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 2jgh_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 0.000 176.614 176.600 0.023 0.000 1.382 1 E CA 0.000 56.417 56.400 0.029 0.000 0.976 1 E CB 0.000 29.719 29.700 0.032 0.000 0.812 2 G N 1.334 110.146 108.800 0.020 0.000 5.045 2 G HA2 -0.361 3.604 3.960 0.008 0.000 0.229 2 G HA3 -0.361 3.604 3.960 0.008 0.000 0.229 2 G C 1.173 176.083 174.900 0.017 0.000 1.440 2 G CA 0.689 45.799 45.100 0.016 0.000 0.936 2 G HN 0.234 nan 8.290 nan 0.000 0.690 3 R N 2.003 122.513 120.500 0.017 0.000 2.362 3 R HA 0.449 4.795 4.340 0.008 0.000 0.227 3 R C 0.768 177.080 176.300 0.020 0.000 0.905 3 R CA 0.420 56.530 56.100 0.016 0.000 1.067 3 R CB 0.246 30.554 30.300 0.013 0.000 1.078 3 R HN 0.635 nan 8.270 nan 0.000 0.516 4 E N 0.180 120.395 120.200 0.025 0.000 2.312 4 E HA 0.024 4.379 4.350 0.008 0.000 0.259 4 E C -0.715 175.909 176.600 0.039 0.000 1.122 4 E CA -0.617 55.801 56.400 0.031 0.000 0.922 4 E CB 0.533 30.254 29.700 0.035 0.000 1.109 4 E HN -0.011 nan 8.360 nan 0.000 0.442 5 D N 2.077 122.507 120.400 0.050 0.000 2.451 5 D HA -0.033 4.612 4.640 0.008 0.000 0.254 5 D C -1.509 174.828 176.300 0.062 0.000 1.204 5 D CA -1.360 52.683 54.000 0.071 0.000 0.896 5 D CB 0.813 41.677 40.800 0.107 0.000 1.136 5 D HN 0.144 nan 8.370 nan 0.000 0.499 6 P HA -0.111 nan 4.420 nan 0.000 0.228 6 P C 0.836 178.147 177.300 0.017 0.000 1.151 6 P CA 0.636 63.753 63.100 0.027 0.000 0.770 6 P CB 0.480 32.186 31.700 0.011 0.000 0.786 7 Q N -0.783 119.019 119.800 0.003 0.000 2.403 7 Q HA 0.177 4.522 4.340 0.008 0.000 0.203 7 Q C 1.516 177.572 176.000 0.094 0.000 0.932 7 Q CA 0.396 56.170 55.803 -0.048 0.000 0.945 7 Q CB 0.190 28.734 28.738 -0.323 0.000 1.045 7 Q HN 0.407 nan 8.270 nan 0.000 0.511 8 L N -0.069 121.240 121.223 0.143 0.000 2.808 8 L HA 0.257 4.602 4.340 0.008 0.000 0.246 8 L C -0.010 177.055 176.870 0.324 0.000 1.153 8 L CA 0.062 55.036 54.840 0.223 0.000 0.956 8 L CB 0.592 42.698 42.059 0.077 0.000 1.270 8 L HN -0.053 nan 8.230 nan 0.000 0.528 9 L N 1.087 122.435 121.223 0.208 0.000 2.283 9 L HA 0.463 4.808 4.340 0.008 0.000 0.281 9 L C -0.724 176.181 176.870 0.059 0.000 1.033 9 L CA -0.410 54.522 54.840 0.153 0.000 0.848 9 L CB 1.442 43.553 42.059 0.087 0.000 1.226 9 L HN -0.196 nan 8.230 nan 0.000 0.429 10 V N 2.925 122.841 119.914 0.005 0.000 2.715 10 V HA 0.500 4.625 4.120 0.008 0.000 0.310 10 V C -0.058 175.941 176.094 -0.159 0.000 1.054 10 V CA -0.785 61.365 62.300 -0.251 0.000 0.928 10 V CB 2.481 33.844 31.823 -0.766 0.000 1.007 10 V HN 0.683 nan 8.190 nan 0.000 0.437 11 R N 2.392 122.778 120.500 -0.190 0.000 2.407 11 R HA 0.795 5.140 4.340 0.008 0.000 0.303 11 R C -0.841 175.359 176.300 -0.166 0.000 0.981 11 R CA -0.338 55.690 56.100 -0.121 0.000 0.905 11 R CB 1.758 31.991 30.300 -0.111 0.000 1.099 11 R HN 0.721 nan 8.270 nan 0.000 0.459 12 V N 1.667 121.539 119.914 -0.071 0.000 3.155 12 V HA 0.504 4.629 4.120 0.008 0.000 0.313 12 V C 0.996 177.015 176.094 -0.125 0.000 1.162 12 V CA -1.015 61.242 62.300 -0.072 0.000 1.048 12 V CB 1.692 33.607 31.823 0.154 0.000 1.092 12 V HN 0.867 nan 8.190 nan 0.000 0.447 13 R N 1.502 121.918 120.500 -0.140 0.000 2.117 13 R HA -0.023 4.322 4.340 0.008 0.000 0.243 13 R C 1.775 177.959 176.300 -0.194 0.000 1.143 13 R CA 2.581 58.594 56.100 -0.145 0.000 0.968 13 R CB -1.174 29.053 30.300 -0.121 0.000 0.863 13 R HN 1.055 nan 8.270 nan 0.000 0.444 14 G N -1.973 106.686 108.800 -0.236 0.000 2.623 14 G HA2 0.368 4.333 3.960 0.008 0.000 0.214 14 G HA3 0.368 4.333 3.960 0.008 0.000 0.214 14 G C 0.434 174.492 174.900 -1.404 0.000 1.138 14 G CA 0.401 45.143 45.100 -0.598 0.000 0.794 14 G HN 0.748 nan 8.290 nan 0.000 0.535 15 G N -1.240 106.912 108.800 -1.079 0.000 2.332 15 G HA2 0.210 4.175 3.960 0.008 0.000 0.265 15 G HA3 0.210 4.175 3.960 0.008 0.000 0.265 15 G C -1.469 173.299 174.900 -0.220 0.000 1.329 15 G CA -0.872 43.635 45.100 -0.988 0.000 0.949 15 G HN 0.238 nan 8.290 nan 0.000 0.476 16 Q N -0.296 119.575 119.800 0.118 0.000 2.241 16 Q HA 0.695 5.040 4.340 0.008 0.000 0.254 16 Q C -0.704 175.591 176.000 0.492 0.000 0.917 16 Q CA -0.371 55.599 55.803 0.278 0.000 0.919 16 Q CB 1.804 30.643 28.738 0.169 0.000 1.237 16 Q HN 0.427 nan 8.270 nan 0.000 0.434 17 L N 2.119 123.552 121.223 0.350 0.000 2.365 17 L HA 0.582 4.927 4.340 0.008 0.000 0.273 17 L C -0.363 176.706 176.870 0.331 0.000 1.000 17 L CA -0.684 54.376 54.840 0.367 0.000 0.819 17 L CB 1.989 44.304 42.059 0.427 0.000 1.284 17 L HN 0.391 nan 8.230 nan 0.000 0.418 18 R N 1.108 121.769 120.500 0.269 0.000 2.295 18 R HA 0.616 4.961 4.340 0.008 0.000 0.324 18 R C -0.115 176.278 176.300 0.154 0.000 0.968 18 R CA -0.279 55.949 56.100 0.213 0.000 0.837 18 R CB 1.670 32.033 30.300 0.104 0.000 1.133 18 R HN 0.851 nan 8.270 nan 0.000 0.450 19 G N 3.089 111.902 108.800 0.023 0.000 2.583 19 G HA2 0.490 4.455 3.960 0.008 0.000 0.280 19 G HA3 0.490 4.455 3.960 0.008 0.000 0.280 19 G C -1.003 173.664 174.900 -0.389 0.000 1.376 19 G CA -0.630 44.119 45.100 -0.585 0.000 1.043 19 G HN 0.575 nan 8.290 nan 0.000 0.538 20 I N -0.655 119.635 120.570 -0.467 0.000 2.533 20 I HA 0.456 4.631 4.170 0.008 0.000 0.290 20 I C -0.088 175.904 176.117 -0.209 0.000 1.056 20 I CA -1.074 60.069 61.300 -0.262 0.000 1.057 20 I CB 1.985 39.843 38.000 -0.236 0.000 1.240 20 I HN 0.415 nan 8.210 nan 0.000 0.423 21 R N 8.335 128.766 120.500 -0.115 0.000 2.272 21 R HA 0.415 4.760 4.340 0.008 0.000 0.334 21 R C -1.491 174.719 176.300 -0.150 0.000 1.117 21 R CA -0.314 55.719 56.100 -0.112 0.000 0.966 21 R CB 0.177 30.394 30.300 -0.139 0.000 1.049 21 R HN 0.667 nan 8.270 nan 0.000 0.477 22 L N 3.029 124.181 121.223 -0.119 0.000 2.416 22 L HA 0.397 4.742 4.340 0.008 0.000 0.262 22 L C 0.435 177.237 176.870 -0.113 0.000 1.093 22 L CA -0.788 53.995 54.840 -0.096 0.000 0.801 22 L CB 1.222 43.259 42.059 -0.036 0.000 1.191 22 L HN 0.352 nan 8.230 nan 0.000 0.459 23 K N 1.671 122.010 120.400 -0.102 0.000 2.293 23 K HA 0.611 4.936 4.320 0.008 0.000 0.267 23 K C -0.853 175.687 176.600 -0.101 0.000 1.010 23 K CA -0.224 56.003 56.287 -0.100 0.000 0.875 23 K CB 1.616 34.068 32.500 -0.079 0.000 1.106 23 K HN 0.697 nan 8.250 nan 0.000 0.450 24 A N 5.102 127.864 122.820 -0.097 0.000 2.288 24 A HA 0.593 4.918 4.320 0.008 0.000 0.328 24 A C -1.850 175.733 177.584 -0.001 0.000 1.123 24 A CA -1.488 50.493 52.037 -0.094 0.000 0.861 24 A CB 0.504 19.420 19.000 -0.140 0.000 1.272 24 A HN 0.416 nan 8.150 nan 0.000 0.490 25 P HA -0.173 nan 4.420 nan 0.000 0.216 25 P C 1.430 178.759 177.300 0.048 0.000 1.167 25 P CA 2.427 65.577 63.100 0.083 0.000 0.914 25 P CB 0.070 31.854 31.700 0.139 0.000 0.793 26 G N -2.342 106.489 108.800 0.052 0.000 2.920 26 G HA2 0.384 4.349 3.960 0.008 0.000 0.208 26 G HA3 0.384 4.349 3.960 0.008 0.000 0.208 26 G C 0.607 175.520 174.900 0.022 0.000 1.159 26 G CA 0.594 45.716 45.100 0.036 0.000 0.784 26 G HN 0.676 nan 8.290 nan 0.000 0.535 27 G N -0.649 108.155 108.800 0.006 0.000 2.340 27 G HA2 0.297 4.262 3.960 0.008 0.000 0.282 27 G HA3 0.297 4.262 3.960 0.008 0.000 0.282 27 G C -3.379 171.494 174.900 -0.045 0.000 1.312 27 G CA -0.500 44.591 45.100 -0.014 0.000 0.942 27 G HN 0.105 nan 8.290 nan 0.000 0.495 28 P HA 0.604 nan 4.420 nan 0.000 0.282 28 P C -0.213 177.056 177.300 -0.052 0.000 1.259 28 P CA -0.433 62.563 63.100 -0.174 0.000 0.826 28 P CB 1.762 33.182 31.700 -0.467 0.000 1.064 29 V N -2.067 117.832 119.914 -0.024 0.000 3.040 29 V HA 0.618 4.743 4.120 0.008 0.000 0.312 29 V C -0.161 176.047 176.094 0.189 0.000 1.115 29 V CA -0.911 61.474 62.300 0.142 0.000 0.998 29 V CB 1.665 33.577 31.823 0.149 0.000 1.042 29 V HN 0.413 nan 8.190 nan 0.000 0.433 30 S N 1.775 117.650 115.700 0.293 0.000 2.475 30 S HA 0.793 5.268 4.470 0.008 0.000 0.281 30 S C 0.090 174.711 174.600 0.036 0.000 1.198 30 S CA 0.082 58.400 58.200 0.197 0.000 1.063 30 S CB 1.007 64.411 63.200 0.339 0.000 0.972 30 S HN 1.492 nan 8.310 nan 0.000 0.486 31 A N 3.380 126.030 122.820 -0.284 0.000 2.330 31 A HA 0.777 5.102 4.320 0.008 0.000 0.313 31 A C -1.166 175.987 177.584 -0.718 0.000 1.124 31 A CA -0.578 51.169 52.037 -0.483 0.000 0.774 31 A CB 0.387 19.090 19.000 -0.494 0.000 1.198 31 A HN 0.692 nan 8.150 nan 0.000 0.465 32 F N 2.976 122.749 119.950 -0.295 0.000 2.366 32 F HA 0.470 5.002 4.527 0.008 0.000 0.366 32 F C -0.156 175.457 175.800 -0.311 0.000 1.096 32 F CA -0.313 57.587 58.000 -0.165 0.000 1.060 32 F CB 1.245 40.291 39.000 0.078 0.000 1.282 32 F HN 0.352 nan 8.300 nan 0.000 0.450 33 L N 2.196 123.267 121.223 -0.254 0.000 2.325 33 L HA 0.698 5.043 4.340 0.008 0.000 0.278 33 L C 0.908 177.684 176.870 -0.158 0.000 1.023 33 L CA -1.057 53.584 54.840 -0.332 0.000 0.811 33 L CB 1.634 43.292 42.059 -0.670 0.000 1.249 33 L HN 0.809 nan 8.230 nan 0.000 0.431 34 G N 3.141 111.909 108.800 -0.052 0.000 2.314 34 G HA2 -0.259 3.706 3.960 0.008 0.000 0.292 34 G HA3 -0.259 3.706 3.960 0.008 0.000 0.292 34 G C -0.181 174.764 174.900 0.075 0.000 1.059 34 G CA -0.288 44.802 45.100 -0.017 0.000 0.982 34 G HN 0.483 nan 8.290 nan 0.000 0.505 35 I N 2.124 122.740 120.570 0.077 0.000 2.396 35 I HA 0.238 4.413 4.170 0.008 0.000 0.289 35 I C -1.389 174.764 176.117 0.060 0.000 1.056 35 I CA -2.144 59.174 61.300 0.030 0.000 1.365 35 I CB 1.109 39.067 38.000 -0.070 0.000 1.407 35 I HN 0.011 nan 8.210 nan 0.000 0.509 36 P HA 0.071 nan 4.420 nan 0.000 0.280 36 P C -0.276 176.953 177.300 -0.119 0.000 1.244 36 P CA -0.021 62.916 63.100 -0.271 0.000 0.784 36 P CB 0.598 32.106 31.700 -0.320 0.000 0.913 37 F N 0.615 120.421 119.950 -0.240 0.000 2.706 37 F HA 0.727 5.260 4.527 0.009 0.000 0.313 37 F C 0.080 175.878 175.800 -0.003 0.000 1.096 37 F CA -0.731 57.199 58.000 -0.117 0.000 1.219 37 F CB 0.200 39.054 39.000 -0.244 0.000 1.051 37 F HN 0.319 nan 8.300 nan 0.000 0.568 38 A N 0.261 122.782 122.820 -0.497 0.000 2.572 38 A HA 0.553 4.878 4.320 0.008 0.000 0.295 38 A C -0.808 176.597 177.584 -0.299 0.000 1.072 38 A CA -0.731 51.100 52.037 -0.344 0.000 0.691 38 A CB 1.071 19.768 19.000 -0.504 0.000 1.291 38 A HN 0.065 nan 8.150 nan 0.000 0.404 39 E N 1.506 121.618 120.200 -0.146 0.000 2.414 39 E HA 0.186 4.541 4.350 0.008 0.000 0.263 39 E C -2.284 174.214 176.600 -0.170 0.000 1.000 39 E CA -1.149 55.181 56.400 -0.117 0.000 0.914 39 E CB 0.111 29.783 29.700 -0.047 0.000 0.948 39 E HN 0.249 nan 8.360 nan 0.000 0.444 40 P HA 0.000 nan 4.420 nan 0.000 0.260 40 P C -2.174 175.055 177.300 -0.118 0.000 1.185 40 P CA -0.811 62.191 63.100 -0.164 0.000 0.763 40 P CB -0.042 31.600 31.700 -0.096 0.000 0.776 41 P HA -0.026 nan 4.420 nan 0.000 0.249 41 P C 0.130 177.376 177.300 -0.091 0.000 1.686 41 P CA 0.179 63.223 63.100 -0.092 0.000 0.873 41 P CB -0.240 31.409 31.700 -0.085 0.000 1.828 42 V N -3.150 116.716 119.914 -0.080 0.000 3.463 42 V HA 0.832 4.957 4.120 0.008 0.000 0.302 42 V C 1.253 177.306 176.094 -0.068 0.000 1.097 42 V CA 0.294 62.547 62.300 -0.078 0.000 1.003 42 V CB 0.314 32.100 31.823 -0.062 0.000 1.229 42 V HN 0.478 nan 8.190 nan 0.000 0.444 43 G N 1.627 110.389 108.800 -0.063 0.000 2.665 43 G HA2 -0.373 3.592 3.960 0.008 0.000 0.326 43 G HA3 -0.373 3.592 3.960 0.008 0.000 0.326 43 G C 1.152 176.024 174.900 -0.046 0.000 1.231 43 G CA 1.915 46.988 45.100 -0.045 0.000 0.992 43 G HN 2.285 nan 8.290 nan 0.000 0.549 44 S N 0.497 116.182 115.700 -0.025 0.000 2.607 44 S HA 0.159 4.634 4.470 0.008 0.000 0.224 44 S C 1.780 176.374 174.600 -0.010 0.000 0.969 44 S CA 1.207 59.402 58.200 -0.008 0.000 0.927 44 S CB 0.139 63.342 63.200 0.004 0.000 0.772 44 S HN 0.645 nan 8.310 nan 0.000 0.533 45 R N 1.018 121.498 120.500 -0.034 0.000 2.317 45 R HA 0.219 4.564 4.340 0.008 0.000 0.208 45 R C 0.807 177.067 176.300 -0.067 0.000 0.914 45 R CA -0.230 55.850 56.100 -0.032 0.000 1.060 45 R CB 0.025 30.305 30.300 -0.033 0.000 1.015 45 R HN 0.381 nan 8.270 nan 0.000 0.498 46 R N 0.973 121.387 120.500 -0.143 0.000 2.538 46 R HA -0.136 4.209 4.340 0.008 0.000 0.282 46 R C -0.387 175.706 176.300 -0.344 0.000 1.009 46 R CA 0.692 56.579 56.100 -0.356 0.000 1.063 46 R CB 0.088 30.061 30.300 -0.545 0.000 0.945 46 R HN 0.102 nan 8.270 nan 0.000 0.414 47 F N -0.621 119.330 119.950 0.002 0.000 2.502 47 F HA -0.303 4.229 4.527 0.008 0.000 0.480 47 F C 0.132 175.913 175.800 -0.033 0.000 0.543 47 F CA 0.653 58.629 58.000 -0.040 0.000 1.350 47 F CB -1.605 37.359 39.000 -0.060 0.000 1.999 47 F HN 0.463 nan 8.300 nan 0.000 0.267 48 M N 1.455 121.120 119.600 0.108 0.000 2.342 48 M HA 0.406 4.891 4.480 0.008 0.000 0.332 48 M C -1.962 174.363 176.300 0.043 0.000 1.166 48 M CA -1.444 53.898 55.300 0.070 0.000 1.086 48 M CB 0.468 33.098 32.600 0.051 0.000 1.541 48 M HN -0.362 nan 8.290 nan 0.000 0.462 49 P HA 0.007 nan 4.420 nan 0.000 0.267 49 P C -2.415 174.912 177.300 0.045 0.000 1.195 49 P CA -0.301 62.831 63.100 0.053 0.000 0.773 49 P CB -0.456 31.282 31.700 0.065 0.000 0.837 50 P HA 0.206 nan 4.420 nan 0.000 0.278 50 P C -0.693 176.640 177.300 0.055 0.000 1.238 50 P CA -0.007 63.119 63.100 0.043 0.000 0.794 50 P CB 0.932 32.679 31.700 0.077 0.000 0.955 51 E N 3.021 123.239 120.200 0.029 0.000 2.191 51 E HA 0.361 4.716 4.350 0.008 0.000 0.278 51 E C -2.246 174.384 176.600 0.049 0.000 0.972 51 E CA -2.283 54.143 56.400 0.042 0.000 0.804 51 E CB 0.596 30.312 29.700 0.026 0.000 1.110 51 E HN 0.341 nan 8.360 nan 0.000 0.394 52 P HA -0.097 nan 4.420 nan 0.000 0.266 52 P C -0.784 176.579 177.300 0.105 0.000 1.193 52 P CA -0.030 63.145 63.100 0.125 0.000 0.770 52 P CB 0.421 32.200 31.700 0.132 0.000 0.836 53 K N 3.458 123.944 120.400 0.142 0.000 2.447 53 K HA 0.014 4.339 4.320 0.008 0.000 0.281 53 K C -0.030 176.672 176.600 0.170 0.000 1.031 53 K CA 0.493 56.864 56.287 0.140 0.000 1.019 53 K CB 0.016 32.647 32.500 0.219 0.000 0.918 53 K HN 0.240 nan 8.250 nan 0.000 0.476 54 R N 5.330 125.912 120.500 0.135 0.000 2.389 54 R HA 0.182 4.527 4.340 0.008 0.000 0.295 54 R C -2.020 174.378 176.300 0.163 0.000 1.075 54 R CA -1.676 54.494 56.100 0.117 0.000 1.005 54 R CB 0.413 30.762 30.300 0.082 0.000 0.987 54 R HN 0.573 nan 8.270 nan 0.000 0.452 55 P HA -0.119 nan 4.420 nan 0.000 0.264 55 P C -1.137 176.198 177.300 0.059 0.000 1.179 55 P CA 0.281 63.342 63.100 -0.065 0.000 0.763 55 P CB 0.283 31.899 31.700 -0.139 0.000 0.806 56 W N 1.476 122.809 121.300 0.056 0.000 2.630 56 W HA 0.732 5.397 4.660 0.008 0.000 0.365 56 W C -0.693 175.852 176.519 0.043 0.000 1.270 56 W CA -0.887 56.488 57.345 0.049 0.000 1.291 56 W CB 0.035 29.532 29.460 0.061 0.000 1.440 56 W HN 0.397 nan 8.180 nan 0.000 0.652 57 S N 0.581 116.471 115.700 0.317 0.000 2.542 57 S HA 0.847 5.322 4.470 0.008 0.000 0.293 57 S C 0.119 174.870 174.600 0.252 0.000 1.089 57 S CA -0.139 58.167 58.200 0.176 0.000 0.961 57 S CB 1.095 64.350 63.200 0.093 0.000 1.062 57 S HN 2.256 nan 8.310 nan 0.000 0.483 58 G N 0.458 109.360 108.800 0.170 0.000 2.642 58 G HA2 -0.108 3.857 3.960 0.008 0.000 0.231 58 G HA3 -0.108 3.857 3.960 0.008 0.000 0.231 58 G C -0.790 174.261 174.900 0.252 0.000 1.338 58 G CA -0.376 44.823 45.100 0.164 0.000 0.883 58 G HN 1.765 nan 8.290 nan 0.000 0.570 59 V N 0.765 120.800 119.914 0.201 0.000 2.347 59 V HA 0.574 4.699 4.120 0.008 0.000 0.280 59 V C 0.853 177.057 176.094 0.184 0.000 1.021 59 V CA -0.354 62.080 62.300 0.223 0.000 0.847 59 V CB 1.205 33.115 31.823 0.145 0.000 0.990 59 V HN 0.836 nan 8.190 nan 0.000 0.444 60 L N 4.338 125.691 121.223 0.217 0.000 2.367 60 L HA 0.324 4.669 4.340 0.008 0.000 0.275 60 L C 0.630 177.503 176.870 0.005 0.000 1.129 60 L CA 0.064 54.874 54.840 -0.049 0.000 0.839 60 L CB 0.722 42.493 42.059 -0.480 0.000 1.133 60 L HN 0.770 nan 8.230 nan 0.000 0.453 61 D N 5.019 125.393 120.400 -0.044 0.000 2.336 61 D HA 0.161 4.806 4.640 0.008 0.000 0.249 61 D C -0.458 175.806 176.300 -0.061 0.000 1.213 61 D CA -0.088 53.891 54.000 -0.035 0.000 0.870 61 D CB 1.431 42.198 40.800 -0.054 0.000 1.076 61 D HN 0.661 nan 8.370 nan 0.000 0.483 62 A N 3.328 126.137 122.820 -0.019 0.000 3.154 62 A HA 0.213 4.538 4.320 0.008 0.000 0.310 62 A C 0.976 178.479 177.584 -0.135 0.000 1.093 62 A CA -0.466 51.552 52.037 -0.032 0.000 1.006 62 A CB -0.104 18.979 19.000 0.138 0.000 1.084 62 A HN 0.580 nan 8.150 nan 0.000 0.549 63 T N -3.270 111.183 114.554 -0.168 0.000 3.023 63 T HA 0.272 4.627 4.350 0.008 0.000 0.253 63 T C 0.687 175.226 174.700 -0.269 0.000 1.038 63 T CA 0.751 62.720 62.100 -0.218 0.000 0.962 63 T CB -0.158 68.617 68.868 -0.156 0.000 1.018 63 T HN 0.760 nan 8.240 nan 0.000 0.521 64 T N -0.502 113.891 114.554 -0.269 0.000 2.900 64 T HA 0.682 5.037 4.350 0.008 0.000 0.303 64 T C -0.853 173.675 174.700 -0.286 0.000 1.142 64 T CA -0.907 61.020 62.100 -0.289 0.000 1.007 64 T CB 1.026 69.796 68.868 -0.164 0.000 1.156 64 T HN -0.016 nan 8.240 nan 0.000 0.490 65 F N 2.285 122.164 119.950 -0.117 0.000 2.563 65 F HA 0.287 4.819 4.527 0.008 0.000 0.363 65 F C 1.549 177.245 175.800 -0.174 0.000 1.123 65 F CA -0.068 57.862 58.000 -0.116 0.000 1.307 65 F CB 0.381 39.343 39.000 -0.063 0.000 1.115 65 F HN 0.510 nan 8.300 nan 0.000 0.592 66 Q N 1.382 121.175 119.800 -0.011 0.000 2.177 66 Q HA 0.207 4.553 4.340 0.008 0.000 0.183 66 Q C -0.095 175.814 176.000 -0.153 0.000 1.040 66 Q CA -0.729 54.909 55.803 -0.276 0.000 1.089 66 Q CB 0.443 28.687 28.738 -0.825 0.000 1.130 66 Q HN 0.507 nan 8.270 nan 0.000 0.575 67 N N -0.177 118.400 118.700 -0.205 0.000 2.374 67 N HA 0.029 4.774 4.740 0.008 0.000 0.241 67 N C -0.546 174.947 175.510 -0.029 0.000 1.262 67 N CA 0.124 53.121 53.050 -0.087 0.000 0.880 67 N CB 0.354 38.811 38.487 -0.050 0.000 