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 2jgm_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 GEXAGAASVG 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 0.000 176.615 176.600 0.025 0.000 1.382 1 E CA 0.000 56.418 56.400 0.031 0.000 0.976 1 E CB 0.000 29.721 29.700 0.034 0.000 0.812 2 G N 1.883 110.695 108.800 0.021 0.000 4.430 2 G HA2 -0.446 3.517 3.960 0.006 0.000 0.332 2 G HA3 -0.446 3.517 3.960 0.006 0.000 0.332 2 G C 1.244 176.155 174.900 0.018 0.000 1.338 2 G CA 1.203 46.314 45.100 0.017 0.000 1.024 2 G HN 0.271 nan 8.290 nan 0.000 0.750 3 R N 1.966 122.476 120.500 0.018 0.000 2.297 3 R HA 0.387 4.730 4.340 0.006 0.000 0.197 3 R C 1.116 177.428 176.300 0.021 0.000 0.943 3 R CA 0.646 56.756 56.100 0.017 0.000 1.038 3 R CB 0.056 30.364 30.300 0.013 0.000 0.957 3 R HN 0.673 nan 8.270 nan 0.000 0.484 4 E N 0.619 120.834 120.200 0.026 0.000 2.409 4 E HA -0.048 4.305 4.350 0.006 0.000 0.257 4 E C -0.535 176.089 176.600 0.040 0.000 1.150 4 E CA -0.179 56.240 56.400 0.031 0.000 0.942 4 E CB 0.390 30.113 29.700 0.038 0.000 0.979 4 E HN -0.006 nan 8.360 nan 0.000 0.447 5 D N 2.079 122.510 120.400 0.051 0.000 2.412 5 D HA -0.025 4.618 4.640 0.006 0.000 0.257 5 D C -1.578 174.766 176.300 0.074 0.000 1.217 5 D CA -1.613 52.432 54.000 0.075 0.000 0.897 5 D CB 0.854 41.718 40.800 0.106 0.000 1.132 5 D HN 0.132 nan 8.370 nan 0.000 0.493 6 P HA -0.141 nan 4.420 nan 0.000 0.226 6 P C 0.949 178.273 177.300 0.040 0.000 1.153 6 P CA 0.603 63.728 63.100 0.042 0.000 0.777 6 P CB 0.449 32.161 31.700 0.021 0.000 0.794 7 Q N -0.325 119.497 119.800 0.036 0.000 2.444 7 Q HA 0.104 4.447 4.340 0.006 0.000 0.206 7 Q C 1.382 177.456 176.000 0.124 0.000 0.948 7 Q CA 0.683 56.477 55.803 -0.015 0.000 0.946 7 Q CB -0.633 27.946 28.738 -0.266 0.000 1.027 7 Q HN 0.262 nan 8.270 nan 0.000 0.513 8 L N -0.273 121.051 121.223 0.168 0.000 3.184 8 L HA 0.346 4.689 4.340 0.006 0.000 0.283 8 L C -0.762 176.290 176.870 0.303 0.000 1.218 8 L CA -0.161 54.806 54.840 0.211 0.000 1.028 8 L CB 0.635 42.738 42.059 0.072 0.000 1.400 8 L HN 0.002 nan 8.230 nan 0.000 0.591 9 L N 0.670 122.039 121.223 0.243 0.000 2.319 9 L HA 0.621 4.965 4.340 0.006 0.000 0.281 9 L C -0.650 176.293 176.870 0.121 0.000 1.005 9 L CA -0.562 54.400 54.840 0.203 0.000 0.828 9 L CB 1.950 44.077 42.059 0.113 0.000 1.227 9 L HN -0.236 nan 8.230 nan 0.000 0.415 10 V N 2.815 122.769 119.914 0.067 0.000 2.914 10 V HA 0.553 4.677 4.120 0.006 0.000 0.314 10 V C -0.392 175.618 176.094 -0.139 0.000 1.084 10 V CA -0.798 61.372 62.300 -0.218 0.000 0.963 10 V CB 2.767 34.138 31.823 -0.753 0.000 1.025 10 V HN 0.751 nan 8.190 nan 0.000 0.432 11 R N 1.901 122.286 120.500 -0.192 0.000 2.445 11 R HA 0.802 5.145 4.340 0.006 0.000 0.308 11 R C -0.987 175.226 176.300 -0.145 0.000 0.961 11 R CA -0.347 55.693 56.100 -0.100 0.000 0.862 11 R CB 1.860 32.106 30.300 -0.090 0.000 1.144 11 R HN 0.702 nan 8.270 nan 0.000 0.447 12 V N 1.817 121.722 119.914 -0.015 0.000 3.166 12 V HA 0.505 4.628 4.120 0.006 0.000 0.317 12 V C 1.181 177.223 176.094 -0.086 0.000 1.136 12 V CA -0.964 61.326 62.300 -0.017 0.000 1.035 12 V CB 1.649 33.631 31.823 0.266 0.000 1.110 12 V HN 0.895 nan 8.190 nan 0.000 0.450 13 R N 1.507 121.941 120.500 -0.111 0.000 2.139 13 R HA -0.025 4.318 4.340 0.006 0.000 0.243 13 R C 1.814 177.997 176.300 -0.194 0.000 1.145 13 R CA 2.428 58.451 56.100 -0.129 0.000 0.976 13 R CB -1.200 29.037 30.300 -0.104 0.000 0.866 13 R HN 1.034 nan 8.270 nan 0.000 0.449 14 G N -1.801 106.864 108.800 -0.225 0.000 2.650 14 G HA2 0.335 4.299 3.960 0.006 0.000 0.214 14 G HA3 0.335 4.299 3.960 0.006 0.000 0.214 14 G C 0.506 174.481 174.900 -1.541 0.000 1.136 14 G CA 0.459 45.153 45.100 -0.677 0.000 0.789 14 G HN 0.767 nan 8.290 nan 0.000 0.536 15 G N -1.107 107.085 108.800 -1.014 0.000 2.260 15 G HA2 0.069 4.033 3.960 0.006 0.000 0.250 15 G HA3 0.069 4.033 3.960 0.006 0.000 0.250 15 G C -1.228 173.626 174.900 -0.077 0.000 1.340 15 G CA -0.867 43.741 45.100 -0.820 0.000 1.056 15 G HN 0.299 nan 8.290 nan 0.000 0.471 16 Q N 0.047 120.003 119.800 0.260 0.000 2.278 16 Q HA 0.658 5.001 4.340 0.006 0.000 0.257 16 Q C -0.406 175.912 176.000 0.530 0.000 0.928 16 Q CA -0.312 55.704 55.803 0.355 0.000 0.932 16 Q CB 1.750 30.619 28.738 0.219 0.000 1.221 16 Q HN 0.448 nan 8.270 nan 0.000 0.434 17 L N 1.973 123.427 121.223 0.385 0.000 2.331 17 L HA 0.618 4.962 4.340 0.006 0.000 0.275 17 L C -0.184 176.879 176.870 0.322 0.000 1.022 17 L CA -0.786 54.265 54.840 0.353 0.000 0.812 17 L CB 1.550 43.862 42.059 0.423 0.000 1.257 17 L HN 0.430 nan 8.230 nan 0.000 0.435 18 R N 0.706 121.360 120.500 0.258 0.000 2.393 18 R HA 0.602 4.945 4.340 0.006 0.000 0.315 18 R C -0.198 176.169 176.300 0.111 0.000 0.952 18 R CA -0.337 55.886 56.100 0.205 0.000 0.842 18 R CB 1.532 31.892 30.300 0.099 0.000 1.163 18 R HN 0.817 nan 8.270 nan 0.000 0.450 19 G N 3.148 111.927 108.800 -0.035 0.000 2.531 19 G HA2 0.453 4.417 3.960 0.006 0.000 0.281 19 G HA3 0.453 4.417 3.960 0.006 0.000 0.281 19 G C -0.979 173.683 174.900 -0.397 0.000 1.382 19 G CA -0.669 44.054 45.100 -0.627 0.000 1.045 19 G HN 0.587 nan 8.290 nan 0.000 0.533 20 I N -0.824 119.472 120.570 -0.457 0.000 2.569 20 I HA 0.431 4.605 4.170 0.006 0.000 0.290 20 I C 0.007 175.991 176.117 -0.221 0.000 1.088 20 I CA -1.019 60.123 61.300 -0.263 0.000 1.047 20 I CB 1.909 39.772 38.000 -0.229 0.000 1.237 20 I HN 0.416 nan 8.210 nan 0.000 0.421 21 R N 8.394 128.796 120.500 -0.162 0.000 2.248 21 R HA 0.429 4.773 4.340 0.006 0.000 0.337 21 R C -1.614 174.565 176.300 -0.201 0.000 1.085 21 R CA -0.311 55.659 56.100 -0.217 0.000 0.934 21 R CB 0.215 30.298 30.300 -0.362 0.000 1.034 21 R HN 0.674 nan 8.270 nan 0.000 0.465 22 L N 3.247 124.379 121.223 -0.152 0.000 2.360 22 L HA 0.376 4.720 4.340 0.006 0.000 0.271 22 L C 0.066 176.859 176.870 -0.128 0.000 1.057 22 L CA -1.002 53.770 54.840 -0.113 0.000 0.803 22 L CB 1.227 43.257 42.059 -0.049 0.000 1.207 22 L HN 0.410 nan 8.230 nan 0.000 0.445 23 K N 1.930 122.263 120.400 -0.110 0.000 2.201 23 K HA 0.647 4.971 4.320 0.006 0.000 0.278 23 K C -0.882 175.657 176.600 -0.102 0.000 1.027 23 K CA -0.126 56.101 56.287 -0.101 0.000 0.909 23 K CB 1.399 33.852 32.500 -0.078 0.000 1.062 23 K HN 0.614 nan 8.250 nan 0.000 0.465 24 A N 5.630 128.395 122.820 -0.092 0.000 2.354 24 A HA 0.596 4.920 4.320 0.006 0.000 0.321 24 A C -1.992 175.591 177.584 -0.002 0.000 1.125 24 A CA -1.826 50.155 52.037 -0.094 0.000 0.799 24 A CB 0.848 19.771 19.000 -0.127 0.000 1.293 24 A HN 0.656 nan 8.150 nan 0.000 0.452 25 P HA -0.175 nan 4.420 nan 0.000 0.216 25 P C 1.127 178.453 177.300 0.044 0.000 1.167 25 P CA 2.426 65.575 63.100 0.081 0.000 0.914 25 P CB 0.178 31.956 31.700 0.130 0.000 0.793 26 G N -2.059 106.769 108.800 0.046 0.000 3.702 26 G HA2 0.508 4.471 3.960 0.006 0.000 0.288 26 G HA3 0.508 4.471 3.960 0.006 0.000 0.288 26 G C 0.251 175.165 174.900 0.023 0.000 1.193 26 G CA 0.289 45.407 45.100 0.031 0.000 0.952 26 G HN 0.618 nan 8.290 nan 0.000 0.544 27 G N -0.076 108.730 108.800 0.010 0.000 2.369 27 G HA2 0.332 4.296 3.960 0.006 0.000 0.307 27 G HA3 0.332 4.296 3.960 0.006 0.000 0.307 27 G C -3.514 171.371 174.900 -0.025 0.000 1.327 27 G CA -0.774 44.327 45.100 0.003 0.000 0.963 27 G HN 0.111 nan 8.290 nan 0.000 0.590 28 P HA 0.632 nan 4.420 nan 0.000 0.287 28 P C -0.111 177.177 177.300 -0.021 0.000 1.270 28 P CA -0.587 62.438 63.100 -0.126 0.000 0.844 28 P CB 1.811 33.305 31.700 -0.344 0.000 1.068 29 V N -1.592 118.306 119.914 -0.025 0.000 3.074 29 V HA 0.732 4.856 4.120 0.006 0.000 0.314 29 V C -0.371 175.810 176.094 0.145 0.000 1.117 29 V CA -0.950 61.421 62.300 0.117 0.000 1.014 29 V CB 1.662 33.552 31.823 0.112 0.000 1.057 29 V HN 0.455 nan 8.190 nan 0.000 0.438 30 S N 1.409 117.267 115.700 0.264 0.000 2.480 30 S HA 0.855 5.328 4.470 0.006 0.000 0.286 30 S C -0.018 174.627 174.600 0.074 0.000 1.180 30 S CA -0.051 58.258 58.200 0.182 0.000 1.075 30 S CB 1.288 64.682 63.200 0.323 0.000 0.996 30 S HN 1.562 nan 8.310 nan 0.000 0.487 31 A N 2.622 125.318 122.820 -0.207 0.000 2.330 31 A HA 0.778 5.101 4.320 0.006 0.000 0.313 31 A C -1.166 176.054 177.584 -0.606 0.000 1.124 31 A CA -0.650 51.160 52.037 -0.379 0.000 0.774 31 A CB 0.341 19.101 19.000 -0.401 0.000 1.198 31 A HN 0.673 nan 8.150 nan 0.000 0.465 32 F N 2.872 122.667 119.950 -0.258 0.000 2.325 32 F HA 0.488 5.018 4.527 0.006 0.000 0.369 32 F C -0.143 175.461 175.800 -0.327 0.000 1.095 32 F CA -0.331 57.573 58.000 -0.161 0.000 1.082 32 F CB 1.252 40.295 39.000 0.073 0.000 1.289 32 F HN 0.340 nan 8.300 nan 0.000 0.462 33 L N 2.374 123.437 121.223 -0.267 0.000 2.329 33 L HA 0.686 5.029 4.340 0.006 0.000 0.279 33 L C 0.851 177.586 176.870 -0.225 0.000 1.014 33 L CA -0.969 53.630 54.840 -0.402 0.000 0.814 33 L CB 1.745 43.361 42.059 -0.738 0.000 1.257 33 L HN 0.827 nan 8.230 nan 0.000 0.424 34 G N 3.171 111.899 108.800 -0.120 0.000 2.198 34 G HA2 -0.253 3.711 3.960 0.006 0.000 0.257 34 G HA3 -0.253 3.711 3.960 0.006 0.000 0.257 34 G C -0.036 174.875 174.900 0.018 0.000 1.042 34 G CA -0.377 44.683 45.100 -0.067 0.000 0.791 34 G HN 0.504 nan 8.290 nan 0.000 0.502 35 I N 2.203 122.788 120.570 0.024 0.000 2.517 35 I HA 0.198 4.371 4.170 0.006 0.000 0.285 35 I C -1.314 174.846 176.117 0.072 0.000 1.106 35 I CA -1.755 59.549 61.300 0.005 0.000 1.402 35 I CB 0.758 38.708 38.000 -0.084 0.000 1.399 35 I HN 0.001 nan 8.210 nan 0.000 0.535 36 P HA 0.071 nan 4.420 nan 0.000 0.281 36 P C -0.272 176.974 177.300 -0.090 0.000 1.252 36 P CA -0.073 62.925 63.100 -0.171 0.000 0.778 36 P CB 0.613 32.202 31.700 -0.186 0.000 0.895 37 F N 0.964 120.748 119.950 -0.277 0.000 2.706 37 F HA 0.739 5.270 4.527 0.006 0.000 0.313 37 F C 0.048 175.824 175.800 -0.040 0.000 1.096 37 F CA -0.732 57.161 58.000 -0.180 0.000 1.219 37 F CB 0.278 39.082 39.000 -0.326 0.000 1.051 37 F HN 0.331 nan 8.300 nan 0.000 0.568 38 A N 0.059 122.592 122.820 -0.479 0.000 2.606 38 A HA 0.552 4.876 4.320 0.006 0.000 0.293 38 A C -0.942 176.471 177.584 -0.285 0.000 1.082 38 A CA -0.788 51.049 52.037 -0.333 0.000 0.685 38 A CB 1.022 19.740 19.000 -0.470 0.000 1.284 38 A HN 0.062 nan 8.150 nan 0.000 0.408 39 E N 1.309 121.421 120.200 -0.146 0.000 2.384 39 E HA 0.251 4.605 4.350 0.006 0.000 0.266 39 E C -2.323 174.178 176.600 -0.164 0.000 1.012 39 E CA -1.267 55.066 56.400 -0.111 0.000 0.901 39 E CB 0.196 29.869 29.700 -0.044 0.000 0.967 39 E HN 0.245 nan 8.360 nan 0.000 0.435 40 P HA 0.020 nan 4.420 nan 0.000 0.263 40 P C -2.222 175.008 177.300 -0.117 0.000 1.195 40 P CA -0.894 62.110 63.100 -0.159 0.000 0.762 40 P CB -0.032 31.611 31.700 -0.095 0.000 0.799 41 P HA -0.003 nan 4.420 nan 0.000 0.228 41 P C -0.067 177.176 177.300 -0.095 0.000 1.748 41 P CA 0.139 63.179 63.100 -0.099 0.000 0.909 41 P CB -0.196 31.444 31.700 -0.100 0.000 1.882 42 V N -2.710 117.156 119.914 -0.079 0.000 3.211 42 V HA 0.880 5.003 4.120 0.006 0.000 0.319 42 V C 1.003 177.064 176.094 -0.055 0.000 1.096 42 V CA 0.269 62.525 62.300 -0.074 0.000 1.029 42 V CB 0.701 32.488 31.823 -0.059 0.000 1.137 42 V HN 0.527 nan 8.190 nan 0.000 0.453 43 G N 2.249 111.019 108.800 -0.049 0.000 2.622 43 G HA2 -0.366 3.598 3.960 0.006 0.000 0.307 43 G HA3 -0.366 3.598 3.960 0.006 0.000 0.307 43 G C 1.298 176.186 174.900 -0.019 0.000 1.226 43 G CA 1.955 47.039 45.100 -0.027 0.000 0.997 43 G HN 2.430 nan 8.290 nan 0.000 0.551 44 S N 0.395 116.094 115.700 -0.002 0.000 2.440 44 S HA -0.124 4.350 4.470 0.006 0.000 0.240 44 S C 1.947 176.554 174.600 0.013 0.000 1.014 44 S CA 1.934 60.142 58.200 0.013 0.000 0.980 44 S CB -0.235 62.974 63.200 0.015 0.000 0.775 44 S HN 0.740 nan 8.310 nan 0.000 0.499 45 R N 0.801 121.294 120.500 -0.011 0.000 2.297 45 R HA 0.216 4.559 4.340 0.006 0.000 0.197 45 R C 0.955 177.233 176.300 -0.037 0.000 0.943 45 R CA -0.160 55.932 56.100 -0.014 0.000 1.038 45 R CB -0.161 30.123 30.300 -0.027 0.000 0.957 45 R HN 0.442 nan 8.270 nan 0.000 0.484 46 R N 0.784 121.230 120.500 -0.091 0.000 2.585 46 R HA -0.138 4.205 4.340 0.006 0.000 0.275 46 R C -0.268 175.922 176.300 -0.184 0.000 1.018 46 R CA 0.627 56.560 56.100 -0.279 0.000 1.072 46 R CB 0.134 30.148 30.300 -0.477 0.000 0.953 46 R HN 0.102 nan 8.270 nan 0.000 0.419 47 F N -0.942 119.015 119.950 0.012 0.000 2.748 47 F HA -0.310 4.220 4.527 0.006 0.000 0.370 47 F C 0.162 175.946 175.800 -0.027 0.000 0.620 47 F CA 0.775 58.757 58.000 -0.030 0.000 1.233 47 F CB -1.457 37.512 39.000 -0.051 0.000 1.708 47 F HN 0.466 nan 8.300 nan 0.000 0.298 48 M N 0.576 120.244 119.600 0.112 0.000 2.528 48 M HA 0.418 4.902 4.480 0.006 0.000 0.318 48 M C -1.980 174.346 176.300 0.043 0.000 1.195 48 M CA -1.478 53.867 55.300 0.076 0.000 1.000 48 M CB 1.037 33.673 32.600 0.060 0.000 1.615 48 M HN -0.387 nan 8.290 nan 0.000 0.469 49 P HA 0.039 nan 4.420 nan 0.000 0.267 49 P C -2.462 174.861 177.300 0.038 0.000 1.201 49 P CA -0.375 62.755 63.100 0.050 0.000 0.775 49 P CB -0.447 31.291 31.700 0.063 0.000 0.854 50 P HA 0.236 nan 4.420 nan 0.000 0.279 50 P C -0.694 176.630 177.300 0.040 0.000 1.239 50 P CA -0.041 63.074 63.100 0.026 0.000 0.789 50 P CB 0.879 32.608 31.700 0.049 0.000 0.933 51 E N 3.191 123.400 120.200 0.014 0.000 2.204 51 E HA 0.355 4.709 4.350 0.006 0.000 0.276 51 E C -2.179 174.444 176.600 0.038 0.000 0.974 51 E CA -2.314 54.105 56.400 0.031 0.000 0.815 51 E CB 0.536 30.248 29.700 0.019 0.000 1.119 51 E HN 0.354 nan 8.360 nan 0.000 0.393 52 P HA -0.090 nan 4.420 nan 0.000 0.266 52 P C -0.845 176.509 177.300 0.091 0.000 1.193 52 P CA -0.053 63.115 63.100 0.114 0.000 0.770 52 P CB 0.409 32.184 31.700 0.125 0.000 0.836 53 K N 3.617 124.092 120.400 0.126 0.000 2.383 53 K HA 0.084 4.407 4.320 0.006 0.000 0.286 53 K C -0.068 176.626 176.600 0.157 0.000 1.051 53 K CA 0.204 56.566 56.287 0.125 0.000 0.974 53 K CB -0.056 32.548 32.500 0.174 0.000 0.968 53 K HN 0.226 nan 8.250 nan 0.000 0.475 54 R N 5.374 125.946 120.500 0.119 0.000 2.489 54 R HA 0.115 4.458 4.340 0.006 0.000 0.287 54 R C -1.987 174.396 176.300 0.138 0.000 1.053 54 R CA -1.402 54.758 56.100 0.100 0.000 1.036 54 R CB 0.116 30.459 30.300 0.072 0.000 0.966 54 R HN 0.567 nan 8.270 nan 0.000 0.432 55 P HA -0.108 nan 4.420 nan 0.000 0.265 55 P C -1.130 176.183 177.300 0.021 0.000 1.187 55 P CA 0.177 63.205 63.100 -0.120 0.000 0.766 55 P CB 0.309 31.891 31.700 -0.197 0.000 0.820 56 W N 1.502 122.837 121.300 0.057 0.000 2.576 56 W HA 0.698 5.361 4.660 0.006 0.000 0.360 56 W C -0.666 175.879 176.519 0.044 0.000 1.109 56 W CA -0.835 56.540 57.345 0.050 0.000 1.237 56 W CB 0.059 29.556 29.460 0.061 0.000 1.369 56 W HN 0.360 nan 8.180 nan 0.000 0.609 57 S N 0.928 116.797 115.700 0.282 0.000 2.621 57 S HA 0.887 5.361 4.470 0.006 0.000 0.302 57 S C 0.315 175.076 174.600 0.269 0.000 1.093 57 S CA -0.208 58.099 58.200 0.179 0.000 1.017 57 S CB 1.047 64.299 63.200 0.087 0.000 1.077 57 S HN 2.074 nan 8.310 nan 0.000 0.517 58 G N -0.167 108.745 108.800 0.186 0.000 2.642 58 G HA2 -0.115 3.848 3.960 0.006 0.000 0.231 58 G HA3 -0.115 3.848 3.960 0.006 0.000 0.231 58 G C -0.823 174.236 174.900 0.266 0.000 1.338 58 G CA -0.393 44.813 45.100 0.177 0.000 0.883 58 G HN 1.601 nan 8.290 nan 0.000 0.570 59 V N 0.823 120.858 119.914 0.201 0.000 2.350 59 V HA 0.539 4.663 4.120 0.006 0.000 0.276 59 V C 0.881 177.060 176.094 0.142 0.000 1.028 59 V CA -0.329 62.099 62.300 0.214 0.000 0.860 59 V CB 1.167 33.073 31.823 0.139 0.000 0.990 59 V HN 0.821 nan 8.190 nan 0.000 0.453 60 L N 4.438 125.727 121.223 0.110 0.000 2.453 60 L HA 0.241 4.585 4.340 0.006 0.000 0.272 60 L C 0.643 177.484 176.870 -0.048 0.000 1.182 60 L CA 0.421 55.164 54.840 -0.162 0.000 0.858 60 L CB 0.584 42.288 42.059 -0.590 0.000 1.120 60 L HN 0.735 nan 8.230 nan 0.000 0.474 61 D N 4.841 125.193 120.400 -0.081 0.000 2.339 61 D HA 0.198 4.842 4.640 0.006 0.000 0.241 61 D C -0.580 175.670 176.300 -0.084 0.000 1.183 61 D CA -0.178 53.788 54.000 -0.057 0.000 0.859 61 D CB 1.369 42.130 40.800 -0.065 0.000 1.067 61 D HN 0.649 nan 8.370 nan 0.000 0.484 62 A N 3.398 126.196 122.820 -0.038 0.000 3.257 62 A HA 0.239 4.562 4.320 0.006 0.000 0.308 62 A C 1.021 178.514 177.584 -0.151 0.000 1.175 62 A CA -0.461 51.543 52.037 -0.055 0.000 1.018 62 A CB -0.216 18.852 19.000 0.112 0.000 1.088 62 A HN 0.571 nan 8.150 nan 0.000 0.567 63 T N -3.353 111.091 114.554 -0.183 0.000 3.010 63 T HA 0.251 4.604 4.350 0.006 0.000 0.257 63 T C 0.665 175.206 174.700 -0.266 0.000 1.020 63 T CA 0.741 62.705 62.100 -0.225 0.000 0.938 63 T CB -0.140 68.630 68.868 -0.164 0.000 1.049 63 T HN 0.684 nan 8.240 nan 0.000 0.522 64 T N -0.343 114.053 114.554 -0.264 0.000 2.906 64 T HA 0.707 5.060 4.350 0.006 0.000 0.295 64 T C -0.781 173.751 174.700 -0.279 0.000 1.061 64 T CA -0.866 61.076 62.100 -0.263 0.000 1.000 64 T CB 1.117 69.898 68.868 -0.145 0.000 1.103 64 T HN 0.003 nan 8.240 nan 0.000 0.486 65 F N 2.096 121.973 119.950 -0.121 0.000 2.563 65 F HA 0.305 4.836 4.527 0.006 0.000 0.363 65 F C 1.479 177.171 175.800 -0.179 0.000 1.123 65 F CA -0.081 57.846 58.000 -0.122 0.000 1.307 65 F CB 0.492 39.451 39.000 -0.069 0.000 1.115 65 F HN 0.477 nan 8.300 nan 0.000 0.592 66 Q N 1.399 121.188 119.800 -0.019 0.000 2.222 66 Q HA 0.192 4.535 4.340 0.006 0.000 0.211 66 Q C -0.118 175.795 176.000 -0.145 0.000 1.013 66 Q CA -0.779 54.861 55.803 -0.271 0.000 0.993 66 Q CB 0.527 28.788 28.738 -0.795 0.000 1.151 66 Q HN 0.514 nan 8.270 nan 0.000 0.544 67 N N -0.212 118.374 118.700 -0.191 0.000 2.283 67 N HA -0.041 4.703 4.740 0.006 0.000 0.236 67 N C -0.645 174.841 175.510 -0.040 0.000 1.252 67 N CA 0.290 53.283 53.050 -0.095 0.000 0.856 67 N CB 0.306 38.757 38.487 -0.060 0.000 1.099 67 N HN 0.166 nan 8.380 nan 0.000 0.444 68 V N 1.918 121.782 119.914 -0.083 0.000 2.472 68 V HA 0.156 4.279 4.120 0.006 0.000 0.290 68 V C 0.508 176.539 176.094 -0.104 0.000 1.037 68 V CA -0.905 61.338 62.300 -0.094 0.000 0.908 68 V CB 1.369 33.101 31.823 -0.151 0.000 0.985 68 V HN 0.732 nan 8.190 nan 0.000 0.454 69 c N 3.926 122.490 118.600 -0.061 0.000 2.665 69 c HA 0.058 4.632 4.570 0.006 0.000 0.416 69 c C 0.558 174.585 174.090 -0.104 0.000 1.305 69 c CA -0.486 55.805 56.329 -0.063 0.000 1.903 69 c CB -1.012 41.496 42.510 -0.003 0.000 2.704 69 c HN 0.744 nan 