57.440 56.100 -0.048 0.000 0.975 364 R CB -0.797 29.485 30.300 -0.031 0.000 0.866 364 R HN 0.479 nan 8.270 nan 0.000 0.446 365 I N -0.561 119.989 120.570 -0.033 0.000 2.400 365 I HA -0.043 4.131 4.170 0.007 0.000 0.248 365 I C 2.325 178.429 176.117 -0.021 0.000 1.109 365 I CA 1.239 62.529 61.300 -0.017 0.000 1.425 365 I CB -0.490 37.508 38.000 -0.003 0.000 1.094 365 I HN 0.176 nan 8.210 nan 0.000 0.425 366 G N 0.511 109.286 108.800 -0.042 0.000 2.421 366 G HA2 -0.063 3.901 3.960 0.007 0.000 0.217 366 G HA3 -0.063 3.901 3.960 0.007 0.000 0.217 366 G C 0.869 175.738 174.900 -0.052 0.000 1.143 366 G CA 0.439 45.512 45.100 -0.044 0.000 0.784 366 G HN 0.240 nan 8.290 nan 0.000 0.541 367 V N 1.974 121.843 119.914 -0.075 0.000 2.326 367 V HA 0.221 4.345 4.120 0.007 0.000 0.254 367 V C -1.497 174.571 176.094 -0.043 0.000 1.022 367 V CA -1.149 61.081 62.300 -0.116 0.000 1.074 367 V CB 1.360 33.106 31.823 -0.128 0.000 1.305 367 V HN 0.077 nan 8.190 nan 0.000 0.506 368 P HA -0.137 nan 4.420 nan 0.000 0.222 368 P C 1.045 178.344 177.300 -0.003 0.000 1.147 368 P CA 1.038 64.134 63.100 -0.006 0.000 0.790 368 P CB 0.348 32.047 31.700 -0.000 0.000 0.780 369 Q N -0.192 119.611 119.800 0.006 0.000 2.451 369 Q HA 0.261 4.605 4.340 0.007 0.000 0.206 369 Q C 0.978 176.975 176.000 -0.005 0.000 0.947 369 Q CA 0.110 55.915 55.803 0.003 0.000 0.937 369 Q CB -1.095 27.652 28.738 0.014 0.000 1.025 369 Q HN 0.120 nan 8.270 nan 0.000 0.511 370 A N 1.367 124.182 122.820 -0.008 0.000 2.401 370 A HA 0.486 4.810 4.320 0.007 0.000 0.259 370 A C 0.518 178.097 177.584 -0.009 0.000 1.103 370 A CA -0.205 51.826 52.037 -0.010 0.000 0.789 370 A CB 0.219 19.215 19.000 -0.006 0.000 1.035 370 A HN 0.403 nan 8.150 nan 0.000 0.491 371 S N 1.753 117.446 115.700 -0.012 0.000 2.617 371 S HA 0.100 4.574 4.470 0.007 0.000 0.255 371 S C 0.414 175.017 174.600 0.004 0.000 1.318 371 S CA 0.352 58.548 58.200 -0.006 0.000 0.978 371 S CB 0.245 63.439 63.200 -0.011 0.000 0.961 371 S HN 0.620 nan 8.310 nan 0.000 0.582 372 D N 0.011 120.416 120.400 0.009 0.000 2.117 372 D HA -0.048 4.596 4.640 0.007 0.000 0.197 372 D C 1.762 178.083 176.300 0.034 0.000 0.987 372 D CA 0.767 54.779 54.000 0.019 0.000 0.829 372 D CB -0.509 40.303 40.800 0.019 0.000 0.961 372 D HN 0.357 nan 8.370 nan 0.000 0.460 373 L N 0.954 122.196 121.223 0.032 0.000 1.994 373 L HA -0.101 4.243 4.340 0.007 0.000 0.208 373 L C 2.154 179.069 176.870 0.074 0.000 1.071 373 L CA 1.831 56.702 54.840 0.051 0.000 0.745 373 L CB -0.982 41.100 42.059 0.038 0.000 0.892 373 L HN 0.008 nan 8.230 nan 0.000 0.431 374 A N -0.903 121.945 122.820 0.046 0.000 1.940 374 A HA -0.131 4.193 4.320 0.007 0.000 0.219 374 A C 2.406 180.047 177.584 0.095 0.000 1.176 374 A CA 1.863 53.933 52.037 0.056 0.000 0.631 374 A CB -1.063 17.930 19.000 -0.011 0.000 0.814 374 A HN 0.554 nan 8.150 nan 0.000 0.446 375 A N -0.772 122.084 122.820 0.061 0.000 1.930 375 A HA -0.101 4.223 4.320 0.007 0.000 0.217 375 A C 1.985 179.613 177.584 0.074 0.000 1.175 375 A CA 1.500 53.566 52.037 0.049 0.000 0.627 375 A CB -0.350 18.657 19.000 0.011 0.000 0.815 375 A HN 0.450 nan 8.150 nan 0.000 0.443 376 E N -0.050 120.205 120.200 0.093 0.000 2.150 376 E HA -0.086 4.268 4.350 0.007 0.000 0.193 376 E C 2.362 179.062 176.600 0.167 0.000 0.985 376 E CA 0.989 57.464 56.400 0.125 0.000 0.814 376 E CB -0.414 29.355 29.700 0.115 0.000 0.752 376 E HN 0.550 nan 8.360 nan 0.000 0.466 377 A N 1.092 124.026 122.820 0.189 0.000 1.873 377 A HA -0.197 4.127 4.320 0.007 0.000 0.218 377 A C 2.607 180.277 177.584 0.144 0.000 1.193 377 A CA 1.843 54.027 52.037 0.245 0.000 0.629 377 A CB -0.894 18.369 19.000 0.438 0.000 0.826 377 A HN 0.141 nan 8.150 nan 0.000 0.447 378 V N -0.538 119.492 119.914 0.192 0.000 2.255 378 V HA -0.263 3.861 4.120 0.007 0.000 0.247 378 V C 2.570 178.824 176.094 0.266 0.000 1.051 378 V CA 2.118 64.499 62.300 0.135 0.000 1.018 378 V CB -0.912 31.005 31.823 0.158 0.000 0.641 378 V HN 0.376 nan 8.190 nan 0.000 0.445 379 V N -0.235 119.809 119.914 0.216 0.000 2.343 379 V HA -0.251 3.873 4.120 0.007 0.000 0.247 379 V C 2.252 178.588 176.094 0.404 0.000 1.051 379 V CA 2.067 64.563 62.300 0.327 0.000 1.036 379 V CB -0.483 31.462 31.823 0.203 0.000 0.654 379 V HN 0.457 nan 8.190 nan 0.000 0.451 380 L N -0.955 120.484 121.223 0.360 0.000 2.109 380 L HA -0.159 4.185 4.340 0.007 0.000 0.207 380 L C 2.522 179.642 176.870 0.415 0.000 1.086 380 L CA 1.838 56.988 54.840 0.517 0.000 0.760 380 L CB -0.814 41.473 42.059 0.380 0.000 0.910 380 L HN 0.405 nan 8.230 nan 0.000 0.437 381 H N -0.796 118.312 119.070 0.063 0.000 2.387 381 H HA -0.178 4.381 4.556 0.006 0.000 0.299 381 H C 1.685 176.932 175.328 -0.135 0.000 1.090 381 H CA 1.827 57.770 56.048 -0.176 0.000 1.332 381 H CB 0.122 29.471 29.762 -0.689 0.000 1.386 381 H HN 0.246 nan 8.280 nan 0.000 0.516 382 Y N -0.400 120.002 120.300 0.169 0.000 2.482 382 Y HA 0.137 4.692 4.550 0.008 0.000 0.270 382 Y C 0.768 176.714 175.900 0.077 0.000 1.152 382 Y CA 0.191 58.404 58.100 0.188 0.000 1.292 382 Y CB 0.357 39.031 38.460 0.357 0.000 1.070 382 Y HN 0.012 nan 8.280 nan 0.000 0.528 383 T N 1.227 115.804 114.554 0.039 0.000 2.930 383 T HA -0.029 4.325 4.350 0.007 0.000 0.306 383 T C -0.307 174.113 174.700 -0.467 0.000 1.045 383 T CA -0.222 61.635 62.100 -0.406 0.000 1.134 383 T CB 0.369 68.562 68.868 -1.125 0.000 0.961 383 T HN 0.070 nan 8.240 nan 0.000 0.545 384 D N 1.817 121.911 120.400 -0.510 0.000 2.380 384 D HA 0.130 4.774 4.640 0.007 0.000 0.230 384 D C -0.076 175.957 176.300 -0.444 0.000 1.154 384 D CA -0.832 52.870 54.000 -0.498 0.000 0.859 384 D CB 0.289 40.605 40.800 -0.807 0.000 1.045 384 D HN 0.578 nan 8.370 nan 0.000 0.495 385 W N 3.149 124.367 121.300 -0.137 0.000 2.961 385 W HA 0.131 4.794 4.660 0.005 0.000 0.240 385 W C 1.678 178.103 176.519 -0.157 0.000 1.305 385 W CA -0.228 57.049 57.345 -0.114 0.000 1.465 385 W CB -0.023 29.383 29.460 -0.090 0.000 1.135 385 W HN 0.426 nan 8.180 nan 0.000 0.688 386 L N -1.219 119.939 121.223 -0.108 0.000 2.354 386 L HA 0.037 4.381 4.340 0.007 0.000 0.212 386 L C 0.118 176.613 176.870 -0.625 0.000 1.091 386 L CA 0.874 55.514 