1.105 67 N HN 0.157 nan 8.380 nan 0.000 0.438 68 V N 1.321 121.197 119.914 -0.063 0.000 2.567 68 V HA 0.132 4.257 4.120 0.008 0.000 0.289 68 V C 0.568 176.619 176.094 -0.072 0.000 1.049 68 V CA -0.877 61.377 62.300 -0.077 0.000 0.969 68 V CB 1.240 32.981 31.823 -0.137 0.000 0.995 68 V HN 0.694 nan 8.190 nan 0.000 0.471 69 c N 3.986 122.558 118.600 -0.046 0.000 2.653 69 c HA 0.142 4.717 4.570 0.008 0.000 0.421 69 c C 0.487 174.525 174.090 -0.086 0.000 1.334 69 c CA -0.587 55.715 56.329 -0.045 0.000 1.885 69 c CB -1.136 41.376 42.510 0.003 0.000 2.645 69 c HN 0.759 nan 8.230 nan 0.000 0.601 70 Y N 4.031 124.172 120.300 -0.265 0.000 2.805 70 Y HA 0.173 4.728 4.550 0.008 0.000 0.331 70 Y C 0.861 176.708 175.900 -0.089 0.000 1.241 70 Y CA 1.094 59.021 58.100 -0.289 0.000 1.546 70 Y CB 0.155 38.239 38.460 -0.627 0.000 1.248 70 Y HN 0.744 nan 8.280 nan 0.000 0.559 71 Q N 4.196 124.017 119.800 0.035 0.000 2.522 71 Q HA 0.211 4.556 4.340 0.008 0.000 0.285 71 Q C -1.817 174.355 176.000 0.285 0.000 0.982 71 Q CA -1.246 54.715 55.803 0.263 0.000 0.805 71 Q CB 1.152 30.001 28.738 0.186 0.000 1.457 71 Q HN 0.649 nan 8.270 nan 0.000 0.394 72 Y N 1.512 122.016 120.300 0.340 0.000 2.632 72 Y HA 0.280 4.835 4.550 0.008 0.000 0.329 72 Y C -0.884 175.167 175.900 0.251 0.000 1.174 72 Y CA 0.208 58.509 58.100 0.336 0.000 1.469 72 Y CB 0.748 39.517 38.460 0.514 0.000 1.242 72 Y HN 0.427 nan 8.280 nan 0.000 0.540 73 V N 7.182 126.847 119.914 -0.415 0.000 2.364 73 V HA 0.084 4.209 4.120 0.008 0.000 0.272 73 V C -0.194 175.618 176.094 -0.470 0.000 1.036 73 V CA -0.933 61.187 62.300 -0.300 0.000 0.880 73 V CB 0.972 32.675 31.823 -0.199 0.000 0.991 73 V HN 0.790 nan 8.190 nan 0.000 0.460 74 D N 3.970 124.324 120.400 -0.077 0.000 2.425 74 D HA 0.158 4.803 4.640 0.008 0.000 0.247 74 D C 0.948 177.298 176.300 0.084 0.000 1.147 74 D CA 0.378 54.451 54.000 0.122 0.000 0.879 74 D CB 1.232 42.249 40.800 0.362 0.000 1.179 74 D HN 0.713 nan 8.370 nan 0.000 0.456 75 T N 1.573 116.172 114.554 0.074 0.000 3.337 75 T HA 0.068 4.423 4.350 0.008 0.000 0.299 75 T C 1.481 176.197 174.700 0.027 0.000 0.998 75 T CA -0.500 61.628 62.100 0.046 0.000 0.948 75 T CB -0.173 68.689 68.868 -0.010 0.000 1.170 75 T HN 0.257 nan 8.240 nan 0.000 0.508 76 L N 0.933 122.174 121.223 0.030 0.000 2.021 76 L HA 0.025 4.370 4.340 0.008 0.000 0.215 76 L C -0.143 176.462 176.870 -0.443 0.000 1.074 76 L CA 1.816 56.499 54.840 -0.262 0.000 0.760 76 L CB -0.396 41.421 42.059 -0.403 0.000 0.889 76 L HN 0.482 nan 8.230 nan 0.000 0.433 77 Y N -0.947 119.413 120.300 0.101 0.000 2.787 77 Y HA 0.402 4.957 4.550 0.008 0.000 0.352 77 Y C -2.170 173.788 175.900 0.096 0.000 1.027 77 Y CA -3.505 54.620 58.100 0.041 0.000 1.219 77 Y CB -0.131 38.292 38.460 -0.062 0.000 1.110 77 Y HN 0.024 nan 8.280 nan 0.000 0.614 78 P HA 0.056 nan 4.420 nan 0.000 0.260 78 P C 1.066 178.432 177.300 0.111 0.000 1.172 78 P CA 1.890 65.052 63.100 0.104 0.000 0.760 78 P CB 0.687 32.420 31.700 0.055 0.000 0.773 79 G N 2.745 111.597 108.800 0.087 0.000 2.253 79 G HA2 -0.294 3.671 3.960 0.008 0.000 0.251 79 G HA3 -0.294 3.671 3.960 0.008 0.000 0.251 79 G C 0.056 175.008 174.900 0.086 0.000 0.998 79 G CA -0.408 44.727 45.100 0.057 0.000 0.621 79 G HN 0.535 nan 8.290 nan 0.000 0.524 80 F N 2.654 122.568 119.950 -0.060 0.000 2.506 80 F HA 0.560 5.091 4.527 0.008 0.000 0.371 80 F C 1.440 177.149 175.800 -0.152 0.000 1.078 80 F CA -0.350 57.565 58.000 -0.143 0.000 1.195 80 F CB 1.272 40.170 39.000 -0.171 0.000 1.099 80 F HN 0.251 nan 8.300 nan 0.000 0.548 81 E N 4.196 124.013 120.200 -0.639 0.000 2.097 81 E HA -0.122 4.233 4.350 0.008 0.000 0.196 81 E C 2.234 178.355 176.600 -0.799 0.000 1.000 81 E CA 2.018 58.046 56.400 -0.621 0.000 0.804 81 E CB -0.546 28.854 29.700 -0.500 0.000 0.740 81 E HN 0.899 nan 8.360 nan 0.000 0.454 82 G N -0.591 107.217 108.800 -1.654 0.000 2.476 82 G HA2 -0.358 3.607 3.960 0.008 0.000 0.218 82 G HA3 -0.358 3.607 3.960 0.008 0.000 0.218 82 G C 1.775 176.684 174.900 0.015 0.000 1.164 82 G CA 1.925 46.369 45.100 -1.093 0.000 0.768 82 G HN 0.505 nan 8.290 nan 0.000 0.560 83 T N -1.675 112.921 114.554 0.070 0.000 2.942 83 T HA 0.119 4.474 4.350 0.008 0.000 0.265 83 T C 2.004 176.898 174.700 0.324 0.000 1.062 83 T CA 1.412 63.852 62.100 0.566 0.000 1.139 83 T CB 0.020 69.274 68.868 0.643 0.000 0.883 83 T HN 0.401 nan 8.240 nan 0.000 0.468 84 E N 1.228 121.451 120.200 0.039 0.000 2.230 84 E HA 0.054 4.409 4.350 0.008 0.000 0.192 84 E C 2.267 178.770 176.600 -0.162 0.000 0.987 84 E CA 0.753 57.133 56.400 -0.034 0.000 0.841 84 E CB -0.262 29.398 29.700 -0.067 0.000 0.783 84 E HN 0.717 nan 8.360 nan 0.000 0.481 85 M N -0.979 118.418 119.600 -0.339 0.000 2.337 85 M HA -0.156 4.329 4.480 0.008 0.000 0.261 85 M C 0.889 176.791 176.300 -0.664 0.000 1.067 85 M CA 1.571 56.513 55.300 -0.596 0.000 1.074 85 M CB -0.493 31.607 32.600 -0.833 0.000 1.395 85 M HN 0.076 nan 8.290 nan 0.000 0.431 86 W N 1.074 122.311 121.300 -0.107 0.000 3.197 86 W HA 0.278 4.942 4.660 0.008 0.000 0.274 86 W C 0.289 176.736 176.519 -0.121 0.000 1.297 86 W CA -0.961 56.304 57.345 -0.133 0.000 1.662 86 W CB -0.199 29.225 29.460 -0.060 0.000 1.106 86 W HN 0.127 nan 8.180 nan 0.000 0.663 87 N N 1.442 120.171 118.700 0.048 0.000 2.530 87 N HA 0.174 4.919 4.740 0.008 0.000 0.277 87 N C -2.373 173.089 175.510 -0.081 0.000 1.168 87 N CA -1.721 51.332 53.050 0.006 0.000 0.979 87 N CB 0.121 38.612 38.487 0.007 0.000 1.141 87 N HN -0.344 nan 8.380 nan 0.000 0.459 88 P HA 0.010 nan 4.420 nan 0.000 0.264 88 P C 0.246 177.463 177.300 -0.138 0.000 1.179 88 P CA 0.247 63.265 63.100 -0.137 0.000 0.763 88 P CB 0.379 31.994 31.700 -0.141 0.000 0.806 89 N N 1.531 120.138 118.700 -0.155 0.000 2.194 89 N HA 0.094 4.840 4.740 0.008 0.000 0.231 89 N C 0.082 175.528 175.510 -0.106 0.000 1.247 89 N CA -0.020 52.948 53.050 -0.136 0.000 0.884 89 N CB 0.588 38.976 38.487 -0.165 0.000 1.146 89 N HN 0.153 nan 8.380 nan 0.000 0.516 90 R N 0.166 120.601 120.500 -0.109 0.000 2.831 90 R HA 0.287 4.633 4.340 0.008 0.000 0.266 90 R C -0.649 175.591 176.300 -0.099 0.000 1.051 90 R CA -0.655 55.395 56.100 -0.084 0.000 0.943 90 R CB 1.220 31.482 30.300 -0.064 0.000 1.228 90 R HN 0.242 nan 8.270 nan 0.000 0.467 91 E N 1.188 121.336 120.200 -0.088 0.000 2.481 91 E HA -0.031 4.324 4.350 0.008 0.000 0.263 91 E C -0.541 175.986 176.600 -0.121 0.000 0.992 91 E CA 0.128 56.472 56.400 -0.093 0.000 0.938 91 E CB 0.534 30.193 29.700 -0.070 0.000 0.933 91 E HN 0.252 nan 8.360 nan 0.000 0.453 92 L N 3.646 124.766 121.223 -0.173 0.000 2.278 92 L HA 0.232 4.577 4.340 0.008 0.000 0.287 92 L C 0.168 176.963 176.870 -0.125 0.000 1.072 92 L CA -0.052 54.618 54.840 -0.283 0.000 0.819 92 L CB 1.169 42.849 42.059 -0.631 0.000 1.176 92 L HN 0.352 nan 8.230 nan 0.000 0.435 93 S N 1.383 117.068 115.700 -0.025 0.000 2.588 93 S HA 0.303 4.778 4.470 0.008 0.000 0.275 93 S C 0.483 175.101 174.600 0.031 0.000 1.130 93 S CA -0.645 57.605 58.200 0.084 0.000 0.855 93 S CB 1.728 64.946 63.200 0.030 0.000 1.116 93 S HN 0.713 nan 8.310 nan 0.000 0.472 94 E N 0.689 120.868 120.200 -0.035 0.000 2.285 94 E HA -0.050 4.305 4.350 0.008 0.000 0.194 94 E C -0.380 176.173 176.600 -0.078 0.000 0.997 94 E CA 0.373 56.682 56.400 -0.152 0.000 0.845 94 E CB 0.067 29.639 29.700 -0.213 0.000 0.782 94 E HN 0.527 nan 8.360 nan 0.000 0.491 95 D N 0.718 121.106 120.400 -0.021 0.000 2.470 95 D HA -0.017 4.628 4.640 0.008 0.000 0.226 95 D C 0.164 176.554 176.300 0.151 0.000 1.196 95 D CA -0.220 53.798 54.000 0.029 0.000 0.979 95 D CB -0.126 40.706 40.800 0.055 0.000 1.059 95 D HN 0.144 nan 8.370 nan 0.000 0.515 96 c N 2.210 120.871 118.600 0.101 0.000 4.015 96 c HA 0.346 4.921 4.570 0.008 0.000 0.323 96 c C 0.825 175.017 174.090 0.170 0.000 1.724 96 c CA -0.642 55.817 56.329 0.217 0.000 1.828 96 c CB -1.176 41.388 42.510 0.089 0.000 3.083 96 c HN 0.445 nan 8.230 nan 0.000 0.640 97 L N 2.529 123.606 121.223 -0.244 0.000 2.391 97 L HA 0.341 4.686 4.340 0.008 0.000 0.249 97 L C -0.765 175.508 176.870 -0.996 0.000 1.308 97 L CA 0.527 55.003 54.840 -0.607 0.000 1.209 97 L CB -0.777 40.791 42.059 -0.819 0.000 1.401 97 L HN 0.440 nan 8.230 nan 0.000 0.416 98 Y N 1.047 121.308 120.300 -0.066 0.000 2.587 98 Y HA 0.654 5.209 4.550 0.008 0.000 0.337 98 Y C 0.145 176.274 175.900 0.382 0.000 1.065 98 Y CA -1.201 56.953 58.100 0.089 0.000 1.126 98 Y CB 1.756 40.222 38.460 0.011 0.000 1.279 98 Y HN 0.150 nan 8.280 nan 0.000 0.489 99 L N -0.629 120.807 121.223 0.356 0.000 2.277 99 L HA 0.769 5.114 4.340 0.008 0.000 0.254 99 L C -1.336 175.548 176.870 0.023 0.000 1.044 99 L CA -1.140 53.776 54.840 0.127 0.000 0.842 99 L CB 1.587 43.536 42.059 -0.184 0.000 1.422 99 L HN 0.468 nan 8.230 nan 0.000 0.422 100 N N -0.435 118.268 118.700 0.005 0.000 2.229 100 N HA 0.739 5.484 4.740 0.008 0.000 0.298 100 N C -1.625 173.791 175.510 -0.157 0.000 1.114 100 N CA -0.403 52.581 53.050 -0.110 0.000 0.776 100 N CB 2.914 41.371 38.487 -0.051 0.000 1.501 100 N HN 0.481 nan 8.380 nan 0.000 0.474 101 V N 1.519 121.258 119.914 -0.293 0.000 2.686 101 V HA 0.474 4.599 4.120 0.008 0.000 0.306 101 V C -1.080 174.918 176.094 -0.159 0.000 1.065 101 V CA -0.695 61.509 62.300 -0.161 0.000 0.894 101 V CB 2.406 33.994 31.823 -0.392 0.000 1.004 101 V HN 0.555 nan 8.190 nan 0.000 0.424 102 W N 3.204 124.584 121.300 0.133 0.000 2.656 102 W HA 0.679 5.344 4.660 0.009 0.000 0.327 102 W C 0.041 176.654 176.519 0.157 0.000 1.041 102 W CA -0.435 56.997 57.345 0.145 0.000 1.229 102 W CB 2.423 31.954 29.460 0.118 0.000 1.397 102 W HN 0.648 nan 8.180 nan 0.000 0.479 103 T N 0.373 115.171 114.554 0.406 0.000 2.896 103 T HA 0.534 4.889 4.350 0.008 0.000 0.297 103 T C -2.766 172.105 174.700 0.285 0.000 1.108 103 T CA -2.372 59.920 62.100 0.321 0.000 1.004 103 T CB 2.355 71.426 68.868 0.337 0.000 1.159 103 T HN -0.104 nan 8.240 nan 0.000 0.499 104 P HA 0.152 nan 4.420 nan 0.000 0.271 104 P C -1.498 175.953 177.300 0.252 0.000 1.228 104 P CA -0.039 63.182 63.100 0.201 0.000 0.797 104 P CB 0.100 31.888 31.700 0.146 0.000 0.914 105 Y N 0.760 121.115 120.300 0.092 0.000 2.361 105 Y HA 0.384 4.939 4.550 0.008 0.000 0.328 105 Y C -2.260 173.677 175.900 0.060 0.000 1.044 105 Y CA -2.385 55.764 58.100 0.081 0.000 1.085 105 Y CB 1.236 39.733 38.460 0.063 0.000 1.194 105 Y HN 0.324 nan 8.280 nan 0.000 0.438 106 P HA 0.151 nan 4.420 nan 0.000 0.271 106 P C -0.797 176.453 177.300 -0.082 0.000 1.233 106 P CA -0.202 62.692 63.100 -0.343 0.000 0.789 106 P CB 0.958 32.525 31.700 -0.223 0.000 0.951 107 R N 1.092 121.555 120.500 -0.062 0.000 2.697 107 R HA 0.096 4.441 4.340 0.008 0.000 0.265 107 R C -1.676 174.648 176.300 0.039 0.000 1.009 107 R CA -0.866 55.265 56.100 0.052 0.000 1.099 107 R CB -0.798 29.547 30.300 0.076 0.000 0.965 107 R HN 0.476 nan 8.270 nan 0.000 0.428 108 P HA -0.006 nan 4.420 nan 0.000 0.271 108 P C -0.184 177.135 177.300 0.031 0.000 1.216 108 P CA 0.140 63.271 63.100 0.051 0.000 0.771 108 P CB 1.106 32.845 31.700 0.065 0.000 0.864 109 A N 3.804 126.636 122.820 0.019 0.000 1.877 109 A HA -0.073 4.253 4.320 0.008 0.000 0.216 109 A C 1.128 178.717 177.584 0.008 0.000 1.186 109 A CA 1.542 53.584 52.037 0.008 0.000 0.620 109 A CB -1.130 17.873 19.000 0.005 0.000 0.822 109 A HN 0.700 nan 8.150 nan 0.000 0.443 110 S N 0.420 116.127 115.700 0.012 0.000 2.541 110 S HA 0.544 5.019 4.470 0.008 0.000 0.283 110 S C -2.813 171.798 174.600 0.018 0.000 1.196 110 S CA -1.809 56.397 58.200 0.010 0.000 1.062 110 S CB 0.841 64.045 63.200 0.007 0.000 1.009 110 S HN 0.216 nan 8.310 nan 0.000 0.502 111 P HA 0.019 nan 4.420 nan 0.000 0.261 111 P C -0.520 176.794 177.300 0.024 0.000 1.158 111 P CA 0.425 63.538 63.100 0.021 0.000 0.758 111 P CB -0.059 31.645 31.700 0.008 0.000 0.763 112 T N 4.858 119.437 114.554 0.041 0.000 2.829 112 T HA 0.422 4.777 4.350 0.008 0.000 0.280 112 T C -2.504 172.224 174.700 0.045 0.000 0.999 112 T CA -1.817 60.309 62.100 0.043 0.000 0.983 112 T CB 1.229 70.136 68.868 0.066 0.000 0.968 112 T HN 0.166 nan 8.240 nan 0.000 0.446 113 P HA 0.121 nan 4.420 nan 0.000 0.264 113 P C -0.804 176.532 177.300 0.061 0.000 1.183 113 P CA -0.188 62.928 63.100 0.027 0.000 0.763 113 P CB 0.378 32.076 31.700 -0.003 0.000 0.807 114 V N 5.079 125.045 119.914 0.087 0.000 2.472 114 V HA 0.315 4.440 4.120 0.008 0.000 0.290 114 V C 0.357 176.529 176.094 0.129 0.000 1.037 114 V CA -0.437 61.937 62.300 0.124 0.000 0.908 114 V CB 1.138 33.051 31.823 0.149 0.000 0.985 114 V HN 0.332 nan 8.190 nan 0.000 0.454 115 L N 5.597 126.909 121.223 0.149 0.000 2.313 115 L HA 0.598 4.943 4.340 0.008 0.000 0.283 115 L C -0.627 176.464 176.870 0.369 0.000 1.013 115 L CA -0.253 54.701 54.840 0.189 0.000 0.816 115 L CB 1.702 43.758 42.059 -0.006 0.000 1.236 115 L HN 0.479 nan 8.230 nan 0.000 0.419 116 I N 2.822 123.641 120.570 0.415 0.000 2.355 116 I HA 0.205 4.380 4.170 0.008 0.000 0.288 116 I C -0.571 175.829 176.117 0.472 0.000 0.999 116 I CA -0.351 61.182 61.300 0.389 0.000 1.163 116 I CB 1.177 39.286 38.000 0.181 0.000 1.316 116 I HN 0.624 nan 8.210 nan 0.000 0.454 117 W N 8.467 129.895 121.300 0.213 0.000 2.315 117 W HA 0.534 5.199 4.660 0.007 0.000 0.316 117 W C -1.415 175.002 176.519 -0.170 0.000 1.211 117 W CA -0.555 56.665 57.345 -0.208 0.000 1.201 117 W CB 1.044 30.401 29.460 -0.172 0.000 1.184 117 W HN 0.345 nan 8.180 nan 0.000 0.544 118 I N 8.997 128.927 120.570 -1.067 0.000 2.411 118 I HA 0.073 4.248 4.170 0.008 0.000 0.284 118 I C -0.335 174.989 176.117 -1.323 0.000 1.012 118 I CA -1.150 59.589 61.300 -0.936 0.000 1.119 118 I CB 0.829 38.448 38.000 -0.636 0.000 1.261 118 I HN 0.300 nan 8.210 nan 0.000 0.448 119 Y N 4.572 124.418 120.300 -0.758 0.000 2.379 119 Y HA 0.683 5.238 4.550 0.008 0.000 0.337 119 Y C 0.718 176.444 175.900 -0.290 0.000 1.238 119 Y CA -0.828 56.954 58.100 -0.531 0.000 1.405 119 Y CB 0.009 38.388 38.460 -0.136 0.000 1.310 119 Y HN 0.541 nan 8.280 nan 0.000 0.569 120 G N -0.530 108.264 108.800 -0.010 0.000 2.583 120 G HA2 0.487 4.452 3.960 0.008 0.000 0.280 120 G HA3 0.487 4.452 3.960 0.008 0.000 0.280 120 G C 0.341 175.164 174.900 -0.128 0.000 1.376 120 G CA -0.910 44.102 45.100 -0.146 0.000 1.043 120 G HN 1.732 nan 8.290 nan 0.000 0.538 121 G N -2.998 105.552 108.800 -0.416 0.000 2.215 121 G HA2 0.394 4.359 3.960 0.008 0.000 0.187 121 G HA3 0.394 4.359 3.960 0.008 0.000 0.187 121 G C 1.121 175.399 174.900 -1.037 0.000 1.039 121 G CA 0.765 45.497 45.100 -0.612 0.000 0.771 121 G HN 2.352 nan 8.290 nan 0.000 0.507 122 G N -0.620 107.576 108.800 -1.006 0.000 2.175 122 G HA2 -0.146 3.819 3.960 0.008 0.000 0.265 122 G HA3 -0.146 3.819 3.960 0.008 0.000 0.265 122 G C 0.902 175.402 174.900 -0.666 0.000 0.979 122 G CA 0.956 45.241 45.100 -1.358 0.000 0.663 122 G HN 1.786 nan 8.290 nan 0.000 0.533 123 F N -3.514 116.225 119.950 -0.352 0.000 2.699 123 F HA -0.272 4.260 4.527 0.008 0.000 0.343 123 F C 1.361 177.225 175.800 0.107 0.000 0.633 123 F CA 1.877 59.824 58.000 -0.089 0.000 1.365 123 F CB -2.091 36.721 39.000 -0.314 0.000 1.795 123 F HN 0.858 nan 8.300 nan 0.000 0.304 124 Y N -1.135 119.268 120.300 0.172 0.000 2.453 124 Y HA 0.683 5.238 4.550 0.008 0.000 0.247 124 Y C 0.651 176.690 175.900 0.233 0.000 1.124 124 Y CA 0.227 58.467 58.100 0.234 0.000 1.243 124 Y CB -0.003 38.584 38.460 0.213 0.000 1.213 124 Y HN 0.101 nan 8.280 nan 0.000 0.523 125 S N -0.790 114.757 115.700 -0.254 0.000 2.672 125 S HA 0.870 5.345 4.470 0.008 0.000 0.271 125 S C -0.183 174.289 174.600 -0.212 0.000 1.171 125 S CA -0.508 57.600 58.200 -0.154 0.000 0.817 125 S CB 1.469 64.584 63.200 -0.141 0.000 1.150 125 S HN 1.378 nan 8.310 nan 0.000 0.478 126 G N -0.693 107.940 108.800 -0.279 0.000 2.515 126 G HA2 0.539 4.504 3.960 0.008 0.000 0.686 126 G HA3 0.539 4.504 3.960 0.008 0.000 0.686 126 G C -0.641 173.588 174.900 -1.118 0.000 1.274 126 G CA -0.231 44.511 45.100 -0.596 0.000 0.874 126 G HN 2.189 nan 8.290 nan 0.000 0.631 127 A N -0.805 121.247 122.820 -1.280 0.000 2.604 127 A HA 1.013 5.338 4.320 0.008 0.000 0.295 127 A C 0.514 177.875 177.584 -0.371 0.000 1.067 127 A CA 0.500 52.050 52.037 -0.813 0.000 0.683 127 A CB 1.057 19.831 19.000 -0.377 0.000 1.281 127 A HN 2.589 nan 8.150 nan 0.000 0.407 128 A N 0.340 123.186 122.820 0.043 0.000 2.251 128 A HA 0.352 4.677 4.320 0.008 0.000 0.209 128 A C 1.419 179.041 177.584 0.064 0.000 1.187 128 A CA 1.426 53.667 52.037 0.341 0.000 0.823 128 A CB -0.535 18.743 19.000 0.463 0.000 0.846 128 A HN 1.737 nan 8.150 nan 0.000 0.486 129 S N -0.756 114.747 115.700 -0.328 0.000 2.539 129 S HA 0.367 4.842 4.470 0.008 0.000 0.221 129 S C 0.386 174.544 174.600 -0.737 0.000 0.987 129 S CA -0.474 57.062 58.200 -1.107 0.000 0.929 129 S CB -0.499 61.915 63.200 -1.310 0.000 0.832 129 S HN 0.341 nan 8.310 nan 0.000 0.492 130 L N 2.295 123.253 121.223 -0.442 0.000 2.483 130 L HA 0.132 4.477 4.340 0.008 0.000 0.276 130 L C 1.312 177.869 176.870 -0.523 0.000 1.213 130 L CA -0.343 54.191 54.840 -0.510 0.000 0.843 130 L CB 0.165 41.808 42.059 -0.693 0.000 1.107 130 L HN 0.083 nan 8.230 nan 0.000 0.487 131 D N 1.176 121.308 120.400 -0.446 0.000 2.133 131 D HA -0.157 4.488 4.640 0.008 0.000 0.195 131 D C 1.910 177.944 176.300 -0.443 0.000 0.997 131 D CA 1.486 55.281 54.000 -0.341 0.000 0.840 131 D CB -0.004 40.623 40.800 -0.289 0.000 0.947 131 D HN 0.527 nan 8.370 nan 0.000 0.452 132 V N -1.580 117.913 119.914 -0.701 0.000 3.444 132 V HA -0.106 4.019 4.120 0.008 0.000 0.271 132 V C 0.879 176.391 176.094 -0.970 0.000 1.188 132 V CA 0.909 62.758 62.300 -0.750 0.000 1.168 132 V CB -1.119 30.219 31.823 -0.807 0.000 0.810 132 V HN 0.077 nan 8.190 nan 0.000 0.500 133 Y N -0.254 119.513 120.300 -0.888 0.000 2.507 133 Y HA 0.431 4.986 4.550 0.008 0.000 0.254 133 Y C 0.930 176.315 175.900 -0.857 0.000 1.171 133 Y CA -1.882 55.365 58.100 -1.422 0.000 1.238 133 Y CB -0.544 37.416 38.460 -0.833 0.000 1.148 133 Y HN 0.251 nan 8.280 nan 0.000 0.525 134 D N 1.081 121.247 120.400 -0.389 0.000 2.455 134 D HA -0.019 4.626 4.640 0.008 0.000 0.265 134 D C 1.531 177.516 176.300 -0.526 0.000 1.284 134 D CA 0.670 54.481 54.000 -0.316 0.000 0.944 134 D CB 0.978 41.715 40.800 -0.105 0.000 1.121 134 D HN 0.484 nan 8.370 nan 0.000 0.525 135 G N 4.336 112.186 108.800 -1.583 0.000 2.559 135 G HA2 -0.265 3.701 3.960 0.008 0.000 0.216 135 G HA3 -0.265 3.701 3.960 0.008 0.000 0.216 135 G C 1.541 175.852 174.900 -0.982 0.000 1.126 135 G CA 0.684 44.993 45.100 -1.317 0.000 0.778 135 G HN 0.659 nan 8.290 nan 0.000 0.543 136 R N -0.615 119.213 120.500 -1.119 0.000 2.139 136 R HA -0.083 4.262 4.340 0.008 0.000 0.243 136 R C 1.877 177.885 176.300 -0.487 0.000 1.145 136 R CA 1.609 57.326 56.100 -0.639 0.000 0.976 136 R CB -0.748 29.211 30.300 -0.570 0.000 0.866 136 R HN 0.343 nan 8.270 nan 0.000 0.449 137 F N 1.333 121.185 119.950 -0.163 0.000 2.098 137 F HA 0.036 4.568 4.527 0.009 0.000 0.294 137 F C 2.308 178.045 175.800 -0.104 0.000 1.107 137 F CA 0.806 58.740 58.000 -0.111 0.000 1.234 137 F CB -0.658 38.272 39.000 -0.116 0.000 1.002 137 F HN -0.133 nan 8.300 nan 0.000 0.472 138 L N -0.225 121.023 121.223 0.041 0.000 2.131 138 L HA -0.189 4.156 4.340 0.008 0.000 0.210 138 L C 2.641 179.510 176.870 -0.002 0.000 1.092 138 L CA 1.019 55.839 54.840 -0.033 0.000 0.759 138 L CB -0.862 41.115 42.059 -0.136 0.000 0.903 138 L HN 0.188 nan 8.230 nan 0.000 0.435 139 A N -0.811 122.009 122.820 0.001 0.000 1.845 139 A HA -0.257 4.068 4.320 0.008 0.000 0.215 139 A C 2.276 179.901 177.584 0.070 0.000 1.195 139 A CA 1.662 53.743 52.037 0.074 0.000 0.616 139 A CB -0.617 18.468 19.000 0.140 0.000 0.832 139 A HN 0.368 nan 8.150 nan 0.000 0.443 140 Q N -0.159 119.665 119.800 0.039 0.000 2.046 140 Q HA -0.101 4.244 4.340 0.008 0.000 0.200 140 Q C 2.198 178.230 176.000 0.054 0.000 0.975 140 Q CA 2.204 58.037 55.803 0.049 0.000 0.836 140 Q CB -0.368 28.382 28.738 0.019 0.000 0.896 140 Q HN 0.399 nan 8.270 nan 0.000 0.428 141 V N 0.924 120.870 119.914 0.053 0.000 2.446 141 V HA -0.080 4.046 4.120 0.008 0.000 0.244 141 V C 1.812 177.923 176.094 0.029 0.000 1.039 141 V CA 1.405 63.731 62.300 0.044 0.000 1.045 141 V CB -0.137 31.714 31.823 0.046 0.000 0.681 141 V HN 0.217 nan 8.190 nan 0.000 0.459 142 E N -0.164 120.050 120.200 0.023 0.000 2.474 142 E HA 0.183 4.538 4.350 0.008 0.000 0.195 142 E C 1.679 178.295 176.600 0.026 0.000 1.039 142 E CA 0.688 57.097 56.400 0.014 0.000 0.881 142 E CB 0.464 30.162 29.700 -0.003 0.000 0.970 142 E HN 0.595 nan 8.360 nan 0.000 0.486 143 G N 1.588 110.414 108.800 0.043 0.000 2.179 143 G HA2 -0.317 3.648 3.960 0.008 0.000 0.257 143 G HA3 -0.317 3.648 3.960 0.008 0.000 0.257 143 G C 0.468 175.408 174.900 0.068 0.000 1.010 143 G CA 0.481 45.617 45.100 0.060 0.000 0.736 143 G HN 0.469 nan 8.290 nan 0.000 0.513 144 A N -0.808 122.050 122.820 0.063 0.000 2.302 144 A HA 0.759 5.084 4.320 0.008 0.000 0.285 144 A C 0.388 178.042 177.584 0.118 0.000 1.105 144 A CA -0.112 51.966 52.037 0.067 0.000 0.816 144 A CB 1.447 20.464 19.000 0.029 0.000 1.067 144 A HN 1.067 nan 8.150 nan 0.000 0.489 145 V N 2.769 122.761 119.914 0.131 0.000 2.364 145 V HA 0.322 4.448 4.120 0.008 0.000 0.272 145 V C -0.127 176.091 176.094 0.207 0.000 1.036 145 V CA -0.014 62.393 62.300 0.179 0.000 0.880 145 V CB 0.618 32.540 31.823 0.165 0.000 0.991 145 V HN 0.712 nan 8.190 nan 0.000 0.460 146 L N 6.451 127.850 121.223 0.292 0.000 2.322 146 L HA 0.770 5.115 4.340 0.008 0.000 0.281 146 L C -0.815 176.337 176.870 0.470 0.000 1.014 146 L CA -0.222 54.842 54.840 0.373 0.000 0.815 146 L CB 1.844 44.119 42.059 0.359 0.000 1.247 146 L HN 0.428 nan 8.230 nan 0.000 0.421 147 V N 3.123 123.292 119.914 0.426 0.000 2.656 147 V HA 0.735 4.860 4.120 0.008 0.000 0.307 147 V C -0.604 175.736 176.094 0.411 0.000 1.051 147 V CA -0.408 62.101 62.300 0.349 0.000 0.893 147 V CB 2.124 34.083 31.823 0.226 0.000 0.999 147 V HN 0.860 nan 8.190 nan 0.000 0.426 148 S N 4.887 120.819 115.700 0.386 0.000 2.546 148 S HA 0.893 5.368 4.470 0.008 0.000 0.274 148 S C -0.951 173.801 174.600 0.254 0.000 1.121 148 S CA -0.836 57.599 58.200 0.391 0.000 0.887 148 S CB 2.344 65.906 63.200 0.603 0.000 1.094 148 S HN 0.923 nan 8.310 nan 0.000 0.474 149 M N 1.284 121.003 119.600 0.198 0.000 2.518 149 M HA 0.627 5.112 4.480 0.008 0.000 0.300 149 M C -1.757 174.755 176.300 0.353 0.000 1.175 149 M CA -0.589 54.810 55.300 0.165 0.000 0.890 149 M CB 1.255 33.767 32.600 -0.148 0.000 1.710 149 M HN 0.557 nan 8.290 nan 0.000 0.453 150 N N 3.084 122.057 118.700 0.456 0.000 2.530 150 N HA 0.511 5.256 4.740 0.008 0.000 0.273 150 N C -1.261 174.528 175.510 0.466 0.000 1.173 150 N CA 0.218 53.557 53.050 0.481 0.000 0.967 150 N CB 0.363 39.066 38.487 0.360 0.000 1.109 150 N HN 0.745 nan 8.380 nan 0.000 0.453 151 Y N -1.869 118.605 120.300 0.290 0.000 2.581 151 Y HA 0.564 5.119 4.550 0.008 0.000 0.345 151 Y C -0.136 175.899 175.900 0.226 0.000 1.036 151 Y CA -1.382 56.843 58.100 0.208 0.000 1.042 151 Y CB 0.947 39.455 38.460 0.080 0.000 1.289 151 Y HN 0.194 nan 8.280 nan 0.000 0.471 152 R N 1.804 122.454 120.500 0.250 0.000 2.537 152 R HA 0.504 4.849 4.340 0.008 0.000 0.280 152 R C -0.295 176.170 176.300 0.274 0.000 1.058 152 R CA -0.265 55.934 56.100 0.164 0.000 1.057 152 R CB 0.920 31.284 30.300 0.108 0.000 0.973 152 R HN 0.710 nan 8.270 nan 0.000 0.438 153 V N -0.190 119.912 119.914 0.313 0.000 3.204 153 V HA 0.854 4.979 4.120 0.008 0.000 0.316 153 V C 0.837 177.270 176.094 0.564 0.000 1.160 153 V CA -0.225 62.376 62.300 0.502 0.000 1.044 153 V CB 1.075 33.084 31.823 0.311 0.000 1.136 153 V HN 0.958 nan 8.190 nan 0.000 0.455 154 G N 1.577 110.731 108.800 0.589 0.000 2.574 154 G HA2 -0.316 3.649 3.960 0.008 0.000 0.295 154 G HA3 -0.316 3.649 3.960 0.008 0.000 0.295 154 G C 1.064 176.124 174.900 0.267 0.000 1.300 154 G CA 1.848 47.222 45.100 0.456 0.000 0.944 154 G HN 2.348 nan 8.290 nan 0.000 0.551 155 T N -1.762 112.679 114.554 -0.187 0.000 2.653 155 T HA -0.227 4.128 4.350 0.008 0.000 0.268 155 T C 2.113 176.666 174.700 -0.245 0.000 1.035 155 T CA 2.812 64.529 62.100 -0.638 0.000 1.154 155 T CB -0.541 67.800 68.868 -0.879 0.000 0.862 155 T HN 0.628 nan 8.240 nan 0.000 0.441 156 F N 2.149 122.138 119.950 0.064 0.000 2.216 156 F HA 0.207 4.739 4.527 0.008 0.000 0.300 156 F C 2.792 178.581 175.800 -0.019 0.000 1.085 156 F CA 0.797 58.792 58.000 -0.009 0.000 1.326 156 F CB -0.893 38.078 39.000 -0.048 0.000 1.027 156 F HN 0.391 nan 8.300 nan 0.000 0.497 157 G N -1.948 106.941 108.800 0.148 0.000 2.656 157 G HA2 0.026 3.991 3.960 0.008 0.000 0.211 157 G HA3 0.026 3.991 3.960 0.008 0.000 0.211 157 G C 0.968 175.420 174.900 -0.747 0.000 1.137 157 G CA 0.268 45.203 45.100 -0.274 0.000 0.802 157 G HN 0.359 nan 8.290 nan 0.000 0.527 158 F N -0.731 119.292 119.950 0.122 0.000 2.925 158 F HA 0.416 4.949 4.527 0.009 0.000 0.355 158 F C 0.541 176.391 175.800 0.083 0.000 1.073 158 F CA -0.920 57.129 58.000 0.082 0.000 1.127 158 F CB 0.343 39.394 39.000 0.085 0.000 1.123 158 F HN -0.081 nan 8.300 nan 0.000 0.551 159 L N 2.305 123.545 121.223 0.028 0.000 2.559 159 L HA 0.452 4.797 4.340 0.008 0.000 0.274 159 L C -0.045 176.781 176.870 -0.074 0.000 1.205 159 L CA 0.038 54.793 54.840 -0.142 0.000 0.907 159 L CB 0.265 41.939 42.059 -0.642 0.000 1.153 159 L HN 0.123 nan 8.230 nan 0.000 0.490 160 A N 6.366 129.198 122.820 0.020 0.000 2.414 160 A HA 0.689 5.014 4.320 0.008 0.000 0.306 160 A C -0.973 176.585 177.584 -0.043 0.000 1.054 160 A CA -0.640 51.388 52.037 -0.016 0.000 0.724 160 A CB 1.343 20.365 19.000 0.038 0.000 1.267 160 A HN 0.736 nan 8.150 nan 0.000 0.418 161 L N 3.099 124.283 121.223 -0.066 0.000 2.387 161 L HA 0.310 4.655 4.340 0.008 0.000 0.259 161 L C -2.452 174.402 176.870 -0.026 0.000 1.050 161 L CA -1.819 52.990 54.840 -0.051 0.000 0.922 161 L CB 1.400 43.414 42.059 -0.074 0.000 1.280 161 L HN 0.411 nan 8.230 nan 0.000 0.449 162 P HA 0.082 nan 4.420 nan 0.000 0.262 162 P C 0.926 178.224 177.300 -0.004 0.000 1.182 162 P CA 0.815 63.913 63.100 -0.003 0.000 0.761 162 P CB 1.077 32.776 31.700 -0.001 0.000 0.795 163 G N 2.007 110.809 108.800 0.003 0.000 2.475 163 G HA2 -0.254 3.711 3.960 0.008 0.000 0.209 163 G HA3 -0.254 3.711 3.960 0.008 0.000 0.209 163 G C 0.514 175.416 174.900 0.003 0.000 1.127 163 G CA 0.179 45.281 45.100 0.003 0.000 0.681 163 G HN 0.821 nan 8.290 nan 0.000 0.517 164 S N 0.749 116.447 115.700 -0.004 0.000 2.572 164 S HA 0.394 4.869 4.470 0.008 0.000 0.267 164 S C 1.287 175.891 174.600 0.006 0.000 1.361 164 S CA 0.956 59.154 58.200 -0.004 0.000 1.009 164 S CB 1.446 64.636 63.200 -0.017 0.000 0.888 164 S HN 0.618 nan 8.310 nan 0.000 0.553 165 R N 0.343 120.849 120.500 0.010 0.000 2.140 165 R HA 0.057 4.402 4.340 0.008 0.000 0.213 165 R C 1.267 177.584 176.300 0.028 0.000 1.059 165 R CA 1.107 57.219 56.100 0.019 0.000 1.000 165 R CB -0.175 30.136 30.300 0.018 0.000 0.910 165 R HN 0.828 nan 8.270 nan 0.000 0.455 166 E N -0.840 119.375 120.200 0.025 0.000 2.474 166 E HA 0.152 4.507 4.350 0.008 0.000 0.194 166 E C -0.324 176.312 176.600 0.060 0.000 1.041 166 E CA 0.321 56.748 56.400 0.046 0.000 0.874 166 E CB 1.388 31.113 29.700 0.041 0.000 0.914 166 E HN 0.216 nan 8.360 nan 0.000 0.498 167 A N 1.040 123.870 122.820 0.017 0.000 3.399 167 A HA 0.243 4.568 4.320 0.008 0.000 0.262 167 A C -2.220 175.356 177.584 -0.013 0.000 1.145 167 A CA -0.812 51.220 52.037 -0.009 0.000 0.916 167 A CB 0.387 19.292 19.000 -0.160 0.000 1.360 167 A HN -0.087 nan 8.150 nan 0.000 0.628 168 P HA 0.121 nan 4.420 nan 0.000 0.226 168 P C 0.968 178.280 177.300 0.020 0.000 1.153 168 P CA 1.981 65.094 63.100 0.021 0.000 0.777 168 P CB 0.152 31.875 31.700 0.038 0.000 0.794 169 G N 0.385 109.193 108.800 0.014 0.000 2.661 169 G HA2 -0.171 3.794 3.960 0.008 0.000 0.685 169 G HA3 -0.171 3.794 3.960 0.008 0.000 0.685 169 G C -0.111 174.781 174.900 -0.013 0.000 1.298 169 G CA -0.285 44.826 45.100 0.018 0.000 0.855 169 G HN 0.099 nan 8.290 nan 0.000 0.560 170 N N -2.404 116.284 118.700 -0.020 0.000 2.732 170 N HA -0.286 4.459 4.740 0.008 0.000 0.250 170 N C 1.925 177.276 175.510 -0.266 0.000 1.097 170 N CA 2.515 55.485 53.050 -0.133 0.000 0.812 170 N CB -1.584 36.774 38.487 -0.215 0.000 1.148 170 N HN 1.931 nan 8.380 nan 0.000 0.572 171 V N -2.612 117.138 119.914 -0.273 0.000 2.626 171 V HA 0.019 4.144 4.120 0.008 0.000 0.252 171 V C 2.313 178.269 176.094 -0.230 0.000 1.067 171 V CA 2.264 64.457 62.300 -0.177 0.000 1.081 171 V CB -0.885 30.889 31.823 -0.081 0.000 0.686 171 V HN 0.267 nan 8.190 nan 0.000 0.468 172 G N 0.785 109.231 108.800 -0.590 0.000 2.440 172 G HA2 -0.198 3.767 3.960 0.008 0.000 0.218 172 G HA3 -0.198 3.767 3.960 0.008 0.000 0.218 172 G C 1.543 176.409 174.900 -0.057 0.000 1.154 172 G CA 1.368 46.259 45.100 -0.348 0.000 0.767 172 G HN 0.557 nan 8.290 nan 0.000 0.552 173 L N -0.155 120.980 121.223 -0.147 0.000 2.156 173 L HA 0.087 4.433 4.340 0.008 0.000 0.208 173 L C 2.843 179.767 176.870 0.090 0.000 1.095 173 L CA 0.263 55.007 54.840 -0.159 0.000 0.770 173 L CB -0.323 41.322 42.059 -0.690 0.000 0.914 173 L HN 0.173 nan 8.230 nan 0.000 0.439 174 L N -0.422 120.850 121.223 0.083 0.000 2.093 174 L HA -0.206 4.139 4.340 0.008 0.000 0.208 174 L C 2.232 179.227 176.870 0.209 0.000 1.085 174 L CA 0.970 55.940 54.840 0.218 0.000 0.755 174 L CB -0.660 41.498 42.059 0.166 0.000 0.904 174 L HN 0.300 nan 8.230 nan 0.000 0.435 175 D N -0.013 120.500 120.400 0.188 0.000 2.133 175 D HA -0.221 4.424 4.640 0.008 0.000 0.195 175 D C 2.257 178.706 176.300 0.248 0.000 0.997 175 D CA 1.269 55.461 54.000 0.320 0.000 0.840 175 D CB -0.178 40.835 40.800 0.356 0.000 0.947 175 D HN 0.439 nan 8.370 nan 0.000 0.452 176 Q N 0.118 119.996 119.800 0.130 0.000 2.016 176 Q HA -0.094 4.251 4.340 0.008 0.000 0.200 176 Q C 2.319 178.312 176.000 -0.011 0.000 0.978 176 Q CA 0.896 56.699 55.803 0.000 0.000 0.833 176 Q CB -0.086 28.655 28.738 0.005 0.000 0.895 176 Q HN 0.175 nan 8.270 nan 0.000 0.427 177 R N 0.562 121.156 120.500 0.157 0.000 2.117 177 R HA -0.209 4.136 4.340 0.008 0.000 0.243 177 R C 2.204 178.562 176.300 0.097 0.000 1.143 177 R CA 1.176 57.353 56.100 0.129 0.000 0.968 177 R CB -0.253 30.212 30.300 0.275 0.000 0.863 177 R HN 0.210 nan 8.270 nan 0.000 0.444 178 L N 0.494 121.805 121.223 0.148 0.000 2.017 178 L HA -0.053 4.292 4.340 0.008 0.000 0.208 178 L C 2.255 179.198 176.870 0.122 0.000 1.073 178 L CA 2.194 57.154 54.840 0.201 0.000 0.745 178 L CB -0.823 41.446 42.059 0.350 0.000 0.894 178 L HN 0.238 nan 8.230 nan 0.000 0.432 179 A N -0.574 122.137 122.820 -0.182 0.000 1.933 179 A HA -0.152 4.173 4.320 0.008 0.000 0.218 179 A C 2.227 179.782 177.584 -0.049 0.000 1.175 179 A CA 1.827 53.620 52.037 -0.406 0.000 0.628 179 A CB -0.815 17.669 19.000 -0.859 0.000 0.814 179 A HN 0.515 nan 8.150 nan 0.000 0.444 180 L N -1.137 120.059 121.223 -0.046 0.000 2.083 180 L HA -0.242 4.103 4.340 0.008 0.000 0.209 180 L C 2.789 179.709 176.870 0.083 0.000 1.083 180 L CA 1.654 56.500 54.840 0.010 0.000 0.752 180 L CB -0.878 41.146 42.059 -0.058 0.000 0.899 180 L HN 0.507 nan 8.230 nan 0.000 0.433 181 Q N -1.021 118.839 119.800 0.100 0.000 2.119 181 Q HA -0.248 4.097 4.340 0.008 0.000 0.201 181 Q C 2.052 178.142 176.000 0.150 0.000 0.972 181 Q CA 1.849 57.718 55.803 0.111 0.000 0.847 181 Q CB -0.245 28.563 28.738 0.116 0.000 0.903 181 Q HN 0.519 nan 8.270 nan 0.000 0.433 182 W N 0.228 121.549 121.300 0.035 0.000 2.342 182 W HA -0.214 4.450 4.660 0.008 0.000 0.297 182 W C 1.782 178.337 176.519 0.060 0.000 1.213 182 W CA 1.254 58.639 57.345 0.066 0.000 1.251 182 W CB -0.007 29.498 29.460 0.074 0.000 1.136 182 W HN -0.135 nan 8.180 nan 0.000 0.526 183 V N 0.659 120.764 119.914 0.319 0.000 2.307 183 V HA -0.323 3.802 4.120 0.008 0.000 0.245 183 V C 2.556 178.669 176.094 0.032 0.000 1.045 183 V CA 1.937 64.359 62.300 0.204 0.000 1.024 183 V CB -1.043 30.915 31.823 0.225 0.000 0.651 183 V HN 0.157 nan 8.190 nan 0.000 0.449 184 Q N 0.055 119.879 119.800 0.040 0.000 2.029 184 Q HA -0.312 4.033 4.340 0.008 0.000 0.209 184 Q C 2.278 178.245 176.000 -0.054 0.000 0.999 184 Q CA 2.564 58.374 55.803 0.011 0.000 0.857 184 Q CB -0.413 28.337 28.738 0.021 0.000 0.926 184 Q HN 0.826 nan 8.270 nan 0.000 0.415 185 E N -0.270 119.861 120.200 -0.115 0.000 2.107 185 E HA -0.100 4.255 4.350 0.008 0.000 0.191 185 E C 1.283 177.733 176.600 -0.250 0.000 0.982 185 E CA 1.026 57.328 56.400 -0.165 0.000 0.809 185 E CB 0.217 29.814 29.700 -0.172 0.000 0.756 185 E HN 0.316 nan 8.360 nan 0.000 0.459 186 N N -0.142 118.301 118.700 -0.428 0.000 2.273 186 N HA -0.008 4.737 4.740 0.008 0.000 0.192 186 N C 1.510 176.883 175.510 -0.228 0.000 1.132 186 N CA 0.082 52.829 53.050 -0.506 0.000 0.887 186 N CB 0.290 38.091 38.487 -1.144 0.000 1.048 186 N HN 0.146 nan 8.380 nan 0.000 0.490 187 I N 2.354 122.857 120.570 -0.111 0.000 2.567 187 I HA -0.133 4.042 4.170 0.008 0.000 0.257 187 I C 2.098 178.313 176.117 0.163 0.000 1.184 187 I CA 0.541 61.921 61.300 0.134 0.000 1.451 187 I CB -0.185 37.889 38.000 0.122 0.000 1.089 187 I HN 0.053 nan 8.210 nan 0.000 0.441 188 A N 0.044 122.886 122.820 0.038 0.000 2.067 188 A HA 0.002 4.327 4.320 0.008 0.000 0.219 188 A C 2.474 180.046 177.584 -0.021 0.000 1.158 188 A CA 1.241 53.288 52.037 0.017 0.000 0.661 188 A CB -0.939 18.049 19.000 -0.020 0.000 0.801 188 A HN 0.451 nan 8.150 nan 0.000 0.452 189 A N -1.165 121.602 122.820 -0.089 0.000 2.024 189 A HA -0.003 4.322 4.320 0.008 0.000 0.220 189 A C 1.578 178.948 177.584 -0.356 0.000 1.164 189 A CA 1.337 53.211 52.037 -0.271 0.000 0.643 189 A CB -0.635 18.097 19.000 -0.447 0.000 0.806 189 A HN 0.510 nan 8.150 nan 0.000 0.451 190 F N -1.318 118.583 119.950 -0.081 0.000 2.695 190 F HA 0.384 4.916 4.527 0.009 0.000 0.303 190 F C 1.689 177.493 175.800 0.007 0.000 1.091 190 F CA 0.540 58.508 58.000 -0.053 0.000 1.300 190 F CB 0.314 39.300 39.000 -0.025 0.000 1.071 190 F HN 0.324 nan 8.300 nan 0.000 0.578 191 G N 0.618 109.499 108.800 0.135 0.000 2.142 191 G HA2 -0.119 3.846 3.960 0.008 0.000 0.225 191 G HA3 -0.119 3.846 3.960 0.008 0.000 0.225 191 G C 0.415 175.382 174.900 0.112 0.000 1.015 191 G CA -0.268 44.890 45.100 0.097 0.000 0.716 191 G HN 0.711 nan 8.290 nan 0.000 0.508 192 G N -0.744 108.137 108.800 0.134 0.000 2.412 192 G HA2 0.528 4.493 3.960 0.008 0.000 0.318 192 G HA3 0.528 4.493 3.960 0.008 0.000 0.318 192 G C -0.914 174.032 174.900 0.077 0.000 1.146 192 G CA -0.026 45.143 45.100 0.115 0.000 0.882 192 G HN 0.211 nan 8.290 nan 0.000 0.501 193 D N 1.402 121.840 120.400 0.063 0.000 2.412 193 D HA 0.338 4.983 4.640 0.008 0.000 0.224 193 D C -1.531 174.802 176.300 0.054 0.000 1.093 193 D CA -2.367 51.655 54.000 0.036 0.000 0.850 193 D CB 1.990 42.794 40.800 0.007 0.000 1.046 193 D HN -0.014 nan 8.370 nan 0.000 0.507 194 P HA 0.009 nan 4.420 nan 0.000 0.234 194 P C 1.013 178.412 177.300 0.165 0.000 1.167 194 P CA 0.733 63.895 63.100 0.104 0.000 0.763 194 P CB 0.048 31.788 31.700 0.067 0.000 0.835 195 M N -2.128 117.493 119.600 0.034 0.000 2.431 195 M HA 0.131 4.616 4.480 0.008 0.000 0.237 195 M C 0.516 176.487 176.300 -0.547 0.000 1.130 195 M CA 0.470 55.666 55.300 -0.174 0.000 1.002 