8.230 nan 0.000 0.629 70 Y N 3.516 123.662 120.300 -0.257 0.000 2.729 70 Y HA 0.187 4.741 4.550 0.006 0.000 0.331 70 Y C 0.947 176.854 175.900 0.010 0.000 1.208 70 Y CA 0.961 58.911 58.100 -0.250 0.000 1.521 70 Y CB 0.097 38.161 38.460 -0.659 0.000 1.233 70 Y HN 0.716 nan 8.280 nan 0.000 0.539 71 Q N 3.758 123.651 119.800 0.155 0.000 2.565 71 Q HA 0.265 4.609 4.340 0.006 0.000 0.294 71 Q C -1.767 174.451 176.000 0.364 0.000 1.005 71 Q CA -1.291 54.710 55.803 0.329 0.000 0.771 71 Q CB 1.542 30.415 28.738 0.225 0.000 1.486 71 Q HN 0.651 nan 8.270 nan 0.000 0.422 72 Y N 1.127 121.655 120.300 0.380 0.000 2.442 72 Y HA 0.367 4.920 4.550 0.006 0.000 0.330 72 Y C -0.975 175.107 175.900 0.304 0.000 1.129 72 Y CA -0.199 58.133 58.100 0.385 0.000 1.365 72 Y CB 0.894 39.703 38.460 0.581 0.000 1.233 72 Y HN 0.419 nan 8.280 nan 0.000 0.529 73 V N 6.985 126.599 119.914 -0.499 0.000 2.383 73 V HA 0.068 4.192 4.120 0.006 0.000 0.275 73 V C -0.273 175.422 176.094 -0.665 0.000 1.036 73 V CA -0.874 61.181 62.300 -0.408 0.000 0.889 73 V CB 1.087 32.791 31.823 -0.199 0.000 0.985 73 V HN 0.795 nan 8.190 nan 0.000 0.459 74 D N 3.804 124.030 120.400 -0.290 0.000 2.450 74 D HA 0.164 4.808 4.640 0.006 0.000 0.247 74 D C 0.871 177.168 176.300 -0.005 0.000 1.162 74 D CA 0.468 54.439 54.000 -0.049 0.000 0.879 74 D CB 0.983 41.934 40.800 0.250 0.000 1.163 74 D HN 0.745 nan 8.370 nan 0.000 0.472 75 T N 1.688 116.252 114.554 0.017 0.000 3.393 75 T HA 0.073 4.426 4.350 0.006 0.000 0.298 75 T C 1.219 175.914 174.700 -0.010 0.000 1.004 75 T CA -0.551 61.559 62.100 0.017 0.000 0.956 75 T CB -0.095 68.765 68.868 -0.013 0.000 1.182 75 T HN 0.254 nan 8.240 nan 0.000 0.497 76 L N 0.737 121.947 121.223 -0.023 0.000 2.083 76 L HA 0.256 4.600 4.340 0.006 0.000 0.209 76 L C -0.222 176.337 176.870 -0.518 0.000 1.083 76 L CA 1.542 56.185 54.840 -0.328 0.000 0.752 76 L CB -0.427 41.328 42.059 -0.505 0.000 0.899 76 L HN 0.487 nan 8.230 nan 0.000 0.433 77 Y N -0.157 120.186 120.300 0.072 0.000 2.584 77 Y HA 0.404 4.958 4.550 0.006 0.000 0.358 77 Y C -2.144 173.808 175.900 0.087 0.000 1.028 77 Y CA -3.565 54.563 58.100 0.047 0.000 1.148 77 Y CB -0.362 38.122 38.460 0.040 0.000 1.126 77 Y HN 0.024 nan 8.280 nan 0.000 0.658 78 P HA -0.088 nan 4.420 nan 0.000 0.260 78 P C 1.166 178.530 177.300 0.107 0.000 1.147 78 P CA 2.263 65.420 63.100 0.096 0.000 0.758 78 P CB 0.546 32.276 31.700 0.049 0.000 0.744 79 G N 2.371 111.218 108.800 0.078 0.000 2.212 79 G HA2 -0.312 3.651 3.960 0.006 0.000 0.266 79 G HA3 -0.312 3.651 3.960 0.006 0.000 0.266 79 G C 0.002 174.956 174.900 0.091 0.000 0.978 79 G CA -0.156 44.978 45.100 0.056 0.000 0.632 79 G HN 0.559 nan 8.290 nan 0.000 0.537 80 F N 2.466 122.380 119.950 -0.059 0.000 2.438 80 F HA 0.563 5.093 4.527 0.005 0.000 0.360 80 F C 1.412 177.117 175.800 -0.157 0.000 1.118 80 F CA -0.860 57.054 58.000 -0.143 0.000 1.164 80 F CB 1.176 40.069 39.000 -0.178 0.000 1.131 80 F HN 0.254 nan 8.300 nan 0.000 0.527 81 E N 4.263 124.168 120.200 -0.492 0.000 2.114 81 E HA -0.168 4.185 4.350 0.006 0.000 0.199 81 E C 2.186 178.309 176.600 -0.795 0.000 1.008 81 E CA 2.075 58.149 56.400 -0.543 0.000 0.810 81 E CB -0.621 28.836 29.700 -0.404 0.000 0.739 81 E HN 0.851 nan 8.360 nan 0.000 0.456 82 G N -1.022 106.753 108.800 -1.708 0.000 2.485 82 G HA2 -0.318 3.646 3.960 0.006 0.000 0.221 82 G HA3 -0.318 3.646 3.960 0.006 0.000 0.221 82 G C 1.658 176.401 174.900 -0.261 0.000 1.115 82 G CA 1.770 46.020 45.100 -1.417 0.000 0.751 82 G HN 0.526 nan 8.290 nan 0.000 0.567 83 T N -2.969 111.426 114.554 -0.266 0.000 2.999 83 T HA 0.161 4.515 4.350 0.006 0.000 0.247 83 T C 1.836 176.663 174.700 0.212 0.000 1.012 83 T CA 0.559 62.869 62.100 0.351 0.000 1.048 83 T CB 0.130 69.305 68.868 0.512 0.000 1.020 83 T HN 0.125 nan 8.240 nan 0.000 0.478 84 E N 2.409 122.604 120.200 -0.010 0.000 2.204 84 E HA -0.057 4.296 4.350 0.006 0.000 0.194 84 E C 2.208 178.718 176.600 -0.150 0.000 0.989 84 E CA 1.158 57.528 56.400 -0.049 0.000 0.824 84 E CB -0.497 29.151 29.700 -0.086 0.000 0.756 84 E HN 0.774 nan 8.360 nan 0.000 0.477 85 M N -1.966 117.456 119.600 -0.296 0.000 2.435 85 M HA -0.101 4.382 4.480 0.006 0.000 0.262 85 M C 1.079 176.992 176.300 -0.644 0.000 1.065 85 M CA 1.483 56.459 55.300 -0.540 0.000 1.076 85 M CB -0.409 31.758 32.600 -0.723 0.000 1.403 85 M HN 0.034 nan 8.290 nan 0.000 0.454 86 W N 0.488 121.723 121.300 -0.108 0.000 2.993 86 W HA 0.299 4.962 4.660 0.005 0.000 0.290 86 W C 0.381 176.832 176.519 -0.114 0.000 1.203 86 W CA -0.955 56.316 57.345 -0.123 0.000 1.582 86 W CB -0.069 29.373 29.460 -0.029 0.000 1.033 86 W HN 0.080 nan 8.180 nan 0.000 0.594 87 N N 2.006 120.757 118.700 0.086 0.000 2.416 87 N HA 0.067 4.810 4.740 0.006 0.000 0.246 87 N C -2.317 173.151 175.510 -0.069 0.000 1.260 87 N CA -1.012 52.048 53.050 0.017 0.000 0.897 87 N CB -0.276 38.210 38.487 -0.001 0.000 1.110 87 N HN -0.300 nan 8.380 nan 0.000 0.439 88 P HA 0.001 nan 4.420 nan 0.000 0.266 88 P C -0.037 177.180 177.300 -0.138 0.000 1.186 88 P CA 0.402 63.422 63.100 -0.134 0.000 0.767 88 P CB 0.245 31.862 31.700 -0.138 0.000 0.820 89 N N 0.155 118.759 118.700 -0.161 0.000 2.194 89 N HA 0.150 4.893 4.740 0.006 0.000 0.231 89 N C 0.166 175.601 175.510 -0.125 0.000 1.247 89 N CA -0.606 52.355 53.050 -0.149 0.000 0.884 89 N CB 0.560 38.935 38.487 -0.186 0.000 1.146 89 N HN 0.051 nan 8.380 nan 0.000 0.516 90 R N 0.589 121.014 120.500 -0.125 0.000 2.817 90 R HA 0.266 4.610 4.340 0.006 0.000 0.268 90 R C -0.906 175.325 176.300 -0.116 0.000 1.027 90 R CA -0.675 55.365 56.100 -0.100 0.000 0.928 90 R CB 1.036 31.285 30.300 -0.084 0.000 1.228 90 R HN 0.239 nan 8.270 nan 0.000 0.469 91 E N 1.464 121.601 120.200 -0.105 0.000 2.481 91 E HA -0.039 4.315 4.350 0.006 0.000 0.263 91 E C -0.451 176.051 176.600 -0.164 0.000 0.992 91 E CA 0.232 56.560 56.400 -0.119 0.000 0.938 91 E CB 0.531 30.176 29.700 -0.092 0.000 0.933 91 E HN 0.248 nan 8.360 nan 0.000 0.453 92 L N 3.244 124.322 121.223 -0.242 0.000 2.305 92 L HA 0.253 4.596 4.340 0.006 0.000 0.281 92 L C 0.299 176.970 176.870 -0.332 0.000 1.085 92 L CA -0.028 54.561 54.840 -0.419 0.000 0.813 92 L CB 1.241 42.825 42.059 -0.791 0.000 1.157 92 L HN 0.431 nan 8.230 nan 0.000 0.436 93 S N 1.359 116.935 115.700 -0.206 0.000 2.552 93 S HA 0.186 4.660 4.470 0.006 0.000 0.272 93 S C 0.230 174.833 174.600 0.006 0.000 1.150 93 S CA -0.693 57.516 58.200 0.014 0.000 0.849 93 S CB 1.547 64.744 63.200 -0.005 0.000 1.113 93 S HN 0.740 nan 8.310 nan 0.000 0.458 94 E N 0.891 121.083 120.200 -0.013 0.000 2.268 94 E HA -0.072 4.281 4.350 0.006 0.000 0.195 94 E C -0.321 176.225 176.600 -0.090 0.000 0.995 94 E CA 0.577 56.884 56.400 -0.155 0.000 0.836 94 E CB 0.039 29.610 29.700 -0.215 0.000 0.763 94 E HN 0.546 nan 8.360 nan 0.000 0.491 95 D N 0.404 120.788 120.400 -0.027 0.000 2.453 95 D HA 0.010 4.654 4.640 0.006 0.000 0.223 95 D C 0.030 176.416 176.300 0.143 0.000 1.183 95 D CA -0.313 53.699 54.000 0.020 0.000 0.933 95 D CB 0.067 40.899 40.800 0.053 0.000 1.038 95 D HN 0.139 nan 8.370 nan 0.000 0.513 96 c N 2.487 121.136 118.600 0.083 0.000 3.935 96 c HA 0.342 4.916 4.570 0.006 0.000 0.301 96 c C 0.602 174.758 174.090 0.110 0.000 1.874 96 c CA -0.650 55.799 56.329 0.201 0.000 1.723 96 c CB -1.213 41.339 42.510 0.070 0.000 3.192 96 c HN 0.444 nan 8.230 nan 0.000 0.577 97 L N 2.562 123.575 121.223 -0.351 0.000 2.384 97 L HA 0.384 4.727 4.340 0.006 0.000 0.258 97 L C -0.949 175.324 176.870 -0.996 0.000 1.266 97 L CA 0.526 54.963 54.840 -0.671 0.000 1.162 97 L CB -0.748 40.744 42.059 -0.945 0.000 1.375 97 L HN 0.415 nan 8.230 nan 0.000 0.420 98 Y N 1.618 121.917 120.300 -0.002 0.000 2.536 98 Y HA 0.626 5.180 4.550 0.006 0.000 0.347 98 Y C -0.012 176.092 175.900 0.339 0.000 1.000 98 Y CA -1.324 56.858 58.100 0.137 0.000 1.051 98 Y CB 1.916 40.385 38.460 0.014 0.000 1.259 98 Y HN 0.187 nan 8.280 nan 0.000 0.468 99 L N -0.067 121.346 121.223 0.316 0.000 2.301 99 L HA 0.763 5.107 4.340 0.006 0.000 0.264 99 L C -1.090 175.765 176.870 -0.025 0.000 1.016 99 L CA -1.095 53.783 54.840 0.062 0.000 0.821 99 L CB 1.522 43.418 42.059 -0.272 0.000 1.346 99 L HN 0.476 nan 8.230 nan 0.000 0.429 100 N N 0.209 118.887 118.700 -0.036 0.000 2.272 100 N HA 0.684 5.427 4.740 0.006 0.000 0.305 100 N C -1.453 173.902 175.510 -0.259 0.000 1.103 100 N CA -0.479 52.449 53.050 -0.204 0.000 0.791 100 N CB 2.841 41.185 38.487 -0.237 0.000 1.356 100 N HN 0.480 nan 8.380 nan 0.000 0.486 101 V N 1.354 121.048 119.914 -0.366 0.000 2.487 101 V HA 0.439 4.563 4.120 0.006 0.000 0.298 101 V C -0.729 175.217 176.094 -0.245 0.000 1.028 101 V CA -0.803 61.355 62.300 -0.236 0.000 0.860 101 V CB 2.054 33.633 31.823 -0.405 0.000 0.991 101 V HN 0.556 nan 8.190 nan 0.000 0.427 102 W N 3.048 124.413 121.300 0.110 0.000 2.529 102 W HA 0.681 5.345 4.660 0.006 0.000 0.321 102 W C 0.184 176.786 176.519 0.138 0.000 1.047 102 W CA -0.409 57.009 57.345 0.121 0.000 1.216 102 W CB 2.366 31.886 29.460 0.099 0.000 1.357 102 W HN 0.659 nan 8.180 nan 0.000 0.489 103 T N 0.339 115.125 114.554 0.387 0.000 2.896 103 T HA 0.499 4.852 4.350 0.006 0.000 0.297 103 T C -2.775 172.092 174.700 0.279 0.000 1.108 103 T CA -2.448 59.838 62.100 0.311 0.000 1.004 103 T CB 2.265 71.334 68.868 0.336 0.000 1.159 103 T HN -0.099 nan 8.240 nan 0.000 0.499 104 P HA 0.080 nan 4.420 nan 0.000 0.269 104 P C -1.486 175.958 177.300 0.240 0.000 1.200 104 P CA 0.088 63.303 63.100 0.192 0.000 0.779 104 P CB 0.058 31.840 31.700 0.138 0.000 0.841 105 Y N 2.373 122.726 120.300 0.087 0.000 2.326 105 Y HA 0.386 4.940 4.550 0.006 0.000 0.329 105 Y C -2.117 173.817 175.900 0.056 0.000 0.973 105 Y CA -2.441 55.705 58.100 0.075 0.000 1.162 105 Y CB 1.116 39.609 38.460 0.055 0.000 1.147 105 Y HN 0.320 nan 8.280 nan 0.000 0.456 106 P HA 0.168 nan 4.420 nan 0.000 0.270 106 P C -0.932 176.316 177.300 -0.086 0.000 1.223 106 P CA -0.236 62.644 63.100 -0.366 0.000 0.785 106 P CB 0.937 32.478 31.700 -0.265 0.000 0.923 107 R N 2.117 122.592 120.500 -0.040 0.000 2.583 107 R HA 0.100 4.443 4.340 0.006 0.000 0.274 107 R C -1.589 174.737 176.300 0.042 0.000 0.998 107 R CA -0.917 55.228 56.100 0.075 0.000 1.081 107 R CB -0.841 29.533 30.300 0.123 0.000 0.940 107 R HN 0.476 nan 8.270 nan 0.000 0.413 108 P HA -0.044 nan 4.420 nan 0.000 0.269 108 P C -0.260 177.057 177.300 0.028 0.000 1.215 108 P CA 0.067 63.195 63.100 0.046 0.000 0.780 108 P CB 0.932 32.669 31.700 0.061 0.000 0.898 109 A N 2.566 125.396 122.820 0.016 0.000 1.855 109 A HA 0.016 4.340 4.320 0.006 0.000 0.213 109 A C 1.258 178.845 177.584 0.006 0.000 1.195 109 A CA 1.384 53.424 52.037 0.006 0.000 0.610 109 A CB -1.131 17.870 19.000 0.002 0.000 0.837 109 A HN 0.721 nan 8.150 nan 0.000 0.444 110 S N 0.086 115.792 115.700 0.010 0.000 2.646 110 S HA 0.583 5.057 4.470 0.006 0.000 0.276 110 S C -2.966 171.643 174.600 0.015 0.000 1.222 110 S CA -1.577 56.627 58.200 0.007 0.000 1.014 110 S CB 0.858 64.060 63.200 0.004 0.000 0.991 110 S HN 0.182 nan 8.310 nan 0.000 0.533 111 P HA 0.344 nan 4.420 nan 0.000 0.287 111 P C -0.833 176.481 177.300 0.022 0.000 1.281 111 P CA -0.276 62.835 63.100 0.019 0.000 0.781 111 P CB 0.658 32.364 31.700 0.009 0.000 0.903 112 T N 5.017 119.595 114.554 0.041 0.000 2.875 112 T HA 0.393 4.747 4.350 0.006 0.000 0.284 112 T C -2.409 172.318 174.700 0.046 0.000 0.995 112 T CA -1.770 60.357 62.100 0.044 0.000 1.060 112 T CB 0.413 69.320 68.868 0.064 0.000 0.967 112 T HN 0.212 nan 8.240 nan 0.000 0.476 113 P HA 0.116 nan 4.420 nan 0.000 0.262 113 P C -0.809 176.528 177.300 0.062 0.000 1.182 113 P CA -0.093 63.026 63.100 0.032 0.000 0.761 113 P CB 0.339 32.042 31.700 0.005 0.000 0.795 114 V N 5.306 125.271 119.914 0.085 0.000 2.532 114 V HA 0.384 4.508 4.120 0.006 0.000 0.295 114 V C 0.322 176.489 176.094 0.121 0.000 1.041 114 V CA -0.470 61.900 62.300 0.117 0.000 0.926 114 V CB 1.406 33.311 31.823 0.137 0.000 0.992 114 V HN 0.347 nan 8.190 nan 0.000 0.457 115 L N 5.053 126.362 121.223 0.144 0.000 2.381 115 L HA 0.604 4.947 4.340 0.006 0.000 0.274 115 L C -0.812 176.270 176.870 0.353 0.000 0.988 115 L CA -0.125 54.809 54.840 0.156 0.000 0.824 115 L CB 1.846 43.885 42.059 -0.033 0.000 1.263 115 L HN 0.492 nan 8.230 nan 0.000 0.410 116 I N 2.934 123.756 120.570 0.421 0.000 2.362 116 I HA 0.241 4.415 4.170 0.006 0.000 0.289 116 I C -0.859 175.570 176.117 0.520 0.000 0.994 116 I CA -0.396 61.145 61.300 0.402 0.000 1.158 116 I CB 1.453 39.557 38.000 0.173 0.000 1.315 116 I HN 0.606 nan 8.210 nan 0.000 0.451 117 W N 8.495 129.928 121.300 0.222 0.000 2.361 117 W HA 0.566 5.228 4.660 0.004 0.000 0.309 117 W C -1.499 174.941 176.519 -0.130 0.000 1.122 117 W CA -0.690 56.585 57.345 -0.117 0.000 1.208 117 W CB 1.215 30.627 29.460 -0.079 0.000 1.246 117 W HN 0.346 nan 8.180 nan 0.000 0.490 118 I N 9.197 129.173 120.570 -0.989 0.000 2.359 118 I HA 0.069 4.243 4.170 0.006 0.000 0.284 118 I C -0.103 175.241 176.117 -1.289 0.000 1.018 118 I CA -1.094 59.663 61.300 -0.904 0.000 1.173 118 I CB 0.416 38.034 38.000 -0.635 0.000 1.326 118 I HN 0.290 nan 8.210 nan 0.000 0.462 119 Y N 4.592 124.413 120.300 -0.797 0.000 2.511 119 Y HA 0.626 5.180 4.550 0.006 0.000 0.347 119 Y C 0.791 176.516 175.900 -0.291 0.000 1.257 119 Y CA -0.801 56.946 58.100 -0.589 0.000 1.469 119 Y CB -0.105 38.208 38.460 -0.245 0.000 1.353 119 Y HN 0.514 nan 8.280 nan 0.000 0.617 120 G N -0.938 107.892 108.800 0.050 0.000 2.583 120 G HA2 0.496 4.460 3.960 0.006 0.000 0.280 120 G HA3 0.496 4.460 3.960 0.006 0.000 0.280 120 G C 0.245 175.110 174.900 -0.060 0.000 1.376 120 G CA -0.931 44.117 45.100 -0.086 0.000 1.043 120 G HN 1.729 nan 8.290 nan 0.000 0.538 121 G N -2.694 105.911 108.800 -0.325 0.000 2.223 121 G HA2 0.399 4.362 3.960 0.006 0.000 0.200 121 G HA3 0.399 4.362 3.960 0.006 0.000 0.200 121 G C 1.027 175.400 174.900 -0.879 0.000 1.061 121 G CA 0.646 45.435 45.100 -0.518 0.000 0.790 121 G HN 2.252 nan 8.290 nan 0.000 0.498 122 G N -0.351 107.983 108.800 -0.777 0.000 2.337 122 G HA2 -0.121 3.843 3.960 0.006 0.000 0.290 122 G HA3 -0.121 3.843 3.960 0.006 0.000 0.290 122 G C 0.956 175.430 174.900 -0.711 0.000 1.003 122 G CA 0.893 45.412 45.100 -0.970 0.000 0.825 122 G HN 1.749 nan 8.290 nan 0.000 0.509 123 F N -3.652 116.072 119.950 -0.377 0.000 2.825 123 F HA -0.320 4.211 4.527 0.006 0.000 0.358 123 F C 1.501 177.330 175.800 0.049 0.000 0.639 123 F CA 2.075 59.974 58.000 -0.168 0.000 1.153 123 F CB -2.061 36.686 39.000 -0.421 0.000 1.610 123 F HN 0.835 nan 8.300 nan 0.000 0.305 124 Y N -0.960 119.413 120.300 0.122 0.000 2.481 124 Y HA 0.673 5.226 4.550 0.006 0.000 0.247 124 Y C 0.519 176.564 175.900 0.241 0.000 1.151 124 Y CA 0.167 58.392 58.100 0.209 0.000 1.238 124 Y CB 0.010 38.578 38.460 0.181 0.000 1.179 124 Y HN 0.094 nan 8.280 nan 0.000 0.524 125 S N -1.007 114.617 115.700 -0.127 0.000 2.611 125 S HA 0.839 5.312 4.470 0.006 0.000 0.268 125 S C -0.348 174.148 174.600 -0.172 0.000 1.156 125 S CA -0.466 57.676 58.200 -0.096 0.000 0.817 125 S CB 1.432 64.556 63.200 -0.127 0.000 1.122 125 S HN 1.324 nan 8.310 nan 0.000 0.466 126 G N -0.664 107.980 108.800 -0.259 0.000 2.362 126 G HA2 0.575 4.538 3.960 0.006 0.000 0.656 126 G HA3 0.575 4.538 3.960 0.006 0.000 0.656 126 G C -0.853 173.353 174.900 -1.157 0.000 1.376 126 G CA -0.101 44.630 45.100 -0.615 0.000 0.971 126 G HN 2.153 nan 8.290 nan 0.000 0.636 127 A N -0.821 121.214 122.820 -1.308 0.000 2.540 127 A HA 0.984 5.307 4.320 0.006 0.000 0.297 127 A C 0.631 178.017 177.584 -0.330 0.000 1.056 127 A CA 0.499 52.075 52.037 -0.768 0.000 0.700 127 A CB 1.176 19.957 19.000 -0.365 0.000 1.280 127 A HN 2.563 nan 8.150 nan 0.000 0.398 128 A N 0.769 123.623 122.820 0.057 0.000 2.209 128 A HA 0.191 4.515 4.320 0.006 0.000 0.212 128 A C 1.762 179.371 177.584 0.041 0.000 1.158 128 A CA 1.900 54.132 52.037 0.325 0.000 0.742 128 A CB -0.561 18.697 19.000 0.431 0.000 0.790 128 A HN 1.635 nan 8.150 nan 0.000 0.472 129 S N -0.279 115.207 115.700 -0.356 0.000 2.501 129 S HA 0.231 4.705 4.470 0.006 0.000 0.220 129 S C 0.646 174.818 174.600 -0.714 0.000 0.997 129 S CA -0.415 57.111 58.200 -1.125 0.000 0.919 129 S CB -0.637 61.899 63.200 -1.106 0.000 0.778 129 S HN 0.423 nan 8.310 nan 0.000 0.523 130 L N 2.879 123.848 121.223 -0.423 0.000 2.593 130 L HA -0.015 4.329 4.340 0.006 0.000 0.287 130 L C 1.256 177.805 176.870 -0.536 0.000 1.243 130 L CA -0.275 54.266 54.840 -0.497 0.000 0.890 130 L CB 0.045 41.712 42.059 -0.653 0.000 1.134 130 L HN 0.072 nan 8.230 nan 0.000 0.502 131 D N 1.669 121.792 120.400 -0.463 0.000 2.149 131 D HA -0.161 4.482 4.640 0.006 0.000 0.194 131 D C 1.971 177.985 176.300 -0.477 0.000 1.001 131 D CA 1.657 55.435 54.000 -0.369 0.000 0.849 131 D CB -0.043 40.577 40.800 -0.300 0.000 0.939 131 D HN 0.583 nan 8.370 nan 0.000 0.449 132 V N -1.475 118.006 119.914 -0.723 0.000 3.383 132 V HA -0.141 3.982 4.120 0.006 0.000 0.272 132 V C 0.710 176.178 176.094 -1.043 0.000 1.181 132 V CA 0.980 62.805 62.300 -0.790 0.000 1.171 132 V CB -1.239 30.061 31.823 -0.870 0.000 0.800 132 V HN 0.091 nan 8.190 nan 0.000 0.515 133 Y N -0.044 119.692 120.300 -0.939 0.000 2.681 133 Y HA 0.488 5.042 4.550 0.005 0.000 0.267 133 Y C 0.700 176.061 175.900 -0.898 0.000 1.166 133 Y CA -2.153 55.041 58.100 -1.511 0.000 1.209 133 Y CB -0.625 37.317 38.460 -0.864 0.000 1.161 133 Y HN 0.217 nan 8.280 nan 0.000 0.534 134 D N 0.722 120.828 120.400 -0.491 0.000 2.401 134 D HA 0.085 4.728 4.640 0.006 0.000 0.254 134 D C 1.342 177.276 176.300 -0.610 0.000 1.192 134 D CA 0.482 54.228 54.000 -0.424 0.000 0.885 134 D CB 1.603 42.281 40.800 -0.203 0.000 1.147 134 D HN 0.481 nan 8.370 nan 0.000 0.478 135 G N 3.806 111.549 108.800 -1.761 0.000 2.985 135 G HA2 -0.146 3.818 3.960 0.006 0.000 0.209 135 G HA3 -0.146 3.818 3.960 0.006 0.000 0.209 135 G C 1.474 175.814 174.900 -0.934 0.000 1.165 135 G CA 0.242 44.587 45.100 -1.259 0.000 0.776 135 G HN 0.623 nan 8.290 nan 0.000 0.541 136 R N -0.478 119.358 120.500 -1.107 0.000 2.096 136 R HA -0.021 4.322 4.340 0.006 0.000 0.235 136 R C 1.723 177.703 176.300 -0.533 0.000 1.127 136 R CA 1.403 57.069 56.100 -0.723 0.000 0.968 136 R CB -0.688 29.182 30.300 -0.716 0.000 0.861 136 R HN 0.317 nan 8.270 nan 0.000 0.440 