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 2jey_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 GESAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcXXX XXXXNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSYFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.616 176.600 0.026 0.000 1.382 1 E CA 0.000 56.421 56.400 0.035 0.000 0.976 1 E CB 0.000 29.722 29.700 0.037 0.000 0.812 2 G N 4.034 112.848 108.800 0.024 0.000 3.246 2 G HA2 -0.221 3.743 3.960 0.007 0.000 0.196 2 G HA3 -0.221 3.743 3.960 0.007 0.000 0.196 2 G C 0.872 175.783 174.900 0.018 0.000 2.019 2 G CA 0.099 45.210 45.100 0.019 0.000 1.385 2 G HN 0.351 nan 8.290 nan 0.000 0.484 3 R N 2.066 122.576 120.500 0.018 0.000 2.210 3 R HA 0.298 4.643 4.340 0.007 0.000 0.203 3 R C 1.470 177.781 176.300 0.019 0.000 1.010 3 R CA 1.243 57.352 56.100 0.016 0.000 1.008 3 R CB -0.079 30.228 30.300 0.012 0.000 0.923 3 R HN 0.781 nan 8.270 nan 0.000 0.469 4 E N -0.267 119.947 120.200 0.024 0.000 2.602 4 E HA 0.085 4.439 4.350 0.007 0.000 0.255 4 E C -0.742 175.882 176.600 0.041 0.000 1.268 4 E CA -0.790 55.628 56.400 0.029 0.000 1.007 4 E CB 0.319 30.037 29.700 0.030 0.000 1.208 4 E HN -0.179 nan 8.360 nan 0.000 0.584 5 D N 1.244 121.676 120.400 0.052 0.000 2.338 5 D HA 0.068 4.712 4.640 0.007 0.000 0.255 5 D C -1.402 174.948 176.300 0.084 0.000 1.237 5 D CA -2.536 51.512 54.000 0.079 0.000 0.883 5 D CB 1.080 41.946 40.800 0.109 0.000 1.087 5 D HN 0.145 nan 8.370 nan 0.000 0.485 6 P HA -0.181 nan 4.420 nan 0.000 0.220 6 P C 0.704 178.030 177.300 0.045 0.000 1.144 6 P CA 1.067 64.193 63.100 0.044 0.000 0.800 6 P CB 0.346 32.059 31.700 0.022 0.000 0.772 7 Q N -1.120 118.707 119.800 0.045 0.000 2.403 7 Q HA 0.172 4.517 4.340 0.007 0.000 0.203 7 Q C 1.613 177.696 176.000 0.138 0.000 0.932 7 Q CA 0.296 56.094 55.803 -0.008 0.000 0.945 7 Q CB -0.119 28.446 28.738 -0.288 0.000 1.045 7 Q HN 0.303 nan 8.270 nan 0.000 0.511 8 L N -0.117 121.220 121.223 0.189 0.000 2.858 8 L HA 0.277 4.621 4.340 0.007 0.000 0.251 8 L C -0.449 176.640 176.870 0.365 0.000 1.149 8 L CA -0.062 54.925 54.840 0.246 0.000 0.955 8 L CB 0.677 42.794 42.059 0.097 0.000 1.289 8 L HN 0.101 nan 8.230 nan 0.000 0.542 9 L N 0.941 122.313 121.223 0.249 0.000 2.280 9 L HA 0.536 4.880 4.340 0.007 0.000 0.287 9 L C -0.739 176.190 176.870 0.099 0.000 1.023 9 L CA -0.471 54.485 54.840 0.194 0.000 0.819 9 L CB 1.795 43.920 42.059 0.109 0.000 1.212 9 L HN -0.239 nan 8.230 nan 0.000 0.420 10 V N 3.189 123.123 119.914 0.034 0.000 2.789 10 V HA 0.486 4.611 4.120 0.007 0.000 0.311 10 V C -0.238 175.762 176.094 -0.155 0.000 1.073 10 V CA -0.769 61.391 62.300 -0.234 0.000 0.921 10 V CB 2.593 33.971 31.823 -0.742 0.000 1.009 10 V HN 0.709 nan 8.190 nan 0.000 0.426 11 R N 2.326 122.715 120.500 -0.185 0.000 2.428 11 R HA 0.798 5.142 4.340 0.007 0.000 0.294 11 R C -0.745 175.446 176.300 -0.182 0.000 1.000 11 R CA -0.304 55.725 56.100 -0.119 0.000 0.960 11 R CB 1.685 31.918 30.300 -0.112 0.000 1.076 11 R HN 0.704 nan 8.270 nan 0.000 0.475 12 V N 1.544 121.413 119.914 -0.073 0.000 3.158 12 V HA 0.495 4.619 4.120 0.007 0.000 0.315 12 V C 1.038 177.045 176.094 -0.145 0.000 1.148 12 V CA -1.068 61.179 62.300 -0.089 0.000 1.042 12 V CB 1.603 33.525 31.823 0.166 0.000 1.101 12 V HN 0.801 nan 8.190 nan 0.000 0.448 13 R N 1.700 122.095 120.500 -0.175 0.000 2.103 13 R HA -0.046 4.298 4.340 0.007 0.000 0.242 13 R C 1.879 178.048 176.300 -0.217 0.000 1.142 13 R CA 2.413 58.411 56.100 -0.170 0.000 0.960 13 R CB -1.317 28.895 30.300 -0.147 0.000 0.858 13 R HN 1.058 nan 8.270 nan 0.000 0.439 14 G N -1.859 106.795 108.800 -0.242 0.000 2.598 14 G HA2 0.313 4.277 3.960 0.007 0.000 0.215 14 G HA3 0.313 4.277 3.960 0.007 0.000 0.215 14 G C 0.497 174.488 174.900 -1.515 0.000 1.131 14 G CA 0.617 45.306 45.100 -0.686 0.000 0.785 14 G HN 0.776 nan 8.290 nan 0.000 0.539 15 G N -1.189 107.034 108.800 -0.961 0.000 2.270 15 G HA2 0.046 4.010 3.960 0.007 0.000 0.268 15 G HA3 0.046 4.010 3.960 0.007 0.000 0.268 15 G C -1.066 173.717 174.900 -0.195 0.000 1.312 15 G CA -0.572 44.043 45.100 -0.808 0.000 1.050 15 G HN 0.386 nan 8.290 nan 0.000 0.474 16 Q N -0.210 119.648 119.800 0.095 0.000 2.256 16 Q HA 0.710 5.055 4.340 0.007 0.000 0.254 16 Q C -0.527 175.770 176.000 0.496 0.000 0.916 16 Q CA -0.358 55.599 55.803 0.257 0.000 0.932 16 Q CB 1.077 29.917 28.738 0.170 0.000 1.207 16 Q HN 0.477 nan 8.270 nan 0.000 0.426 17 L N 2.782 124.224 121.223 0.364 0.000 2.362 17 L HA 0.619 4.963 4.340 0.007 0.000 0.271 17 L C -0.459 176.619 176.870 0.347 0.000 1.002 17 L CA -0.784 54.285 54.840 0.382 0.000 0.818 17 L CB 2.016 44.341 42.059 0.444 0.000 1.298 17 L HN 0.468 nan 8.230 nan 0.000 0.420 18 R N 1.026 121.703 120.500 0.296 0.000 2.310 18 R HA 0.627 4.971 4.340 0.007 0.000 0.324 18 R C -0.138 176.275 176.300 0.189 0.000 0.955 18 R CA -0.297 55.951 56.100 0.246 0.000 0.830 18 R CB 1.491 31.865 30.300 0.123 0.000 1.154 18 R HN 0.832 nan 8.270 nan 0.000 0.458 19 G N 3.174 112.022 108.800 0.079 0.000 2.583 19 G HA2 0.459 4.423 3.960 0.007 0.000 0.280 19 G HA3 0.459 4.423 3.960 0.007 0.000 0.280 19 G C -1.028 173.629 174.900 -0.405 0.000 1.376 19 G CA -0.659 44.106 45.100 -0.559 0.000 1.043 19 G HN 0.578 nan 8.290 nan 0.000 0.538 20 I N -0.929 119.338 120.570 -0.506 0.000 2.533 20 I HA 0.453 4.627 4.170 0.007 0.000 0.290 20 I C 0.083 176.033 176.117 -0.279 0.000 1.056 20 I CA -0.968 60.147 61.300 -0.309 0.000 1.057 20 I CB 1.983 39.814 38.000 -0.281 0.000 1.240 20 I HN 0.387 nan 8.210 nan 0.000 0.423 21 R N 7.804 128.175 120.500 -0.216 0.000 2.288 21 R HA 0.408 4.753 4.340 0.007 0.000 0.330 21 R C -1.451 174.710 176.300 -0.232 0.000 1.069 21 R CA -0.158 55.770 56.100 -0.285 0.000 0.941 21 R CB 0.240 30.303 30.300 -0.394 0.000 0.998 21 R HN 0.633 nan 8.270 nan 0.000 0.452 22 L N 4.264 125.377 121.223 -0.183 0.000 2.322 22 L HA 0.379 4.724 4.340 0.007 0.000 0.279 22 L C 0.443 177.241 176.870 -0.120 0.000 1.036 22 L CA -0.813 53.952 54.840 -0.124 0.000 0.807 22 L CB 1.723 43.751 42.059 -0.053 0.000 1.226 22 L HN 0.411 nan 8.230 nan 0.000 0.433 23 K N 2.363 122.704 120.400 -0.099 0.000 2.383 23 K HA 0.438 4.762 4.320 0.007 0.000 0.286 23 K C -0.420 176.146 176.600 -0.056 0.000 1.051 23 K CA -0.157 56.086 56.287 -0.073 0.000 0.974 23 K CB 1.227 33.696 32.500 -0.053 0.000 0.968 23 K HN 0.701 nan 8.250 nan 0.000 0.475 24 A N 5.539 128.336 122.820 -0.038 0.000 2.311 24 A HA 0.463 4.788 4.320 0.007 0.000 0.334 24 A C -1.837 175.787 177.584 0.067 0.000 1.139 24 A CA -1.677 50.361 52.037 0.003 0.000 0.830 24 A CB 0.737 19.725 19.000 -0.021 0.000 1.234 24 A HN 0.412 nan 8.150 nan 0.000 0.483 25 P HA -0.234 nan 4.420 nan 0.000 0.221 25 P C 1.410 178.746 177.300 0.060 0.000 1.160 25 P CA 2.576 65.731 63.100 0.093 0.000 0.933 25 P CB 0.035 31.798 31.700 0.104 0.000 0.793 26 G N -2.158 106.684 108.800 0.069 0.000 2.848 26 G HA2 0.374 4.338 3.960 0.007 0.000 0.208 26 G HA3 0.374 4.338 3.960 0.007 0.000 0.208 26 G C 0.660 175.585 174.900 0.041 0.000 1.152 26 G CA 0.585 45.714 45.100 0.049 0.000 0.789 26 G HN 0.707 nan 8.290 nan 0.000 0.531 27 G N -0.379 108.441 108.800 0.034 0.000 2.316 27 G HA2 0.142 4.106 3.960 0.007 0.000 0.349 27 G HA3 0.142 4.106 3.960 0.007 0.000 0.349 27 G C -3.250 171.651 174.900 0.001 0.000 1.274 27 G CA -0.471 44.640 45.100 0.019 0.000 1.018 27 G HN 0.160 nan 8.290 nan 0.000 0.486 28 P HA 0.551 nan 4.420 nan 0.000 0.281 28 P C -0.120 177.183 177.300 0.004 0.000 1.249 28 P CA -0.167 62.870 63.100 -0.104 0.000 0.810 28 P CB 1.651 33.167 31.700 -0.307 0.000 1.008 29 V N -1.182 118.724 119.914 -0.013 0.000 2.823 29 V HA 0.584 4.708 4.120 0.007 0.000 0.312 29 V C -0.083 176.082 176.094 0.118 0.000 1.072 29 V CA -0.894 61.479 62.300 0.123 0.000 0.937 29 V CB 1.607 33.521 31.823 0.151 0.000 1.013 29 V HN 0.431 nan 8.190 nan 0.000 0.430 30 S N 2.016 117.867 115.700 0.251 0.000 2.565 30 S HA 0.808 5.282 4.470 0.007 0.000 0.274 30 S C 0.133 174.720 174.600 -0.022 0.000 1.309 30 S CA 0.129 58.421 58.200 0.153 0.000 1.043 30 S CB 1.175 64.586 63.200 0.351 0.000 0.939 30 S HN 1.612 nan 8.310 nan 0.000 0.504 31 A N 2.457 125.033 122.820 -0.406 0.000 2.422 31 A HA 0.779 5.103 4.320 0.007 0.000 0.302 31 A C -1.387 175.716 177.584 -0.802 0.000 1.041 31 A CA -0.639 51.070 52.037 -0.547 0.000 0.708 31 A CB 0.705 19.385 19.000 -0.534 0.000 1.257 31 A HN 0.678 nan 8.150 nan 0.000 0.414 32 F N 2.654 122.399 119.950 -0.341 0.000 2.552 32 F HA 0.462 4.993 4.527 0.007 0.000 0.369 32 F C -0.282 175.318 175.800 -0.332 0.000 1.112 32 F CA -0.248 57.639 58.000 -0.188 0.000 1.129 32 F CB 1.291 40.323 39.000 0.053 0.000 1.360 32 F HN 0.383 nan 8.300 nan 0.000 0.473 33 L N 1.598 122.646 121.223 -0.291 0.000 2.344 33 L HA 0.728 5.073 4.340 0.007 0.000 0.272 33 L C 1.050 177.815 176.870 -0.175 0.000 1.035 33 L CA -1.068 53.548 54.840 -0.375 0.000 0.807 33 L CB 1.491 43.081 42.059 -0.781 0.000 1.237 33 L HN 0.756 nan 8.230 nan 0.000 0.442 34 G N 2.632 111.400 108.800 -0.054 0.000 2.366 34 G HA2 -0.269 3.695 3.960 0.007 0.000 0.299 34 G HA3 -0.269 3.695 3.960 0.007 0.000 0.299 34 G C -0.131 174.790 174.900 0.034 0.000 1.020 34 G CA -0.159 44.920 45.100 -0.036 0.000 1.026 34 G HN 0.452 nan 8.290 nan 0.000 0.512 35 I N 2.092 122.700 120.570 0.063 0.000 2.396 35 I HA 0.213 4.388 4.170 0.007 0.000 0.289 35 I C -1.264 174.923 176.117 0.116 0.000 1.056 35 I CA -2.130 59.202 61.300 0.053 0.000 1.365 35 I CB 0.981 38.973 38.000 -0.013 0.000 1.407 35 I HN 0.027 nan 8.210 nan 0.000 0.509 36 P HA -0.016 nan 4.420 nan 0.000 0.271 36 P C -0.271 177.018 177.300 -0.017 0.000 1.216 36 P CA 0.182 63.190 63.100 -0.154 0.000 0.771 36 P CB 0.513 32.113 31.700 -0.167 0.000 0.864 37 F N 0.758 120.581 119.950 -0.212 0.000 2.798 37 F HA 0.716 5.248 4.527 0.008 0.000 0.328 37 F C -0.146 175.660 175.800 0.010 0.000 1.098 37 F CA -0.727 57.217 58.000 -0.095 0.000 1.172 37 F CB 0.208 39.021 39.000 -0.312 0.000 1.072 37 F HN 0.358 nan 8.300 nan 0.000 0.555 38 A N 0.220 122.724 122.820 -0.526 0.000 2.572 38 A HA 0.591 4.916 4.320 0.007 0.000 0.295 38 A C -0.886 176.517 177.584 -0.301 0.000 1.072 38 A CA -0.722 51.105 52.037 -0.349 0.000 0.691 38 A CB 1.019 19.721 19.000 -0.497 0.000 1.291 38 A HN 0.059 nan 8.150 nan 0.000 0.404 39 E N 1.403 121.517 120.200 -0.144 0.000 2.465 39 E HA 0.174 4.528 4.350 0.007 0.000 0.260 39 E C -2.291 174.201 176.600 -0.181 0.000 0.980 39 E CA -1.226 55.107 56.400 -0.113 0.000 0.927 39 E CB -0.021 29.652 29.700 -0.045 0.000 0.934 39 E HN 0.230 nan 8.360 nan 0.000 0.459 40 P HA -0.048 nan 4.420 nan 0.000 0.258 40 P C -2.193 175.028 177.300 -0.133 0.000 1.172 40 P CA -0.508 62.487 63.100 -0.176 0.000 0.762 40 P CB -0.036 31.607 31.700 -0.095 0.000 0.764 41 P HA -0.011 nan 4.420 nan 0.000 0.225 41 P C -0.047 177.191 177.300 -0.102 0.000 1.768 41 P CA 0.188 63.225 63.100 -0.105 0.000 0.943 41 P CB -0.180 31.462 31.700 -0.096 0.000 1.936 42 V N -2.330 117.530 119.914 -0.089 0.000 3.302 42 V HA 0.862 4.986 4.120 0.007 0.000 0.316 42 V C 1.193 177.242 176.094 -0.075 0.000 1.111 42 V CA 0.247 62.495 62.300 -0.088 0.000 1.029 42 V CB 0.513 32.294 31.823 -0.070 0.000 1.170 42 V HN 0.515 nan 8.190 nan 0.000 0.452 43 G N 1.775 110.532 108.800 -0.071 0.000 2.665 43 G HA2 -0.398 3.566 3.960 0.007 0.000 0.326 43 G HA3 -0.398 3.566 3.960 0.007 0.000 0.326 43 G C 1.339 176.209 174.900 -0.049 0.000 1.231 43 G CA 2.231 47.301 45.100 -0.051 0.000 0.992 43 G HN 2.370 nan 8.290 nan 0.000 0.549 44 S N 0.398 116.083 115.700 -0.025 0.000 2.515 44 S HA 0.064 4.539 4.470 0.007 0.000 0.231 44 S C 1.883 176.477 174.600 -0.009 0.000 0.987 44 S CA 1.508 59.704 58.200 -0.007 0.000 0.936 44 S CB -0.037 63.166 63.200 0.005 0.000 0.766 44 S HN 0.665 nan 8.310 nan 0.000 0.528 45 R N 0.870 121.350 120.500 -0.034 0.000 2.317 45 R HA 0.244 4.588 4.340 0.007 0.000 0.208 45 R C 0.759 177.017 176.300 -0.070 0.000 0.914 45 R CA -0.242 55.839 56.100 -0.032 0.000 1.060 45 R CB -0.035 30.245 30.300 -0.034 0.000 1.015 45 R HN 0.427 nan 8.270 nan 0.000 0.498 46 R N 0.799 121.209 120.500 -0.149 0.000 2.585 46 R HA -0.125 4.220 4.340 0.007 0.000 0.275 46 R C -0.205 175.900 176.300 -0.325 0.000 1.018 46 R CA 0.563 56.440 56.100 -0.373 0.000 1.072 46 R CB 0.152 30.085 30.300 -0.611 0.000 0.953 46 R HN 0.081 nan 8.270 nan 0.000 0.419 47 F N -0.922 119.040 119.950 0.019 0.000 2.666 47 F HA -0.304 4.227 4.527 0.007 0.000 0.458 47 F C 0.204 175.992 175.800 -0.020 0.000 0.561 47 F CA 0.625 58.610 58.000 -0.025 0.000 1.129 47 F CB -1.390 37.584 39.000 -0.043 0.000 1.751 47 F HN 0.450 nan 8.300 nan 0.000 0.275 48 M N 1.490 121.160 119.600 0.117 0.000 2.288 48 M HA 0.362 4.846 4.480 0.007 0.000 0.334 48 M C -1.814 174.516 176.300 0.050 0.000 1.150 48 M CA -1.925 53.422 55.300 0.079 0.000 1.118 48 M CB 0.172 32.803 32.600 0.052 0.000 1.501 48 M HN -0.331 nan 8.290 nan 0.000 0.462 49 P HA 0.071 nan 4.420 nan 0.000 0.267 49 P C -2.432 174.896 177.300 0.047 0.000 1.201 49 P CA -0.500 62.634 63.100 0.057 0.000 0.775 49 P CB -0.632 31.111 31.700 0.072 0.000 0.854 50 P HA 0.144 nan 4.420 nan 0.000 0.271 50 P C -0.552 176.779 177.300 0.052 0.000 1.218 50 P CA 0.167 63.289 63.100 0.037 0.000 0.780 50 P CB 0.819 32.566 31.700 0.078 0.000 0.901 51 E N 2.837 123.051 120.200 0.024 0.000 2.204 51 E HA 0.352 4.706 4.350 0.007 0.000 0.276 51 E C -2.245 174.388 176.600 0.056 0.000 0.974 51 E CA -2.365 54.061 56.400 0.043 0.000 0.815 51 E CB 0.378 30.095 29.700 0.028 0.000 1.119 51 E HN 0.331 nan 8.360 nan 0.000 0.393 52 P HA -0.131 nan 4.420 nan 0.000 0.263 52 P C -0.766 176.602 177.300 0.113 0.000 1.175 52 P CA 0.178 63.360 63.100 0.136 0.000 0.761 52 P CB 0.358 32.135 31.700 0.129 0.000 0.794 53 K N 4.349 124.840 120.400 0.153 0.000 2.447 53 K HA 0.002 4.327 4.320 0.007 0.000 0.281 53 K C 0.011 176.719 176.600 0.180 0.000 1.031 53 K CA 0.487 56.865 56.287 0.152 0.000 1.019 53 K CB 0.086 32.736 32.500 0.250 0.000 0.918 53 K HN 0.267 nan 8.250 nan 0.000 0.476 54 R N 5.614 126.199 120.500 0.142 0.000 2.489 54 R HA 0.100 4.444 4.340 0.007 0.000 0.287 54 R C -2.001 174.393 176.300 0.158 0.000 1.053 54 R CA -1.560 54.609 56.100 0.116 0.000 1.036 54 R CB 0.091 30.444 30.300 0.088 0.000 0.966 54 R HN 0.595 nan 8.270 nan 0.000 0.432 55 P HA -0.125 nan 4.420 nan 0.000 0.265 55 P C -0.975 176.321 177.300 -0.006 0.000 1.187 55 P CA 0.370 63.377 63.100 -0.155 0.000 0.766 55 P CB 0.298 31.877 31.700 -0.201 0.000 0.820 56 W N 1.550 122.887 121.300 0.062 0.000 2.594 56 W HA 0.704 5.368 4.660 0.007 0.000 0.365 56 W C -0.452 176.095 176.519 0.046 0.000 1.196 56 W CA -0.889 56.489 57.345 0.054 0.000 1.258 56 W CB -0.081 29.420 29.460 0.068 0.000 1.405 56 W HN 0.364 nan 8.180 nan 0.000 0.640 57 S N 0.723 116.599 115.700 0.294 0.000 2.638 57 S HA 0.834 5.308 4.470 0.007 0.000 0.298 57 S C 0.406 175.160 174.600 0.257 0.000 1.111 57 S CA -0.095 58.203 58.200 0.163 0.000 1.027 57 S CB 0.937 64.197 63.200 0.100 0.000 1.064 57 S HN 2.083 nan 8.310 nan 0.000 0.525 58 G N 0.165 109.065 108.800 0.166 0.000 2.645 58 G HA2 -0.156 3.808 3.960 0.007 0.000 0.246 58 G HA3 -0.156 3.808 3.960 0.007 0.000 0.246 58 G C -0.623 174.434 174.900 0.262 0.000 1.322 58 G CA -0.269 44.932 45.100 0.168 0.000 0.898 58 G HN 1.621 nan 8.290 nan 0.000 0.573 59 V N 0.879 120.917 119.914 0.206 0.000 2.407 59 V HA 0.531 4.656 4.120 0.007 0.000 0.278 59 V C 0.930 177.135 176.094 0.185 0.000 1.037 59 V CA -0.287 62.150 62.300 0.229 0.000 0.900 59 V CB 1.286 33.199 31.823 0.150 0.000 0.983 59 V HN 0.786 nan 8.190 nan 0.000 0.459 60 L N 4.433 125.781 121.223 0.207 0.000 2.367 60 L HA 0.341 4.686 4.340 0.007 0.000 0.275 60 L C 0.538 177.401 176.870 -0.012 0.000 1.129 60 L CA -0.048 54.740 54.840 -0.087 0.000 0.839 60 L CB 0.751 42.504 42.059 -0.509 0.000 1.133 60 L HN 0.690 nan 8.230 nan 0.000 0.453 61 D N 4.808 125.170 120.400 -0.062 0.000 2.336 61 D HA 0.157 4.802 4.640 0.007 0.000 0.249 61 D C -0.313 175.943 176.300 -0.072 0.000 1.213 61 D CA -0.031 53.942 54.000 -0.046 0.000 0.870 61 D CB 1.501 42.263 40.800 -0.063 0.000 1.076 61 D HN 0.660 nan 8.370 nan 0.000 0.483 62 A N 3.279 126.088 122.820 -0.018 0.000 3.106 62 A HA 0.183 4.507 4.320 0.007 0.000 0.306 62 A C 1.164 178.662 177.584 -0.144 0.000 1.192 62 A CA -0.366 51.653 52.037 -0.030 0.000 0.994 62 A CB -0.150 18.952 19.000 0.169 0.000 1.107 62 A HN 0.576 nan 8.150 nan 0.000 0.585 63 T N -3.402 111.044 114.554 -0.179 0.000 2.990 63 T HA 0.211 4.565 4.350 0.007 0.000 0.250 63 T C 0.895 175.418 174.700 -0.295 0.000 1.041 63 T CA 0.918 62.877 62.100 -0.234 0.000 1.010 63 T CB -0.125 68.642 68.868 -0.167 0.000 1.003 63 T HN 0.673 nan 8.240 nan 0.000 0.499 64 T N -0.479 113.908 114.554 -0.278 0.000 2.916 64 T HA 0.691 5.046 4.350 0.007 0.000 0.292 64 T C -0.859 173.658 174.700 -0.306 0.000 1.064 64 T CA -0.923 60.999 62.100 -0.295 0.000 1.011 64 T CB 1.097 69.863 68.868 -0.169 0.000 1.152 64 T HN 0.008 nan 8.240 nan 0.000 0.510 65 F N 1.966 121.836 119.950 -0.132 0.000 2.459 65 F HA 0.377 4.908 4.527 0.007 0.000 0.346 65 F C 1.426 177.116 175.800 -0.184 0.000 1.128 65 F CA -0.253 57.669 58.000 -0.130 0.000 1.268 65 F CB 0.600 39.554 39.000 -0.077 0.000 1.161 65 F HN 0.507 nan 8.300 nan 0.000 0.583 66 Q N 1.096 120.901 119.800 0.009 0.000 2.189 66 Q HA 0.200 4.544 4.340 0.007 0.000 0.193 66 Q C -0.237 175.677 176.000 -0.143 0.000 1.034 66 Q CA -0.692 54.951 55.803 -0.268 0.000 1.062 66 Q CB 0.509 28.790 28.738 -0.761 0.000 1.118 66 Q HN 0.501 nan 8.270 nan 0.000 0.569 67 N N -0.241 118.340 118.700 -0.199 0.000 2.395 67 N HA 0.014 4.758 4.740 0.007 0.000 0.246 67 N C -0.617 174.871 175.510 -0.038 0.000 1.246 67 N CA 0.142 53.136 53.050 -0.092 0.000 0.879 67 N CB 0.382 38.834 38.487 -0.057 0.000 1.098 67 N HN 0.163 nan 8.380 nan 0.000 0.444 68 V N 1.816 121.677 119.914 -0.088 0.000 2.607 68 V HA 0.120 4.244 4.120 0.007 0.000 0.289 68 V C 0.667 176.692 176.094 -0.115 0.000 1.053 68 V CA -0.878 61.354 62.300 -0.114 0.000 0.996 68 V CB 1.035 32.747 31.823 -0.184 0.000 0.995 68 V HN 0.694 nan 8.190 nan 0.000 0.476 69 c N 3.913 122.462 118.600 -0.084 0.000 2.657 69 c HA 0.116 4.691 4.570 0.007 0.000 0.420 69 c C 0.491 174.503 174.090 -0.130 0.000 1.323 69 c CA -0.560 55.724 56.329 -0.075 0.000 1.894 69 c CB -0.976 41.527 42.510 -0.012 0.000 2.681 69 c HN 0.751 nan 8.230 nan 0.000 