54.840 -0.334 0.000 0.828 386 L CB -0.068 41.754 42.059 -0.396 0.000 0.973 386 L HN 0.008 nan 8.230 nan 0.000 0.461 387 H N -1.604 117.387 119.070 -0.130 0.000 2.597 387 H HA 0.153 4.713 4.556 0.006 0.000 0.225 387 H C -1.931 173.286 175.328 -0.184 0.000 1.422 387 H CA -1.164 54.806 56.048 -0.130 0.000 1.335 387 H CB 0.214 29.900 29.762 -0.127 0.000 1.783 387 H HN -0.061 nan 8.280 nan 0.000 0.513 388 P HA -0.100 nan 4.420 nan 0.000 0.239 388 P C 0.446 177.652 177.300 -0.157 0.000 1.184 388 P CA 1.000 63.950 63.100 -0.250 0.000 0.760 388 P CB 0.669 32.203 31.700 -0.276 0.000 0.884 389 E N -0.830 119.328 120.200 -0.070 0.000 2.630 389 E HA 0.048 4.402 4.350 0.007 0.000 0.218 389 E C 0.111 176.688 176.600 -0.038 0.000 0.977 389 E CA -0.129 56.243 56.400 -0.046 0.000 1.038 389 E CB 0.338 30.027 29.700 -0.019 0.000 1.051 389 E HN 0.266 nan 8.360 nan 0.000 0.487 390 D N 3.036 123.420 120.400 -0.027 0.000 2.346 390 D HA 0.020 4.664 4.640 0.007 0.000 0.260 390 D C -1.441 174.830 176.300 -0.049 0.000 1.252 390 D CA -1.662 52.321 54.000 -0.030 0.000 0.895 390 D CB 1.646 42.430 40.800 -0.028 0.000 1.097 390 D HN -0.094 nan 8.370 nan 0.000 0.489 391 P HA -0.115 nan 4.420 nan 0.000 0.220 391 P C 1.254 178.481 177.300 -0.121 0.000 1.148 391 P CA 0.868 63.905 63.100 -0.105 0.000 0.803 391 P CB 0.273 31.905 31.700 -0.114 0.000 0.782 392 T N -1.111 113.390 114.554 -0.088 0.000 2.737 392 T HA -0.167 4.187 4.350 0.007 0.000 0.265 392 T C 1.836 176.506 174.700 -0.051 0.000 1.038 392 T CA 1.077 63.132 62.100 -0.074 0.000 1.144 392 T CB -1.076 67.766 68.868 -0.044 0.000 0.866 392 T HN 0.280 nan 8.240 nan 0.000 0.434 393 H N 1.086 120.096 119.070 -0.100 0.000 2.353 393 H HA 0.018 4.578 4.556 0.006 0.000 0.300 393 H C 2.210 177.452 175.328 -0.143 0.000 1.090 393 H CA 1.174 57.164 56.048 -0.097 0.000 1.327 393 H CB -0.303 29.394 29.762 -0.107 0.000 1.383 393 H HN 0.290 nan 8.280 nan 0.000 0.508 394 L N 0.438 121.527 121.223 -0.223 0.000 2.046 394 L HA -0.163 4.181 4.340 0.007 0.000 0.208 394 L C 3.064 179.827 176.870 -0.178 0.000 1.077 394 L CA 1.135 55.761 54.840 -0.357 0.000 0.747 394 L CB -0.448 41.453 42.059 -0.264 0.000 0.896 394 L HN 0.206 nan 8.230 nan 0.000 0.432 395 R N 0.542 120.978 120.500 -0.106 0.000 2.083 395 R HA -0.196 4.148 4.340 0.007 0.000 0.237 395 R C 1.641 178.006 176.300 0.108 0.000 1.137 395 R CA 2.184 58.296 56.100 0.019 0.000 0.951 395 R CB -0.369 29.814 30.300 -0.195 0.000 0.851 395 R HN 0.354 nan 8.270 nan 0.000 0.434 396 D N 0.300 120.688 120.400 -0.020 0.000 2.149 396 D HA -0.062 4.582 4.640 0.007 0.000 0.201 396 D C 1.762 178.057 176.300 -0.009 0.000 0.972 396 D CA 1.379 55.393 54.000 0.024 0.000 0.835 396 D CB -0.244 40.549 40.800 -0.013 0.000 0.966 396 D HN 0.367 nan 8.370 nan 0.000 0.476 397 A N 0.755 123.459 122.820 -0.194 0.000 1.933 397 A HA -0.166 4.158 4.320 0.007 0.000 0.218 397 A C 2.142 179.819 177.584 0.154 0.000 1.175 397 A CA 1.510 53.517 52.037 -0.050 0.000 0.628 397 A CB -0.481 18.355 19.000 -0.273 0.000 0.814 397 A HN 0.143 nan 8.150 nan 0.000 0.444 398 M N 0.058 119.806 119.600 0.248 0.000 2.117 398 M HA -0.105 4.379 4.480 0.007 0.000 0.262 398 M C 2.310 178.666 176.300 0.093 0.000 1.065 398 M CA 2.171 57.641 55.300 0.283 0.000 1.114 398 M CB -0.537 32.293 32.600 0.383 0.000 1.361 398 M HN 0.431 nan 8.290 nan 0.000 0.408 399 S N -0.339 115.439 115.700 0.130 0.000 2.368 399 S HA -0.067 4.407 4.470 0.007 0.000 0.224 399 S C 2.060 176.734 174.600 0.122 0.000 1.029 399 S CA 1.446 59.732 58.200 0.144 0.000 0.988 399 S CB -0.585 62.769 63.200 0.256 0.000 0.838 399 S HN 0.606 nan 8.310 nan 0.000 0.462 400 A N 0.879 123.782 122.820 0.138 0.000 1.933 400 A HA 0.043 4.367 4.320 0.007 0.000 0.218 400 A C 2.361 179.992 177.584 0.078 0.000 1.175 400 A CA 1.645 53.791 52.037 0.182 0.000 0.628 400 A CB -1.065 18.131 19.000 0.326 0.000 0.814 400 A HN 0.458 nan 8.150 nan 0.000 0.444 401 V N -0.382 119.441 119.914 -0.152 0.000 2.255 401 V HA -0.258 3.866 4.120 0.007 0.000 0.247 401 V C 2.591 178.579 176.094 -0.176 0.000 1.051 401 V CA 2.221 64.341 62.300 -0.300 0.000 1.018 401 V CB -0.770 30.866 31.823 -0.312 0.000 0.641 401 V HN 0.381 nan 8.190 nan 0.000 0.445 402 V N 0.617 120.466 119.914 -0.109 0.000 2.358 402 V HA -0.146 3.978 4.120 0.007 0.000 0.246 402 V C 2.602 178.596 176.094 -0.166 0.000 1.047 402 V CA 2.050 64.280 62.300 -0.116 0.000 1.035 402 V CB -1.380 30.428 31.823 -0.025 0.000 0.658 402 V HN 0.622 nan 8.190 nan 0.000 0.452 403 G N -0.130 108.636 108.800 -0.056 0.000 2.446 403 G HA2 -0.260 3.704 3.960 0.007 0.000 0.217 403 G HA3 -0.260 3.704 3.960 0.007 0.000 0.217 403 G C 1.235 176.063 174.900 -0.120 0.000 1.168 403 G CA 1.136 46.218 45.100 -0.031 0.000 0.771 403 G HN 0.503 nan 8.290 nan 0.000 0.551 404 D N -0.525 119.809 120.400 -0.110 0.000 2.144 404 D HA -0.053 4.591 4.640 0.007 0.000 0.200 404 D C 2.075 178.063 176.300 -0.521 0.000 0.978 404 D CA 1.210 55.113 54.000 -0.162 0.000 0.833 404 D CB -0.356 40.508 40.800 0.107 0.000 0.961 404 D HN 0.494 nan 8.370 nan 0.000 0.470 405 H N 0.335 118.846 119.070 -0.933 0.000 2.436 405 H HA 0.107 4.667 4.556 0.006 0.000 0.294 405 H C 1.434 176.371 175.328 -0.651 0.000 1.048 405 H CA 1.355 56.683 56.048 -1.200 0.000 1.353 405 H CB 0.194 29.078 29.762 -1.464 0.000 1.414 405 H HN -0.044 nan 8.280 nan 0.000 0.536 406 N N -0.688 117.560 118.700 -0.755 0.000 2.432 406 N HA 0.013 4.757 4.740 0.007 0.000 0.174 406 N C 1.188 176.445 175.510 -0.422 0.000 1.037 406 N CA 1.096 53.649 53.050 -0.828 0.000 0.892 406 N CB 1.037 38.497 38.487 -1.712 0.000 1.049 406 N HN 0.265 nan 8.380 nan 0.000 0.442 407 V N -0.242 119.478 119.914 -0.324 0.000 3.134 407 V HA 0.073 4.197 4.120 0.007 0.000 0.222 407 V C 2.202 178.246 176.094 -0.083 0.000 1.247 407 V CA 0.247 62.492 62.300 -0.093 0.000 1.281 407 V CB -0.145 31.686 31.823 0.013 0.000 1.169 407 V HN -0.164 nan 8.190 nan 0.000 0.512 408 V N 0.014 119.877 119.914 -0.084 0.000 2.295 408 V HA -0.278 3.846 4.120 0.007 0.000 0.246 408 V C 2.492 178.547 176.094 -0.065 0.000 1.049 408 V CA 2.544 64.814 62.300 -0.051 0.000 1.024 408 V CB -0.696 31.128 31.823 0.000 0.000 