195 M CB 0.270 32.777 32.600 -0.154 0.000 1.524 195 M HN -0.237 nan 8.290 nan 0.000 0.482 196 S N 1.065 116.668 115.700 -0.161 0.000 2.317 196 S HA 0.395 4.870 4.470 0.008 0.000 0.144 196 S C -0.914 173.769 174.600 0.139 0.000 1.660 196 S CA -0.406 57.742 58.200 -0.087 0.000 1.273 196 S CB 0.521 63.672 63.200 -0.082 0.000 1.330 196 S HN 0.016 nan 8.310 nan 0.000 0.395 197 V N 3.439 123.597 119.914 0.408 0.000 2.378 197 V HA 0.506 4.631 4.120 0.008 0.000 0.288 197 V C 0.095 176.362 176.094 0.288 0.000 1.016 197 V CA -0.397 62.088 62.300 0.308 0.000 0.840 197 V CB 1.755 33.747 31.823 0.281 0.000 0.994 197 V HN 0.625 nan 8.190 nan 0.000 0.431 198 T N 6.668 121.345 114.554 0.204 0.000 2.794 198 T HA 0.607 4.962 4.350 0.008 0.000 0.280 198 T C -0.223 174.608 174.700 0.218 0.000 0.987 198 T CA -0.348 61.873 62.100 0.202 0.000 0.993 198 T CB 0.979 69.922 68.868 0.125 0.000 0.939 198 T HN 0.349 nan 8.240 nan 0.000 0.449 199 L N 4.990 126.305 121.223 0.152 0.000 2.276 199 L HA 0.622 4.967 4.340 0.008 0.000 0.286 199 L C -0.470 176.584 176.870 0.306 0.000 1.061 199 L CA -0.915 53.983 54.840 0.097 0.000 0.807 199 L CB 0.221 42.115 42.059 -0.276 0.000 1.177 199 L HN 0.606 nan 8.230 nan 0.000 0.429 200 F N 1.004 121.023 119.950 0.115 0.000 2.551 200 F HA 0.992 5.523 4.527 0.008 0.000 0.316 200 F C -0.104 175.665 175.800 -0.051 0.000 1.089 200 F CA -1.588 56.527 58.000 0.193 0.000 0.915 200 F CB 1.598 40.885 39.000 0.478 0.000 1.186 200 F HN 0.438 nan 8.300 nan 0.000 0.456 201 G N 1.352 109.982 108.800 -0.285 0.000 2.608 201 G HA2 0.520 4.485 3.960 0.008 0.000 0.291 201 G HA3 0.520 4.485 3.960 0.008 0.000 0.291 201 G C -2.320 172.308 174.900 -0.452 0.000 1.425 201 G CA -0.723 43.795 45.100 -0.969 0.000 0.787 201 G HN 0.868 nan 8.290 nan 0.000 0.484 205 G N 0.560 109.132 108.800 -0.380 0.000 2.402 205 G HA2 0.139 4.104 3.960 0.008 0.000 0.216 205 G HA3 0.139 4.104 3.960 0.008 0.000 0.216 205 G C 1.649 176.354 174.900 -0.325 0.000 1.162 205 G CA 1.663 46.503 45.100 -0.433 0.000 0.777 205 G HN 1.224 nan 8.290 nan 0.000 0.539 206 A N 1.102 123.802 122.820 -0.201 0.000 1.933 206 A HA 0.299 4.624 4.320 0.008 0.000 0.218 206 A C 2.782 180.331 177.584 -0.059 0.000 1.175 206 A CA 2.147 54.130 52.037 -0.089 0.000 0.628 206 A CB -0.676 18.337 19.000 0.022 0.000 0.814 206 A HN 0.731 nan 8.150 nan 0.000 0.444 207 A N -0.466 122.339 122.820 -0.024 0.000 1.898 207 A HA -0.046 4.279 4.320 0.008 0.000 0.216 207 A C 2.420 179.980 177.584 -0.039 0.000 1.181 207 A CA 1.940 53.955 52.037 -0.036 0.000 0.620 207 A CB -0.891 18.106 19.000 -0.005 0.000 0.819 207 A HN 0.447 nan 8.150 nan 0.000 0.442 208 S N -0.233 115.441 115.700 -0.043 0.000 2.365 208 S HA -0.186 4.289 4.470 0.008 0.000 0.225 208 S C 1.892 176.429 174.600 -0.104 0.000 1.039 208 S CA 1.582 59.713 58.200 -0.115 0.000 1.033 208 S CB -0.655 62.420 63.200 -0.208 0.000 0.887 208 S HN 0.352 nan 8.310 nan 0.000 0.447 209 V N 1.621 121.482 119.914 -0.089 0.000 2.282 209 V HA -0.211 3.914 4.120 0.008 0.000 0.249 209 V C 2.610 178.679 176.094 -0.042 0.000 1.057 209 V CA 2.065 64.320 62.300 -0.075 0.000 1.032 209 V CB -1.524 30.234 31.823 -0.108 0.000 0.645 209 V HN 0.612 nan 8.190 nan 0.000 0.447 210 G N -0.552 108.219 108.800 -0.048 0.000 2.421 210 G HA2 -0.240 3.725 3.960 0.008 0.000 0.216 210 G HA3 -0.240 3.725 3.960 0.008 0.000 0.216 210 G C 1.510 176.409 174.900 -0.002 0.000 1.171 210 G CA 1.063 46.141 45.100 -0.036 0.000 0.775 210 G HN 0.352 nan 8.290 nan 0.000 0.543 211 M N 0.561 120.137 119.600 -0.040 0.000 2.143 211 M HA -0.118 4.367 4.480 0.008 0.000 0.258 211 M C 2.182 178.547 176.300 0.109 0.000 1.071 211 M CA 1.253 56.560 55.300 0.010 0.000 1.088 211 M CB -1.370 31.163 32.600 -0.111 0.000 1.360 211 M HN 0.288 nan 8.290 nan 0.000 0.404 212 H N -0.341 118.831 119.070 0.170 0.000 2.403 212 H HA 0.129 4.690 4.556 0.008 0.000 0.298 212 H C 2.301 177.807 175.328 0.297 0.000 1.059 212 H CA 1.067 57.232 56.048 0.194 0.000 1.363 212 H CB -0.214 29.555 29.762 0.012 0.000 1.410 212 H HN 0.379 nan 8.280 nan 0.000 0.528 213 I N 0.748 121.545 120.570 0.379 0.000 2.361 213 I HA -0.239 3.936 4.170 0.008 0.000 0.251 213 I C 1.865 178.133 176.117 0.250 0.000 1.133 213 I CA 1.021 62.540 61.300 0.364 0.000 1.413 213 I CB -0.021 38.075 38.000 0.160 0.000 1.073 213 I HN 0.121 nan 8.210 nan 0.000 0.424 214 L N -1.157 120.178 121.223 0.187 0.000 2.567 214 L HA 0.092 4.437 4.340 0.008 0.000 0.225 214 L C 0.985 177.916 176.870 0.101 0.000 1.119 214 L CA 0.076 55.016 54.840 0.167 0.000 0.871 214 L CB 0.062 42.196 42.059 0.126 0.000 1.036 214 L HN 0.004 nan 8.230 nan 0.000 0.459 215 S N 0.277 116.008 115.700 0.052 0.000 2.520 215 S HA 0.230 4.706 4.470 0.008 0.000 0.324 215 S C 1.103 175.638 174.600 -0.108 0.000 1.069 215 S CA -0.602 57.520 58.200 -0.130 0.000 1.121 215 S CB 0.792 63.674 63.200 -0.530 0.000 0.971 215 S HN 0.054 nan 8.310 nan 0.000 0.463 216 L N 6.242 127.414 121.223 -0.085 0.000 2.011 216 L HA -0.076 4.269 4.340 0.008 0.000 0.225 216 L C -0.778 176.048 176.870 -0.072 0.000 1.084 216 L CA 2.487 57.290 54.840 -0.063 0.000 0.791 216 L CB -2.307 39.717 42.059 -0.059 0.000 0.898 216 L HN 0.520 nan 8.230 nan 0.000 0.440 217 P HA -0.054 nan 4.420 nan 0.000 0.228 217 P C 1.619 178.898 177.300 -0.033 0.000 1.151 217 P CA 0.946 64.002 63.100 -0.073 0.000 0.770 217 P CB 0.109 31.756 31.700 -0.088 0.000 0.786 218 S N -1.138 114.559 115.700 -0.004 0.000 2.470 218 S HA 0.048 4.523 4.470 0.008 0.000 0.222 218 S C 1.855 176.544 174.600 0.149 0.000 1.024 218 S CA 0.145 58.431 58.200 0.143 0.000 0.931 218 S CB -0.263 63.152 63.200 0.357 0.000 0.791 218 S HN 0.014 nan 8.310 nan 0.000 0.513 219 R N 2.321 122.826 120.500 0.008 0.000 2.103 219 R HA -0.053 4.292 4.340 0.008 0.000 0.242 219 R C 2.405 178.462 176.300 -0.405 0.000 1.142 219 R CA 1.697 57.650 56.100 -0.245 0.000 0.960 219 R CB -1.358 28.863 30.300 -0.132 0.000 0.858 219 R HN 0.574 nan 8.270 nan 0.000 0.439 220 S N -0.169 115.405 115.700 -0.210 0.000 2.603 220 S HA 0.037 4.512 4.470 0.008 0.000 0.229 220 S C 1.681 176.158 174.600 -0.206 0.000 0.972 220 S CA 0.389 58.473 58.200 -0.193 0.000 0.935 220 S CB -0.173 62.969 63.200 -0.096 0.000 0.769 220 S HN 0.268 nan 8.310 nan 0.000 0.536 221 L N 0.146 121.264 121.223 -0.175 0.000 2.693 221 L HA 0.472 4.818 4.340 0.008 0.000 0.235 221 L C 0.066 176.927 176.870 -0.016 0.000 1.127 221 L CA -0.309 54.505 54.840 -0.043 0.000 0.914 221 L CB -0.051 42.049 42.059 0.070 0.000 1.193 221 L HN 0.512 nan 8.230 nan 0.000 0.502 222 F N -4.267 115.473 119.950 -0.350 0.000 2.711 222 F HA 0.484 5.015 4.527 0.008 0.000 0.313 222 F C 0.491 175.939 175.800 -0.588 0.000 1.141 222 F CA -0.994 56.767 58.000 -0.398 0.000 0.941 222 F CB 0.819 39.738 39.000 -0.135 0.000 1.349 222 F HN -0.167 nan 8.300 nan 0.000 0.464 223 H N -0.657 118.466 119.070 0.089 0.000 3.091 223 H HA 0.458 5.019 4.556 0.008 0.000 0.249 223 H C -0.141 175.224 175.328 0.061 0.000 0.985 223 H CA 0.046 56.076 56.048 -0.030 0.000 1.177 223 H CB 0.951 30.697 29.762 -0.027 0.000 1.456 223 H HN 0.438 nan 8.280 nan 0.000 0.467 224 R N 0.075 120.771 120.500 0.326 0.000 2.739 224 R HA 0.701 5.046 4.340 0.008 0.000 0.271 224 R C -1.476 175.061 176.300 0.395 0.000 1.010 224 R CA -0.707 55.553 56.100 0.266 0.000 0.897 224 R CB 2.872 33.151 30.300 -0.036 0.000 1.236 224 R HN 0.127 nan 8.270 nan 0.000 0.466 225 A N 1.333 124.397 122.820 0.406 0.000 2.437 225 A HA 0.571 4.896 4.320 0.008 0.000 0.293 225 A C -1.332 176.394 177.584 0.236 0.000 1.038 225 A CA -0.587 51.619 52.037 0.281 0.000 0.708 225 A CB 1.616 20.740 19.000 0.206 0.000 1.251 225 A HN 0.303 nan 8.150 nan 0.000 0.409 226 V N 2.793 122.825 119.914 0.197 0.000 2.398 226 V HA 0.519 4.644 4.120 0.008 0.000 0.286 226 V C -0.822 175.369 176.094 0.163 0.000 1.026 226 V CA -0.357 62.006 62.300 0.105 0.000 0.868 226 V CB 1.132 33.060 31.823 0.175 0.000 0.982 226 V HN 0.685 nan 8.190 nan 0.000 0.443 227 L N 5.368 126.660 121.223 0.114 0.000 2.318 227 L HA 0.490 4.835 4.340 0.008 0.000 0.277 227 L C -0.016 176.963 176.870 0.181 0.000 1.008 227 L CA 0.047 54.949 54.840 0.102 0.000 0.846 227 L CB 1.466 43.537 42.059 0.020 0.000 1.220 227 L HN 0.631 nan 8.230 nan 0.000 0.423 228 Q N 1.971 121.930 119.800 0.265 0.000 2.360 228 Q HA 0.464 4.809 4.340 0.008 0.000 0.254 228 Q C 0.151 176.293 176.000 0.236 0.000 0.975 228 Q CA -0.491 55.526 55.803 0.357 0.000 0.912 228 Q CB 1.199 30.244 28.738 0.511 0.000 1.212 228 Q HN 0.609 nan 8.270 nan 0.000 0.452 229 S N 1.009 116.828 115.700 0.199 0.000 3.706 229 S HA -0.142 4.333 4.470 0.008 0.000 0.363 229 S C 0.001 174.754 174.600 0.256 0.000 0.999 229 S CA 0.465 58.798 58.200 0.222 0.000 1.143 229 S CB -1.265 62.113 63.200 0.296 0.000 0.902 229 S HN 1.003 nan 8.310 nan 0.000 0.476 230 G N -0.331 108.588 108.800 0.197 0.000 2.556 230 G HA2 0.665 4.630 3.960 0.008 0.000 0.294 230 G HA3 0.665 4.630 3.960 0.008 0.000 0.294 230 G C -0.911 174.036 174.900 0.078 0.000 1.516 230 G CA 0.223 45.479 45.100 0.261 0.000 0.824 230 G HN 1.022 nan 8.290 nan 0.000 0.535 231 T N -1.188 113.349 114.554 -0.028 0.000 2.853 231 T HA 0.753 5.108 4.350 0.008 0.000 0.311 231 T C -2.483 172.058 174.700 -0.264 0.000 1.307 231 T CA -1.304 60.712 62.100 -0.140 0.000 1.019 231 T CB 2.925 71.704 68.868 -0.149 0.000 1.264 231 T HN 0.263 nan 8.240 nan 0.000 0.497 232 P HA 0.022 nan 4.420 nan 0.000 0.219 232 P C 0.484 177.620 177.300 -0.275 0.000 1.154 232 P CA 0.597 63.562 63.100 -0.225 0.000 0.826 232 P CB -0.186 31.438 31.700 -0.127 0.000 0.795 233 N N 1.050 119.619 118.700 -0.218 0.000 2.260 233 N HA 0.194 4.939 4.740 0.008 0.000 0.230 233 N C 0.755 176.066 175.510 -0.331 0.000 1.323 233 N CA 1.096 54.017 53.050 -0.216 0.000 0.897 233 N CB -0.455 37.950 38.487 -0.138 0.000 1.146 233 N HN 0.275 nan 8.380 nan 0.000 0.460 234 G N -1.269 107.350 108.800 -0.301 0.000 2.555 234 G HA2 -0.099 3.866 3.960 0.008 0.000 0.686 234 G HA3 -0.099 3.866 3.960 0.008 0.000 0.686 234 G C -2.234 172.419 174.900 -0.412 0.000 1.275 234 G CA -0.233 44.629 45.100 -0.397 0.000 0.871 234 G HN 0.578 nan 8.290 nan 0.000 0.603 235 P HA 0.123 nan 4.420 nan 0.000 0.249 235 P C 1.302 178.535 177.300 -0.112 0.000 1.229 235 P CA 1.690 64.650 63.100 -0.233 0.000 0.788 235 P CB -0.056 31.473 31.700 -0.284 0.000 1.072 236 W N -1.859 119.351 121.300 -0.151 0.000 2.835 236 W HA 0.532 5.196 4.660 0.007 0.000 0.278 236 W C 1.071 177.658 176.519 0.114 0.000 1.075 236 W CA 0.439 57.779 57.345 -0.008 0.000 1.439 236 W CB -0.752 28.754 29.460 0.077 0.000 0.927 236 W HN -0.171 nan 8.180 nan 0.000 0.604 237 A N 2.079 124.537 122.820 -0.602 0.000 2.066 237 A HA 0.108 4.433 4.320 0.008 0.000 0.218 237 A C 1.129 178.559 177.584 -0.257 0.000 1.157 237 A CA 1.894 53.661 52.037 -0.449 0.000 0.670 237 A CB -0.839 17.683 19.000 -0.797 0.000 0.804 237 A HN 0.253 nan 8.150 nan 0.000 0.453 238 T N -3.120 111.300 114.554 -0.223 0.000 2.883 238 T HA 0.618 4.973 4.350 0.008 0.000 0.296 238 T C -0.658 173.962 174.700 -0.132 0.000 1.117 238 T CA -0.145 61.835 62.100 -0.200 0.000 1.006 238 T CB 1.500 70.259 68.868 -0.181 0.000 1.191 238 T HN 0.828 nan 8.240 nan 0.000 0.508 239 V N -1.331 118.512 119.914 -0.118 0.000 2.962 239 V HA 0.888 5.013 4.120 0.008 0.000 0.313 239 V C 0.330 176.384 176.094 -0.068 0.000 1.099 239 V CA -0.928 61.320 62.300 -0.086 0.000 0.971 239 V CB 1.350 33.121 31.823 -0.086 0.000 1.028 239 V HN 1.357 nan 8.190 nan 0.000 0.430 240 S N 2.245 117.912 115.700 -0.056 0.000 2.584 240 S HA 0.502 4.977 4.470 0.008 0.000 0.270 240 S C 1.468 176.047 174.600 -0.035 0.000 1.346 240 S CA 0.194 58.369 58.200 -0.042 0.000 1.018 240 S CB 1.183 64.361 63.200 -0.038 0.000 0.899 240 S HN 2.018 nan 8.310 nan 0.000 0.542 241 A N 2.960 125.766 122.820 -0.024 0.000 1.908 241 A HA 0.063 4.388 4.320 0.008 0.000 0.218 241 A C 2.241 179.813 177.584 -0.020 0.000 1.181 241 A CA 1.937 53.963 52.037 -0.017 0.000 0.627 241 A CB -1.881 17.112 19.000 -0.011 0.000 0.818 241 A HN 1.217 nan 8.150 nan 0.000 0.445 242 G N -0.506 108.281 108.800 -0.023 0.000 2.421 242 G HA2 -0.252 3.713 3.960 0.008 0.000 0.216 242 G HA3 -0.252 3.713 3.960 0.008 0.000 0.216 242 G C 1.483 176.365 174.900 -0.030 0.000 1.171 242 G CA 1.415 46.501 45.100 -0.024 0.000 0.775 242 G HN 0.604 nan 8.290 nan 0.000 0.543 243 E N 0.975 121.152 120.200 -0.038 0.000 2.107 243 E HA 0.109 4.464 4.350 0.008 0.000 0.191 243 E C 2.628 179.192 176.600 -0.061 0.000 0.982 243 E CA 1.383 57.752 56.400 -0.052 0.000 0.809 243 E CB -0.565 29.099 29.700 -0.059 0.000 0.756 243 E HN 0.267 nan 8.360 nan 0.000 0.459 244 A N 0.927 123.718 122.820 -0.048 0.000 1.933 244 A HA -0.188 4.137 4.320 0.008 0.000 0.218 244 A C 2.283 179.865 177.584 -0.004 0.000 1.175 244 A CA 1.732 53.752 52.037 -0.028 0.000 0.628 244 A CB -0.613 18.387 19.000 -0.000 0.000 0.814 244 A HN 0.279 nan 8.150 nan 0.000 0.444 245 R N -0.632 119.860 120.500 -0.013 0.000 2.070 245 R HA -0.120 4.225 4.340 0.008 0.000 0.233 245 R C 2.470 178.763 176.300 -0.013 0.000 1.137 245 R CA 1.492 57.585 56.100 -0.012 0.000 0.945 245 R CB -0.354 29.936 30.300 -0.017 0.000 0.845 245 R HN 0.500 nan 8.270 nan 0.000 0.430 246 R N 0.460 120.946 120.500 -0.024 0.000 2.115 246 R HA -0.194 4.151 4.340 0.008 0.000 0.239 246 R C 2.330 178.615 176.300 -0.026 0.000 1.133 246 R CA 2.265 58.349 56.100 -0.026 0.000 0.935 246 R CB -0.197 30.081 30.300 -0.036 0.000 0.853 246 R HN 0.274 nan 8.270 nan 0.000 0.433 247 R N -0.492 119.974 120.500 -0.057 0.000 2.120 247 R HA -0.093 4.252 4.340 0.008 0.000 0.234 247 R C 2.290 178.635 176.300 0.076 0.000 1.123 247 R CA 1.316 57.362 56.100 -0.090 0.000 0.975 247 R CB -0.264 29.829 30.300 -0.345 0.000 0.866 247 R HN 0.293 nan 8.270 nan 0.000 0.446 248 A N 0.260 123.162 122.820 0.136 0.000 1.873 248 A HA -0.176 4.149 4.320 0.008 0.000 0.215 248 A C 2.264 179.873 177.584 0.042 0.000 1.186 248 A CA 1.993 54.130 52.037 0.167 0.000 0.616 248 A CB -0.902 18.137 19.000 0.063 0.000 0.823 248 A HN 0.417 nan 8.150 nan 0.000 0.442 249 T N -1.360 113.200 114.554 0.009 0.000 2.857 249 T HA -0.104 4.251 4.350 0.008 0.000 0.266 249 T C 1.820 176.520 174.700 -0.001 0.000 1.048 249 T CA 1.524 63.616 62.100 -0.013 0.000 1.139 249 T CB -0.415 68.441 68.868 -0.021 0.000 0.874 249 T HN 0.218 nan 8.240 nan 0.000 0.455 250 L N 0.986 122.218 121.223 0.014 0.000 2.012 250 L HA 0.118 4.463 4.340 0.008 0.000 0.210 250 L C 2.365 179.257 176.870 0.036 0.000 1.073 250 L CA 1.939 56.791 54.840 0.020 0.000 0.748 250 L CB -1.300 40.773 42.059 0.023 0.000 0.891 250 L HN 0.424 nan 8.230 nan 0.000 0.431 251 L N -0.176 121.099 121.223 0.086 0.000 2.042 251 L HA -0.175 4.170 4.340 0.008 0.000 0.210 251 L C 2.511 179.385 176.870 0.008 0.000 1.076 251 L CA 2.153 57.055 54.840 0.103 0.000 0.749 251 L CB -0.904 41.280 42.059 0.209 0.000 0.893 251 L HN 0.327 nan 8.230 nan 0.000 0.432 252 A N -0.193 122.617 122.820 -0.017 0.000 1.873 252 A HA -0.267 4.058 4.320 0.008 0.000 0.218 252 A C 2.379 179.934 177.584 -0.048 0.000 1.193 252 A CA 2.118 54.127 52.037 -0.046 0.000 0.629 252 A CB -0.679 18.288 19.000 -0.056 0.000 0.826 252 A HN 0.534 nan 8.150 nan 0.000 0.447 253 R N -0.639 119.837 120.500 -0.040 0.000 2.096 253 R HA -0.139 4.206 4.340 0.008 0.000 0.240 253 R C 2.055 178.306 176.300 -0.081 0.000 1.139 253 R CA 1.638 57.710 56.100 -0.046 0.000 0.952 253 R CB -0.750 29.532 30.300 -0.031 0.000 0.854 253 R HN 0.535 nan 8.270 nan 0.000 0.436 254 L N 0.887 122.045 121.223 -0.108 0.000 2.261 254 L HA -0.134 4.211 4.340 0.008 0.000 0.216 254 L C 2.089 178.715 176.870 -0.407 0.000 1.114 254 L CA 0.858 55.550 54.840 -0.246 0.000 0.777 254 L CB -0.236 41.687 42.059 -0.227 0.000 0.910 254 L HN 0.181 nan 8.230 nan 0.000 0.440 255 V N -4.772 115.005 119.914 -0.229 0.000 3.528 255 V HA 0.542 4.667 4.120 0.008 0.000 0.294 255 V C 0.965 177.020 176.094 -0.066 0.000 1.404 255 V CA 0.187 62.396 62.300 -0.152 0.000 1.065 255 V CB 0.122 31.913 31.823 -0.054 0.000 0.904 255 V HN 0.343 nan 8.190 nan 0.000 0.435 256 G N -0.302 108.458 108.800 -0.066 0.000 2.392 256 G HA2 -0.132 3.833 3.960 0.008 0.000 0.215 256 G HA3 -0.132 3.833 3.960 0.008 0.000 0.215 256 G C -0.281 174.604 174.900 -0.025 0.000 1.097 256 G CA -0.173 44.906 45.100 -0.036 0.000 0.840 256 G HN 0.747 nan 8.290 nan 0.000 0.492 266 D N 1.421 121.810 120.400 -0.019 0.000 2.144 266 D HA -0.074 4.571 4.640 0.008 0.000 0.200 266 D C 1.452 177.737 176.300 -0.025 0.000 0.978 266 D CA 1.647 55.630 54.000 -0.028 0.000 0.833 266 D CB 0.110 40.892 40.800 -0.029 0.000 0.961 266 D HN 0.577 nan 8.370 nan 0.000 0.470 267 T N 1.185 115.732 114.554 -0.012 0.000 2.635 267 T HA -0.184 4.171 4.350 0.008 0.000 0.267 267 T C 1.809 176.508 174.700 -0.001 0.000 1.040 267 T CA 1.301 63.399 62.100 -0.003 0.000 1.156 267 T CB -0.253 68.617 68.868 0.003 0.000 0.863 267 T HN 0.292 nan 8.240 nan 0.000 0.430 268 E N 0.425 120.623 120.200 -0.005 0.000 2.077 268 E HA -0.083 4.272 4.350 0.008 0.000 0.193 268 E C 2.258 178.854 176.600 -0.006 0.000 0.989 268 E CA 0.824 57.223 56.400 -0.003 0.000 0.800 268 E CB -0.281 29.416 29.700 -0.005 0.000 0.746 268 E HN 0.377 nan 8.360 nan 0.000 0.452 269 L N 0.846 122.058 121.223 -0.020 0.000 1.994 269 L HA -0.203 4.142 4.340 0.008 0.000 0.208 269 L C 2.279 179.126 176.870 -0.039 0.000 1.071 269 L CA 1.309 56.128 54.840 -0.034 0.000 0.745 269 L CB -0.107 41.921 42.059 -0.050 0.000 0.892 269 L HN 0.114 nan 8.230 nan 0.000 0.431 270 I N -0.159 120.384 120.570 -0.045 0.000 2.252 270 I HA -0.244 3.931 4.170 0.008 0.000 0.245 270 I C 2.707 178.862 