0.613 70 Y N 3.506 123.614 120.300 -0.320 0.000 2.620 70 Y HA 0.260 4.815 4.550 0.007 0.000 0.330 70 Y C 0.812 176.686 175.900 -0.043 0.000 1.186 70 Y CA 1.034 58.921 58.100 -0.356 0.000 1.467 70 Y CB 0.171 38.116 38.460 -0.859 0.000 1.262 70 Y HN 0.738 nan 8.280 nan 0.000 0.550 71 Q N 3.909 123.703 119.800 -0.009 0.000 2.522 71 Q HA 0.217 4.561 4.340 0.007 0.000 0.285 71 Q C -1.844 174.299 176.000 0.239 0.000 0.982 71 Q CA -1.223 54.721 55.803 0.235 0.000 0.805 71 Q CB 1.258 30.067 28.738 0.119 0.000 1.457 71 Q HN 0.672 nan 8.270 nan 0.000 0.394 72 Y N 1.376 121.831 120.300 0.259 0.000 2.632 72 Y HA 0.238 4.792 4.550 0.007 0.000 0.329 72 Y C -0.704 175.290 175.900 0.156 0.000 1.174 72 Y CA 0.182 58.408 58.100 0.211 0.000 1.469 72 Y CB 0.758 39.334 38.460 0.194 0.000 1.242 72 Y HN 0.457 nan 8.280 nan 0.000 0.540 73 V N 7.315 127.032 119.914 -0.328 0.000 2.385 73 V HA 0.047 4.171 4.120 0.007 0.000 0.269 73 V C -0.067 175.789 176.094 -0.396 0.000 1.043 73 V CA -0.927 61.222 62.300 -0.251 0.000 0.906 73 V CB 0.835 32.542 31.823 -0.193 0.000 0.995 73 V HN 0.732 nan 8.190 nan 0.000 0.467 74 D N 3.967 124.348 120.400 -0.031 0.000 2.458 74 D HA 0.130 4.775 4.640 0.007 0.000 0.243 74 D C 0.796 177.174 176.300 0.131 0.000 1.146 74 D CA 0.522 54.625 54.000 0.171 0.000 0.877 74 D CB 1.549 42.600 40.800 0.419 0.000 1.176 74 D HN 0.774 nan 8.370 nan 0.000 0.461 75 T N -0.313 114.331 114.554 0.150 0.000 3.337 75 T HA 0.077 4.431 4.350 0.007 0.000 0.299 75 T C 1.392 176.146 174.700 0.091 0.000 0.998 75 T CA -0.430 61.730 62.100 0.099 0.000 0.948 75 T CB 0.007 68.891 68.868 0.027 0.000 1.170 75 T HN 0.109 nan 8.240 nan 0.000 0.508 76 L N 0.612 121.890 121.223 0.092 0.000 2.056 76 L HA 0.232 4.576 4.340 0.007 0.000 0.207 76 L C -0.178 176.431 176.870 -0.434 0.000 1.078 76 L CA 1.481 56.184 54.840 -0.228 0.000 0.749 76 L CB -0.120 41.640 42.059 -0.499 0.000 0.901 76 L HN 0.403 nan 8.230 nan 0.000 0.433 77 Y N -0.233 120.127 120.300 0.101 0.000 2.863 77 Y HA 0.416 4.970 4.550 0.007 0.000 0.348 77 Y C -2.227 173.745 175.900 0.121 0.000 1.028 77 Y CA -3.735 54.402 58.100 0.062 0.000 1.213 77 Y CB -0.352 38.110 38.460 0.003 0.000 1.120 77 Y HN 0.041 nan 8.280 nan 0.000 0.598 78 P HA 0.209 nan 4.420 nan 0.000 0.271 78 P C 1.064 178.435 177.300 0.119 0.000 1.220 78 P CA 1.040 64.215 63.100 0.124 0.000 0.768 78 P CB 1.203 32.944 31.700 0.069 0.000 0.848 79 G N 2.629 111.484 108.800 0.092 0.000 2.284 79 G HA2 -0.283 3.681 3.960 0.007 0.000 0.230 79 G HA3 -0.283 3.681 3.960 0.007 0.000 0.230 79 G C 0.019 174.968 174.900 0.082 0.000 1.021 79 G CA -0.401 44.735 45.100 0.061 0.000 0.619 79 G HN 0.536 nan 8.290 nan 0.000 0.510 80 F N 3.035 122.953 119.950 -0.054 0.000 2.541 80 F HA 0.509 5.040 4.527 0.007 0.000 0.378 80 F C 1.477 177.180 175.800 -0.162 0.000 1.068 80 F CA -0.150 57.764 58.000 -0.143 0.000 1.199 80 F CB 1.285 40.180 39.000 -0.176 0.000 1.091 80 F HN 0.306 nan 8.300 nan 0.000 0.555 81 E N 3.713 123.504 120.200 -0.682 0.000 2.265 81 E HA -0.063 4.292 4.350 0.007 0.000 0.196 81 E C 2.036 178.116 176.600 -0.868 0.000 0.996 81 E CA 1.578 57.593 56.400 -0.642 0.000 0.832 81 E CB -0.363 29.044 29.700 -0.488 0.000 0.756 81 E HN 0.844 nan 8.360 nan 0.000 0.491 82 G N -0.678 107.024 108.800 -1.830 0.000 2.511 82 G HA2 -0.184 3.780 3.960 0.007 0.000 0.217 82 G HA3 -0.184 3.780 3.960 0.007 0.000 0.217 82 G C 1.622 176.451 174.900 -0.119 0.000 1.133 82 G CA 1.138 45.453 45.100 -1.308 0.000 0.792 82 G HN 0.456 nan 8.290 nan 0.000 0.539 83 T N -2.607 111.890 114.554 -0.096 0.000 3.034 83 T HA 0.139 4.493 4.350 0.007 0.000 0.248 83 T C 1.868 176.707 174.700 0.232 0.000 1.040 83 T CA 0.563 62.938 62.100 0.460 0.000 1.107 83 T CB 0.175 69.415 68.868 0.619 0.000 0.932 83 T HN 0.010 nan 8.240 nan 0.000 0.474 84 E N 2.591 122.779 120.200 -0.020 0.000 2.085 84 E HA -0.122 4.232 4.350 0.007 0.000 0.194 84 E C 2.252 178.753 176.600 -0.165 0.000 0.994 84 E CA 1.681 58.036 56.400 -0.076 0.000 0.801 84 E CB -0.621 28.998 29.700 -0.135 0.000 0.743 84 E HN 0.833 nan 8.360 nan 0.000 0.453 85 M N -2.396 117.008 119.600 -0.327 0.000 2.435 85 M HA -0.092 4.392 4.480 0.007 0.000 0.262 85 M C 1.388 177.271 176.300 -0.695 0.000 1.065 85 M CA 1.454 56.408 55.300 -0.577 0.000 1.076 85 M CB -0.546 31.588 32.600 -0.778 0.000 1.403 85 M HN 0.018 nan 8.290 nan 0.000 0.454 86 W N 0.712 121.921 121.300 -0.152 0.000 3.013 86 W HA 0.270 4.934 4.660 0.006 0.000 0.280 86 W C 0.538 176.945 176.519 -0.186 0.000 1.249 86 W CA -0.897 56.335 57.345 -0.188 0.000 1.577 86 W CB -0.038 29.363 29.460 -0.099 0.000 1.057 86 W HN 0.085 nan 8.180 nan 0.000 0.613 87 N N 1.795 120.517 118.700 0.036 0.000 2.479 87 N HA 0.084 4.828 4.740 0.007 0.000 0.257 87 N C -2.443 172.995 175.510 -0.121 0.000 1.232 87 N CA -1.092 51.941 53.050 -0.027 0.000 0.920 87 N CB -0.029 38.447 38.487 -0.017 0.000 1.105 87 N HN -0.330 nan 8.380 nan 0.000 0.444 88 P HA 0.027 nan 4.420 nan 0.000 0.264 88 P C 0.251 177.449 177.300 -0.170 0.000 1.183 88 P CA 0.084 63.075 63.100 -0.182 0.000 0.763 88 P CB 0.307 31.895 31.700 -0.187 0.000 0.807 89 N N 2.258 120.845 118.700 -0.189 0.000 2.204 89 N HA 0.087 4.831 4.740 0.007 0.000 0.219 89 N C 0.173 175.606 175.510 -0.128 0.000 1.151 89 N CA 0.004 52.957 53.050 -0.161 0.000 0.867 89 N CB 0.380 38.752 38.487 -0.191 0.000 1.043 89 N HN 0.145 nan 8.380 nan 0.000 0.516 90 R N 0.100 120.521 120.500 -0.133 0.000 2.869 90 R HA 0.292 4.636 4.340 0.007 0.000 0.263 90 R C -0.697 175.532 176.300 -0.119 0.000 1.066 90 R CA -0.726 55.313 56.100 -0.102 0.000 0.960 90 R CB 0.819 31.071 30.300 -0.079 0.000 1.221 90 R HN 0.277 nan 8.270 nan 0.000 0.474 91 E N 1.211 121.349 120.200 -0.103 0.000 2.452 91 E HA 0.009 4.363 4.350 0.007 0.000 0.261 91 E C -0.439 176.075 176.600 -0.143 0.000 0.987 91 E CA -0.029 56.306 56.400 -0.108 0.000 0.926 91 E CB 0.520 30.171 29.700 -0.081 0.000 0.934 91 E HN 0.256 nan 8.360 nan 0.000 0.452 92 L N 4.091 125.191 121.223 -0.205 0.000 2.361 92 L HA 0.193 4.537 4.340 0.007 0.000 0.278 92 L C 0.157 176.931 176.870 -0.161 0.000 1.113 92 L CA -0.010 54.620 54.840 -0.349 0.000 0.849 92 L CB 0.711 42.308 42.059 -0.770 0.000 1.155 92 L HN 0.458 nan 8.230 nan 0.000 0.452 93 S N 2.059 117.717 115.700 -0.069 0.000 2.537 93 S HA 0.229 4.703 4.470 0.007 0.000 0.270 93 S C 0.445 175.046 174.600 0.001 0.000 1.142 93 S CA -0.732 57.505 58.200 0.061 0.000 0.870 93 S CB 1.845 65.056 63.200 0.019 0.000 1.112 93 S HN 0.708 nan 8.310 nan 0.000 0.466 94 E N 1.098 121.266 120.200 -0.054 0.000 2.204 94 E HA -0.112 4.242 4.350 0.007 0.000 0.195 94 E C -0.244 176.298 176.600 -0.097 0.000 0.990 94 E CA 0.868 57.161 56.400 -0.179 0.000 0.821 94 E CB -0.017 29.540 29.700 -0.238 0.000 0.750 94 E HN 0.670 nan 8.360 nan 0.000 0.477 95 D N 0.152 120.531 120.400 -0.035 0.000 2.402 95 D HA -0.006 4.639 4.640 0.007 0.000 0.235 95 D C 0.077 176.472 176.300 0.158 0.000 1.226 95 D CA -0.251 53.760 54.000 0.018 0.000 0.918 95 D CB 0.029 40.864 40.800 0.059 0.000 1.043 95 D HN 0.116 nan 8.370 nan 0.000 0.506 96 c N 2.736 121.391 118.600 0.090 0.000 3.981 96 c HA 0.316 4.890 4.570 0.007 0.000 0.306 96 c C 0.423 174.586 174.090 0.121 0.000 2.005 96 c CA -0.697 55.766 56.329 0.222 0.000 1.655 96 c CB -1.242 41.311 42.510 0.072 0.000 3.164 96 c HN 0.485 nan 8.230 nan 0.000 0.554 97 L N 2.575 123.594 121.223 -0.339 0.000 2.384 97 L HA 0.403 4.747 4.340 0.007 0.000 0.258 97 L C -0.946 175.273 176.870 -1.086 0.000 1.266 97 L CA 0.582 54.992 54.840 -0.716 0.000 1.162 97 L CB -0.591 40.913 42.059 -0.924 0.000 1.375 97 L HN 0.415 nan 8.230 nan 0.000 0.420 98 Y N 1.676 121.945 120.300 -0.051 0.000 2.545 98 Y HA 0.630 5.184 4.550 0.007 0.000 0.348 98 Y C -0.116 175.983 175.900 0.332 0.000 1.002 98 Y CA -1.176 56.981 58.100 0.095 0.000 1.039 98 Y CB 2.088 40.551 38.460 0.005 0.000 1.271 98 Y HN 0.193 nan 8.280 nan 0.000 0.467 99 L N -0.082 121.331 121.223 0.316 0.000 2.359 99 L HA 0.789 5.133 4.340 0.007 0.000 0.256 99 L C -1.496 175.352 176.870 -0.037 0.000 1.026 99 L CA -1.048 53.833 54.840 0.068 0.000 0.828 99 L CB 2.101 43.985 42.059 -0.292 0.000 1.406 99 L HN 0.486 nan 8.230 nan 0.000 0.413 100 N N 0.435 119.116 118.700 -0.031 0.000 2.258 100 N HA 0.668 5.412 4.740 0.007 0.000 0.299 100 N C -1.570 173.840 175.510 -0.166 0.000 1.047 100 N CA -0.410 52.556 53.050 -0.141 0.000 0.814 100 N CB 2.921 41.358 38.487 -0.083 0.000 1.413 100 N HN 0.502 nan 8.380 nan 0.000 0.478 101 V N 2.147 121.895 119.914 -0.277 0.000 2.443 101 V HA 0.415 4.539 4.120 0.007 0.000 0.293 101 V C -0.702 175.329 176.094 -0.105 0.000 1.021 101 V CA -0.745 61.468 62.300 -0.144 0.000 0.848 101 V CB 1.736 33.295 31.823 -0.439 0.000 0.998 101 V HN 0.542 nan 8.190 nan 0.000 0.424 102 W N 3.288 124.671 121.300 0.137 0.000 2.520 102 W HA 0.690 5.355 4.660 0.008 0.000 0.323 102 W C 0.225 176.843 176.519 0.165 0.000 1.062 102 W CA -0.422 57.007 57.345 0.139 0.000 1.215 102 W CB 2.367 31.886 29.460 0.098 0.000 1.340 102 W HN 0.609 nan 8.180 nan 0.000 0.516 103 T N -0.019 114.782 114.554 0.412 0.000 2.883 103 T HA 0.448 4.803 4.350 0.007 0.000 0.301 103 T C -2.812 172.063 174.700 0.293 0.000 1.158 103 T CA -2.335 59.965 62.100 0.332 0.000 1.007 103 T CB 2.114 71.202 68.868 0.367 0.000 1.186 103 T HN -0.095 nan 8.240 nan 0.000 0.499 104 P HA 0.125 nan 4.420 nan 0.000 0.270 104 P C -1.460 175.993 177.300 0.256 0.000 1.216 104 P CA -0.012 63.210 63.100 0.203 0.000 0.788 104 P CB 0.087 31.874 31.700 0.146 0.000 0.883 105 Y N 1.890 122.246 120.300 0.094 0.000 2.346 105 Y HA 0.420 4.974 4.550 0.007 0.000 0.332 105 Y C -2.278 173.659 175.900 0.061 0.000 0.985 105 Y CA -2.503 55.645 58.100 0.081 0.000 1.112 105 Y CB 1.229 39.724 38.460 0.057 0.000 1.170 105 Y HN 0.316 nan 8.280 nan 0.000 0.447 106 P HA 0.161 nan 4.420 nan 0.000 0.271 106 P C -0.790 176.468 177.300 -0.070 0.000 1.244 106 P CA -0.231 62.644 63.100 -0.376 0.000 0.793 106 P CB 0.978 32.515 31.700 -0.271 0.000 0.984 107 R N 1.044 121.531 120.500 -0.022 0.000 2.698 107 R HA 0.108 4.452 4.340 0.007 0.000 0.266 107 R C -1.650 174.685 176.300 0.058 0.000 1.026 107 R CA -0.937 55.217 56.100 0.089 0.000 1.102 107 R CB -0.793 29.579 30.300 0.119 0.000 0.978 107 R HN 0.476 nan 8.270 nan 0.000 0.436 108 P HA -0.058 nan 4.420 nan 0.000 0.265 108 P C -0.142 177.179 177.300 0.035 0.000 1.193 108 P CA 0.229 63.365 63.100 0.060 0.000 0.765 108 P CB 0.898 32.643 31.700 0.075 0.000 0.823 109 A N 3.928 126.761 122.820 0.021 0.000 1.851 109 A HA -0.086 4.238 4.320 0.007 0.000 0.216 109 A C 1.166 178.755 177.584 0.008 0.000 1.195 109 A CA 1.742 53.784 52.037 0.008 0.000 0.622 109 A CB -1.268 17.735 19.000 0.005 0.000 0.831 109 A HN 0.720 nan 8.150 nan 0.000 0.444 110 S N 0.325 116.032 115.700 0.012 0.000 2.585 110 S HA 0.536 5.011 4.470 0.007 0.000 0.277 110 S C -2.814 171.796 174.600 0.017 0.000 1.241 110 S CA -1.758 56.447 58.200 0.009 0.000 1.041 110 S CB 0.906 64.109 63.200 0.005 0.000 0.987 110 S HN 0.271 nan 8.310 nan 0.000 0.512 111 P HA 0.091 nan 4.420 nan 0.000 0.261 111 P C -0.602 176.713 177.300 0.025 0.000 1.183 111 P CA 0.250 63.363 63.100 0.022 0.000 0.761 111 P CB -0.017 31.688 31.700 0.008 0.000 0.785 112 T N 5.584 120.166 114.554 0.047 0.000 2.823 112 T HA 0.423 4.777 4.350 0.007 0.000 0.279 112 T C -2.458 172.275 174.700 0.055 0.000 0.998 112 T CA -1.825 60.305 62.100 0.050 0.000 0.994 112 T CB 1.046 69.958 68.868 0.073 0.000 0.960 112 T HN 0.208 nan 8.240 nan 0.000 0.448 113 P HA 0.158 nan 4.420 nan 0.000 0.266 113 P C -0.746 176.598 177.300 0.074 0.000 1.195 113 P CA -0.311 62.809 63.100 0.035 0.000 0.768 113 P CB 0.389 32.087 31.700 -0.002 0.000 0.838 114 V N 4.837 124.816 119.914 0.108 0.000 2.481 114 V HA 0.256 4.380 4.120 0.007 0.000 0.286 114 V C 0.427 176.614 176.094 0.154 0.000 1.042 114 V CA -0.461 61.927 62.300 0.147 0.000 0.928 114 V CB 0.931 32.859 31.823 0.176 0.000 0.986 114 V HN 0.354 nan 8.190 nan 0.000 0.462 115 L N 5.930 127.253 121.223 0.167 0.000 2.296 115 L HA 0.573 4.917 4.340 0.007 0.000 0.286 115 L C -0.618 176.507 176.870 0.426 0.000 1.023 115 L CA -0.374 54.589 54.840 0.206 0.000 0.812 115 L CB 1.612 43.648 42.059 -0.037 0.000 1.223 115 L HN 0.509 nan 8.230 nan 0.000 0.421 116 I N 3.262 124.120 120.570 0.480 0.000 2.328 116 I HA 0.192 4.367 4.170 0.007 0.000 0.287 116 I C -0.325 176.076 176.117 0.473 0.000 1.012 116 I CA -0.270 61.276 61.300 0.410 0.000 1.195 116 I CB 1.213 39.319 38.000 0.176 0.000 1.350 116 I HN 0.603 nan 8.210 nan 0.000 0.464 117 W N 8.559 129.977 121.300 0.196 0.000 2.287 117 W HA 0.499 5.162 4.660 0.006 0.000 0.313 117 W C -1.358 175.018 176.519 -0.238 0.000 1.267 117 W CA -0.516 56.644 57.345 -0.309 0.000 1.201 117 W CB 0.900 30.250 29.460 -0.183 0.000 1.196 117 W HN 0.337 nan 8.180 nan 0.000 0.536 118 I N 9.094 128.902 120.570 -1.270 0.000 2.382 118 I HA 0.080 4.255 4.170 0.007 0.000 0.285 118 I C -0.317 174.859 176.117 -1.568 0.000 1.007 118 I CA -1.153 59.489 61.300 -1.097 0.000 1.142 118 I CB 0.819 38.398 38.000 -0.702 0.000 1.289 118 I HN 0.289 nan 8.210 nan 0.000 0.453 119 Y N 4.481 124.221 120.300 -0.934 0.000 2.379 119 Y HA 0.673 5.227 4.550 0.007 0.000 0.337 119 Y C 0.813 176.481 175.900 -0.387 0.000 1.238 119 Y CA -0.918 56.776 58.100 -0.675 0.000 1.405 119 Y CB -0.114 38.198 38.460 -0.247 0.000 1.310 119 Y HN 0.553 nan 8.280 nan 0.000 0.569 120 G N -0.450 108.305 108.800 -0.075 0.000 2.510 120 G HA2 0.461 4.426 3.960 0.007 0.000 0.280 120 G HA3 0.461 4.426 3.960 0.007 0.000 0.280 120 G C 0.414 175.184 174.900 -0.217 0.000 1.386 120 G CA -0.805 44.158 45.100 -0.229 0.000 1.047 120 G HN 1.753 nan 8.290 nan 0.000 0.527 121 G N -3.138 105.334 108.800 -0.547 0.000 2.215 121 G HA2 0.402 4.366 3.960 0.007 0.000 0.187 121 G HA3 0.402 4.366 3.960 0.007 0.000 0.187 121 G C 1.100 175.301 174.900 -1.164 0.000 1.039 121 G CA 0.749 45.401 45.100 -0.748 0.000 0.771 121 G HN 2.335 nan 8.290 nan 0.000 0.507 122 G N -0.620 107.450 108.800 -1.218 0.000 2.175 122 G HA2 -0.167 3.797 3.960 0.007 0.000 0.265 122 G HA3 -0.167 3.797 3.960 0.007 0.000 0.265 122 G C 0.956 175.404 174.900 -0.753 0.000 0.979 122 G CA 0.963 44.992 45.100 -1.785 0.000 0.663 122 G HN 1.735 nan 8.290 nan 0.000 0.533 123 F N -3.467 116.230 119.950 -0.421 0.000 2.748 123 F HA -0.302 4.229 4.527 0.007 0.000 0.370 123 F C 1.448 177.314 175.800 0.109 0.000 0.620 123 F CA 2.161 60.079 58.000 -0.135 0.000 1.233 123 F CB -2.009 36.747 39.000 -0.405 0.000 1.708 123 F HN 0.891 nan 8.300 nan 0.000 0.298 124 Y N -0.651 119.710 120.300 0.102 0.000 2.481 124 Y HA 0.673 5.227 4.550 0.007 0.000 0.247 124 Y C 0.623 176.590 175.900 0.111 0.000 1.151 124 Y CA 0.240 58.442 58.100 0.171 0.000 1.238 124 Y CB -0.007 38.505 38.460 0.088 0.000 1.179 124 Y HN 0.103 nan 8.280 nan 0.000 0.524 125 S N -0.982 114.441 115.700 -0.462 0.000 2.672 125 S HA 0.858 5.333 4.470 0.007 0.000 0.271 125 S C -0.186 174.189 174.600 -0.375 0.000 1.171 125 S CA -0.501 57.474 58.200 -0.374 0.000 0.817 125 S CB 1.409 64.303 63.200 -0.509 0.000 1.150 125 S HN 1.377 nan 8.310 nan 0.000 0.478 126 G N -0.661 107.885 108.800 -0.424 0.000 2.515 126 G HA2 0.538 4.502 3.960 0.007 0.000 0.686 126 G HA3 0.538 4.502 3.960 0.007 0.000 0.686 126 G C -0.604 173.527 174.900 -1.283 0.000 1.274 126 G CA -0.297 44.378 45.100 -0.708 0.000 0.874 126 G HN 2.289 nan 8.290 nan 0.000 0.631 127 A N -0.944 121.014 122.820 -1.437 0.000 2.582 127 A HA 0.979 5.303 4.320 0.007 0.000 0.297 127 A C 0.463 177.853 177.584 -0.323 0.000 1.059 127 A CA 0.635 52.153 52.037 -0.864 0.000 0.705 127 A CB 0.915 19.661 19.000 -0.424 0.000 1.279 127 A HN 2.605 nan 8.150 nan 0.000 0.404 128 A N 0.611 123.494 122.820 0.104 0.000 2.238 128 A HA 0.330 4.654 4.320 0.007 0.000 0.208 128 A C 1.516 179.142 177.584 0.070 0.000 1.177 128 A CA 1.540 53.813 52.037 0.393 0.000 0.804 128 A CB -0.550 18.744 19.000 0.490 0.000 0.823 128 A HN 1.747 nan 8.150 nan 0.000 0.482 129 S N -0.735 114.746 115.700 -0.365 0.000 2.524 129 S HA 0.320 4.794 4.470 0.007 0.000 0.215 129 S C 0.481 174.598 174.600 -0.804 0.000 0.986 129 S CA -0.447 56.999 58.200 -1.257 0.000 0.911 129 S CB -0.471 61.918 63.200 -1.351 0.000 0.805 129 S HN 0.365 nan 8.310 nan 0.000 0.501 130 L N 2.775 123.720 121.223 -0.463 0.000 2.559 130 L HA 0.029 4.373 4.340 0.007 0.000 0.282 130 L C 1.195 177.728 176.870 -0.561 0.000 1.232 130 L CA -0.145 54.371 54.840 -0.540 0.000 0.885 130 L CB 0.158 41.759 42.059 -0.763 0.000 1.131 130 L HN 0.126 nan 8.230 nan 0.000 0.498 131 D N 1.577 121.693 120.400 -0.473 0.000 2.158 131 D HA -0.157 4.487 4.640 0.007 0.000 0.197 131 D C 1.924 177.946 176.300 -0.462 0.000 0.995 131 D CA 1.420 55.203 54.000 -0.361 0.000 0.846 131 D CB 0.051 40.680 40.800 -0.286 0.000 0.941 131 D HN 0.555 nan 8.370 nan 0.000 0.456 132 V N -1.649 117.822 119.914 -0.739 0.000 3.305 132 V HA -0.130 3.994 4.120 0.007 0.000 0.269 132 V C 1.127 176.597 176.094 -1.041 0.000 1.157 132 V CA 1.004 62.816 62.300 -0.814 0.000 1.157 132 V CB -1.055 30.196 31.823 -0.953 0.000 0.772 132 V HN 0.075 nan 8.190 nan 0.000 0.498 133 Y N 0.082 119.822 120.300 -0.932 0.000 2.467 133 Y HA 0.399 4.953 4.550 0.007 0.000 0.250 133 Y C 1.002 176.366 175.900 -0.893 0.000 1.155 133 Y CA -1.626 55.617 58.100 -1.427 0.000 1.249 133 Y CB -0.494 37.467 38.460 -0.832 0.000 1.146 133 Y HN 0.332 nan 8.280 nan 0.000 0.524 134 D N 0.976 121.112 120.400 -0.440 0.000 2.479 134 D HA 0.006 4.650 4.640 0.007 0.000 0.257 134 D C 1.398 177.270 176.300 -0.714 0.000 1.230 134 D CA 0.623 54.351 54.000 -0.455 0.000 0.912 134 D CB 0.943 41.609 40.800 -0.224 0.000 1.130 134 D HN 0.409 nan 8.370 nan 0.000 0.515 135 G N 3.961 111.705 108.800 -1.760 0.000 3.088 135 G HA2 -0.138 3.826 3.960 0.007 0.000 0.212 135 G HA3 -0.138 3.826 3.960 0.007 0.000 0.212 135 G C 1.449 175.691 174.900 -1.095 0.000 1.173 135 G CA 0.192 44.582 45.100 -1.184 0.000 0.779 135 G HN 0.650 nan 8.290 nan 0.000 0.540 136 R N -0.568 119.158 120.500 -1.290 0.000 2.105 136 R HA -0.083 4.262 4.340 0.007 0.000 0.239 136 R C 1.605 177.611 176.300 -0.489 0.000 1.135 136 R CA 1.472 57.152 56.100 -0.701 0.000 0.967 136 R CB -0.677 29.262 30.300 -0.602 0.000 0.861 136 R HN 0.328 nan 8.270 nan 0.000 0.442 137 F N 1.274 121.116 119.950 -0.181 0.000 2.187 137 F HA 0.092 4.624 4.527 0.007 0.000 0.295 137 F C 2.235 177.964 175.800 -0.118 0.000 