0.648 408 V HN 0.663 nan 8.190 nan 0.000 0.447 409 c N -0.598 117.952 118.600 -0.083 0.000 2.475 409 c HA 0.035 4.609 4.570 0.007 0.000 0.279 409 c C 0.544 174.597 174.090 -0.062 0.000 1.322 409 c CA 0.673 56.984 56.329 -0.029 0.000 1.734 409 c CB -1.729 40.810 42.510 0.050 0.000 2.005 409 c HN 0.456 nan 8.230 nan 0.000 0.495 410 P HA -0.104 nan 4.420 nan 0.000 0.215 410 P C 1.778 179.010 177.300 -0.114 0.000 1.157 410 P CA 1.491 64.513 63.100 -0.131 0.000 0.874 410 P CB -0.188 31.404 31.700 -0.180 0.000 0.790 411 V N 0.118 119.967 119.914 -0.108 0.000 2.287 411 V HA -0.296 3.829 4.120 0.007 0.000 0.248 411 V C 2.479 178.473 176.094 -0.166 0.000 1.053 411 V CA 2.374 64.596 62.300 -0.130 0.000 1.027 411 V CB -1.747 30.000 31.823 -0.126 0.000 0.646 411 V HN 0.115 nan 8.190 nan 0.000 0.447 412 A N -0.706 122.033 122.820 -0.137 0.000 1.883 412 A HA -0.336 3.988 4.320 0.007 0.000 0.217 412 A C 2.200 179.735 177.584 -0.081 0.000 1.186 412 A CA 2.331 54.292 52.037 -0.127 0.000 0.624 412 A CB -0.604 18.372 19.000 -0.040 0.000 0.822 412 A HN 0.588 nan 8.150 nan 0.000 0.444 413 Q N -0.869 118.902 119.800 -0.048 0.000 2.061 413 Q HA -0.182 4.162 4.340 0.007 0.000 0.204 413 Q C 1.917 177.882 176.000 -0.059 0.000 0.984 413 Q CA 1.881 57.667 55.803 -0.029 0.000 0.846 413 Q CB -0.396 28.326 28.738 -0.026 0.000 0.902 413 Q HN 0.524 nan 8.270 nan 0.000 0.421 414 L N 0.225 121.386 121.223 -0.103 0.000 1.970 414 L HA -0.167 4.177 4.340 0.007 0.000 0.212 414 L C 2.221 179.003 176.870 -0.147 0.000 1.071 414 L CA 2.423 57.185 54.840 -0.129 0.000 0.751 414 L CB -1.158 40.814 42.059 -0.144 0.000 0.889 414 L HN 0.317 nan 8.230 nan 0.000 0.432 415 A N -0.692 121.998 122.820 -0.217 0.000 1.917 415 A HA -0.181 4.143 4.320 0.007 0.000 0.219 415 A C 2.338 179.887 177.584 -0.059 0.000 1.182 415 A CA 1.947 53.797 52.037 -0.311 0.000 0.633 415 A CB -1.684 16.833 19.000 -0.805 0.000 0.819 415 A HN 0.577 nan 8.150 nan 0.000 0.448 416 G N -0.882 107.943 108.800 0.042 0.000 2.421 416 G HA2 -0.212 3.752 3.960 0.007 0.000 0.216 416 G HA3 -0.212 3.752 3.960 0.007 0.000 0.216 416 G C 1.688 176.657 174.900 0.115 0.000 1.171 416 G CA 0.837 46.062 45.100 0.207 0.000 0.775 416 G HN 0.406 nan 8.290 nan 0.000 0.543 417 R N 0.226 120.753 120.500 0.045 0.000 2.075 417 R HA 0.136 4.480 4.340 0.007 0.000 0.232 417 R C 2.685 179.011 176.300 0.042 0.000 1.126 417 R CA 0.512 56.638 56.100 0.044 0.000 0.963 417 R CB -1.111 29.202 30.300 0.023 0.000 0.858 417 R HN 0.413 nan 8.270 nan 0.000 0.435 418 L N 0.220 121.414 121.223 -0.048 0.000 2.046 418 L HA -0.089 4.255 4.340 0.007 0.000 0.208 418 L C 2.605 179.501 176.870 0.044 0.000 1.077 418 L CA 1.408 56.190 54.840 -0.098 0.000 0.747 418 L CB -0.740 41.177 42.059 -0.236 0.000 0.896 418 L HN 0.120 nan 8.230 nan 0.000 0.432 419 A N 0.187 123.055 122.820 0.080 0.000 1.933 419 A HA -0.133 4.191 4.320 0.007 0.000 0.218 419 A C 2.494 180.133 177.584 0.091 0.000 1.175 419 A CA 1.697 53.799 52.037 0.109 0.000 0.628 419 A CB -0.635 18.481 19.000 0.193 0.000 0.814 419 A HN 0.399 nan 8.150 nan 0.000 0.444 420 A N -1.621 121.257 122.820 0.096 0.000 2.066 420 A HA -0.031 4.293 4.320 0.007 0.000 0.218 420 A C 1.871 179.511 177.584 0.094 0.000 1.157 420 A CA 1.572 53.658 52.037 0.082 0.000 0.670 420 A CB -0.200 18.847 19.000 0.078 0.000 0.804 420 A HN 0.481 nan 8.150 nan 0.000 0.453 421 Q N -1.682 118.201 119.800 0.139 0.000 2.204 421 Q HA 0.372 4.716 4.340 0.007 0.000 0.209 421 Q C 0.899 177.008 176.000 0.182 0.000 0.861 421 Q CA 0.718 56.631 55.803 0.183 0.000 0.971 421 Q CB 0.506 29.449 28.738 0.342 0.000 1.095 421 Q HN 0.805 nan 8.270 nan 0.000 0.486 422 G N -1.230 107.649 108.800 0.132 0.000 2.179 422 G HA2 -0.220 3.744 3.960 0.007 0.000 0.220 422 G HA3 -0.220 3.744 3.960 0.007 0.000 0.220 422 G C 0.314 175.278 174.900 0.107 0.000 0.990 422 G CA -0.179 44.982 45.100 0.102 0.000 0.646 422 G HN 0.548 nan 8.290 nan 0.000 0.517 423 A N -0.085 122.812 122.820 0.130 0.000 2.366 423 A HA 0.713 5.037 4.320 0.007 0.000 0.249 423 A C 0.671 178.287 177.584 0.053 0.000 1.084 423 A CA 0.737 52.835 52.037 0.102 0.000 0.794 423 A CB 0.306 19.347 19.000 0.068 0.000 1.034 423 A HN 0.932 nan 8.150 nan 0.000 0.491 424 R N 1.058 121.586 120.500 0.047 0.000 2.229 424 R HA 0.527 4.871 4.340 0.007 0.000 0.332 424 R C -1.626 174.650 176.300 -0.041 0.000 0.989 424 R CA -0.184 55.906 56.100 -0.017 0.000 0.842 424 R CB 0.610 30.922 30.300 0.020 0.000 1.119 424 R HN 0.451 nan 8.270 nan 0.000 0.456 425 V N 5.657 125.479 119.914 -0.152 0.000 2.495 425 V HA 0.426 4.550 4.120 0.007 0.000 0.298 425 V C -1.075 174.841 176.094 -0.297 0.000 1.031 425 V CA -0.766 61.469 62.300 -0.108 0.000 0.871 425 V CB 1.522 33.350 31.823 0.009 0.000 0.988 425 V HN 0.655 nan 8.190 nan 0.000 0.432 426 Y N 2.152 122.426 120.300 -0.043 0.000 2.364 426 Y HA 0.778 5.331 4.550 0.005 0.000 0.340 426 Y C 0.317 176.328 175.900 0.185 0.000 0.975 426 Y CA -0.598 57.487 58.100 -0.025 0.000 1.089 426 Y CB 2.176 40.258 38.460 -0.630 0.000 1.192 426 Y HN 0.741 nan 8.280 nan 0.000 0.454 427 A N 3.515 126.729 122.820 0.657 0.000 2.355 427 A HA 0.817 5.142 4.320 0.007 0.000 0.317 427 A C -1.739 176.217 177.584 0.620 0.000 1.094 427 A CA -0.678 51.615 52.037 0.428 0.000 0.764 427 A CB 0.635 19.755 19.000 0.200 0.000 1.230 427 A HN 0.741 nan 8.150 nan 0.000 0.448 428 Y N 0.003 120.543 120.300 0.400 0.000 2.576 428 Y HA 0.804 5.357 4.550 0.004 0.000 0.346 428 Y C -1.023 175.056 175.900 0.298 0.000 1.018 428 Y CA -1.712 56.576 58.100 0.314 0.000 1.050 428 Y CB 1.414 40.055 38.460 0.301 0.000 1.280 428 Y HN 0.644 nan 8.280 nan 0.000 0.474 429 I N 3.386 124.263 120.570 0.512 0.000 2.436 429 I HA 0.429 4.603 4.170 0.007 0.000 0.289 429 I C -1.773 174.676 176.117 0.553 0.000 1.010 429 I CA -1.018 60.548 61.300 0.443 0.000 1.098 429 I CB 0.967 39.172 38.000 0.341 0.000 1.266 429 I HN 0.749 nan 8.210 nan 0.000 0.434 430 F N 7.400 127.643 119.950 0.488 0.000 2.411 430 F HA 0.376 4.907 4.527 0.008 0.000 0.355 430 F C 0.597 176.561 175.800 0.272 0.000 1.117 430 F CA 0.112 58.340 58.000 0.380 0.000 1.139 430 F CB 0.839 40.081 39.000 0.404 0.000 1.120 430 