137 F N 1.293 121.136 119.950 -0.179 0.000 2.163 137 F HA 0.083 4.614 4.527 0.006 0.000 0.297 137 F C 2.274 178.010 175.800 -0.107 0.000 1.094 137 F CA 0.600 58.527 58.000 -0.123 0.000 1.290 137 F CB -0.531 38.389 39.000 -0.134 0.000 1.017 137 F HN -0.128 nan 8.300 nan 0.000 0.483 138 L N -0.117 121.131 121.223 0.042 0.000 2.083 138 L HA -0.198 4.145 4.340 0.006 0.000 0.209 138 L C 2.706 179.579 176.870 0.005 0.000 1.083 138 L CA 1.075 55.904 54.840 -0.019 0.000 0.752 138 L CB -0.830 41.172 42.059 -0.095 0.000 0.899 138 L HN 0.197 nan 8.230 nan 0.000 0.433 139 A N -0.895 121.927 122.820 0.004 0.000 1.845 139 A HA -0.257 4.066 4.320 0.006 0.000 0.215 139 A C 2.262 179.882 177.584 0.060 0.000 1.195 139 A CA 1.594 53.672 52.037 0.068 0.000 0.616 139 A CB -0.631 18.444 19.000 0.125 0.000 0.832 139 A HN 0.370 nan 8.150 nan 0.000 0.443 140 Q N -0.257 119.562 119.800 0.031 0.000 2.050 140 Q HA -0.106 4.237 4.340 0.006 0.000 0.202 140 Q C 2.102 178.130 176.000 0.047 0.000 0.980 140 Q CA 2.106 57.934 55.803 0.042 0.000 0.840 140 Q CB -0.258 28.489 28.738 0.015 0.000 0.898 140 Q HN 0.410 nan 8.270 nan 0.000 0.424 141 V N 0.736 120.677 119.914 0.046 0.000 3.052 141 V HA -0.035 4.088 4.120 0.006 0.000 0.254 141 V C 1.254 177.362 176.094 0.023 0.000 1.100 141 V CA 1.041 63.363 62.300 0.036 0.000 1.112 141 V CB 0.146 31.991 31.823 0.038 0.000 0.738 141 V HN 0.197 nan 8.190 nan 0.000 0.469 142 E N -0.198 120.016 120.200 0.023 0.000 2.583 142 E HA 0.234 4.588 4.350 0.006 0.000 0.213 142 E C 1.537 178.154 176.600 0.030 0.000 0.989 142 E CA 0.609 57.020 56.400 0.018 0.000 0.991 142 E CB 0.770 30.473 29.700 0.004 0.000 1.040 142 E HN 0.483 nan 8.360 nan 0.000 0.481 143 G N 2.157 110.984 108.800 0.044 0.000 2.321 143 G HA2 -0.313 3.650 3.960 0.006 0.000 0.287 143 G HA3 -0.313 3.650 3.960 0.006 0.000 0.287 143 G C 0.452 175.391 174.900 0.066 0.000 1.018 143 G CA 0.560 45.696 45.100 0.059 0.000 0.855 143 G HN 0.420 nan 8.290 nan 0.000 0.507 144 A N -0.811 122.048 122.820 0.065 0.000 2.316 144 A HA 0.737 5.061 4.320 0.006 0.000 0.284 144 A C 0.463 178.119 177.584 0.121 0.000 1.115 144 A CA -0.164 51.915 52.037 0.071 0.000 0.812 144 A CB 1.327 20.350 19.000 0.039 0.000 1.064 144 A HN 1.098 nan 8.150 nan 0.000 0.489 145 V N 3.080 123.073 119.914 0.132 0.000 2.406 145 V HA 0.361 4.484 4.120 0.006 0.000 0.272 145 V C -0.013 176.203 176.094 0.204 0.000 1.043 145 V CA -0.034 62.371 62.300 0.175 0.000 0.915 145 V CB 0.566 32.481 31.823 0.153 0.000 0.988 145 V HN 0.728 nan 8.190 nan 0.000 0.466 146 L N 5.863 127.264 121.223 0.295 0.000 2.365 146 L HA 0.790 5.133 4.340 0.006 0.000 0.273 146 L C -0.919 176.226 176.870 0.458 0.000 1.000 146 L CA -0.317 54.753 54.840 0.383 0.000 0.819 146 L CB 2.049 44.352 42.059 0.406 0.000 1.284 146 L HN 0.450 nan 8.230 nan 0.000 0.418 147 V N 2.733 122.895 119.914 0.414 0.000 2.789 147 V HA 0.735 4.858 4.120 0.006 0.000 0.311 147 V C -0.725 175.601 176.094 0.386 0.000 1.073 147 V CA -0.420 62.070 62.300 0.317 0.000 0.921 147 V CB 2.273 34.213 31.823 0.194 0.000 1.009 147 V HN 0.840 nan 8.190 nan 0.000 0.426 148 S N 4.980 120.886 115.700 0.343 0.000 2.540 148 S HA 0.851 5.325 4.470 0.006 0.000 0.275 148 S C -0.912 173.823 174.600 0.224 0.000 1.123 148 S CA -0.825 57.590 58.200 0.358 0.000 0.907 148 S CB 2.201 65.754 63.200 0.588 0.000 1.081 148 S HN 0.893 nan 8.310 nan 0.000 0.476 149 M N 1.434 121.131 119.600 0.162 0.000 2.598 149 M HA 0.649 5.133 4.480 0.006 0.000 0.317 149 M C -1.600 174.901 176.300 0.335 0.000 1.179 149 M CA -0.519 54.860 55.300 0.131 0.000 0.936 149 M CB 1.120 33.621 32.600 -0.166 0.000 1.713 149 M HN 0.557 nan 8.290 nan 0.000 0.460 150 N N 2.699 121.665 118.700 0.443 0.000 2.529 150 N HA 0.544 5.287 4.740 0.006 0.000 0.278 150 N C -1.389 174.394 175.510 0.456 0.000 1.146 150 N CA 0.107 53.434 53.050 0.462 0.000 0.980 150 N CB 0.527 39.224 38.487 0.351 0.000 1.124 150 N HN 0.722 nan 8.380 nan 0.000 0.458 151 Y N -1.722 118.744 120.300 0.277 0.000 2.553 151 Y HA 0.565 5.119 4.550 0.006 0.000 0.347 151 Y C -0.120 175.910 175.900 0.216 0.000 1.019 151 Y CA -1.337 56.877 58.100 0.189 0.000 1.032 151 Y CB 0.996 39.499 38.460 0.072 0.000 1.284 151 Y HN 0.188 nan 8.280 nan 0.000 0.466 152 R N 2.043 122.691 120.500 0.247 0.000 2.491 152 R HA 0.493 4.836 4.340 0.006 0.000 0.283 152 R C -0.281 176.193 176.300 0.290 0.000 1.072 152 R CA -0.286 55.912 56.100 0.163 0.000 1.048 152 R CB 0.939 31.290 30.300 0.084 0.000 0.983 152 R HN 0.724 nan 8.270 nan 0.000 0.450 153 V N 0.030 120.144 119.914 0.333 0.000 3.166 153 V HA 0.869 4.992 4.120 0.006 0.000 0.317 153 V C 0.798 177.223 176.094 0.551 0.000 1.136 153 V CA -0.147 62.471 62.300 0.532 0.000 1.035 153 V CB 1.143 33.173 31.823 0.345 0.000 1.110 153 V HN 0.963 nan 8.190 nan 0.000 0.450 154 G N 1.706 110.853 108.800 0.579 0.000 2.578 154 G HA2 -0.302 3.662 3.960 0.006 0.000 0.275 154 G HA3 -0.302 3.662 3.960 0.006 0.000 0.275 154 G C 1.008 176.045 174.900 0.228 0.000 1.271 154 G CA 1.584 46.937 45.100 0.420 0.000 0.941 154 G HN 2.334 nan 8.290 nan 0.000 0.564 155 T N -1.805 112.619 114.554 -0.217 0.000 2.699 155 T HA -0.137 4.217 4.350 0.006 0.000 0.268 155 T C 2.126 176.659 174.700 -0.279 0.000 1.036 155 T CA 2.635 64.356 62.100 -0.631 0.000 1.147 155 T CB -0.444 67.903 68.868 -0.869 0.000 0.862 155 T HN 0.595 nan 8.240 nan 0.000 0.446 156 F N 2.119 122.066 119.950 -0.005 0.000 2.216 156 F HA 0.226 4.756 4.527 0.006 0.000 0.300 156 F C 2.760 178.515 175.800 -0.074 0.000 1.085 156 F CA 0.748 58.686 58.000 -0.103 0.000 1.326 156 F CB -0.865 38.066 39.000 -0.115 0.000 1.027 156 F HN 0.371 nan 8.300 nan 0.000 0.497 157 G N -2.036 106.836 108.800 0.120 0.000 2.662 157 G HA2 0.028 3.991 3.960 0.006 0.000 0.212 157 G HA3 0.028 3.991 3.960 0.006 0.000 0.212 157 G C 0.913 175.405 174.900 -0.680 0.000 1.141 157 G CA 0.285 45.222 45.100 -0.271 0.000 0.797 157 G HN 0.358 nan 8.290 nan 0.000 0.531 158 F N -0.883 119.140 119.950 0.122 0.000 2.975 158 F HA 0.407 4.938 4.527 0.006 0.000 0.366 158 F C 0.471 176.335 175.800 0.107 0.000 1.071 158 F CA -0.964 57.090 58.000 0.090 0.000 1.102 158 F CB 0.344 39.398 39.000 0.090 0.000 1.176 158 F HN -0.077 nan 8.300 nan 0.000 0.545 159 L N 2.192 123.474 121.223 0.099 0.000 2.499 159 L HA 0.541 4.885 4.340 0.006 0.000 0.273 159 L C -0.116 176.752 176.870 -0.004 0.000 1.195 159 L CA 0.033 54.845 54.840 -0.046 0.000 0.882 159 L CB 0.475 42.240 42.059 -0.490 0.000 1.133 159 L HN 0.110 nan 8.230 nan 0.000 0.483 160 A N 6.122 128.968 122.820 0.043 0.000 2.422 160 A HA 0.628 4.951 4.320 0.006 0.000 0.302 160 A C -1.018 176.551 177.584 -0.026 0.000 1.041 160 A CA -0.597 51.441 52.037 0.001 0.000 0.708 160 A CB 1.339 20.367 19.000 0.046 0.000 1.257 160 A HN 0.737 nan 8.150 nan 0.000 0.414 161 L N 3.318 124.507 121.223 -0.057 0.000 2.504 161 L HA 0.302 4.646 4.340 0.006 0.000 0.249 161 L C -2.374 174.483 176.870 -0.023 0.000 1.120 161 L CA -1.768 53.044 54.840 -0.047 0.000 0.997 161 L CB 1.146 43.159 42.059 -0.076 0.000 1.349 161 L HN 0.408 nan 8.230 nan 0.000 0.439 162 P HA 0.068 nan 4.420 nan 0.000 0.262 162 P C 0.960 178.260 177.300 -0.000 0.000 1.182 162 P CA 0.757 63.858 63.100 0.001 0.000 0.761 162 P CB 0.917 32.620 31.700 0.004 0.000 0.795 163 G N 1.628 110.431 108.800 0.005 0.000 2.232 163 G HA2 -0.222 3.741 3.960 0.006 0.000 0.226 163 G HA3 -0.222 3.741 3.960 0.006 0.000 0.226 163 G C 0.390 175.291 174.900 0.003 0.000 0.996 163 G CA 0.221 45.324 45.100 0.005 0.000 0.626 163 G HN 0.805 nan 8.290 nan 0.000 0.509 164 S N -0.363 115.336 115.700 -0.002 0.000 2.632 164 S HA 0.668 5.141 4.470 0.006 0.000 0.267 164 S C 1.145 175.748 174.600 0.005 0.000 1.276 164 S CA 0.358 58.556 58.200 -0.004 0.000 0.998 164 S CB 2.118 65.307 63.200 -0.019 0.000 0.953 164 S HN 0.421 nan 8.310 nan 0.000 0.547 165 R N -0.033 120.471 120.500 0.007 0.000 2.140 165 R HA 0.063 4.407 4.340 0.006 0.000 0.213 165 R C 1.339 177.653 176.300 0.024 0.000 1.059 165 R CA 0.976 57.086 56.100 0.017 0.000 1.000 165 R CB -0.181 30.128 30.300 0.016 0.000 0.910 165 R HN 0.800 nan 8.270 nan 0.000 0.455 166 E N -0.530 119.680 120.200 0.017 0.000 2.318 166 E HA 0.092 4.446 4.350 0.006 0.000 0.193 166 E C -0.143 176.486 176.600 0.047 0.000 0.998 166 E CA 0.764 57.184 56.400 0.034 0.000 0.859 166 E CB 0.872 30.586 29.700 0.023 0.000 0.812 166 E HN 0.235 nan 8.360 nan 0.000 0.492 167 A N 0.947 123.771 122.820 0.006 0.000 3.266 167 A HA 0.279 4.602 4.320 0.006 0.000 0.310 167 A C -2.148 175.435 177.584 -0.001 0.000 1.066 167 A CA -0.967 51.067 52.037 -0.005 0.000 0.839 167 A CB 0.429 19.340 19.000 -0.149 0.000 1.192 167 A HN -0.083 nan 8.150 nan 0.000 0.496 168 P HA 0.103 nan 4.420 nan 0.000 0.230 168 P C 0.919 178.237 177.300 0.032 0.000 1.158 168 P CA 1.836 64.954 63.100 0.030 0.000 0.769 168 P CB 0.116 31.843 31.700 0.045 0.000 0.807 169 G N 0.680 109.497 108.800 0.028 0.000 2.707 169 G HA2 -0.180 3.784 3.960 0.006 0.000 0.686 169 G HA3 -0.180 3.784 3.960 0.006 0.000 0.686 169 G C -0.088 174.814 174.900 0.003 0.000 1.315 169 G CA -0.309 44.809 45.100 0.031 0.000 0.832 169 G HN 0.114 nan 8.290 nan 0.000 0.573 170 N N -2.325 116.368 118.700 -0.011 0.000 2.713 170 N HA -0.291 4.452 4.740 0.006 0.000 0.251 170 N C 1.962 177.342 175.510 -0.217 0.000 1.117 170 N CA 2.449 55.427 53.050 -0.121 0.000 0.770 170 N CB -1.644 36.699 38.487 -0.240 0.000 1.137 170 N HN 1.937 nan 8.380 nan 0.000 0.566 171 V N -2.556 117.230 119.914 -0.213 0.000 2.594 171 V HA -0.065 4.059 4.120 0.006 0.000 0.253 171 V C 2.328 178.291 176.094 -0.218 0.000 1.069 171 V CA 2.361 64.574 62.300 -0.146 0.000 1.082 171 V CB -0.981 30.799 31.823 -0.070 0.000 0.680 171 V HN 0.287 nan 8.190 nan 0.000 0.469 172 G N 0.645 109.092 108.800 -0.588 0.000 2.421 172 G HA2 -0.185 3.778 3.960 0.006 0.000 0.216 172 G HA3 -0.185 3.778 3.960 0.006 0.000 0.216 172 G C 1.558 176.417 174.900 -0.069 0.000 1.171 172 G CA 1.269 46.134 45.100 -0.391 0.000 0.775 172 G HN 0.547 nan 8.290 nan 0.000 0.543 173 L N -0.084 121.070 121.223 -0.115 0.000 2.083 173 L HA 0.022 4.365 4.340 0.006 0.000 0.209 173 L C 2.829 179.783 176.870 0.140 0.000 1.083 173 L CA 0.445 55.218 54.840 -0.111 0.000 0.752 173 L CB -0.313 41.356 42.059 -0.651 0.000 0.899 173 L HN 0.181 nan 8.230 nan 0.000 0.433 174 L N -0.666 120.638 121.223 0.135 0.000 2.217 174 L HA -0.171 4.173 4.340 0.006 0.000 0.211 174 L C 2.076 179.078 176.870 0.220 0.000 1.107 174 L CA 0.700 55.694 54.840 0.257 0.000 0.783 174 L CB -0.528 41.650 42.059 0.199 0.000 0.919 174 L HN 0.268 nan 8.230 nan 0.000 0.442 175 D N -0.092 120.420 120.400 0.186 0.000 2.144 175 D HA -0.184 4.459 4.640 0.006 0.000 0.200 175 D C 2.262 178.746 176.300 0.307 0.000 0.978 175 D CA 1.088 55.265 54.000 0.295 0.000 0.833 175 D CB -0.068 40.909 40.800 0.295 0.000 0.961 175 D HN 0.379 nan 8.370 nan 0.000 0.470 176 Q N 0.001 119.906 119.800 0.175 0.000 2.119 176 Q HA -0.071 4.273 4.340 0.006 0.000 0.201 176 Q C 2.254 178.261 176.000 0.012 0.000 0.972 176 Q CA 0.739 56.563 55.803 0.036 0.000 0.847 176 Q CB 0.072 28.806 28.738 -0.008 0.000 0.903 176 Q HN 0.164 nan 8.270 nan 0.000 0.433 177 R N 0.636 121.239 120.500 0.172 0.000 2.092 177 R HA -0.128 4.215 4.340 0.006 0.000 0.231 177 R C 2.149 178.514 176.300 0.108 0.000 1.119 177 R CA 0.835 57.026 56.100 0.151 0.000 0.970 177 R CB -0.156 30.323 30.300 0.298 0.000 0.864 177 R HN 0.226 nan 8.270 nan 0.000 0.440 178 L N 0.713 122.037 121.223 0.169 0.000 2.201 178 L HA 0.008 4.351 4.340 0.006 0.000 0.212 178 L C 2.074 179.032 176.870 0.147 0.000 1.105 178 L CA 1.803 56.772 54.840 0.214 0.000 0.775 178 L CB -0.298 41.958 42.059 0.327 0.000 0.913 178 L HN 0.200 nan 8.230 nan 0.000 0.440 179 A N -0.689 122.062 122.820 -0.115 0.000 1.930 179 A HA -0.040 4.284 4.320 0.006 0.000 0.215 179 A C 2.155 179.685 177.584 -0.091 0.000 1.176 179 A CA 1.369 53.130 52.037 -0.459 0.000 0.632 179 A CB -0.614 17.831 19.000 -0.923 0.000 0.819 179 A HN 0.456 nan 8.150 nan 0.000 0.445 180 L N -1.027 120.159 121.223 -0.061 0.000 2.046 180 L HA -0.249 4.095 4.340 0.006 0.000 0.208 180 L C 2.833 179.750 176.870 0.077 0.000 1.077 180 L CA 1.707 56.545 54.840 -0.005 0.000 0.747 180 L CB -0.801 41.215 42.059 -0.071 0.000 0.896 180 L HN 0.468 nan 8.230 nan 0.000 0.432 181 Q N -0.745 119.114 119.800 0.098 0.000 2.061 181 Q HA -0.271 4.073 4.340 0.006 0.000 0.204 181 Q C 2.051 178.139 176.000 0.147 0.000 0.984 181 Q CA 2.210 58.081 55.803 0.113 0.000 0.846 181 Q CB -0.302 28.511 28.738 0.125 0.000 0.902 181 Q HN 0.500 nan 8.270 nan 0.000 0.421 182 W N -0.078 121.240 121.300 0.029 0.000 2.325 182 W HA -0.265 4.398 4.660 0.005 0.000 0.299 182 W C 1.782 178.328 176.519 0.045 0.000 1.215 182 W CA 1.472 58.849 57.345 0.053 0.000 1.244 182 W CB -0.171 29.325 29.460 0.059 0.000 1.140 182 W HN -0.076 nan 8.180 nan 0.000 0.523 183 V N 0.674 120.765 119.914 0.296 0.000 2.261 183 V HA -0.359 3.765 4.120 0.006 0.000 0.246 183 V C 2.598 178.692 176.094 0.001 0.000 1.047 183 V CA 2.140 64.541 62.300 0.168 0.000 1.015 183 V CB -1.122 30.818 31.823 0.194 0.000 0.642 183 V HN 0.169 nan 8.190 nan 0.000 0.446 184 Q N -0.094 119.719 119.800 0.022 0.000 2.082 184 Q HA -0.319 4.024 4.340 0.006 0.000 0.211 184 Q C 2.251 178.210 176.000 -0.068 0.000 1.002 184 Q CA 2.560 58.363 55.803 -0.001 0.000 0.868 184 Q CB -0.483 28.264 28.738 0.015 0.000 0.931 184 Q HN 0.828 nan 8.270 nan 0.000 0.414 185 E N -0.281 119.842 120.200 -0.129 0.000 2.072 185 E HA -0.111 4.242 4.350 0.006 0.000 0.191 185 E C 1.226 177.667 176.600 -0.265 0.000 0.985 185 E CA 1.081 57.374 56.400 -0.179 0.000 0.801 185 E CB 0.223 29.812 29.700 -0.185 0.000 0.750 185 E HN 0.317 nan 8.360 nan 0.000 0.452 186 N N -0.276 118.155 118.700 -0.448 0.000 2.257 186 N HA -0.003 4.741 4.740 0.006 0.000 0.200 186 N C 1.478 176.843 175.510 -0.241 0.000 1.163 186 N CA 0.040 52.776 53.050 -0.524 0.000 0.891 186 N CB 0.318 38.119 38.487 -1.144 0.000 1.067 186 N HN 0.138 nan 8.380 nan 0.000 0.497 187 I N 2.507 122.997 120.570 -0.133 0.000 2.335 187 I HA -0.156 4.018 4.170 0.006 0.000 0.251 187 I C 2.203 178.430 176.117 0.183 0.000 1.129 187 I CA 0.605 61.980 61.300 0.125 0.000 1.402 187 I CB -0.305 37.755 38.000 0.099 0.000 1.069 187 I HN 0.063 nan 8.210 nan 0.000 0.424 188 A N 0.436 123.282 122.820 0.042 0.000 1.908 188 A HA -0.197 4.127 4.320 0.006 0.000 0.218 188 A C 2.496 180.063 177.584 -0.029 0.000 1.181 188 A CA 1.785 53.830 52.037 0.013 0.000 0.627 188 A CB -1.288 17.694 19.000 -0.030 0.000 0.818 188 A HN 0.498 nan 8.150 nan 0.000 0.445 189 A N -1.775 120.970 122.820 -0.125 0.000 2.148 189 A HA -0.040 4.283 4.320 0.006 0.000 0.222 189 A C 1.503 178.806 177.584 -0.468 0.000 1.161 189 A CA 1.572 53.406 52.037 -0.339 0.000 0.662 189 A CB -0.711 17.979 19.000 -0.516 0.000 0.799 189 A HN 0.561 nan 8.150 nan 0.000 0.466 190 F N -2.151 117.747 119.950 -0.087 0.000 2.682 190 F HA 0.417 4.948 4.527 0.006 0.000 0.308 190 F C 1.640 177.444 175.800 0.007 0.000 1.093 190 F CA 0.432 58.401 58.000 -0.053 0.000 1.244 190 F CB 0.488 39.467 39.000 -0.035 0.000 1.052 190 F HN 0.293 nan 8.300 nan 0.000 0.573 191 G N 0.558 109.442 108.800 0.140 0.000 2.134 191 G HA2 -0.125 3.838 3.960 0.006 0.000 0.209 191 G HA3 -0.125 3.838 3.960 0.006 0.000 0.209 191 G C 0.467 175.431 174.900 0.107 0.000 0.993 191 G CA -0.342 44.816 45.100 0.097 0.000 0.669 191 G HN 0.695 nan 8.290 nan 0.000 0.519 192 G N -0.405 108.474 108.800 0.132 0.000 2.377 192 G HA2 0.489 4.452 3.960 0.006 0.000 0.299 192 G HA3 0.489 4.452 3.960 0.006 0.000 0.299 192 G C -0.663 174.281 174.900 0.074 0.000 1.150 192 G CA 0.088 45.255 45.100 0.112 0.000 0.847 192 G HN 0.192 nan 8.290 nan 0.000 0.501 193 D N 2.221 122.657 120.400 0.061 0.000 2.411 193 D HA 0.233 4.876 4.640 0.006 0.000 0.225 193 D C -1.192 175.144 176.300 0.061 0.000 1.156 193 D CA -2.336 51.687 54.000 0.039 0.000 0.874 193 D CB 1.716 42.524 40.800 0.013 0.000 1.034 193 D HN 0.090 nan 8.370 nan 0.000 0.502 194 P HA -0.039 nan 4.420 nan 0.000 0.242 194 P C 0.895 178.300 177.300 0.175 0.000 1.197 194 P CA 0.472 63.635 63.100 0.104 0.000 0.765 194 P CB 0.065 31.802 31.700 0.061 0.000 0.936 195 M N -1.524 118.122 119.600 0.076 0.000 2.453 195 M HA 0.145 4.629 4.480 0.006 0.000 0.239 195 M C 0.570 176.626 176.300 -0.407 0.000 1.151 195 M CA 0.398 55.660 55.300 -0.063 0.000 0.989 195 M CB 0.246 32.777 32.600 -0.114 0.000 1.548 195 M HN -0.163 nan 8.290 nan 0.000 0.479 196 S N 1.171 116.834 115.700 -0.062 0.000 2.386 196 S HA 0.390 4.864 4.470 0.006 0.000 0.152 196 S C -1.064 173.655 174.600 0.198 0.000 1.511 196 S CA -0.406 57.777 58.200 -0.028 0.000 1.246 196 S CB 0.537 63.694 63.200 -0.072 0.000 1.338 196 S HN 0.047 nan 8.310 nan 0.000 0.409 197 V N 3.719 123.914 119.914 0.468 0.000 2.378 197 V HA 0.501 4.625 4.120 0.006 0.000 0.288 197 V C 0.124 176.395 176.094 0.295 0.000 1.016 197 V CA -0.355 62.124 62.300 0.299 0.000 0.840 197 V CB 1.696 33.658 31.823 0.231 0.000 0.994 197 V HN 0.687 nan 8.190 nan 0.000 0.431 198 T N 6.864 121.545 114.554 0.211 0.000 2.767 198 T HA 0.558 4.912 4.350 0.006 0.000 0.284 198 T C -0.117 174.715 174.700 0.219 0.000 0.973 198 T CA -0.289 61.943 62.100 0.219 0.000 0.996 198 T CB 0.711 69.666 68.868 0.146 0.000 0.927 198 T HN 0.337 nan 8.240 nan 0.000 0.456 199 L N 5.271 126.602 121.223 0.181 0.000 2.331 199 L HA 0.599 4.942 4.340 0.006 0.000 0.278 199 L C -0.314 176.750 176.870 0.323 0.000 1.106 199 L CA -0.756 54.152 54.840 0.113 0.000 0.824 199 L CB 0.204 42.106 42.059 -0.263 0.000 1.142 199 L HN 0.602 nan 8.230 nan 0.000 0.443 200 F N 0.800 120.811 119.950 0.102 0.000 2.588 200 F HA 0.984 5.514 4.527 0.005 0.000 0.314 200 F C -0.209 175.557 175.800 -0.058 0.000 1.069 200 F CA -1.721 56.382 58.000 0.172 0.000 0.931 200 F CB 1.602 40.857 39.000 0.425 0.000 1.260 200 F HN 0.461 nan 8.300 nan 0.000 0.465 201 G N 0.953 109.598 108.800 -0.259 0.000 2.576 201 G HA2 0.494 4.458 3.960 0.006 0.000 0.290 201 G HA3 0.494 4.458 3.960 0.006 0.000 0.290 201 G C -2.407 172.238 174.900 -0.425 0.000 1.442 201 G CA -0.716 43.803 45.100 -0.967 0.000 0.792 201 G HN 0.899 nan 8.290 nan 0.000 0.491 205 G N 0.414 108.998 108.800 -0.359 0.000 2.403 205 G HA2 0.197 4.161 3.960 0.006 0.000 0.216 