1.091 137 F CA 0.558 58.482 58.000 -0.127 0.000 1.308 137 F CB -0.589 38.325 39.000 -0.143 0.000 1.030 137 F HN -0.134 nan 8.300 nan 0.000 0.487 138 L N -0.164 121.066 121.223 0.012 0.000 2.141 138 L HA -0.143 4.201 4.340 0.007 0.000 0.209 138 L C 2.649 179.516 176.870 -0.006 0.000 1.094 138 L CA 0.972 55.783 54.840 -0.048 0.000 0.763 138 L CB -0.854 41.111 42.059 -0.157 0.000 0.908 138 L HN 0.186 nan 8.230 nan 0.000 0.437 139 A N -0.809 122.014 122.820 0.004 0.000 1.841 139 A HA -0.230 4.095 4.320 0.007 0.000 0.214 139 A C 2.275 179.908 177.584 0.080 0.000 1.195 139 A CA 1.427 53.516 52.037 0.085 0.000 0.611 139 A CB -0.584 18.514 19.000 0.163 0.000 0.835 139 A HN 0.344 nan 8.150 nan 0.000 0.443 140 Q N -0.140 119.695 119.800 0.058 0.000 2.020 140 Q HA -0.114 4.230 4.340 0.007 0.000 0.202 140 Q C 2.204 178.242 176.000 0.064 0.000 0.982 140 Q CA 2.226 58.071 55.803 0.069 0.000 0.838 140 Q CB -0.345 28.428 28.738 0.059 0.000 0.899 140 Q HN 0.395 nan 8.270 nan 0.000 0.423 141 V N 0.934 120.883 119.914 0.058 0.000 2.446 141 V HA -0.088 4.036 4.120 0.007 0.000 0.244 141 V C 1.692 177.800 176.094 0.024 0.000 1.039 141 V CA 1.364 63.689 62.300 0.041 0.000 1.045 141 V CB -0.096 31.747 31.823 0.033 0.000 0.681 141 V HN 0.221 nan 8.190 nan 0.000 0.459 142 E N -0.104 120.108 120.200 0.019 0.000 2.474 142 E HA 0.195 4.549 4.350 0.007 0.000 0.195 142 E C 1.678 178.293 176.600 0.026 0.000 1.039 142 E CA 0.652 57.059 56.400 0.011 0.000 0.881 142 E CB 0.361 30.057 29.700 -0.007 0.000 0.970 142 E HN 0.569 nan 8.360 nan 0.000 0.486 143 G N 1.692 110.519 108.800 0.045 0.000 2.203 143 G HA2 -0.327 3.637 3.960 0.007 0.000 0.263 143 G HA3 -0.327 3.637 3.960 0.007 0.000 0.263 143 G C 0.495 175.438 174.900 0.071 0.000 1.012 143 G CA 0.523 45.661 45.100 0.063 0.000 0.749 143 G HN 0.466 nan 8.290 nan 0.000 0.512 144 A N -0.803 122.056 122.820 0.065 0.000 2.316 144 A HA 0.736 5.060 4.320 0.007 0.000 0.284 144 A C 0.473 178.131 177.584 0.124 0.000 1.115 144 A CA -0.103 51.976 52.037 0.069 0.000 0.812 144 A CB 1.334 20.350 19.000 0.028 0.000 1.064 144 A HN 1.049 nan 8.150 nan 0.000 0.489 145 V N 2.852 122.852 119.914 0.142 0.000 2.432 145 V HA 0.320 4.445 4.120 0.007 0.000 0.271 145 V C -0.054 176.173 176.094 0.221 0.000 1.046 145 V CA 0.000 62.418 62.300 0.197 0.000 0.945 145 V CB 0.767 32.703 31.823 0.188 0.000 0.992 145 V HN 0.714 nan 8.190 nan 0.000 0.471 146 L N 6.174 127.584 121.223 0.311 0.000 2.333 146 L HA 0.705 5.049 4.340 0.007 0.000 0.280 146 L C -0.865 176.299 176.870 0.490 0.000 1.004 146 L CA -0.322 54.755 54.840 0.394 0.000 0.820 146 L CB 1.897 44.184 42.059 0.380 0.000 1.247 146 L HN 0.435 nan 8.230 nan 0.000 0.416 147 V N 3.174 123.348 119.914 0.433 0.000 2.487 147 V HA 0.618 4.742 4.120 0.007 0.000 0.298 147 V C -0.377 175.960 176.094 0.405 0.000 1.028 147 V CA -0.478 62.027 62.300 0.341 0.000 0.860 147 V CB 1.859 33.813 31.823 0.218 0.000 0.991 147 V HN 0.833 nan 8.190 nan 0.000 0.427 148 S N 5.651 121.594 115.700 0.405 0.000 2.521 148 S HA 0.862 5.336 4.470 0.007 0.000 0.295 148 S C -0.707 174.028 174.600 0.225 0.000 1.098 148 S CA -0.830 57.612 58.200 0.404 0.000 0.999 148 S CB 2.103 65.686 63.200 0.639 0.000 1.034 148 S HN 0.795 nan 8.310 nan 0.000 0.483 149 M N 1.579 121.255 119.600 0.128 0.000 2.383 149 M HA 0.602 5.086 4.480 0.007 0.000 0.325 149 M C -1.390 175.084 176.300 0.289 0.000 1.092 149 M CA -0.592 54.758 55.300 0.084 0.000 0.961 149 M CB 0.933 33.367 32.600 -0.276 0.000 1.672 149 M HN 0.500 nan 8.290 nan 0.000 0.438 150 N N 3.387 122.345 118.700 0.430 0.000 2.508 150 N HA 0.441 5.185 4.740 0.007 0.000 0.264 150 N C -1.167 174.613 175.510 0.451 0.000 1.216 150 N CA 0.279 53.610 53.050 0.467 0.000 0.943 150 N CB 0.281 38.976 38.487 0.348 0.000 1.113 150 N HN 0.754 nan 8.380 nan 0.000 0.447 151 Y N -2.206 118.266 120.300 0.285 0.000 2.581 151 Y HA 0.541 5.095 4.550 0.007 0.000 0.345 151 Y C -0.176 175.861 175.900 0.228 0.000 1.036 151 Y CA -1.386 56.841 58.100 0.211 0.000 1.042 151 Y CB 0.885 39.395 38.460 0.084 0.000 1.289 151 Y HN 0.193 nan 8.280 nan 0.000 0.471 152 R N 2.056 122.703 120.500 0.244 0.000 2.421 152 R HA 0.422 4.766 4.340 0.007 0.000 0.305 152 R C -0.184 176.282 176.300 0.276 0.000 1.039 152 R CA -0.200 55.999 56.100 0.164 0.000 1.003 152 R CB 0.525 30.888 30.300 0.106 0.000 0.959 152 R HN 0.683 nan 8.270 nan 0.000 0.427 153 V N 0.767 120.872 119.914 0.319 0.000 3.211 153 V HA 0.852 4.976 4.120 0.007 0.000 0.319 153 V C 0.965 177.438 176.094 0.632 0.000 1.096 153 V CA -0.099 62.534 62.300 0.555 0.000 1.029 153 V CB 1.081 33.087 31.823 0.305 0.000 1.137 153 V HN 0.964 nan 8.190 nan 0.000 0.453 154 G N 1.620 110.845 108.800 0.708 0.000 2.575 154 G HA2 -0.283 3.682 3.960 0.007 0.000 0.267 154 G HA3 -0.283 3.682 3.960 0.007 0.000 0.267 154 G C 0.953 176.070 174.900 0.361 0.000 1.264 154 G CA 1.349 46.797 45.100 0.581 0.000 0.935 154 G HN 2.286 nan 8.290 nan 0.000 0.568 155 T N -1.886 112.590 114.554 -0.130 0.000 2.665 155 T HA -0.156 4.198 4.350 0.007 0.000 0.268 155 T C 2.147 176.735 174.700 -0.186 0.000 1.035 155 T CA 2.748 64.501 62.100 -0.578 0.000 1.151 155 T CB -0.497 67.885 68.868 -0.810 0.000 0.862 155 T HN 0.722 nan 8.240 nan 0.000 0.438 156 F N 2.167 122.198 119.950 0.135 0.000 2.307 156 F HA 0.210 4.741 4.527 0.007 0.000 0.301 156 F C 2.587 178.392 175.800 0.009 0.000 1.076 156 F CA 0.781 58.793 58.000 0.021 0.000 1.383 156 F CB -0.728 38.257 39.000 -0.025 0.000 1.055 156 F HN 0.441 nan 8.300 nan 0.000 0.526 157 G N -2.605 106.270 108.800 0.125 0.000 2.833 157 G HA2 0.126 4.090 3.960 0.007 0.000 0.214 157 G HA3 0.126 4.090 3.960 0.007 0.000 0.214 157 G C 0.785 175.225 174.900 -0.767 0.000 1.075 157 G CA 0.091 45.006 45.100 -0.309 0.000 0.799 157 G HN 0.329 nan 8.290 nan 0.000 0.541 158 F N -0.424 119.628 119.950 0.169 0.000 2.915 158 F HA 0.433 4.965 4.527 0.008 0.000 0.347 158 F C 0.453 176.336 175.800 0.139 0.000 1.104 158 F CA -0.877 57.201 58.000 0.131 0.000 1.126 158 F CB 0.425 39.517 39.000 0.154 0.000 1.145 158 F HN -0.089 nan 8.300 nan 0.000 0.541 159 L N 2.244 123.516 121.223 0.082 0.000 2.513 159 L HA 0.500 4.844 4.340 0.007 0.000 0.272 159 L C 0.002 176.840 176.870 -0.054 0.000 1.187 159 L CA 0.060 54.816 54.840 -0.141 0.000 0.895 159 L CB 0.355 42.049 42.059 -0.609 0.000 1.147 159 L HN 0.137 nan 8.230 nan 0.000 0.483 160 A N 5.953 128.794 122.820 0.035 0.000 2.393 160 A HA 0.698 5.022 4.320 0.007 0.000 0.306 160 A C -1.233 176.338 177.584 -0.023 0.000 1.050 160 A CA -0.607 51.431 52.037 0.000 0.000 0.724 160 A CB 1.350 20.384 19.000 0.057 0.000 1.248 160 A HN 0.643 nan 8.150 nan 0.000 0.424 161 L N 3.523 124.712 121.223 -0.057 0.000 2.335 161 L HA 0.353 4.698 4.340 0.007 0.000 0.268 161 L C -2.394 174.468 176.870 -0.013 0.000 1.037 161 L CA -1.381 53.437 54.840 -0.036 0.000 0.895 161 L CB 1.208 43.231 42.059 -0.060 0.000 1.266 161 L HN 0.393 nan 8.230 nan 0.000 0.439 162 P HA 0.094 nan 4.420 nan 0.000 0.265 162 P C 1.031 178.336 177.300 0.009 0.000 1.187 162 P CA 0.819 63.926 63.100 0.011 0.000 0.766 162 P CB 0.914 32.621 31.700 0.013 0.000 0.820 163 G N 1.564 110.373 108.800 0.015 0.000 2.320 163 G HA2 -0.280 3.684 3.960 0.007 0.000 0.242 163 G HA3 -0.280 3.684 3.960 0.007 0.000 0.242 163 G C 0.597 175.505 174.900 0.012 0.000 1.033 163 G CA 0.418 45.526 45.100 0.014 0.000 0.620 163 G HN 0.846 nan 8.290 nan 0.000 0.517 164 S N -0.099 115.606 115.700 0.007 0.000 2.596 164 S HA 0.529 5.003 4.470 0.007 0.000 0.260 164 S C 1.288 175.898 174.600 0.016 0.000 1.336 164 S CA 0.751 58.955 58.200 0.006 0.000 0.993 164 S CB 1.618 64.814 63.200 -0.006 0.000 0.923 164 S HN 0.565 nan 8.310 nan 0.000 0.567 165 R N -0.182 120.330 120.500 0.019 0.000 2.175 165 R HA 0.125 4.469 4.340 0.007 0.000 0.202 165 R C 1.085 177.408 176.300 0.039 0.000 1.018 165 R CA 0.719 56.836 56.100 0.029 0.000 1.029 165 R CB -0.142 30.174 30.300 0.027 0.000 0.959 165 R HN 0.791 nan 8.270 nan 0.000 0.480 166 E N -0.428 119.794 120.200 0.037 0.000 2.447 166 E HA 0.173 4.527 4.350 0.007 0.000 0.195 166 E C -0.332 176.316 176.600 0.081 0.000 1.028 166 E CA 0.410 56.847 56.400 0.061 0.000 0.876 166 E CB 1.382 31.115 29.700 0.056 0.000 0.885 166 E HN 0.242 nan 8.360 nan 0.000 0.500 167 A N 1.157 123.996 122.820 0.032 0.000 3.277 167 A HA 0.275 4.599 4.320 0.007 0.000 0.281 167 A C -2.306 175.277 177.584 -0.001 0.000 1.179 167 A CA -0.842 51.198 52.037 0.005 0.000 0.879 167 A CB 0.527 19.430 19.000 -0.161 0.000 1.374 167 A HN -0.085 nan 8.150 nan 0.000 0.590 168 P HA 0.186 nan 4.420 nan 0.000 0.245 168 P C 0.942 178.263 177.300 0.034 0.000 1.212 168 P CA 1.553 64.673 63.100 0.033 0.000 0.774 168 P CB 0.111 31.840 31.700 0.047 0.000 0.999 169 G N 1.350 110.168 108.800 0.030 0.000 2.846 169 G HA2 -0.239 3.725 3.960 0.007 0.000 0.660 169 G HA3 -0.239 3.725 3.960 0.007 0.000 0.660 169 G C 0.008 174.914 174.900 0.009 0.000 1.464 169 G CA -0.221 44.901 45.100 0.037 0.000 0.891 169 G HN 0.205 nan 8.290 nan 0.000 0.552 170 N N -2.597 116.103 118.700 -0.000 0.000 2.800 170 N HA -0.267 4.477 4.740 0.007 0.000 0.250 170 N C 1.682 177.047 175.510 -0.241 0.000 1.078 170 N CA 2.310 55.289 53.050 -0.119 0.000 0.804 170 N CB -1.684 36.668 38.487 -0.224 0.000 1.135 170 N HN 1.904 nan 8.380 nan 0.000 0.565 171 V N -2.990 116.781 119.914 -0.239 0.000 2.970 171 V HA 0.125 4.249 4.120 0.007 0.000 0.260 171 V C 2.248 178.208 176.094 -0.222 0.000 1.100 171 V CA 2.027 64.235 62.300 -0.153 0.000 1.122 171 V CB -0.588 31.197 31.823 -0.063 0.000 0.721 171 V HN 0.260 nan 8.190 nan 0.000 0.483 172 G N 0.734 109.175 108.800 -0.598 0.000 2.408 172 G HA2 -0.123 3.841 3.960 0.007 0.000 0.217 172 G HA3 -0.123 3.841 3.960 0.007 0.000 0.217 172 G C 1.512 176.338 174.900 -0.123 0.000 1.150 172 G CA 1.148 45.975 45.100 -0.455 0.000 0.776 172 G HN 0.525 nan 8.290 nan 0.000 0.542 173 L N -0.118 120.983 121.223 -0.204 0.000 2.093 173 L HA 0.053 4.397 4.340 0.007 0.000 0.208 173 L C 2.884 179.773 176.870 0.031 0.000 1.085 173 L CA 0.418 55.097 54.840 -0.267 0.000 0.755 173 L CB -0.391 41.061 42.059 -1.011 0.000 0.904 173 L HN 0.183 nan 8.230 nan 0.000 0.435 174 L N -0.390 120.857 121.223 0.040 0.000 2.017 174 L HA -0.220 4.124 4.340 0.007 0.000 0.208 174 L C 2.318 179.312 176.870 0.207 0.000 1.073 174 L CA 1.097 56.058 54.840 0.202 0.000 0.745 174 L CB -0.752 41.401 42.059 0.156 0.000 0.894 174 L HN 0.291 nan 8.230 nan 0.000 0.432 175 D N 0.035 120.548 120.400 0.189 0.000 2.133 175 D HA -0.251 4.394 4.640 0.007 0.000 0.192 175 D C 2.234 178.688 176.300 0.258 0.000 1.001 175 D CA 1.370 55.580 54.000 0.349 0.000 0.844 175 D CB -0.299 40.727 40.800 0.376 0.000 0.944 175 D HN 0.422 nan 8.370 nan 0.000 0.447 176 Q N 0.008 119.882 119.800 0.125 0.000 2.020 176 Q HA -0.130 4.214 4.340 0.007 0.000 0.202 176 Q C 2.352 178.324 176.000 -0.047 0.000 0.982 176 Q CA 1.123 56.914 55.803 -0.020 0.000 0.838 176 Q CB -0.109 28.630 28.738 0.001 0.000 0.899 176 Q HN 0.200 nan 8.270 nan 0.000 0.423 177 R N 0.522 121.115 120.500 0.155 0.000 2.113 177 R HA -0.233 4.111 4.340 0.007 0.000 0.244 177 R C 2.268 178.618 176.300 0.084 0.000 1.142 177 R CA 1.508 57.684 56.100 0.127 0.000 0.953 177 R CB -0.387 30.102 30.300 0.315 0.000 0.860 177 R HN 0.221 nan 8.270 nan 0.000 0.438 178 L N 0.553 121.866 121.223 0.150 0.000 2.012 178 L HA -0.125 4.219 4.340 0.007 0.000 0.210 178 L C 2.322 179.254 176.870 0.104 0.000 1.073 178 L CA 2.261 57.226 54.840 0.208 0.000 0.748 178 L CB -0.794 41.491 42.059 0.376 0.000 0.891 178 L HN 0.296 nan 8.230 nan 0.000 0.431 179 A N -0.461 122.186 122.820 -0.288 0.000 1.883 179 A HA -0.208 4.117 4.320 0.007 0.000 0.217 179 A C 2.252 179.791 177.584 -0.075 0.000 1.186 179 A CA 2.100 53.821 52.037 -0.528 0.000 0.624 179 A CB -0.952 17.491 19.000 -0.929 0.000 0.822 179 A HN 0.514 nan 8.150 nan 0.000 0.444 180 L N -1.191 119.980 121.223 -0.087 0.000 2.012 180 L HA -0.290 4.054 4.340 0.007 0.000 0.210 180 L C 2.905 179.823 176.870 0.079 0.000 1.073 180 L CA 2.032 56.861 54.840 -0.018 0.000 0.748 180 L CB -1.003 40.991 42.059 -0.108 0.000 0.891 180 L HN 0.521 nan 8.230 nan 0.000 0.431 181 Q N -0.892 118.966 119.800 0.096 0.000 2.045 181 Q HA -0.289 4.055 4.340 0.007 0.000 0.206 181 Q C 2.006 178.104 176.000 0.163 0.000 0.991 181 Q CA 2.401 58.276 55.803 0.119 0.000 0.851 181 Q CB -0.399 28.416 28.738 0.128 0.000 0.911 181 Q HN 0.496 nan 8.270 nan 0.000 0.418 182 W N 0.206 121.527 121.300 0.034 0.000 2.292 182 W HA -0.297 4.367 4.660 0.007 0.000 0.304 182 W C 1.838 178.393 176.519 0.060 0.000 1.228 182 W CA 1.649 59.032 57.345 0.064 0.000 1.241 182 W CB -0.157 29.342 29.460 0.065 0.000 1.142 182 W HN -0.062 nan 8.180 nan 0.000 0.520 183 V N 0.367 120.496 119.914 0.358 0.000 2.323 183 V HA -0.318 3.806 4.120 0.007 0.000 0.244 183 V C 2.532 178.660 176.094 0.056 0.000 1.041 183 V CA 1.967 64.415 62.300 0.248 0.000 1.025 183 V CB -1.059 30.918 31.823 0.255 0.000 0.656 183 V HN 0.132 nan 8.190 nan 0.000 0.451 184 Q N 0.171 120.007 119.800 0.060 0.000 2.047 184 Q HA -0.317 4.028 4.340 0.007 0.000 0.211 184 Q C 2.231 178.205 176.000 -0.043 0.000 1.005 184 Q CA 2.637 58.456 55.803 0.025 0.000 0.866 184 Q CB -0.576 28.180 28.738 0.030 0.000 0.938 184 Q HN 0.819 nan 8.270 nan 0.000 0.414 185 E N -0.186 119.954 120.200 -0.100 0.000 2.047 185 E HA -0.114 4.241 4.350 0.007 0.000 0.191 185 E C 1.414 177.859 176.600 -0.258 0.000 0.987 185 E CA 1.298 57.601 56.400 -0.163 0.000 0.799 185 E CB 0.132 29.724 29.700 -0.179 0.000 0.752 185 E HN 0.311 nan 8.360 nan 0.000 0.449 186 N N -0.265 118.160 118.700 -0.460 0.000 2.348 186 N HA -0.017 4.728 4.740 0.007 0.000 0.183 186 N C 1.526 176.886 175.510 -0.250 0.000 1.094 186 N CA 0.138 52.849 53.050 -0.564 0.000 0.885 186 N CB 0.206 37.900 38.487 -1.323 0.000 1.065 186 N HN 0.163 nan 8.380 nan 0.000 0.472 187 I N 2.378 122.877 120.570 -0.119 0.000 2.423 187 I HA -0.146 4.028 4.170 0.007 0.000 0.254 187 I C 2.105 178.347 176.117 0.208 0.000 1.151 187 I CA 0.491 61.895 61.300 0.173 0.000 1.421 187 I CB -0.374 37.719 38.000 0.155 0.000 1.079 187 I HN 0.041 nan 8.210 nan 0.000 0.431 188 A N 0.060 122.909 122.820 0.048 0.000 2.015 188 A HA -0.038 4.286 4.320 0.007 0.000 0.219 188 A C 2.463 180.021 177.584 -0.044 0.000 1.163 188 A CA 1.326 53.373 52.037 0.016 0.000 0.646 188 A CB -0.965 18.021 19.000 -0.024 0.000 0.806 188 A HN 0.447 nan 8.150 nan 0.000 0.448 189 A N -1.331 121.399 122.820 -0.150 0.000 2.076 189 A HA 0.035 4.359 4.320 0.007 0.000 0.220 189 A C 1.527 178.782 177.584 -0.548 0.000 1.160 189 A CA 1.291 53.087 52.037 -0.403 0.000 0.653 189 A CB -0.643 17.986 19.000 -0.620 0.000 0.801 189 A HN 0.526 nan 8.150 nan 0.000 0.455 190 F N -1.768 118.135 119.950 -0.079 0.000 2.678 190 F HA 0.395 4.926 4.527 0.007 0.000 0.305 190 F C 1.747 177.565 175.800 0.030 0.000 1.090 190 F CA 0.487 58.469 58.000 -0.029 0.000 1.272 190 F CB 0.352 39.355 39.000 0.005 0.000 1.060 190 F HN 0.308 nan 8.300 nan 0.000 0.576 191 G N 0.476 109.364 108.800 0.147 0.000 2.141 191 G HA2 -0.174 3.790 3.960 0.007 0.000 0.231 191 G HA3 -0.174 3.790 3.960 0.007 0.000 0.231 191 G C 0.613 175.589 174.900 0.127 0.000 0.984 191 G CA -0.294 44.870 45.100 0.107 0.000 0.660 191 G HN 0.707 nan 8.290 nan 0.000 0.525 192 G N -0.397 108.505 108.800 0.171 0.000 2.467 192 G HA2 0.461 4.425 3.960 0.007 0.000 0.257 192 G HA3 0.461 4.425 3.960 0.007 0.000 0.257 192 G C -0.591 174.367 174.900 0.098 0.000 1.227 192 G CA 0.387 45.575 45.100 0.147 0.000 0.835 192 G HN 0.266 nan 8.290 nan 0.000 0.556 193 D N 1.760 122.208 120.400 0.080 0.000 2.454 193 D HA 0.334 4.978 4.640 0.007 0.000 0.225 193 D C -1.624 174.720 176.300 0.073 0.000 1.081 193 D CA -2.394 51.635 54.000 0.049 0.000 0.864 193 D CB 1.903 42.713 40.800 0.016 0.000 1.040 193 D HN -0.017 nan 8.370 nan 0.000 0.517 194 P HA -0.010 nan 4.420 nan 0.000 0.228 194 P C 1.091 178.524 177.300 0.221 0.000 1.151 194 P CA 0.899 64.075 63.100 0.125 0.000 0.770 194 P CB 0.088 31.833 31.700 0.074 0.000 0.786 195 M N -2.564 117.093 119.600 0.094 0.000 2.371 195 M HA 0.133 4.617 4.480 0.007 0.000 0.246 195 M C 0.538 176.492 176.300 -0.575 0.000 1.103 195 M CA 0.522 55.777 55.300 -0.075 0.000 1.010 195 M CB 0.349 32.882 32.600 -0.112 0.000 1.457 195 M HN -0.222 nan 8.290 nan 0.000 0.486 196 S N 1.259 116.857 115.700 -0.170 0.000 2.216 196 S HA 0.423 4.897 4.470 0.007 0.000 0.156 196 S C -0.953 173.754 174.600 0.177 0.000 1.665 196 S CA -0.390 57.726 58.200 -0.141 0.000 1.262 196 S CB 0.531 63.663 63.200 -0.115 0.000 1.207 196 S HN 0.020 nan 8.310 nan 0.000 0.427 197 V N 3.816 124.063 119.914 0.554 0.000 2.409 197 V HA 0.529 4.653 4.120 0.007 0.000 0.291 197 V C 0.044 176.342 176.094 0.340 0.000 1.020 197 V CA -0.383 62.133 62.300 0.360 0.000 0.848 197 V CB 1.884 33.876 31.823 0.282 0.000 0.990 197 V HN 0.687 nan 8.190 nan 0.000 0.430 198 T N 6.598 121.305 114.554 0.256 0.000 2.794 198 T HA 0.614 4.968 4.350 0.007 0.000 0.280 198 T C -0.290 174.586 174.700 0.294 0.000 0.987 198 T CA -0.389 61.876 62.100 0.274 0.000 0.993 198 T CB 1.073 70.060 68.868 0.198 0.000 0.939 198 T HN 0.340 nan 8.240 nan 0.000 0.449 199 L N 4.838 126.214 121.223 0.256 0.000 2.276 199 L HA 0.645 4.989 4.340 0.007 0.000 0.286 199 L C -0.488 176.602 176.870 0.367 0.000 1.061 199 L CA -0.921 54.020 54.840 0.169 0.000 0.807 199 L CB 0.317 42.251 42.059 -0.208 0.000 1.177 199 L HN 0.615 nan 8.230 nan 0.000 0.429 200 F N 0.850 120.879 119.950 0.132 0.000 2.577 200 F HA 1.009 5.540 4.527 0.006 0.000 0.318 200 F C -0.064 175.713 175.800 -0.039 0.000 1.065 200 F CA -1.658 56.461 58.000 0.198 0.000 0.929 200 F CB 1.621 40.901 39.000 0.467 0.000 1.237 200 F HN 0.464 nan 8.300 nan 0.000 0.468 201 G N 0.585 109.210 108.800 -0.292 0.000 2.559 201 G HA2 0.494 4.459 3.960 0.007 0.000 0.291 201 G HA3 0.494 4.459 3.960 0.007 0.000 0.291 201 G C -2.442 172.234 174.900 -0.373 0.000 1.424 201 G CA -0.765 43.697 45.100 -1.064 0.000 0.786 201 G HN 0.888 nan 8.290 nan 0.000 0.485 202 E N -0.325 119.641 120.200 -0.391 0.000 2.416 202 E HA 0.633 4.987 4.350 0.007 0.000 0.273 202 E C 0.793 177.317 176.600 -0.127 0.000 0.935 202 E CA 0.282 56.660 56.400 -0.035 0.000 0.784 202 E CB 2.308 32.134 29.700 0.210 0.000 1.301 202 E HN 1.058 nan 8.360 nan 0.000 0.454 203 S N 1.550 117.218 115.700 -0.053 0.000 4.108 203 S HA -0.409 4.065 4.470 