F HN 0.539 nan 8.300 nan 0.000 0.493 431 E N 3.249 123.331 120.200 -0.195 0.000 2.660 431 E HA -0.018 4.336 4.350 0.007 0.000 0.216 431 E C -0.846 175.660 176.600 -0.158 0.000 0.986 431 E CA -0.161 56.200 56.400 -0.066 0.000 1.037 431 E CB 0.283 29.969 29.700 -0.024 0.000 1.041 431 E HN 0.508 nan 8.360 nan 0.000 0.480 432 H N 1.649 120.386 119.070 -0.555 0.000 2.556 432 H HA 0.218 4.777 4.556 0.006 0.000 0.310 432 H C -0.362 174.959 175.328 -0.013 0.000 1.057 432 H CA -0.634 55.173 56.048 -0.401 0.000 1.264 432 H CB 0.524 29.836 29.762 -0.750 0.000 1.404 432 H HN -0.131 nan 8.280 nan 0.000 0.462 433 R N 4.387 124.623 120.500 -0.439 0.000 2.248 433 R HA 0.439 4.783 4.340 0.007 0.000 0.328 433 R C -0.510 175.526 176.300 -0.439 0.000 1.067 433 R CA -0.465 55.483 56.100 -0.252 0.000 0.924 433 R CB 0.175 30.409 30.300 -0.110 0.000 1.013 433 R HN 0.784 nan 8.270 nan 0.000 0.454 434 A N 3.390 126.223 122.820 0.022 0.000 2.565 434 A HA -0.027 4.297 4.320 0.007 0.000 0.237 434 A C 1.360 179.017 177.584 0.121 0.000 1.053 434 A CA 0.598 52.827 52.037 0.320 0.000 0.755 434 A CB 0.262 19.577 19.000 0.525 0.000 0.980 434 A HN 1.028 nan 8.150 nan 0.000 0.506 435 S N 1.304 117.113 115.700 0.181 0.000 2.447 435 S HA -0.140 4.334 4.470 0.007 0.000 0.233 435 S C 1.343 175.929 174.600 -0.024 0.000 1.006 435 S CA 1.528 59.772 58.200 0.072 0.000 0.957 435 S CB -0.740 62.528 63.200 0.112 0.000 0.773 435 S HN 1.271 nan 8.310 nan 0.000 0.507 436 T N -0.754 113.748 114.554 -0.088 0.000 3.107 436 T HA 0.339 4.693 4.350 0.007 0.000 0.249 436 T C 0.420 175.040 174.700 -0.134 0.000 1.096 436 T CA -0.554 61.427 62.100 -0.199 0.000 1.012 436 T CB -0.395 68.198 68.868 -0.458 0.000 0.977 436 T HN 0.202 nan 8.240 nan 0.000 0.527 437 L N 4.210 125.394 121.223 -0.065 0.000 2.490 437 L HA 0.262 4.606 4.340 0.007 0.000 0.274 437 L C 1.514 178.326 176.870 -0.097 0.000 1.201 437 L CA 0.680 55.474 54.840 -0.078 0.000 0.869 437 L CB 0.783 42.805 42.059 -0.062 0.000 1.123 437 L HN 0.484 nan 8.230 nan 0.000 0.484 438 T N -0.700 113.758 114.554 -0.161 0.000 3.022 438 T HA 0.087 4.441 4.350 0.007 0.000 0.250 438 T C 0.412 175.066 174.700 -0.076 0.000 1.060 438 T CA -0.457 61.546 62.100 -0.162 0.000 1.013 438 T CB -0.272 68.408 68.868 -0.314 0.000 0.982 438 T HN 0.376 nan 8.240 nan 0.000 0.508 439 W N 3.661 124.943 121.300 -0.029 0.000 2.158 439 W HA 0.380 5.044 4.660 0.008 0.000 0.339 439 W C -1.991 174.427 176.519 -0.168 0.000 1.294 439 W CA -2.127 55.177 57.345 -0.067 0.000 1.231 439 W CB 0.195 29.548 29.460 -0.178 0.000 1.143 439 W HN 0.005 nan 8.180 nan 0.000 0.571 440 P HA -0.005 nan 4.420 nan 0.000 0.272 440 P C 0.582 177.798 177.300 -0.141 0.000 1.230 440 P CA 0.027 63.084 63.100 -0.072 0.000 0.788 440 P CB 0.878 32.538 31.700 -0.066 0.000 0.949 441 L N 0.653 121.861 121.223 -0.024 0.000 2.081 441 L HA -0.163 4.181 4.340 0.007 0.000 0.212 441 L C 2.592 179.485 176.870 0.039 0.000 1.080 441 L CA 1.568 56.415 54.840 0.012 0.000 0.754 441 L CB -0.883 41.215 42.059 0.064 0.000 0.893 441 L HN 0.615 nan 8.230 nan 0.000 0.433 442 W N -0.719 120.621 121.300 0.066 0.000 2.364 442 W HA -0.206 4.457 4.660 0.006 0.000 0.281 442 W C 1.700 178.273 176.519 0.088 0.000 1.219 442 W CA 0.634 58.022 57.345 0.071 0.000 1.220 442 W CB -0.891 28.610 29.460 0.068 0.000 1.127 442 W HN 0.188 nan 8.180 nan 0.000 0.556 443 M N 1.516 120.795 119.600 -0.536 0.000 2.659 443 M HA 0.110 4.594 4.480 0.007 0.000 0.243 443 M C 1.800 178.018 176.300 -0.136 0.000 1.111 443 M CA 1.307 56.290 55.300 -0.528 0.000 1.070 443 M CB -0.742 31.373 32.600 -0.807 0.000 1.525 443 M HN 0.212 nan 8.290 nan 0.000 0.517 444 G N 0.747 109.530 108.800 -0.029 0.000 2.622 444 G HA2 -0.303 3.661 3.960 0.007 0.000 0.307 444 G HA3 -0.303 3.661 3.960 0.007 0.000 0.307 444 G C -0.080 174.843 174.900 0.038 0.000 1.226 444 G CA -0.041 45.084 45.100 0.042 0.000 0.997 444 G HN 0.260 nan 8.290 nan 0.000 0.551 445 V N 3.730 123.708 119.914 0.106 0.000 2.257 445 V HA 0.465 4.589 4.120 0.007 0.000 0.269 445 V C -1.856 174.374 176.094 0.225 0.000 1.040 445 V CA -0.806 61.602 62.300 0.181 0.000 0.813 445 V CB 1.251 33.232 31.823 0.264 0.000 1.065 445 V HN 0.525 nan 8.190 nan 0.000 0.457 446 P HA 0.186 nan 4.420 nan 0.000 0.276 446 P C -0.197 177.322 177.300 0.364 0.000 1.252 446 P CA -0.538 62.695 63.100 0.221 0.000 0.802 446 P CB 0.373 32.106 31.700 0.055 0.000 1.035 447 H N 0.778 119.936 119.070 0.146 0.000 3.214 447 H HA 0.176 4.736 4.556 0.006 0.000 0.291 447 H C 1.585 176.845 175.328 -0.114 0.000 0.926 447 H CA 2.411 58.476 56.048 0.029 0.000 1.409 447 H CB -0.799 28.940 29.762 -0.038 0.000 1.406 447 H HN 0.753 nan 8.280 nan 0.000 0.561 448 G N 3.560 112.150 108.800 -0.351 0.000 2.194 448 G HA2 -0.300 3.664 3.960 0.007 0.000 0.236 448 G HA3 -0.300 3.664 3.960 0.007 0.000 0.236 448 G C 0.538 175.302 174.900 -0.226 0.000 0.987 448 G CA 0.310 45.142 45.100 -0.447 0.000 0.635 448 G HN 0.636 nan 8.290 nan 0.000 0.520 449 Y N 1.474 121.860 120.300 0.143 0.000 2.532 449 Y HA 0.273 4.826 4.550 0.006 0.000 0.283 449 Y C 2.219 178.220 175.900 0.169 0.000 1.181 449 Y CA 0.764 59.008 58.100 0.241 0.000 1.256 449 Y CB 0.461 39.109 38.460 0.312 0.000 1.112 449 Y HN 0.469 nan 8.280 nan 0.000 0.521 450 E N 0.142 120.292 120.200 -0.082 0.000 2.364 450 E HA -0.045 4.310 4.350 0.007 0.000 0.196 450 E C 1.605 178.078 176.600 -0.211 0.000 0.990 450 E CA 0.601 56.617 56.400 -0.639 0.000 0.886 450 E CB -0.418 28.506 29.700 -1.293 0.000 0.866 450 E HN 0.531 nan 8.360 nan 0.000 0.493 451 I N 2.883 123.427 120.570 -0.042 0.000 2.118 451 I HA -0.324 3.850 4.170 0.007 0.000 0.241 451 I C 2.746 178.863 176.117 0.001 0.000 1.070 451 I CA 2.284 63.609 61.300 0.041 0.000 1.327 451 I CB -0.639 37.451 38.000 0.150 0.000 1.034 451 I HN 0.234 nan 8.210 nan 0.000 0.405 452 E N 1.194 121.344 120.200 -0.082 0.000 2.209 452 E HA -0.235 4.119 4.350 0.007 0.000 0.196 452 E C 2.051 178.420 176.600 -0.385 0.000 0.993 452 E CA 1.512 57.761 56.400 -0.251 0.000 0.819 452 E CB -0.505 29.027 29.700 -0.280 0.000 0.745 452 E HN 0.463 nan 8.360 nan 0.000 0.477 453 F N 1.308 121.150 119.950 -0.180 0.000 2.187 453 