205 G HA3 0.197 4.161 3.960 0.006 0.000 0.216 205 G C 1.584 176.293 174.900 -0.318 0.000 1.154 205 G CA 1.510 46.350 45.100 -0.433 0.000 0.784 205 G HN 1.131 nan 8.290 nan 0.000 0.538 206 A N 1.240 123.951 122.820 -0.182 0.000 1.898 206 A HA 0.344 4.667 4.320 0.006 0.000 0.216 206 A C 2.797 180.350 177.584 -0.052 0.000 1.181 206 A CA 2.017 54.007 52.037 -0.078 0.000 0.620 206 A CB -0.749 18.265 19.000 0.025 0.000 0.819 206 A HN 0.705 nan 8.150 nan 0.000 0.442 207 A N -0.301 122.507 122.820 -0.019 0.000 1.940 207 A HA -0.090 4.234 4.320 0.006 0.000 0.219 207 A C 2.431 179.995 177.584 -0.034 0.000 1.176 207 A CA 2.130 54.147 52.037 -0.035 0.000 0.631 207 A CB -0.844 18.157 19.000 0.001 0.000 0.814 207 A HN 0.459 nan 8.150 nan 0.000 0.446 208 S N -0.407 115.259 115.700 -0.057 0.000 2.348 208 S HA -0.146 4.327 4.470 0.006 0.000 0.221 208 S C 1.904 176.490 174.600 -0.024 0.000 1.033 208 S CA 1.426 59.575 58.200 -0.085 0.000 1.010 208 S CB -0.635 62.443 63.200 -0.203 0.000 0.891 208 S HN 0.343 nan 8.310 nan 0.000 0.442 209 V N 1.869 121.754 119.914 -0.047 0.000 2.282 209 V HA -0.220 3.904 4.120 0.006 0.000 0.249 209 V C 2.630 178.730 176.094 0.009 0.000 1.057 209 V CA 2.068 64.344 62.300 -0.040 0.000 1.032 209 V CB -1.557 30.217 31.823 -0.080 0.000 0.645 209 V HN 0.614 nan 8.190 nan 0.000 0.447 210 G N -1.072 107.722 108.800 -0.011 0.000 2.440 210 G HA2 -0.303 3.660 3.960 0.006 0.000 0.218 210 G HA3 -0.303 3.660 3.960 0.006 0.000 0.218 210 G C 1.617 176.532 174.900 0.025 0.000 1.154 210 G CA 1.225 46.321 45.100 -0.007 0.000 0.767 210 G HN 0.457 nan 8.290 nan 0.000 0.552 211 M N -0.249 119.345 119.600 -0.011 0.000 2.254 211 M HA 0.038 4.522 4.480 0.006 0.000 0.265 211 M C 2.314 178.669 176.300 0.091 0.000 1.066 211 M CA 0.829 56.138 55.300 0.015 0.000 1.123 211 M CB -0.202 32.356 32.600 -0.071 0.000 1.388 211 M HN 0.220 nan 8.290 nan 0.000 0.425 212 H N -0.139 119.031 119.070 0.167 0.000 2.387 212 H HA -0.052 4.507 4.556 0.005 0.000 0.299 212 H C 2.127 177.680 175.328 0.374 0.000 1.090 212 H CA 1.555 57.724 56.048 0.202 0.000 1.332 212 H CB -0.396 29.330 29.762 -0.060 0.000 1.386 212 H HN 0.399 nan 8.280 nan 0.000 0.516 213 I N 0.687 121.535 120.570 0.464 0.000 2.423 213 I HA -0.241 3.932 4.170 0.006 0.000 0.254 213 I C 1.963 178.270 176.117 0.316 0.000 1.151 213 I CA 1.024 62.591 61.300 0.445 0.000 1.421 213 I CB -0.033 38.122 38.000 0.258 0.000 1.079 213 I HN 0.132 nan 8.210 nan 0.000 0.431 214 L N -1.261 120.106 121.223 0.241 0.000 2.616 214 L HA 0.142 4.486 4.340 0.006 0.000 0.229 214 L C 0.916 177.870 176.870 0.141 0.000 1.110 214 L CA 0.014 54.978 54.840 0.206 0.000 0.884 214 L CB 0.233 42.384 42.059 0.154 0.000 1.115 214 L HN 0.009 nan 8.230 nan 0.000 0.481 215 S N -0.296 115.471 115.700 0.111 0.000 2.449 215 S HA 0.252 4.726 4.470 0.006 0.000 0.310 215 S C 0.567 175.135 174.600 -0.054 0.000 1.096 215 S CA -0.596 57.577 58.200 -0.045 0.000 1.095 215 S CB 1.684 64.698 63.200 -0.311 0.000 1.007 215 S HN 0.121 nan 8.310 nan 0.000 0.474 216 L N 7.422 128.600 121.223 -0.075 0.000 2.017 216 L HA 0.188 4.532 4.340 0.006 0.000 0.208 216 L C -1.048 175.786 176.870 -0.060 0.000 1.073 216 L CA 1.896 56.705 54.840 -0.051 0.000 0.745 216 L CB -1.132 40.898 42.059 -0.050 0.000 0.894 216 L HN 0.504 nan 8.230 nan 0.000 0.432 217 P HA -0.099 nan 4.420 nan 0.000 0.220 217 P C 1.364 178.649 177.300 -0.026 0.000 1.144 217 P CA 1.458 64.514 63.100 -0.074 0.000 0.800 217 P CB 0.020 31.654 31.700 -0.111 0.000 0.772 218 S N -1.488 114.214 115.700 0.005 0.000 2.503 218 S HA 0.087 4.561 4.470 0.006 0.000 0.217 218 S C 1.750 176.504 174.600 0.255 0.000 0.999 218 S CA 0.010 58.312 58.200 0.170 0.000 0.914 218 S CB -0.217 63.193 63.200 0.350 0.000 0.782 218 S HN 0.046 nan 8.310 nan 0.000 0.520 219 R N 2.234 122.789 120.500 0.092 0.000 2.193 219 R HA 0.008 4.352 4.340 0.006 0.000 0.229 219 R C 2.112 178.231 176.300 -0.303 0.000 1.110 219 R CA 1.202 57.210 56.100 -0.153 0.000 0.988 219 R CB -0.909 29.326 30.300 -0.109 0.000 0.871 219 R HN 0.539 nan 8.270 nan 0.000 0.458 220 S N -0.454 115.164 115.700 -0.137 0.000 2.671 220 S HA 0.113 4.587 4.470 0.006 0.000 0.220 220 S C 1.343 175.868 174.600 -0.126 0.000 0.951 220 S CA -0.035 58.085 58.200 -0.135 0.000 0.932 220 S CB -0.059 63.102 63.200 -0.064 0.000 0.777 220 S HN 0.232 nan 8.310 nan 0.000 0.508 221 L N 0.695 121.869 121.223 -0.081 0.000 2.906 221 L HA 0.523 4.867 4.340 0.006 0.000 0.255 221 L C -0.341 176.571 176.870 0.070 0.000 1.166 221 L CA -0.459 54.396 54.840 0.025 0.000 0.977 221 L CB 0.184 42.311 42.059 0.113 0.000 1.313 221 L HN 0.525 nan 8.230 nan 0.000 0.549 222 F N -4.109 115.617 119.950 -0.372 0.000 2.807 222 F HA 0.448 4.978 4.527 0.005 0.000 0.316 222 F C 0.138 175.591 175.800 -0.578 0.000 1.162 222 F CA -1.014 56.716 58.000 -0.449 0.000 0.910 222 F CB 0.745 39.657 39.000 -0.147 0.000 1.314 222 F HN -0.149 nan 8.300 nan 0.000 0.454 223 H N -0.594 118.506 119.070 0.050 0.000 2.735 223 H HA 0.430 4.989 4.556 0.005 0.000 0.250 223 H C -0.051 175.293 175.328 0.027 0.000 0.948 223 H CA -0.034 55.974 56.048 -0.067 0.000 1.137 223 H CB 0.789 30.525 29.762 -0.044 0.000 1.440 223 H HN 0.414 nan 8.280 nan 0.000 0.444 224 R N 0.465 121.134 120.500 0.280 0.000 2.919 224 R HA 0.744 5.087 4.340 0.006 0.000 0.260 224 R C -1.116 175.456 176.300 0.454 0.000 1.067 224 R CA -0.626 55.632 56.100 0.264 0.000 1.003 224 R CB 2.527 32.809 30.300 -0.030 0.000 1.192 224 R HN 0.189 nan 8.270 nan 0.000 0.488 225 A N 0.812 123.921 122.820 0.481 0.000 2.517 225 A HA 0.576 4.899 4.320 0.006 0.000 0.297 225 A C -1.502 176.220 177.584 0.229 0.000 1.050 225 A CA -0.616 51.627 52.037 0.343 0.000 0.694 225 A CB 1.658 20.847 19.000 0.315 0.000 1.277 225 A HN 0.341 nan 8.150 nan 0.000 0.400 226 V N 2.484 122.503 119.914 0.175 0.000 2.448 226 V HA 0.519 4.642 4.120 0.006 0.000 0.295 226 V C -0.970 175.214 176.094 0.150 0.000 1.025 226 V CA -0.353 61.999 62.300 0.086 0.000 0.859 226 V CB 1.220 33.132 31.823 0.147 0.000 0.988 226 V HN 0.683 nan 8.190 nan 0.000 0.431 227 L N 5.357 126.638 121.223 0.095 0.000 2.324 227 L HA 0.489 4.833 4.340 0.006 0.000 0.274 227 L C 0.065 177.026 176.870 0.151 0.000 1.012 227 L CA 0.056 54.948 54.840 0.087 0.000 0.859 227 L CB 1.398 43.467 42.059 0.017 0.000 1.224 227 L HN 0.639 nan 8.230 nan 0.000 0.429 228 Q N 2.032 121.972 119.800 0.234 0.000 2.360 228 Q HA 0.441 4.785 4.340 0.006 0.000 0.254 228 Q C 0.218 176.331 176.000 0.189 0.000 0.975 228 Q CA -0.488 55.502 55.803 0.310 0.000 0.912 228 Q CB 1.089 30.101 28.738 0.457 0.000 1.212 228 Q HN 0.594 nan 8.270 nan 0.000 0.452 229 S N 0.908 116.707 115.700 0.165 0.000 3.682 229 S HA -0.150 4.324 4.470 0.006 0.000 0.354 229 S C 0.034 174.799 174.600 0.274 0.000 1.034 229 S CA 0.508 58.831 58.200 0.204 0.000 1.084 229 S CB -1.211 62.109 63.200 0.200 0.000 0.903 229 S HN 0.992 nan 8.310 nan 0.000 0.470 230 G N -0.396 108.531 108.800 0.212 0.000 2.632 230 G HA2 0.713 4.677 3.960 0.006 0.000 0.292 230 G HA3 0.713 4.677 3.960 0.006 0.000 0.292 230 G C -0.943 174.012 174.900 0.092 0.000 1.465 230 G CA 0.193 45.463 45.100 0.284 0.000 0.824 230 G HN 0.896 nan 8.290 nan 0.000 0.509 231 T N -1.367 113.175 114.554 -0.019 0.000 2.889 231 T HA 0.698 5.052 4.350 0.006 0.000 0.315 231 T C -2.410 172.139 174.700 -0.252 0.000 1.291 231 T CA -1.361 60.660 62.100 -0.132 0.000 1.028 231 T CB 2.889 71.670 68.868 -0.145 0.000 1.235 231 T HN 0.268 nan 8.240 nan 0.000 0.491 232 P HA -0.015 nan 4.420 nan 0.000 0.218 232 P C 0.367 177.514 177.300 -0.254 0.000 1.152 232 P CA 0.676 63.655 63.100 -0.203 0.000 0.826 232 P CB -0.140 31.493 31.700 -0.112 0.000 0.790 233 N N 0.875 119.448 118.700 -0.211 0.000 2.371 233 N HA 0.253 4.996 4.740 0.006 0.000 0.243 233 N C 0.777 176.100 175.510 -0.311 0.000 1.287 233 N CA 0.884 53.810 53.050 -0.207 0.000 0.911 233 N CB 0.016 38.421 38.487 -0.137 0.000 1.142 233 N HN 0.254 nan 8.380 nan 0.000 0.451 234 G N -0.554 108.076 108.800 -0.282 0.000 2.479 234 G HA2 -0.107 3.856 3.960 0.006 0.000 0.686 234 G HA3 -0.107 3.856 3.960 0.006 0.000 0.686 234 G C -2.256 172.416 174.900 -0.380 0.000 1.295 234 G CA -0.261 44.627 45.100 -0.353 0.000 0.922 234 G HN 0.512 nan 8.290 nan 0.000 0.582 235 P HA 0.087 nan 4.420 nan 0.000 0.233 235 P C 1.359 178.618 177.300 -0.068 0.000 1.167 235 P CA 2.024 65.000 63.100 -0.206 0.000 0.770 235 P CB -0.049 31.497 31.700 -0.257 0.000 0.837 236 W N -1.951 119.326 121.300 -0.038 0.000 2.865 236 W HA 0.583 5.246 4.660 0.004 0.000 0.300 236 W C 0.940 177.612 176.519 0.255 0.000 1.096 236 W CA 0.387 57.817 57.345 0.141 0.000 1.524 236 W CB -0.654 29.003 29.460 0.328 0.000 0.991 236 W HN -0.169 nan 8.180 nan 0.000 0.571 237 A N 1.955 124.524 122.820 -0.418 0.000 2.208 237 A HA 0.227 4.551 4.320 0.006 0.000 0.209 237 A C 0.929 178.377 177.584 -0.228 0.000 1.161 237 A CA 1.584 53.441 52.037 -0.300 0.000 0.782 237 A CB -0.677 17.900 19.000 -0.706 0.000 0.816 237 A HN 0.211 nan 8.150 nan 0.000 0.477 238 T N -3.106 111.339 114.554 -0.180 0.000 2.843 238 T HA 0.601 4.954 4.350 0.006 0.000 0.302 238 T C -0.839 173.795 174.700 -0.111 0.000 1.232 238 T CA -0.138 61.855 62.100 -0.177 0.000 1.009 238 T CB 1.473 70.242 68.868 -0.167 0.000 1.254 238 T HN 0.830 nan 8.240 nan 0.000 0.504 239 V N -1.177 118.676 119.914 -0.102 0.000 2.841 239 V HA 0.865 4.988 4.120 0.006 0.000 0.310 239 V C 0.272 176.333 176.094 -0.056 0.000 1.090 239 V CA -0.973 61.284 62.300 -0.071 0.000 0.930 239 V CB 1.339 33.121 31.823 -0.068 0.000 1.014 239 V HN 1.363 nan 8.190 nan 0.000 0.425 240 S N 2.634 118.307 115.700 -0.046 0.000 2.572 240 S HA 0.496 4.969 4.470 0.006 0.000 0.279 240 S C 1.496 176.080 174.600 -0.026 0.000 1.341 240 S CA 0.148 58.328 58.200 -0.034 0.000 1.043 240 S CB 1.286 64.467 63.200 -0.031 0.000 0.887 240 S HN 2.006 nan 8.310 nan 0.000 0.516 241 A N 3.306 126.116 122.820 -0.017 0.000 1.917 241 A HA 0.018 4.341 4.320 0.006 0.000 0.219 241 A C 2.207 179.784 177.584 -0.012 0.000 1.182 241 A CA 1.989 54.020 52.037 -0.010 0.000 0.633 241 A CB -1.806 17.191 19.000 -0.005 0.000 0.819 241 A HN 1.185 nan 8.150 nan 0.000 0.448 242 G N -0.706 108.084 108.800 -0.016 0.000 2.402 242 G HA2 -0.189 3.774 3.960 0.006 0.000 0.216 242 G HA3 -0.189 3.774 3.960 0.006 0.000 0.216 242 G C 1.474 176.361 174.900 -0.022 0.000 1.162 242 G CA 1.313 46.403 45.100 -0.017 0.000 0.777 242 G HN 0.572 nan 8.290 nan 0.000 0.539 243 E N 1.218 121.401 120.200 -0.029 0.000 2.047 243 E HA 0.050 4.403 4.350 0.006 0.000 0.191 243 E C 2.660 179.234 176.600 -0.044 0.000 0.987 243 E CA 1.458 57.834 56.400 -0.040 0.000 0.799 243 E CB -0.670 29.001 29.700 -0.047 0.000 0.752 243 E HN 0.251 nan 8.360 nan 0.000 0.449 244 A N 0.847 123.647 122.820 -0.032 0.000 1.978 244 A HA -0.195 4.128 4.320 0.006 0.000 0.220 244 A C 2.285 179.877 177.584 0.013 0.000 1.170 244 A CA 1.765 53.796 52.037 -0.010 0.000 0.636 244 A CB -0.617 18.390 19.000 0.012 0.000 0.810 244 A HN 0.274 nan 8.150 nan 0.000 0.448 245 R N -0.797 119.702 120.500 -0.002 0.000 2.090 245 R HA -0.024 4.319 4.340 0.006 0.000 0.228 245 R C 2.390 178.687 176.300 -0.005 0.000 1.110 245 R CA 1.085 57.183 56.100 -0.004 0.000 0.973 245 R CB -0.259 30.034 30.300 -0.011 0.000 0.869 245 R HN 0.507 nan 8.270 nan 0.000 0.440 246 R N 0.403 120.895 120.500 -0.014 0.000 2.070 246 R HA -0.097 4.246 4.340 0.006 0.000 0.233 246 R C 2.285 178.578 176.300 -0.013 0.000 1.137 246 R CA 1.751 57.840 56.100 -0.018 0.000 0.945 246 R CB -0.041 30.243 30.300 -0.028 0.000 0.845 246 R HN 0.237 nan 8.270 nan 0.000 0.430 247 R N -0.219 120.264 120.500 -0.028 0.000 2.081 247 R HA -0.072 4.272 4.340 0.006 0.000 0.235 247 R C 2.336 178.701 176.300 0.109 0.000 1.131 247 R CA 1.360 57.434 56.100 -0.043 0.000 0.960 247 R CB -0.392 29.766 30.300 -0.237 0.000 0.856 247 R HN 0.218 nan 8.270 nan 0.000 0.436 248 A N 0.699 123.613 122.820 0.157 0.000 1.902 248 A HA -0.163 4.161 4.320 0.006 0.000 0.217 248 A C 2.175 179.775 177.584 0.027 0.000 1.181 248 A CA 1.998 54.117 52.037 0.137 0.000 0.623 248 A CB -0.843 18.178 19.000 0.036 0.000 0.818 248 A HN 0.300 nan 8.150 nan 0.000 0.443 249 T N 0.151 114.710 114.554 0.007 0.000 2.737 249 T HA -0.120 4.234 4.350 0.006 0.000 0.265 249 T C 1.838 176.536 174.700 -0.003 0.000 1.038 249 T CA 1.403 63.495 62.100 -0.014 0.000 1.144 249 T CB -0.378 68.480 68.868 -0.016 0.000 0.866 249 T HN 0.287 nan 8.240 nan 0.000 0.434 250 L N 1.349 122.580 121.223 0.014 0.000 2.012 250 L HA 0.058 4.401 4.340 0.006 0.000 0.210 250 L C 2.237 179.127 176.870 0.033 0.000 1.073 250 L CA 1.547 56.398 54.840 0.019 0.000 0.748 250 L CB -1.300 40.770 42.059 0.018 0.000 0.891 250 L HN 0.234 nan 8.230 nan 0.000 0.431 251 L N -0.252 121.017 121.223 0.077 0.000 2.042 251 L HA -0.137 4.207 4.340 0.006 0.000 0.210 251 L C 2.502 179.365 176.870 -0.011 0.000 1.076 251 L CA 1.937 56.825 54.840 0.079 0.000 0.749 251 L CB -0.725 41.437 42.059 0.171 0.000 0.893 251 L HN 0.312 nan 8.230 nan 0.000 0.432 252 A N -0.196 122.606 122.820 -0.029 0.000 1.865 252 A HA -0.270 4.054 4.320 0.006 0.000 0.217 252 A C 2.389 179.940 177.584 -0.056 0.000 1.191 252 A CA 2.061 54.063 52.037 -0.057 0.000 0.623 252 A CB -0.645 18.316 19.000 -0.065 0.000 0.826 252 A HN 0.502 nan 8.150 nan 0.000 0.444 253 R N -0.552 119.923 120.500 -0.042 0.000 2.091 253 R HA -0.106 4.237 4.340 0.006 0.000 0.238 253 R C 2.091 178.349 176.300 -0.071 0.000 1.136 253 R CA 1.608 57.682 56.100 -0.043 0.000 0.959 253 R CB -0.586 29.699 30.300 -0.025 0.000 0.856 253 R HN 0.547 nan 8.270 nan 0.000 0.437 254 L N 0.590 121.758 121.223 -0.092 0.000 2.079 254 L HA -0.140 4.203 4.340 0.006 0.000 0.210 254 L C 2.261 178.910 176.870 -0.368 0.000 1.081 254 L CA 1.142 55.870 54.840 -0.186 0.000 0.752 254 L CB -0.512 41.461 42.059 -0.144 0.000 0.896 254 L HN 0.209 nan 8.230 nan 0.000 0.433 255 V N -3.494 116.253 119.914 -0.278 0.000 3.608 255 V HA 0.429 4.552 4.120 0.006 0.000 0.269 255 V C 0.965 177.005 176.094 -0.091 0.000 1.245 255 V CA 0.281 62.453 62.300 -0.212 0.000 1.138 255 V CB -0.318 31.439 31.823 -0.110 0.000 0.841 255 V HN 0.475 nan 8.190 nan 0.000 0.451 256 G N -0.460 108.294 108.800 -0.077 0.000 2.970 256 G HA2 -0.100 3.864 3.960 0.006 0.000 0.249 256 G HA3 -0.100 3.864 3.960 0.006 0.000 0.249 256 G C -0.413 174.469 174.900 -0.029 0.000 1.113 256 G CA -0.303 44.773 45.100 -0.041 0.000 1.119 256 G HN 0.842 nan 8.290 nan 0.000 0.552 266 D N 1.408 121.794 120.400 -0.024 0.000 2.178 266 D HA -0.083 4.560 4.640 0.006 0.000 0.201 266 D C 1.501 177.780 176.300 -0.036 0.000 0.980 266 D CA 1.683 55.661 54.000 -0.036 0.000 0.842 266 D CB 0.184 40.962 40.800 -0.036 0.000 0.948 266 D HN 0.575 nan 8.370 nan 0.000 0.472 267 T N 0.754 115.295 114.554 -0.021 0.000 2.708 267 T HA -0.145 4.208 4.350 0.006 0.000 0.266 267 T C 1.822 176.515 174.700 -0.011 0.000 1.037 267 T CA 1.141 63.233 62.100 -0.012 0.000 1.146 267 T CB -0.200 68.666 68.868 -0.004 0.000 0.865 267 T HN 0.281 nan 8.240 nan 0.000 0.435 268 E N 0.324 120.516 120.200 -0.013 0.000 2.077 268 E HA -0.079 4.274 4.350 0.006 0.000 0.193 268 E C 2.132 178.721 176.600 -0.019 0.000 0.989 268 E CA 0.716 57.109 56.400 -0.011 0.000 0.800 268 E CB -0.222 29.471 29.700 -0.011 0.000 0.746 268 E HN 0.218 nan 8.360 nan 0.000 0.452 269 L N 0.716 121.918 121.223 -0.035 0.000 1.994 269 L HA -0.191 4.153 4.340 0.006 0.000 0.208 269 L C 2.124 178.953 176.870 -0.068 0.000 1.071 269 L CA 1.566 56.374 54.840 -0.054 0.000 0.745 269 L CB -0.199 41.817 42.059 -0.071 0.000 0.892 269 L HN 0.118 nan 8.230 nan 0.000 0.431 270 I N -0.842 119.677 120.570 -0.086 0.000 2.315 270 I HA -0.271 3.902 4.170 0.006 0.000 0.248 270 I C 2.569 178.699 176.117 0.021 0.000 1.117 270 I CA 1.101 62.342 61.300 -0.098 0.000 1.404 270 I CB -0.631 37.300 38.000 -0.115 0.000 1.071 270 I HN 0.311 nan 8.210 nan 0.000 0.419 271 A N -0.196 122.636 122.820 0.020 0.000 1.908 271 A HA -0.311 4.012 4.320 0.006 0.000 0.218 271 A C 2.536 180.145 177.584 0.042 0.000 1.181 271 A CA 2.076 54.137 52.037 0.040 0.000 0.627 271 A CB -1.390 17.624 19.000 0.023 0.000 0.818 271 A HN 0.629 nan 8.150 nan 0.000 0.445 272 c N -0.525 118.087 118.600 0.021 0.000 2.442 272 c HA -0.063 4.510 4.570 0.006 0.000 0.279 272 c C 2.581 176.695 174.090 0.041 0.000 1.237 272 c CA 1.203 57.544 56.329 0.020 0.000 1.722 272 c CB -1.611 40.899 42.510 -0.001 0.000 2.056 272 c HN 0.609 nan 8.230 nan 0.000 0.469 273 L N 0.503 121.750 121.223 0.040 0.000 2.034 273 L HA -0.252 4.092 4.340 0.006 0.000 0.217 273 L C 3.006 179.994 176.870 0.197 0.000 1.077 273 L CA 2.118 57.019 54.840 0.102 0.000 0.769 273 L CB -0.727 41.358 42.059 0.042 0.000 0.890 273 L HN 0.422 nan 8.230 nan 0.000 0.435 274 R N -0.702 119.934 120.500 0.227 0.000 2.237 274 R HA -0.113 4.230 4.340 0.006 0.000 0.219 274 R C 2.083 178.427 176.300 0.072 0.000 1.080 274 R CA 1.641 57.839 56.100 0.164 0.000 0.995 274 R CB -0.352 30.039 30.300 0.152 0.000 0.875 274 R HN 0.560 nan 8.270 nan 0.000 0.462 275 T N -1.777 112.814 114.554 0.063 0.000 3.129 275 T HA 0.127 4.480 4.350 0.006 0.000 0.251 275 T C 0.858 175.578 174.700 0.034 0.000 1.117 275 T CA -0.169 61.954 62.100 0.038 0.000 1.034 275 T CB 0.170 69.056 68.868 0.031 0.000 0.968 275 T HN -0.154 nan 8.240 nan 0.000 0.526 276 R N 2.723 123.251 120.500 0.045 0.000 2.390 276 R HA 0.414 4.758 4.340 0.006 0.000 0.291 276 R C -2.679 173.638 176.300 0.029 0.000 1.070 276 R CA -2.620 53.505 56.100 0.041 0.000 1.014 276 R CB 0.092 30.421 30.300 0.048 0.000 1.007 276 R HN 0.248 nan 8.270 nan 0.000 0.466 277 P HA -0.001 nan 4.420 nan 0.000 0.267 277 P C 0.243 177.524 177.300 -0.032 0.000 1.200 277 P CA 0.153 63.247 63.100 -0.011 0.000 0.772 277 P CB 0.585 32.287 31.700 0.004 0.000 0.855 278 A N 2.397 125.129 122.820 -0.147 0.000 1.865 278 A HA -0.281 4.042 4.320 0.006 0.000 0.217 278 A C 2.179 179.647 177.584 -0.194 0.000 1.191 278 A CA 1.947 53.842 52.037 -0.237 0.000 0.623 278 A CB -1.436 16.963 19.000 -1.002 0.000 0.826 278 A HN 0.525 nan 8.150 nan 0.000 0.444 279 Q N 0.037 119.688 119.800 -0.249 0.000 2.197 279 Q HA -0.199 4.144 4.340 0.006 0.000 0.207 279 Q C 1.700 177.755 176.000 0.093 0.000 0.984 279 Q CA 1.974 57.797 55.803 0.034 0.000 0.869 279 Q CB -0.469 