176.117 0.064 0.000 1.102 270 I CA 1.046 62.326 61.300 -0.034 0.000 1.385 270 I CB -0.516 37.463 38.000 -0.035 0.000 1.064 270 I HN 0.323 nan 8.210 nan 0.000 0.414 271 A N -0.403 122.443 122.820 0.044 0.000 1.972 271 A HA -0.274 4.051 4.320 0.008 0.000 0.219 271 A C 2.489 180.103 177.584 0.050 0.000 1.169 271 A CA 1.883 53.951 52.037 0.051 0.000 0.635 271 A CB -1.170 17.848 19.000 0.030 0.000 0.810 271 A HN 0.633 nan 8.150 nan 0.000 0.446 272 c N -0.737 117.885 118.600 0.036 0.000 2.543 272 c HA 0.073 4.648 4.570 0.008 0.000 0.281 272 c C 2.525 176.646 174.090 0.052 0.000 1.276 272 c CA 0.956 57.303 56.329 0.030 0.000 1.700 272 c CB -1.507 41.009 42.510 0.011 0.000 2.093 272 c HN 0.592 nan 8.230 nan 0.000 0.488 273 L N 0.716 121.977 121.223 0.064 0.000 2.103 273 L HA -0.231 4.114 4.340 0.008 0.000 0.215 273 L C 2.920 179.914 176.870 0.206 0.000 1.080 273 L CA 1.893 56.811 54.840 0.130 0.000 0.764 273 L CB -0.662 41.461 42.059 0.106 0.000 0.890 273 L HN 0.428 nan 8.230 nan 0.000 0.435 274 R N -0.790 119.829 120.500 0.198 0.000 2.237 274 R HA -0.105 4.240 4.340 0.008 0.000 0.219 274 R C 2.220 178.544 176.300 0.040 0.000 1.080 274 R CA 1.586 57.748 56.100 0.103 0.000 0.995 274 R CB -0.340 30.015 30.300 0.092 0.000 0.875 274 R HN 0.545 nan 8.270 nan 0.000 0.462 275 T N -1.669 112.912 114.554 0.045 0.000 3.067 275 T HA 0.091 4.446 4.350 0.008 0.000 0.257 275 T C 0.977 175.691 174.700 0.024 0.000 1.105 275 T CA -0.119 61.997 62.100 0.026 0.000 1.104 275 T CB 0.187 69.070 68.868 0.024 0.000 0.925 275 T HN -0.136 nan 8.240 nan 0.000 0.498 276 R N 2.937 123.458 120.500 0.036 0.000 2.543 276 R HA 0.374 4.719 4.340 0.008 0.000 0.277 276 R C -2.657 173.657 176.300 0.023 0.000 1.074 276 R CA -2.406 53.715 56.100 0.036 0.000 1.076 276 R CB -0.211 30.118 30.300 0.048 0.000 0.993 276 R HN 0.305 nan 8.270 nan 0.000 0.459 277 P HA 0.090 nan 4.420 nan 0.000 0.275 277 P C 0.250 177.536 177.300 -0.023 0.000 1.228 277 P CA -0.076 63.016 63.100 -0.014 0.000 0.786 277 P CB 0.632 32.331 31.700 -0.003 0.000 0.927 278 A N 2.323 125.066 122.820 -0.130 0.000 1.915 278 A HA -0.315 4.010 4.320 0.008 0.000 0.220 278 A C 2.187 179.708 177.584 -0.105 0.000 1.198 278 A CA 2.211 54.139 52.037 -0.183 0.000 0.647 278 A CB -1.463 16.901 19.000 -1.059 0.000 0.825 278 A HN 0.540 nan 8.150 nan 0.000 0.456 279 Q N -0.150 119.557 119.800 -0.154 0.000 2.170 279 Q HA -0.169 4.176 4.340 0.008 0.000 0.203 279 Q C 1.369 177.477 176.000 0.179 0.000 0.976 279 Q CA 2.118 58.001 55.803 0.133 0.000 0.858 279 Q CB -0.468 28.374 28.738 0.173 0.000 0.907 279 Q HN 0.673 nan 8.270 nan 0.000 0.433 280 D N -0.630 119.854 120.400 0.139 0.000 2.117 280 D HA -0.129 4.516 4.640 0.008 0.000 0.197 280 D C 1.773 178.218 176.300 0.242 0.000 0.987 280 D CA 1.039 55.156 54.000 0.194 0.000 0.829 280 D CB -0.154 40.743 40.800 0.162 0.000 0.961 280 D HN 0.285 nan 8.370 nan 0.000 0.460 281 L N 0.023 121.343 121.223 0.162 0.000 2.017 281 L HA -0.143 4.202 4.340 0.008 0.000 0.208 281 L C 2.479 179.442 176.870 0.155 0.000 1.073 281 L CA 0.673 55.567 54.840 0.090 0.000 0.745 281 L CB -0.570 41.409 42.059 -0.135 0.000 0.894 281 L HN -0.023 nan 8.230 nan 0.000 0.432 282 V N -0.070 120.002 119.914 0.262 0.000 2.343 282 V HA -0.291 3.834 4.120 0.008 0.000 0.247 282 V C 2.055 178.330 176.094 0.302 0.000 1.051 282 V CA 1.928 64.437 62.300 0.349 0.000 1.036 282 V CB -0.561 31.569 31.823 0.511 0.000 0.654 282 V HN 0.424 nan 8.190 nan 0.000 0.451 283 D N -0.935 119.609 120.400 0.240 0.000 2.265 283 D HA -0.154 4.491 4.640 0.008 0.000 0.208 283 D C 1.788 178.064 176.300 -0.041 0.000 0.977 283 D CA 1.441 55.508 54.000 0.112 0.000 0.871 283 D CB -0.188 40.626 40.800 0.024 0.000 0.925 283 D HN 0.648 nan 8.370 nan 0.000 0.485 284 H N -1.131 118.072 119.070 0.220 0.000 2.827 284 H HA 0.161 4.722 4.556 0.008 0.000 0.269 284 H C 1.535 176.930 175.328 0.112 0.000 1.031 284 H CA -0.021 56.200 56.048 0.287 0.000 1.202 284 H CB 0.586 30.523 29.762 0.290 0.000 1.511 284 H HN 0.075 nan 8.280 nan 0.000 0.517 285 E N 0.568 120.838 120.200 0.117 0.000 2.171 285 E HA -0.226 4.129 4.350 0.008 0.000 0.197 285 E C 0.541 176.964 176.600 -0.294 0.000 0.997 285 E CA 1.312 57.698 56.400 -0.024 0.000 0.810 285 E CB -0.032 29.584 29.700 -0.140 0.000 0.738 285 E HN 0.611 nan 8.360 nan 0.000 0.467 286 W N -0.425 120.763 121.300 -0.187 0.000 3.290 286 W HA 0.085 4.750 4.660 0.008 0.000 0.287 286 W C 1.316 177.706 176.519 -0.214 0.000 1.288 286 W CA -0.232 56.947 57.345 -0.276 0.000 1.725 286 W CB 0.430 29.646 29.460 -0.406 0.000 1.103 286 W HN 0.153 nan 8.180 nan 0.000 0.670 287 H N -0.235 118.955 119.070 0.200 0.000 2.526 287 H HA 0.092 4.653 4.556 0.009 0.000 0.274 287 H C 1.766 177.148 175.328 0.089 0.000 0.999 287 H CA 0.726 56.869 56.048 0.159 0.000 1.157 287 H CB -0.291 29.591 29.762 0.201 0.000 1.407 287 H HN 0.220 nan 8.280 nan 0.000 0.568 288 V N -2.193 117.788 119.914 0.111 0.000 3.578 288 V HA 0.266 4.391 4.120 0.008 0.000 0.290 288 V C 0.647 176.712 176.094 -0.049 0.000 1.376 288 V CA -0.168 62.142 62.300 0.018 0.000 1.083 288 V CB -0.262 31.536 31.823 -0.041 0.000 0.911 288 V HN -0.026 nan 8.190 nan 0.000 0.433 289 L N 2.367 123.579 121.223 -0.018 0.000 2.397 289 L HA 0.339 4.684 4.340 0.008 0.000 0.271 289 L C -0.348 176.514 176.870 -0.014 0.000 1.148 289 L CA -1.297 53.522 54.840 -0.036 0.000 0.825 289 L CB 1.071 43.130 42.059 0.000 0.000 1.117 289 L HN 0.095 nan 8.230 nan 0.000 0.456 290 P HA -0.122 nan 4.420 nan 0.000 0.217 290 P C -0.183 177.116 177.300 -0.003 0.000 1.150 290 P CA 1.266 64.356 63.100 -0.017 0.000 0.832 290 P CB 0.360 32.044 31.700 -0.027 0.000 0.787 291 Q N -1.344 118.455 119.800 -0.002 0.000 2.528 291 Q HA 0.358 4.703 4.340 0.008 0.000 0.289 291 Q C -0.496 175.511 176.000 0.012 0.000 1.091 291 Q CA -0.813 54.993 55.803 0.006 0.000 0.797 291 Q CB 1.161 29.900 28.738 0.001 0.000 1.466 291 Q HN -0.017 nan 8.270 nan 0.000 0.436 292 E N 0.851 121.060 120.200 0.016 0.000 2.376 292 E HA 0.340 4.695 4.350 0.008 0.000 0.266 292 E C -1.013 175.588 176.600 0.002 0.000 1.009 292 E CA 0.086 56.495 56.400 0.016 0.000 0.902 292 E CB 0.378 30.089 29.700 0.020 0.000 0.972 292 E HN 0.596 nan 8.360 nan 0.000 0.439 293 S N 3.537 119.233 115.700 -0.007 0.000 2.588 293 S HA 0.583 5.058 4.470 0.008 0.000 0.269 293 S C -0.583 173.990 174.600 -0.044 0.000 1.157 293 S CA -1.035 57.148 58.200 -0.027 0.000 0.824 293 S CB 0.628 63.802 63.200 -0.043 0.000 1.126 293 S HN 0.546 nan 8.310 nan 0.000 0.464 294 I N -2.351 118.188 120.570 -0.052 0.000 2.740 294 I HA 0.821 4.996 4.170 0.008 0.000 0.303 294 I C 0.003 176.033 176.117 -0.145 0.000 1.044 294 I CA -1.105 60.152 61.300 -0.071 0.000 1.064 294 I CB 1.074 39.089 38.000 0.024 0.000 1.249 294 I HN 0.777 nan 8.210 nan 0.000 0.433 295 F N 1.478 121.101 119.950 -0.545 0.000 3.034 295 F HA -0.192 4.341 4.527 0.009 0.000 0.286 295 F C 0.043 175.181 175.800 -1.104 0.000 0.804 295 F CA 0.684 58.104 58.000 -0.967 0.000 1.161 295 F CB -0.664 37.802 39.000 -0.889 0.000 1.317 295 F HN 0.585 nan 8.300 nan 0.000 0.453 296 R N 0.333 120.386 120.500 -0.745 0.000 2.514 296 R HA 0.669 5.014 4.340 0.008 0.000 0.301 296 R C -0.768 175.097 176.300 -0.724 0.000 0.962 296 R CA -0.480 55.260 56.100 -0.601 0.000 0.882 296 R CB 1.189 31.366 30.300 -0.206 0.000 1.143 296 R HN 0.025 nan 8.270 nan 0.000 0.452 297 F N -0.837 119.207 119.950 0.156 0.000 2.551 297 F HA 0.335 4.867 4.527 0.008 0.000 0.316 297 F C 1.573 177.310 175.800 -0.106 0.000 1.089 297 F CA -0.822 57.236 58.000 0.096 0.000 0.915 297 F CB 1.760 40.924 39.000 0.272 0.000 1.186 297 F HN 0.362 nan 8.300 nan 0.000 0.456 298 S N 0.838 116.416 115.700 -0.202 0.000 2.348 298 S HA -0.029 4.446 4.470 0.008 0.000 0.221 298 S C 0.020 174.210 174.600 -0.684 0.000 1.033 298 S CA 1.286 59.186 58.200 -0.501 0.000 1.010 298 S CB -0.204 62.606 63.200 -0.651 0.000 0.891 298 S HN 0.370 nan 8.310 nan 0.000 0.442 299 F N 1.252 121.181 119.950 -0.036 0.000 2.382 299 F HA 0.538 5.070 4.527 0.008 0.000 0.361 299 F C -0.050 175.719 175.800 -0.052 0.000 1.109 299 F CA -0.916 57.091 58.000 0.013 0.000 1.031 299 F CB 1.324 40.371 39.000 0.078 0.000 1.234 299 F HN -0.087 nan 8.300 nan 0.000 0.445 300 V N 0.780 120.631 119.914 -0.105 0.000 3.158 300 V HA 0.763 4.888 4.120 0.008 0.000 0.311 300 V C -2.876 172.850 176.094 -0.614 0.000 1.181 300 V CA -3.418 58.504 62.300 -0.630 0.000 1.054 300 V CB 1.980 33.612 31.823 -0.318 0.000 1.085 300 V HN 0.287 nan 8.190 nan 0.000 0.446 301 P HA 0.088 nan 4.420 nan 0.000 0.263 301 P C -0.566 176.602 177.300 -0.221 0.000 1.175 301 P CA 0.556 63.397 63.100 -0.433 0.000 0.761 301 P CB 0.451 31.823 31.700 -0.547 0.000 0.794 302 V N 5.358 125.218 119.914 -0.090 0.000 2.532 302 V HA 0.202 4.327 4.120 0.008 0.000 0.295 302 V C -0.206 175.863 176.094 -0.042 0.000 1.041 302 V CA -0.776 61.490 62.300 -0.055 0.000 0.926 302 V CB 1.797 33.616 31.823 -0.007 0.000 0.992 302 V HN 0.141 nan 8.190 nan 0.000 0.457 303 V N 7.636 127.527 119.914 -0.038 0.000 2.364 303 V HA 0.176 4.301 4.120 0.008 0.000 0.252 303 V C 0.758 176.855 176.094 0.005 0.000 1.075 303 V CA 0.384 62.676 62.300 -0.013 0.000 1.033 303 V CB 0.231 32.039 31.823 -0.024 0.000 1.116 303 V HN 1.070 nan 8.190 nan 0.000 0.488 304 D N 2.787 123.205 120.400 0.030 0.000 2.379 304 D HA 0.120 4.765 4.640 0.008 0.000 0.208 304 D C 1.450 177.771 176.300 0.036 0.000 1.065 304 D CA 0.576 54.597 54.000 0.035 0.000 0.848 304 D CB 0.374 41.207 40.800 0.055 0.000 0.949 304 D HN 0.688 nan 8.370 nan 0.000 0.509 305 G N 1.015 109.838 108.800 0.037 0.000 2.221 305 G HA2 -0.299 3.666 3.960 0.008 0.000 0.265 305 G HA3 -0.299 3.666 3.960 0.008 0.000 0.265 305 G C 0.169 175.092 174.900 0.038 0.000 1.041 305 G CA 0.861 45.979 45.100 0.030 0.000 0.807 305 G HN 0.571 nan 8.290 nan 0.000 0.502 306 D N -1.995 118.443 120.400 0.064 0.000 2.797 306 D HA 0.146 4.791 4.640 0.008 0.000 0.151 306 D C 1.563 177.915 176.300 0.086 0.000 1.472 306 D CA 0.446 54.486 54.000 0.067 0.000 1.553 306 D CB -0.764 40.083 40.800 0.078 0.000 1.590 306 D HN 0.082 nan 8.370 nan 0.000 0.217 307 F N 1.437 121.394 119.950 0.012 0.000 2.069 307 F HA 0.218 4.750 4.527 0.008 0.000 0.298 307 F C 0.672 176.473 175.800 0.001 0.000 1.113 307 F CA 1.252 59.258 58.000 0.011 0.000 1.214 307 F CB 0.123 39.127 39.000 0.006 0.000 0.978 307 F HN 0.002 nan 8.300 nan 0.000 0.474 308 L N 0.676 122.071 121.223 0.286 0.000 2.276 308 L HA 0.189 4.534 4.340 0.008 0.000 0.286 308 L C 1.387 178.304 176.870 0.078 0.000 1.024 308 L CA -0.144 54.792 54.840 0.161 0.000 0.826 308 L CB 1.421 43.554 42.059 0.122 0.000 1.211 308 L HN 0.098 nan 8.230 nan 0.000 0.422 309 S N 1.012 116.741 115.700 0.047 0.000 2.406 309 S HA -0.019 4.456 4.470 0.008 0.000 0.228 309 S C 0.491 175.102 174.600 0.018 0.000 1.020 309 S CA 0.583 58.798 58.200 0.025 0.000 0.965 309 S CB 0.209 63.414 63.200 0.009 0.000 0.798 309 S HN 0.714 nan 8.310 nan 0.000 0.488 310 D N 0.162 120.574 120.400 0.020 0.000 2.677 310 D HA 0.300 4.945 4.640 0.008 0.000 0.298 310 D C -0.885 175.418 176.300 0.005 0.000 1.250 310 D CA 0.091 54.097 54.000 0.009 0.000 0.888 310 D CB 1.523 42.326 40.800 0.005 0.000 1.397 310 D HN 0.259 nan 8.370 nan 0.000 0.461 311 T N -0.571 113.979 114.554 -0.008 0.000 2.946 311 T HA 0.138 4.493 4.350 0.008 0.000 0.312 311 T C -1.772 172.918 174.700 -0.017 0.000 1.066 311 T CA -0.566 61.520 62.100 -0.023 0.000 1.138 311 T CB 0.820 69.669 68.868 -0.032 0.000 1.014 311 T HN 0.121 nan 8.240 nan 0.000 0.544 312 P HA -0.191 nan 4.420 nan 0.000 0.215 312 P C 1.586 178.875 177.300 -0.017 0.000 1.163 312 P CA 1.449 64.530 63.100 -0.031 0.000 0.894 312 P CB 0.002 31.651 31.700 -0.084 0.000 0.791 313 E N -0.508 119.669 120.200 -0.037 0.000 2.113 313 E HA -0.328 4.027 4.350 0.008 0.000 0.210 313 E C 1.855 178.457 176.600 0.004 0.000 1.040 313 E CA 1.978 58.365 56.400 -0.022 0.000 0.847 313 E CB -0.609 29.070 29.700 -0.035 0.000 0.755 313 E HN 0.114 nan 8.360 nan 0.000 0.459 314 A N 0.841 123.662 122.820 0.002 0.000 1.873 314 A HA -0.130 4.195 4.320 0.008 0.000 0.215 314 A C 2.304 179.905 177.584 0.028 0.000 1.186 314 A CA 1.382 53.425 52.037 0.010 0.000 0.616 314 A CB -0.645 18.355 19.000 0.001 0.000 0.823 314 A HN 0.320 nan 8.150 nan 0.000 0.442 315 L N -0.032 121.216 121.223 0.042 0.000 2.141 315 L HA -0.140 4.205 4.340 0.008 0.000 0.209 315 L C 2.598 179.560 176.870 0.153 0.000 1.094 315 L CA 1.447 56.333 54.840 0.076 0.000 0.763 315 L CB -0.780 41.331 42.059 0.087 0.000 0.908 315 L HN 0.687 nan 8.230 nan 0.000 0.437 316 I N -2.176 118.486 120.570 0.153 0.000 2.233 316 I HA -0.159 4.016 4.170 0.008 0.000 0.243 316 I C 2.135 178.367 176.117 0.192 0.000 1.093 316 I CA 1.430 62.871 61.300 0.234 0.000 1.380 316 I CB -0.501 37.569 38.000 0.116 0.000 1.067 316 I HN 0.111 nan 8.210 nan 0.000 0.413 317 N N 1.190 119.949 118.700 0.097 0.000 2.205 317 N HA -0.161 4.584 4.740 0.008 0.000 0.186 317 N C 1.784 177.318 175.510 0.040 0.000 1.015 317 N CA 2.226 55.315 53.050 0.065 0.000 0.862 317 N CB -0.588 37.920 38.487 0.035 0.000 0.986 317 N HN 0.747 nan 8.380 nan 0.000 0.429 318 T N -3.939 110.627 114.554 0.019 0.000 3.040 318 T HA 0.362 4.717 4.350 0.008 0.000 0.266 318 T C 0.764 175.396 174.700 -0.112 0.000 1.005 318 T CA -0.412 61.669 62.100 -0.032 0.000 0.906 318 T CB 0.118 68.969 68.868 -0.027 0.000 1.082 318 T HN 0.066 nan 8.240 nan 0.000 0.531 319 G N 0.584 109.275 108.800 -0.182 0.000 2.476 319 G HA2 0.486 4.451 3.960 0.008 0.000 0.286 319 G HA3 0.486 4.451 3.960 0.008 0.000 0.286 319 G C -1.388 173.007 174.900 -0.842 0.000 1.177 319 G CA -0.607 44.166 45.100 -0.545 0.000 0.870 319 G HN 0.345 nan 8.290 nan 0.000 0.528 320 D N -0.260 119.635 120.400 -0.841 0.000 2.392 320 D HA 0.444 5.089 4.640 0.008 0.000 0.228 320 D C -0.660 175.260 176.300 -0.633 0.000 1.074 320 D CA -0.574 53.086 54.000 -0.567 0.000 0.838 320 D CB 0.501 41.138 40.800 -0.272 0.000 1.067 320 D HN 0.087 nan 8.370 nan 0.000 0.511 321 F N 2.861 122.818 119.950 0.013 0.000 2.879 321 F HA 0.251 4.783 4.527 0.008 0.000 0.354 321 F C 1.649 177.460 175.800 0.019 0.000 1.291 321 F CA -0.588 57.424 58.000 0.020 0.000 1.238 321 F CB 0.377 39.398 39.000 0.035 0.000 1.005 321 F HN 0.317 nan 8.300 nan 0.000 0.508 322 Q N 0.938 120.795 119.800 0.096 0.000 2.096 322 Q HA -0.214 4.131 4.340 0.008 0.000 0.208 322 Q C 1.747 177.796 176.000 0.081 0.000 0.993 322 Q CA 2.164 58.006 55.803 0.065 0.000 0.862 322 Q CB -0.144 28.606 28.738 0.021 0.000 0.915 322 Q HN 0.308 nan 8.270 nan 0.000 0.416 323 D N -0.964 119.488 120.400 0.086 0.000 2.219 323 D HA -0.081 4.564 4.640 0.008 0.000 0.205 323 D C -0.125 176.225 176.300 0.084 0.000 0.970 323 D CA 0.337 54.377 54.000 0.067 0.000 0.851 323 D CB 0.052 40.879 40.800 0.045 0.000 0.943 323 D HN 0.119 nan 8.370 nan 0.000 0.488 324 L N 1.396 122.695 121.223 0.126 0.000 2.276 324 L HA 0.185 4.530 4.340 0.008 0.000 0.286 324 L C -0.535 176.417 176.870 0.138 0.000 1.061 324 L CA -0.037 54.881 54.840 0.130 0.000 0.807 324 L CB 1.345 43.489 42.059 0.141 0.000 1.177 324 L HN -0.215 nan 8.230 nan 0.000 0.429 325 Q N 3.435 123.332 119.800 0.163 0.000 2.325 325 Q HA 0.690 5.035 4.340 0.008 0.000 0.262 325 Q C -1.263 175.002 176.000 0.442 0.000 0.968 325 Q CA -0.353 55.608 55.803 0.262 0.000 0.877 325 Q CB 2.325 31.180 28.738 0.196 0.000 1.253 325 Q HN 0.413 nan 8.270 nan 0.000 0.448 326 V N 2.947 123.076 119.914 0.359 0.000 2.638 326 V HA 0.462 4.587 4.120 0.008 0.000 0.306 326 V C -1.300 174.768 176.094 -0.044 0.000 1.052 326 V CA -0.913 61.502 62.300 0.192 0.000 0.885 326 V CB 1.842 33.698 31.823 0.055 0.000 0.999 326 V HN 0.593 nan 8.190 nan 0.000 0.424 327 L N 7.178 128.162 121.223 -0.397 0.000 2.307 327 L HA 0.911 5.257 4.340 0.008 0.000 0.284 327 L C -0.414 176.348 176.870 -0.181 0.000 1.023 327 L CA -0.152 54.378 54.840 -0.516 0.000 0.810 327 L CB 1.652 42.961 42.059 -1.250 0.000 1.231 327 L HN 0.623 nan 8.230 nan 0.000 0.423 328 V N 2.036 121.910 119.914 -0.067 0.000 3.007 328 V HA 1.129 5.254 4.120 0.008 0.000 0.311 328 V C -0.268 175.643 176.094 -0.305 0.000 1.120 328 V CA 0.220 62.467 62.300 -0.089 0.000 0.980 328 V CB 1.222 32.962 31.823 -0.137 0.000 1.033 328 V HN 1.147 nan 8.190 nan 0.000 0.429 329 G N 0.725 109.193 108.800 -0.553 0.000 2.430 329 G HA2 0.776 4.741 3.960 0.008 0.000 0.300 329 G HA3 0.776 4.741 3.960 0.008 0.000 0.300 329 G C -1.174 173.411 174.900 -0.526 0.000 1.330 329 G CA 0.117 44.539 45.100 -1.130 0.000 0.813 329 G HN 2.107 nan 8.290 nan 0.000 0.487 330 V N -2.442 117.292 119.914 -0.300 0.000 3.160 330 V HA 0.929 5.054 4.120 0.008 0.000 0.310 330 V C 0.339 176.614 176.094 0.302 0.000 1.181 330 V CA -0.332 62.009 62.300 0.069 0.000 1.047 330 V CB 1.113 32.958 31.823 0.036 0.000 1.068 330 V HN 1.893 nan 8.190 nan 0.000 0.441 331 V N -0.858 119.261 119.914 0.341 0.000 3.109 331 V HA 0.570 4.695 4.120 0.008 0.000 0.317 331 V C 1.402 177.692 176.094 0.327 0.000 1.074 331 V CA 0.036 62.592 62.300 0.427 0.000 1.033 331 V CB 1.146 33.218 31.823 0.415 0.000 1.111 331 V HN 1.067 nan 8.190 nan 0.000 0.458 332 K N -0.174 120.419 120.400 0.322 0.000 2.032 332 K HA -0.084 4.241 4.320 0.008 0.000 0.209 332 K C 0.380 177.109 176.600 0.215 0.000 1.048 332 K CA 2.015 58.443 56.287 0.235 0.000 0.927 332 K CB -0.019 32.597 32.500 0.194 0.000 0.712 332 K HN 0.909 nan 8.250 nan 0.000 0.441 333 D N 1.279 121.814 120.400 0.225 0.000 2.483 333 D HA 0.038 4.683 4.640 0.008 0.000 0.281 333 D C 0.095 176.541 176.300 0.243 0.000 1.174 333 D CA -0.066 54.058 54.000 0.207 0.000 0.938 333 D CB 