F HA -0.019 4.514 4.527 0.010 0.000 0.295 453 F C 2.366 177.943 175.800 -0.372 0.000 1.091 453 F CA 0.517 58.358 58.000 -0.264 0.000 1.308 453 F CB -0.108 38.811 39.000 -0.135 0.000 1.030 453 F HN -0.030 nan 8.300 nan 0.000 0.487 454 I N -0.861 119.557 120.570 -0.254 0.000 2.286 454 I HA -0.282 3.892 4.170 0.007 0.000 0.248 454 I C 2.036 177.917 176.117 -0.393 0.000 1.115 454 I CA 1.701 62.690 61.300 -0.518 0.000 1.392 454 I CB -1.396 36.176 38.000 -0.714 0.000 1.065 454 I HN 0.096 nan 8.210 nan 0.000 0.418 455 F N 0.865 120.630 119.950 -0.309 0.000 2.710 455 F HA 0.219 4.750 4.527 0.007 0.000 0.298 455 F C 1.892 177.548 175.800 -0.240 0.000 1.137 455 F CA 0.825 58.684 58.000 -0.235 0.000 1.444 455 F CB -0.218 38.627 39.000 -0.258 0.000 1.111 455 F HN 0.283 nan 8.300 nan 0.000 0.580 456 G N 0.071 108.722 108.800 -0.248 0.000 2.137 456 G HA2 -0.296 3.668 3.960 0.007 0.000 0.237 456 G HA3 -0.296 3.668 3.960 0.007 0.000 0.237 456 G C 0.978 175.326 174.900 -0.920 0.000 1.002 456 G CA 0.307 45.141 45.100 -0.442 0.000 0.702 456 G HN 0.295 nan 8.290 nan 0.000 0.515 457 L N 0.412 121.130 121.223 -0.842 0.000 2.081 457 L HA 0.009 4.353 4.340 0.007 0.000 0.212 457 L C 0.422 176.759 176.870 -0.887 0.000 1.080 457 L CA 2.764 57.048 54.840 -0.927 0.000 0.754 457 L CB -0.897 40.854 42.059 -0.514 0.000 0.893 457 L HN 0.231 nan 8.230 nan 0.000 0.433 458 P HA -0.140 nan 4.420 nan 0.000 0.226 458 P C 1.744 178.803 177.300 -0.401 0.000 1.146 458 P CA 1.068 63.615 63.100 -0.922 0.000 0.773 458 P CB -0.004 31.155 31.700 -0.903 0.000 0.772 459 L N -1.469 119.469 121.223 -0.475 0.000 2.376 459 L HA -0.034 4.310 4.340 0.007 0.000 0.219 459 L C 1.037 177.826 176.870 -0.135 0.000 1.133 459 L CA 0.532 55.213 54.840 -0.265 0.000 0.816 459 L CB -0.640 41.273 42.059 -0.244 0.000 0.933 459 L HN -0.031 nan 8.230 nan 0.000 0.449 460 D N 0.802 121.086 120.400 -0.193 0.000 2.325 460 D HA 0.060 4.704 4.640 0.007 0.000 0.251 460 D C -1.446 174.872 176.300 0.029 0.000 1.196 460 D CA -2.087 51.922 54.000 0.015 0.000 0.866 460 D CB 1.471 42.310 40.800 0.065 0.000 1.101 460 D HN -0.058 nan 8.370 nan 0.000 0.476 461 P HA -0.107 nan 4.420 nan 0.000 0.222 461 P C 1.041 178.359 177.300 0.031 0.000 1.153 461 P CA 0.601 63.723 63.100 0.036 0.000 0.798 461 P CB 0.061 31.779 31.700 0.029 0.000 0.796 462 S N -0.994 114.723 115.700 0.029 0.000 2.603 462 S HA 0.034 4.508 4.470 0.007 0.000 0.229 462 S C 1.581 176.178 174.600 -0.005 0.000 0.972 462 S CA 0.263 58.469 58.200 0.010 0.000 0.935 462 S CB -1.280 61.925 63.200 0.010 0.000 0.769 462 S HN 0.106 nan 8.310 nan 0.000 0.536 463 L N 0.245 121.478 121.223 0.017 0.000 2.640 463 L HA 0.311 4.655 4.340 0.007 0.000 0.230 463 L C 0.299 177.090 176.870 -0.132 0.000 1.123 463 L CA -0.173 54.654 54.840 -0.022 0.000 0.900 463 L CB -0.376 41.739 42.059 0.094 0.000 1.146 463 L HN 0.205 nan 8.230 nan 0.000 0.484 464 N N -1.563 117.104 118.700 -0.056 0.000 2.850 464 N HA -0.216 4.528 4.740 0.007 0.000 0.249 464 N C -0.390 175.056 175.510 -0.107 0.000 1.060 464 N CA 0.818 53.814 53.050 -0.090 0.000 0.825 464 N CB -1.690 36.718 38.487 -0.131 0.000 1.132 464 N HN 0.272 nan 8.380 nan 0.000 0.564 465 Y N 1.273 121.558 120.300 -0.025 0.000 2.379 465 Y HA 0.158 4.712 4.550 0.007 0.000 0.337 465 Y C 1.976 177.901 175.900 0.041 0.000 1.238 465 Y CA 0.337 58.448 58.100 0.018 0.000 1.405 465 Y CB 0.425 38.883 38.460 -0.004 0.000 1.310 465 Y HN 0.064 nan 8.280 nan 0.000 0.569 466 T N -2.521 112.182 114.554 0.249 0.000 2.813 466 T HA 0.032 4.386 4.350 0.007 0.000 0.297 466 T C 1.179 175.964 174.700 0.142 0.000 1.036 466 T CA -0.338 61.856 62.100 0.157 0.000 1.044 466 T CB 0.912 69.863 68.868 0.139 0.000 0.993 466 T HN 0.735 nan 8.240 nan 0.000 0.535 467 T N 1.082 115.690 114.554 0.089 0.000 2.720 467 T HA -0.092 4.262 4.350 0.007 0.000 0.268 467 T C 1.812 176.552 174.700 0.068 0.000 1.037 467 T CA 1.820 63.959 62.100 0.066 0.000 1.144 467 T CB -0.459 68.434 68.868 0.043 0.000 0.864 467 T HN 0.754 nan 8.240 nan 0.000 0.444 468 E N 1.110 121.348 120.200 0.063 0.000 2.110 468 E HA -0.093 4.261 4.350 0.007 0.000 0.193 468 E C 2.187 178.840 176.600 0.088 0.000 0.988 468 E CA 0.975 57.398 56.400 0.039 0.000 0.804 468 E CB -0.168 29.526 29.700 -0.011 0.000 0.745 468 E HN 0.571 nan 8.360 nan 0.000 0.458 469 E N 0.051 120.352 120.200 0.168 0.000 2.204 469 E HA -0.139 4.215 4.350 0.007 0.000 0.195 469 E C 2.035 178.782 176.600 0.245 0.000 0.990 469 E CA 0.603 57.205 56.400 0.337 0.000 0.821 469 E CB 0.010 30.027 29.700 0.529 0.000 0.750 469 E HN 0.143 nan 8.360 nan 0.000 0.477 470 R N 0.277 120.846 120.500 0.115 0.000 2.062 470 R HA -0.054 4.290 4.340 0.007 0.000 0.229 470 R C 2.333 178.652 176.300 0.032 0.000 1.128 470 R CA 1.007 57.121 56.100 0.024 0.000 0.960 470 R CB -0.211 30.092 30.300 0.005 0.000 0.855 470 R HN 0.127 nan 8.270 nan 0.000 0.432 471 I N 0.094 120.699 120.570 0.059 0.000 2.264 471 I HA -0.301 3.873 4.170 0.007 0.000 0.248 471 I C 2.080 178.250 176.117 0.088 0.000 1.111 471 I CA 1.149 62.479 61.300 0.051 0.000 1.382 471 I CB -0.199 37.828 38.000 0.045 0.000 1.060 471 I HN 0.118 nan 8.210 nan 0.000 0.418 472 F N 1.596 121.517 119.950 -0.048 0.000 2.128 472 F HA -0.104 4.426 4.527 0.005 0.000 0.295 472 F C 2.444 178.239 175.800 -0.009 0.000 1.100 472 F CA 1.166 59.126 58.000 -0.067 0.000 1.260 472 F CB -0.656 38.248 39.000 -0.160 0.000 1.009 472 F HN -0.002 nan 8.300 nan 0.000 0.476 473 A N 0.162 122.930 122.820 -0.087 0.000 1.940 473 A HA -0.243 4.082 4.320 0.007 0.000 0.219 473 A C 2.159 179.615 177.584 -0.213 0.000 1.176 473 A CA 1.880 53.806 52.037 -0.185 0.000 0.631 473 A CB -0.908 18.009 19.000 -0.139 0.000 0.814 473 A HN 0.614 nan 8.150 nan 0.000 0.446 474 Q N -0.998 118.717 119.800 -0.141 0.000 2.124 474 Q HA -0.164 4.181 4.340 0.007 0.000 0.202 474 Q C 2.384 178.283 176.000 -0.169 0.000 0.977 474 Q CA 1.407 57.134 55.803 -0.126 0.000 0.850 474 Q CB -0.162 28.531 28.738 -0.075 0.000 0.901 474 Q HN 0.629 nan 8.270 nan 0.000 0.429 475 R N 0.362 120.745 120.500 -0.195 0.000 2.070 475 R HA -0.112 4.232 4.340 0.007 0.000 0.233 475 R C 2.320 178.348 176.300 -0.453 0.000 