0.007 0.000 0.550 203 S C 1.549 176.203 174.600 0.090 0.000 1.916 203 S CA 2.846 61.094 58.200 0.079 0.000 4.207 203 S CB -1.571 61.579 63.200 -0.083 0.000 0.522 203 S HN 1.000 nan 8.310 nan 0.000 0.534 204 A N 1.026 123.714 122.820 -0.220 0.000 1.978 204 A HA 0.117 4.442 4.320 0.007 0.000 0.220 204 A C 2.641 179.898 177.584 -0.546 0.000 1.170 204 A CA 2.550 54.250 52.037 -0.562 0.000 0.636 204 A CB -1.780 16.274 19.000 -1.576 0.000 0.810 204 A HN 1.647 nan 8.150 nan 0.000 0.448 205 G N -0.400 108.131 108.800 -0.448 0.000 2.446 205 G HA2 -0.052 3.912 3.960 0.007 0.000 0.217 205 G HA3 -0.052 3.912 3.960 0.007 0.000 0.217 205 G C 1.791 176.482 174.900 -0.349 0.000 1.168 205 G CA 1.617 46.423 45.100 -0.491 0.000 0.771 205 G HN 0.832 nan 8.290 nan 0.000 0.551 206 A N 1.309 124.003 122.820 -0.211 0.000 1.883 206 A HA 0.166 4.490 4.320 0.007 0.000 0.217 206 A C 2.865 180.426 177.584 -0.039 0.000 1.186 206 A CA 2.609 54.599 52.037 -0.077 0.000 0.624 206 A CB -1.000 18.023 19.000 0.038 0.000 0.822 206 A HN 0.955 nan 8.150 nan 0.000 0.444 207 A N -0.488 122.347 122.820 0.024 0.000 1.948 207 A HA -0.119 4.205 4.320 0.007 0.000 0.220 207 A C 2.435 180.020 177.584 0.002 0.000 1.177 207 A CA 2.275 54.316 52.037 0.005 0.000 0.636 207 A CB -0.874 18.153 19.000 0.044 0.000 0.815 207 A HN 0.500 nan 8.150 nan 0.000 0.449 208 S N -0.501 115.193 115.700 -0.009 0.000 2.368 208 S HA -0.115 4.359 4.470 0.007 0.000 0.224 208 S C 1.879 176.428 174.600 -0.084 0.000 1.029 208 S CA 1.246 59.389 58.200 -0.094 0.000 0.988 208 S CB -0.572 62.505 63.200 -0.206 0.000 0.838 208 S HN 0.343 nan 8.310 nan 0.000 0.462 209 V N 1.968 121.830 119.914 -0.087 0.000 2.282 209 V HA -0.232 3.892 4.120 0.007 0.000 0.249 209 V C 2.633 178.708 176.094 -0.032 0.000 1.057 209 V CA 2.133 64.390 62.300 -0.073 0.000 1.032 209 V CB -1.512 30.258 31.823 -0.088 0.000 0.645 209 V HN 0.612 nan 8.190 nan 0.000 0.447 210 G N -1.351 107.429 108.800 -0.032 0.000 2.422 210 G HA2 -0.256 3.708 3.960 0.007 0.000 0.218 210 G HA3 -0.256 3.708 3.960 0.007 0.000 0.218 210 G C 1.598 176.510 174.900 0.019 0.000 1.146 210 G CA 0.965 46.057 45.100 -0.014 0.000 0.769 210 G HN 0.460 nan 8.290 nan 0.000 0.547 211 M N -0.242 119.348 119.600 -0.017 0.000 2.349 211 M HA 0.075 4.559 4.480 0.007 0.000 0.266 211 M C 2.250 178.619 176.300 0.115 0.000 1.076 211 M CA 0.636 55.967 55.300 0.052 0.000 1.126 211 M CB -0.103 32.504 32.600 0.012 0.000 1.392 211 M HN 0.192 nan 8.290 nan 0.000 0.440 212 H N -0.019 119.145 119.070 0.158 0.000 2.357 212 H HA -0.026 4.534 4.556 0.007 0.000 0.301 212 H C 2.135 177.633 175.328 0.283 0.000 1.082 212 H CA 1.518 57.637 56.048 0.119 0.000 1.342 212 H CB -0.379 29.274 29.762 -0.181 0.000 1.389 212 H HN 0.365 nan 8.280 nan 0.000 0.511 213 I N 0.794 121.616 120.570 0.420 0.000 2.151 213 I HA -0.287 3.887 4.170 0.007 0.000 0.243 213 I C 2.115 178.428 176.117 0.326 0.000 1.080 213 I CA 1.282 62.875 61.300 0.489 0.000 1.339 213 I CB -0.187 37.989 38.000 0.292 0.000 1.039 213 I HN 0.113 nan 8.210 nan 0.000 0.409 214 L N -0.994 120.358 121.223 0.216 0.000 2.558 214 L HA 0.063 4.407 4.340 0.007 0.000 0.225 214 L C 0.987 177.897 176.870 0.067 0.000 1.128 214 L CA 0.033 54.977 54.840 0.174 0.000 0.868 214 L CB -0.147 41.991 42.059 0.132 0.000 1.006 214 L HN 0.042 nan 8.230 nan 0.000 0.454 215 S N -0.299 115.396 115.700 -0.007 0.000 2.438 215 S HA 0.343 4.817 4.470 0.007 0.000 0.316 215 S C 0.959 175.473 174.600 -0.143 0.000 1.084 215 S CA -0.584 57.474 58.200 -0.238 0.000 1.107 215 S CB 1.311 63.995 63.200 -0.860 0.000 0.981 215 S HN 0.138 nan 8.310 nan 0.000 0.466 216 L N 6.046 127.196 121.223 -0.122 0.000 1.989 216 L HA -0.044 4.301 4.340 0.007 0.000 0.211 216 L C -0.786 176.044 176.870 -0.067 0.000 1.071 216 L CA 1.608 56.405 54.840 -0.073 0.000 0.749 216 L CB -1.018 41.001 42.059 -0.067 0.000 0.890 216 L HN 0.509 nan 8.230 nan 0.000 0.431 217 P HA -0.145 nan 4.420 nan 0.000 0.218 217 P C 1.536 178.835 177.300 -0.003 0.000 1.146 217 P CA 1.351 64.419 63.100 -0.054 0.000 0.813 217 P CB 0.054 31.714 31.700 -0.066 0.000 0.778 218 S N -1.317 114.398 115.700 0.025 0.000 2.470 218 S HA 0.006 4.480 4.470 0.007 0.000 0.225 218 S C 1.837 176.589 174.600 0.254 0.000 1.006 218 S CA 0.388 58.703 58.200 0.192 0.000 0.934 218 S CB -0.346 63.089 63.200 0.391 0.000 0.778 218 S HN 0.045 nan 8.310 nan 0.000 0.517 219 R N 2.096 122.651 120.500 0.091 0.000 2.081 219 R HA -0.012 4.332 4.340 0.007 0.000 0.235 219 R C 2.229 178.350 176.300 -0.298 0.000 1.131 219 R CA 1.507 57.527 56.100 -0.134 0.000 0.960 219 R CB -1.407 28.831 30.300 -0.104 0.000 0.856 219 R HN 0.543 nan 8.270 nan 0.000 0.436 220 S N 0.324 115.939 115.700 -0.143 0.000 2.660 220 S HA 0.046 4.520 4.470 0.007 0.000 0.228 220 S C 1.654 176.167 174.600 -0.146 0.000 0.966 220 S CA 0.456 58.570 58.200 -0.143 0.000 0.940 220 S CB -0.254 62.907 63.200 -0.065 0.000 0.773 220 S HN 0.227 nan 8.310 nan 0.000 0.535 221 L N -0.151 121.015 121.223 -0.095 0.000 2.731 221 L HA 0.482 4.826 4.340 0.007 0.000 0.240 221 L C -0.009 176.886 176.870 0.041 0.000 1.120 221 L CA -0.277 54.572 54.840 0.016 0.000 0.913 221 L CB 0.177 42.300 42.059 0.106 0.000 1.213 221 L HN 0.497 nan 8.230 nan 0.000 0.515 222 F N -4.046 115.693 119.950 -0.352 0.000 2.741 222 F HA 0.478 5.009 4.527 0.006 0.000 0.313 222 F C 0.324 175.799 175.800 -0.541 0.000 1.153 222 F CA -0.992 56.774 58.000 -0.390 0.000 0.931 222 F CB 0.801 39.729 39.000 -0.119 0.000 1.335 222 F HN -0.149 nan 8.300 nan 0.000 0.460 223 H N -0.530 118.542 119.070 0.004 0.000 3.205 223 H HA 0.449 5.009 4.556 0.007 0.000 0.252 223 H C -0.204 175.115 175.328 -0.015 0.000 1.015 223 H CA -0.004 55.979 56.048 -0.109 0.000 1.192 223 H CB 1.025 30.751 29.762 -0.061 0.000 1.474 223 H HN 0.448 nan 8.280 nan 0.000 0.484 224 R N 0.227 120.902 120.500 0.292 0.000 2.668 224 R HA 0.679 5.024 4.340 0.007 0.000 0.272 224 R C -1.479 175.130 176.300 0.515 0.000 1.019 224 R CA -0.586 55.693 56.100 0.298 0.000 0.894 224 R CB 2.946 33.217 30.300 -0.049 0.000 1.228 224 R HN 0.140 nan 8.270 nan 0.000 0.460 225 A N 1.663 124.806 122.820 0.539 0.000 2.449 225 A HA 0.729 5.053 4.320 0.007 0.000 0.302 225 A C -1.311 176.415 177.584 0.236 0.000 1.048 225 A CA -0.631 51.632 52.037 0.375 0.000 0.708 225 A CB 1.829 21.023 19.000 0.322 0.000 1.274 225 A HN 0.318 nan 8.150 nan 0.000 0.410 226 V N 2.154 122.164 119.914 0.161 0.000 2.483 226 V HA 0.490 4.615 4.120 0.007 0.000 0.297 226 V C -1.131 175.044 176.094 0.134 0.000 1.027 226 V CA -0.322 61.997 62.300 0.032 0.000 0.855 226 V CB 1.226 33.092 31.823 0.071 0.000 0.995 226 V HN 0.681 nan 8.190 nan 0.000 0.424 227 L N 5.046 126.326 121.223 0.094 0.000 2.318 227 L HA 0.509 4.854 4.340 0.007 0.000 0.277 227 L C 0.066 177.049 176.870 0.188 0.000 1.008 227 L CA 0.037 54.938 54.840 0.101 0.000 0.846 227 L CB 1.445 43.520 42.059 0.025 0.000 1.220 227 L HN 0.636 nan 8.230 nan 0.000 0.423 228 Q N 1.909 121.878 119.800 0.281 0.000 2.331 228 Q HA 0.402 4.746 4.340 0.007 0.000 0.257 228 Q C 0.335 176.478 176.000 0.238 0.000 0.957 228 Q CA -0.470 55.566 55.803 0.389 0.000 0.923 228 Q CB 1.142 30.208 28.738 0.547 0.000 1.212 228 Q HN 0.616 nan 8.270 nan 0.000 0.443 229 S N 1.027 116.852 115.700 0.209 0.000 3.614 229 S HA -0.180 4.294 4.470 0.007 0.000 0.360 229 S C 0.042 174.849 174.600 0.345 0.000 1.023 229 S CA 0.585 58.936 58.200 0.251 0.000 1.114 229 S CB -1.125 62.217 63.200 0.238 0.000 0.907 229 S HN 0.956 nan 8.310 nan 0.000 0.470 230 G N -0.369 108.584 108.800 0.255 0.000 2.703 230 G HA2 0.692 4.656 3.960 0.007 0.000 0.294 230 G HA3 0.692 4.656 3.960 0.007 0.000 0.294 230 G C -0.909 174.075 174.900 0.140 0.000 1.451 230 G CA 0.172 45.480 45.100 0.347 0.000 0.869 230 G HN 0.866 nan 8.290 nan 0.000 0.516 231 T N -1.206 113.375 114.554 0.046 0.000 2.889 231 T HA 0.697 5.051 4.350 0.007 0.000 0.315 231 T C -2.424 172.132 174.700 -0.240 0.000 1.291 231 T CA -1.333 60.705 62.100 -0.103 0.000 1.028 231 T CB 3.024 71.811 68.868 -0.135 0.000 1.235 231 T HN 0.273 nan 8.240 nan 0.000 0.491 232 P HA -0.007 nan 4.420 nan 0.000 0.220 232 P C 0.257 177.381 177.300 -0.294 0.000 1.152 232 P CA 0.651 63.613 63.100 -0.230 0.000 0.812 232 P CB -0.050 31.575 31.700 -0.125 0.000 0.792 233 N N 0.708 119.260 118.700 -0.247 0.000 2.379 233 N HA 0.324 5.069 4.740 0.007 0.000 0.260 233 N C 0.721 176.018 175.510 -0.354 0.000 1.254 233 N CA 0.506 53.410 53.050 -0.243 0.000 0.958 233 N CB 0.104 38.495 38.487 -0.160 0.000 1.208 233 N HN 0.207 nan 8.380 nan 0.000 0.532 234 G N -1.051 107.559 108.800 -0.315 0.000 2.555 234 G HA2 -0.098 3.866 3.960 0.007 0.000 0.686 234 G HA3 -0.098 3.866 3.960 0.007 0.000 0.686 234 G C -2.357 172.291 174.900 -0.420 0.000 1.275 234 G CA -0.277 44.585 45.100 -0.397 0.000 0.871 234 G HN 0.533 nan 8.290 nan 0.000 0.603 235 P HA 0.105 nan 4.420 nan 0.000 0.236 235 P C 1.484 178.695 177.300 -0.148 0.000 1.177 235 P CA 1.796 64.759 63.100 -0.229 0.000 0.773 235 P CB -0.037 31.523 31.700 -0.233 0.000 0.878 236 W N -1.121 120.056 121.300 -0.205 0.000 2.871 236 W HA 0.497 5.160 4.660 0.005 0.000 0.267 236 W C 1.283 177.855 176.519 0.088 0.000 1.180 236 W CA 0.493 57.799 57.345 -0.064 0.000 1.463 236 W CB -0.929 28.508 29.460 -0.038 0.000 0.966 236 W HN -0.170 nan 8.180 nan 0.000 0.605 237 A N 1.932 124.247 122.820 -0.842 0.000 2.014 237 A HA 0.041 4.366 4.320 0.007 0.000 0.218 237 A C 1.346 178.707 177.584 -0.372 0.000 1.163 237 A CA 2.040 53.648 52.037 -0.715 0.000 0.652 237 A CB -0.970 17.372 19.000 -1.097 0.000 0.808 237 A HN 0.310 nan 8.150 nan 0.000 0.449 238 T N -3.597 110.776 114.554 -0.302 0.000 2.888 238 T HA 0.645 4.999 4.350 0.007 0.000 0.288 238 T C -0.495 174.119 174.700 -0.144 0.000 1.063 238 T CA -0.124 61.837 62.100 -0.233 0.000 1.010 238 T CB 1.389 70.137 68.868 -0.200 0.000 1.214 238 T HN 0.858 nan 8.240 nan 0.000 0.533 239 V N -1.326 118.520 119.914 -0.114 0.000 3.040 239 V HA 0.852 4.976 4.120 0.007 0.000 0.312 239 V C 0.353 176.413 176.094 -0.058 0.000 1.115 239 V CA -0.918 61.337 62.300 -0.075 0.000 0.998 239 V CB 1.218 33.004 31.823 -0.063 0.000 1.042 239 V HN 1.358 nan 8.190 nan 0.000 0.433 240 S N 1.552 117.225 115.700 -0.044 0.000 2.587 240 S HA 0.500 4.974 4.470 0.007 0.000 0.260 240 S C 1.368 175.956 174.600 -0.020 0.000 1.353 240 S CA 0.170 58.352 58.200 -0.031 0.000 0.995 240 S CB 0.947 64.131 63.200 -0.027 0.000 0.912 240 S HN 1.909 nan 8.310 nan 0.000 0.568 241 A N 1.349 124.163 122.820 -0.011 0.000 1.930 241 A HA 0.192 4.517 4.320 0.007 0.000 0.217 241 A C 2.216 179.799 177.584 -0.002 0.000 1.175 241 A CA 1.407 53.443 52.037 -0.001 0.000 0.627 241 A CB -1.764 17.237 19.000 0.002 0.000 0.815 241 A HN 1.097 nan 8.150 nan 0.000 0.443 242 G N -0.306 108.489 108.800 -0.008 0.000 2.418 242 G HA2 -0.237 3.728 3.960 0.007 0.000 0.217 242 G HA3 -0.237 3.728 3.960 0.007 0.000 0.217 242 G C 1.489 176.383 174.900 -0.010 0.000 1.158 242 G CA 1.413 46.508 45.100 -0.008 0.000 0.771 242 G HN 0.560 nan 8.290 nan 0.000 0.545 243 E N 1.091 121.281 120.200 -0.018 0.000 2.028 243 E HA 0.078 4.432 4.350 0.007 0.000 0.191 243 E C 2.738 179.322 176.600 -0.026 0.000 0.988 243 E CA 1.465 57.849 56.400 -0.027 0.000 0.799 243 E CB -0.753 28.925 29.700 -0.038 0.000 0.755 243 E HN 0.236 nan 8.360 nan 0.000 0.447 244 A N 1.249 124.061 122.820 -0.013 0.000 1.903 244 A HA -0.321 4.003 4.320 0.007 0.000 0.219 244 A C 2.349 179.960 177.584 0.045 0.000 1.191 244 A CA 2.394 54.446 52.037 0.025 0.000 0.638 244 A CB -0.837 18.189 19.000 0.042 0.000 0.823 244 A HN 0.326 nan 8.150 nan 0.000 0.451 245 R N -0.796 119.717 120.500 0.022 0.000 2.080 245 R HA -0.168 4.176 4.340 0.007 0.000 0.236 245 R C 2.520 178.832 176.300 0.020 0.000 1.137 245 R CA 1.742 57.852 56.100 0.017 0.000 0.943 245 R CB -0.355 29.947 30.300 0.005 0.000 0.846 245 R HN 0.536 nan 8.270 nan 0.000 0.431 246 R N 0.507 121.012 120.500 0.009 0.000 2.091 246 R HA -0.154 4.190 4.340 0.007 0.000 0.238 246 R C 2.185 178.495 176.300 0.017 0.000 1.136 246 R CA 1.892 57.995 56.100 0.006 0.000 0.959 246 R CB -0.136 30.160 30.300 -0.007 0.000 0.856 246 R HN 0.289 nan 8.270 nan 0.000 0.437 247 R N -0.457 120.047 120.500 0.007 0.000 2.090 247 R HA -0.016 4.329 4.340 0.007 0.000 0.228 247 R C 2.313 178.726 176.300 0.188 0.000 1.110 247 R CA 1.181 57.281 56.100 -0.001 0.000 0.973 247 R CB -0.196 29.967 30.300 -0.228 0.000 0.869 247 R HN 0.245 nan 8.270 nan 0.000 0.440 248 A N 0.388 123.343 122.820 0.225 0.000 1.898 248 A HA -0.168 4.156 4.320 0.007 0.000 0.216 248 A C 2.247 179.874 177.584 0.071 0.000 1.181 248 A CA 1.974 54.132 52.037 0.201 0.000 0.620 248 A CB -0.877 18.167 19.000 0.073 0.000 0.819 248 A HN 0.418 nan 8.150 nan 0.000 0.442 249 T N -1.200 113.379 114.554 0.043 0.000 2.777 249 T HA -0.133 4.222 4.350 0.007 0.000 0.266 249 T C 1.825 176.542 174.700 0.028 0.000 1.040 249 T CA 1.661 63.769 62.100 0.015 0.000 1.141 249 T CB -0.413 68.456 68.868 0.003 0.000 0.868 249 T HN 0.256 nan 8.240 nan 0.000 0.444 250 L N 0.862 122.114 121.223 0.050 0.000 2.046 250 L HA 0.193 4.537 4.340 0.007 0.000 0.208 250 L C 2.340 179.254 176.870 0.074 0.000 1.077 250 L CA 1.838 56.710 54.840 0.053 0.000 0.747 250 L CB -1.206 40.884 42.059 0.053 0.000 0.896 250 L HN 0.438 nan 8.230 nan 0.000 0.432 251 L N 0.077 121.383 121.223 0.138 0.000 2.012 251 L HA -0.135 4.209 4.340 0.007 0.000 0.210 251 L C 2.534 179.429 176.870 0.041 0.000 1.073 251 L CA 2.194 57.129 54.840 0.157 0.000 0.748 251 L CB -1.048 41.186 42.059 0.292 0.000 0.891 251 L HN 0.290 nan 8.230 nan 0.000 0.431 252 A N -0.112 122.714 122.820 0.010 0.000 1.869 252 A HA -0.335 3.989 4.320 0.007 0.000 0.218 252 A C 2.453 180.019 177.584 -0.030 0.000 1.203 252 A CA 2.439 54.460 52.037 -0.026 0.000 0.638 252 A CB -0.874 18.105 19.000 -0.036 0.000 0.831 252 A HN 0.551 nan 8.150 nan 0.000 0.450 253 R N -0.925 119.565 120.500 -0.017 0.000 2.112 253 R HA -0.171 4.173 4.340 0.007 0.000 0.242 253 R C 2.107 178.373 176.300 -0.056 0.000 1.137 253 R CA 1.892 57.978 56.100 -0.023 0.000 0.944 253 R CB -0.602 29.695 30.300 -0.006 0.000 0.857 253 R HN 0.588 nan 8.270 nan 0.000 0.435 254 L N 0.444 121.623 121.223 -0.074 0.000 2.265 254 L HA -0.098 4.246 4.340 0.007 0.000 0.215 254 L C 1.948 178.596 176.870 -0.370 0.000 1.117 254 L CA 0.627 55.357 54.840 -0.184 0.000 0.782 254 L CB -0.068 41.910 42.059 -0.135 0.000 0.914 254 L HN 0.193 nan 8.230 nan 0.000 0.441 255 V N -3.888 115.886 119.914 -0.233 0.000 3.483 255 V HA 0.510 4.634 4.120 0.007 0.000 0.301 255 V C 0.826 176.868 176.094 -0.087 0.000 1.389 255 V CA 0.077 62.267 62.300 -0.184 0.000 1.101 255 V CB -0.286 31.477 31.823 -0.100 0.000 0.971 255 V HN 0.344 nan 8.190 nan 0.000 0.434 256 G N -0.016 108.741 108.800 -0.073 0.000 2.623 256 G HA2 -0.145 3.819 3.960 0.007 0.000 0.281 256 G HA3 -0.145 3.819 3.960 0.007 0.000 0.281 256 G C -0.333 174.552 174.900 -0.024 0.000 1.087 256 G CA -0.110 44.966 45.100 -0.040 0.000 1.244 256 G HN 0.909 nan 8.290 nan 0.000 0.544 266 D N 1.345 121.739 120.400 -0.010 0.000 2.162 266 D HA -0.024 4.620 4.640 0.007 0.000 0.203 266 D C 1.464 177.755 176.300 -0.015 0.000 0.967 266 D CA 1.506 55.495 54.000 -0.018 0.000 0.840 266 D CB 0.184 40.973 40.800 -0.019 0.000 0.972 266 D HN 0.614 nan 8.370 nan 0.000 0.482 267 T N 1.270 115.823 114.554 -0.003 0.000 2.607 267 T HA -0.185 4.169 4.350 0.007 0.000 0.267 267 T C 1.771 176.476 174.700 0.008 0.000 1.049 267 T CA 1.221 63.325 62.100 0.007 0.000 1.162 267 T CB -0.394 68.481 68.868 0.011 0.000 0.863 267 T HN 0.241 nan 8.240 nan 0.000 0.424 268 E N 0.531 120.734 120.200 0.005 0.000 2.086 268 E HA -0.178 4.176 4.350 0.007 0.000 0.200 268 E C 2.221 178.823 176.600 0.003 0.000 1.012 268 E CA 1.229 57.633 56.400 0.006 0.000 0.812 268 E CB -0.351 29.350 29.700 0.002 0.000 0.743 268 E HN 0.356 nan 8.360 nan 0.000 0.453 269 L N 0.675 121.892 121.223 -0.009 0.000 1.976 269 L HA -0.207 4.138 4.340 0.007 0.000 0.209 269 L C 2.369 179.223 176.870 -0.027 0.000 1.071 269 L CA 1.310 56.136 54.840 -0.023 0.000 0.746 269 L CB -0.168 41.868 42.059 -0.038 0.000 0.890 269 L HN 0.105 nan 8.230 nan 0.000 0.432 270 I N -0.216 120.332 120.570 -0.038 0.000 2.208 270 I HA -0.322 3.852 4.170 0.007 0.000 0.245 270 I C 2.688 178.854 176.117 0.082 0.000 1.097 270 I CA 1.245 62.531 61.300 -0.024 0.000 1.363 270 I CB -0.578 37.410 38.000 -0.020 0.000 1.051 270 I HN 0.361 nan 8.210 nan 0.000 0.413 271 A N -0.449 122.406 122.820 0.058 0.000 1.978 271 A HA -0.310 4.015 4.320 0.007 0.000 0.220 271 A C 2.514 180.137 177.584 0.065 0.000 1.170 271 A CA 2.075 54.151 52.037 0.064 0.000 0.636 271 A CB -1.303 17.720 19.000 0.039 0.000 0.810 271 A HN 0.655 nan 8.150 nan 0.000 0.448 272 c N -0.816 117.813 118.600 0.048 0.000 2.476 272 c HA 0.080 4.654 4.570 0.007 0.000 0.278 272 c C 2.542 176.671 174.090 0.066 0.000 1.274 272 c CA 0.932 57.285 56.329 0.040 0.000 1.713 272 c CB -1.519 41.002 42.510 0.018 0.000 2.039 272 c HN 0.593 nan 8.230 nan 0.000 0.484 273 L N 0.560 121.837 121.223 0.090 0.000 2.089 273 L HA -0.194 4.151 4.340 0.007 0.000 0.213 273 L C 2.909 179.931 176.870 0.254 0.000 1.079 273 L CA 1.778 56.723 54.840 0.175 0.000 0.758 273 L CB -0.610 41.542 42.059 0.155 0.000 0.891 273 L HN 0.398 nan 8.230 nan 0.000 0.433 274 R N -0.924 119.718 120.500 0.237 0.000 2.280 274 R HA -0.085 4.259 4.340 0.007 0.000 0.207 274 R C 2.124 178.451 176.300 0.045 0.000 1.043 274 R CA 1.422 57.588 56.100 0.110 0.000 1.006 274 R CB -0.189 30.168 30.300 0.096 0.000 0.885 274 R HN 0.511 nan 8.270 nan 0.000 0.467 275 T N -1.913 112.673 114.554 0.053 0.000 3.057 275 T HA 0.122 4.476 4.350 0.007 0.000 0.254 275 T C 0.932 175.646 174.700 0.024 0.000 1.094 275 T CA -0.257 61.859 62.100 0.028 0.000 1.088 275 T CB 0.255 69.138 68.868 0.025 0.000 0.934 275 T HN -0.138 nan 8.240 nan 0.000 0.497 276 R N 2.867 123.391 120.500 0.040 0.000 2.543 276 R HA 0.346 4.690 4.340 0.007 0.000 0.277 276 R C -2.697 173.616 176.300 0.022 0.000 1.074 276 R CA -2.310 53.811 56.100 0.036 0.000 1.076 276 R CB -0.284 30.047 30.300 0.051 0.000 0.993 276 R HN 0.294 nan 8.270 nan 0.000 0.459 277 P HA 0.044 nan 4.420 nan 0.000 0.271 277 P C 0.296 177.569 177.300 -0.045 0.000 1.216 277 P CA 0.069 63.150 63.100 -0.032 0.000 0.776 277 P CB 0.612 32.300 31.700 -0.020 0.000 0.881 278 A N 2.820 125.534 122.820 -0.176 0.000 