1.413 42.313 40.800 0.166 0.000 1.002 333 D HN 0.157 nan 8.370 nan 0.000 0.501 334 E N 0.698 121.051 120.200 0.255 0.000 2.204 334 E HA -0.084 4.271 4.350 0.008 0.000 0.194 334 E C 1.915 178.746 176.600 0.384 0.000 0.989 334 E CA 0.477 57.067 56.400 0.317 0.000 0.824 334 E CB 0.245 30.088 29.700 0.239 0.000 0.756 334 E HN 0.469 nan 8.360 nan 0.000 0.477 335 G N 0.957 109.936 108.800 0.298 0.000 2.744 335 G HA2 -0.137 3.828 3.960 0.008 0.000 0.211 335 G HA3 -0.137 3.828 3.960 0.008 0.000 0.211 335 G C 1.697 176.799 174.900 0.337 0.000 1.146 335 G CA 0.666 45.969 45.100 0.339 0.000 0.787 335 G HN 0.338 nan 8.290 nan 0.000 0.534 336 S N -0.112 115.720 115.700 0.221 0.000 2.382 336 S HA -0.209 4.266 4.470 0.008 0.000 0.228 336 S C 2.061 176.656 174.600 -0.007 0.000 1.027 336 S CA 1.136 59.414 58.200 0.130 0.000 0.991 336 S CB -0.768 62.432 63.200 0.000 0.000 0.823 336 S HN 0.420 nan 8.310 nan 0.000 0.469 337 Y N 1.526 121.657 120.300 -0.282 0.000 2.114 337 Y HA -0.186 4.369 4.550 0.008 0.000 0.282 337 Y C 1.830 177.497 175.900 -0.388 0.000 1.165 337 Y CA 2.118 59.855 58.100 -0.606 0.000 1.148 337 Y CB -0.367 37.462 38.460 -1.051 0.000 0.972 337 Y HN 0.312 nan 8.280 nan 0.000 0.504 338 F N -1.153 118.910 119.950 0.188 0.000 2.558 338 F HA -0.073 4.458 4.527 0.008 0.000 0.298 338 F C 1.868 177.749 175.800 0.136 0.000 1.119 338 F CA 0.442 58.528 58.000 0.143 0.000 1.451 338 F CB -0.469 38.480 39.000 -0.085 0.000 1.091 338 F HN 0.001 nan 8.300 nan 0.000 0.563 339 L N 0.144 121.483 121.223 0.194 0.000 2.093 339 L HA -0.143 4.202 4.340 0.008 0.000 0.208 339 L C 2.403 179.348 176.870 0.126 0.000 1.085 339 L CA 1.076 55.899 54.840 -0.028 0.000 0.755 339 L CB -0.762 41.105 42.059 -0.320 0.000 0.904 339 L HN 0.196 nan 8.230 nan 0.000 0.435 340 V N -4.879 115.163 119.914 0.213 0.000 3.510 340 V HA -0.173 3.952 4.120 0.008 0.000 0.270 340 V C 1.129 177.227 176.094 0.007 0.000 1.201 340 V CA 0.846 63.260 62.300 0.190 0.000 1.166 340 V CB -1.185 30.755 31.823 0.194 0.000 0.825 340 V HN 0.319 nan 8.190 nan 0.000 0.484 341 Y N 1.538 121.912 120.300 0.122 0.000 2.708 341 Y HA 0.661 5.216 4.550 0.008 0.000 0.287 341 Y C 1.538 177.445 175.900 0.011 0.000 1.145 341 Y CA 0.238 58.372 58.100 0.056 0.000 1.249 341 Y CB 0.759 39.249 38.460 0.049 0.000 1.152 341 Y HN 0.404 nan 8.280 nan 0.000 0.532 342 G N -0.639 108.244 108.800 0.138 0.000 2.731 342 G HA2 -0.093 3.872 3.960 0.008 0.000 0.219 342 G HA3 -0.093 3.872 3.960 0.008 0.000 0.219 342 G C -0.957 174.000 174.900 0.095 0.000 0.989 342 G CA -0.572 44.582 45.100 0.089 0.000 0.871 342 G HN -0.008 nan 8.290 nan 0.000 0.591 343 V N 2.006 122.000 119.914 0.134 0.000 2.328 343 V HA 0.443 4.568 4.120 0.008 0.000 0.278 343 V C -1.926 174.348 176.094 0.300 0.000 1.021 343 V CA -1.822 60.585 62.300 0.178 0.000 0.838 343 V CB 1.536 33.408 31.823 0.080 0.000 0.999 343 V HN 0.092 nan 8.190 nan 0.000 0.447 344 P HA 0.277 nan 4.420 nan 0.000 0.265 344 P C 1.034 178.416 177.300 0.137 0.000 1.193 344 P CA 1.278 64.466 63.100 0.146 0.000 0.765 344 P CB 0.758 32.510 31.700 0.086 0.000 0.823 345 G N 1.610 110.422 108.800 0.021 0.000 2.313 345 G HA2 -0.207 3.758 3.960 0.008 0.000 0.215 345 G HA3 -0.207 3.758 3.960 0.008 0.000 0.215 345 G C -0.176 174.525 174.900 -0.332 0.000 1.023 345 G CA -0.591 44.386 45.100 -0.205 0.000 0.626 345 G HN 0.399 nan 8.290 nan 0.000 0.503 346 F N 2.085 122.034 119.950 -0.003 0.000 2.404 346 F HA 0.756 5.288 4.527 0.008 0.000 0.345 346 F C 0.726 176.608 175.800 0.137 0.000 1.110 346 F CA 0.114 58.135 58.000 0.035 0.000 1.130 346 F CB 2.027 41.096 39.000 0.116 0.000 1.129 346 F HN 0.276 nan 8.300 nan 0.000 0.500 347 S N 1.865 117.783 115.700 0.365 0.000 2.565 347 S HA 0.301 4.776 4.470 0.008 0.000 0.269 347 S C 0.269 175.120 174.600 0.419 0.000 1.153 347 S CA -0.848 57.558 58.200 0.344 0.000 0.835 347 S CB 1.488 64.801 63.200 0.189 0.000 1.122 347 S HN 0.759 nan 8.310 nan 0.000 0.462 348 K N 0.808 121.337 120.400 0.214 0.000 2.366 348 K HA 0.103 4.428 4.320 0.008 0.000 0.198 348 K C 0.143 176.716 176.600 -0.044 0.000 1.044 348 K CA 1.180 57.474 56.287 0.012 0.000 0.973 348 K CB -0.169 32.017 32.500 -0.524 0.000 0.767 348 K HN 0.508 nan 8.250 nan 0.000 0.475 349 D N 0.909 121.288 120.400 -0.035 0.000 2.354 349 D HA -0.008 4.637 4.640 0.008 0.000 0.209 349 D C -0.016 176.291 176.300 0.012 0.000 1.015 349 D CA 0.365 54.328 54.000 -0.062 0.000 0.867 349 D CB 0.096 40.846 40.800 -0.085 0.000 0.933 349 D HN 0.481 nan 8.370 nan 0.000 0.520 350 N N -0.769 117.976 118.700 0.076 0.000 3.167 350 N HA 0.092 4.837 4.740 0.008 0.000 0.323 350 N C 0.489 176.051 175.510 0.087 0.000 1.478 350 N CA -0.504 52.573 53.050 0.046 0.000 0.753 350 N CB 0.831 39.305 38.487 -0.022 0.000 1.721 350 N HN -0.417 nan 8.380 nan 0.000 0.618 351 E N -0.557 119.612 120.200 -0.052 0.000 2.435 351 E HA 0.038 4.393 4.350 0.008 0.000 0.195 351 E C -0.373 175.836 176.600 -0.652 0.000 1.029 351 E CA 0.480 56.767 56.400 -0.188 0.000 0.865 351 E CB -0.511 29.117 29.700 -0.119 0.000 0.833 351 E HN 0.606 nan 8.360 nan 0.000 0.510 352 S N 0.242 115.614 115.700 -0.546 0.000 3.641 352 S HA -0.191 4.284 4.470 0.008 0.000 0.346 352 S C 0.387 174.538 174.600 -0.749 0.000 1.074 352 S CA 0.173 57.919 58.200 -0.758 0.000 1.026 352 S CB -2.228 60.308 63.200 -1.107 0.000 0.908 352 S HN 0.282 nan 8.310 nan 0.000 0.479 353 L N 1.414 122.352 121.223 -0.474 0.000 2.462 353 L HA 0.416 4.761 4.340 0.008 0.000 0.272 353 L C 0.720 177.373 176.870 -0.361 0.000 1.166 353 L CA 0.058 54.683 54.840 -0.358 0.000 0.880 353 L CB 0.031 41.953 42.059 -0.227 0.000 1.142 353 L HN 0.458 nan 8.230 nan 0.000 0.473 354 I N -0.200 120.170 120.570 -0.334 0.000 2.957 354 I HA 0.686 4.861 4.170 0.008 0.000 0.310 354 I C 0.317 176.352 176.117 -0.138 0.000 1.063 354 I CA -0.690 60.445 61.300 -0.275 0.000 1.033 354 I CB 2.026 39.829 38.000 -0.329 0.000 1.230 354 I HN 0.557 nan 8.210 nan 0.000 0.447 355 S N 1.877 117.530 115.700 -0.078 0.000 2.693 355 S HA 0.412 4.887 4.470 0.008 0.000 0.276 355 S C 0.915 175.532 174.600 0.028 0.000 1.192 355 S CA -0.484 57.698 58.200 -0.030 0.000 0.994 355 S CB 1.556 64.746 63.200 -0.018 0.000 1.012 355 S HN 0.881 nan 8.310 nan 0.000 0.550 356 R N 0.490 121.011 120.500 0.034 0.000 2.120 356 R HA -0.054 4.291 4.340 0.008 0.000 0.234 356 R C 2.222 178.612 176.300 0.151 0.000 1.123 356 R CA 1.492 57.647 56.100 0.091 0.000 0.975 356 R CB -1.028 29.304 30.300 0.053 0.000 0.866 356 R HN 0.826 nan 8.270 nan 0.000 0.446 357 A N 0.679 123.553 122.820 0.091 0.000 1.877 357 A HA -0.199 4.126 4.320 0.008 0.000 0.216 357 A C 2.017 179.656 177.584 0.091 0.000 1.186 357 A CA 1.467 53.552 52.037 0.080 0.000 0.620 357 A CB -0.470 18.558 19.000 0.048 0.000 0.822 357 A HN 0.509 nan 8.150 nan 0.000 0.443 358 Q N -1.803 118.050 119.800 0.090 0.000 2.170 358 Q HA -0.140 4.205 4.340 0.008 0.000 0.203 358 Q C 1.893 178.006 176.000 0.189 0.000 0.976 358 Q CA 1.492 57.357 55.803 0.104 0.000 0.858 358 Q CB -0.310 28.455 28.738 0.046 0.000 0.907 358 Q HN 0.789 nan 8.270 nan 0.000 0.433 359 F N 1.136 121.118 119.950 0.053 0.000 2.113 359 F HA -0.174 4.358 4.527 0.008 0.000 0.297 359 F C 1.823 177.660 175.800 0.063 0.000 1.103 359 F CA 0.990 59.033 58.000 0.071 0.000 1.248 359 F CB 0.042 39.065 39.000 0.038 0.000 0.999 359 F HN -0.055 nan 8.300 nan 0.000 0.475 360 L N 0.127 121.357 121.223 0.011 0.000 2.079 360 L HA -0.232 4.113 4.340 0.008 0.000 0.210 360 L C 2.760 179.575 176.870 -0.091 0.000 1.081 360 L CA 1.207 55.993 54.840 -0.089 0.000 0.752 360 L CB -1.007 41.076 42.059 0.041 0.000 0.896 360 L HN 0.282 nan 8.230 nan 0.000 0.433 361 A N -0.051 122.756 122.820 -0.022 0.000 1.929 361 A HA -0.048 4.277 4.320 0.008 0.000 0.216 361 A C 2.409 179.982 177.584 -0.018 0.000 1.176 361 A CA 1.401 53.436 52.037 -0.004 0.000 0.628 361 A CB -1.145 17.874 19.000 0.032 0.000 0.816 361 A HN 0.419 nan 8.150 nan 0.000 0.444 362 G N -0.291 108.501 108.800 -0.013 0.000 2.446 362 G HA2 -0.158 3.807 3.960 0.008 0.000 0.217 362 G HA3 -0.158 3.807 3.960 0.008 0.000 0.217 362 G C 1.491 176.330 174.900 -0.102 0.000 1.168 362 G CA 1.300 46.395 45.100 -0.008 0.000 0.771 362 G HN 0.311 nan 8.290 nan 0.000 0.551 363 V N 0.900 120.671 119.914 -0.237 0.000 2.469 363 V HA -0.146 3.979 4.120 0.008 0.000 0.251 363 V C 2.981 179.010 176.094 -0.108 0.000 1.064 363 V CA 1.665 63.822 62.300 -0.237 0.000 1.066 363 V CB -0.419 31.168 31.823 -0.394 0.000 0.667 363 V HN 0.201 nan 8.190 nan 0.000 0.461 364 R N -0.324 120.127 120.500 -0.081 0.000 2.115 364 R HA 0.066 4.412 4.340 0.008 0.000 0.230 364 R C 2.018 178.305 176.300 -0.023 0.000 1.111 364 R CA 1.269 57.347 56.100 -0.036 0.000 0.976 364 R CB -0.689 29.598 30.300 -0.022 0.000 0.870 364 R HN 0.480 nan 8.270 nan 0.000 0.445 365 I N -0.725 119.830 120.570 -0.024 0.000 2.480 365 I HA -0.037 4.138 4.170 0.008 0.000 0.251 365 I C 2.189 178.296 176.117 -0.017 0.000 1.124 365 I CA 1.244 62.537 61.300 -0.012 0.000 1.444 365 I CB -0.323 37.678 38.000 0.002 0.000 1.098 365 I HN 0.168 nan 8.210 nan 0.000 0.428 366 G N 0.200 108.982 108.800 -0.030 0.000 2.511 366 G HA2 -0.005 3.960 3.960 0.008 0.000 0.217 366 G HA3 -0.005 3.960 3.960 0.008 0.000 0.217 366 G C 0.748 175.647 174.900 -0.001 0.000 1.133 366 G CA 0.371 45.455 45.100 -0.027 0.000 0.792 366 G HN 0.231 nan 8.290 nan 0.000 0.539 367 V N 1.818 121.725 119.914 -0.012 0.000 2.361 367 V HA 0.218 4.343 4.120 0.008 0.000 0.252 367 V C -1.486 174.612 176.094 0.006 0.000 0.986 367 V CA -1.130 61.160 62.300 -0.016 0.000 1.033 367 V CB 1.522 33.313 31.823 -0.053 0.000 1.282 367 V HN 0.039 nan 8.190 nan 0.000 0.514 368 P HA -0.141 nan 4.420 nan 0.000 0.221 368 P C 0.963 178.270 177.300 0.012 0.000 1.145 368 P CA 1.060 64.165 63.100 0.009 0.000 0.795 368 P CB 0.536 32.237 31.700 0.002 0.000 0.775 369 Q N -0.682 119.134 119.800 0.027 0.000 2.280 369 Q HA 0.316 4.662 4.340 0.008 0.000 0.202 369 Q C 0.461 176.467 176.000 0.009 0.000 0.903 369 Q CA -0.168 55.647 55.803 0.020 0.000 0.948 369 Q CB -0.034 28.725 28.738 0.035 0.000 1.058 369 Q HN 0.156 nan 8.270 nan 0.000 0.493 370 A N 0.410 123.234 122.820 0.006 0.000 2.309 370 A HA 0.564 4.889 4.320 0.008 0.000 0.298 370 A C 0.423 178.007 177.584 -0.000 0.000 1.165 370 A CA -0.590 51.447 52.037 -0.000 0.000 0.821 370 A CB 0.520 19.524 19.000 0.006 0.000 1.102 370 A HN 0.350 nan 8.150 nan 0.000 0.500 371 S N 1.795 117.492 115.700 -0.005 0.000 2.650 371 S HA 0.052 4.527 4.470 0.008 0.000 0.251 371 S C 0.396 175.002 174.600 0.010 0.000 1.325 371 S CA 0.561 58.760 58.200 -0.001 0.000 0.967 371 S CB 0.106 63.301 63.200 -0.008 0.000 1.000 371 S HN 0.621 nan 8.310 nan 0.000 0.584 372 D N -0.110 120.299 120.400 0.015 0.000 2.117 372 D HA -0.013 4.632 4.640 0.008 0.000 0.198 372 D C 1.774 178.097 176.300 0.038 0.000 0.982 372 D CA 0.639 54.654 54.000 0.025 0.000 0.828 372 D CB -0.486 40.329 40.800 0.024 0.000 0.967 372 D HN 0.341 nan 8.370 nan 0.000 0.464 373 L N 0.873 122.118 121.223 0.037 0.000 2.017 373 L HA -0.031 4.314 4.340 0.008 0.000 0.208 373 L C 2.086 179.003 176.870 0.078 0.000 1.073 373 L CA 1.646 56.520 54.840 0.056 0.000 0.745 373 L CB -0.957 41.128 42.059 0.044 0.000 0.894 373 L HN -0.010 nan 8.230 nan 0.000 0.432 374 A N -0.677 122.172 122.820 0.048 0.000 1.902 374 A HA -0.126 4.199 4.320 0.008 0.000 0.217 374 A C 2.428 180.072 177.584 0.100 0.000 1.181 374 A CA 1.886 53.958 52.037 0.058 0.000 0.623 374 A CB -1.115 17.879 19.000 -0.009 0.000 0.818 374 A HN 0.547 nan 8.150 nan 0.000 0.443 375 A N -0.857 122.002 122.820 0.065 0.000 1.930 375 A HA -0.123 4.202 4.320 0.008 0.000 0.217 375 A C 2.000 179.633 177.584 0.081 0.000 1.175 375 A CA 1.561 53.631 52.037 0.055 0.000 0.627 375 A CB -0.414 18.599 19.000 0.021 0.000 0.815 375 A HN 0.464 nan 8.150 nan 0.000 0.443 376 E N -0.008 120.249 120.200 0.095 0.000 2.085 376 E HA -0.178 4.177 4.350 0.008 0.000 0.194 376 E C 2.343 179.038 176.600 0.157 0.000 0.994 376 E CA 1.252 57.725 56.400 0.122 0.000 0.801 376 E CB -0.368 29.398 29.700 0.109 0.000 0.743 376 E HN 0.552 nan 8.360 nan 0.000 0.453 377 A N 0.667 123.600 122.820 0.187 0.000 1.902 377 A HA -0.135 4.191 4.320 0.008 0.000 0.217 377 A C 2.576 180.224 177.584 0.106 0.000 1.181 377 A CA 1.446 53.620 52.037 0.230 0.000 0.623 377 A CB -0.619 18.672 19.000 0.485 0.000 0.818 377 A HN 0.143 nan 8.150 nan 0.000 0.443 378 V N -0.475 119.538 119.914 0.166 0.000 2.261 378 V HA -0.236 3.889 4.120 0.008 0.000 0.246 378 V C 2.547 178.791 176.094 0.251 0.000 1.047 378 V CA 2.014 64.392 62.300 0.130 0.000 1.015 378 V CB -0.941 30.976 31.823 0.157 0.000 0.642 378 V HN 0.353 nan 8.190 nan 0.000 0.446 379 V N -0.401 119.632 119.914 0.199 0.000 2.343 379 V HA -0.235 3.890 4.120 0.008 0.000 0.247 379 V C 2.424 178.733 176.094 0.359 0.000 1.051 379 V CA 1.631 64.112 62.300 0.302 0.000 1.036 379 V CB -0.489 31.457 31.823 0.206 0.000 0.654 379 V HN 0.392 nan 8.190 nan 0.000 0.451 380 L N -0.354 121.058 121.223 0.315 0.000 1.989 380 L HA -0.256 4.089 4.340 0.008 0.000 0.211 380 L C 2.508 179.567 176.870 0.314 0.000 1.071 380 L CA 2.765 57.848 54.840 0.405 0.000 0.749 380 L CB -1.344 40.859 42.059 0.242 0.000 0.890 380 L HN 0.513 nan 8.230 nan 0.000 0.431 381 H N -1.230 117.822 119.070 -0.030 0.000 2.353 381 H HA -0.218 4.342 4.556 0.007 0.000 0.300 381 H C 1.895 177.117 175.328 -0.177 0.000 1.090 381 H CA 2.084 57.981 56.048 -0.251 0.000 1.327 381 H CB -0.076 29.222 29.762 -0.773 0.000 1.383 381 H HN 0.273 nan 8.280 nan 0.000 0.508 382 Y N -0.282 120.070 120.300 0.087 0.000 2.510 382 Y HA 0.120 4.676 4.550 0.010 0.000 0.273 382 Y C 0.886 176.819 175.900 0.055 0.000 1.119 382 Y CA 0.434 58.617 58.100 0.139 0.000 1.286 382 Y CB 0.251 38.928 38.460 0.361 0.000 1.061 382 Y HN 0.039 nan 8.280 nan 0.000 0.542 383 T N 1.416 115.976 114.554 0.011 0.000 2.916 383 T HA -0.045 4.310 4.350 0.008 0.000 0.303 383 T C -0.298 174.091 174.700 -0.519 0.000 1.025 383 T CA -0.231 61.626 62.100 -0.404 0.000 1.142 383 T CB 0.272 68.496 68.868 -1.074 0.000 0.947 383 T HN 0.070 nan 8.240 nan 0.000 0.544 384 D N 1.949 122.042 120.400 -0.511 0.000 2.365 384 D HA 0.101 4.746 4.640 0.008 0.000 0.237 384 D C 0.032 176.058 176.300 -0.457 0.000 1.190 384 D CA -0.751 52.933 54.000 -0.526 0.000 0.867 384 D CB 0.363 40.667 40.800 -0.825 0.000 1.050 384 D HN 0.596 nan 8.370 nan 0.000 0.491 385 W N 3.051 124.271 121.300 -0.133 0.000 2.825 385 W HA 0.086 4.750 4.660 0.006 0.000 0.243 385 W C 1.782 178.203 176.519 -0.163 0.000 1.293 385 W CA -0.232 57.044 57.345 -0.114 0.000 1.403 385 W CB -0.037 29.369 29.460 -0.091 0.000 1.134 385 W HN 0.425 nan 8.180 nan 0.000 0.666 386 L N -1.133 120.027 121.223 -0.104 0.000 2.341 386 L HA -0.029 4.316 4.340 0.008 0.000 0.214 386 L C 0.033 176.499 176.870 -0.673 0.000 1.115 386 L CA 1.059 55.675 54.840 -0.373 0.000 0.820 386 L CB -0.269 41.517 42.059 -0.455 0.000 0.944 386 L HN 0.015 nan 8.230 nan 0.000 0.452 387 H N -2.533 116.463 119.070 -0.122 0.000 2.600 387 H HA 0.161 4.722 4.556 0.007 0.000 0.224 387 H C -2.053 173.170 175.328 -0.175 0.000 1.413 387 H CA -1.024 54.949 56.048 -0.126 0.000 1.401 387 H CB 0.312 29.995 29.762 -0.133 0.000 1.772 387 H HN -0.106 nan 8.280 nan 0.000 0.528 388 P HA -0.045 nan 4.420 nan 0.000 0.231 388 P C 0.998 178.217 177.300 -0.135 0.000 1.168 388 P CA 0.776 63.740 63.100 -0.226 0.000 0.779 388 P CB 0.697 32.246 31.700 -0.252 0.000 0.844 389 E N -0.273 119.895 120.200 -0.053 0.000 2.481 389 E HA 0.031 4.386 4.350 0.008 0.000 0.198 389 E C -0.141 176.438 176.600 -0.035 0.000 1.027 389 E CA 0.118 56.497 56.400 -0.035 0.000 0.900 389 E CB -0.185 29.511 29.700 -0.008 0.000 0.993 389 E HN 0.293 nan 8.360 nan 0.000 0.482 390 D N 2.130 122.515 120.400 -0.025 0.000 2.338 390 D HA 0.018 4.663 4.640 0.008 0.000 0.255 390 D C -1.298 174.971 176.300 -0.053 0.000 1.237 390 D CA -1.724 52.261 54.000 -0.025 0.000 0.883 390 D CB 1.330 42.124 40.800 -0.010 0.000 1.087 390 D HN -0.148 nan 8.370 nan 0.000 0.485 391 P HA -0.142 nan 4.420 nan 0.000 0.217 391 P C 1.144 178.368 177.300 -0.126 0.000 1.150 391 P CA 0.998 64.030 63.100 -0.113 0.000 0.832 391 P CB 0.195 31.825 31.700 -0.117 0.000 0.787 392 T N -0.959 113.540 114.554 -0.092 0.000 2.777 392 T HA -0.170 4.186 4.350 0.008 0.000 0.266 392 T C 1.845 176.514 174.700 -0.052 0.000 1.040 392 T CA 1.712 63.765 62.100 -0.078 0.000 1.141 392 T CB -1.059 67.779 68.868 -0.050 0.000 0.868 392 T HN 0.301 nan 8.240 nan 0.000 0.444 393 H N 0.836 119.840 119.070 -0.110 0.000 2.387 393 H HA 0.106 4.667 4.556 0.008 0.000 0.299 393 H C 1.967 177.209 175.328 -0.143 0.000 1.090 393 H CA 1.213 57.198 56.048 -0.105 0.000 1.332 393 H CB -0.473 29.216 29.762 -0.123 0.000 1.386 393 H HN 0.253 nan 8.280 nan 0.000 0.516 394 L N -0.033 121.000 121.223 -0.317 0.000 2.056 394 L HA -0.127 4.218 4.340 0.008 0.000 0.207 394 L C 2.904 179.627 176.870 -0.245 0.000 1.078 394 L CA 1.291 55.845 54.840 -0.477 0.000 0.749 394 L CB -0.476 41.377 42.059 -0.343 0.000 0.901 394 L HN 0.275 nan 8.230 nan 0.000 0.433 395 R N 0.670 121.094 120.500 -0.128 0.000 2.096 395 R HA -0.213 4.132 4.340 0.008 0.000 0.240 395 R C 1.576 177.944 176.300 0.113 0.000 1.139 395 R CA 2.301 58.417 56.100 0.026 0.000 0.952 395 R CB -0.476 29.717 30.300 -0.179 0.000 0.854 395 R HN 0.353 nan 8.270 nan 0.000 0.436 396 D N 0.065 120.459 120.400 -0.010 0.000 2.269 396 D HA -0.039 4.606 4.640 0.008 0.000 0.208 396 D C 1.639 177.942 176.300 0.005 0.000 0.963 396 D CA 1.139 55.169 54.000 0.050 0.000 0.864 396 D CB -0.064 40.763 40.800 0.045 0.000 0.936 396 D HN 0.384 