1.137 475 R CA 1.207 57.115 56.100 -0.320 0.000 0.945 475 R CB -0.226 29.958 30.300 -0.194 0.000 0.845 475 R HN 0.239 nan 8.270 nan 0.000 0.430 476 L N -0.053 120.982 121.223 -0.313 0.000 2.046 476 L HA -0.193 4.151 4.340 0.007 0.000 0.208 476 L C 2.528 179.358 176.870 -0.067 0.000 1.077 476 L CA 1.315 56.074 54.840 -0.135 0.000 0.747 476 L CB -0.401 41.429 42.059 -0.380 0.000 0.896 476 L HN 0.283 nan 8.230 nan 0.000 0.432 477 M N -0.401 119.097 119.600 -0.171 0.000 2.149 477 M HA -0.214 4.270 4.480 0.007 0.000 0.261 477 M C 2.281 178.576 176.300 -0.008 0.000 1.064 477 M CA 1.746 56.983 55.300 -0.106 0.000 1.102 477 M CB -0.315 32.208 32.600 -0.129 0.000 1.369 477 M HN 0.137 nan 8.290 nan 0.000 0.408 478 K N -0.442 119.915 120.400 -0.072 0.000 2.025 478 K HA -0.142 4.182 4.320 0.007 0.000 0.207 478 K C 1.908 178.554 176.600 0.077 0.000 1.049 478 K CA 1.449 57.705 56.287 -0.052 0.000 0.933 478 K CB -0.335 32.080 32.500 -0.142 0.000 0.714 478 K HN 0.245 nan 8.250 nan 0.000 0.438 479 Y N 0.291 120.713 120.300 0.203 0.000 2.081 479 Y HA -0.256 4.300 4.550 0.010 0.000 0.280 479 Y C 2.321 178.349 175.900 0.214 0.000 1.163 479 Y CA 0.833 59.083 58.100 0.250 0.000 1.135 479 Y CB -0.962 37.783 38.460 0.475 0.000 0.970 479 Y HN 0.235 nan 8.280 nan 0.000 0.498 480 W N 0.623 121.998 121.300 0.125 0.000 2.335 480 W HA -0.250 4.413 4.660 0.005 0.000 0.311 480 W C 2.466 178.988 176.519 0.005 0.000 1.213 480 W CA 2.328 59.685 57.345 0.019 0.000 1.274 480 W CB -0.619 28.786 29.460 -0.091 0.000 1.148 480 W HN 0.263 nan 8.180 nan 0.000 0.498 481 T N -2.737 111.923 114.554 0.177 0.000 3.014 481 T HA -0.081 4.273 4.350 0.007 0.000 0.263 481 T C 1.387 176.112 174.700 0.042 0.000 1.078 481 T CA 0.938 63.074 62.100 0.060 0.000 1.135 481 T CB -0.495 68.386 68.868 0.021 0.000 0.895 481 T HN -0.087 nan 8.240 nan 0.000 0.480 482 N N 1.041 119.783 118.700 0.071 0.000 2.120 482 N HA 0.006 4.750 4.740 0.007 0.000 0.188 482 N C 1.342 176.849 175.510 -0.005 0.000 1.024 482 N CA 0.981 54.053 53.050 0.036 0.000 0.852 482 N CB -0.682 37.846 38.487 0.068 0.000 1.003 482 N HN 0.462 nan 8.380 nan 0.000 0.424 483 F N 1.751 121.618 119.950 -0.139 0.000 2.102 483 F HA -0.120 4.412 4.527 0.007 0.000 0.298 483 F C 2.185 177.904 175.800 -0.135 0.000 1.105 483 F CA 1.437 59.308 58.000 -0.215 0.000 1.239 483 F CB -0.505 38.281 39.000 -0.357 0.000 0.991 483 F HN 0.039 nan 8.300 nan 0.000 0.474 484 A N 0.493 123.244 122.820 -0.115 0.000 1.883 484 A HA -0.238 4.086 4.320 0.007 0.000 0.217 484 A C 2.430 179.903 177.584 -0.186 0.000 1.186 484 A CA 1.911 53.855 52.037 -0.155 0.000 0.624 484 A CB -0.902 18.067 19.000 -0.051 0.000 0.822 484 A HN 0.470 nan 8.150 nan 0.000 0.444 485 R N -1.120 119.301 120.500 -0.130 0.000 2.075 485 R HA -0.106 4.238 4.340 0.007 0.000 0.232 485 R C 1.905 178.122 176.300 -0.137 0.000 1.126 485 R CA 1.987 58.024 56.100 -0.104 0.000 0.963 485 R CB -0.087 30.178 30.300 -0.058 0.000 0.858 485 R HN 0.715 nan 8.270 nan 0.000 0.435 486 T N -6.099 108.348 114.554 -0.179 0.000 2.986 486 T HA 0.243 4.597 4.350 0.007 0.000 0.264 486 T C 1.017 175.591 174.700 -0.210 0.000 0.964 486 T CA 0.422 62.430 62.100 -0.153 0.000 0.895 486 T CB 1.279 70.093 68.868 -0.090 0.000 1.163 486 T HN 0.309 nan 8.240 nan 0.000 0.517 487 G N 1.313 109.865 108.800 -0.413 0.000 2.143 487 G HA2 -0.142 3.822 3.960 0.007 0.000 0.249 487 G HA3 -0.142 3.822 3.960 0.007 0.000 0.249 487 G C -0.400 174.390 174.900 -0.183 0.000 0.981 487 G CA 0.151 44.942 45.100 -0.514 0.000 0.665 487 G HN 0.816 nan 8.290 nan 0.000 0.528 488 D N -0.803 119.503 120.400 -0.157 0.000 2.890 488 D HA 0.453 5.097 4.640 0.007 0.000 0.233 488 D C -1.275 174.897 176.300 -0.213 0.000 1.306 488 D CA -1.537 52.363 54.000 -0.167 0.000 0.929 488 D CB 2.065 42.836 40.800 -0.048 0.000 1.512 488 D HN -0.024 nan 8.370 nan 0.000 0.568 489 P HA -0.058 nan 4.420 nan 0.000 0.223 489 P C 0.013 177.336 177.300 0.039 0.000 1.151 489 P CA 0.239 63.169 63.100 -0.285 0.000 0.787 489 P CB 0.387 31.571 31.700 -0.859 0.000 0.788 490 N N 1.528 120.217 118.700 -0.018 0.000 2.530 490 N HA 0.016 4.760 4.740 0.007 0.000 0.273 490 N C 0.063 175.644 175.510 0.118 0.000 1.173 490 N CA 0.301 53.432 53.050 0.135 0.000 0.967 490 N CB 0.625 39.181 38.487 0.115 0.000 1.109 490 N HN 0.066 nan 8.380 nan 0.000 0.453 491 D N 2.516 123.003 120.400 0.146 0.000 2.336 491 D HA 0.077 4.721 4.640 0.007 0.000 0.249 491 D C -1.242 175.102 176.300 0.073 0.000 1.213 491 D CA -1.552 52.504 54.000 0.093 0.000 0.870 491 D CB 1.345 42.196 40.800 0.086 0.000 1.076 491 D HN 0.293 nan 8.370 nan 0.000 0.483 492 P HA -0.176 nan 4.420 nan 0.000 0.216 492 P C 1.026 178.351 177.300 0.042 0.000 1.150 492 P CA 1.104 64.230 63.100 0.043 0.000 0.843 492 P CB 0.535 32.252 31.700 0.029 0.000 0.787 493 R N -0.091 120.433 120.500 0.039 0.000 2.056 493 R HA -0.006 4.339 4.340 0.007 0.000 0.227 493 R C 1.264 177.589 176.300 0.043 0.000 1.149 493 R CA 0.774 56.895 56.100 0.036 0.000 0.937 493 R CB -1.417 28.901 30.300 0.030 0.000 0.835 493 R HN 0.125 nan 8.270 nan 0.000 0.430 494 D N 0.205 120.636 120.400 0.050 0.000 2.368 494 D HA -0.038 4.606 4.640 0.007 0.000 0.268 494 D C 0.329 176.669 176.300 0.066 0.000 1.298 494 D CA 0.473 54.507 54.000 0.057 0.000 0.938 494 D CB 0.957 41.796 40.800 0.066 0.000 1.101 494 D HN 0.036 nan 8.370 nan 0.000 0.509 495 S N 2.582 118.316 115.700 0.056 0.000 2.499 495 S HA 0.012 4.486 4.470 0.007 0.000 0.225 495 S C 2.069 176.704 174.600 0.058 0.000 1.050 495 S CA 0.917 59.152 58.200 0.058 0.000 0.928 495 S CB 0.134 63.362 63.200 0.046 0.000 0.803 495 S HN 0.545 nan 8.310 nan 0.000 0.506 496 K N 1.238 121.669 120.400 0.051 0.000 2.026 496 K HA 0.184 4.508 4.320 0.007 0.000 0.208 496 K C 1.208 177.843 176.600 0.057 0.000 1.048 496 K CA 1.321 57.637 56.287 0.048 0.000 0.929 496 K CB -1.335 31.188 32.500 0.039 0.000 0.713 496 K HN 0.368 nan 8.250 nan 0.000 0.439 497 S N 1.752 117.494 115.700 0.070 0.000 2.558 497 S HA 0.167 4.641 4.470 0.007 0.000 0.293 497 S C -2.250 172.411 174.600 0.101 0.000 1.292 497 S CA -0.803 57.452 58.200 0.092 0.000 1.063 497 S CB 0.692 63.965 63.200 0.120 0.000 0.831 