28.337 28.738 0.114 0.000 0.906 279 Q HN 0.689 nan 8.270 nan 0.000 0.426 280 D N -0.840 119.605 120.400 0.074 0.000 2.104 280 D HA -0.157 4.486 4.640 0.006 0.000 0.194 280 D C 1.778 178.190 176.300 0.187 0.000 0.994 280 D CA 1.294 55.375 54.000 0.135 0.000 0.830 280 D CB 0.062 40.938 40.800 0.126 0.000 0.959 280 D HN 0.320 nan 8.370 nan 0.000 0.452 281 L N 0.294 121.578 121.223 0.102 0.000 2.056 281 L HA -0.149 4.195 4.340 0.006 0.000 0.207 281 L C 2.696 179.599 176.870 0.054 0.000 1.078 281 L CA 0.530 55.385 54.840 0.026 0.000 0.749 281 L CB -0.488 41.447 42.059 -0.208 0.000 0.901 281 L HN -0.077 nan 8.230 nan 0.000 0.433 282 V N -0.215 119.785 119.914 0.143 0.000 2.407 282 V HA -0.279 3.845 4.120 0.006 0.000 0.248 282 V C 1.934 178.131 176.094 0.173 0.000 1.055 282 V CA 1.820 64.261 62.300 0.234 0.000 1.049 282 V CB -0.610 31.470 31.823 0.429 0.000 0.662 282 V HN 0.420 nan 8.190 nan 0.000 0.455 283 D N -0.912 119.538 120.400 0.084 0.000 2.264 283 D HA -0.108 4.536 4.640 0.006 0.000 0.208 283 D C 1.822 177.923 176.300 -0.332 0.000 0.966 283 D CA 1.246 55.195 54.000 -0.084 0.000 0.864 283 D CB -0.164 40.525 40.800 -0.184 0.000 0.933 283 D HN 0.648 nan 8.370 nan 0.000 0.499 284 H N -0.773 118.277 119.070 -0.033 0.000 2.874 284 H HA 0.109 4.669 4.556 0.006 0.000 0.264 284 H C 1.556 176.810 175.328 -0.124 0.000 1.007 284 H CA 0.173 56.157 56.048 -0.107 0.000 1.207 284 H CB 0.439 30.227 29.762 0.042 0.000 1.487 284 H HN 0.207 nan 8.280 nan 0.000 0.505 285 E N 0.463 120.638 120.200 -0.042 0.000 2.401 285 E HA -0.202 4.151 4.350 0.006 0.000 0.199 285 E C 0.644 177.026 176.600 -0.364 0.000 1.023 285 E CA 0.956 57.289 56.400 -0.112 0.000 0.859 285 E CB -0.208 29.386 29.700 -0.176 0.000 0.780 285 E HN 0.608 nan 8.360 nan 0.000 0.523 286 W N 0.033 121.243 121.300 -0.149 0.000 2.942 286 W HA 0.120 4.783 4.660 0.005 0.000 0.263 286 W C 1.562 178.078 176.519 -0.004 0.000 1.296 286 W CA -0.152 57.095 57.345 -0.164 0.000 1.504 286 W CB 0.327 29.611 29.460 -0.295 0.000 1.096 286 W HN 0.158 nan 8.180 nan 0.000 0.639 287 H N -0.517 118.675 119.070 0.202 0.000 2.547 287 H HA 0.063 4.622 4.556 0.006 0.000 0.266 287 H C 2.045 177.428 175.328 0.090 0.000 0.988 287 H CA 0.396 56.535 56.048 0.151 0.000 1.147 287 H CB -0.643 29.227 29.762 0.180 0.000 1.365 287 H HN 0.040 nan 8.280 nan 0.000 0.589 288 V N 0.409 120.415 119.914 0.154 0.000 2.453 288 V HA -0.129 3.995 4.120 0.006 0.000 0.247 288 V C 1.180 177.286 176.094 0.021 0.000 1.048 288 V CA 1.105 63.438 62.300 0.054 0.000 1.049 288 V CB -0.202 31.591 31.823 -0.049 0.000 0.672 288 V HN 0.160 nan 8.190 nan 0.000 0.457 289 L N 0.740 121.980 121.223 0.027 0.000 2.371 289 L HA 0.307 4.650 4.340 0.006 0.000 0.262 289 L C -1.564 175.348 176.870 0.070 0.000 1.054 289 L CA -1.404 53.450 54.840 0.024 0.000 0.924 289 L CB 0.967 43.020 42.059 -0.010 0.000 1.295 289 L HN 0.062 nan 8.230 nan 0.000 0.441 290 P HA -0.222 nan 4.420 nan 0.000 0.215 290 P C 0.053 177.378 177.300 0.043 0.000 1.163 290 P CA 0.996 64.131 63.100 0.057 0.000 0.894 290 P CB 0.050 31.768 31.700 0.030 0.000 0.791 291 Q N 0.971 120.786 119.800 0.025 0.000 4.051 291 Q HA -0.180 4.164 4.340 0.006 0.000 0.398 291 Q C -0.260 175.751 176.000 0.018 0.000 1.037 291 Q CA 0.604 56.415 55.803 0.013 0.000 1.328 291 Q CB -0.909 27.829 28.738 -0.000 0.000 1.070 291 Q HN 0.423 nan 8.270 nan 0.000 0.484 292 E N 1.704 121.915 120.200 0.018 0.000 2.415 292 E HA 0.127 4.480 4.350 0.006 0.000 0.260 292 E C -0.337 176.273 176.600 0.017 0.000 1.016 292 E CA 0.152 56.566 56.400 0.022 0.000 0.924 292 E CB 0.719 30.433 29.700 0.023 0.000 0.961 292 E HN 0.378 nan 8.360 nan 0.000 0.459 293 S N 3.274 118.986 115.700 0.021 0.000 2.586 293 S HA 0.149 4.623 4.470 0.006 0.000 0.296 293 S C 0.380 174.995 174.600 0.024 0.000 1.120 293 S CA -0.729 57.478 58.200 0.012 0.000 0.927 293 S CB 0.370 63.562 63.200 -0.013 0.000 1.114 293 S HN 0.513 nan 8.310 nan 0.000 0.453 294 I N 2.712 123.326 120.570 0.074 0.000 2.094 294 I HA 0.039 4.213 4.170 0.006 0.000 0.234 294 I C 0.973 177.104 176.117 0.022 0.000 1.063 294 I CA 1.129 62.508 61.300 0.131 0.000 1.328 294 I CB -0.350 37.821 38.000 0.286 0.000 1.058 294 I HN 0.584 nan 8.210 nan 0.000 0.400 295 F N 3.272 122.983 119.950 -0.398 0.000 2.818 295 F HA 0.115 4.645 4.527 0.006 0.000 0.303 295 F C 1.172 176.442 175.800 -0.883 0.000 1.250 295 F CA -0.606 56.930 58.000 -0.774 0.000 1.409 295 F CB -1.488 37.142 39.000 -0.617 0.000 1.183 295 F HN 0.141 nan 8.300 nan 0.000 0.534 296 R N 1.372 121.641 120.500 -0.385 0.000 2.316 296 R HA 0.432 4.776 4.340 0.006 0.000 0.314 296 R C -1.552 174.501 176.300 -0.411 0.000 1.069 296 R CA 0.061 55.978 56.100 -0.306 0.000 0.959 296 R CB -0.291 29.983 30.300 -0.044 0.000 0.987 296 R HN 0.167 nan 8.270 nan 0.000 0.446 297 F N 0.948 120.952 119.950 0.091 0.000 2.588 297 F HA 0.332 4.862 4.527 0.005 0.000 0.314 297 F C 0.355 176.047 175.800 -0.181 0.000 1.134 297 F CA -1.179 56.783 58.000 -0.063 0.000 0.961 297 F CB 2.000 41.052 39.000 0.087 0.000 1.239 297 F HN 0.410 nan 8.300 nan 0.000 0.448 298 S N 0.542 116.093 115.700 -0.248 0.000 2.436 298 S HA 0.102 4.575 4.470 0.006 0.000 0.228 298 S C -0.092 174.028 174.600 -0.800 0.000 1.014 298 S CA 0.582 58.402 58.200 -0.634 0.000 0.950 298 S CB -0.254 62.321 63.200 -1.043 0.000 0.784 298 S HN 0.440 nan 8.310 nan 0.000 0.504 299 F N 2.707 122.677 119.950 0.034 0.000 2.359 299 F HA 0.575 5.105 4.527 0.006 0.000 0.369 299 F C 0.017 175.793 175.800 -0.039 0.000 1.084 299 F CA -1.238 56.791 58.000 0.049 0.000 1.096 299 F CB 1.051 40.105 39.000 0.092 0.000 1.335 299 F HN -0.083 nan 8.300 nan 0.000 0.457 300 V N 0.115 119.978 119.914 -0.085 0.000 3.141 300 V HA 0.763 4.886 4.120 0.006 0.000 0.312 300 V C -2.825 172.921 176.094 -0.580 0.000 1.157 300 V CA -3.468 58.459 62.300 -0.622 0.000 1.041 300 V CB 2.008 33.630 31.823 -0.335 0.000 1.071 300 V HN 0.188 nan 8.190 nan 0.000 0.441 301 P HA 0.045 nan 4.420 nan 0.000 0.259 301 P C -0.413 176.755 177.300 -0.219 0.000 1.163 301 P CA 0.637 63.486 63.100 -0.418 0.000 0.760 301 P CB 0.309 31.690 31.700 -0.532 0.000 0.762 302 V N 5.924 125.784 119.914 -0.089 0.000 2.509 302 V HA 0.130 4.254 4.120 0.006 0.000 0.284 302 V C 0.007 176.073 176.094 -0.046 0.000 1.047 302 V CA -0.620 61.648 62.300 -0.053 0.000 0.952 302 V CB 1.471 33.292 31.823 -0.003 0.000 0.988 302 V HN 0.163 nan 8.190 nan 0.000 0.469 303 V N 7.843 127.733 119.914 -0.039 0.000 2.359 303 V HA 0.158 4.282 4.120 0.006 0.000 0.248 303 V C 0.808 176.906 176.094 0.006 0.000 1.091 303 V CA 0.325 62.617 62.300 -0.014 0.000 1.103 303 V CB -0.043 31.768 31.823 -0.021 0.000 1.176 303 V HN 1.052 nan 8.190 nan 0.000 0.488 304 D N 2.672 123.090 120.400 0.029 0.000 2.369 304 D HA 0.135 4.778 4.640 0.006 0.000 0.211 304 D C 1.527 177.851 176.300 0.040 0.000 1.077 304 D CA 0.494 54.515 54.000 0.035 0.000 0.842 304 D CB 0.507 41.337 40.800 0.050 0.000 0.947 304 D HN 0.655 nan 8.370 nan 0.000 0.509 305 G N 0.820 109.645 108.800 0.041 0.000 2.166 305 G HA2 -0.360 3.604 3.960 0.006 0.000 0.260 305 G HA3 -0.360 3.604 3.960 0.006 0.000 0.260 305 G C 0.472 175.399 174.900 0.045 0.000 0.986 305 G CA 0.946 46.067 45.100 0.036 0.000 0.683 305 G HN 0.531 nan 8.290 nan 0.000 0.527 306 D N -1.480 118.964 120.400 0.072 0.000 2.949 306 D HA 0.236 4.879 4.640 0.006 0.000 0.247 306 D C 1.829 178.191 176.300 0.103 0.000 1.552 306 D CA 0.314 54.360 54.000 0.077 0.000 1.231 306 D CB -0.523 40.330 40.800 0.089 0.000 0.990 306 D HN 0.054 nan 8.370 nan 0.000 0.270 307 F N 1.063 121.019 119.950 0.009 0.000 2.095 307 F HA 0.124 4.655 4.527 0.005 0.000 0.298 307 F C 0.599 176.396 175.800 -0.004 0.000 1.104 307 F CA 1.234 59.238 58.000 0.006 0.000 1.232 307 F CB 0.045 39.045 39.000 0.000 0.000 0.987 307 F HN -0.011 nan 8.300 nan 0.000 0.475 308 L N 0.721 122.137 121.223 0.322 0.000 2.277 308 L HA 0.205 4.549 4.340 0.006 0.000 0.284 308 L C 1.317 178.244 176.870 0.094 0.000 1.028 308 L CA -0.170 54.778 54.840 0.181 0.000 0.835 308 L CB 1.342 43.470 42.059 0.116 0.000 1.215 308 L HN 0.054 nan 8.230 nan 0.000 0.425 309 S N 0.142 115.881 115.700 0.065 0.000 2.515 309 S HA 0.007 4.480 4.470 0.006 0.000 0.231 309 S C 0.369 174.986 174.600 0.028 0.000 0.987 309 S CA 0.379 58.601 58.200 0.038 0.000 0.936 309 S CB 0.045 63.258 63.200 0.021 0.000 0.766 309 S HN 0.726 nan 8.310 nan 0.000 0.528 310 D N 0.047 120.465 120.400 0.031 0.000 2.725 310 D HA 0.266 4.909 4.640 0.006 0.000 0.292 310 D C -0.793 175.515 176.300 0.014 0.000 1.288 310 D CA 0.008 54.019 54.000 0.018 0.000 0.784 310 D CB 1.273 42.082 40.800 0.015 0.000 1.308 310 D HN 0.159 nan 8.370 nan 0.000 0.429 311 T N -0.477 114.076 114.554 -0.000 0.000 2.937 311 T HA 0.215 4.568 4.350 0.006 0.000 0.316 311 T C -1.747 172.948 174.700 -0.007 0.000 1.079 311 T CA -0.451 61.640 62.100 -0.015 0.000 1.131 311 T CB 0.945 69.798 68.868 -0.025 0.000 1.000 311 T HN 0.130 nan 8.240 nan 0.000 0.549 312 P HA -0.047 nan 4.420 nan 0.000 0.216 312 P C 1.349 178.645 177.300 -0.006 0.000 1.150 312 P CA 1.019 64.109 63.100 -0.017 0.000 0.837 312 P CB 0.066 31.726 31.700 -0.066 0.000 0.786 313 E N -0.179 120.006 120.200 -0.025 0.000 2.058 313 E HA -0.182 4.171 4.350 0.006 0.000 0.194 313 E C 2.173 178.783 176.600 0.016 0.000 0.997 313 E CA 1.688 58.081 56.400 -0.012 0.000 0.801 313 E CB -1.163 28.522 29.700 -0.024 0.000 0.746 313 E HN 0.114 nan 8.360 nan 0.000 0.450 314 A N 0.720 123.548 122.820 0.013 0.000 1.873 314 A HA -0.220 4.104 4.320 0.006 0.000 0.218 314 A C 2.242 179.855 177.584 0.048 0.000 1.193 314 A CA 1.620 53.671 52.037 0.023 0.000 0.629 314 A CB -0.889 18.119 19.000 0.014 0.000 0.826 314 A HN 0.216 nan 8.150 nan 0.000 0.447 315 L N -0.318 120.942 121.223 0.061 0.000 2.093 315 L HA -0.137 4.207 4.340 0.006 0.000 0.208 315 L C 2.571 179.567 176.870 0.209 0.000 1.085 315 L CA 1.527 56.431 54.840 0.107 0.000 0.755 315 L CB -0.643 41.480 42.059 0.108 0.000 0.904 315 L HN 0.710 nan 8.230 nan 0.000 0.435 316 I N -3.064 117.614 120.570 0.180 0.000 2.761 316 I HA -0.093 4.081 4.170 0.006 0.000 0.261 316 I C 1.983 178.248 176.117 0.246 0.000 1.198 316 I CA 1.107 62.552 61.300 0.242 0.000 1.482 316 I CB -0.319 37.710 38.000 0.047 0.000 1.100 316 I HN 0.132 nan 8.210 nan 0.000 0.445 317 N N 1.366 120.151 118.700 0.141 0.000 2.216 317 N HA -0.097 4.647 4.740 0.006 0.000 0.183 317 N C 1.730 177.294 175.510 0.091 0.000 1.017 317 N CA 2.077 55.188 53.050 0.103 0.000 0.861 317 N CB -0.169 38.353 38.487 0.058 0.000 0.986 317 N HN 0.680 nan 8.380 nan 0.000 0.428 318 T N -3.464 111.132 114.554 0.069 0.000 3.170 318 T HA 0.396 4.750 4.350 0.006 0.000 0.288 318 T C 0.631 175.287 174.700 -0.073 0.000 0.992 318 T CA -0.518 61.585 62.100 0.005 0.000 0.909 318 T CB 0.080 68.948 68.868 0.000 0.000 1.133 318 T HN 0.036 nan 8.240 nan 0.000 0.530 319 G N 0.416 109.131 108.800 -0.141 0.000 2.477 319 G HA2 0.495 4.459 3.960 0.006 0.000 0.304 319 G HA3 0.495 4.459 3.960 0.006 0.000 0.304 319 G C -1.323 173.128 174.900 -0.749 0.000 1.175 319 G CA -0.604 44.206 45.100 -0.483 0.000 0.907 319 G HN 0.294 nan 8.290 nan 0.000 0.509 320 D N -0.247 119.710 120.400 -0.738 0.000 2.443 320 D HA 0.363 5.007 4.640 0.006 0.000 0.221 320 D C -0.476 175.486 176.300 -0.563 0.000 1.097 320 D CA -0.610 53.084 54.000 -0.511 0.000 0.865 320 D CB 0.271 40.922 40.800 -0.248 0.000 1.034 320 D HN 0.087 nan 8.370 nan 0.000 0.511 321 F N 2.146 122.105 119.950 0.015 0.000 2.925 321 F HA 0.234 4.764 4.527 0.006 0.000 0.302 321 F C 1.991 177.804 175.800 0.021 0.000 1.189 321 F CA -0.421 57.591 58.000 0.021 0.000 1.346 321 F CB 0.146 39.167 39.000 0.035 0.000 0.954 321 F HN 0.439 nan 8.300 nan 0.000 0.506 322 Q N 1.170 121.024 119.800 0.090 0.000 2.167 322 Q HA -0.153 4.191 4.340 0.006 0.000 0.202 322 Q C 0.903 176.942 176.000 0.064 0.000 0.970 322 Q CA 1.637 57.479 55.803 0.065 0.000 0.855 322 Q CB 0.110 28.858 28.738 0.017 0.000 0.911 322 Q HN 0.509 nan 8.270 nan 0.000 0.438 323 D N -0.093 120.342 120.400 0.058 0.000 2.395 323 D HA 0.069 4.713 4.640 0.006 0.000 0.226 323 D C -0.179 176.157 176.300 0.059 0.000 1.146 323 D CA -0.160 53.865 54.000 0.041 0.000 0.830 323 D CB -0.056 40.751 40.800 0.011 0.000 0.958 323 D HN 0.080 nan 8.370 nan 0.000 0.501 324 L N 0.519 121.805 121.223 0.104 0.000 2.381 324 L HA 0.404 4.748 4.340 0.006 0.000 0.274 324 L C -1.337 175.619 176.870 0.142 0.000 0.988 324 L CA -0.424 54.492 54.840 0.127 0.000 0.824 324 L CB 2.168 44.339 42.059 0.188 0.000 1.263 324 L HN -0.246 nan 8.230 nan 0.000 0.410 325 Q N 4.348 124.244 119.800 0.160 0.000 2.347 325 Q HA 0.659 5.003 4.340 0.006 0.000 0.262 325 Q C -0.946 175.327 176.000 0.455 0.000 0.980 325 Q CA -0.539 55.422 55.803 0.264 0.000 0.867 325 Q CB 2.114 30.953 28.738 0.168 0.000 1.242 325 Q HN 0.543 nan 8.270 nan 0.000 0.453 326 V N 0.431 120.553 119.914 0.346 0.000 2.715 326 V HA 0.698 4.821 4.120 0.006 0.000 0.310 326 V C -0.945 175.110 176.094 -0.065 0.000 1.054 326 V CA -1.196 61.218 62.300 0.190 0.000 0.928 326 V CB 1.605 33.460 31.823 0.053 0.000 1.007 326 V HN 0.605 nan 8.190 nan 0.000 0.437 327 L N 5.251 126.198 121.223 -0.461 0.000 2.333 327 L HA 0.901 5.244 4.340 0.006 0.000 0.280 327 L C -0.333 176.408 176.870 -0.216 0.000 1.004 327 L CA -0.292 54.204 54.840 -0.573 0.000 0.820 327 L CB 1.520 42.777 42.059 -1.337 0.000 1.247 327 L HN 0.945 nan 8.230 nan 0.000 0.416 328 V N 1.923 121.783 119.914 -0.089 0.000 3.078 328 V HA 1.136 5.259 4.120 0.006 0.000 0.311 328 V C -0.281 175.576 176.094 -0.396 0.000 1.138 328 V CA 0.193 62.421 62.300 -0.120 0.000 1.007 328 V CB 1.291 33.023 31.823 -0.151 0.000 1.045 328 V HN 1.169 nan 8.190 nan 0.000 0.432 329 G N 0.374 108.808 108.800 -0.610 0.000 2.342 329 G HA2 0.755 4.718 3.960 0.006 0.000 0.297 329 G HA3 0.755 4.718 3.960 0.006 0.000 0.297 329 G C -1.212 173.377 174.900 -0.519 0.000 1.313 329 G CA 0.164 44.536 45.100 -1.214 0.000 0.830 329 G HN 2.154 nan 8.290 nan 0.000 0.506 330 V N -2.478 117.265 119.914 -0.284 0.000 3.181 330 V HA 0.925 5.049 4.120 0.006 0.000 0.308 330 V C 0.183 176.452 176.094 0.291 0.000 1.214 330 V CA -0.366 61.976 62.300 0.070 0.000 1.053 330 V CB 1.182 33.024 31.823 0.032 0.000 1.069 330 V HN 1.958 nan 8.190 nan 0.000 0.441 331 V N -0.533 119.565 119.914 0.307 0.000 2.973 331 V HA 0.571 4.695 4.120 0.006 0.000 0.314 331 V C 1.402 177.667 176.094 0.285 0.000 1.066 331 V CA -0.058 62.471 62.300 0.381 0.000 1.021 331 V CB 1.240 33.280 31.823 0.363 0.000 1.076 331 V HN 1.083 nan 8.190 nan 0.000 0.462 332 K N -0.093 120.475 120.400 0.280 0.000 2.063 332 K HA -0.104 4.220 4.320 0.006 0.000 0.208 332 K C 0.316 177.027 176.600 0.184 0.000 1.048 332 K CA 1.972 58.382 56.287 0.205 0.000 0.928 332 K CB 0.052 32.654 32.500 0.171 0.000 0.713 332 K HN 0.898 nan 8.250 nan 0.000 0.442 333 D N 1.038 121.550 120.400 0.187 0.000 2.517 333 D HA 0.038 4.682 4.640 0.006 0.000 0.301 333 D C 0.230 176.638 176.300 0.180 0.000 1.202 333 D CA -0.071 54.030 54.000 0.167 0.000 0.910 333 D CB 1.384 42.265 40.800 0.135 0.000 1.021 333 D HN 0.135 nan 8.370 nan 0.000 0.499 334 E N 0.671 120.993 120.200 0.203 0.000 2.077 334 E HA -0.115 4.238 4.350 0.006 0.000 0.193 334 E C 1.914 178.686 176.600 0.286 0.000 0.989 334 E CA 0.761 57.312 56.400 0.253 0.000 0.800 334 E CB 0.152 29.994 29.700 0.236 0.000 0.746 334 E HN 0.428 nan 8.360 nan 0.000 0.452 335 G N 0.974 109.927 108.800 0.256 0.000 2.777 335 G HA2 -0.127 3.837 3.960 0.006 0.000 0.211 335 G HA3 -0.127 3.837 3.960 0.006 0.000 0.211 335 G C 1.672 176.740 174.900 0.281 0.000 1.149 335 G CA 0.749 46.059 45.100 0.350 0.000 0.785 335 G HN 0.335 nan 8.290 nan 0.000 0.536 336 S N 0.428 116.230 115.700 0.170 0.000 2.359 336 S HA -0.305 4.169 4.470 0.006 0.000 0.222 336 S C 2.080 176.692 174.600 0.020 0.000 1.038 336 S CA 1.459 59.735 58.200 0.126 0.000 1.051 336 S CB -0.958 62.262 63.200 0.033 0.000 0.944 336 S HN 0.387 nan 8.310 nan 0.000 0.433 337 Y N 1.850 121.955 120.300 -0.326 0.000 2.096 337 Y HA -0.298 4.255 4.550 0.006 0.000 0.276 337 Y C 1.970 177.704 175.900 -0.275 0.000 1.209 337 Y CA 2.237 60.011 58.100 -0.543 0.000 1.137 337 Y CB -0.710 37.240 38.460 -0.849 0.000 0.956 337 Y HN 0.334 nan 8.280 nan 0.000 0.506 338 F N -0.937 119.143 119.950 0.216 0.000 2.325 338 F HA -0.169 4.361 4.527 0.005 0.000 0.299 338 F C 2.066 177.959 175.800 0.156 0.000 1.090 338 F CA 0.742 58.862 58.000 0.200 0.000 1.392 338 F CB -0.417 38.713 39.000 0.217 0.000 1.053 338 F HN -0.008 nan 8.300 nan 0.000 0.521 339 L N 0.107 121.440 121.223 0.184 0.000 2.127 339 L HA -0.189 4.154 4.340 0.006 0.000 0.211 339 L C 2.442 179.382 176.870 0.117 0.000 1.089 339 L CA 1.193 55.980 54.840 -0.088 0.000 0.757 339 L CB -1.100 40.538 42.059 -0.701 0.000 0.899 339 L HN 0.198 nan 8.230 nan 0.000 0.434 340 V N -4.485 115.567 119.914 0.229 0.000 3.141 340 V HA -0.165 3.958 4.120 0.006 0.000 0.265 340 V C 0.907 177.023 176.094 0.037 0.000 1.126 340 V CA 0.724 63.159 62.300 0.225 0.000 1.141 340 V CB -1.120 30.853 31.823 0.250 0.000 0.743 340 V HN 0.282 nan 8.190 nan 0.000 0.492 341 Y N 2.183 122.549 120.300 0.109 0.000 2.880 341 Y HA 0.665 5.218 4.550 0.006 0.000 0.386 341 Y C 1.437 177.364 175.900 0.046 0.000 1.172 341 Y CA 0.065 58.200 58.100 0.059 0.000 1.770 341 Y CB 0.293 38.785 38.460 0.053 0.000 1.809 341 Y HN 0.390 nan 8.280 nan 0.000 0.472 342 G N -0.299 108.583 108.800 0.137 0.000 2.143 342 G HA2 -0.192 3.772 3.960 0.006 0.000 0.175 342 G HA3 -0.192 3.772 3.960 0.006 0.000 0.175 342 G C -0.680 174.295 174.900 0.125 0.000 1.004 342 G CA -0.332 44.833 45.100 0.107 0.000 0.671 342 G HN 0.184 nan 8.290 nan 0.000 0.512 343 V N 1.784 121.801 119.914 0.172 0.000 2.333 343 V HA 0.426 4.549 4.120 0.006 0.000 0.274 343 V C -1.705 174.581 176.094 0.320 0.000 1.028 343 V CA -1.751 60.684 62.300 0.224 0.000 0.851 343 V CB 1.454 33.388 31.823 0.185 0.000 1.000 343 V HN 0.122 nan 8.190 nan 0.000 0.456 344 P HA 0.271 nan 4.420 nan 0.000 0.264 344 P C 1.015 178.380 177.300 0.107 0.000 1.193 344 P CA 1.193 64.372 63.100 0.133 0.000 0.763 344 P CB 0.738 32.484 31.700 0.076 0.000 0.810 345 G N 1.537 110.342 108.800 0.009 0.000 2.238 345 G HA2 -0.201 3.762 3.960 0.006 0.000 0.217 345 G HA3 -0.201 3.762 3.960 0.006 