nan 8.370 nan 0.000 0.505 397 A N 0.710 123.419 122.820 -0.185 0.000 1.872 397 A HA -0.118 4.207 4.320 0.008 0.000 0.214 397 A C 2.112 179.796 177.584 0.166 0.000 1.187 397 A CA 1.170 53.160 52.037 -0.079 0.000 0.614 397 A CB -0.439 18.314 19.000 -0.412 0.000 0.826 397 A HN 0.107 nan 8.150 nan 0.000 0.442 398 M N 0.346 120.115 119.600 0.282 0.000 2.106 398 M HA -0.142 4.343 4.480 0.008 0.000 0.259 398 M C 2.306 178.656 176.300 0.083 0.000 1.068 398 M CA 2.256 57.732 55.300 0.293 0.000 1.100 398 M CB -0.709 32.110 32.600 0.364 0.000 1.351 398 M HN 0.438 nan 8.290 nan 0.000 0.404 399 S N -0.472 115.295 115.700 0.111 0.000 2.355 399 S HA -0.072 4.403 4.470 0.008 0.000 0.222 399 S C 2.078 176.744 174.600 0.110 0.000 1.031 399 S CA 1.584 59.857 58.200 0.123 0.000 0.993 399 S CB -0.680 62.656 63.200 0.226 0.000 0.859 399 S HN 0.627 nan 8.310 nan 0.000 0.453 400 A N 0.992 123.892 122.820 0.133 0.000 1.908 400 A HA -0.044 4.281 4.320 0.008 0.000 0.218 400 A C 2.376 179.984 177.584 0.041 0.000 1.181 400 A CA 1.947 54.087 52.037 0.173 0.000 0.627 400 A CB -1.231 17.971 19.000 0.337 0.000 0.818 400 A HN 0.476 nan 8.150 nan 0.000 0.445 401 V N -0.596 119.201 119.914 -0.194 0.000 2.287 401 V HA -0.256 3.869 4.120 0.008 0.000 0.248 401 V C 2.575 178.552 176.094 -0.195 0.000 1.053 401 V CA 2.160 64.252 62.300 -0.346 0.000 1.027 401 V CB -0.731 30.897 31.823 -0.326 0.000 0.646 401 V HN 0.391 nan 8.190 nan 0.000 0.447 402 V N 0.530 120.374 119.914 -0.118 0.000 2.323 402 V HA -0.124 4.001 4.120 0.008 0.000 0.244 402 V C 2.624 178.598 176.094 -0.202 0.000 1.041 402 V CA 2.113 64.334 62.300 -0.131 0.000 1.025 402 V CB -1.268 30.544 31.823 -0.019 0.000 0.656 402 V HN 0.613 nan 8.190 nan 0.000 0.451 403 G N -0.490 108.273 108.800 -0.060 0.000 2.422 403 G HA2 -0.241 3.724 3.960 0.008 0.000 0.218 403 G HA3 -0.241 3.724 3.960 0.008 0.000 0.218 403 G C 1.239 176.070 174.900 -0.116 0.000 1.146 403 G CA 1.051 46.135 45.100 -0.026 0.000 0.769 403 G HN 0.501 nan 8.290 nan 0.000 0.547 404 D N -0.385 119.938 120.400 -0.128 0.000 2.103 404 D HA -0.055 4.590 4.640 0.008 0.000 0.199 404 D C 2.106 178.100 176.300 -0.509 0.000 0.978 404 D CA 1.094 54.989 54.000 -0.174 0.000 0.829 404 D CB -0.411 40.431 40.800 0.069 0.000 0.981 404 D HN 0.391 nan 8.370 nan 0.000 0.464 405 H N 0.814 119.314 119.070 -0.950 0.000 2.423 405 H HA 0.049 4.609 4.556 0.008 0.000 0.297 405 H C 1.394 176.319 175.328 -0.672 0.000 1.075 405 H CA 1.502 56.798 56.048 -1.253 0.000 1.342 405 H CB 0.137 29.066 29.762 -1.389 0.000 1.395 405 H HN -0.014 nan 8.280 nan 0.000 0.530 406 N N -0.972 117.288 118.700 -0.733 0.000 2.414 406 N HA 0.036 4.782 4.740 0.008 0.000 0.177 406 N C 1.081 176.373 175.510 -0.362 0.000 1.062 406 N CA 0.963 53.544 53.050 -0.783 0.000 0.890 406 N CB 1.269 38.706 38.487 -1.750 0.000 1.070 406 N HN 0.259 nan 8.380 nan 0.000 0.454 407 V N -0.435 119.308 119.914 -0.284 0.000 3.278 407 V HA 0.071 4.196 4.120 0.008 0.000 0.215 407 V C 2.141 178.191 176.094 -0.073 0.000 1.287 407 V CA 0.196 62.453 62.300 -0.071 0.000 1.302 407 V CB -0.076 31.772 31.823 0.042 0.000 1.228 407 V HN -0.187 nan 8.190 nan 0.000 0.523 408 V N 0.143 120.014 119.914 -0.071 0.000 2.287 408 V HA -0.294 3.831 4.120 0.008 0.000 0.248 408 V C 2.507 178.566 176.094 -0.058 0.000 1.053 408 V CA 2.637 64.909 62.300 -0.046 0.000 1.027 408 V CB -0.746 31.079 31.823 0.004 0.000 0.646 408 V HN 0.671 nan 8.190 nan 0.000 0.447 409 c N -0.488 118.074 118.600 -0.064 0.000 2.466 409 c HA 0.014 4.589 4.570 0.008 0.000 0.278 409 c C 0.590 174.651 174.090 -0.048 0.000 1.288 409 c CA 0.845 57.166 56.329 -0.015 0.000 1.722 409 c CB -1.831 40.711 42.510 0.053 0.000 2.017 409 c HN 0.455 nan 8.230 nan 0.000 0.488 410 P HA -0.096 nan 4.420 nan 0.000 0.216 410 P C 1.739 178.978 177.300 -0.102 0.000 1.153 410 P CA 1.434 64.464 63.100 -0.117 0.000 0.858 410 P CB -0.159 31.438 31.700 -0.172 0.000 0.789 411 V N -0.010 119.843 119.914 -0.101 0.000 2.343 411 V HA -0.260 3.865 4.120 0.008 0.000 0.247 411 V C 2.449 178.450 176.094 -0.155 0.000 1.051 411 V CA 2.271 64.496 62.300 -0.125 0.000 1.036 411 V CB -1.675 30.068 31.823 -0.133 0.000 0.654 411 V HN 0.106 nan 8.190 nan 0.000 0.451 412 A N -0.424 122.320 122.820 -0.127 0.000 1.902 412 A HA -0.322 4.003 4.320 0.008 0.000 0.217 412 A C 2.187 179.746 177.584 -0.041 0.000 1.181 412 A CA 2.270 54.242 52.037 -0.108 0.000 0.623 412 A CB -0.576 18.409 19.000 -0.026 0.000 0.818 412 A HN 0.588 nan 8.150 nan 0.000 0.443 413 Q N -0.615 119.174 119.800 -0.019 0.000 2.061 413 Q HA -0.177 4.168 4.340 0.008 0.000 0.204 413 Q C 1.883 177.877 176.000 -0.009 0.000 0.984 413 Q CA 1.995 57.801 55.803 0.005 0.000 0.846 413 Q CB -0.468 28.267 28.738 -0.004 0.000 0.902 413 Q HN 0.518 nan 8.270 nan 0.000 0.421 414 L N 0.180 121.370 121.223 -0.056 0.000 1.994 414 L HA -0.056 4.290 4.340 0.008 0.000 0.208 414 L C 2.195 179.025 176.870 -0.065 0.000 1.071 414 L CA 2.332 57.131 54.840 -0.069 0.000 0.745 414 L CB -1.164 40.832 42.059 -0.104 0.000 0.892 414 L HN 0.304 nan 8.230 nan 0.000 0.431 415 A N -0.428 122.318 122.820 -0.123 0.000 1.865 415 A HA -0.122 4.203 4.320 0.008 0.000 0.217 415 A C 2.374 180.017 177.584 0.099 0.000 1.191 415 A CA 1.829 53.773 52.037 -0.155 0.000 0.623 415 A CB -1.758 16.890 19.000 -0.587 0.000 0.826 415 A HN 0.550 nan 8.150 nan 0.000 0.444 416 G N -0.555 108.354 108.800 0.183 0.000 2.529 416 G HA2 -0.296 3.669 3.960 0.008 0.000 0.219 416 G HA3 -0.296 3.669 3.960 0.008 0.000 0.219 416 G C 1.691 176.695 174.900 0.174 0.000 1.177 416 G CA 1.151 46.421 45.100 0.285 0.000 0.773 416 G HN 0.414 nan 8.290 nan 0.000 0.573 417 R N -0.383 120.188 120.500 0.119 0.000 2.073 417 R HA 0.126 4.471 4.340 0.008 0.000 0.229 417 R C 2.585 178.983 176.300 0.163 0.000 1.120 417 R CA 0.355 56.529 56.100 0.123 0.000 0.967 417 R CB -1.306 29.059 30.300 0.107 0.000 0.862 417 R HN 0.335 nan 8.270 nan 0.000 0.436 418 L N 0.807 122.102 121.223 0.120 0.000 2.012 418 L HA -0.081 4.264 4.340 0.008 0.000 0.210 418 L C 2.392 179.360 176.870 0.164 0.000 1.073 418 L CA 2.049 56.958 54.840 0.115 0.000 0.748 418 L CB -1.194 40.827 42.059 -0.064 0.000 0.891 418 L HN 0.165 nan 8.230 nan 0.000 0.431 419 A N -0.968 121.942 122.820 0.151 0.000 1.908 419 A HA -0.156 4.169 4.320 0.008 0.000 0.218 419 A C 2.413 180.063 177.584 0.110 0.000 1.181 419 A CA 1.834 53.955 52.037 0.141 0.000 0.627 419 A CB -0.888 18.227 19.000 0.192 0.000 0.818 419 A HN 0.415 nan 8.150 nan 0.000 0.445 420 A N -1.345 121.544 122.820 0.115 0.000 2.014 420 A HA -0.042 4.283 4.320 0.008 0.000 0.218 420 A C 1.806 179.443 177.584 0.088 0.000 1.163 420 A CA 1.427 53.514 52.037 0.084 0.000 0.652 420 A CB -0.238 18.808 19.000 0.078 0.000 0.808 420 A HN 0.549 nan 8.150 nan 0.000 0.449 421 Q N -1.338 118.544 119.800 0.137 0.000 2.212 421 Q HA 0.389 4.734 4.340 0.008 0.000 0.213 421 Q C 0.801 176.880 176.000 0.131 0.000 0.874 421 Q CA 0.581 56.455 55.803 0.118 0.000 0.965 421 Q CB 0.375 29.182 28.738 0.116 0.000 1.074 421 Q HN 0.783 nan 8.270 nan 0.000 0.473 422 G N -0.950 107.924 108.800 0.124 0.000 2.159 422 G HA2 -0.225 3.740 3.960 0.008 0.000 0.227 422 G HA3 -0.225 3.740 3.960 0.008 0.000 0.227 422 G C 0.207 175.184 174.900 0.128 0.000 0.986 422 G CA -0.190 44.972 45.100 0.104 0.000 0.651 422 G HN 0.532 nan 8.290 nan 0.000 0.523 423 A N -0.231 122.686 122.820 0.162 0.000 2.322 423 A HA 0.795 5.120 4.320 0.008 0.000 0.269 423 A C 0.584 178.217 177.584 0.081 0.000 1.094 423 A CA 0.295 52.412 52.037 0.135 0.000 0.807 423 A CB 0.458 19.526 19.000 0.113 0.000 1.047 423 A HN 0.832 nan 8.150 nan 0.000 0.487 424 R N 1.340 121.885 120.500 0.075 0.000 2.196 424 R HA 0.497 4.842 4.340 0.008 0.000 0.340 424 R C -1.499 174.801 176.300 0.001 0.000 1.043 424 R CA -0.064 56.048 56.100 0.020 0.000 0.883 424 R CB 0.383 30.725 30.300 0.070 0.000 1.078 424 R HN 0.440 nan 8.270 nan 0.000 0.462 425 V N 5.960 125.810 119.914 -0.105 0.000 2.495 425 V HA 0.394 4.519 4.120 0.008 0.000 0.298 425 V C -0.915 175.021 176.094 -0.262 0.000 1.031 425 V CA -0.754 61.507 62.300 -0.066 0.000 0.871 425 V CB 1.272 33.134 31.823 0.064 0.000 0.988 425 V HN 0.642 nan 8.190 nan 0.000 0.432 426 Y N 2.200 122.463 120.300 -0.062 0.000 2.409 426 Y HA 0.802 5.357 4.550 0.008 0.000 0.339 426 Y C 0.348 176.337 175.900 0.148 0.000 1.033 426 Y CA -0.602 57.460 58.100 -0.063 0.000 1.094 426 Y CB 2.187 40.221 38.460 -0.711 0.000 1.210 426 Y HN 0.748 nan 8.280 nan 0.000 0.456 427 A N 2.919 126.147 122.820 0.679 0.000 2.422 427 A HA 0.791 5.116 4.320 0.008 0.000 0.302 427 A C -1.906 176.045 177.584 0.611 0.000 1.041 427 A CA -0.703 51.580 52.037 0.410 0.000 0.708 427 A CB 0.803 19.878 19.000 0.127 0.000 1.257 427 A HN 0.746 nan 8.150 nan 0.000 0.414 428 Y N 0.040 120.565 120.300 0.376 0.000 2.609 428 Y HA 0.821 5.375 4.550 0.006 0.000 0.342 428 Y C -0.958 175.093 175.900 0.252 0.000 1.058 428 Y CA -1.647 56.617 58.100 0.273 0.000 1.055 428 Y CB 1.455 40.063 38.460 0.248 0.000 1.292 428 Y HN 0.688 nan 8.280 nan 0.000 0.476 429 I N 3.197 124.046 120.570 0.464 0.000 2.436 429 I HA 0.442 4.617 4.170 0.008 0.000 0.289 429 I C -1.775 174.668 176.117 0.544 0.000 1.010 429 I CA -1.010 60.532 61.300 0.403 0.000 1.098 429 I CB 1.032 39.196 38.000 0.274 0.000 1.266 429 I HN 0.750 nan 8.210 nan 0.000 0.434 430 F N 7.363 127.605 119.950 0.488 0.000 2.411 430 F HA 0.385 4.917 4.527 0.009 0.000 0.350 430 F C 0.654 176.616 175.800 0.269 0.000 1.114 430 F CA 0.173 58.408 58.000 0.391 0.000 1.135 430 F CB 0.924 40.185 39.000 0.435 0.000 1.120 430 F HN 0.558 nan 8.300 nan 0.000 0.495 431 E N 2.834 122.913 120.200 -0.201 0.000 2.641 431 E HA -0.031 4.324 4.350 0.008 0.000 0.224 431 E C -0.799 175.718 176.600 -0.138 0.000 0.951 431 E CA -0.144 56.224 56.400 -0.053 0.000 1.102 431 E CB 0.346 30.025 29.700 -0.035 0.000 1.091 431 E HN 0.539 nan 8.360 nan 0.000 0.507 432 H N 1.791 120.559 119.070 -0.502 0.000 2.517 432 H HA 0.221 4.782 4.556 0.007 0.000 0.317 432 H C -0.252 175.081 175.328 0.009 0.000 1.080 432 H CA -0.513 55.308 56.048 -0.378 0.000 1.301 432 H CB 0.561 29.870 29.762 -0.756 0.000 1.425 432 H HN -0.122 nan 8.280 nan 0.000 0.471 433 R N 4.237 124.387 120.500 -0.583 0.000 2.297 433 R HA 0.564 4.909 4.340 0.008 0.000 0.308 433 R C -0.752 175.260 176.300 -0.479 0.000 1.029 433 R CA -0.686 55.236 56.100 -0.296 0.000 0.929 433 R CB 0.705 30.922 30.300 -0.138 0.000 1.046 433 R HN 0.728 nan 8.270 nan 0.000 0.461 434 A N 3.093 125.962 122.820 0.082 0.000 2.546 434 A HA 0.022 4.347 4.320 0.008 0.000 0.243 434 A C 1.400 179.095 177.584 0.185 0.000 1.063 434 A CA 0.451 52.729 52.037 0.401 0.000 0.757 434 A CB 0.333 19.667 19.000 0.556 0.000 0.991 434 A HN 1.044 nan 8.150 nan 0.000 0.503 435 S N 1.823 117.690 115.700 0.278 0.000 2.419 435 S HA -0.179 4.296 4.470 0.008 0.000 0.235 435 S C 1.429 176.051 174.600 0.036 0.000 1.019 435 S CA 1.936 60.221 58.200 0.142 0.000 0.982 435 S CB -0.820 62.492 63.200 0.187 0.000 0.789 435 S HN 1.314 nan 8.310 nan 0.000 0.490 436 T N -0.959 113.596 114.554 0.002 0.000 3.107 436 T HA 0.351 4.706 4.350 0.008 0.000 0.249 436 T C 0.398 175.040 174.700 -0.097 0.000 1.096 436 T CA -0.490 61.533 62.100 -0.129 0.000 1.012 436 T CB -0.511 68.157 68.868 -0.333 0.000 0.977 436 T HN 0.282 nan 8.240 nan 0.000 0.527 437 L N 3.683 124.880 121.223 -0.043 0.000 2.490 437 L HA 0.256 4.601 4.340 0.008 0.000 0.274 437 L C 1.695 178.488 176.870 -0.130 0.000 1.201 437 L CA 0.792 55.574 54.840 -0.096 0.000 0.869 437 L CB 0.934 42.933 42.059 -0.100 0.000 1.123 437 L HN 0.424 nan 8.230 nan 0.000 0.484 438 T N -0.620 113.805 114.554 -0.214 0.000 3.022 438 T HA 0.102 4.457 4.350 0.008 0.000 0.250 438 T C 0.414 175.038 174.700 -0.125 0.000 1.060 438 T CA -0.493 61.478 62.100 -0.215 0.000 1.013 438 T CB -0.267 68.382 68.868 -0.364 0.000 0.982 438 T HN 0.407 nan 8.240 nan 0.000 0.508 439 W N 2.967 124.215 121.300 -0.086 0.000 2.079 439 W HA 0.431 5.097 4.660 0.009 0.000 0.354 439 W C -2.274 174.113 176.519 -0.220 0.000 1.302 439 W CA -2.045 55.218 57.345 -0.137 0.000 1.281 439 W CB -0.156 29.112 29.460 -0.321 0.000 1.165 439 W HN 0.025 nan 8.180 nan 0.000 0.603 440 P HA 0.067 nan 4.420 nan 0.000 0.274 440 P C 0.464 177.678 177.300 -0.144 0.000 1.246 440 P CA -0.279 62.758 63.100 -0.104 0.000 0.795 440 P CB 0.615 32.245 31.700 -0.117 0.000 1.006 441 L N 0.346 121.554 121.223 -0.025 0.000 2.129 441 L HA -0.158 4.187 4.340 0.008 0.000 0.212 441 L C 2.324 179.223 176.870 0.049 0.000 1.087 441 L CA 1.568 56.416 54.840 0.012 0.000 0.757 441 L CB -0.990 41.103 42.059 0.057 0.000 0.896 441 L HN 0.623 nan 8.230 nan 0.000 0.434 442 W N -0.915 120.413 121.300 0.046 0.000 2.402 442 W HA -0.155 4.509 4.660 0.007 0.000 0.286 442 W C 1.855 178.414 176.519 0.066 0.000 1.221 442 W CA 0.670 58.048 57.345 0.055 0.000 1.257 442 W CB -0.934 28.561 29.460 0.059 0.000 1.120 442 W HN 0.161 nan 8.180 nan 0.000 0.551 443 M N 1.527 120.788 119.600 -0.564 0.000 2.549 443 M HA 0.069 4.554 4.480 0.008 0.000 0.260 443 M C 1.763 177.964 176.300 -0.164 0.000 1.076 443 M CA 1.703 56.663 55.300 -0.568 0.000 1.090 443 M CB -1.022 31.071 32.600 -0.845 0.000 1.418 443 M HN 0.246 nan 8.290 nan 0.000 0.486 444 G N 0.607 109.370 108.800 -0.061 0.000 2.556 444 G HA2 -0.291 3.674 3.960 0.008 0.000 0.283 444 G HA3 -0.291 3.674 3.960 0.008 0.000 0.283 444 G C -0.151 174.759 174.900 0.016 0.000 1.177 444 G CA -0.179 44.934 45.100 0.022 0.000 0.978 444 G HN 0.237 nan 8.290 nan 0.000 0.554 445 V N 4.554 124.524 119.914 0.094 0.000 2.270 445 V HA 0.455 4.580 4.120 0.008 0.000 0.263 445 V C -1.383 174.842 176.094 0.218 0.000 1.066 445 V CA -0.480 61.925 62.300 0.175 0.000 0.857 445 V CB 0.963 32.952 31.823 0.276 0.000 1.099 445 V HN 0.643 nan 8.190 nan 0.000 0.476 446 P HA 0.189 nan 4.420 nan 0.000 0.278 446 P C -0.469 177.099 177.300 0.447 0.000 1.266 446 P CA -0.321 62.919 63.100 0.233 0.000 0.807 446 P CB 0.639 32.333 31.700 -0.009 0.000 1.094 447 H N -0.391 118.837 119.070 0.263 0.000 2.732 447 H HA 0.253 4.814 4.556 0.008 0.000 0.351 447 H C 1.058 176.414 175.328 0.046 0.000 1.090 447 H CA 0.846 56.997 56.048 0.171 0.000 1.431 447 H CB -0.185 29.674 29.762 0.162 0.000 1.447 447 H HN 0.825 nan 8.280 nan 0.000 0.582 448 G N 3.317 111.879 108.800 -0.397 0.000 2.195 448 G HA2 -0.309 3.656 3.960 0.008 0.000 0.246 448 G HA3 -0.309 3.656 3.960 0.008 0.000 0.246 448 G C 0.376 175.163 174.900 -0.188 0.000 0.984 448 G CA 0.364 45.189 45.100 -0.458 0.000 0.633 448 G HN 0.636 nan 8.290 nan 0.000 0.525 449 Y N 1.440 121.834 120.300 0.157 0.000 2.470 449 Y HA 0.244 4.799 4.550 0.008 0.000 0.284 449 Y C 2.276 178.279 175.900 0.172 0.000 1.188 449 Y CA 0.938 59.188 58.100 0.250 0.000 1.269 449 Y CB 0.470 39.120 38.460 0.317 0.000 1.094 449 Y HN 0.484 nan 8.280 nan 0.000 0.518 450 E N -0.143 119.994 120.200 -0.105 0.000 2.415 450 E HA -0.022 4.333 4.350 0.008 0.000 0.197 450 E C 1.523 178.024 176.600 -0.165 0.000 1.007 450 E CA 0.499 56.530 56.400 -0.615 0.000 0.890 450 E CB -0.408 28.387 29.700 -1.509 0.000 0.891 450 E HN 0.525 nan 8.360 nan 0.000 0.496 451 I N 2.536 123.089 120.570 -0.028 0.000 2.142 451 I HA -0.303 3.872 4.170 0.008 0.000 0.240 451 I C 2.511 178.611 176.117 -0.027 0.000 1.078 451 I CA 2.086 63.404 61.300 0.030 0.000 1.343 451 I CB -0.445 37.626 38.000 0.118 0.000 1.046 451 I HN 0.158 nan 8.210 nan 0.000 0.405 452 E N 0.930 121.056 120.200 -0.123 0.000 2.219 452 E HA -0.246 4.109 4.350 0.008 0.000 0.198 452 E C 1.973 178.299 176.600 -0.457 0.000 0.998 452 E CA 1.518 57.739 56.400 -0.297 0.000 0.818 452 E CB -0.533 28.973 29.700 -0.324 0.000 0.741 452 E HN 0.442 nan 8.360 nan 0.000 0.477 453 F N 1.300 121.146 119.950 -0.173 0.000 2.118 453 F HA -0.048 4.485 4.527 0.011 0.000 0.293 453 F C 2.329 177.917 175.800 -0.355 0.000 1.102 453 F CA 0.533 58.373 58.000 -0.266 0.000 1.247 453 F CB -0.253 38.655 39.000 -0.154 0.000 1.017 453 F HN -0.056 nan 8.300 nan 0.000 0.475 454 I N -0.592 119.836 120.570 -0.237 0.000 2.248 454 I HA -0.316 3.859 4.170 0.008 0.000 0.248 454 I C 2.123 178.022 176.117 -0.363 0.000 1.107 454 I CA 1.767 62.761 61.300 -0.510 0.000 1.373 454 I CB -1.591 35.982 38.000 -0.712 0.000 1.055 454 I HN 0.098 nan 8.210 nan 0.000 0.418 455 F N 0.779 120.548 119.950 -0.302 0.000 2.780 455 F HA 0.245 4.777 4.527 0.008 0.000 0.299 455 F C 1.868 177.535 175.800 -0.221 0.000 1.146 455 F CA 0.802 58.669 58.000 -0.221 0.000 1.428 455 F CB -0.167 38.692 39.000 -0.236 0.000 1.115 455 F HN 0.294 nan 8.300 nan 0.000 0.583 456 G N 0.127 108.780 108.800 -0.245 0.000 2.149 456 G HA2 -0.294 3.671 3.960 0.008 0.000 0.235 456 G HA3 -0.294 3.671 3.960 0.008 0.000 0.235 456 G C 0.959 175.258 174.900 -1.003 0.000 1.018 456 G CA 0.318 45.140 45.100 -0.463 0.000 0.728 456 G HN 0.286 nan 8.290 nan 0.000 0.508 457 L N 0.531 121.230 121.223 -0.874 0.000 2.012 457 L HA 0.038 4.383 4.340 0.008 0.000 0.210 457 L C 0.558 176.927 176.870 -0.836 0.000 1.073 457 L CA 2.868 57.144 54.840 -0.940 0.000 0.748 457 L CB -1.079 40.691 42.059 -0.482 0.000 0.891 457 L HN 0.202 nan 8.230 nan 0.000 0.431 458 P HA -0.192 nan 4.420 nan 0.000 0.219 458 P C 1.695 178.788 177.300 -0.346 0.000 1.144 458 P CA 1.089 63.693 63.100 -0.827 0.000 0.806 458 P CB -0.031 31.132 31.700 -0.895 0.000 0.771 459 L N -1.365 119.593 121.223 -0.442 0.000 2.353 459 L HA -0.081 4.264 4.340 0.008 0.000 0.220 459 L C 1.047 177.844 176.870 -0.121 0.000 1.133 459 L CA 1.138 55.827 54.840 -0.252 0.000 0.798 459 L CB -0.949 40.969 42.059 -0.236 0.000 0.922 459 L HN -0.037 nan 8.230 nan 0.000 0.445 460 D N 0.369 