1.896 278 A HA -0.328 3.996 4.320 0.007 0.000 0.220 278 A C 2.201 179.697 177.584 -0.147 0.000 1.206 278 A CA 2.319 54.205 52.037 -0.251 0.000 0.647 278 A CB -1.521 16.740 19.000 -1.232 0.000 0.828 278 A HN 0.537 nan 8.150 nan 0.000 0.455 279 Q N -0.206 119.432 119.800 -0.270 0.000 2.096 279 Q HA -0.192 4.152 4.340 0.007 0.000 0.204 279 Q C 1.512 177.621 176.000 0.181 0.000 0.982 279 Q CA 2.296 58.163 55.803 0.107 0.000 0.850 279 Q CB -0.607 28.217 28.738 0.143 0.000 0.901 279 Q HN 0.662 nan 8.270 nan 0.000 0.422 280 D N -0.776 119.700 120.400 0.127 0.000 2.123 280 D HA -0.132 4.512 4.640 0.007 0.000 0.196 280 D C 1.719 178.164 176.300 0.241 0.000 0.992 280 D CA 1.070 55.179 54.000 0.182 0.000 0.833 280 D CB -0.077 40.798 40.800 0.126 0.000 0.954 280 D HN 0.287 nan 8.370 nan 0.000 0.455 281 L N -0.386 120.943 121.223 0.176 0.000 2.072 281 L HA -0.109 4.235 4.340 0.007 0.000 0.205 281 L C 2.417 179.401 176.870 0.190 0.000 1.079 281 L CA 0.482 55.392 54.840 0.117 0.000 0.752 281 L CB -0.433 41.572 42.059 -0.090 0.000 0.906 281 L HN -0.009 nan 8.230 nan 0.000 0.436 282 V N -0.003 120.091 119.914 0.301 0.000 2.233 282 V HA -0.318 3.806 4.120 0.007 0.000 0.247 282 V C 2.088 178.374 176.094 0.321 0.000 1.050 282 V CA 2.065 64.605 62.300 0.399 0.000 1.010 282 V CB -0.571 31.592 31.823 0.567 0.000 0.637 282 V HN 0.410 nan 8.190 nan 0.000 0.444 283 D N -0.843 119.703 120.400 0.243 0.000 2.254 283 D HA -0.201 4.444 4.640 0.007 0.000 0.201 283 D C 1.793 177.944 176.300 -0.249 0.000 0.998 283 D CA 1.736 55.759 54.000 0.038 0.000 0.885 283 D CB -0.232 40.541 40.800 -0.044 0.000 0.915 283 D HN 0.686 nan 8.370 nan 0.000 0.460 284 H N -1.448 117.676 119.070 0.089 0.000 2.755 284 H HA 0.135 4.695 4.556 0.007 0.000 0.273 284 H C 1.587 177.020 175.328 0.175 0.000 1.055 284 H CA 0.228 56.297 56.048 0.036 0.000 1.191 284 H CB 0.448 30.227 29.762 0.028 0.000 1.536 284 H HN 0.253 nan 8.280 nan 0.000 0.529 285 E N 0.116 120.515 120.200 0.332 0.000 2.118 285 E HA -0.249 4.106 4.350 0.007 0.000 0.195 285 E C 1.379 178.242 176.600 0.437 0.000 0.992 285 E CA 1.096 57.780 56.400 0.473 0.000 0.804 285 E CB -0.299 29.668 29.700 0.446 0.000 0.741 285 E HN 0.430 nan 8.360 nan 0.000 0.458 286 W N 2.122 123.473 121.300 0.085 0.000 2.476 286 W HA -0.012 4.652 4.660 0.007 0.000 0.281 286 W C 1.609 178.224 176.519 0.160 0.000 1.230 286 W CA 1.020 58.375 57.345 0.018 0.000 1.287 286 W CB -0.343 29.019 29.460 -0.163 0.000 1.108 286 W HN 0.219 nan 8.180 nan 0.000 0.567 287 H N -0.283 118.870 119.070 0.138 0.000 2.518 287 H HA -0.112 4.449 4.556 0.007 0.000 0.294 287 H C 2.131 177.493 175.328 0.056 0.000 1.083 287 H CA 1.542 57.618 56.048 0.048 0.000 1.264 287 H CB -1.753 28.035 29.762 0.043 0.000 1.370 287 H HN 0.184 nan 8.280 nan 0.000 0.560 288 V N -1.578 118.452 119.914 0.193 0.000 3.636 288 V HA 0.154 4.279 4.120 0.007 0.000 0.279 288 V C 0.724 176.820 176.094 0.004 0.000 1.263 288 V CA -0.035 62.315 62.300 0.083 0.000 1.182 288 V CB -1.112 30.751 31.823 0.067 0.000 0.955 288 V HN 0.067 nan 8.190 nan 0.000 0.443 289 L N 2.252 123.490 121.223 0.025 0.000 2.331 289 L HA 0.357 4.701 4.340 0.007 0.000 0.278 289 L C -0.432 176.424 176.870 -0.023 0.000 1.106 289 L CA -1.463 53.375 54.840 -0.002 0.000 0.824 289 L CB 1.469 43.559 42.059 0.052 0.000 1.142 289 L HN 0.115 nan 8.230 nan 0.000 0.443 290 P HA -0.133 nan 4.420 nan 0.000 0.219 290 P C -0.243 177.039 177.300 -0.029 0.000 1.146 290 P CA 1.248 64.331 63.100 -0.028 0.000 0.808 290 P CB 0.381 32.065 31.700 -0.026 0.000 0.779 291 Q N -1.528 118.254 119.800 -0.030 0.000 2.544 291 Q HA 0.358 4.702 4.340 0.007 0.000 0.291 291 Q C -0.620 175.354 176.000 -0.043 0.000 1.068 291 Q CA -0.799 54.984 55.803 -0.033 0.000 0.785 291 Q CB 0.961 29.687 28.738 -0.020 0.000 1.481 291 Q HN -0.085 nan 8.270 nan 0.000 0.430 292 E N 0.664 120.834 120.200 -0.049 0.000 2.406 292 E HA 0.265 4.619 4.350 0.007 0.000 0.258 292 E C -0.941 175.651 176.600 -0.014 0.000 1.043 292 E CA 0.255 56.624 56.400 -0.052 0.000 0.929 292 E CB 0.319 29.989 29.700 -0.050 0.000 0.969 292 E HN 0.446 nan 8.360 nan 0.000 0.462 293 S N 4.044 119.751 115.700 0.012 0.000 2.570 293 S HA 0.537 5.011 4.470 0.007 0.000 0.286 293 S C -0.238 174.405 174.600 0.072 0.000 1.099 293 S CA -0.892 57.323 58.200 0.026 0.000 0.913 293 S CB 1.142 64.344 63.200 0.004 0.000 1.085 293 S HN 0.546 nan 8.310 nan 0.000 0.480 294 I N -1.285 119.318 120.570 0.054 0.000 2.750 294 I HA 0.658 4.832 4.170 0.007 0.000 0.308 294 I C -0.111 175.982 176.117 -0.040 0.000 1.016 294 I CA -0.884 60.469 61.300 0.089 0.000 1.098 294 I CB 0.548 38.648 38.000 0.167 0.000 1.279 294 I HN 0.631 nan 8.210 nan 0.000 0.454 295 F N 1.688 121.421 119.950 -0.361 0.000 3.100 295 F HA -0.197 4.334 4.527 0.007 0.000 0.283 295 F C -0.175 174.997 175.800 -1.047 0.000 0.900 295 F CA 0.661 58.121 58.000 -0.899 0.000 1.010 295 F CB -0.706 37.656 39.000 -1.063 0.000 1.029 295 F HN 0.586 nan 8.300 nan 0.000 0.637 296 R N 0.436 120.484 120.500 -0.754 0.000 2.599 296 R HA 0.664 5.009 4.340 0.007 0.000 0.295 296 R C -0.857 174.979 176.300 -0.772 0.000 0.963 296 R CA -0.540 55.182 56.100 -0.629 0.000 0.883 296 R CB 1.212 31.395 30.300 -0.195 0.000 1.171 296 R HN 0.031 nan 8.270 nan 0.000 0.450 297 F N -0.927 119.101 119.950 0.130 0.000 2.563 297 F HA 0.370 4.901 4.527 0.006 0.000 0.316 297 F C 1.510 177.326 175.800 0.026 0.000 1.076 297 F CA -0.850 57.191 58.000 0.069 0.000 0.921 297 F CB 1.773 40.910 39.000 0.227 0.000 1.209 297 F HN 0.322 nan 8.300 nan 0.000 0.462 298 S N 0.637 116.407 115.700 0.117 0.000 2.355 298 S HA 0.025 4.500 4.470 0.007 0.000 0.222 298 S C -0.050 174.230 174.600 -0.533 0.000 1.031 298 S CA 1.173 59.236 58.200 -0.228 0.000 0.993 298 S CB -0.183 62.895 63.200 -0.204 0.000 0.859 298 S HN 0.371 nan 8.310 nan 0.000 0.453 299 F N 1.377 121.450 119.950 0.205 0.000 2.430 299 F HA 0.521 5.052 4.527 0.007 0.000 0.362 299 F C -0.087 175.764 175.800 0.085 0.000 1.103 299 F CA -0.991 57.118 58.000 0.181 0.000 1.045 299 F CB 1.295 40.442 39.000 0.245 0.000 1.276 299 F HN -0.115 nan 8.300 nan 0.000 0.444 300 V N 0.639 120.546 119.914 -0.012 0.000 3.141 300 V HA 0.766 4.890 4.120 0.007 0.000 0.312 300 V C -2.846 172.910 176.094 -0.563 0.000 1.157 300 V CA -3.449 58.495 62.300 -0.593 0.000 1.041 300 V CB 1.994 33.632 31.823 -0.308 0.000 1.071 300 V HN 0.260 nan 8.190 nan 0.000 0.441 301 P HA 0.024 nan 4.420 nan 0.000 0.261 301 P C -0.521 176.649 177.300 -0.217 0.000 1.165 301 P CA 0.656 63.498 63.100 -0.431 0.000 0.759 301 P CB 0.312 31.669 31.700 -0.571 0.000 0.772 302 V N 5.694 125.559 119.914 -0.081 0.000 2.472 302 V HA 0.161 4.286 4.120 0.007 0.000 0.290 302 V C -0.084 175.991 176.094 -0.031 0.000 1.037 302 V CA -0.744 61.531 62.300 -0.042 0.000 0.908 302 V CB 1.651 33.482 31.823 0.013 0.000 0.985 302 V HN 0.161 nan 8.190 nan 0.000 0.454 303 V N 7.766 127.661 119.914 -0.031 0.000 2.393 303 V HA 0.105 4.229 4.120 0.007 0.000 0.257 303 V C 0.862 176.964 176.094 0.014 0.000 1.040 303 V CA 0.472 62.769 62.300 -0.005 0.000 1.097 303 V CB -0.173 31.639 31.823 -0.019 0.000 1.101 303 V HN 1.076 nan 8.190 nan 0.000 0.479 304 D N 2.602 123.026 120.400 0.040 0.000 2.360 304 D HA 0.112 4.756 4.640 0.007 0.000 0.210 304 D C 1.536 177.861 176.300 0.043 0.000 1.047 304 D CA 0.549 54.576 54.000 0.045 0.000 0.854 304 D CB 0.122 40.964 40.800 0.070 0.000 0.936 304 D HN 0.688 nan 8.370 nan 0.000 0.514 305 G N 0.847 109.672 108.800 0.041 0.000 2.273 305 G HA2 -0.306 3.659 3.960 0.007 0.000 0.280 305 G HA3 -0.306 3.659 3.960 0.007 0.000 0.280 305 G C 0.186 175.109 174.900 0.039 0.000 1.047 305 G CA 0.909 46.028 45.100 0.032 0.000 0.869 305 G HN 0.562 nan 8.290 nan 0.000 0.502 306 D N -1.930 118.508 120.400 0.064 0.000 2.797 306 D HA 0.133 4.777 4.640 0.007 0.000 0.151 306 D C 1.587 177.937 176.300 0.083 0.000 1.472 306 D CA 0.459 54.499 54.000 0.066 0.000 1.553 306 D CB -0.782 40.068 40.800 0.083 0.000 1.590 306 D HN 0.102 nan 8.370 nan 0.000 0.217 307 F N 1.490 121.446 119.950 0.010 0.000 2.069 307 F HA 0.175 4.705 4.527 0.006 0.000 0.298 307 F C 0.645 176.443 175.800 -0.003 0.000 1.113 307 F CA 1.318 59.323 58.000 0.007 0.000 1.214 307 F CB 0.092 39.091 39.000 -0.002 0.000 0.978 307 F HN 0.006 nan 8.300 nan 0.000 0.474 308 L N 0.821 122.206 121.223 0.270 0.000 2.264 308 L HA 0.181 4.525 4.340 0.007 0.000 0.287 308 L C 1.508 178.419 176.870 0.069 0.000 1.039 308 L CA -0.109 54.820 54.840 0.149 0.000 0.829 308 L CB 1.324 43.462 42.059 0.132 0.000 1.211 308 L HN 0.144 nan 8.230 nan 0.000 0.427 309 S N 1.323 117.041 115.700 0.031 0.000 2.383 309 S HA -0.106 4.368 4.470 0.007 0.000 0.229 309 S C 0.562 175.172 174.600 0.016 0.000 1.030 309 S CA 1.039 59.248 58.200 0.015 0.000 1.002 309 S CB 0.133 63.332 63.200 -0.003 0.000 0.829 309 S HN 0.752 nan 8.310 nan 0.000 0.467 310 D N -0.281 120.130 120.400 0.018 0.000 2.752 310 D HA 0.286 4.931 4.640 0.007 0.000 0.313 310 D C -1.005 175.299 176.300 0.006 0.000 1.225 310 D CA 0.150 54.155 54.000 0.009 0.000 0.976 310 D CB 1.397 42.201 40.800 0.007 0.000 1.443 310 D HN 0.292 nan 8.370 nan 0.000 0.515 311 T N -0.454 114.096 114.554 -0.006 0.000 2.928 311 T HA 0.200 4.554 4.350 0.007 0.000 0.305 311 T C -1.811 172.879 174.700 -0.017 0.000 1.035 311 T CA -0.765 61.321 62.100 -0.022 0.000 1.145 311 T CB 0.940 69.789 68.868 -0.032 0.000 0.963 311 T HN 0.128 nan 8.240 nan 0.000 0.545 312 P HA -0.164 nan 4.420 nan 0.000 0.217 312 P C 1.535 178.819 177.300 -0.027 0.000 1.151 312 P CA 1.123 64.203 63.100 -0.034 0.000 0.849 312 P CB 0.099 31.745 31.700 -0.090 0.000 0.787 313 E N -0.663 119.512 120.200 -0.043 0.000 2.049 313 E HA -0.255 4.099 4.350 0.007 0.000 0.198 313 E C 1.954 178.555 176.600 0.002 0.000 1.007 313 E CA 1.556 57.938 56.400 -0.030 0.000 0.809 313 E CB -0.478 29.200 29.700 -0.037 0.000 0.749 313 E HN 0.096 nan 8.360 nan 0.000 0.450 314 A N 1.035 123.858 122.820 0.005 0.000 1.858 314 A HA -0.172 4.152 4.320 0.007 0.000 0.216 314 A C 2.257 179.869 177.584 0.046 0.000 1.190 314 A CA 1.340 53.389 52.037 0.019 0.000 0.617 314 A CB -0.830 18.175 19.000 0.009 0.000 0.827 314 A HN 0.272 nan 8.150 nan 0.000 0.443 315 L N 0.016 121.272 121.223 0.055 0.000 2.079 315 L HA -0.219 4.125 4.340 0.007 0.000 0.210 315 L C 2.617 179.614 176.870 0.212 0.000 1.081 315 L CA 1.764 56.667 54.840 0.104 0.000 0.752 315 L CB -0.809 41.309 42.059 0.099 0.000 0.896 315 L HN 0.708 nan 8.230 nan 0.000 0.433 316 I N -2.998 117.670 120.570 0.163 0.000 2.333 316 I HA -0.114 4.061 4.170 0.007 0.000 0.246 316 I C 2.112 178.353 176.117 0.206 0.000 1.106 316 I CA 1.170 62.590 61.300 0.199 0.000 1.411 316 I CB -0.519 37.486 38.000 0.008 0.000 1.082 316 I HN 0.122 nan 8.210 nan 0.000 0.420 317 N N 1.413 120.180 118.700 0.112 0.000 2.205 317 N HA -0.167 4.577 4.740 0.007 0.000 0.186 317 N C 1.910 177.476 175.510 0.092 0.000 1.015 317 N CA 2.478 55.580 53.050 0.087 0.000 0.862 317 N CB -0.453 38.063 38.487 0.048 0.000 0.986 317 N HN 0.761 nan 8.380 nan 0.000 0.429 318 T N -4.094 110.513 114.554 0.088 0.000 3.058 318 T HA 0.256 4.610 4.350 0.007 0.000 0.247 318 T C 1.174 175.863 174.700 -0.019 0.000 0.987 318 T CA 0.177 62.298 62.100 0.035 0.000 1.062 318 T CB -0.524 68.352 68.868 0.013 0.000 1.048 318 T HN 0.080 nan 8.240 nan 0.000 0.468 319 G N 2.590 111.363 108.800 -0.044 0.000 2.690 319 G HA2 0.376 4.340 3.960 0.007 0.000 0.239 319 G HA3 0.376 4.340 3.960 0.007 0.000 0.239 319 G C -0.615 173.915 174.900 -0.615 0.000 1.233 319 G CA 0.059 44.968 45.100 -0.318 0.000 0.847 319 G HN 0.692 nan 8.290 nan 0.000 0.588 320 D N -0.821 119.129 120.400 -0.750 0.000 2.350 320 D HA 0.382 5.026 4.640 0.007 0.000 0.245 320 D C -1.067 174.735 176.300 -0.830 0.000 1.036 320 D CA -0.780 52.847 54.000 -0.622 0.000 0.848 320 D CB 1.615 42.267 40.800 -0.247 0.000 1.307 320 D HN 0.176 nan 8.370 nan 0.000 0.469 321 F N 1.239 121.198 119.950 0.015 0.000 2.761 321 F HA 0.228 4.759 4.527 0.007 0.000 0.367 321 F C 1.951 177.762 175.800 0.019 0.000 1.386 321 F CA -0.658 57.353 58.000 0.020 0.000 1.177 321 F CB 0.598 39.621 39.000 0.038 0.000 1.092 321 F HN 0.274 nan 8.300 nan 0.000 0.517 322 Q N 0.498 120.343 119.800 0.074 0.000 1.985 322 Q HA -0.244 4.100 4.340 0.007 0.000 0.207 322 Q C 1.259 177.297 176.000 0.064 0.000 0.996 322 Q CA 2.057 57.893 55.803 0.055 0.000 0.851 322 Q CB -0.149 28.592 28.738 0.006 0.000 0.921 322 Q HN 0.359 nan 8.270 nan 0.000 0.418 323 D N -0.136 120.288 120.400 0.041 0.000 2.371 323 D HA -0.021 4.623 4.640 0.007 0.000 0.234 323 D C -0.652 175.678 176.300 0.051 0.000 1.049 323 D CA 0.098 54.115 54.000 0.028 0.000 0.907 323 D CB -0.011 40.787 40.800 -0.003 0.000 0.891 323 D HN -0.076 nan 8.370 nan 0.000 0.531 324 L N 1.078 122.363 121.223 0.103 0.000 2.296 324 L HA 0.393 4.737 4.340 0.007 0.000 0.286 324 L C -0.975 175.990 176.870 0.158 0.000 1.023 324 L CA -0.393 54.530 54.840 0.140 0.000 0.812 324 L CB 1.583 43.769 42.059 0.211 0.000 1.223 324 L HN -0.205 nan 8.230 nan 0.000 0.421 325 Q N 3.731 123.640 119.800 0.181 0.000 2.316 325 Q HA 0.753 5.097 4.340 0.007 0.000 0.264 325 Q C -1.369 174.944 176.000 0.522 0.000 0.987 325 Q CA -0.474 55.504 55.803 0.291 0.000 0.852 325 Q CB 2.498 31.339 28.738 0.173 0.000 1.287 325 Q HN 0.438 nan 8.270 nan 0.000 0.448 326 V N 2.320 122.502 119.914 0.447 0.000 2.623 326 V HA 0.430 4.554 4.120 0.007 0.000 0.304 326 V C -1.342 174.693 176.094 -0.097 0.000 1.054 326 V CA -0.906 61.522 62.300 0.213 0.000 0.882 326 V CB 1.648 33.517 31.823 0.077 0.000 1.002 326 V HN 0.622 nan 8.190 nan 0.000 0.424 327 L N 7.386 128.218 121.223 -0.653 0.000 2.265 327 L HA 0.840 5.185 4.340 0.007 0.000 0.289 327 L C -0.221 176.509 176.870 -0.232 0.000 1.033 327 L CA -0.010 54.425 54.840 -0.675 0.000 0.814 327 L CB 1.377 42.554 42.059 -1.471 0.000 1.203 327 L HN 0.664 nan 8.230 nan 0.000 0.423 328 V N 2.483 122.363 119.914 -0.057 0.000 2.914 328 V HA 1.137 5.261 4.120 0.007 0.000 0.314 328 V C -0.106 175.841 176.094 -0.246 0.000 1.084 328 V CA 0.188 62.449 62.300 -0.065 0.000 0.963 328 V CB 1.241 32.985 31.823 -0.132 0.000 1.025 328 V HN 1.062 nan 8.190 nan 0.000 0.432 329 G N 0.757 109.239 108.800 -0.531 0.000 2.430 329 G HA2 0.734 4.698 3.960 0.007 0.000 0.300 329 G HA3 0.734 4.698 3.960 0.007 0.000 0.300 329 G C -1.194 173.355 174.900 -0.586 0.000 1.330 329 G CA 0.072 44.444 45.100 -1.213 0.000 0.813 329 G HN 2.055 nan 8.290 nan 0.000 0.487 330 V N -2.231 117.459 119.914 -0.374 0.000 3.130 330 V HA 0.925 5.049 4.120 0.007 0.000 0.310 330 V C 0.404 176.665 176.094 0.277 0.000 1.158 330 V CA -0.415 61.904 62.300 0.033 0.000 1.029 330 V CB 1.132 32.959 31.823 0.005 0.000 1.057 330 V HN 1.795 nan 8.190 nan 0.000 0.436 331 V N -0.388 119.725 119.914 0.331 0.000 3.109 331 V HA 0.549 4.673 4.120 0.007 0.000 0.317 331 V C 1.466 177.759 176.094 0.332 0.000 1.074 331 V CA -0.002 62.553 62.300 0.426 0.000 1.033 331 V CB 1.093 33.151 31.823 0.392 0.000 1.111 331 V HN 1.071 nan 8.190 nan 0.000 0.458 332 K N -0.025 120.574 120.400 0.332 0.000 2.097 332 K HA -0.101 4.223 4.320 0.007 0.000 0.206 332 K C -0.042 176.688 176.600 0.218 0.000 1.049 332 K CA 2.120 58.553 56.287 0.242 0.000 0.933 332 K CB -0.046 32.575 32.500 0.202 0.000 0.717 332 K HN 0.958 nan 8.250 nan 0.000 0.442 333 D N 0.528 121.066 120.400 0.231 0.000 2.443 333 D HA 0.069 4.713 4.640 0.007 0.000 0.281 333 D C 0.015 176.460 176.300 0.241 0.000 1.210 333 D CA -0.207 53.918 54.000 0.209 0.000 0.875 333 D CB 1.457 42.361 40.800 0.173 0.000 1.125 333 D HN 0.026 nan 8.370 nan 0.000 0.503 334 E N 0.725 121.070 120.200 0.241 0.000 2.153 334 E HA -0.108 4.246 4.350 0.007 0.000 0.194 334 E C 2.123 178.908 176.600 0.308 0.000 0.988 334 E CA 0.765 57.341 56.400 0.294 0.000 0.811 334 E CB 0.040 29.860 29.700 0.199 0.000 0.746 334 E HN 0.548 nan 8.360 nan 0.000 0.466 335 G N 1.483 110.415 108.800 0.220 0.000 2.396 335 G HA2 -0.238 3.726 3.960 0.007 0.000 0.214 335 G HA3 -0.238 3.726 3.960 0.007 0.000 0.214 335 G C 1.792 176.882 174.900 0.317 0.000 1.166 335 G CA 1.251 46.483 45.100 0.220 0.000 0.793 335 G HN 0.395 nan 8.290 nan 0.000 0.533 336 S N 0.206 116.050 115.700 0.240 0.000 2.368 336 S HA -0.350 4.125 4.470 0.007 0.000 0.226 336 S C 2.109 176.762 174.600 0.088 0.000 1.044 336 S CA 1.698 60.010 58.200 0.187 0.000 1.062 336 S CB -1.118 62.071 63.200 -0.018 0.000 0.931 336 S HN 0.505 nan 8.310 nan 0.000 0.440 337 Y N 1.779 121.972 120.300 -0.179 0.000 2.102 337 Y HA -0.275 4.279 4.550 0.007 0.000 0.280 337 Y C 1.991 177.719 175.900 -0.286 0.000 1.178 337 Y CA 2.112 59.936 58.100 -0.460 0.000 1.146 337 Y CB -0.496 37.593 38.460 -0.618 0.000 0.968 337 Y HN 0.285 nan 8.280 nan 0.000 0.504 338 F N -0.396 119.678 119.950 0.206 0.000 2.365 338 F HA -0.183 4.348 4.527 0.007 0.000 0.300 338 F C 1.986 177.885 175.800 0.165 0.000 1.090 338 F CA 0.860 58.946 58.000 0.144 0.000 1.408 338 F CB -0.559 38.421 39.000 -0.033 0.000 1.060 338 F HN 0.055 nan 8.300 nan 0.000 0.534 339 L N -0.010 121.353 121.223 0.234 0.000 2.201 339 L HA -0.119 4.225 4.340 0.007 0.000 0.212 339 L C 2.171 179.166 176.870 0.209 0.000 1.105 339 L CA 0.869 55.705 54.840 -0.006 0.000 0.775 339 L CB -0.710 41.104 42.059 -0.407 0.000 0.913 339 L HN 0.180 nan 8.230 nan 0.000 0.440 340 V N -5.437 114.681 119.914 0.340 0.000 3.623 340 V HA -0.079 4.045 4.120 0.007 0.000 0.271 340 V C 0.965 177.186 176.094 0.212 0.000 1.248 340 V CA 0.538 63.056 62.300 0.363 0.000 1.156 340 V CB -0.963 31.089 31.823 0.381 0.000 0.870 340 V HN 0.302 nan 8.190 nan 0.000 0.453 341 Y N 0.971 121.416 120.300 0.242 0.000 2.696 341 Y HA 0.690 5.244 4.550 0.007 0.000 0.260 341 Y C 1.597 177.630 175.900 0.221 0.000 1.165 341 Y CA 0.268 58.507 58.100 0.233 0.000 1.189 341 Y CB 1.310 39.923 38.460 0.255 0.000 1.180 341 Y HN 0.358 nan 8.280 nan 0.000 0.538 342 G N -1.080 107.892 108.800 0.287 0.000 4.226 342 G HA2 -0.047 3.917 3.960 0.007 0.000 0.220 342 G HA3 -0.047 3.917 3.960 0.007 0.000 0.220 342 G C -0.825 174.173 174.900 0.162 0.000 0.817 342 G CA -0.368 44.853 45.100 0.202 0.000 0.879 342 G HN -0.074 nan 8.290 nan 0.000 0.669 343 V N 3.048 123.081 119.914 0.199 0.000 2.353 343 V HA 0.378 4.502 4.120 0.007 0.000 0.264 343 V C -2.065 174.229 176.094 0.334 0.000 1.049 343 V CA -1.621 60.816 62.300 0.229 0.000 0.896 343 V CB 1.114 33.018 31.823 0.136 0.000 1.025 343 