0.000 0.217 345 G C -0.191 174.495 174.900 -0.356 0.000 0.996 345 G CA -0.610 44.367 45.100 -0.204 0.000 0.632 345 G HN 0.398 nan 8.290 nan 0.000 0.503 346 F N 1.699 121.655 119.950 0.009 0.000 2.421 346 F HA 0.791 5.321 4.527 0.005 0.000 0.337 346 F C 0.626 176.503 175.800 0.128 0.000 1.105 346 F CA -0.064 57.959 58.000 0.040 0.000 1.049 346 F CB 2.210 41.285 39.000 0.125 0.000 1.139 346 F HN 0.146 nan 8.300 nan 0.000 0.479 347 S N 1.505 117.423 115.700 0.362 0.000 2.550 347 S HA 0.275 4.749 4.470 0.006 0.000 0.270 347 S C 0.345 175.217 174.600 0.454 0.000 1.145 347 S CA -0.889 57.517 58.200 0.342 0.000 0.852 347 S CB 1.426 64.736 63.200 0.183 0.000 1.119 347 S HN 0.767 nan 8.310 nan 0.000 0.465 348 K N 1.130 121.697 120.400 0.279 0.000 2.365 348 K HA 0.077 4.401 4.320 0.006 0.000 0.199 348 K C 0.084 176.697 176.600 0.021 0.000 1.045 348 K CA 1.299 57.645 56.287 0.098 0.000 0.962 348 K CB -0.067 32.186 32.500 -0.412 0.000 0.759 348 K HN 0.446 nan 8.250 nan 0.000 0.469 349 D N 0.694 121.110 120.400 0.026 0.000 2.392 349 D HA 0.006 4.649 4.640 0.006 0.000 0.206 349 D C -0.129 176.192 176.300 0.035 0.000 1.046 349 D CA 0.303 54.286 54.000 -0.029 0.000 0.865 349 D CB 0.155 40.917 40.800 -0.064 0.000 0.969 349 D HN 0.475 nan 8.370 nan 0.000 0.509 350 N N -0.605 118.147 118.700 0.086 0.000 2.653 350 N HA 0.124 4.868 4.740 0.006 0.000 0.294 350 N C 0.407 175.955 175.510 0.064 0.000 1.305 350 N CA -0.525 52.553 53.050 0.046 0.000 0.827 350 N CB 0.971 39.446 38.487 -0.020 0.000 1.415 350 N HN -0.404 nan 8.380 nan 0.000 0.546 351 E N -0.496 119.675 120.200 -0.049 0.000 2.511 351 E HA 0.011 4.364 4.350 0.006 0.000 0.196 351 E C -0.350 175.900 176.600 -0.582 0.000 1.066 351 E CA 0.102 56.402 56.400 -0.167 0.000 0.871 351 E CB -0.496 29.160 29.700 -0.073 0.000 0.863 351 E HN 0.620 nan 8.360 nan 0.000 0.520 352 S N 0.068 115.450 115.700 -0.530 0.000 3.521 352 S HA -0.197 4.277 4.470 0.006 0.000 0.328 352 S C 0.459 174.637 174.600 -0.704 0.000 1.165 352 S CA 0.218 57.983 58.200 -0.725 0.000 0.941 352 S CB -1.777 60.754 63.200 -1.114 0.000 0.951 352 S HN 0.334 nan 8.310 nan 0.000 0.539 353 L N 1.782 122.734 121.223 -0.452 0.000 2.562 353 L HA 0.256 4.600 4.340 0.006 0.000 0.271 353 L C 0.783 177.449 176.870 -0.340 0.000 1.167 353 L CA 0.261 54.899 54.840 -0.337 0.000 0.917 353 L CB -0.246 41.685 42.059 -0.213 0.000 1.187 353 L HN 0.409 nan 8.230 nan 0.000 0.482 354 I N 0.310 120.673 120.570 -0.345 0.000 2.822 354 I HA 0.618 4.792 4.170 0.006 0.000 0.312 354 I C 0.600 176.630 176.117 -0.145 0.000 1.011 354 I CA -0.653 60.473 61.300 -0.290 0.000 1.105 354 I CB 1.850 39.632 38.000 -0.363 0.000 1.291 354 I HN 0.562 nan 8.210 nan 0.000 0.474 355 S N 2.479 118.126 115.700 -0.088 0.000 2.645 355 S HA 0.348 4.822 4.470 0.006 0.000 0.266 355 S C 0.961 175.577 174.600 0.027 0.000 1.258 355 S CA -0.453 57.727 58.200 -0.033 0.000 0.990 355 S CB 1.510 64.697 63.200 -0.021 0.000 0.967 355 S HN 0.883 nan 8.310 nan 0.000 0.556 356 R N 0.652 121.176 120.500 0.040 0.000 2.096 356 R HA -0.077 4.266 4.340 0.006 0.000 0.235 356 R C 2.317 178.707 176.300 0.150 0.000 1.127 356 R CA 1.624 57.786 56.100 0.103 0.000 0.968 356 R CB -1.125 29.215 30.300 0.066 0.000 0.861 356 R HN 0.836 nan 8.270 nan 0.000 0.440 357 A N 0.533 123.405 122.820 0.086 0.000 1.902 357 A HA -0.217 4.106 4.320 0.006 0.000 0.217 357 A C 2.042 179.674 177.584 0.079 0.000 1.181 357 A CA 1.591 53.670 52.037 0.071 0.000 0.623 357 A CB -0.518 18.506 19.000 0.041 0.000 0.818 357 A HN 0.526 nan 8.150 nan 0.000 0.443 358 Q N -1.967 117.880 119.800 0.078 0.000 2.224 358 Q HA -0.113 4.231 4.340 0.006 0.000 0.203 358 Q C 1.811 177.913 176.000 0.171 0.000 0.970 358 Q CA 1.375 57.229 55.803 0.085 0.000 0.865 358 Q CB -0.243 28.507 28.738 0.019 0.000 0.922 358 Q HN 0.821 nan 8.270 nan 0.000 0.445 359 F N 1.032 121.005 119.950 0.039 0.000 2.074 359 F HA -0.177 4.353 4.527 0.005 0.000 0.293 359 F C 1.776 177.614 175.800 0.062 0.000 1.116 359 F CA 1.013 59.052 58.000 0.064 0.000 1.212 359 F CB 0.018 39.041 39.000 0.038 0.000 0.998 359 F HN -0.065 nan 8.300 nan 0.000 0.471 360 L N 0.546 121.721 121.223 -0.081 0.000 2.081 360 L HA -0.231 4.112 4.340 0.006 0.000 0.212 360 L C 2.803 179.603 176.870 -0.116 0.000 1.080 360 L CA 1.194 55.933 54.840 -0.170 0.000 0.754 360 L CB -1.697 40.348 42.059 -0.023 0.000 0.893 360 L HN 0.276 nan 8.230 nan 0.000 0.433 361 A N 0.866 123.668 122.820 -0.030 0.000 1.902 361 A HA -0.093 4.230 4.320 0.006 0.000 0.217 361 A C 2.456 180.036 177.584 -0.006 0.000 1.181 361 A CA 1.737 53.772 52.037 -0.003 0.000 0.623 361 A CB -1.247 17.773 19.000 0.032 0.000 0.818 361 A HN 0.447 nan 8.150 nan 0.000 0.443 362 G N -0.891 107.914 108.800 0.008 0.000 2.443 362 G HA2 -0.026 3.937 3.960 0.006 0.000 0.219 362 G HA3 -0.026 3.937 3.960 0.006 0.000 0.219 362 G C 1.411 176.266 174.900 -0.074 0.000 1.131 362 G CA 1.088 46.203 45.100 0.025 0.000 0.775 362 G HN 0.313 nan 8.290 nan 0.000 0.547 363 V N 0.737 120.531 119.914 -0.200 0.000 2.548 363 V HA -0.071 4.052 4.120 0.006 0.000 0.249 363 V C 2.898 178.927 176.094 -0.108 0.000 1.055 363 V CA 1.256 63.424 62.300 -0.219 0.000 1.065 363 V CB -0.306 31.291 31.823 -0.377 0.000 0.681 363 V HN 0.188 nan 8.190 nan 0.000 0.462 364 R N -0.007 120.445 120.500 -0.080 0.000 2.115 364 R HA 0.069 4.413 4.340 0.006 0.000 0.230 364 R C 2.014 178.298 176.300 -0.027 0.000 1.111 364 R CA 1.291 57.366 56.100 -0.041 0.000 0.976 364 R CB -0.711 29.574 30.300 -0.026 0.000 0.870 364 R HN 0.473 nan 8.270 nan 0.000 0.445 365 I N -0.638 119.920 120.570 -0.020 0.000 2.480 365 I HA -0.044 4.130 4.170 0.006 0.000 0.251 365 I C 2.287 178.397 176.117 -0.011 0.000 1.124 365 I CA 1.249 62.549 61.300 -0.001 0.000 1.444 365 I CB -0.514 37.501 38.000 0.024 0.000 1.098 365 I HN 0.170 nan 8.210 nan 0.000 0.428 366 G N 0.654 109.434 108.800 -0.033 0.000 2.421 366 G HA2 -0.061 3.903 3.960 0.006 0.000 0.217 366 G HA3 -0.061 3.903 3.960 0.006 0.000 0.217 366 G C 0.880 175.731 174.900 -0.082 0.000 1.143 366 G CA 0.448 45.509 45.100 -0.064 0.000 0.784 366 G HN 0.245 nan 8.290 nan 0.000 0.541 367 V N 1.976 121.845 119.914 -0.075 0.000 2.271 367 V HA 0.228 4.352 4.120 0.006 0.000 0.259 367 V C -1.471 174.599 176.094 -0.040 0.000 1.030 367 V CA -1.158 61.086 62.300 -0.093 0.000 0.957 367 V CB 1.386 33.143 31.823 -0.110 0.000 1.186 367 V HN 0.098 nan 8.190 nan 0.000 0.471 368 P HA -0.153 nan 4.420 nan 0.000 0.226 368 P C 1.104 178.399 177.300 -0.009 0.000 1.153 368 P CA 0.967 64.060 63.100 -0.013 0.000 0.777 368 P CB 0.382 32.076 31.700 -0.010 0.000 0.794 369 Q N -0.125 119.674 119.800 -0.002 0.000 2.253 369 Q HA 0.278 4.621 4.340 0.006 0.000 0.210 369 Q C -0.063 175.931 176.000 -0.010 0.000 0.907 369 Q CA -0.229 55.574 55.803 -0.001 0.000 0.948 369 Q CB -0.222 28.526 28.738 0.016 0.000 1.033 369 Q HN 0.023 nan 8.270 nan 0.000 0.471 370 A N 1.360 124.171 122.820 -0.015 0.000 2.288 370 A HA 0.545 4.868 4.320 0.006 0.000 0.320 370 A C 0.321 177.894 177.584 -0.017 0.000 1.217 370 A CA -0.398 51.627 52.037 -0.020 0.000 0.840 370 A CB 0.901 19.890 19.000 -0.018 0.000 1.179 370 A HN 0.475 nan 8.150 nan 0.000 0.504 371 S N 1.930 117.617 115.700 -0.022 0.000 2.592 371 S HA 0.033 4.506 4.470 0.006 0.000 0.256 371 S C 0.411 175.009 174.600 -0.004 0.000 1.369 371 S CA 0.762 58.953 58.200 -0.015 0.000 0.984 371 S CB 0.175 63.362 63.200 -0.021 0.000 0.919 371 S HN 0.630 nan 8.310 nan 0.000 0.576 372 D N -0.155 120.247 120.400 0.003 0.000 2.144 372 D HA -0.024 4.619 4.640 0.006 0.000 0.200 372 D C 1.718 178.034 176.300 0.026 0.000 0.978 372 D CA 0.672 54.680 54.000 0.014 0.000 0.833 372 D CB -0.250 40.559 40.800 0.015 0.000 0.961 372 D HN 0.375 nan 8.370 nan 0.000 0.470 373 L N 0.483 121.721 121.223 0.024 0.000 2.083 373 L HA -0.024 4.320 4.340 0.006 0.000 0.209 373 L C 1.979 178.882 176.870 0.055 0.000 1.083 373 L CA 1.411 56.277 54.840 0.042 0.000 0.752 373 L CB -0.766 41.311 42.059 0.031 0.000 0.899 373 L HN 0.010 nan 8.230 nan 0.000 0.433 374 A N -0.583 122.249 122.820 0.020 0.000 1.855 374 A HA -0.088 4.235 4.320 0.006 0.000 0.215 374 A C 2.463 180.080 177.584 0.056 0.000 1.191 374 A CA 1.759 53.803 52.037 0.012 0.000 0.613 374 A CB -1.217 17.759 19.000 -0.041 0.000 0.829 374 A HN 0.514 nan 8.150 nan 0.000 0.442 375 A N -0.552 122.290 122.820 0.036 0.000 1.940 375 A HA -0.199 4.125 4.320 0.006 0.000 0.219 375 A C 1.953 179.577 177.584 0.068 0.000 1.176 375 A CA 2.270 54.327 52.037 0.032 0.000 0.631 375 A CB -0.516 18.485 19.000 0.002 0.000 0.814 375 A HN 0.482 nan 8.150 nan 0.000 0.446 376 E N 0.240 120.492 120.200 0.087 0.000 2.058 376 E HA -0.139 4.215 4.350 0.006 0.000 0.194 376 E C 2.191 178.898 176.600 0.178 0.000 0.997 376 E CA 1.681 58.156 56.400 0.124 0.000 0.801 376 E CB -0.647 29.120 29.700 0.110 0.000 0.746 376 E HN 0.491 nan 8.360 nan 0.000 0.450 377 A N 0.013 122.958 122.820 0.208 0.000 1.865 377 A HA -0.186 4.137 4.320 0.006 0.000 0.217 377 A C 2.592 180.343 177.584 0.280 0.000 1.191 377 A CA 1.973 54.198 52.037 0.313 0.000 0.623 377 A CB -0.970 18.312 19.000 0.469 0.000 0.826 377 A HN 0.181 nan 8.150 nan 0.000 0.444 378 V N -0.402 119.677 119.914 0.274 0.000 2.255 378 V HA -0.270 3.853 4.120 0.006 0.000 0.247 378 V C 2.583 178.869 176.094 0.320 0.000 1.051 378 V CA 2.108 64.551 62.300 0.237 0.000 1.018 378 V CB -0.998 30.945 31.823 0.200 0.000 0.641 378 V HN 0.372 nan 8.190 nan 0.000 0.445 379 V N -0.318 119.730 119.914 0.222 0.000 2.252 379 V HA -0.336 3.788 4.120 0.006 0.000 0.249 379 V C 2.363 178.668 176.094 0.353 0.000 1.056 379 V CA 2.519 64.995 62.300 0.294 0.000 1.022 379 V CB -0.594 31.329 31.823 0.168 0.000 0.641 379 V HN 0.538 nan 8.190 nan 0.000 0.445 380 L N -0.539 120.880 121.223 0.326 0.000 1.990 380 L HA -0.294 4.050 4.340 0.006 0.000 0.213 380 L C 2.557 179.622 176.870 0.326 0.000 1.072 380 L CA 2.568 57.666 54.840 0.431 0.000 0.755 380 L CB -0.580 41.675 42.059 0.327 0.000 0.889 380 L HN 0.512 nan 8.230 nan 0.000 0.432 381 H N -1.952 117.109 119.070 -0.014 0.000 2.421 381 H HA -0.198 4.361 4.556 0.005 0.000 0.298 381 H C 1.274 176.441 175.328 -0.269 0.000 1.087 381 H CA 2.207 58.068 56.048 -0.311 0.000 1.330 381 H CB 0.015 29.193 29.762 -0.973 0.000 1.388 381 H HN 0.507 nan 8.280 nan 0.000 0.526 382 Y N -0.576 119.788 120.300 0.106 0.000 2.458 382 Y HA 0.187 4.741 4.550 0.007 0.000 0.256 382 Y C 0.555 176.499 175.900 0.072 0.000 1.159 382 Y CA -0.003 58.183 58.100 0.145 0.000 1.261 382 Y CB 0.562 39.228 38.460 0.344 0.000 1.119 382 Y HN 0.008 nan 8.280 nan 0.000 0.524 383 T N 1.048 115.618 114.554 0.026 0.000 2.869 383 T HA 0.057 4.410 4.350 0.006 0.000 0.295 383 T C -0.476 173.900 174.700 -0.541 0.000 0.987 383 T CA -0.460 61.407 62.100 -0.389 0.000 1.109 383 T CB 0.668 68.939 68.868 -0.995 0.000 0.932 383 T HN 0.089 nan 8.240 nan 0.000 0.518 384 D N 1.808 121.876 120.400 -0.553 0.000 2.396 384 D HA 0.158 4.802 4.640 0.006 0.000 0.225 384 D C 0.029 176.084 176.300 -0.408 0.000 1.121 384 D CA -0.835 52.871 54.000 -0.490 0.000 0.853 384 D CB 0.323 40.639 40.800 -0.808 0.000 1.043 384 D HN 0.572 nan 8.370 nan 0.000 0.500 385 W N 3.070 124.314 121.300 -0.093 0.000 2.699 385 W HA 0.096 4.759 4.660 0.004 0.000 0.249 385 W C 1.861 178.312 176.519 -0.112 0.000 1.280 385 W CA -0.229 57.071 57.345 -0.076 0.000 1.345 385 W CB -0.202 29.222 29.460 -0.060 0.000 1.128 385 W HN 0.414 nan 8.180 nan 0.000 0.642 386 L N -0.653 120.574 121.223 0.008 0.000 2.046 386 L HA -0.156 4.187 4.340 0.006 0.000 0.208 386 L C 0.190 176.761 176.870 -0.499 0.000 1.077 386 L CA 1.321 56.029 54.840 -0.222 0.000 0.747 386 L CB -0.458 41.477 42.059 -0.207 0.000 0.896 386 L HN 0.076 nan 8.230 nan 0.000 0.432 387 H N -1.927 117.073 119.070 -0.117 0.000 2.429 387 H HA 0.177 4.736 4.556 0.005 0.000 0.231 387 H C -1.984 173.237 175.328 -0.178 0.000 1.416 387 H CA -1.643 54.334 56.048 -0.120 0.000 1.443 387 H CB 0.096 29.788 29.762 -0.117 0.000 1.591 387 H HN -0.027 nan 8.280 nan 0.000 0.507 388 P HA -0.031 nan 4.420 nan 0.000 0.245 388 P C 0.464 177.696 177.300 -0.114 0.000 1.212 388 P CA 0.733 63.712 63.100 -0.203 0.000 0.774 388 P CB 0.794 32.368 31.700 -0.209 0.000 0.999 389 E N -0.293 119.881 120.200 -0.044 0.000 2.601 389 E HA 0.061 4.414 4.350 0.006 0.000 0.219 389 E C -0.266 176.322 176.600 -0.021 0.000 0.964 389 E CA -0.022 56.363 56.400 -0.025 0.000 1.050 389 E CB 0.347 30.045 29.700 -0.004 0.000 1.068 389 E HN 0.241 nan 8.360 nan 0.000 0.496 390 D N 1.614 122.007 120.400 -0.012 0.000 2.317 390 D HA 0.066 4.709 4.640 0.006 0.000 0.252 390 D C -1.728 174.550 176.300 -0.038 0.000 1.174 390 D CA -1.869 52.124 54.000 -0.013 0.000 0.866 390 D CB 1.656 42.451 40.800 -0.009 0.000 1.127 390 D HN -0.187 nan 8.370 nan 0.000 0.467 391 P HA -0.063 nan 4.420 nan 0.000 0.219 391 P C 1.146 178.377 177.300 -0.115 0.000 1.150 391 P CA 0.761 63.801 63.100 -0.100 0.000 0.814 391 P CB 0.255 31.890 31.700 -0.108 0.000 0.787 392 T N -1.481 113.024 114.554 -0.082 0.000 2.708 392 T HA -0.193 4.160 4.350 0.006 0.000 0.266 392 T C 1.744 176.414 174.700 -0.050 0.000 1.037 392 T CA 1.694 63.752 62.100 -0.069 0.000 1.146 392 T CB -0.968 67.875 68.868 -0.042 0.000 0.865 392 T HN 0.266 nan 8.240 nan 0.000 0.435 393 H N 0.892 119.893 119.070 -0.114 0.000 2.321 393 H HA 0.077 4.636 4.556 0.005 0.000 0.300 393 H C 2.057 177.287 175.328 -0.164 0.000 1.087 393 H CA 1.353 57.329 56.048 -0.119 0.000 1.319 393 H CB -0.521 29.156 29.762 -0.142 0.000 1.379 393 H HN 0.228 nan 8.280 nan 0.000 0.501 394 L N 0.194 121.251 121.223 -0.276 0.000 2.012 394 L HA -0.219 4.124 4.340 0.006 0.000 0.210 394 L C 2.928 179.644 176.870 -0.257 0.000 1.073 394 L CA 1.668 56.237 54.840 -0.453 0.000 0.748 394 L CB -0.568 41.303 42.059 -0.314 0.000 0.891 394 L HN 0.321 nan 8.230 nan 0.000 0.431 395 R N 0.586 121.008 120.500 -0.130 0.000 2.112 395 R HA -0.232 4.111 4.340 0.006 0.000 0.242 395 R C 1.748 178.105 176.300 0.095 0.000 1.137 395 R CA 2.500 58.617 56.100 0.027 0.000 0.944 395 R CB -0.606 29.607 30.300 -0.146 0.000 0.857 395 R HN 0.370 nan 8.270 nan 0.000 0.435 396 D N 0.171 120.549 120.400 -0.038 0.000 2.178 396 D HA -0.085 4.558 4.640 0.006 0.000 0.201 396 D C 1.754 178.019 176.300 -0.059 0.000 0.980 396 D CA 1.352 55.350 54.000 -0.004 0.000 0.842 396 D CB -0.252 40.531 40.800 -0.028 0.000 0.948 396 D HN 0.410 nan 8.370 nan 0.000 0.472 397 A N 0.778 123.438 122.820 -0.266 0.000 1.877 397 A HA -0.181 4.142 4.320 0.006 0.000 0.216 397 A C 2.162 179.797 177.584 0.084 0.000 1.186 397 A CA 1.683 53.621 52.037 -0.166 0.000 0.620 397 A CB -0.542 18.153 19.000 -0.508 0.000 0.822 397 A HN 0.154 nan 8.150 nan 0.000 0.443 398 M N 0.066 119.793 119.600 0.212 0.000 2.108 398 M HA -0.111 4.373 4.480 0.006 0.000 0.261 398 M C 2.300 178.647 176.300 0.078 0.000 1.066 398 M CA 2.139 57.611 55.300 0.286 0.000 1.107 398 M CB -0.568 32.276 32.600 0.407 0.000 1.356 398 M HN 0.437 nan 8.290 nan 0.000 0.406 399 S N -0.350 115.406 115.700 0.094 0.000 2.356 399 S HA -0.096 4.377 4.470 0.006 0.000 0.223 399 S C 2.082 176.735 174.600 0.089 0.000 1.032 399 S CA 1.576 59.838 58.200 0.104 0.000 1.005 399 S CB -0.659 62.660 63.200 0.198 0.000 0.867 399 S HN 0.629 nan 8.310 nan 0.000 0.449 400 A N 1.029 123.909 122.820 0.100 0.000 1.908 400 A HA -0.037 4.287 4.320 0.006 0.000 0.218 400 A C 2.369 179.971 177.584 0.029 0.000 1.181 400 A CA 1.962 54.085 52.037 0.143 0.000 0.627 400 A CB -1.259 17.917 19.000 0.294 0.000 0.818 400 A HN 0.470 nan 8.150 nan 0.000 0.445 401 V N -0.470 119.317 119.914 -0.211 0.000 2.231 401 V HA -0.281 3.843 4.120 0.006 0.000 0.248 401 V C 2.578 178.566 176.094 -0.176 0.000 1.054 401 V CA 2.245 64.360 62.300 -0.308 0.000 1.015 401 V CB -0.953 30.696 31.823 -0.291 0.000 0.638 401 V HN 0.379 nan 8.190 nan 0.000 0.444 402 V N 0.676 120.509 119.914 -0.135 0.000 2.343 402 V HA -0.202 3.922 4.120 0.006 0.000 0.247 402 V C 2.583 178.545 176.094 -0.221 0.000 1.051 402 V CA 2.238 64.422 62.300 -0.193 0.000 1.036 402 V CB -1.391 30.385 31.823 -0.077 0.000 0.654 402 V HN 0.645 nan 8.190 nan 0.000 0.451 403 G N -0.404 108.362 108.800 -0.057 0.000 2.421 403 G HA2 -0.231 3.733 3.960 0.006 0.000 0.216 403 G HA3 -0.231 3.733 3.960 0.006 0.000 0.216 403 G C 1.236 176.094 174.900 -0.070 0.000 1.171 403 G CA 1.029 46.130 45.100 0.001 0.000 0.775 403 G HN 0.512 nan 8.290 nan 0.000 0.543 404 D N -0.373 119.984 120.400 -0.072 0.000 2.123 404 D HA -0.056 4.588 4.640 0.006 0.000 0.200 404 D C 2.091 178.114 176.300 -0.462 0.000 0.976 404 D CA 1.129 55.064 54.000 -0.109 0.000 0.831 404 D CB -0.475 40.426 40.800 0.168 0.000 0.974 404 D HN 0.382 nan 8.370 nan 0.000 0.469 405 H N 1.118 119.626 119.070 -0.936 0.000 2.321 405 H HA 0.003 4.562 4.556 0.005 0.000 0.300 405 H C 1.525 176.494 175.328 -0.598 0.000 1.087 405 H CA 1.750 57.064 56.048 -1.223 0.000 1.319 405 H CB 0.046 28.997 29.762 -1.351 0.000 1.379 405 H HN 0.016 nan 8.280 nan 0.000 0.501 406 N N -0.776 117.568 118.700 -0.594 0.000 2.368 406 N HA -0.023 4.720 4.740 0.006 0.000 0.176 406 N C 1.514 177.028 175.510 0.005 0.000 1.021 406 N CA 1.209 54.025 53.050 -0.390 0.000 0.888 406 N CB 0.792 38.788 38.487 -0.819 0.000 0.995 406 N HN 0.267 nan 8.380 nan 0.000 0.437 407 V N -0.033 119.851 119.914 -0.050 0.000 2.950 407 V HA 0.053 4.177 4.120 0.006 0.000 0.231 407 V C 2.287 178.390 176.094 0.015 0.000 1.205 407 V CA 0.300 62.648 62.300 0.080 0.000 1.239 407 V CB -0.189 31.726 31.823 0.153 0.000 1.050 407 V HN -0.136 nan 8.190 nan 0.000 0.498 408 V N -0.046 119.864 119.914 -0.006 0.000 2.295 408 V HA -0.265 3.858 4.120 0.006 0.000 0.246 408 V C 2.502 178.585 176.094 -0.018 0.000 1.049 408 V CA 2.484 64.784 62.300 -0.001 0.000 1.024 408 V CB -0.785 31.062 31.823 0.039 0.000 0.648 408 V HN 0.642 nan 8.190 nan 0.000 0.447 409 c N -0.415 118.170 118.600 -0.025 0.000 2.475 409 c HA 0.036 4.610 4.570 0.006 0.000 0.279 409 c C 0.533 174.612 174.090 -0.018 0.000 1.322 409 c CA 0.680 57.021 56.329 0.020 0.000 1.734 409 c CB -1.751 40.820 42.510 0.102 0.000 2.005 409 c HN 0.456 nan 8.230 nan 0.000 0.495 410 P HA -0.090 nan 4.420 nan 0.000 0.216 410 P C 1.736 178.989 177.300 -0.079 0.000 1.150 410 P CA 1.404 64.450 63.100 -0.090 0.000 0.843 410 P CB -0.143 31.478 31.700 -0.132 0.000 0.787 411 V N -0.053 119.819 119.914 -0.071 0.000 2.358 411 V HA -0.226 3.898 4.120 0.006 0.000 0.246 411 V C 2.445 178.455 176.094 -0.139 0.000 1.047 411 V CA 2.197 64.436 62.300 -0.103 0.000 1.035 411 V CB -1.652 30.108 31.823 -0.104 0.000 0.658 411 V HN 0.096 nan 8.190 nan 0.000 0.452 412 A N -0.507 122.249 122.820 -0.107 0.000 1.902 412 A HA -0.300 4.023 4.320 0.006 0.000 0.217 412 A C 2.162 179.719 177.584 -0.044 0.000 1.181 412 A CA 2.196 54.174 52.037 -0.099 0.000 0.623 412 A CB -0.526 18.468 19.000 -0.010 0.000 0.818 412 A HN 0.554 nan 8.150 nan 0.000 0.443 413 Q N -0.490 119.300 119.800 -0.016 0.000 2.020 413 Q HA -0.158 4.185 4.340 0.006 0.000 0.202 413 Q C 1.898 177.882 176.000 -0.027 0.000 0.982 413 Q CA 1.941 57.746 55.803 0.004 0.000 0.838 413 Q CB -0.547 28.191 28.738 0.001 0.000 0.899 413 Q HN 0.514 nan 8.270 nan 0.000 0.423 414 L N 0.186 121.365 121.223 -0.074 0.000 2.012 414 L HA -0.138 4.206 4.340 0.006 0.000 0.210 414 L C 2.154 178.956 176.870 -0.112 0.000 1.073 414 L CA 2.404 57.183 54.840 -0.102 0.000 0.748 414 L CB -1.091 40.893 42.059 -0.125 0.000 0.891 414 L HN 0.301 nan 8.230 nan 0.000 0.431 415 A N -0.569 122.150 122.820 -0.168 0.000 1.883 415 A HA -0.106 4.218 4.320 0.006 0.000 0.217 415 A C 2.339 179.932 177.584 0.015 0.000 1.186 415 A CA 1.778 53.677 52.037 -0.230 0.000 0.624 415 A CB -1.705 16.888 19.000 -0.678 0.000 0.822 415 A HN 0.554 nan 8.150 nan 0.000 0.444 416 G N -0.381 108.488 108.800 0.115 0.000 2.545 416 G HA2 -0.273 3.691 3.960 0.006 0.000 0.217 416 G HA3 -0.273 3.691 3.960 0.006 0.000 0.217 416 G C 1.667 176.655 174.900 0.148 0.000 1.218 416 G CA 1.100 46.349 45.100 0.248 0.000 0.787 416 G HN 0.398 nan 8.290 nan 0.000 0.571 417 R N 0.421 120.973 120.500 0.088 0.000 2.097 417 R HA -0.026 4.318 4.340 0.006 0.000 0.236 417 R C 2.748 179.113 176.300 0.110 0.000 1.135 417 R CA 0.977 57.132 56.100 0.091 0.000 0.934 417 R CB -1.479 28.864 30.300 0.073 0.000 0.846 417 R HN 0.453 nan 8.270 nan 0.000 0.431 418 L N 0.213 121.455 121.223 0.032 0.000 1.990 418 L HA -0.234 4.109 4.340 0.006 0.000 0.213 418 L C 2.625 179.564 176.870 0.114 0.000 1.072 418 L CA 1.792 56.638 54.840 0.009 0.000 0.755 418 L CB -0.929 41.036 42.059 -0.155 0.000 0.889 418 L HN 0.217 nan 8.230 nan 0.000 0.432 419 A N 0.123 123.016 122.820 0.121 0.000 1.884 419 A HA -0.289 4.034 4.320 0.006 0.000 0.219 419 A C 2.547 180.199 177.584 0.113 0.000 1.197 419 A CA 2.412 54.531 52.037 0.136 0.000 0.637 419 A CB -0.929 18.193 19.000 0.203 0.000 0.827 419 A HN 0.472 nan 8.150 nan 0.000 0.450 420 A N -0.738 122.152 122.820 0.116 0.000 1.865 420 A HA -0.188 4.136 4.320 0.006 0.000 0.217 420 A C 1.765 179.414 177.584 0.108 0.000 1.191 420 A CA 1.618 53.712 52.037 0.096 0.000 0.623 420 A CB -0.593 18.462 19.000 0.091 0.000 0.826 420 A HN 0.568 nan 8.150 nan 0.000 0.444 421 Q N -0.532 119.365 119.800 0.162 0.000 2.476 421 Q HA 0.178 4.521 4.340 0.006 0.000 0.215 421 Q C 0.960 177.063 176.000 0.172 0.000 0.966 421 Q CA 0.770 56.680 55.803 0.178 0.000 0.976 421 Q CB -0.888 28.038 28.738 0.313 0.000 0.988 421 Q HN 1.148 nan 8.270 nan 0.000 0.526 422 G N -0.168 108.712 108.800 0.133 0.000 2.141 422 G HA2 -0.232 3.731 3.960 0.006 0.000 0.242 422 G HA3 -0.232 3.731 3.960 0.006 0.000 0.242 422 G C 0.260 175.232 174.900 0.119 0.000 0.982 422 G CA 0.027 45.188 45.100 0.102 0.000 0.662 422 G HN 0.675 nan 8.290 nan 0.000 0.527 423 A N -0.497 122.412 122.820 0.149 0.000 2.264 423 A HA 0.846 5.169 4.320 0.006 0.000 0.304 423 A C 0.566 178.202 177.584 0.086 0.000 1.100 423 A CA -0.032 52.086 52.037 0.135 0.000 0.839 423 A CB 0.589 19.671 19.000 0.137 0.000 1.121 423 A HN 0.707 nan 8.150 nan 0.000 0.496 424 R N 0.954 121.507 120.500 0.088 0.000 2.196 424 R HA 0.495 4.838 4.340 0.006 0.000 0.340 424 R C -1.461 174.873 176.300 0.058 0.000 1.043 424 R CA -0.044 56.086 56.100 0.049 0.000 0.883 424 R CB 0.304 30.666 30.300 0.102 0.000 1.078 424 R HN 0.451 nan 8.270 nan 0.000 0.462 425 V N 5.775 125.666 119.914 -0.038 0.000 2.513 425 V HA 0.389 4.512 4.120 0.006 0.000 0.299 425 V C -0.920 175.075 176.094 -0.165 0.000 1.035 425 V CA -0.698 61.597 62.300 -0.009 0.000 0.889 425 V CB 1.412 33.265 31.823 0.050 0.000 0.988 425 V HN 0.624 nan 8.190 nan 0.000 0.440 426 Y N 2.249 122.515 120.300 -0.056 0.000 2.393 426 Y HA 0.782 5.336 4.550 0.006 0.000 0.341 426 Y C 0.309 176.298 175.900 0.148 0.000 0.988 426 Y CA -0.559 57.502 58.100 -0.065 0.000 1.078 426 Y CB 2.168 40.227 38.460 -0.668 0.000 1.203 426 Y HN 0.738 nan 8.280 nan 0.000 0.453 427 A N 3.209 126.417 122.820 0.646 0.000 2.414 427 A HA 0.836 5.159 4.320 0.006 0.000 0.306 427 A C -1.809 176.139 177.584 0.607 0.000 1.054 427 A CA -0.693 51.586 52.037 0.402 0.000 0.724 427 A CB 0.926 19.978 19.000 0.087 0.000 1.267 427 A HN 0.741 nan 8.150 nan 0.000 0.418 428 Y N -0.240 120.286 120.300 0.376 0.000 2.634 428 Y HA 0.829 5.381 4.550 0.004 0.000 0.340 428 Y C -0.969 175.077 175.900 0.243 0.000 1.058 428 Y CA -1.781 56.484 58.100 0.276 0.000 1.081 428 Y CB 1.454 40.055 38.460 0.235 0.000 1.295 428 Y HN 0.677 nan 8.280 nan 0.000 0.487 429 I N 2.757 123.636 120.570 0.515 0.000 2.478 429 I HA 0.415 4.588 4.170 0.006 0.000 0.287 429 I C -1.861 174.583 176.117 0.546 0.000 1.042 429 I CA -0.974 60.583 61.300 0.429 0.000 1.067 429 I CB 1.087 39.257 38.000 0.283 0.000 1.233 429 I HN 0.749 nan 8.210 nan 0.000 0.431 430 F N 7.168 127.394 119.950 0.461 0.000 2.410 430 F HA 0.363 4.894 4.527 0.006 0.000 0.348 430 F C 0.696 176.638 175.800 0.236 0.000 1.106 430 F CA 0.301 58.510 58.000 0.348 0.000 1.163 430 F CB 1.007 40.220 39.000 0.355 0.000 1.129 430 F HN 0.567 nan 8.300 nan 0.000 0.516 431 E N 2.446 122.486 120.200 -0.267 0.000 2.601 431 E HA -0.027 4.326 4.350 0.006 0.000 0.219 431 E C -0.842 175.614 176.600 -0.240 0.000 0.964 431 E CA -0.143 56.177 56.400 -0.133 0.000 1.050 431 E CB 0.283 29.946 29.700 -0.061 0.000 1.068 431 E HN 0.514 nan 8.360 nan 0.000 0.496 432 H N 1.661 120.308 119.070 -0.706 0.000 2.705 432 H HA 0.185 4.744 4.556 0.005 0.000 0.291 432 H C -0.261 174.994 175.328 -0.121 0.000 1.085 432 H CA -0.453 55.281 56.048 -0.524 0.000 1.357 432 H CB 0.324 29.554 29.762 -0.888 0.000 1.419 432 H HN -0.125 nan 8.280 nan 0.000 0.462 433 R N 4.063 124.263 120.500 -0.500 0.000 2.401 433 R HA 0.374 4.717 4.340 0.006 0.000 0.299 433 R C -0.563 175.460 176.300 -0.462 0.000 1.064 433 R CA -0.345 55.581 56.100 -0.291 0.000 1.000 433 R CB 0.292 30.498 30.300 -0.157 0.000 0.973 433 R HN 0.756 nan 8.270 nan 0.000 0.438 434 A N 3.437 126.277 122.820 0.033 0.000 2.524 434 A HA 0.041 4.364 4.320 0.006 0.000 0.250 434 A C 1.391 179.028 177.584 0.088 0.000 1.078 434 A CA 0.385 52.604 52.037 0.303 0.000 0.761 434 A CB 0.370 19.675 19.000 0.509 0.000 1.012 434 A HN 1.031 nan 8.150 nan 0.000 0.500 435 S N 1.848 117.632 115.700 0.141 0.000 2.440 435 S HA -0.195 4.278 4.470 0.006 0.000 0.238 435 S C 1.494 176.056 174.600 -0.063 0.000 1.010 435 S CA 1.907 60.130 58.200 0.039 0.000 0.972 435 S CB -0.873 62.381 63.200 0.090 0.000 0.774 435 S HN 1.258 nan 8.310 nan 0.000 0.501 436 T N -1.009 113.456 114.554 -0.148 0.000 3.081 436 T HA 0.292 4.645 4.350 0.006 0.000 0.255 436 T C 0.556 175.163 174.700 -0.155 0.000 1.113 436 T CA -0.410 61.546 62.100 -0.239 0.000 1.082 436 T CB -0.644 67.930 68.868 -0.491 0.000 0.939 436 T HN 0.271 nan 8.240 nan 0.000 0.506 437 L N 3.934 125.102 121.223 -0.090 0.000 2.593 437 L HA 0.142 4.485 4.340 0.006 0.000 0.287 437 L C 1.528 178.328 176.870 -0.117 0.000 1.243 437 L CA 1.132 55.909 54.840 -0.105 0.000 0.890 437 L CB 0.669 42.669 42.059 -0.097 0.000 1.134 437 L HN 0.472 nan 8.230 nan 0.000 0.502 438 T N -0.510 113.937 114.554 -0.178 0.000 3.054 438 T HA 0.172 4.525 4.350 0.006 0.000 0.255 438 T C 0.170 174.793 174.700 -0.128 0.000 1.035 438 T CA -0.547 61.448 62.100 -0.175 0.000 0.941 438 T CB -0.336 68.373 68.868 -0.266 0.000 1.026 438 T HN 0.412 nan 8.240 nan 0.000 0.533 439 W N 3.051 124.317 121.300 -0.056 0.000 2.283 439 W HA 0.492 5.155 4.660 0.007 0.000 0.341 439 W C -2.116 174.304 176.519 -0.164 0.000 1.206 439 W CA -2.325 54.980 57.345 -0.066 0.000 1.294 439 W CB 0.301 29.654 29.460 -0.178 0.000 1.154 439 W HN -0.067 nan 8.180 nan 0.000 0.613 440 P HA 0.010 nan 4.420 nan 0.000 0.272 440 P C 0.668 177.905 177.300 -0.106 0.000 1.223 440 P CA 0.031 63.096 63.100 -0.059 0.000 0.784 440 P CB 0.848 32.524 31.700 -0.040 0.000 0.923 441 L N 0.948 122.172 121.223 0.003 0.000 2.103 441 L HA -0.198 4.146 4.340 0.006 0.000 0.215 441 L C 2.459 179.372 176.870 0.071 0.000 1.080 441 L CA 1.848 56.709 54.840 0.036 0.000 0.764 441 L CB -0.889 41.218 42.059 0.080 0.000 0.890 441 L HN 0.634 nan 8.230 nan 0.000 0.435 442 W N -1.351 119.992 121.300 0.072 0.000 2.525 442 W HA -0.117 4.546 4.660 0.005 0.000 0.259 442 W C 1.693 178.267 176.519 0.091 0.000 1.253 442 W CA 0.457 57.848 57.345 0.077 0.000 1.262 442 W CB -0.700 28.808 29.460 0.081 0.000 1.122 442 W HN 0.196 nan 8.180 nan 0.000 0.607 443 M N 1.308 120.635 119.600 -0.455 0.000 2.595 443 M HA 0.147 4.630 4.480 0.006 0.000 0.248 443 M C 1.755 177.975 176.300 -0.133 0.000 1.119 443 M CA 1.262 56.258 55.300 -0.507 0.000 1.079 443 M CB -0.505 31.646 32.600 -0.749 0.000 1.472 443 M HN 0.177 nan 8.290 nan 0.000 0.501 444 G N 0.849 109.627 108.800 -0.036 0.000 2.591 444 G HA2 -0.292 3.672 3.960 0.006 0.000 0.298 444 G HA3 -0.292 3.672 3.960 0.006 0.000 0.298 444 G C -0.113 174.798 174.900 0.019 0.000 1.195 444 G CA -0.108 45.007 45.100 0.024 0.000 0.989 444 G HN 0.243 nan 8.290 nan 0.000 0.551 445 V N 3.435 123.396 119.914 0.079 0.000 2.270 445 V HA 0.465 4.588 4.120 0.006 0.000 0.263 445 V C -1.883 174.315 176.094 0.173 0.000 1.066 445 V CA -0.813 61.578 62.300 0.153 0.000 0.857 445 V CB 0.987 32.955 31.823 0.241 0.000 1.099 445 V HN 0.523 nan 8.190 nan 0.000 0.476 446 P HA 0.196 nan 4.420 nan 0.000 0.277 446 P C -0.115 177.302 177.300 0.195 0.000 1.240 446 P CA -0.537 62.631 63.100 0.114 0.000 0.798 446 P CB 0.340 32.028 31.700 -0.019 0.000 0.979 447 H N 1.674 120.712 119.070 -0.055 0.000 3.212 447 H HA 0.072 4.631 4.556 0.005 0.000 0.292 447 H C 1.580 176.723 175.328 -0.308 0.000 0.922 447 H CA 2.440 58.381 56.048 -0.179 0.000 1.389 447 H CB -0.711 28.850 29.762 -0.336 0.000 1.321 447 H HN 0.798 nan 8.280 nan 0.000 0.563 448 G N 3.454 111.909 108.800 -0.576 0.000 2.195 448 G HA2 -0.324 3.639 3.960 0.006 0.000 0.246 448 G HA3 -0.324 3.639 3.960 0.006 0.000 0.246 448 G C 0.485 175.195 174.900 -0.315 0.000 0.984 448 G CA 0.401 45.168 45.100 -0.554 0.000 0.633 448 G HN 0.667 nan 8.290 nan 0.000 0.525 449 Y N 1.211 121.535 120.300 0.039 0.000 2.583 449 Y HA 0.301 4.854 4.550 0.005 0.000 0.294 449 Y C 2.104 178.066 175.900 0.104 0.000 1.170 449 Y CA 0.692 58.894 58.100 0.171 0.000 1.265 449 Y CB 0.476 39.084 38.460 0.247 0.000 1.119 449 Y HN 0.495 nan 8.280 nan 0.000 0.522 450 E N -0.161 119.930 120.200 -0.182 0.000 2.389 450 E HA -0.017 4.336 4.350 0.006 0.000 0.199 450 E C 1.518 177.972 176.600 -0.244 0.000 0.978 450 E CA 0.488 56.440 56.400 -0.747 0.000 0.912 450 E CB -0.297 28.534 29.700 -1.449 0.000 0.907 450 E HN 0.546 nan 8.360 nan 0.000 0.494 451 I N 3.005 123.527 120.570 -0.080 0.000 2.163 451 I HA -0.308 3.865 4.170 0.006 0.000 0.243 451 I C 2.723 178.831 176.117 -0.014 0.000 1.085 451 I CA 2.187 63.489 61.300 0.004 0.000 1.347 451 I CB -0.571 37.486 38.000 0.096 0.000 1.044 451 I HN 0.214 nan 8.210 nan 0.000 0.408 452 E N 1.125 121.279 120.200 -0.078 0.000 2.204 452 E HA -0.227 4.126 4.350 0.006 0.000 0.195 452 E C 2.019 178.410 176.600 -0.349 0.000 0.990 452 E CA 1.435 57.698 56.400 -0.228 0.000 0.821 452 E CB -0.465 29.087 29.700 -0.247 0.000 0.750 452 E HN 0.454 nan 8.360 nan 0.000 0.477 453 F N 1.359 121.220 119.950 -0.149 0.000 2.149 453 F HA -0.041 4.491 4.527 0.008 0.000 0.294 453 F C 2.367 177.959 175.800 -0.345 0.000 1.095 453 F CA 0.547 58.419 58.000 -0.213 0.000 1.276 453 F CB -0.157 38.830 39.000 -0.021 0.000 1.023 453 F HN -0.047 nan 8.300 nan 0.000 0.480 454 I N -0.596 119.827 120.570 -0.245 0.000 2.194 454 I HA -0.310 3.863 4.170 0.006 0.000 0.246 454 I C 2.171 178.061 176.117 -0.378 0.000 1.093 454 I CA 1.726 62.718 61.300 -0.514 0.000 1.355 454 I CB -1.628 35.931 38.000 -0.735 0.000 1.046 454 I HN 0.083 nan 8.210 nan 0.000 0.413 455 F N 0.812 120.580 119.950 -0.303 0.000 2.661 455 F HA 0.184 4.715 4.527 0.006 0.000 0.298 455 F C 1.994 177.667 175.800 -0.211 0.000 1.137 455 F CA 0.979 58.846 58.000 -0.223 0.000 1.454 455 F CB -0.251 38.600 39.000 -0.249 0.000 1.103 455 F HN 0.314 nan 8.300 nan 0.000 0.577 456 G N -0.301 108.355 108.800 -0.239 0.000 2.157 456 G HA2 -0.261 3.703 3.960 0.006 0.000 0.239 456 G HA3 -0.261 3.703 3.960 0.006 0.000 0.239 456 G C 1.202 175.522 174.900 -0.967 0.000 0.982 456 G CA 0.283 45.106 45.100 -0.462 0.000 0.650 456 G HN 0.275 nan 8.290 nan 0.000 0.527 457 L N 0.170 120.868 121.223 -0.874 0.000 2.064 457 L HA -0.150 4.193 4.340 0.006 0.000 0.216 457 L C 0.147 176.412 176.870 -1.008 0.000 1.077 457 L CA 2.804 57.068 54.840 -0.961 0.000 0.766 457 L CB -1.711 40.011 42.059 -0.562 0.000 0.890 457 L HN 0.253 nan 8.230 nan 0.000 0.435 458 P HA -0.114 nan 4.420 nan 0.000 0.231 458 P C 1.683 178.674 177.300 -0.515 0.000 1.158 458 P CA 0.862 63.290 63.100 -1.120 0.000 0.763 458 P CB 0.006 31.046 31.700 -1.100 0.000 0.805 459 L N -1.590 119.295 121.223 -0.564 0.000 2.478 459 L HA 0.044 4.388 4.340 0.006 0.000 0.223 459 L C 0.964 177.722 176.870 -0.187 0.000 1.140 459 L CA 0.590 55.238 54.840 -0.321 0.000 0.842 459 L CB -0.630 41.269 42.059 -0.267 0.000 0.953 459 L HN 0.018 nan 8.230 nan 0.000 0.452 460 D N 1.421 121.683 120.400 -0.230 0.000 2.352 460 D HA 0.104 4.747 4.640 0.006 0.000 0.245 460 D C -1.559 174.744 176.300 0.004 0.000 1.224 460 D CA -1.875 52.117 54.000 -0.014 0.000 0.879 460 D CB 1.771 42.607 40.800 0.060 0.000 1.057 460 D HN -0.097 nan 8.370 nan 0.000 0.491 461 P HA -0.198 nan 4.420 nan 0.000 0.217 461 P C 1.351 178.665 177.300 0.023 0.000 1.151 461 P CA 1.306 64.418 63.100 0.020 0.000 0.849 461 P CB 0.087 31.797 31.700 0.016 0.000 0.787 462 S N -1.489 114.223 115.700 0.021 0.000 2.507 462 S HA -0.046 4.427 4.470 0.006 0.000 0.235 462 S C 1.668 176.270 174.600 0.003 0.000 0.988 462 S CA 0.664 58.869 58.200 0.008 0.000 0.944 462 S CB -1.308 61.895 63.200 0.005 0.000 0.762 462 S HN 0.114 nan 8.310 nan 0.000 0.526 463 L N 0.595 121.838 121.223 0.034 0.000 2.558 463 L HA 0.188 4.531 4.340 0.006 0.000 0.225 463 L C 0.331 177.171 176.870 -0.049 0.000 1.128 463 L CA 0.033 54.895 54.840 0.036 0.000 0.868 463 L CB -0.664 41.496 42.059 0.169 0.000 1.006 463 L HN 0.261 nan 8.230 nan 0.000 0.454 464 N N -1.716 116.977 118.700 -0.012 0.000 2.829 464 N HA -0.213 4.530 4.740 0.006 0.000 0.250 464 N C -0.437 175.020 175.510 -0.088 0.000 1.090 464 N CA 0.777 53.788 53.050 -0.065 0.000 0.781 464 N CB -1.748 36.668 38.487 -0.118 0.000 1.124 464 N HN 0.285 nan 8.380 nan 0.000 0.559 465 Y N 0.995 121.272 120.300 -0.038 0.000 2.326 465 Y HA 0.189 4.743 4.550 0.005 0.000 0.333 465 Y C 1.952 177.866 175.900 0.023 0.000 1.240 465 Y CA 0.247 58.346 58.100 -0.001 0.000 1.365 465 Y CB 0.504 38.944 38.460 -0.035 0.000 1.289 465 Y HN 0.081 nan 8.280 nan 0.000 0.548 466 T N -2.259 112.426 114.554 0.219 0.000 2.802 466 T HA -0.002 4.352 4.350 0.006 0.000 0.305 466 T C 1.169 175.946 174.700 0.128 0.000 1.053 466 T CA -0.220 61.964 62.100 0.140 0.000 1.058 466 T CB 0.790 69.735 68.868 0.128 0.000 0.988 466 T HN 0.757 nan 8.240 nan 0.000 0.539 467 T N 1.571 116.172 114.554 0.077 0.000 2.759 467 T HA -0.085 4.268 4.350 0.006 0.000 0.269 467 T C 1.728 176.463 174.700 0.058 0.000 1.042 467 T CA 1.928 64.061 62.100 0.055 0.000 1.140 467 T CB -0.368 68.520 68.868 0.034 0.000 0.864 467 T HN 0.779 nan 8.240 nan 0.000 0.455 468 E N 1.013 121.247 120.200 0.056 0.000 2.152 468 E HA -0.020 4.333 4.350 0.006 0.000 0.192 468 E C 2.183 178.822 176.600 0.064 0.000 0.983 468 E CA 0.663 57.080 56.400 0.028 0.000 0.818 468 E CB -0.127 29.561 29.700 -0.021 0.000 0.758 468 E HN 0.546 nan 8.360 nan 0.000 0.467 469 E N 0.470 120.753 120.200 0.139 0.000 2.106 469 E HA -0.130 4.223 4.350 0.006 0.000 0.192 469 E C 2.047 178.794 176.600 0.245 0.000 0.984 469 E CA 0.453 57.045 56.400 0.319 0.000 0.806 469 E CB 0.020 30.033 29.700 0.521 0.000 0.750 469 E HN 0.021 nan 8.360 nan 0.000 0.458 470 R N 0.873 121.436 120.500 0.105 0.000 2.115 470 R HA -0.107 4.236 4.340 0.006 0.000 0.230 470 R C 1.987 178.296 176.300 0.016 0.000 1.111 470 R CA 0.933 57.035 56.100 0.003 0.000 0.976 470 R CB -0.150 30.145 30.300 -0.010 0.000 0.870 470 R HN 0.214 nan 8.270 nan 0.000 0.445 471 I N -0.133 120.473 120.570 0.059 0.000 2.406 471 I HA -0.200 3.974 4.170 0.006 0.000 0.249 471 I C 2.036 178.205 176.117 0.086 0.000 1.122 471 I CA 0.530 61.858 61.300 0.047 0.000 1.431 471 I CB -0.274 37.751 38.000 0.040 0.000 1.087 471 I HN 0.045 nan 8.210 nan 0.000 0.424 472 F N 1.849 121.775 119.950 -0.039 0.000 2.113 472 F HA -0.172 4.358 4.527 0.004 0.000 0.297 472 F C 2.456 178.264 175.800 0.013 0.000 1.103 472 F CA 1.220 59.193 58.000 -0.044 0.000 1.248 472 F CB -0.726 38.206 39.000 -0.114 0.000 0.999 472 F HN 0.027 nan 8.300 nan 0.000 0.475 473 A N 0.233 123.043 122.820 -0.016 0.000 1.892 473 A HA -0.298 4.025 4.320 0.006 0.000 0.218 473 A C 2.178 179.638 177.584 -0.206 0.000 1.188 473 A CA 2.178 54.127 52.037 -0.147 0.000 0.631 473 A CB -1.065 17.837 19.000 -0.164 0.000 0.822 473 A HN 0.625 nan 8.150 nan 0.000 0.447 474 Q N -1.387 118.329 119.800 -0.141 0.000 2.124 474 Q HA -0.163 4.181 4.340 0.006 0.000 0.202 474 Q C 2.398 178.295 176.000 -0.171 0.000 0.977 474 Q CA 1.432 57.157 55.803 -0.130 0.000 0.850 474 Q CB -0.151 28.538 28.738 -0.082 0.000 0.901 474 Q HN 0.677 nan 8.270 nan 0.000 0.429 475 R N 0.538 120.919 120.500 -0.199 0.000 2.066 475 R HA -0.086 4.258 4.340 0.006 0.000 0.232 475 R C 2.234 178.239 176.300 -0.492 0.000 1.131 475 R CA 0.904 56.810 56.100 -0.323 0.000 0.955 475 R CB -0.105 30.085 30.300 -0.183 0.000 0.851 475 R HN 0.224 nan 8.270 nan 0.000 0.432 476 L N 0.070 121.083 121.223 -0.349 0.000 2.017 476 L HA -0.215 4.129 4.340 0.006 0.000 0.208 476 