497 S HN 0.490 nan 8.310 nan 0.000 0.499 498 P HA 0.111 nan 4.420 nan 0.000 0.271 498 P C -0.627 176.749 177.300 0.128 0.000 1.216 498 P CA -0.414 62.740 63.100 0.090 0.000 0.776 498 P CB 0.475 32.211 31.700 0.060 0.000 0.881 499 Q N 0.995 120.873 119.800 0.130 0.000 2.312 499 Q HA 0.187 4.531 4.340 0.007 0.000 0.236 499 Q C -0.565 175.576 176.000 0.234 0.000 0.965 499 Q CA 0.119 56.033 55.803 0.184 0.000 0.894 499 Q CB 0.937 29.774 28.738 0.164 0.000 1.225 499 Q HN 0.590 nan 8.270 nan 0.000 0.478 500 W N 5.277 126.617 121.300 0.068 0.000 2.282 500 W HA 0.344 5.008 4.660 0.007 0.000 0.322 500 W C -2.495 174.153 176.519 0.215 0.000 1.011 500 W CA -2.622 54.774 57.345 0.084 0.000 1.392 500 W CB 0.572 30.014 29.460 -0.030 0.000 1.215 500 W HN 0.367 nan 8.180 nan 0.000 0.394 501 P HA 0.252 nan 4.420 nan 0.000 0.278 501 P C -2.567 174.974 177.300 0.401 0.000 1.238 501 P CA -1.568 61.763 63.100 0.385 0.000 0.794 501 P CB 0.685 32.517 31.700 0.220 0.000 0.955 502 P HA 0.014 nan 4.420 nan 0.000 0.267 502 P C -0.587 176.720 177.300 0.012 0.000 1.200 502 P CA 0.221 63.156 63.100 -0.274 0.000 0.772 502 P CB 0.034 31.543 31.700 -0.318 0.000 0.855 503 Y N 2.793 123.049 120.300 -0.073 0.000 2.402 503 Y HA 0.326 4.883 4.550 0.011 0.000 0.333 503 Y C 0.474 176.369 175.900 -0.009 0.000 1.076 503 Y CA 0.477 58.593 58.100 0.028 0.000 1.299 503 Y CB 0.215 38.711 38.460 0.059 0.000 1.197 503 Y HN 0.406 nan 8.280 nan 0.000 0.517 504 T N 0.080 114.329 114.554 -0.508 0.000 2.926 504 T HA 0.277 4.631 4.350 0.007 0.000 0.289 504 T C 0.956 175.345 174.700 -0.517 0.000 1.054 504 T CA -0.170 61.721 62.100 -0.348 0.000 1.015 504 T CB 1.263 70.029 68.868 -0.169 0.000 1.167 504 T HN 0.630 nan 8.240 nan 0.000 0.526 505 T N -1.434 112.994 114.554 -0.209 0.000 2.857 505 T HA 0.097 4.451 4.350 0.007 0.000 0.266 505 T C 2.265 176.897 174.700 -0.112 0.000 1.048 505 T CA 0.810 62.834 62.100 -0.126 0.000 1.139 505 T CB -0.819 68.043 68.868 -0.010 0.000 0.874 505 T HN 0.822 nan 8.240 nan 0.000 0.455 506 A N 1.471 124.233 122.820 -0.096 0.000 1.929 506 A HA 0.562 4.886 4.320 0.007 0.000 0.216 506 A C 2.564 180.107 177.584 -0.067 0.000 1.176 506 A CA 1.465 53.467 52.037 -0.059 0.000 0.628 506 A CB -0.924 18.053 19.000 -0.038 0.000 0.816 506 A HN 0.747 nan 8.150 nan 0.000 0.444 507 A N -2.378 120.376 122.820 -0.110 0.000 2.167 507 A HA 0.327 4.651 4.320 0.007 0.000 0.208 507 A C 0.920 178.440 177.584 -0.106 0.000 1.198 507 A CA 0.761 52.749 52.037 -0.082 0.000 0.863 507 A CB -0.112 18.855 19.000 -0.057 0.000 0.904 507 A HN 0.455 nan 8.150 nan 0.000 0.484 508 Q N 0.069 119.698 119.800 -0.285 0.000 2.435 508 Q HA -0.227 4.117 4.340 0.007 0.000 0.286 508 Q C -0.700 175.332 176.000 0.054 0.000 1.229 508 Q CA 0.738 56.335 55.803 -0.342 0.000 0.884 508 Q CB -1.621 27.103 28.738 -0.023 0.000 1.245 508 Q HN 0.827 nan 8.270 nan 0.000 0.488 509 Q N 0.347 120.168 119.800 0.035 0.000 2.314 509 Q HA 0.433 4.777 4.340 0.007 0.000 0.258 509 Q C -0.357 175.910 176.000 0.446 0.000 0.954 509 Q CA 0.133 56.049 55.803 0.189 0.000 0.890 509 Q CB 0.543 29.340 28.738 0.099 0.000 1.210 509 Q HN 0.334 nan 8.270 nan 0.000 0.410 510 Y N -1.779 118.647 120.300 0.211 0.000 2.625 510 Y HA 0.683 5.243 4.550 0.017 0.000 0.338 510 Y C -1.129 174.788 175.900 0.029 0.000 1.123 510 Y CA -1.546 56.679 58.100 0.208 0.000 1.046 510 Y CB 0.521 39.111 38.460 0.216 0.000 1.299 510 Y HN 0.357 nan 8.280 nan 0.000 0.464 511 V N -0.116 119.724 119.914 -0.123 0.000 2.769 511 V HA 0.852 4.976 4.120 0.007 0.000 0.312 511 V C -0.093 175.910 176.094 -0.151 0.000 1.058 511 V CA -0.450 61.629 62.300 -0.370 0.000 0.952 511 V CB 1.235 32.579 31.823 -0.798 0.000 1.019 511 V HN 1.217 nan 8.190 nan 0.000 0.445 512 S N 3.817 119.428 115.700 -0.149 0.000 2.562 512 S HA 0.697 5.171 4.470 0.007 0.000 0.275 512 S C -0.480 174.092 174.600 -0.047 0.000 1.281 512 S CA -0.677 57.509 58.200 -0.022 0.000 1.045 512 S CB 0.708 63.886 63.200 -0.037 0.000 0.962 512 S HN 0.781 nan 8.310 nan 0.000 0.503 513 L N 4.474 125.717 121.223 0.033 0.000 2.301 513 L HA 0.527 4.871 4.340 0.007 0.000 0.278 513 L C 0.267 177.051 176.870 -0.143 0.000 1.022 513 L CA -0.386 54.494 54.840 0.066 0.000 0.854 513 L CB 0.064 42.261 42.059 0.231 0.000 1.226 513 L HN 0.933 nan 8.230 nan 0.000 0.429 514 N N 2.516 121.072 118.700 -0.240 0.000 3.439 514 N HA 0.343 5.087 4.740 0.007 0.000 0.313 514 N C 0.456 175.430 175.510 -0.893 0.000 1.598 514 N CA -0.932 51.715 53.050 -0.671 0.000 0.830 514 N CB 1.420 39.678 38.487 -0.381 0.000 1.849 514 N HN 0.170 nan 8.380 nan 0.000 0.598 515 L N -0.231 120.465 121.223 -0.878 0.000 2.201 515 L HA 0.008 4.352 4.340 0.007 0.000 0.212 515 L C 0.798 177.484 176.870 -0.307 0.000 1.105 515 L CA 1.124 55.560 54.840 -0.673 0.000 0.775 515 L CB -0.536 41.204 42.059 -0.532 0.000 0.913 515 L HN 0.363 nan 8.230 nan 0.000 0.440 516 K N 0.224 120.487 120.400 -0.228 0.000 2.219 516 K HA 0.208 4.532 4.320 0.007 0.000 0.258 516 K C -2.144 174.418 176.600 -0.063 0.000 1.008 516 K CA -1.779 54.438 56.287 -0.116 0.000 0.928 516 K CB -0.037 32.406 32.500 -0.095 0.000 0.983 516 K HN -0.190 nan 8.250 nan 0.000 0.484 517 P HA -0.050 nan 4.420 nan 0.000 0.269 517 P C -0.379 176.927 177.300 0.011 0.000 1.217 517 P CA -0.098 63.017 63.100 0.024 0.000 0.783 517 P CB 0.377 32.091 31.700 0.024 0.000 0.898 518 L N 1.385 122.632 121.223 0.040 0.000 2.615 518 L HA -0.086 4.258 4.340 0.007 0.000 0.284 518 L C 1.092 177.926 176.870 -0.060 0.000 1.237 518 L CA 0.942 55.761 54.840 -0.034 0.000 0.905 518 L CB -0.285 41.745 42.059 -0.047 0.000 1.149 518 L HN 0.519 nan 8.230 nan 0.000 0.499 519 E N 3.145 123.281 120.200 -0.106 0.000 2.199 519 E HA 0.381 4.735 4.350 0.007 0.000 0.265 519 E C -1.372 175.128 176.600 -0.167 0.000 0.882 519 E CA -0.806 55.530 56.400 -0.105 0.000 0.759 519 E CB 1.945 31.593 29.700 -0.087 0.000 1.148 519 E HN 0.294 nan 8.360 nan 0.000 0.412 520 V N 5.251 125.080 119.914 -0.143 0.000 2.455 520 V HA 0.338 4.462 4.120 0.007 0.000 0.273 520 V C 0.309 176.263 176.094 -0.232 0.000 1.045 520 V CA -0.109 62.083 62.300 -0.180 0.000 0.976 520 V CB 0.682 32.456 31.823 -0.082 0.000 0.993 