V HN 0.047 nan 8.190 nan 0.000 0.475 344 P HA 0.299 nan 4.420 nan 0.000 0.264 344 P C 1.012 178.398 177.300 0.143 0.000 1.193 344 P CA 1.126 64.315 63.100 0.148 0.000 0.763 344 P CB 0.827 32.576 31.700 0.082 0.000 0.810 345 G N 1.950 110.775 108.800 0.042 0.000 2.541 345 G HA2 -0.177 3.787 3.960 0.007 0.000 0.201 345 G HA3 -0.177 3.787 3.960 0.007 0.000 0.201 345 G C -0.258 174.445 174.900 -0.328 0.000 1.026 345 G CA -0.590 44.390 45.100 -0.199 0.000 0.687 345 G HN 0.384 nan 8.290 nan 0.000 0.492 346 F N 1.881 121.842 119.950 0.019 0.000 2.385 346 F HA 0.808 5.339 4.527 0.007 0.000 0.336 346 F C 0.737 176.633 175.800 0.159 0.000 1.100 346 F CA 0.197 58.229 58.000 0.054 0.000 1.116 346 F CB 2.070 41.147 39.000 0.128 0.000 1.166 346 F HN 0.214 nan 8.300 nan 0.000 0.511 347 S N 0.839 116.784 115.700 0.409 0.000 2.588 347 S HA 0.308 4.782 4.470 0.007 0.000 0.269 347 S C 0.087 174.958 174.600 0.452 0.000 1.157 347 S CA -0.873 57.558 58.200 0.386 0.000 0.824 347 S CB 1.381 64.711 63.200 0.217 0.000 1.126 347 S HN 0.708 nan 8.310 nan 0.000 0.464 348 K N 0.513 121.015 120.400 0.169 0.000 2.418 348 K HA 0.229 4.553 4.320 0.007 0.000 0.195 348 K C -0.025 176.541 176.600 -0.056 0.000 1.035 348 K CA 0.775 57.054 56.287 -0.014 0.000 1.003 348 K CB -0.031 32.159 32.500 -0.516 0.000 0.793 348 K HN 0.378 nan 8.250 nan 0.000 0.494 349 D N 0.743 121.129 120.400 -0.023 0.000 2.379 349 D HA 0.010 4.654 4.640 0.007 0.000 0.208 349 D C -0.129 176.185 176.300 0.024 0.000 1.065 349 D CA 0.249 54.216 54.000 -0.054 0.000 0.848 349 D CB 0.157 40.905 40.800 -0.086 0.000 0.949 349 D HN 0.435 nan 8.370 nan 0.000 0.509 350 N N -0.633 118.120 118.700 0.088 0.000 3.091 350 N HA 0.132 4.876 4.740 0.007 0.000 0.329 350 N C 0.396 175.985 175.510 0.131 0.000 1.430 350 N CA -0.524 52.565 53.050 0.065 0.000 0.755 350 N CB 0.846 39.329 38.487 -0.006 0.000 1.626 350 N HN -0.398 nan 8.380 nan 0.000 0.614 351 E N -0.531 119.668 120.200 -0.002 0.000 2.489 351 E HA 0.074 4.428 4.350 0.007 0.000 0.193 351 E C -0.493 175.767 176.600 -0.566 0.000 1.057 351 E CA -0.024 56.319 56.400 -0.094 0.000 0.866 351 E CB -0.393 29.290 29.700 -0.028 0.000 0.916 351 E HN 0.578 nan 8.360 nan 0.000 0.500 352 S N 0.520 115.928 115.700 -0.486 0.000 3.631 352 S HA -0.191 4.283 4.470 0.007 0.000 0.366 352 S C 0.304 174.448 174.600 -0.760 0.000 0.993 352 S CA 0.226 57.992 58.200 -0.723 0.000 1.167 352 S CB -1.659 60.917 63.200 -1.040 0.000 0.909 352 S HN 0.322 nan 8.310 nan 0.000 0.478 353 L N 1.806 122.749 121.223 -0.468 0.000 2.325 353 L HA 0.419 4.764 4.340 0.007 0.000 0.284 353 L C 0.786 177.446 176.870 -0.350 0.000 1.089 353 L CA -0.239 54.386 54.840 -0.358 0.000 0.836 353 L CB 0.130 42.057 42.059 -0.219 0.000 1.184 353 L HN 0.456 nan 8.230 nan 0.000 0.444 354 I N 0.445 120.792 120.570 -0.372 0.000 3.062 354 I HA 0.643 4.818 4.170 0.007 0.000 0.316 354 I C 0.488 176.516 176.117 -0.149 0.000 1.041 354 I CA -0.622 60.497 61.300 -0.302 0.000 1.069 354 I CB 1.735 39.512 38.000 -0.371 0.000 1.300 354 I HN 0.495 nan 8.210 nan 0.000 0.518 355 S N 0.761 116.413 115.700 -0.080 0.000 2.651 355 S HA 0.423 4.897 4.470 0.007 0.000 0.291 355 S C 0.829 175.454 174.600 0.042 0.000 1.141 355 S CA -0.687 57.497 58.200 -0.027 0.000 1.027 355 S CB 1.790 64.980 63.200 -0.016 0.000 1.043 355 S HN 0.868 nan 8.310 nan 0.000 0.530 356 R N 0.875 121.399 120.500 0.041 0.000 2.117 356 R HA -0.163 4.181 4.340 0.007 0.000 0.243 356 R C 2.159 178.562 176.300 0.172 0.000 1.143 356 R CA 1.828 57.993 56.100 0.109 0.000 0.968 356 R CB -1.129 29.206 30.300 0.058 0.000 0.863 356 R HN 0.836 nan 8.270 nan 0.000 0.444 357 A N 0.803 123.683 122.820 0.101 0.000 1.851 357 A HA -0.254 4.070 4.320 0.007 0.000 0.216 357 A C 2.101 179.747 177.584 0.103 0.000 1.195 357 A CA 1.806 53.895 52.037 0.087 0.000 0.622 357 A CB -0.742 18.289 19.000 0.051 0.000 0.831 357 A HN 0.573 nan 8.150 nan 0.000 0.444 358 Q N -1.933 117.924 119.800 0.095 0.000 2.234 358 Q HA -0.170 4.174 4.340 0.007 0.000 0.206 358 Q C 1.851 177.968 176.000 0.194 0.000 0.980 358 Q CA 1.592 57.458 55.803 0.105 0.000 0.869 358 Q CB -0.299 28.462 28.738 0.038 0.000 0.912 358 Q HN 0.801 nan 8.270 nan 0.000 0.436 359 F N 0.763 120.749 119.950 0.061 0.000 2.074 359 F HA -0.176 4.355 4.527 0.006 0.000 0.293 359 F C 1.816 177.659 175.800 0.072 0.000 1.116 359 F CA 0.999 59.049 58.000 0.083 0.000 1.212 359 F CB -0.058 38.969 39.000 0.045 0.000 0.998 359 F HN -0.065 nan 8.300 nan 0.000 0.471 360 L N 0.500 121.735 121.223 0.019 0.000 2.043 360 L HA -0.298 4.046 4.340 0.007 0.000 0.212 360 L C 2.816 179.629 176.870 -0.094 0.000 1.075 360 L CA 1.373 56.162 54.840 -0.086 0.000 0.752 360 L CB -1.177 40.918 42.059 0.059 0.000 0.891 360 L HN 0.336 nan 8.230 nan 0.000 0.432 361 A N 0.087 122.896 122.820 -0.017 0.000 1.883 361 A HA -0.160 4.164 4.320 0.007 0.000 0.217 361 A C 2.414 179.987 177.584 -0.019 0.000 1.186 361 A CA 1.889 53.925 52.037 -0.001 0.000 0.624 361 A CB -1.378 17.644 19.000 0.037 0.000 0.822 361 A HN 0.456 nan 8.150 nan 0.000 0.444 362 G N -0.828 107.965 108.800 -0.011 0.000 2.422 362 G HA2 -0.060 3.904 3.960 0.007 0.000 0.218 362 G HA3 -0.060 3.904 3.960 0.007 0.000 0.218 362 G C 1.461 176.301 174.900 -0.100 0.000 1.140 362 G CA 1.114 46.212 45.100 -0.003 0.000 0.775 362 G HN 0.322 nan 8.290 nan 0.000 0.545 363 V N 1.027 120.803 119.914 -0.229 0.000 2.407 363 V HA -0.144 3.981 4.120 0.007 0.000 0.248 363 V C 2.964 179.002 176.094 -0.094 0.000 1.055 363 V CA 1.636 63.800 62.300 -0.227 0.000 1.049 363 V CB -0.361 31.235 31.823 -0.378 0.000 0.662 363 V HN 0.248 nan 8.190 nan 0.000 0.455 364 R N -0.095 120.363 120.500 -0.070 0.000 2.090 364 R HA 0.066 4.410 4.340 0.007 0.000 0.228 364 R C 2.099 178.390 176.300 -0.016 0.000 1.110 364 R CA 1.295 57.377 56.100 -0.030 0.000 0.973 364 R CB -0.745 29.542 30.300 -0.021 0.000 0.869 364 R HN 0.463 nan 8.270 nan 0.000 0.440 365 I N -0.058 120.503 120.570 -0.015 0.000 2.233 365 I HA -0.105 4.069 4.170 0.007 0.000 0.243 365 I C 2.402 178.521 176.117 0.004 0.000 1.093 365 I CA 1.498 62.798 61.300 0.001 0.000 1.380 365 I CB -0.800 37.211 38.000 0.018 0.000 1.067 365 I HN 0.201 nan 8.210 nan 0.000 0.413 366 G N 0.780 109.573 108.800 -0.012 0.000 2.422 366 G HA2 -0.106 3.858 3.960 0.007 0.000 0.218 366 G HA3 -0.106 3.858 3.960 0.007 0.000 0.218 366 G C 0.950 175.871 174.900 0.036 0.000 1.146 366 G CA 0.485 45.579 45.100 -0.009 0.000 0.769 366 G HN 0.261 nan 8.290 nan 0.000 0.547 367 V N 2.374 122.301 119.914 0.022 0.000 2.294 367 V HA 0.213 4.338 4.120 0.007 0.000 0.258 367 V C -1.360 174.752 176.094 0.030 0.000 1.080 367 V CA -1.112 61.205 62.300 0.027 0.000 1.128 367 V CB 1.337 33.154 31.823 -0.011 0.000 1.323 367 V HN 0.125 nan 8.190 nan 0.000 0.498 368 P HA -0.146 nan 4.420 nan 0.000 0.220 368 P C 1.146 178.456 177.300 0.017 0.000 1.148 368 P CA 1.023 64.133 63.100 0.017 0.000 0.803 368 P CB 0.555 32.261 31.700 0.010 0.000 0.782 369 Q N -0.434 119.388 119.800 0.036 0.000 2.482 369 Q HA 0.209 4.554 4.340 0.007 0.000 0.209 369 Q C 0.731 176.740 176.000 0.014 0.000 0.961 369 Q CA 0.061 55.880 55.803 0.026 0.000 0.945 369 Q CB -0.540 28.226 28.738 0.046 0.000 1.012 369 Q HN 0.186 nan 8.270 nan 0.000 0.515 370 A N 0.549 123.376 122.820 0.012 0.000 2.328 370 A HA 0.489 4.814 4.320 0.007 0.000 0.284 370 A C 0.272 177.857 177.584 0.001 0.000 1.160 370 A CA -0.503 51.537 52.037 0.004 0.000 0.818 370 A CB 0.343 19.350 19.000 0.011 0.000 1.087 370 A HN 0.331 nan 8.150 nan 0.000 0.504 371 S N 2.099 117.797 115.700 -0.004 0.000 2.596 371 S HA 0.099 4.573 4.470 0.007 0.000 0.260 371 S C 0.368 174.974 174.600 0.010 0.000 1.336 371 S CA 0.109 58.309 58.200 -0.001 0.000 0.993 371 S CB 0.393 63.588 63.200 -0.009 0.000 0.923 371 S HN 0.628 nan 8.310 nan 0.000 0.567 372 D N 0.246 120.654 120.400 0.014 0.000 2.116 372 D HA -0.105 4.539 4.640 0.007 0.000 0.193 372 D C 1.749 178.073 176.300 0.040 0.000 0.998 372 D CA 0.988 55.003 54.000 0.024 0.000 0.836 372 D CB -0.484 40.330 40.800 0.023 0.000 0.951 372 D HN 0.402 nan 8.370 nan 0.000 0.449 373 L N 0.825 122.071 121.223 0.037 0.000 2.012 373 L HA -0.119 4.225 4.340 0.007 0.000 0.210 373 L C 2.139 179.058 176.870 0.082 0.000 1.073 373 L CA 1.889 56.763 54.840 0.057 0.000 0.748 373 L CB -0.994 41.091 42.059 0.044 0.000 0.891 373 L HN 0.016 nan 8.230 nan 0.000 0.431 374 A N -0.686 122.165 122.820 0.052 0.000 1.883 374 A HA -0.161 4.164 4.320 0.007 0.000 0.217 374 A C 2.444 180.087 177.584 0.100 0.000 1.186 374 A CA 2.066 54.141 52.037 0.062 0.000 0.624 374 A CB -1.210 17.788 19.000 -0.003 0.000 0.822 374 A HN 0.568 nan 8.150 nan 0.000 0.444 375 A N -0.975 121.883 122.820 0.063 0.000 1.933 375 A HA -0.142 4.183 4.320 0.007 0.000 0.218 375 A C 2.024 179.651 177.584 0.072 0.000 1.175 375 A CA 1.724 53.791 52.037 0.050 0.000 0.628 375 A CB -0.386 18.627 19.000 0.021 0.000 0.814 375 A HN 0.445 nan 8.150 nan 0.000 0.444 376 E N -0.151 120.104 120.200 0.092 0.000 2.107 376 E HA -0.060 4.294 4.350 0.007 0.000 0.191 376 E C 2.347 179.037 176.600 0.150 0.000 0.982 376 E CA 1.054 57.526 56.400 0.119 0.000 0.809 376 E CB -0.401 29.363 29.700 0.107 0.000 0.756 376 E HN 0.530 nan 8.360 nan 0.000 0.459 377 A N 0.774 123.699 122.820 0.174 0.000 1.902 377 A HA -0.155 4.170 4.320 0.007 0.000 0.217 377 A C 2.582 180.179 177.584 0.021 0.000 1.181 377 A CA 1.545 53.700 52.037 0.196 0.000 0.623 377 A CB -0.731 18.546 19.000 0.462 0.000 0.818 377 A HN 0.143 nan 8.150 nan 0.000 0.443 378 V N -0.498 119.477 119.914 0.102 0.000 2.255 378 V HA -0.255 3.870 4.120 0.007 0.000 0.247 378 V C 2.553 178.768 176.094 0.202 0.000 1.051 378 V CA 2.148 64.471 62.300 0.038 0.000 1.018 378 V CB -0.832 31.064 31.823 0.122 0.000 0.641 378 V HN 0.371 nan 8.190 nan 0.000 0.445 379 V N -0.633 119.391 119.914 0.184 0.000 2.427 379 V HA -0.184 3.941 4.120 0.007 0.000 0.248 379 V C 2.357 178.687 176.094 0.394 0.000 1.051 379 V CA 1.350 63.837 62.300 0.311 0.000 1.048 379 V CB -0.394 31.559 31.823 0.216 0.000 0.666 379 V HN 0.391 nan 8.190 nan 0.000 0.456 380 L N -0.253 121.168 121.223 0.331 0.000 2.046 380 L HA -0.217 4.127 4.340 0.007 0.000 0.208 380 L C 2.396 179.481 176.870 0.358 0.000 1.077 380 L CA 2.555 57.658 54.840 0.438 0.000 0.747 380 L CB -1.223 40.975 42.059 0.231 0.000 0.896 380 L HN 0.541 nan 8.230 nan 0.000 0.432 381 H N -2.017 117.029 119.070 -0.039 0.000 2.436 381 H HA -0.144 4.416 4.556 0.005 0.000 0.294 381 H C 1.902 177.101 175.328 -0.215 0.000 1.048 381 H CA 1.521 57.397 56.048 -0.288 0.000 1.353 381 H CB 0.148 29.385 29.762 -0.875 0.000 1.414 381 H HN 0.228 nan 8.280 nan 0.000 0.536 382 Y N 0.000 120.442 120.300 0.237 0.000 2.503 382 Y HA 0.107 4.661 4.550 0.008 0.000 0.278 382 Y C 0.953 176.945 175.900 0.153 0.000 1.111 382 Y CA 0.384 58.654 58.100 0.283 0.000 1.270 382 Y CB 0.239 38.956 38.460 0.429 0.000 1.063 382 Y HN 0.014 nan 8.280 nan 0.000 0.548 383 T N 1.941 116.537 114.554 0.070 0.000 2.908 383 T HA -0.102 4.252 4.350 0.007 0.000 0.301 383 T C -0.208 174.170 174.700 -0.537 0.000 1.019 383 T CA 0.044 61.877 62.100 -0.445 0.000 1.152 383 T CB 0.008 68.136 68.868 -1.233 0.000 0.966 383 T HN 0.092 nan 8.240 nan 0.000 0.540 384 D N 2.419 122.477 120.400 -0.570 0.000 2.352 384 D HA 0.063 4.707 4.640 0.007 0.000 0.245 384 D C 0.042 176.059 176.300 -0.470 0.000 1.224 384 D CA -0.630 53.015 54.000 -0.592 0.000 0.879 384 D CB 0.358 40.545 40.800 -1.021 0.000 1.057 384 D HN 0.616 nan 8.370 nan 0.000 0.491 385 W N 3.331 124.545 121.300 -0.143 0.000 3.077 385 W HA 0.107 4.770 4.660 0.005 0.000 0.245 385 W C 1.835 178.259 176.519 -0.159 0.000 1.316 385 W CA -0.334 56.940 57.345 -0.119 0.000 1.537 385 W CB 0.047 29.450 29.460 -0.095 0.000 1.131 385 W HN 0.434 nan 8.180 nan 0.000 0.695 386 L N -1.287 119.883 121.223 -0.088 0.000 2.127 386 L HA -0.046 4.298 4.340 0.007 0.000 0.203 386 L C 0.374 176.927 176.870 -0.528 0.000 1.080 386 L CA 1.119 55.760 54.840 -0.331 0.000 0.768 386 L CB -0.161 41.632 42.059 -0.444 0.000 0.924 386 L HN -0.031 nan 8.230 nan 0.000 0.444 387 H N -1.463 117.513 119.070 -0.156 0.000 2.386 387 H HA 0.163 4.723 4.556 0.006 0.000 0.232 387 H C -1.860 173.340 175.328 -0.213 0.000 1.416 387 H CA -1.329 54.625 56.048 -0.155 0.000 1.285 387 H CB 0.304 29.970 29.762 -0.160 0.000 1.625 387 H HN 0.002 nan 8.280 nan 0.000 0.521 388 P HA -0.091 nan 4.420 nan 0.000 0.229 388 P C 0.776 177.973 177.300 -0.172 0.000 1.160 388 P CA 0.959 63.889 63.100 -0.282 0.000 0.777 388 P CB 0.739 32.269 31.700 -0.283 0.000 0.814 389 E N -0.291 119.865 120.200 -0.073 0.000 2.481 389 E HA 0.033 4.388 4.350 0.007 0.000 0.198 389 E C -0.091 176.484 176.600 -0.041 0.000 1.027 389 E CA 0.007 56.380 56.400 -0.046 0.000 0.900 389 E CB -0.161 29.530 29.700 -0.014 0.000 0.993 389 E HN 0.240 nan 8.360 nan 0.000 0.482 390 D N 2.035 122.420 120.400 -0.026 0.000 2.363 390 D HA 0.009 4.653 4.640 0.007 0.000 0.263 390 D C -1.681 174.590 176.300 -0.049 0.000 1.258 390 D CA -1.745 52.245 54.000 -0.016 0.000 0.907 390 D CB 1.319 42.126 40.800 0.012 0.000 1.107 390 D HN -0.151 nan 8.370 nan 0.000 0.495 391 P HA -0.105 nan 4.420 nan 0.000 0.218 391 P C 1.160 178.381 177.300 -0.132 0.000 1.149 391 P CA 0.962 63.992 63.100 -0.116 0.000 0.817 391 P CB 0.259 31.885 31.700 -0.122 0.000 0.785 392 T N -1.776 112.723 114.554 -0.091 0.000 2.737 392 T HA -0.182 4.172 4.350 0.007 0.000 0.265 392 T C 1.744 176.408 174.700 -0.061 0.000 1.038 392 T CA 1.587 63.641 62.100 -0.077 0.000 1.144 392 T CB -1.022 67.821 68.868 -0.041 0.000 0.866 392 T HN 0.254 nan 8.240 nan 0.000 0.434 393 H N 0.782 119.786 119.070 -0.111 0.000 2.387 393 H HA 0.089 4.648 4.556 0.006 0.000 0.299 393 H C 1.937 177.173 175.328 -0.154 0.000 1.090 393 H CA 1.258 57.240 56.048 -0.109 0.000 1.332 393 H CB -0.436 29.247 29.762 -0.132 0.000 1.386 393 H HN 0.252 nan 8.280 nan 0.000 0.516 394 L N -0.126 120.901 121.223 -0.328 0.000 2.072 394 L HA -0.092 4.252 4.340 0.007 0.000 0.205 394 L C 2.891 179.655 176.870 -0.175 0.000 1.079 394 L CA 1.158 55.707 54.840 -0.486 0.000 0.752 394 L CB -0.455 41.386 42.059 -0.364 0.000 0.906 394 L HN 0.247 nan 8.230 nan 0.000 0.436 395 R N 0.703 121.151 120.500 -0.087 0.000 2.080 395 R HA -0.213 4.132 4.340 0.007 0.000 0.236 395 R C 1.632 178.015 176.300 0.139 0.000 1.137 395 R CA 2.362 58.509 56.100 0.079 0.000 0.943 395 R CB -0.479 29.697 30.300 -0.207 0.000 0.846 395 R HN 0.326 nan 8.270 nan 0.000 0.431 396 D N 0.287 120.686 120.400 -0.001 0.000 2.178 396 D HA -0.062 4.582 4.640 0.007 0.000 0.202 396 D C 1.771 178.081 176.300 0.017 0.000 0.974 396 D CA 1.388 55.422 54.000 0.057 0.000 0.841 396 D CB -0.266 40.555 40.800 0.036 0.000 0.953 396 D HN 0.390 nan 8.370 nan 0.000 0.478 397 A N 0.688 123.401 122.820 -0.179 0.000 1.902 397 A HA -0.183 4.141 4.320 0.007 0.000 0.217 397 A C 2.151 179.821 177.584 0.143 0.000 1.181 397 A CA 1.675 53.686 52.037 -0.043 0.000 0.623 397 A CB -0.518 18.299 19.000 -0.305 0.000 0.818 397 A HN 0.160 nan 8.150 nan 0.000 0.443 398 M N -0.185 119.570 119.600 0.258 0.000 2.117 398 M HA -0.090 4.395 4.480 0.007 0.000 0.262 398 M C 2.296 178.613 176.300 0.029 0.000 1.065 398 M CA 2.074 57.508 55.300 0.223 0.000 1.114 398 M CB -0.617 32.178 32.600 0.326 0.000 1.361 398 M HN 0.398 nan 8.290 nan 0.000 0.408 399 S N -0.258 115.495 115.700 0.088 0.000 2.359 399 S HA -0.177 4.297 4.470 0.007 0.000 0.222 399 S C 2.066 176.712 174.600 0.077 0.000 1.038 399 S CA 1.904 60.179 58.200 0.124 0.000 1.051 399 S CB -0.766 62.587 63.200 0.256 0.000 0.944 399 S HN 0.659 nan 8.310 nan 0.000 0.433 400 A N 0.821 123.698 122.820 0.094 0.000 1.892 400 A HA -0.070 4.254 4.320 0.007 0.000 0.218 400 A C 2.379 179.936 177.584 -0.045 0.000 1.188 400 A CA 2.060 54.170 52.037 0.122 0.000 0.631 400 A CB -1.248 17.931 19.000 0.299 0.000 0.822 400 A HN 0.476 nan 8.150 nan 0.000 0.447 401 V N -0.502 119.217 119.914 -0.326 0.000 2.255 401 V HA -0.262 3.863 4.120 0.007 0.000 0.247 401 V C 2.571 178.522 176.094 -0.238 0.000 1.051 401 V CA 2.167 64.214 62.300 -0.421 0.000 1.018 401 V CB -0.863 30.738 31.823 -0.370 0.000 0.641 401 V HN 0.383 nan 8.190 nan 0.000 0.445 402 V N 0.664 120.476 119.914 -0.169 0.000 2.427 402 V HA -0.144 3.981 4.120 0.007 0.000 0.248 402 V C 2.555 178.480 176.094 -0.282 0.000 1.051 402 V CA 2.130 64.317 62.300 -0.188 0.000 1.048 402 V CB -1.232 30.542 31.823 -0.081 0.000 0.666 402 V HN 0.622 nan 8.190 nan 0.000 0.456 403 G N -0.549 108.161 108.800 -0.151 0.000 2.394 403 G HA2 -0.196 3.768 3.960 0.007 0.000 0.215 403 G HA3 -0.196 3.768 3.960 0.007 0.000 0.215 403 G C 1.213 175.984 174.900 -0.214 0.000 1.165 403 G CA 0.851 45.874 45.100 -0.128 0.000 0.784 403 G HN 0.488 nan 8.290 nan 0.000 0.535 404 D N -0.274 120.014 120.400 -0.187 0.000 2.117 404 D HA -0.079 4.565 4.640 0.007 0.000 0.198 404 D C 2.105 178.044 176.300 -0.602 0.000 0.982 404 D CA 1.153 55.019 54.000 -0.224 0.000 0.828 404 D CB -0.358 40.474 40.800 0.053 0.000 0.967 404 D HN 0.401 nan 8.370 nan 0.000 0.464 405 H N 0.585 119.025 119.070 -1.050 0.000 2.395 405 H HA 0.078 4.637 4.556 0.006 0.000 0.299 405 H C 1.339 176.210 175.328 -0.760 0.000 1.070 405 H CA 1.474 56.696 56.048 -1.378 0.000 1.356 405 H CB 0.090 28.904 29.762 -1.580 0.000 1.401 405 H HN 0.002 nan 8.280 nan 0.000 0.524 406 N N -0.769 117.400 118.700 -0.886 0.000 2.388 406 N HA 0.029 4.774 4.740 0.007 0.000 0.176 406 N C 1.045 176.256 175.510 -0.499 0.000 1.062 406 N CA 0.946 53.427 53.050 -0.947 0.000 0.895 406 N CB 1.364 38.604 38.487 -2.078 0.000 1.018 406 N HN 0.264 nan 8.380 nan 0.000 0.456 407 V N -0.477 119.193 119.914 -0.408 0.000 3.278 407 V HA 0.066 4.190 4.120 0.007 0.000 0.215 407 V C 2.160 178.185 176.094 -0.115 0.000 1.287 407 V CA 0.176 62.392 62.300 -0.140 0.000 1.302 407 V CB -0.128 31.676 31.823 -0.032 0.000 1.228 407 V HN -0.186 nan 8.190 nan 0.000 0.523 408 V N 0.380 120.221 119.914 -0.120 0.000 2.237 408 V HA -0.300 3.824 4.120 0.007 0.000 0.245 408 V C 2.591 178.629 176.094 -0.093 0.000 1.046 408 V CA 2.688 64.939 62.300 -0.080 0.000 1.007 408 V CB -0.858 30.950 31.823 -0.025 0.000 0.638 408 V HN 0.680 nan 8.190 nan 0.000 0.445 409 c N -0.051 118.490 118.600 -0.100 0.000 2.413 409 c HA -0.065 4.509 4.570 0.007 0.000 0.276 409 c C 0.613 174.661 174.090 -0.069 0.000 1.248 409 c CA 1.228 57.532 56.329 -0.042 0.000 1.742 409 c CB -2.133 