L C 2.598 179.436 176.870 -0.053 0.000 1.073 476 L CA 1.459 56.204 54.840 -0.159 0.000 0.745 476 L CB -0.303 41.500 42.059 -0.426 0.000 0.894 476 L HN 0.315 nan 8.230 nan 0.000 0.432 477 M N -0.852 118.649 119.600 -0.164 0.000 2.149 477 M HA -0.214 4.269 4.480 0.006 0.000 0.261 477 M C 2.326 178.629 176.300 0.006 0.000 1.064 477 M CA 1.598 56.839 55.300 -0.097 0.000 1.102 477 M CB -0.275 32.248 32.600 -0.128 0.000 1.369 477 M HN 0.067 nan 8.290 nan 0.000 0.408 478 K N -0.225 120.136 120.400 -0.064 0.000 2.032 478 K HA -0.168 4.155 4.320 0.006 0.000 0.209 478 K C 1.904 178.564 176.600 0.099 0.000 1.048 478 K CA 1.722 57.984 56.287 -0.041 0.000 0.927 478 K CB -0.465 31.947 32.500 -0.146 0.000 0.712 478 K HN 0.326 nan 8.250 nan 0.000 0.441 479 Y N -0.166 120.264 120.300 0.217 0.000 2.097 479 Y HA -0.248 4.306 4.550 0.008 0.000 0.282 479 Y C 2.439 178.484 175.900 0.242 0.000 1.152 479 Y CA 0.814 59.083 58.100 0.282 0.000 1.136 479 Y CB -0.883 37.884 38.460 0.512 0.000 0.975 479 Y HN 0.239 nan 8.280 nan 0.000 0.498 480 W N 0.537 121.923 121.300 0.144 0.000 2.379 480 W HA -0.227 4.436 4.660 0.005 0.000 0.307 480 W C 2.583 179.105 176.519 0.006 0.000 1.200 480 W CA 2.267 59.631 57.345 0.032 0.000 1.297 480 W CB -0.660 28.752 29.460 -0.081 0.000 1.140 480 W HN 0.248 nan 8.180 nan 0.000 0.507 481 T N -1.714 112.949 114.554 0.182 0.000 2.777 481 T HA -0.171 4.183 4.350 0.006 0.000 0.266 481 T C 1.478 176.206 174.700 0.047 0.000 1.040 481 T CA 1.351 63.489 62.100 0.063 0.000 1.141 481 T CB -0.690 68.195 68.868 0.028 0.000 0.868 481 T HN -0.095 nan 8.240 nan 0.000 0.444 482 N N 1.056 119.800 118.700 0.073 0.000 2.061 482 N HA -0.057 4.686 4.740 0.006 0.000 0.193 482 N C 1.398 176.897 175.510 -0.019 0.000 1.030 482 N CA 1.284 54.353 53.050 0.033 0.000 0.856 482 N CB -0.800 37.727 38.487 0.066 0.000 1.023 482 N HN 0.503 nan 8.380 nan 0.000 0.424 483 F N 1.564 121.427 119.950 -0.146 0.000 2.126 483 F HA -0.143 4.388 4.527 0.005 0.000 0.299 483 F C 2.177 177.887 175.800 -0.150 0.000 1.096 483 F CA 1.406 59.264 58.000 -0.236 0.000 1.255 483 F CB -0.406 38.363 39.000 -0.386 0.000 0.997 483 F HN 0.050 nan 8.300 nan 0.000 0.479 484 A N 0.543 123.314 122.820 -0.083 0.000 1.883 484 A HA -0.207 4.117 4.320 0.006 0.000 0.217 484 A C 2.368 179.846 177.584 -0.178 0.000 1.186 484 A CA 1.853 53.815 52.037 -0.124 0.000 0.624 484 A CB -0.754 18.226 19.000 -0.033 0.000 0.822 484 A HN 0.451 nan 8.150 nan 0.000 0.444 485 R N -1.221 119.200 120.500 -0.131 0.000 2.075 485 R HA -0.086 4.257 4.340 0.006 0.000 0.232 485 R C 2.070 178.279 176.300 -0.151 0.000 1.126 485 R CA 1.917 57.952 56.100 -0.109 0.000 0.963 485 R CB -0.238 30.024 30.300 -0.063 0.000 0.858 485 R HN 0.750 nan 8.270 nan 0.000 0.435 486 T N -5.565 108.866 114.554 -0.204 0.000 2.975 486 T HA 0.233 4.586 4.350 0.006 0.000 0.261 486 T C 1.192 175.740 174.700 -0.254 0.000 0.984 486 T CA 0.399 62.391 62.100 -0.180 0.000 0.911 486 T CB 1.305 70.103 68.868 -0.117 0.000 1.127 486 T HN 0.331 nan 8.240 nan 0.000 0.514 487 G N 1.547 110.052 108.800 -0.490 0.000 2.148 487 G HA2 -0.175 3.789 3.960 0.006 0.000 0.254 487 G HA3 -0.175 3.789 3.960 0.006 0.000 0.254 487 G C -0.326 174.370 174.900 -0.340 0.000 0.981 487 G CA 0.266 44.979 45.100 -0.644 0.000 0.670 487 G HN 0.891 nan 8.290 nan 0.000 0.528 488 D N -0.999 119.231 120.400 -0.282 0.000 2.890 488 D HA 0.452 5.096 4.640 0.006 0.000 0.233 488 D C -1.166 174.981 176.300 -0.255 0.000 1.306 488 D CA -1.567 52.266 54.000 -0.279 0.000 0.929 488 D CB 1.886 42.634 40.800 -0.087 0.000 1.512 488 D HN -0.019 nan 8.370 nan 0.000 0.568 489 P HA -0.061 nan 4.420 nan 0.000 0.223 489 P C 0.034 177.385 177.300 0.085 0.000 1.151 489 P CA 0.217 63.190 63.100 -0.211 0.000 0.787 489 P CB 0.365 31.665 31.700 -0.667 0.000 0.788 490 N N 1.283 119.997 118.700 0.023 0.000 2.444 490 N HA 0.016 4.760 4.740 0.006 0.000 0.255 490 N C 0.105 175.693 175.510 0.129 0.000 1.255 490 N CA 0.324 53.473 53.050 0.165 0.000 0.933 490 N CB 0.504 39.080 38.487 0.148 0.000 1.143 490 N HN 0.045 nan 8.380 nan 0.000 0.453 491 D N 0.807 121.294 120.400 0.145 0.000 2.277 491 D HA 0.151 4.794 4.640 0.006 0.000 0.249 491 D C -1.506 174.837 176.300 0.072 0.000 1.134 491 D CA -1.595 52.460 54.000 0.092 0.000 0.863 491 D CB 1.503 42.355 40.800 0.086 0.000 1.143 491 D HN 0.234 nan 8.370 nan 0.000 0.458 492 P HA -0.017 nan 4.420 nan 0.000 0.219 492 P C 1.025 178.349 177.300 0.040 0.000 1.150 492 P CA 0.928 64.052 63.100 0.040 0.000 0.814 492 P CB 0.630 32.344 31.700 0.024 0.000 0.787 493 R N -0.227 120.296 120.500 0.038 0.000 2.060 493 R HA 0.027 4.371 4.340 0.006 0.000 0.218 493 R C 0.730 177.056 176.300 0.043 0.000 1.200 493 R CA 0.446 56.567 56.100 0.035 0.000 0.935 493 R CB -1.352 28.965 30.300 0.028 0.000 0.814 493 R HN 0.059 nan 8.270 nan 0.000 0.460 494 D N 0.554 120.981 120.400 0.045 0.000 2.554 494 D HA -0.081 4.562 4.640 0.006 0.000 0.251 494 D C -0.277 176.062 176.300 0.066 0.000 1.213 494 D CA 0.760 54.791 54.000 0.051 0.000 0.900 494 D CB 0.556 41.386 40.800 0.050 0.000 1.135 494 D HN 0.117 nan 8.370 nan 0.000 0.522 495 S N 2.595 118.331 115.700 0.059 0.000 2.855 495 S HA 0.167 4.641 4.470 0.006 0.000 0.249 495 S C 1.183 175.820 174.600 0.061 0.000 1.033 495 S CA -0.485 57.754 58.200 0.066 0.000 1.038 495 S CB 0.043 63.278 63.200 0.058 0.000 0.960 495 S HN 0.283 nan 8.310 nan 0.000 0.548 496 K N 1.304 121.738 120.400 0.057 0.000 2.098 496 K HA 0.289 4.612 4.320 0.006 0.000 0.203 496 K C 0.628 177.267 176.600 0.065 0.000 1.051 496 K CA 0.459 56.778 56.287 0.053 0.000 0.957 496 K CB -0.184 32.342 32.500 0.043 0.000 0.738 496 K HN 0.195 nan 8.250 nan 0.000 0.447 497 S N 2.628 118.376 115.700 0.080 0.000 2.558 497 S HA 0.104 4.578 4.470 0.006 0.000 0.288 497 S C -2.437 172.233 174.600 0.116 0.000 1.318 497 S CA -0.899 57.364 58.200 0.104 0.000 1.056 497 S CB 0.306 63.587 63.200 0.135 0.000 0.853 497 S HN 0.050 nan 8.310 nan 0.000 0.505 498 P HA 0.123 nan 4.420 nan 0.000 0.271 498 P C -0.271 177.119 177.300 0.150 0.000 1.216 498 P CA -0.345 62.818 63.100 0.106 0.000 0.771 498 P CB 0.377 32.122 31.700 0.075 0.000 0.864 499 Q N 1.183 121.074 119.800 0.152 0.000 2.395 499 Q HA 0.017 4.360 4.340 0.006 0.000 0.271 499 Q C -0.507 175.657 176.000 0.273 0.000 1.026 499 Q CA 0.527 56.453 55.803 0.206 0.000 0.900 499 Q CB 0.407 29.248 28.738 0.172 0.000 1.266 499 Q HN 0.552 nan 8.270 nan 0.000 0.430 500 W N 6.352 127.723 121.300 0.119 0.000 2.283 500 W HA 0.324 4.987 4.660 0.005 0.000 0.317 500 W C -2.446 174.223 176.519 0.250 0.000 1.042 500 W CA -2.765 54.666 57.345 0.144 0.000 1.348 500 W CB 0.532 30.035 29.460 0.072 0.000 1.216 500 W HN 0.378 nan 8.180 nan 0.000 0.404 501 P HA 0.217 nan 4.420 nan 0.000 0.278 501 P C -2.541 174.890 177.300 0.218 0.000 1.238 501 P CA -1.522 61.764 63.100 0.310 0.000 0.794 501 P CB 0.710 32.527 31.700 0.194 0.000 0.955 502 P HA -0.022 nan 4.420 nan 0.000 0.266 502 P C -0.516 176.754 177.300 -0.051 0.000 1.193 502 P CA 0.336 63.179 63.100 -0.429 0.000 0.770 502 P CB 0.009 31.485 31.700 -0.373 0.000 0.836 503 Y N 3.000 123.234 120.300 -0.111 0.000 2.402 503 Y HA 0.306 4.862 4.550 0.010 0.000 0.333 503 Y C 0.483 176.373 175.900 -0.016 0.000 1.076 503 Y CA 0.425 58.536 58.100 0.019 0.000 1.299 503 Y CB 0.224 38.724 38.460 0.068 0.000 1.197 503 Y HN 0.373 nan 8.280 nan 0.000 0.517 504 T N 0.812 115.147 114.554 -0.366 0.000 2.924 504 T HA 0.233 4.586 4.350 0.006 0.000 0.291 504 T C 0.836 175.282 174.700 -0.424 0.000 1.045 504 T CA -0.519 61.424 62.100 -0.262 0.000 1.015 504 T CB 1.587 70.369 68.868 -0.142 0.000 1.103 504 T HN 0.589 nan 8.240 nan 0.000 0.496 505 T N 1.181 115.625 114.554 -0.184 0.000 2.720 505 T HA -0.060 4.294 4.350 0.006 0.000 0.268 505 T C 2.263 176.891 174.700 -0.120 0.000 1.037 505 T CA 1.863 63.894 62.100 -0.115 0.000 1.144 505 T CB -0.804 68.054 68.868 -0.016 0.000 0.864 505 T HN 0.812 nan 8.240 nan 0.000 0.444 506 A N 0.851 123.611 122.820 -0.099 0.000 1.855 506 A HA 0.264 4.587 4.320 0.006 0.000 0.215 506 A C 2.439 179.976 177.584 -0.079 0.000 1.191 506 A CA 1.821 53.819 52.037 -0.065 0.000 0.613 506 A CB -0.804 18.170 19.000 -0.043 0.000 0.829 506 A HN 0.514 nan 8.150 nan 0.000 0.442 507 A N -2.400 120.349 122.820 -0.119 0.000 2.063 507 A HA 0.283 4.606 4.320 0.006 0.000 0.211 507 A C 0.895 178.402 177.584 -0.129 0.000 1.177 507 A CA 0.783 52.764 52.037 -0.094 0.000 0.759 507 A CB -0.182 18.779 19.000 -0.065 0.000 0.857 507 A HN 0.525 nan 8.150 nan 0.000 0.468 508 Q N -0.140 119.461 119.800 -0.331 0.000 2.452 508 Q HA -0.207 4.136 4.340 0.006 0.000 0.318 508 Q C -0.933 175.065 176.000 -0.003 0.000 1.386 508 Q CA 0.683 56.200 55.803 -0.476 0.000 0.872 508 Q CB -1.699 26.972 28.738 -0.111 0.000 1.151 508 Q HN 0.839 nan 8.270 nan 0.000 0.417 509 Q N 0.504 120.320 119.800 0.027 0.000 2.256 509 Q HA 0.634 4.978 4.340 0.006 0.000 0.257 509 Q C -0.525 175.740 176.000 0.442 0.000 0.936 509 Q CA -0.477 55.440 55.803 0.189 0.000 0.903 509 Q CB 1.039 29.827 28.738 0.084 0.000 1.263 509 Q HN 0.363 nan 8.270 nan 0.000 0.440 510 Y N -1.445 119.000 120.300 0.241 0.000 2.644 510 Y HA 0.778 5.339 4.550 0.018 0.000 0.338 510 Y C -1.026 174.897 175.900 0.038 0.000 1.119 510 Y CA -1.479 56.760 58.100 0.232 0.000 1.060 510 Y CB 0.621 39.214 38.460 0.221 0.000 1.294 510 Y HN 0.385 nan 8.280 nan 0.000 0.472 511 V N -0.538 119.335 119.914 -0.068 0.000 3.019 511 V HA 0.867 4.991 4.120 0.006 0.000 0.317 511 V C -0.315 175.724 176.094 -0.091 0.000 1.094 511 V CA -0.560 61.544 62.300 -0.326 0.000 1.000 511 V CB 1.357 32.715 31.823 -0.775 0.000 1.060 511 V HN 1.213 nan 8.190 nan 0.000 0.443 512 S N 2.831 118.469 115.700 -0.103 0.000 2.480 512 S HA 0.734 5.207 4.470 0.006 0.000 0.286 512 S C -0.542 174.048 174.600 -0.018 0.000 1.180 512 S CA -0.701 57.509 58.200 0.017 0.000 1.075 512 S CB 0.771 63.973 63.200 0.004 0.000 0.996 512 S HN 0.781 nan 8.310 nan 0.000 0.487 513 L N 4.066 125.325 121.223 0.061 0.000 2.262 513 L HA 0.540 4.883 4.340 0.006 0.000 0.288 513 L C -0.247 176.548 176.870 -0.124 0.000 1.035 513 L CA -0.424 54.479 54.840 0.105 0.000 0.820 513 L CB 0.014 42.229 42.059 0.260 0.000 1.204 513 L HN 0.955 nan 8.230 nan 0.000 0.424 514 N N 1.864 120.412 118.700 -0.254 0.000 3.364 514 N HA 0.315 5.058 4.740 0.006 0.000 0.294 514 N C 0.135 175.135 175.510 -0.850 0.000 1.562 514 N CA -0.992 51.640 53.050 -0.696 0.000 0.862 514 N CB 0.655 38.919 38.487 -0.371 0.000 1.691 514 N HN 0.208 nan 8.380 nan 0.000 0.572 515 L N -0.953 119.773 121.223 -0.828 0.000 2.353 515 L HA 0.035 4.379 4.340 0.006 0.000 0.220 515 L C 0.546 177.241 176.870 -0.292 0.000 1.133 515 L CA 1.012 55.467 54.840 -0.642 0.000 0.798 515 L CB -0.554 41.201 42.059 -0.506 0.000 0.922 515 L HN 0.394 nan 8.230 nan 0.000 0.445 516 K N -0.119 120.151 120.400 -0.217 0.000 2.090 516 K HA 0.305 4.629 4.320 0.006 0.000 0.250 516 K C -2.164 174.408 176.600 -0.046 0.000 1.004 516 K CA -1.919 54.306 56.287 -0.103 0.000 0.919 516 K CB 0.156 32.605 32.500 -0.084 0.000 1.045 516 K HN -0.236 nan 8.250 nan 0.000 0.471 517 P HA -0.030 nan 4.420 nan 0.000 0.271 517 P C -0.393 176.925 177.300 0.029 0.000 1.233 517 P CA -0.191 62.931 63.100 0.038 0.000 0.789 517 P CB 0.401 32.121 31.700 0.034 0.000 0.951 518 L N 1.458 122.717 121.223 0.061 0.000 2.578 518 L HA -0.048 4.296 4.340 0.006 0.000 0.279 518 L C 1.023 177.873 176.870 -0.033 0.000 1.227 518 L CA 0.981 55.820 54.840 -0.002 0.000 0.900 518 L CB -0.280 41.779 42.059 0.001 0.000 1.144 518 L HN 0.532 nan 8.230 nan 0.000 0.496 519 E N 3.193 123.347 120.200 -0.077 0.000 2.210 519 E HA 0.400 4.754 4.350 0.006 0.000 0.266 519 E C -1.306 175.211 176.600 -0.137 0.000 0.883 519 E CA -0.759 55.593 56.400 -0.080 0.000 0.761 519 E CB 2.074 31.734 29.700 -0.067 0.000 1.156 519 E HN 0.302 nan 8.360 nan 0.000 0.412 520 V N 4.520 124.361 119.914 -0.121 0.000 2.607 520 V HA 0.426 4.549 4.120 0.006 0.000 0.289 520 V C 0.336 176.288 176.094 -0.236 0.000 1.053 520 V CA -0.130 62.067 62.300 -0.171 0.000 0.996 520 V CB 1.216 32.990 31.823 -0.082 0.000 0.995 520 V HN 0.724 nan 8.190 nan 0.000 0.476 521 R N 3.202 123.434 120.500 -0.446 0.000 2.867 521 R HA 0.721 5.065 4.340 0.006 0.000 0.268 521 R C -1.015 175.044 176.300 -0.403 0.000 1.014 521 R CA -1.022 54.797 56.100 -0.470 0.000 0.946 521 R CB 2.504 32.404 30.300 -0.666 0.000 1.208 521 R HN 0.613 nan 8.270 nan 0.000 0.477 522 R N 0.020 120.456 120.500 -0.108 0.000 2.599 522 R HA 0.531 4.875 4.340 0.006 0.000 0.295 522 R C -0.776 175.668 176.300 0.240 0.000 0.963 522 R CA -0.642 55.500 56.100 0.071 0.000 0.883 522 R CB 2.195 32.516 30.300 0.035 0.000 1.171 522 R HN 0.875 nan 8.270 nan 0.000 0.450 523 G N 2.200 111.203 108.800 0.339 0.000 3.396 523 G HA2 -0.203 3.761 3.960 0.006 0.000 0.682 523 G HA3 -0.203 3.761 3.960 0.006 0.000 0.682 523 G C -1.132 174.007 174.900 0.397 0.000 0.924 523 G CA -0.922 44.374 45.100 0.326 0.000 0.770 523 G HN 0.335 nan 8.290 nan 0.000 0.484 524 L N 4.441 125.817 121.223 0.256 0.000 2.282 524 L HA 0.500 4.844 4.340 0.006 0.000 0.287 524 L C 1.619 178.533 176.870 0.073 0.000 1.075 524 L CA -0.531 54.304 54.840 -0.009 0.000 0.839 524 L CB 0.065 42.026 42.059 -0.164 0.000 1.219 524 L HN 0.702 nan 8.230 nan 0.000 0.434 525 R N 3.445 124.007 120.500 0.103 0.000 3.034 525 R HA -0.285 4.058 4.340 0.006 0.000 0.237 525 R C 1.341 177.749 176.300 0.179 0.000 0.861 525 R CA 0.653 56.848 56.100 0.159 0.000 0.588 525 R CB -1.780 28.626 30.300 0.176 0.000 1.035 525 R HN 0.795 nan 8.270 nan 0.000 0.488 526 A N 0.977 123.902 122.820 0.174 0.000 1.873 526 A HA -0.264 4.060 4.320 0.006 0.000 0.218 526 A C 2.066 179.753 177.584 0.171 0.000 1.193 526 A CA 1.307 53.446 52.037 0.169 0.000 0.629 526 A CB -0.124 18.969 19.000 0.155 0.000 0.826 526 A HN 0.454 nan 8.150 nan 0.000 0.447 527 Q N -0.630 119.268 119.800 0.164 0.000 2.020 527 Q HA -0.118 4.225 4.340 0.006 0.000 0.202 527 Q C 2.303 178.441 176.000 0.229 0.000 0.982 527 Q CA 2.146 58.051 55.803 0.171 0.000 0.838 527 Q CB -1.273 27.549 28.738 0.140 0.000 0.899 527 Q HN 0.695 nan 8.270 nan 0.000 0.423 528 T N 0.677 115.393 114.554 0.269 0.000 2.746 528 T HA -0.135 4.219 4.350 0.006 0.000 0.267 528 T C 2.089 177.011 174.700 0.369 0.000 1.039 528 T CA 1.312 63.603 62.100 0.319 0.000 1.142 528 T CB -0.377 68.731 68.868 0.399 0.000 0.866 528 T HN 0.309 nan 8.240 nan 0.000 0.444 529 c N 1.566 120.369 118.600 0.338 0.000 2.446 529 c HA 0.252 4.825 4.570 0.006 0.000 0.279 529 c C 3.172 177.429 174.090 0.279 0.000 1.366 529 c CA -0.045 56.491 56.329 0.345 0.000 1.763 529 c CB -1.451 41.202 42.510 0.239 0.000 1.929 529 c HN 0.650 nan 8.230 nan 0.000 0.509 530 A N 0.156 123.112 122.820 0.226 0.000 1.933 530 A HA -0.187 4.136 4.320 0.006 0.000 0.218 530 A C 1.857 179.552 177.584 0.185 0.000 1.175 530 A CA 1.578 53.724 52.037 0.181 0.000 0.628 530 A CB -0.753 18.340 19.000 0.155 0.000 0.814 530 A HN 0.565 nan 8.150 nan 0.000 0.444 531 F N -0.814 119.139 119.950 0.005 0.000 2.051 531 F HA -0.174 4.355 4.527 0.005 0.000 0.296 531 F C 1.996 177.754 175.800 -0.069 0.000 1.122 531 F CA 1.917 59.840 58.000 -0.130 0.000 1.201 531 F CB -0.539 38.111 39.000 -0.584 0.000 0.978 531 F HN 0.369 nan 8.300 nan 0.000 0.472 532 W N 0.722 122.044 121.300 0.037 0.000 2.379 532 W HA -0.147 4.515 4.660 0.003 0.000 0.307 532 W C 2.289 178.774 176.519 -0.058 0.000 1.200 532 W CA 1.151 58.471 57.345 -0.042 0.000 1.297 532 W CB -0.744 28.819 29.460 0.171 0.000 1.140 532 W HN -0.018 nan 8.180 nan 0.000 0.507 533 N N -0.177 118.666 118.700 0.237 0.000 2.300 533 N HA -0.029 4.715 4.740 0.006 0.000 0.179 533 N C 1.499 177.047 175.510 0.064 0.000 1.016 533 N CA 1.183 54.313 53.050 0.132 0.000 0.876 533 N CB -0.329 38.234 38.487 0.128 0.000 0.979 533 N HN 0.221 nan 8.380 nan 0.000 0.432 534 R N -1.344 119.192 120.500 0.060 0.000 2.140 534 R HA 0.241 4.585 4.340 0.006 0.000 0.200 534 R C 1.550 177.865 176.300 0.026 0.000 1.069 534 R CA 0.056 56.186 56.100 0.051 0.000 1.088 534 R CB -0.332 30.021 30.300 0.089 0.000 1.012 534 R HN 0.081 nan 8.270 nan 0.000 0.500 535 F N 1.221 121.080 119.950 -0.151 0.000 2.147 535 F HA 0.065 4.595 4.527 0.006 0.000 0.291 535 F C 1.836 177.462 175.800 -0.291 0.000 1.093 535 F CA 0.772 58.653 58.000 -0.198 0.000 1.263 535 F CB -0.313 38.573 39.000 -0.191 0.000 1.036 535 F HN -0.119 nan 8.300 nan 0.000 0.481 536 L N 1.196 122.015 121.223 -0.674 0.000 2.043 536 L HA -0.117 4.226 4.340 0.006 0.000 0.212 536 L C -0.869 175.702 176.870 -0.498 0.000 1.075 536 L CA 2.025 56.400 54.840 -0.776 0.000 0.752 536 L CB -1.621 40.001 42.059 -0.729 0.000 0.891 536 L HN 0.039 nan 8.230 nan 0.000 0.432 537 P HA -0.224 nan 4.420 nan 0.000 0.215 537 P C 1.277 178.436 177.300 -0.235 0.000 1.157 537 P CA 1.769 64.755 63.100 -0.191 0.000 0.874 537 P CB -0.058 31.575 31.700 -0.111 0.000 0.790 538 K N -1.072 119.153 120.400 -0.292 0.000 2.147 538 K HA -0.116 4.208 4.320 0.006 0.000 0.205 538 K C 1.859 178.273 176.600 -0.310 0.000 1.049 538 K CA 0.837 56.970 56.287 -0.256 0.000 0.936 538 K CB -0.760 31.613 32.500 -0.212 0.000 0.722 538 K HN 0.058 nan 8.250 nan 0.000 0.446 539 L N 0.805 121.723 121.223 -0.508 0.000 2.456 539 L HA -0.045 4.298 4.340 0.006 0.000 0.224 539 L C 0.997 177.731 176.870 -0.228 0.000 1.148 539 L CA 1.279 55.876 54.840 -0.406 0.000 0.825 539 L CB 0.032 41.747 42.059 -0.573 0.000 0.937 539 L HN 0.095 nan 8.230 nan 0.000 0.450 540 L N -1.058 120.043 121.223 -0.203 0.000 2.912 540 L HA 0.208 4.552 4.340 0.006 0.000 0.240 540 L C 0.444 177.258 176.870 -0.094 0.000 1.262 540 L CA -0.083 54.683 54.840 -0.123 0.000 1.058 540 L CB -0.211 41.786 42.059 -0.102 0.000 1.383 540 L HN -0.029 nan 8.230 nan 0.000 0.512 541 S N 1.614 117.256 115.700 -0.097 0.000 3.170 541 S HA 0.595 5.069 4.470 0.006 0.000 0.257 541 S C 0.764 175.333 174.600 -0.053 0.000 1.284 541 S CA -0.089 58.071 58.200 -0.066 0.000 0.973 541 S CB 0.461 63.623 63.200 -0.063 0.000 1.330 541 S HN 0.528 nan 8.310 nan 0.000 0.493 542 A N 0.000 122.793 122.820 -0.044 0.000 2.254 542 A HA 0.000 4.323 4.320 0.006 0.000 0.244 542 A CA 0.000 52.017 52.037 -0.033 0.000 0.836 542 A CB 0.000 18.986 19.000 -0.024 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486