520 V HN 0.669 nan 8.190 nan 0.000 0.475 521 R N 4.516 124.745 120.500 -0.451 0.000 2.778 521 R HA 0.691 5.035 4.340 0.007 0.000 0.277 521 R C -0.683 175.395 176.300 -0.371 0.000 0.977 521 R CA -0.962 54.859 56.100 -0.466 0.000 0.950 521 R CB 2.206 32.107 30.300 -0.666 0.000 1.165 521 R HN 0.605 nan 8.270 nan 0.000 0.474 522 R N 0.677 121.143 120.500 -0.056 0.000 2.445 522 R HA 0.484 4.828 4.340 0.007 0.000 0.308 522 R C -0.383 176.089 176.300 0.286 0.000 0.961 522 R CA -0.722 55.448 56.100 0.117 0.000 0.862 522 R CB 1.935 32.271 30.300 0.061 0.000 1.144 522 R HN 0.893 nan 8.270 nan 0.000 0.447 523 G N 2.076 111.101 108.800 0.376 0.000 3.399 523 G HA2 -0.209 3.755 3.960 0.007 0.000 0.685 523 G HA3 -0.209 3.755 3.960 0.007 0.000 0.685 523 G C -1.036 174.052 174.900 0.313 0.000 0.952 523 G CA -0.921 44.363 45.100 0.307 0.000 0.793 523 G HN 0.385 nan 8.290 nan 0.000 0.492 524 L N 4.449 125.760 121.223 0.147 0.000 2.328 524 L HA 0.512 4.856 4.340 0.007 0.000 0.280 524 L C 1.598 178.471 176.870 0.005 0.000 1.111 524 L CA -0.559 54.206 54.840 -0.124 0.000 0.909 524 L CB -0.222 41.691 42.059 -0.243 0.000 1.277 524 L HN 0.695 nan 8.230 nan 0.000 0.433 525 R N 2.751 123.288 120.500 0.062 0.000 3.301 525 R HA -0.286 4.058 4.340 0.007 0.000 0.249 525 R C 1.359 177.749 176.300 0.149 0.000 0.964 525 R CA 0.697 56.873 56.100 0.126 0.000 0.653 525 R CB -2.136 28.250 30.300 0.143 0.000 1.043 525 R HN 0.735 nan 8.270 nan 0.000 0.454 526 A N 0.598 123.504 122.820 0.144 0.000 1.873 526 A HA -0.305 4.019 4.320 0.007 0.000 0.218 526 A C 2.111 179.784 177.584 0.148 0.000 1.193 526 A CA 1.878 54.001 52.037 0.143 0.000 0.629 526 A CB -0.233 18.847 19.000 0.133 0.000 0.826 526 A HN 0.451 nan 8.150 nan 0.000 0.447 527 Q N -0.846 119.039 119.800 0.142 0.000 2.050 527 Q HA -0.101 4.244 4.340 0.007 0.000 0.202 527 Q C 2.205 178.325 176.000 0.199 0.000 0.980 527 Q CA 2.481 58.370 55.803 0.144 0.000 0.840 527 Q CB -0.763 28.042 28.738 0.111 0.000 0.898 527 Q HN 0.632 nan 8.270 nan 0.000 0.424 528 T N -0.860 113.834 114.554 0.234 0.000 2.821 528 T HA -0.129 4.225 4.350 0.007 0.000 0.267 528 T C 1.858 176.780 174.700 0.369 0.000 1.046 528 T CA 1.291 63.574 62.100 0.304 0.000 1.139 528 T CB -0.472 68.589 68.868 0.321 0.000 0.871 528 T HN 0.354 nan 8.240 nan 0.000 0.454 529 c N 1.620 120.419 118.600 0.333 0.000 2.448 529 c HA 0.265 4.839 4.570 0.007 0.000 0.280 529 c C 3.112 177.362 174.090 0.265 0.000 1.398 529 c CA -0.056 56.480 56.329 0.345 0.000 1.774 529 c CB -1.431 41.214 42.510 0.225 0.000 1.888 529 c HN 0.639 nan 8.230 nan 0.000 0.519 530 A N 0.130 123.075 122.820 0.209 0.000 1.972 530 A HA -0.173 4.151 4.320 0.007 0.000 0.219 530 A C 1.837 179.518 177.584 0.163 0.000 1.169 530 A CA 1.492 53.627 52.037 0.164 0.000 0.635 530 A CB -0.709 18.374 19.000 0.139 0.000 0.810 530 A HN 0.567 nan 8.150 nan 0.000 0.446 531 F N -0.745 119.189 119.950 -0.027 0.000 2.051 531 F HA -0.155 4.375 4.527 0.005 0.000 0.296 531 F C 1.976 177.722 175.800 -0.091 0.000 1.122 531 F CA 1.796 59.691 58.000 -0.174 0.000 1.201 531 F CB -0.596 38.020 39.000 -0.641 0.000 0.978 531 F HN 0.362 nan 8.300 nan 0.000 0.472 532 W N 0.786 122.071 121.300 -0.026 0.000 2.358 532 W HA -0.158 4.504 4.660 0.004 0.000 0.303 532 W C 2.152 178.616 176.519 -0.092 0.000 1.208 532 W CA 1.078 58.365 57.345 -0.098 0.000 1.274 532 W CB -0.561 28.974 29.460 0.124 0.000 1.138 532 W HN 0.013 nan 8.180 nan 0.000 0.515 533 N N -0.566 118.246 118.700 0.186 0.000 2.409 533 N HA 0.057 4.801 4.740 0.007 0.000 0.174 533 N C 1.501 177.037 175.510 0.044 0.000 1.037 533 N CA 0.811 53.922 53.050 0.101 0.000 0.898 533 N CB -0.127 38.421 38.487 0.102 0.000 1.010 533 N HN 0.250 nan 8.380 nan 0.000 0.445 534 R N -1.178 119.349 120.500 0.045 0.000 2.167 534 R HA 0.231 4.575 4.340 0.007 0.000 0.195 534 R C 1.471 177.792 176.300 0.035 0.000 1.027 534 R CA 0.038 56.166 56.100 0.047 0.000 1.114 534 R CB -0.139 30.212 30.300 0.085 0.000 1.075 534 R HN 0.027 nan 8.270 nan 0.000 0.538 535 F N 1.412 121.275 119.950 -0.144 0.000 2.147 535 F HA 0.057 4.588 4.527 0.007 0.000 0.291 535 F C 1.935 177.581 175.800 -0.257 0.000 1.093 535 F CA 0.903 58.797 58.000 -0.175 0.000 1.263 535 F CB -0.260 38.651 39.000 -0.149 0.000 1.036 535 F HN -0.139 nan 8.300 nan 0.000 0.481 536 L N 0.951 121.863 121.223 -0.518 0.000 1.997 536 L HA -0.204 4.140 4.340 0.007 0.000 0.216 536 L C -0.419 176.223 176.870 -0.379 0.000 1.074 536 L CA 2.509 57.008 54.840 -0.568 0.000 0.763 536 L CB -2.128 39.598 42.059 -0.555 0.000 0.890 536 L HN 0.112 nan 8.230 nan 0.000 0.434 537 P HA -0.211 nan 4.420 nan 0.000 0.213 537 P C 1.447 178.618 177.300 -0.214 0.000 1.170 537 P CA 1.629 64.628 63.100 -0.169 0.000 0.902 537 P CB -0.028 31.609 31.700 -0.105 0.000 0.789 538 K N -1.239 119.007 120.400 -0.257 0.000 2.218 538 K HA -0.165 4.159 4.320 0.007 0.000 0.205 538 K C 1.906 178.297 176.600 -0.349 0.000 1.046 538 K CA 0.954 57.084 56.287 -0.261 0.000 0.933 538 K CB -0.747 31.617 32.500 -0.226 0.000 0.728 538 K HN 0.038 nan 8.250 nan 0.000 0.454 539 L N 0.460 121.358 121.223 -0.542 0.000 2.131 539 L HA -0.022 4.322 4.340 0.007 0.000 0.206 539 L C 1.557 178.278 176.870 -0.249 0.000 1.087 539 L CA 1.441 55.996 54.840 -0.475 0.000 0.767 539 L CB -0.102 41.557 42.059 -0.666 0.000 0.917 539 L HN 0.119 nan 8.230 nan 0.000 0.441 540 L N -1.121 119.971 121.223 -0.217 0.000 2.291 540 L HA -0.061 4.283 4.340 0.007 0.000 0.214 540 L C 1.980 178.789 176.870 -0.102 0.000 1.120 540 L CA 0.552 55.314 54.840 -0.130 0.000 0.799 540 L CB -0.397 41.599 42.059 -0.105 0.000 0.925 540 L HN 0.143 nan 8.230 nan 0.000 0.446 541 S N -0.174 115.458 115.700 -0.114 0.000 2.653 541 S HA 0.236 4.710 4.470 0.007 0.000 0.233 541 S C 0.544 175.102 174.600 -0.070 0.000 0.970 541 S CA 0.512 58.662 58.200 -0.084 0.000 0.947 541 S CB -0.268 62.881 63.200 -0.085 0.000 0.771 541 S HN 0.459 nan 8.310 nan 0.000 0.538 542 A N 0.000 122.776 122.820 -0.073 0.000 2.254 542 A HA 0.000 4.324 4.320 0.007 0.000 0.244 542 A CA 0.000 52.005 52.037 -0.054 0.000 0.836 542 A CB 0.000 18.969 19.000 -0.052 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486