40.397 42.510 0.033 0.000 2.017 409 c HN 0.477 nan 8.230 nan 0.000 0.481 410 P HA -0.071 nan 4.420 nan 0.000 0.215 410 P C 1.777 179.004 177.300 -0.121 0.000 1.153 410 P CA 1.320 64.341 63.100 -0.133 0.000 0.853 410 P CB -0.188 31.400 31.700 -0.186 0.000 0.788 411 V N 0.223 120.064 119.914 -0.122 0.000 2.332 411 V HA -0.289 3.835 4.120 0.007 0.000 0.248 411 V C 2.468 178.444 176.094 -0.197 0.000 1.055 411 V CA 2.325 64.535 62.300 -0.151 0.000 1.038 411 V CB -1.736 29.995 31.823 -0.153 0.000 0.651 411 V HN 0.110 nan 8.190 nan 0.000 0.450 412 A N -0.502 122.221 122.820 -0.162 0.000 1.877 412 A HA -0.328 3.996 4.320 0.007 0.000 0.216 412 A C 2.198 179.735 177.584 -0.079 0.000 1.186 412 A CA 2.293 54.244 52.037 -0.143 0.000 0.620 412 A CB -0.593 18.387 19.000 -0.035 0.000 0.822 412 A HN 0.568 nan 8.150 nan 0.000 0.443 413 Q N -0.713 119.059 119.800 -0.047 0.000 2.084 413 Q HA -0.137 4.207 4.340 0.007 0.000 0.202 413 Q C 1.877 177.850 176.000 -0.045 0.000 0.978 413 Q CA 1.840 57.633 55.803 -0.018 0.000 0.844 413 Q CB -0.383 28.341 28.738 -0.023 0.000 0.898 413 Q HN 0.587 nan 8.270 nan 0.000 0.426 414 L N -0.245 120.919 121.223 -0.099 0.000 2.044 414 L HA 0.051 4.396 4.340 0.007 0.000 0.205 414 L C 2.137 178.928 176.870 -0.131 0.000 1.075 414 L CA 1.988 56.753 54.840 -0.125 0.000 0.747 414 L CB -0.822 41.150 42.059 -0.145 0.000 0.903 414 L HN 0.241 nan 8.230 nan 0.000 0.435 415 A N -0.323 122.383 122.820 -0.189 0.000 1.902 415 A HA -0.047 4.277 4.320 0.007 0.000 0.217 415 A C 2.285 179.897 177.584 0.046 0.000 1.181 415 A CA 1.528 53.429 52.037 -0.227 0.000 0.623 415 A CB -1.680 16.894 19.000 -0.711 0.000 0.818 415 A HN 0.548 nan 8.150 nan 0.000 0.443 416 G N -0.222 108.654 108.800 0.125 0.000 2.587 416 G HA2 -0.280 3.684 3.960 0.007 0.000 0.217 416 G HA3 -0.280 3.684 3.960 0.007 0.000 0.217 416 G C 1.648 176.639 174.900 0.151 0.000 1.240 416 G CA 0.999 46.267 45.100 0.280 0.000 0.794 416 G HN 0.396 nan 8.290 nan 0.000 0.580 417 R N -0.224 120.322 120.500 0.076 0.000 2.091 417 R HA 0.014 4.358 4.340 0.007 0.000 0.238 417 R C 2.605 178.951 176.300 0.077 0.000 1.136 417 R CA 0.572 56.717 56.100 0.075 0.000 0.959 417 R CB -1.293 29.040 30.300 0.055 0.000 0.856 417 R HN 0.340 nan 8.270 nan 0.000 0.437 418 L N 0.558 121.767 121.223 -0.023 0.000 1.989 418 L HA -0.122 4.223 4.340 0.007 0.000 0.211 418 L C 2.449 179.365 176.870 0.076 0.000 1.071 418 L CA 2.109 56.891 54.840 -0.097 0.000 0.749 418 L CB -1.221 40.702 42.059 -0.226 0.000 0.890 418 L HN 0.173 nan 8.230 nan 0.000 0.431 419 A N -0.839 122.047 122.820 0.110 0.000 1.865 419 A HA -0.215 4.109 4.320 0.007 0.000 0.217 419 A C 2.488 180.136 177.584 0.107 0.000 1.191 419 A CA 2.190 54.301 52.037 0.123 0.000 0.623 419 A CB -1.173 17.928 19.000 0.167 0.000 0.826 419 A HN 0.444 nan 8.150 nan 0.000 0.444 420 A N -1.119 121.766 122.820 0.109 0.000 1.940 420 A HA -0.253 4.072 4.320 0.007 0.000 0.221 420 A C 1.849 179.498 177.584 0.108 0.000 1.190 420 A CA 2.107 54.200 52.037 0.093 0.000 0.647 420 A CB -0.483 18.573 19.000 0.094 0.000 0.821 420 A HN 0.570 nan 8.150 nan 0.000 0.457 421 Q N -1.324 118.578 119.800 0.170 0.000 2.296 421 Q HA 0.416 4.761 4.340 0.007 0.000 0.273 421 Q C 0.730 176.851 176.000 0.202 0.000 0.900 421 Q CA 0.603 56.524 55.803 0.197 0.000 0.993 421 Q CB -0.091 28.831 28.738 0.308 0.000 1.132 421 Q HN 0.882 nan 8.270 nan 0.000 0.439 422 G N -0.366 108.519 108.800 0.142 0.000 2.221 422 G HA2 -0.264 3.700 3.960 0.007 0.000 0.265 422 G HA3 -0.264 3.700 3.960 0.007 0.000 0.265 422 G C 0.091 175.076 174.900 0.142 0.000 1.041 422 G CA 0.153 45.319 45.100 0.110 0.000 0.807 422 G HN 0.581 nan 8.290 nan 0.000 0.502 423 A N -0.575 122.351 122.820 0.177 0.000 2.295 423 A HA 0.848 5.172 4.320 0.007 0.000 0.318 423 A C 0.569 178.216 177.584 0.105 0.000 1.134 423 A CA -0.073 52.063 52.037 0.166 0.000 0.827 423 A CB 0.646 19.739 19.000 0.155 0.000 1.136 423 A HN 0.901 nan 8.150 nan 0.000 0.493 424 R N 1.526 122.091 120.500 0.107 0.000 2.202 424 R HA 0.500 4.844 4.340 0.007 0.000 0.334 424 R C -1.600 174.745 176.300 0.075 0.000 1.036 424 R CA -0.053 56.089 56.100 0.071 0.000 0.878 424 R CB 0.376 30.746 30.300 0.117 0.000 1.067 424 R HN 0.415 nan 8.270 nan 0.000 0.457 425 V N 6.247 126.131 119.914 -0.050 0.000 2.409 425 V HA 0.352 4.476 4.120 0.007 0.000 0.291 425 V C -0.965 175.013 176.094 -0.194 0.000 1.020 425 V CA -0.774 61.516 62.300 -0.017 0.000 0.848 425 V CB 1.057 32.922 31.823 0.071 0.000 0.990 425 V HN 0.647 nan 8.190 nan 0.000 0.430 426 Y N 2.495 122.781 120.300 -0.023 0.000 2.361 426 Y HA 0.789 5.344 4.550 0.007 0.000 0.332 426 Y C 0.447 176.468 175.900 0.202 0.000 1.101 426 Y CA -0.524 57.571 58.100 -0.010 0.000 1.137 426 Y CB 2.007 40.084 38.460 -0.638 0.000 1.207 426 Y HN 0.736 nan 8.280 nan 0.000 0.463 427 A N 3.038 126.293 122.820 0.725 0.000 2.414 427 A HA 0.827 5.151 4.320 0.007 0.000 0.306 427 A C -1.877 176.123 177.584 0.693 0.000 1.054 427 A CA -0.692 51.624 52.037 0.466 0.000 0.724 427 A CB 0.955 20.079 19.000 0.206 0.000 1.267 427 A HN 0.751 nan 8.150 nan 0.000 0.418 428 Y N -0.316 120.238 120.300 0.423 0.000 2.615 428 Y HA 0.805 5.358 4.550 0.005 0.000 0.341 428 Y C -1.179 174.894 175.900 0.289 0.000 1.089 428 Y CA -1.610 56.674 58.100 0.307 0.000 1.049 428 Y CB 1.349 39.987 38.460 0.297 0.000 1.296 428 Y HN 0.741 nan 8.280 nan 0.000 0.470 429 I N 3.115 123.980 120.570 0.491 0.000 2.498 429 I HA 0.495 4.669 4.170 0.007 0.000 0.290 429 I C -1.933 174.529 176.117 0.575 0.000 1.032 429 I CA -1.056 60.490 61.300 0.410 0.000 1.073 429 I CB 1.269 39.451 38.000 0.304 0.000 1.251 429 I HN 0.729 nan 8.210 nan 0.000 0.426 430 F N 7.549 127.799 119.950 0.500 0.000 2.371 430 F HA 0.425 4.956 4.527 0.008 0.000 0.363 430 F C 0.407 176.373 175.800 0.277 0.000 1.122 430 F CA -0.102 58.144 58.000 0.410 0.000 1.129 430 F CB 0.845 40.117 39.000 0.454 0.000 1.173 430 F HN 0.542 nan 8.300 nan 0.000 0.489 431 E N 3.639 123.804 120.200 -0.058 0.000 2.558 431 E HA -0.017 4.337 4.350 0.007 0.000 0.205 431 E C -0.762 175.785 176.600 -0.088 0.000 1.006 431 E CA -0.144 56.271 56.400 0.025 0.000 0.961 431 E CB 0.143 29.856 29.700 0.023 0.000 1.044 431 E HN 0.526 nan 8.360 nan 0.000 0.465 432 H N 1.134 119.935 119.070 -0.448 0.000 2.488 432 H HA 0.263 4.822 4.556 0.006 0.000 0.322 432 H C -0.564 174.780 175.328 0.027 0.000 1.078 432 H CA -0.633 55.176 56.048 -0.399 0.000 1.260 432 H CB 0.618 29.842 29.762 -0.897 0.000 1.425 432 H HN -0.149 nan 8.280 nan 0.000 0.471 433 R N 4.122 124.240 120.500 -0.636 0.000 2.216 433 R HA 0.471 4.815 4.340 0.007 0.000 0.332 433 R C -0.471 175.509 176.300 -0.532 0.000 1.056 433 R CA -0.572 55.319 56.100 -0.348 0.000 0.901 433 R CB 0.214 30.415 30.300 -0.165 0.000 1.039 433 R HN 0.843 nan 8.270 nan 0.000 0.456 434 A N 3.330 126.182 122.820 0.055 0.000 2.591 434 A HA -0.070 4.254 4.320 0.007 0.000 0.244 434 A C 1.371 179.048 177.584 0.154 0.000 1.031 434 A CA 0.815 53.121 52.037 0.449 0.000 0.767 434 A CB 0.119 19.479 19.000 0.598 0.000 0.942 434 A HN 1.030 nan 8.150 nan 0.000 0.514 435 S N 1.811 117.643 115.700 0.220 0.000 2.442 435 S HA -0.165 4.310 4.470 0.007 0.000 0.236 435 S C 1.500 176.081 174.600 -0.032 0.000 1.007 435 S CA 1.594 59.847 58.200 0.088 0.000 0.965 435 S CB -0.795 62.490 63.200 0.142 0.000 0.773 435 S HN 1.399 nan 8.310 nan 0.000 0.504 436 T N -0.888 113.594 114.554 -0.120 0.000 3.129 436 T HA 0.286 4.641 4.350 0.007 0.000 0.251 436 T C 0.466 175.068 174.700 -0.163 0.000 1.117 436 T CA -0.457 61.495 62.100 -0.246 0.000 1.034 436 T CB -0.560 67.979 68.868 -0.549 0.000 0.968 436 T HN 0.242 nan 8.240 nan 0.000 0.526 437 L N 3.621 124.795 121.223 -0.082 0.000 2.485 437 L HA 0.279 4.624 4.340 0.007 0.000 0.275 437 L C 1.624 178.414 176.870 -0.134 0.000 1.207 437 L CA 0.931 55.711 54.840 -0.101 0.000 0.855 437 L CB 1.004 43.025 42.059 -0.065 0.000 1.114 437 L HN 0.450 nan 8.230 nan 0.000 0.485 438 T N -1.205 113.213 114.554 -0.226 0.000 2.990 438 T HA 0.111 4.465 4.350 0.007 0.000 0.250 438 T C 0.436 175.101 174.700 -0.057 0.000 1.041 438 T CA -0.466 61.520 62.100 -0.190 0.000 1.010 438 T CB -0.366 68.285 68.868 -0.361 0.000 1.003 438 T HN 0.398 nan 8.240 nan 0.000 0.499 439 W N 3.609 124.911 121.300 0.003 0.000 2.123 439 W HA 0.350 5.014 4.660 0.008 0.000 0.351 439 W C -2.005 174.396 176.519 -0.197 0.000 1.292 439 W CA -1.924 55.362 57.345 -0.097 0.000 1.263 439 W CB 0.045 29.340 29.460 -0.275 0.000 1.165 439 W HN 0.033 nan 8.180 nan 0.000 0.590 440 P HA 0.055 nan 4.420 nan 0.000 0.274 440 P C 0.326 177.551 177.300 -0.124 0.000 1.246 440 P CA -0.147 62.906 63.100 -0.078 0.000 0.795 440 P CB 0.832 32.501 31.700 -0.051 0.000 1.006 441 L N 0.057 121.276 121.223 -0.007 0.000 2.191 441 L HA -0.119 4.225 4.340 0.007 0.000 0.212 441 L C 2.568 179.474 176.870 0.060 0.000 1.103 441 L CA 1.509 56.363 54.840 0.023 0.000 0.769 441 L CB -1.038 41.059 42.059 0.065 0.000 0.908 441 L HN 0.592 nan 8.230 nan 0.000 0.438 442 W N -0.370 120.971 121.300 0.068 0.000 2.338 442 W HA -0.240 4.424 4.660 0.006 0.000 0.304 442 W C 1.897 178.471 176.519 0.092 0.000 1.212 442 W CA 0.938 58.329 57.345 0.077 0.000 1.264 442 W CB -1.004 28.503 29.460 0.079 0.000 1.142 442 W HN 0.141 nan 8.180 nan 0.000 0.512 443 M N 1.583 120.773 119.600 -0.683 0.000 2.530 443 M HA 0.030 4.515 4.480 0.007 0.000 0.261 443 M C 1.766 177.961 176.300 -0.176 0.000 1.067 443 M CA 1.887 56.784 55.300 -0.672 0.000 1.071 443 M CB -1.289 30.777 32.600 -0.889 0.000 1.405 443 M HN 0.317 nan 8.290 nan 0.000 0.478 444 G N 0.547 109.309 108.800 -0.063 0.000 2.556 444 G HA2 -0.287 3.677 3.960 0.007 0.000 0.283 444 G HA3 -0.287 3.677 3.960 0.007 0.000 0.283 444 G C -0.176 174.744 174.900 0.033 0.000 1.177 444 G CA -0.187 44.933 45.100 0.033 0.000 0.978 444 G HN 0.249 nan 8.290 nan 0.000 0.554 445 V N 4.035 124.015 119.914 0.111 0.000 2.288 445 V HA 0.464 4.588 4.120 0.007 0.000 0.266 445 V C -1.663 174.572 176.094 0.236 0.000 1.048 445 V CA -0.636 61.782 62.300 0.195 0.000 0.842 445 V CB 1.036 33.038 31.823 0.298 0.000 1.064 445 V HN 0.573 nan 8.190 nan 0.000 0.472 446 P HA 0.214 nan 4.420 nan 0.000 0.278 446 P C -0.281 177.289 177.300 0.451 0.000 1.266 446 P CA -0.654 62.603 63.100 0.262 0.000 0.807 446 P CB 0.429 32.160 31.700 0.052 0.000 1.094 447 H N 0.192 119.408 119.070 0.243 0.000 3.167 447 H HA 0.238 4.798 4.556 0.006 0.000 0.306 447 H C 1.553 176.858 175.328 -0.039 0.000 0.965 447 H CA 2.382 58.496 56.048 0.111 0.000 1.408 447 H CB -0.756 29.053 29.762 0.078 0.000 1.406 447 H HN 0.767 nan 8.280 nan 0.000 0.576 448 G N 3.579 112.161 108.800 -0.364 0.000 2.176 448 G HA2 -0.304 3.660 3.960 0.007 0.000 0.253 448 G HA3 -0.304 3.660 3.960 0.007 0.000 0.253 448 G C 0.366 175.163 174.900 -0.172 0.000 0.979 448 G CA 0.403 45.262 45.100 -0.401 0.000 0.641 448 G HN 0.663 nan 8.290 nan 0.000 0.530 449 Y N 0.903 121.310 120.300 0.178 0.000 2.708 449 Y HA 0.321 4.874 4.550 0.006 0.000 0.287 449 Y C 1.959 177.933 175.900 0.124 0.000 1.145 449 Y CA 0.481 58.735 58.100 0.257 0.000 1.249 449 Y CB 0.583 39.244 38.460 0.335 0.000 1.152 449 Y HN 0.444 nan 8.280 nan 0.000 0.532 450 E N -0.504 119.618 120.200 -0.131 0.000 2.465 450 E HA 0.019 4.373 4.350 0.007 0.000 0.209 450 E C 1.468 177.936 176.600 -0.221 0.000 0.951 450 E CA 0.399 56.335 56.400 -0.773 0.000 0.997 450 E CB -0.360 28.449 29.700 -1.485 0.000 1.025 450 E HN 0.533 nan 8.360 nan 0.000 0.500 451 I N 3.027 123.577 120.570 -0.034 0.000 2.208 451 I HA -0.294 3.880 4.170 0.007 0.000 0.245 451 I C 2.704 178.823 176.117 0.003 0.000 1.097 451 I CA 2.179 63.503 61.300 0.041 0.000 1.363 451 I CB -0.355 37.709 38.000 0.106 0.000 1.051 451 I HN 0.214 nan 8.210 nan 0.000 0.413 452 E N 0.990 121.144 120.200 -0.077 0.000 2.204 452 E HA -0.198 4.156 4.350 0.007 0.000 0.194 452 E C 2.048 178.424 176.600 -0.374 0.000 0.989 452 E CA 1.237 57.490 56.400 -0.245 0.000 0.824 452 E CB -0.435 29.092 29.700 -0.287 0.000 0.756 452 E HN 0.425 nan 8.360 nan 0.000 0.477 453 F N 1.673 121.522 119.950 -0.168 0.000 2.074 453 F HA -0.090 4.443 4.527 0.010 0.000 0.293 453 F C 2.415 178.003 175.800 -0.354 0.000 1.116 453 F CA 0.635 58.480 58.000 -0.258 0.000 1.212 453 F CB -0.320 38.624 39.000 -0.093 0.000 0.998 453 F HN -0.072 nan 8.300 nan 0.000 0.471 454 I N -0.459 119.976 120.570 -0.225 0.000 2.229 454 I HA -0.330 3.844 4.170 0.007 0.000 0.250 454 I C 2.109 178.001 176.117 -0.375 0.000 1.096 454 I CA 1.740 62.730 61.300 -0.517 0.000 1.358 454 I CB -1.640 35.975 38.000 -0.641 0.000 1.047 454 I HN 0.086 nan 8.210 nan 0.000 0.422 455 F N 0.538 120.318 119.950 -0.284 0.000 2.789 455 F HA 0.273 4.804 4.527 0.007 0.000 0.300 455 F C 1.928 177.642 175.800 -0.144 0.000 1.132 455 F CA 0.753 58.641 58.000 -0.186 0.000 1.404 455 F CB -0.258 38.617 39.000 -0.209 0.000 1.114 455 F HN 0.284 nan 8.300 nan 0.000 0.584 456 G N 0.134 108.801 108.800 -0.222 0.000 2.137 456 G HA2 -0.311 3.653 3.960 0.007 0.000 0.237 456 G HA3 -0.311 3.653 3.960 0.007 0.000 0.237 456 G C 1.080 175.349 174.900 -1.051 0.000 1.002 456 G CA 0.380 45.192 45.100 -0.480 0.000 0.702 456 G HN 0.327 nan 8.290 nan 0.000 0.515 457 L N 0.506 121.222 121.223 -0.845 0.000 2.043 457 L HA -0.034 4.311 4.340 0.007 0.000 0.212 457 L C 0.706 176.956 176.870 -1.032 0.000 1.075 457 L CA 3.094 57.373 54.840 -0.935 0.000 0.752 457 L CB -0.967 40.792 42.059 -0.500 0.000 0.891 457 L HN 0.253 nan 8.230 nan 0.000 0.432 458 P HA -0.203 nan 4.420 nan 0.000 0.217 458 P C 1.811 178.813 177.300 -0.497 0.000 1.151 458 P CA 1.142 63.583 63.100 -1.098 0.000 0.849 458 P CB -0.031 31.119 31.700 -0.917 0.000 0.787 459 L N -1.033 119.855 121.223 -0.558 0.000 2.270 459 L HA -0.162 4.182 4.340 0.007 0.000 0.217 459 L C 1.060 177.756 176.870 -0.291 0.000 1.107 459 L CA 1.388 55.995 54.840 -0.389 0.000 0.772 459 L CB -1.370 40.442 42.059 -0.412 0.000 0.902 459 L HN 0.015 nan 8.230 nan 0.000 0.439 460 D N 0.140 120.308 120.400 -0.386 0.000 2.344 460 D HA 0.042 4.687 4.640 0.007 0.000 0.253 460 D C -1.420 174.863 176.300 -0.028 0.000 1.255 460 D CA -1.973 51.966 54.000 -0.103 0.000 0.894 460 D CB 1.251 42.046 40.800 -0.009 0.000 1.067 460 D HN 0.026 nan 8.370 nan 0.000 0.492 461 P HA -0.160 nan 4.420 nan 0.000 0.217 461 P C 1.108 178.418 177.300 0.017 0.000 1.150 461 P CA 0.823 63.930 63.100 0.011 0.000 0.832 461 P CB -0.017 31.689 31.700 0.009 0.000 0.787 462 S N -1.067 114.642 115.700 0.016 0.000 2.723 462 S HA -0.004 4.470 4.470 0.007 0.000 0.231 462 S C 1.441 176.041 174.600 -0.000 0.000 0.967 462 S CA 0.298 58.501 58.200 0.005 0.000 0.958 462 S CB -1.431 61.772 63.200 0.005 0.000 0.778 462 S HN 0.118 nan 8.310 nan 0.000 0.537 463 L N 0.151 121.390 121.223 0.026 0.000 2.808 463 L HA 0.328 4.673 4.340 0.007 0.000 0.246 463 L C 0.267 177.089 176.870 -0.081 0.000 1.153 463 L CA -0.256 54.594 54.840 0.016 0.000 0.956 463 L CB -0.303 41.845 42.059 0.148 0.000 1.270 463 L HN 0.196 nan 8.230 nan 0.000 0.528 464 N N -1.854 116.823 118.700 -0.039 0.000 2.909 464 N HA -0.242 4.502 4.740 0.007 0.000 0.242 464 N C -0.189 175.262 175.510 -0.099 0.000 0.975 464 N CA 0.990 53.988 53.050 -0.087 0.000 0.921 464 N CB -1.680 36.724 38.487 -0.139 0.000 1.112 464 N HN 0.285 nan 8.380 nan 0.000 0.581 465 Y N 1.463 121.742 120.300 -0.035 0.000 2.550 465 Y HA 0.094 4.648 4.550 0.007 0.000 0.343 465 Y C 2.022 177.943 175.900 0.036 0.000 1.245 465 Y CA 0.564 58.672 58.100 0.013 0.000 1.462 465 Y CB 0.351 38.799 38.460 -0.019 0.000 1.340 465 Y HN 0.092 nan 8.280 nan 0.000 0.604 466 T N -2.444 112.254 114.554 0.240 0.000 2.766 466 T HA 0.041 4.395 4.350 0.007 0.000 0.295 466 T C 1.158 175.943 174.700 0.142 0.000 1.024 466 T CA -0.311 61.880 62.100 0.151 0.000 1.018 466 T CB 0.875 69.827 68.868 0.140 0.000 1.002 466 T HN 0.723 nan 8.240 nan 0.000 0.532 467 T N 1.259 115.864 114.554 0.085 0.000 2.788 467 T HA -0.080 4.274 4.350 0.007 0.000 0.268 467 T C 1.784 176.524 174.700 0.066 0.000 1.044 467 T CA 1.846 63.983 62.100 0.061 0.000 1.139 467 T CB -0.420 68.470 68.868 0.037 0.000 0.867 467 T HN 0.781 nan 8.240 nan 0.000 0.454 468 E N 1.307 121.543 120.200 0.061 0.000 2.110 468 E HA -0.091 4.263 4.350 0.007 0.000 0.193 468 E C 2.152 178.811 176.600 0.098 0.000 0.988 468 E CA 0.905 57.327 56.400 0.037 0.000 0.804 468 E CB -0.200 29.482 29.700 -0.030 0.000 0.745 468 E HN 0.564 nan 8.360 nan 0.000 0.458 469 E N 0.402 120.714 120.200 0.187 0.000 2.153 469 E HA -0.165 4.189 4.350 0.007 0.000 0.194 469 E C 2.087 178.844 176.600 0.262 0.000 0.988 469 E CA 0.618 57.258 56.400 0.401 0.000 0.811 469 E CB -0.033 30.062 29.700 0.657 0.000 0.746 469 E HN 0.117 nan 8.360 nan 0.000 0.466 470 R N 0.595 121.164 120.500 0.116 0.000 2.075 470 R HA -0.137 4.208 4.340 0.007 0.000 0.232 470 R C 2.122 178.432 176.300 0.017 0.000 1.126 470 R CA 1.069 57.171 56.100 0.003 0.000 0.963 470 R CB -0.095 30.193 30.300 -0.020 0.000 0.858 470 R HN 0.076 nan 8.270 nan 0.000 0.435 471 I N 0.208 120.812 120.570 0.057 0.000 2.252 471 I HA -0.242 3.932 4.170 0.007 0.000 0.245 471 I C 2.017 178.180 176.117 0.076 0.000 1.102 471 I CA 1.025 62.351 61.300 0.043 0.000 1.385 471 I CB -0.358 37.666 38.000 0.039 0.000 1.064 471 I HN 0.178 nan 8.210 nan 0.000 0.414 472 F N 1.601 121.521 119.950 -0.050 0.000 2.134 472 F HA -0.204 4.326 4.527 0.006 0.000 0.299 472 F C 2.409 178.212 175.800 0.003 0.000 1.097 472 F CA 1.246 59.209 58.000 -0.061 0.000 1.264 472 F CB -0.840 38.070 39.000 -0.150 0.000 1.001 472 F HN 0.046 nan 8.300 nan 0.000 0.479 473 A N 0.795 123.545 122.820 -0.116 0.000 1.892 473 A HA -0.272 4.053 4.320 0.007 0.000 0.218 473 A C 2.146 179.590 177.584 -0.233 0.000 1.188 473 A CA 2.083 53.987 52.037 -0.222 0.000 0.631 473 A CB -1.004 17.875 19.000 -0.200 0.000 0.822 473 A HN 0.663 nan 8.150 nan 0.000 0.447 474 Q N -0.932 118.774 119.800 -0.157 0.000 2.170 474 Q HA -0.168 4.176 4.340 0.007 0.000 0.203 474 Q C 2.254 178.150 176.000 -0.174 0.000 0.976 474 Q CA 1.343 57.063 55.803 -0.138 0.000 0.858 474 Q CB -0.273 28.411 28.738 -0.091 0.000 0.907 474 Q HN 0.690 nan 8.270 nan 0.000 0.433 475 R N 0.884 121.267 120.500 -0.194 0.000 2.066 475 R HA -0.051 4.293 4.340 0.007 0.000 0.232 475 R C 2.352 178.390 176.300 -0.436 0.000 1.131 475 R CA 0.940 56.849 56.100 -0.317 0.000 0.955 475 R CB -0.091 30.112 30.300 -0.161 0.000 0.851 475 R HN 0.227 nan 8.270 nan 0.000 0.432 476 L N -0.096 120.970 121.223 -0.262 0.000 2.056 476 L HA -0.172 4.173 4.340 0.007 0.000 0.207 476 L C 2.545 179.404 176.870 -0.019 0.000 1.078 476 L CA 1.283 56.078 54.840 -0.075 0.000 0.749 476 L CB -0.300 41.534 42.059 -0.375 0.000 0.901 476 L HN 0.287 nan 8.230 nan 0.000 0.433 477 M N -0.740 118.768 119.600 -0.155 0.000 2.149 477 M HA -0.209 4.275 4.480 0.007 0.000 0.261 477 M C 2.321 178.624 176.300 0.004 0.000 1.064 477 M CA 1.585 56.829 55.300 -0.093 0.000 1.102 477 M CB -0.332 32.189 32.600 -0.133 0.000 1.369 477 M HN 0.086 nan 8.290 nan 0.000 0.408 478 K N 0.010 120.368 120.400 -0.071 0.000 1.991 478 K HA -0.165 4.159 4.320 0.007 0.000 0.212 478 K C 1.920 178.570 176.600 0.084 0.000 1.049 478 K CA 1.828 58.078 56.287 -0.061 0.000 0.932 478 K CB -0.695 31.696 32.500 -0.182 0.000 0.717 478 K HN 0.295 nan 8.250 nan 0.000 0.441 479 Y N 0.149 120.595 120.300 0.242 0.000 2.040 479 Y HA -0.281 4.275 4.550 0.010 0.000 0.275 479 Y C 2.508 178.546 175.900 0.231 0.000 1.171 479 Y CA 0.971 59.253 58.100 0.303 0.000 1.123 479 Y CB -1.026 37.804 38.460 0.616 0.000 0.963 479 Y HN 0.270 nan 8.280 nan 0.000 0.493 480 W N 0.670 122.057 121.300 0.146 0.000 2.332 480 W HA -0.276 4.387 4.660 0.005 0.000 0.321 480 W C 2.635 179.158 176.519 0.007 0.000 1.219 480 W CA 2.598 59.960 57.345 0.028 0.000 1.277 480 W CB -0.849 28.554 29.460 -0.095 0.000 1.161 480 W HN 0.264 nan 8.180 nan 0.000 0.476 481 T N -1.750 112.908 114.554 0.173 0.000 2.867 481 T HA -0.171 4.183 4.350 0.007 0.000 0.268 481 T C 1.415 176.133 174.700 0.029 0.000 1.057 481 T CA 1.369 63.499 62.100 0.049 0.000 1.136 481 T CB -0.643 68.235 68.868 0.017 0.000 0.874 481 T HN -0.044 nan 8.240 nan 0.000 0.466 482 N N 1.157 119.891 118.700 0.057 0.000 2.069 482 N HA -0.037 4.708 4.740 0.007 0.000 0.191 482 N C 1.409 176.891 175.510 -0.048 0.000 1.031 482 N CA 1.276 54.333 53.050 0.013 0.000 0.852 482 N CB -0.747 37.769 38.487 0.049 0.000 1.018 482 N HN 0.530 nan 8.380 nan 0.000 0.423 483 F N 1.613 121.456 119.950 -0.178 0.000 2.171 483 F HA -0.068 4.463 4.527 0.007 0.000 0.300 483 F C 2.146 177.843 175.800 -0.171 0.000 1.090 483 F CA 1.278 59.112 58.000 -0.277 0.000 1.293 483 F CB -0.342 38.389 39.000 -0.448 0.000 1.013 483 F HN 0.033 nan 8.300 nan 0.000 0.486 484 A N 0.711 123.438 122.820 -0.154 0.000 1.877 484 A HA -0.209 4.115 4.320 0.007 0.000 0.216 484 A C 2.425 179.884 177.584 -0.209 0.000 1.186 484 A CA 1.792 53.728 52.037 -0.168 0.000 0.620 484 A CB -0.899 18.077 19.000 -0.041 0.000 0.822 484 A HN 0.457 nan 8.150 nan 0.000 0.443 485 R N -1.126 119.284 120.500 -0.150 0.000 2.081 485 R HA -0.113 4.231 4.340 0.007 0.000 0.235 485 R C 1.869 178.074 176.300 -0.158 0.000 1.131 485 R CA 1.979 58.008 56.100 -0.118 0.000 0.960 485 R CB -0.087 30.169 30.300 -0.072 0.000 0.856 485 R HN 0.708 nan 8.270 nan 0.000 0.436 486 T N -5.980 108.445 114.554 -0.214 0.000 3.041 486 T HA 0.214 4.569 4.350 0.007 0.000 0.276 486 T C 0.921 175.463 174.700 -0.263 0.000 0.948 486 T CA 0.472 62.458 62.100 -0.190 0.000 0.885 486 T CB 1.226 70.021 68.868 -0.122 0.000 1.175 486 T HN 0.314 nan 8.240 nan 0.000 0.529 487 G N 1.398 109.892 108.800 -0.511 0.000 2.143 487 G HA2 -0.165 3.799 3.960 0.007 0.000 0.248 487 G HA3 -0.165 3.799 3.960 0.007 0.000 0.248 487 G C -0.342 174.387 174.900 -0.284 0.000 0.991 487 G CA 0.246 44.959 45.100 -0.645 0.000 0.689 487 G HN 0.850 nan 8.290 nan 0.000 0.522 488 D N -0.864 119.361 120.400 -0.291 0.000 2.478 488 D HA 0.440 5.085 4.640 0.007 0.000 0.240 488 D C -1.093 175.005 176.300 -0.336 0.000 1.364 488 D CA -1.653 52.138 54.000 -0.350 0.000 0.987 488 D CB 1.740 42.468 40.800 -0.120 0.000 1.328 488 D HN -0.014 nan 8.370 nan 0.000 0.584 489 P HA -0.083 nan 4.420 nan 0.000 0.228 489 P C -0.049 177.296 177.300 0.075 0.000 1.151 489 P CA 0.244 63.175 63.100 -0.282 0.000 0.770 489 P CB 0.278 31.464 31.700 -0.857 0.000 0.786 490 N N 1.604 120.297 118.700 -0.011 0.000 2.518 490 N HA 0.012 4.756 4.740 0.007 0.000 0.266 490 N C 0.132 175.718 175.510 0.126 0.000 1.196 490 N CA 0.299 53.445 53.050 0.160 0.000 0.947 490 N CB 0.307 38.874 38.487 0.134 0.000 1.098 490 N HN 0.011 nan 8.380 nan 0.000 0.450 491 D N 2.280 122.773 120.400 0.155 0.000 2.358 491 D HA 0.082 4.726 4.640 0.007 0.000 0.258 491 D C -1.459 174.884 176.300 0.072 0.000 1.223 491 D CA -1.504 52.550 54.000 0.091 0.000 0.886 491 D CB 1.147 41.995 40.800 0.080 0.000 1.120 491 D HN 0.261 nan 8.370 nan 0.000 0.482 492 P HA -0.096 nan 4.420 nan 0.000 0.216 492 P C 1.359 178.683 177.300 0.040 0.000 1.153 492 P CA 0.756 63.879 63.100 0.039 0.000 0.848 492 P CB 0.446 32.158 31.700 0.021 0.000 0.787 493 R N 0.377 120.899 120.500 0.036 0.000 2.104 493 R HA -0.046 4.298 4.340 0.007 0.000 0.208 493 R C 0.730 177.056 176.300 0.044 0.000 1.168 493 R CA 0.634 56.754 56.100 0.034 0.000 0.950 493 R CB -1.212 29.104 30.300 0.026 0.000 0.778 493 R HN 0.069 nan 8.270 nan 0.000 0.482 494 D N 0.868 121.295 120.400 0.044 0.000 3.061 494 D HA -0.103 4.541 4.640 0.007 0.000 0.226 494 D C -0.358 175.983 176.300 0.069 0.000 1.168 494 D CA 0.954 54.984 54.000 0.051 0.000 0.822 494 D CB 0.456 41.285 40.800 0.048 0.000 1.152 494 D HN 0.504 nan 8.370 nan 0.000 0.555 495 S N 1.294 117.033 115.700 0.064 0.000 2.817 495 S HA 0.134 4.608 4.470 0.007 0.000 0.262 495 S C 1.705 176.345 174.600 0.067 0.000 1.051 495 S CA 0.151 58.395 58.200 0.074 0.000 1.185 495 S CB 0.467 63.708 63.200 0.068 0.000 1.152 495 S HN 0.522 nan 8.310 nan 0.000 0.653 496 K N 2.459 122.893 120.400 0.056 0.000 2.020 496 K HA 0.116 4.440 4.320 0.007 0.000 0.212 496 K C 1.117 177.753 176.600 0.060 0.000 1.050 496 K CA 1.887 58.204 56.287 0.050 0.000 0.929 496 K CB -1.561 30.963 32.500 0.040 0.000 0.714 496 K HN 0.553 nan 8.250 nan 0.000 0.443 497 S N 2.284 118.028 115.700 0.073 0.000 2.552 497 S HA 0.293 4.767 4.470 0.007 0.000 0.289 497 S C -2.268 172.402 174.600 0.117 0.000 1.304 497 S CA -0.889 57.369 58.200 0.098 0.000 1.063 497 S CB 0.917 64.189 63.200 0.120 0.000 0.848 497 S HN 0.445 nan 8.310 nan 0.000 0.499 498 P HA 0.178 nan 4.420 nan 0.000 0.275 498 P C -0.430 176.966 177.300 0.159 0.000 1.228 498 P CA -0.514 62.652 63.100 0.111 0.000 0.786 498 P CB 0.426 32.172 31.700 0.077 0.000 0.927 499 Q N 0.691 120.586 119.800 0.160 0.000 2.354 499 Q HA 0.109 4.453 4.340 0.007 0.000 0.244 499 Q C -0.583 175.587 176.000 0.282 0.000 0.969 499 Q CA 0.272 56.209 55.803 0.222 0.000 0.885 499 Q CB 0.547 29.401 28.738 0.193 0.000 1.241 499 Q HN 0.575 nan 8.270 nan 0.000 0.461 500 W N 5.918 127.295 121.300 0.130 0.000 2.295 500 W HA 0.313 4.977 4.660 0.007 0.000 0.333 500 W C -2.499 174.194 176.519 0.290 0.000 0.990 500 W CA -2.713 54.725 57.345 0.155 0.000 1.453 500 W CB 0.446 29.946 29.460 0.068 0.000 1.263 500 W HN 0.384 nan 8.180 nan 0.000 0.380 501 P HA 0.161 nan 4.420 nan 0.000 0.272 501 P C -2.541 174.912 177.300 0.254 0.000 1.223 501 P CA -1.382 61.917 63.100 0.331 0.000 0.784 501 P CB 0.486 32.302 31.700 0.195 0.000 0.923 502 P HA 0.007 nan 4.420 nan 0.000 0.266 502 P C -0.505 176.760 177.300 -0.058 0.000 1.195 502 P CA 0.244 63.059 63.100 -0.474 0.000 0.768 502 P CB -0.019 31.427 31.700 -0.423 0.000 0.838 503 Y N 3.430 123.671 120.300 -0.099 0.000 2.496 503 Y HA 0.236 4.793 4.550 0.011 0.000 0.334 503 Y C 0.370 176.263 175.900 -0.012 0.000 1.080 503 Y CA 0.458 58.574 58.100 0.027 0.000 1.355 503 Y CB -0.019 38.484 38.460 0.072 0.000 1.193 503 Y HN 0.346 nan 8.280 nan 0.000 0.523 504 T N 0.581 114.893 114.554 -0.404 0.000 2.912 504 T HA 0.222 4.577 4.350 0.007 0.000 0.288 504 T C 1.124 175.517 174.700 -0.512 0.000 1.030 504 T CA -0.199 61.705 62.100 -0.327 0.000 1.020 504 T CB 1.410 70.182 68.868 -0.160 0.000 1.056 504 T HN 0.691 nan 8.240 nan 0.000 0.480 505 T N -0.442 113.960 114.554 -0.254 0.000 2.759 505 T HA -0.102 4.252 4.350 0.007 0.000 0.269 505 T C 2.207 176.824 174.700 -0.139 0.000 1.042 505 T CA 1.160 63.160 62.100 -0.166 0.000 1.140 505 T CB -0.870 67.978 68.868 -0.033 0.000 0.864 505 T HN 0.838 nan 8.240 nan 0.000 0.455 506 A N 1.487 124.239 122.820 -0.114 0.000 1.872 506 A HA 0.533 4.858 4.320 0.007 0.000 0.214 506 A C 2.679 180.214 177.584 -0.081 0.000 1.187 506 A CA 1.610 53.604 52.037 -0.071 0.000 0.614 506 A CB -1.096 17.877 19.000 -0.045 0.000 0.826 506 A HN 0.801 nan 8.150 nan 0.000 0.442 507 A N -2.187 120.560 122.820 -0.122 0.000 2.085 507 A HA 0.273 4.597 4.320 0.007 0.000 0.208 507 A C 0.948 178.464 177.584 -0.114 0.000 1.191 507 A CA 0.805 52.789 52.037 -0.088 0.000 0.799 507 A CB -0.197 18.768 19.000 -0.058 0.000 0.877 507 A HN 0.514 nan 8.150 nan 0.000 0.473 508 Q N -0.183 119.425 119.800 -0.320 0.000 2.453 508 Q HA -0.231 4.113 4.340 0.007 0.000 0.294 508 Q C -0.629 175.434 176.000 0.106 0.000 1.295 508 Q CA 0.664 56.224 55.803 -0.404 0.000 0.853 508 Q CB -1.795 26.918 28.738 -0.041 0.000 1.193 508 Q HN 0.828 nan 8.270 nan 0.000 0.461 509 Q N 0.266 120.112 119.800 0.078 0.000 2.293 509 Q HA 0.504 4.848 4.340 0.007 0.000 0.251 509 Q C -0.447 175.822 176.000 0.448 0.000 0.930 509 Q CA -0.009 55.910 55.803 0.194 0.000 0.893 509 Q CB 0.630 29.426 28.738 0.096 0.000 1.215 509 Q HN 0.349 nan 8.270 nan 0.000 0.425 510 Y N -1.976 118.454 120.300 0.216 0.000 2.624 510 Y HA 0.645 5.208 4.550 0.020 0.000 0.334 510 Y C -1.233 174.668 175.900 0.002 0.000 1.155 510 Y CA -1.553 56.666 58.100 0.199 0.000 1.046 510 Y CB 0.439 39.022 38.460 0.205 0.000 1.316 510 Y HN 0.364 nan 8.280 nan 0.000 0.457 511 V N -0.029 119.792 119.914 -0.155 0.000 2.732 511 V HA 0.865 4.990 4.120 0.007 0.000 0.310 511 V C -0.048 175.951 176.094 -0.158 0.000 1.053 511 V CA -0.424 61.638 62.300 -0.397 0.000 0.957 511 V CB 1.284 32.584 31.823 -0.872 0.000 1.018 511 V HN 1.191 nan 8.190 nan 0.000 0.452 512 S N 3.581 119.195 115.700 -0.144 0.000 2.525 512 S HA 0.707 5.182 4.470 0.007 0.000 0.278 512 S C -0.473 174.085 174.600 -0.071 0.000 1.234 512 S CA -0.710 57.479 58.200 -0.018 0.000 1.058 512 S CB 0.742 63.927 63.200 -0.026 0.000 0.983 512 S HN 0.767 nan 8.310 nan 0.000 0.495 513 L N 3.618 124.839 121.223 -0.003 0.000 2.313 513 L HA 0.451 4.796 4.340 0.007 0.000 0.273 513 L C -0.471 176.235 176.870 -0.273 0.000 1.028 513 L CA -0.574 54.262 54.840 -0.007 0.000 0.871 513 L CB -0.049 42.102 42.059 0.153 0.000 1.242 513 L HN 0.777 nan 8.230 nan 0.000 0.434 514 N N 1.935 120.420 118.700 -0.358 0.000 3.100 514 N HA 0.521 5.265 4.740 0.007 0.000 0.344 514 N C 0.649 175.560 175.510 -0.998 0.000 1.413 514 N CA -1.022 51.642 53.050 -0.643 0.000 0.752 514 N CB 0.862 39.151 38.487 -0.331 0.000 1.519 514 N HN 0.163 nan 8.380 nan 0.000 0.620 515 L N -0.859 119.821 121.223 -0.905 0.000 2.156 515 L HA 0.058 4.403 4.340 0.007 0.000 0.208 515 L C 0.528 177.207 176.870 -0.318 0.000 1.095 515 L CA 0.992 55.414 54.840 -0.697 0.000 0.770 515 L CB -0.429 41.312 42.059 -0.531 0.000 0.914 515 L HN 0.399 nan 8.230 nan 0.000 0.439 516 K N 0.331 120.584 120.400 -0.244 0.000 2.380 516 K HA 0.089 4.413 4.320 0.007 0.000 0.267 516 K C -2.147 174.407 176.600 -0.078 0.000 0.990 516 K CA -1.470 54.741 56.287 -0.126 0.000 0.946 516 K CB -0.048 32.390 32.500 -0.102 0.000 0.937 516 K HN -0.174 nan 8.250 nan 0.000 0.491 517 P HA -0.077 nan 4.420 nan 0.000 0.269 517 P C -0.477 176.830 177.300 0.011 0.000 1.217 517 P CA -0.019 63.097 63.100 0.026 0.000 0.783 517 P CB 0.368 32.085 31.700 0.028 0.000 0.898 518 L N 1.605 122.855 121.223 0.045 0.000 2.700 518 L HA -0.096 4.249 4.340 0.007 0.000 0.276 518 L C 1.158 177.995 176.870 -0.054 0.000 1.200 518 L CA 1.025 55.846 54.840 -0.032 0.000 0.951 518 L CB -0.487 41.551 42.059 -0.034 0.000 1.226 518 L HN 0.439 nan 8.230 nan 0.000 0.489 519 E N 3.142 123.287 120.200 -0.092 0.000 2.175 519 E HA 0.319 4.673 4.350 0.007 0.000 0.278 519 E C -1.124 175.386 176.600 -0.150 0.000 0.969 519 E CA -0.681 55.663 56.400 -0.092 0.000 0.796 519 E CB 2.046 31.698 29.700 -0.080 0.000 1.104 519 E HN 0.274 nan 8.360 nan 0.000 0.395 520 V N 5.813 125.647 119.914 -0.133 0.000 2.406 520 V HA 0.348 4.472 4.120 0.007 0.000 0.272 520 V C 0.364 176.315 176.094 -0.238 0.000 1.043 520 V CA -0.309 61.885 62.300 -0.176 0.000 0.915 520 V CB 1.024 32.800 31.823 -0.080 0.000 0.988 520 V HN 0.582 nan 8.190 nan 0.000 0.466 521 R N 4.503 124.718 120.500 -0.475 0.000 2.873 521 R HA 0.730 5.074 4.340 0.007 0.000 0.264 521 R C -0.850 175.174 176.300 -0.458 0.000 1.026 521 R CA -1.045 54.742 56.100 -0.522 0.000 1.002 521 R CB 2.259 32.132 30.300 -0.711 0.000 1.174 521 R HN 0.554 nan 8.270 nan 0.000 0.488 522 R N 0.142 120.576 120.500 -0.111 0.000 2.480 522 R HA 0.438 4.782 4.340 0.007 0.000 0.306 522 R C -0.501 175.994 176.300 0.325 0.000 0.958 522 R CA -0.572 55.595 56.100 0.112 0.000 0.861 522 R CB 2.083 32.419 30.300 0.061 0.000 1.171 522 R HN 0.941 nan 8.270 nan 0.000 0.445 523 G N 3.083 112.168 108.800 0.476 0.000 3.292 523 G HA2 -0.185 3.779 3.960 0.007 0.000 0.636 523 G HA3 -0.185 3.779 3.960 0.007 0.000 0.636 523 G C -0.608 174.509 174.900 0.362 0.000 1.069 523 G CA -1.015 44.313 45.100 0.380 0.000 0.890 523 G HN 0.344 nan 8.290 nan 0.000 0.427 524 L N 3.950 125.255 121.223 0.137 0.000 2.678 524 L HA 0.188 4.532 4.340 0.007 0.000 0.276 524 L C 1.792 178.686 176.870 0.041 0.000 1.142 524 L CA 0.407 55.156 54.840 -0.152 0.000 0.961 524 L CB -0.438 41.478 42.059 -0.238 0.000 1.291 524 L HN 0.738 nan 8.230 nan 0.000 0.476 525 R N 2.631 123.188 120.500 0.094 0.000 3.034 525 R HA -0.277 4.067 4.340 0.007 0.000 0.237 525 R C 1.438 177.842 176.300 0.173 0.000 0.861 525 R CA 0.694 56.889 56.100 0.158 0.000 0.588 525 R CB -1.857 28.552 30.300 0.181 0.000 1.035 525 R HN 0.722 nan 8.270 nan 0.000 0.488 526 A N 0.615 123.538 122.820 0.172 0.000 1.917 526 A HA -0.300 4.024 4.320 0.007 0.000 0.219 526 A C 2.133 179.819 177.584 0.168 0.000 1.182 526 A CA 1.841 53.978 52.037 0.167 0.000 0.633 526 A CB -0.161 18.933 19.000 0.156 0.000 0.819 526 A HN 0.471 nan 8.150 nan 0.000 0.448 527 Q N -0.985 118.917 119.800 0.169 0.000 2.020 527 Q HA -0.058 4.286 4.340 0.007 0.000 0.198 527 Q C 2.202 178.343 176.000 0.235 0.000 0.974 527 Q CA 2.334 58.240 55.803 0.173 0.000 0.829 527 Q CB -0.757 28.066 28.738 0.143 0.000 0.894 527 Q HN 0.581 nan 8.270 nan 0.000 0.433 528 T N -0.620 114.091 114.554 0.262 0.000 2.867 528 T HA -0.123 4.231 4.350 0.007 0.000 0.268 528 T C 1.838 176.740 174.700 0.336 0.000 1.057 528 T CA 1.243 63.490 62.100 0.245 0.000 1.136 528 T CB -0.434 68.611 68.868 0.295 0.000 0.874 528 T HN 0.348 nan 8.240 nan 0.000 0.466 529 c N 1.596 120.394 118.600 0.331 0.000 2.448 529 c HA 0.231 4.805 4.570 0.007 0.000 0.280 529 c C 3.108 177.355 174.090 0.262 0.000 1.398 529 c CA -0.034 56.499 56.329 0.341 0.000 1.774 529 c CB -1.423 41.221 42.510 0.223 0.000 1.888 529 c HN 0.640 nan 8.230 nan 0.000 0.519 530 A N 0.318 123.267 122.820 0.215 0.000 1.933 530 A HA -0.211 4.113 4.320 0.007 0.000 0.218 530 A C 1.873 179.559 177.584 0.170 0.000 1.175 530 A CA 1.685 53.825 52.037 0.172 0.000 0.628 530 A CB -0.785 18.309 19.000 0.156 0.000 0.814 530 A HN 0.561 nan 8.150 nan 0.000 0.444 531 F N -1.034 118.926 119.950 0.016 0.000 2.134 531 F HA -0.144 4.386 4.527 0.005 0.000 0.299 531 F C 1.893 177.644 175.800 -0.081 0.000 1.097 531 F CA 1.591 59.519 58.000 -0.120 0.000 1.264 531 F CB -0.458 38.231 39.000 -0.517 0.000 1.001 531 F HN 0.380 nan 8.300 nan 0.000 0.479 532 W N 0.385 121.607 121.300 -0.128 0.000 2.481 532 W HA -0.054 4.609 4.660 0.004 0.000 0.293 532 W C 2.124 178.562 176.519 -0.135 0.000 1.201 532 W CA 0.730 57.959 57.345 -0.194 0.000 1.328 532 W CB -0.410 29.086 29.460 0.060 0.000 1.112 532 W HN -0.085 nan 8.180 nan 0.000 0.546 533 N N -0.192 118.619 118.700 0.186 0.000 2.395 533 N HA 0.029 4.773 4.740 0.007 0.000 0.175 533 N C 1.433 176.972 175.510 0.048 0.000 1.029 533 N CA 0.914 54.027 53.050 0.104 0.000 0.897 533 N CB -0.204 38.346 38.487 0.106 0.000 0.991 533 N HN 0.231 nan 8.380 nan 0.000 0.441 534 R N -1.336 119.193 120.500 0.049 0.000 2.194 534 R HA 0.244 4.588 4.340 0.007 0.000 0.194 534 R C 1.383 177.706 176.300 0.039 0.000 0.985 534 R CA 0.012 56.142 56.100 0.051 0.000 1.104 534 R CB -0.170 30.186 30.300 0.092 0.000 1.092 534 R HN 0.026 nan 8.270 nan 0.000 0.555 535 F N 1.664 121.519 119.950 -0.159 0.000 2.147 535 F HA 0.054 4.585 4.527 0.007 0.000 0.291 535 F C 1.957 177.584 175.800 -0.288 0.000 1.093 535 F CA 0.875 58.757 58.000 -0.197 0.000 1.263 535 F CB -0.219 38.682 39.000 -0.166 0.000 1.036 535 F HN -0.130 nan 8.300 nan 0.000 0.481 536 L N 1.232 122.135 121.223 -0.533 0.000 2.079 536 L HA -0.118 4.227 4.340 0.007 0.000 0.210 536 L C -0.759 175.894 176.870 -0.361 0.000 1.081 536 L CA 2.015 56.512 54.840 -0.571 0.000 0.752 536 L CB -2.064 39.619 42.059 -0.626 0.000 0.896 536 L HN 0.075 nan 8.230 nan 0.000 0.433 537 P HA -0.197 nan 4.420 nan 0.000 0.214 537 P C 1.438 178.609 177.300 -0.214 0.000 1.163 537 P CA 1.695 64.696 63.100 -0.165 0.000 0.889 537 P CB -0.048 31.590 31.700 -0.103 0.000 0.790 538 K N -1.110 119.118 120.400 -0.285 0.000 2.147 538 K HA -0.120 4.204 4.320 0.007 0.000 0.205 538 K C 1.875 178.257 176.600 -0.364 0.000 1.049 538 K CA 0.890 57.000 56.287 -0.295 0.000 0.936 538 K CB -0.755 31.581 32.500 -0.272 0.000 0.722 538 K HN 0.067 nan 8.250 nan 0.000 0.446 539 L N 1.509 122.411 121.223 -0.534 0.000 2.201 539 L HA -0.091 4.254 4.340 0.007 0.000 0.212 539 L C 1.963 178.707 176.870 -0.211 0.000 1.105 539 L CA 1.102 55.700 54.840 -0.404 0.000 0.775 539 L CB -0.473 41.312 42.059 -0.457 0.000 0.913 539 L HN 0.158 nan 8.230 nan 0.000 0.440 540 L N -1.554 119.558 121.223 -0.184 0.000 2.005 540 L HA -0.035 4.310 4.340 0.007 0.000 0.207 540 L C 1.511 178.325 176.870 -0.094 0.000 1.072 540 L CA 1.338 56.111 54.840 -0.111 0.000 0.744 540 L CB -1.041 40.966 42.059 -0.088 0.000 0.895 540 L HN 0.028 nan 8.230 nan 0.000 0.433 541 S N 1.972 117.610 115.700 -0.104 0.000 3.911 541 S HA 0.486 4.960 4.470 0.007 0.000 0.188 541 S C 0.304 174.858 174.600 -0.077 0.000 1.147 541 S CA 0.355 58.506 58.200 -0.081 0.000 0.961 541 S CB -1.896 61.257 63.200 -0.079 0.000 1.582 541 S HN 0.951 nan 8.310 nan 0.000 0.458 542 A N 0.000 122.781 122.820 -0.065 0.000 2.254 542 A HA 0.000 4.324 4.320 0.007 0.000 0.244 542 A CA 0.000 52.006 52.037 -0.051 0.000 0.836 542 A CB 0.000 18.973 19.000 -0.046 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486