120.675 120.400 -0.157 0.000 2.365 460 D HA 0.062 4.707 4.640 0.008 0.000 0.237 460 D C -1.460 174.865 176.300 0.042 0.000 1.190 460 D CA -2.142 51.882 54.000 0.041 0.000 0.867 460 D CB 1.327 42.197 40.800 0.117 0.000 1.050 460 D HN -0.021 nan 8.370 nan 0.000 0.491 461 P HA -0.167 nan 4.420 nan 0.000 0.217 461 P C 0.926 178.243 177.300 0.027 0.000 1.148 461 P CA 0.850 63.971 63.100 0.035 0.000 0.828 461 P CB 0.010 31.727 31.700 0.028 0.000 0.783 462 S N -1.465 114.249 115.700 0.023 0.000 2.786 462 S HA 0.106 4.581 4.470 0.008 0.000 0.223 462 S C 1.351 175.939 174.600 -0.019 0.000 0.956 462 S CA -0.083 58.118 58.200 0.001 0.000 0.961 462 S CB -1.315 61.886 63.200 0.002 0.000 0.784 462 S HN 0.100 nan 8.310 nan 0.000 0.519 463 L N 0.452 121.672 121.223 -0.006 0.000 2.693 463 L HA 0.313 4.658 4.340 0.008 0.000 0.235 463 L C 0.047 176.775 176.870 -0.237 0.000 1.127 463 L CA -0.314 54.474 54.840 -0.087 0.000 0.914 463 L CB -0.355 41.711 42.059 0.010 0.000 1.193 463 L HN 0.218 nan 8.230 nan 0.000 0.502 464 N N -1.574 117.053 118.700 -0.121 0.000 2.782 464 N HA -0.241 4.504 4.740 0.008 0.000 0.251 464 N C -0.473 174.943 175.510 -0.157 0.000 1.101 464 N CA 0.887 53.858 53.050 -0.130 0.000 0.764 464 N CB -1.981 36.415 38.487 -0.153 0.000 1.122 464 N HN 0.268 nan 8.380 nan 0.000 0.561 465 Y N 1.214 121.504 120.300 -0.017 0.000 2.326 465 Y HA 0.196 4.751 4.550 0.009 0.000 0.333 465 Y C 1.921 177.847 175.900 0.043 0.000 1.240 465 Y CA 0.095 58.210 58.100 0.026 0.000 1.365 465 Y CB 0.480 38.941 38.460 0.001 0.000 1.289 465 Y HN 0.103 nan 8.280 nan 0.000 0.548 466 T N -2.243 112.465 114.554 0.258 0.000 2.860 466 T HA 0.036 4.391 4.350 0.008 0.000 0.299 466 T C 1.179 175.963 174.700 0.141 0.000 1.045 466 T CA -0.276 61.920 62.100 0.160 0.000 1.071 466 T CB 0.827 69.780 68.868 0.142 0.000 0.985 466 T HN 0.738 nan 8.240 nan 0.000 0.537 467 T N 1.874 116.480 114.554 0.087 0.000 2.737 467 T HA -0.118 4.237 4.350 0.008 0.000 0.269 467 T C 1.668 176.403 174.700 0.059 0.000 1.040 467 T CA 2.056 64.193 62.100 0.062 0.000 1.142 467 T CB -0.380 68.512 68.868 0.040 0.000 0.861 467 T HN 0.820 nan 8.240 nan 0.000 0.456 468 E N 1.032 121.264 120.200 0.053 0.000 2.216 468 E HA -0.008 4.347 4.350 0.008 0.000 0.192 468 E C 2.124 178.757 176.600 0.055 0.000 0.988 468 E CA 0.587 57.002 56.400 0.026 0.000 0.834 468 E CB -0.155 29.532 29.700 -0.021 0.000 0.772 468 E HN 0.539 nan 8.360 nan 0.000 0.479 469 E N 0.667 120.937 120.200 0.118 0.000 2.106 469 E HA -0.108 4.247 4.350 0.008 0.000 0.192 469 E C 2.055 178.787 176.600 0.220 0.000 0.984 469 E CA 0.437 56.998 56.400 0.267 0.000 0.806 469 E CB 0.011 29.982 29.700 0.451 0.000 0.750 469 E HN 0.099 nan 8.360 nan 0.000 0.458 470 R N 0.502 121.066 120.500 0.107 0.000 2.096 470 R HA -0.114 4.231 4.340 0.008 0.000 0.235 470 R C 2.155 178.467 176.300 0.021 0.000 1.127 470 R CA 0.962 57.073 56.100 0.019 0.000 0.968 470 R CB -0.062 30.247 30.300 0.016 0.000 0.861 470 R HN 0.165 nan 8.270 nan 0.000 0.440 471 I N -0.234 120.370 120.570 0.056 0.000 2.333 471 I HA -0.232 3.943 4.170 0.008 0.000 0.246 471 I C 2.022 178.187 176.117 0.080 0.000 1.106 471 I CA 0.643 61.970 61.300 0.045 0.000 1.411 471 I CB -0.240 37.783 38.000 0.039 0.000 1.082 471 I HN 0.120 nan 8.210 nan 0.000 0.420 472 F N 2.003 121.916 119.950 -0.060 0.000 2.134 472 F HA -0.229 4.303 4.527 0.007 0.000 0.299 472 F C 2.416 178.211 175.800 -0.009 0.000 1.097 472 F CA 1.292 59.246 58.000 -0.077 0.000 1.264 472 F CB -0.691 38.195 39.000 -0.190 0.000 1.001 472 F HN 0.027 nan 8.300 nan 0.000 0.479 473 A N 0.270 123.018 122.820 -0.119 0.000 1.908 473 A HA -0.258 4.067 4.320 0.008 0.000 0.218 473 A C 2.168 179.627 177.584 -0.208 0.000 1.181 473 A CA 1.941 53.856 52.037 -0.203 0.000 0.627 473 A CB -0.935 17.970 19.000 -0.159 0.000 0.818 473 A HN 0.628 nan 8.150 nan 0.000 0.445 474 Q N -0.818 118.899 119.800 -0.137 0.000 2.061 474 Q HA -0.202 4.143 4.340 0.008 0.000 0.204 474 Q C 2.393 178.297 176.000 -0.159 0.000 0.984 474 Q CA 1.613 57.344 55.803 -0.119 0.000 0.846 474 Q CB -0.239 28.454 28.738 -0.075 0.000 0.902 474 Q HN 0.626 nan 8.270 nan 0.000 0.421 475 R N 0.387 120.780 120.500 -0.178 0.000 2.096 475 R HA -0.143 4.202 4.340 0.008 0.000 0.240 475 R C 2.367 178.429 176.300 -0.396 0.000 1.139 475 R CA 1.311 57.221 56.100 -0.318 0.000 0.952 475 R CB -0.338 29.852 30.300 -0.184 0.000 0.854 475 R HN 0.253 nan 8.270 nan 0.000 0.436 476 L N -0.023 121.071 121.223 -0.215 0.000 2.027 476 L HA -0.182 4.163 4.340 0.008 0.000 0.206 476 L C 2.556 179.443 176.870 0.029 0.000 1.074 476 L CA 1.344 56.175 54.840 -0.015 0.000 0.745 476 L CB -0.356 41.521 42.059 -0.304 0.000 0.898 476 L HN 0.263 nan 8.230 nan 0.000 0.433 477 M N -0.655 118.875 119.600 -0.117 0.000 2.106 477 M HA -0.234 4.251 4.480 0.008 0.000 0.259 477 M C 2.296 178.607 176.300 0.018 0.000 1.068 477 M CA 1.672 56.926 55.300 -0.078 0.000 1.100 477 M CB -0.413 32.118 32.600 -0.114 0.000 1.351 477 M HN 0.101 nan 8.290 nan 0.000 0.404 478 K N -0.268 120.106 120.400 -0.043 0.000 2.057 478 K HA -0.140 4.185 4.320 0.008 0.000 0.207 478 K C 1.921 178.571 176.600 0.083 0.000 1.049 478 K CA 1.584 57.847 56.287 -0.040 0.000 0.931 478 K CB -0.357 32.050 32.500 -0.154 0.000 0.714 478 K HN 0.320 nan 8.250 nan 0.000 0.440 479 Y N -0.103 120.324 120.300 0.211 0.000 2.097 479 Y HA -0.236 4.321 4.550 0.011 0.000 0.282 479 Y C 2.407 178.434 175.900 0.211 0.000 1.152 479 Y CA 0.858 59.113 58.100 0.259 0.000 1.136 479 Y CB -0.764 37.989 38.460 0.489 0.000 0.975 479 Y HN 0.220 nan 8.280 nan 0.000 0.498 480 W N 0.570 121.954 121.300 0.140 0.000 2.378 480 W HA -0.226 4.438 4.660 0.007 0.000 0.313 480 W C 2.552 179.080 176.519 0.016 0.000 1.197 480 W CA 2.327 59.695 57.345 0.039 0.000 1.304 480 W CB -0.706 28.703 29.460 -0.084 0.000 1.148 480 W HN 0.222 nan 8.180 nan 0.000 0.494 481 T N -1.671 112.989 114.554 0.176 0.000 2.867 481 T HA -0.170 4.185 4.350 0.008 0.000 0.268 481 T C 1.381 176.103 174.700 0.036 0.000 1.057 481 T CA 1.344 63.479 62.100 0.058 0.000 1.136 481 T CB -0.650 68.230 68.868 0.019 0.000 0.874 481 T HN -0.072 nan 8.240 nan 0.000 0.466 482 N N 1.011 119.749 118.700 0.063 0.000 2.166 482 N HA -0.006 4.739 4.740 0.008 0.000 0.186 482 N C 1.355 176.854 175.510 -0.018 0.000 1.019 482 N CA 1.009 54.074 53.050 0.025 0.000 0.856 482 N CB -0.699 37.820 38.487 0.054 0.000 0.993 482 N HN 0.514 nan 8.380 nan 0.000 0.426 483 F N 1.562 121.424 119.950 -0.147 0.000 2.146 483 F HA -0.017 4.515 4.527 0.009 0.000 0.298 483 F C 2.141 177.854 175.800 -0.144 0.000 1.096 483 F CA 1.214 59.074 58.000 -0.233 0.000 1.275 483 F CB -0.414 38.353 39.000 -0.390 0.000 1.008 483 F HN 0.028 nan 8.300 nan 0.000 0.480 484 A N 0.602 123.312 122.820 -0.184 0.000 1.933 484 A HA -0.178 4.147 4.320 0.008 0.000 0.218 484 A C 2.373 179.827 177.584 -0.218 0.000 1.175 484 A CA 1.720 53.626 52.037 -0.217 0.000 0.628 484 A CB -0.708 18.253 19.000 -0.066 0.000 0.814 484 A HN 0.459 nan 8.150 nan 0.000 0.444 485 R N -1.249 119.159 120.500 -0.153 0.000 2.073 485 R HA -0.068 4.277 4.340 0.008 0.000 0.229 485 R C 1.948 178.160 176.300 -0.147 0.000 1.120 485 R CA 1.814 57.845 56.100 -0.115 0.000 0.967 485 R CB -0.144 30.117 30.300 -0.065 0.000 0.862 485 R HN 0.724 nan 8.270 nan 0.000 0.436 486 T N -5.407 109.033 114.554 -0.189 0.000 3.016 486 T HA 0.215 4.570 4.350 0.008 0.000 0.271 486 T C 1.111 175.695 174.700 -0.193 0.000 0.968 486 T CA 0.390 62.401 62.100 -0.149 0.000 0.891 486 T CB 1.301 70.116 68.868 -0.087 0.000 1.149 486 T HN 0.310 nan 8.240 nan 0.000 0.524 487 G N 1.386 109.951 108.800 -0.392 0.000 2.168 487 G HA2 -0.186 3.779 3.960 0.008 0.000 0.257 487 G HA3 -0.186 3.779 3.960 0.008 0.000 0.257 487 G C -0.332 174.506 174.900 -0.105 0.000 0.997 487 G CA 0.315 45.150 45.100 -0.442 0.000 0.708 487 G HN 0.802 nan 8.290 nan 0.000 0.520 488 D N -0.936 119.383 120.400 -0.135 0.000 2.616 488 D HA 0.413 5.058 4.640 0.008 0.000 0.238 488 D C -1.286 174.876 176.300 -0.230 0.000 1.354 488 D CA -1.598 52.290 54.000 -0.186 0.000 0.970 488 D CB 1.838 42.610 40.800 -0.046 0.000 1.369 488 D HN -0.007 nan 8.370 nan 0.000 0.585 489 P HA -0.058 nan 4.420 nan 0.000 0.230 489 P C 0.057 177.390 177.300 0.055 0.000 1.158 489 P CA 0.187 63.125 63.100 -0.270 0.000 0.769 489 P CB 0.395 31.601 31.700 -0.824 0.000 0.807 490 N N 1.292 119.991 118.700 -0.003 0.000 2.503 490 N HA 0.031 4.776 4.740 0.008 0.000 0.267 490 N C 0.031 175.613 175.510 0.120 0.000 1.214 490 N CA 0.262 53.405 53.050 0.154 0.000 0.959 490 N CB 0.538 39.107 38.487 0.136 0.000 1.142 490 N HN 0.005 nan 8.380 nan 0.000 0.455 491 D N 1.181 121.662 120.400 0.135 0.000 2.295 491 D HA 0.166 4.811 4.640 0.008 0.000 0.248 491 D C -1.533 174.808 176.300 0.069 0.000 1.154 491 D CA -1.647 52.401 54.000 0.080 0.000 0.857 491 D CB 1.443 42.282 40.800 0.065 0.000 1.117 491 D HN 0.240 nan 8.370 nan 0.000 0.468 492 P HA 0.014 nan 4.420 nan 0.000 0.221 492 P C 1.310 178.635 177.300 0.041 0.000 1.150 492 P CA 0.628 63.755 63.100 0.044 0.000 0.800 492 P CB 0.608 32.327 31.700 0.030 0.000 0.787 493 R N -0.066 120.456 120.500 0.036 0.000 2.056 493 R HA -0.052 4.293 4.340 0.008 0.000 0.227 493 R C 0.947 177.270 176.300 0.039 0.000 1.149 493 R CA 1.137 57.257 56.100 0.033 0.000 0.937 493 R CB -0.915 29.400 30.300 0.026 0.000 0.835 493 R HN 0.013 nan 8.270 nan 0.000 0.430 494 D N 0.496 120.922 120.400 0.044 0.000 2.662 494 D HA -0.039 4.606 4.640 0.008 0.000 0.228 494 D C 0.253 176.592 176.300 0.064 0.000 1.090 494 D CA 0.105 54.134 54.000 0.049 0.000 1.118 494 D CB 0.131 40.959 40.800 0.047 0.000 1.129 494 D HN 0.231 nan 8.370 nan 0.000 0.472 495 S N 0.391 116.126 115.700 0.058 0.000 2.603 495 S HA -0.021 4.454 4.470 0.008 0.000 0.220 495 S C 2.037 176.673 174.600 0.061 0.000 0.967 495 S CA 0.451 58.689 58.200 0.064 0.000 0.920 495 S CB 0.115 63.348 63.200 0.056 0.000 0.773 495 S HN 0.383 nan 8.310 nan 0.000 0.529 496 K N 2.164 122.596 120.400 0.053 0.000 1.985 496 K HA 0.141 4.467 4.320 0.008 0.000 0.210 496 K C 1.306 177.941 176.600 0.059 0.000 1.047 496 K CA 1.499 57.815 56.287 0.049 0.000 0.932 496 K CB -1.560 30.964 32.500 0.040 0.000 0.716 496 K HN 0.522 nan 8.250 nan 0.000 0.439 497 S N 2.161 117.903 115.700 0.069 0.000 2.558 497 S HA 0.233 4.708 4.470 0.008 0.000 0.287 497 S C -2.204 172.459 174.600 0.104 0.000 1.321 497 S CA -0.724 57.529 58.200 0.089 0.000 1.048 497 S CB 0.638 63.904 63.200 0.110 0.000 0.844 497 S HN 0.452 nan 8.310 nan 0.000 0.512 498 P HA 0.145 nan 4.420 nan 0.000 0.269 498 P C -0.504 176.885 177.300 0.149 0.000 1.215 498 P CA -0.298 62.863 63.100 0.102 0.000 0.780 498 P CB 0.403 32.147 31.700 0.073 0.000 0.898 499 Q N 0.734 120.624 119.800 0.149 0.000 2.230 499 Q HA 0.188 4.533 4.340 0.008 0.000 0.248 499 Q C -0.710 175.454 176.000 0.272 0.000 0.915 499 Q CA -0.055 55.873 55.803 0.209 0.000 0.900 499 Q CB 0.958 29.803 28.738 0.178 0.000 1.229 499 Q HN 0.560 nan 8.270 nan 0.000 0.439 500 W N 6.208 127.580 121.300 0.120 0.000 2.311 500 W HA 0.321 4.986 4.660 0.008 0.000 0.317 500 W C -2.464 174.214 176.519 0.265 0.000 1.065 500 W CA -2.513 54.919 57.345 0.146 0.000 1.364 500 W CB 0.467 29.965 29.460 0.064 0.000 1.233 500 W HN 0.375 nan 8.180 nan 0.000 0.409 501 P HA 0.241 nan 4.420 nan 0.000 0.277 501 P C -2.572 174.900 177.300 0.287 0.000 1.240 501 P CA -1.694 61.619 63.100 0.355 0.000 0.798 501 P CB 0.640 32.465 31.700 0.208 0.000 0.979 502 P HA -0.046 nan 4.420 nan 0.000 0.265 502 P C -0.502 176.774 177.300 -0.040 0.000 1.187 502 P CA 0.410 63.280 63.100 -0.384 0.000 0.766 502 P CB -0.048 31.454 31.700 -0.329 0.000 0.820 503 Y N 3.429 123.667 120.300 -0.104 0.000 2.496 503 Y HA 0.261 4.817 4.550 0.011 0.000 0.334 503 Y C 0.428 176.322 175.900 -0.010 0.000 1.080 503 Y CA 0.415 58.528 58.100 0.022 0.000 1.355 503 Y CB 0.146 38.644 38.460 0.063 0.000 1.193 503 Y HN 0.357 nan 8.280 nan 0.000 0.523 504 T N 0.628 114.901 114.554 -0.469 0.000 2.924 504 T HA 0.191 4.546 4.350 0.008 0.000 0.291 504 T C 0.969 175.349 174.700 -0.534 0.000 1.045 504 T CA -0.216 61.670 62.100 -0.357 0.000 1.015 504 T CB 1.446 70.207 68.868 -0.179 0.000 1.103 504 T HN 0.688 nan 8.240 nan 0.000 0.496 505 T N -0.308 114.093 114.554 -0.255 0.000 2.821 505 T HA -0.047 4.308 4.350 0.008 0.000 0.267 505 T C 2.114 176.734 174.700 -0.134 0.000 1.046 505 T CA 1.307 63.310 62.100 -0.161 0.000 1.139 505 T CB -0.864 67.984 68.868 -0.034 0.000 0.871 505 T HN 0.817 nan 8.240 nan 0.000 0.454 506 A N 0.391 123.144 122.820 -0.112 0.000 2.016 506 A HA 0.669 4.994 4.320 0.008 0.000 0.217 506 A C 2.414 179.955 177.584 -0.072 0.000 1.162 506 A CA 1.241 53.237 52.037 -0.068 0.000 0.662 506 A CB -0.613 18.361 19.000 -0.043 0.000 0.812 506 A HN 0.818 nan 8.150 nan 0.000 0.450 507 A N -2.322 120.427 122.820 -0.118 0.000 2.390 507 A HA 0.385 4.710 4.320 0.008 0.000 0.225 507 A C 0.780 178.308 177.584 -0.093 0.000 1.232 507 A CA 0.608 52.598 52.037 -0.080 0.000 0.964 507 A CB -0.048 18.921 19.000 -0.052 0.000 1.064 507 A HN 0.366 nan 8.150 nan 0.000 0.525 508 Q N 0.311 119.950 119.800 -0.268 0.000 2.416 508 Q HA -0.219 4.126 4.340 0.008 0.000 0.319 508 Q C -0.696 175.394 176.000 0.150 0.000 1.318 508 Q CA 0.757 56.391 55.803 -0.282 0.000 0.915 508 Q CB -1.393 27.371 28.738 0.044 0.000 1.184 508 Q HN 0.818 nan 8.270 nan 0.000 0.444 509 Q N 0.436 120.307 119.800 0.118 0.000 2.235 509 Q HA 0.530 4.875 4.340 0.008 0.000 0.250 509 Q C -0.532 175.758 176.000 0.485 0.000 0.909 509 Q CA -0.306 55.638 55.803 0.234 0.000 0.910 509 Q CB 0.865 29.669 28.738 0.110 0.000 1.223 509 Q HN 0.339 nan 8.270 nan 0.000 0.432 510 Y N -1.735 118.705 120.300 0.233 0.000 2.615 510 Y HA 0.732 5.294 4.550 0.020 0.000 0.341 510 Y C -0.861 175.044 175.900 0.008 0.000 1.089 510 Y CA -1.549 56.669 58.100 0.197 0.000 1.049 510 Y CB 0.497 39.058 38.460 0.168 0.000 1.296 510 Y HN 0.370 nan 8.280 nan 0.000 0.470 511 V N -0.406 119.428 119.914 -0.133 0.000 2.881 511 V HA 0.860 4.985 4.120 0.008 0.000 0.316 511 V C -0.132 175.873 176.094 -0.148 0.000 1.070 511 V CA -0.556 61.517 62.300 -0.379 0.000 0.976 511 V CB 1.286 32.610 31.823 -0.833 0.000 1.038 511 V HN 1.162 nan 8.190 nan 0.000 0.446 512 S N 3.243 118.860 115.700 -0.139 0.000 2.525 512 S HA 0.735 5.210 4.470 0.008 0.000 0.278 512 S C -0.536 174.023 174.600 -0.068 0.000 1.234 512 S CA -0.724 57.464 58.200 -0.020 0.000 1.058 512 S CB 0.772 63.957 63.200 -0.025 0.000 0.983 512 S HN 0.772 nan 8.310 nan 0.000 0.495 513 L N 3.838 125.059 121.223 -0.004 0.000 2.276 513 L HA 0.554 4.899 4.340 0.008 0.000 0.286 513 L C -0.269 176.459 176.870 -0.237 0.000 1.024 513 L CA -0.471 54.374 54.840 0.008 0.000 0.826 513 L CB 0.284 42.442 42.059 0.166 0.000 1.211 513 L HN 0.959 nan 8.230 nan 0.000 0.422 514 N N 2.215 120.701 118.700 -0.356 0.000 3.526 514 N HA 0.355 5.100 4.740 0.008 0.000 0.328 514 N C 0.141 175.098 175.510 -0.921 0.000 1.601 514 N CA -0.953 51.627 53.050 -0.784 0.000 0.834 514 N CB 0.613 38.851 38.487 -0.415 0.000 1.983 514 N HN 0.203 nan 8.380 nan 0.000 0.579 515 L N -0.867 119.902 121.223 -0.758 0.000 2.240 515 L HA 0.193 4.538 4.340 0.008 0.000 0.211 515 L C 0.515 177.228 176.870 -0.261 0.000 1.106 515 L CA 0.741 55.246 54.840 -0.558 0.000 0.793 515 L CB -0.466 41.332 42.059 -0.435 0.000 0.927 515 L HN 0.351 nan 8.230 nan 0.000 0.446 516 K N 0.412 120.689 120.400 -0.204 0.000 2.219 516 K HA 0.184 4.509 4.320 0.008 0.000 0.258 516 K C -2.163 174.396 176.600 -0.067 0.000 1.008 516 K CA -1.663 54.560 56.287 -0.107 0.000 0.928 516 K CB 0.014 32.461 32.500 -0.088 0.000 0.983 516 K HN -0.192 nan 8.250 nan 0.000 0.484 517 P HA -0.021 nan 4.420 nan 0.000 0.271 517 P C -0.376 176.931 177.300 0.011 0.000 1.233 517 P CA -0.252 62.863 63.100 0.025 0.000 0.789 517 P CB 0.391 32.109 31.700 0.029 0.000 0.951 518 L N 1.024 122.271 121.223 0.040 0.000 2.653 518 L HA -0.089 4.256 4.340 0.008 0.000 0.288 518 L C 1.086 177.925 176.870 -0.052 0.000 1.243 518 L CA 1.049 55.871 54.840 -0.030 0.000 0.906 518 L CB -0.321 41.720 42.059 -0.030 0.000 1.154 518 L HN 0.510 nan 8.230 nan 0.000 0.498 519 E N 2.869 123.013 120.200 -0.093 0.000 2.199 519 E HA 0.406 4.761 4.350 0.008 0.000 0.269 519 E C -1.364 175.149 176.600 -0.145 0.000 0.899 519 E CA -0.790 55.556 56.400 -0.090 0.000 0.772 519 E CB 2.116 31.770 29.700 -0.077 0.000 1.155 519 E HN 0.298 nan 8.360 nan 0.000 0.408 520 V N 5.305 125.144 119.914 -0.126 0.000 2.432 520 V HA 0.382 4.507 4.120 0.008 0.000 0.275 520 V C 0.316 176.275 176.094 -0.223 0.000 1.043 520 V CA -0.368 61.831 62.300 -0.168 0.000 0.925 520 V CB 0.938 32.713 31.823 -0.081 0.000 0.985 520 V HN 0.634 nan 8.190 nan 0.000 0.466 521 R N 4.495 124.733 120.500 -0.437 0.000 2.902 521 R HA 0.732 5.077 4.340 0.008 0.000 0.258 521 R C -0.836 175.210 176.300 -0.423 0.000 1.071 521 R CA -1.012 54.798 56.100 -0.483 0.000 1.024 521 R CB 2.134 32.044 30.300 -0.651 0.000 1.184 521 R HN 0.570 nan 8.270 nan 0.000 0.492 522 R N -0.108 120.318 120.500 -0.123 0.000 2.534 522 R HA 0.455 4.800 4.340 0.008 0.000 0.301 522 R C -0.470 176.005 176.300 0.291 0.000 0.961 522 R CA -0.518 55.632 56.100 0.084 0.000 0.871 522 R CB 2.127 32.458 30.300 0.051 0.000 1.170 522 R HN 0.928 nan 8.270 nan 0.000 0.446 523 G N 2.273 111.320 108.800 0.412 0.000 3.391 523 G HA2 -0.216 3.749 3.960 0.008 0.000 0.675 523 G HA3 -0.216 3.749 3.960 0.008 0.000 0.675 523 G C -1.052 174.075 174.900 0.378 0.000 0.899 523 G CA -0.910 44.409 45.100 0.364 0.000 0.755 523 G HN 0.332 nan 8.290 nan 0.000 0.475 524 L N 4.449 125.785 121.223 0.187 0.000 2.282 524 L HA 0.488 4.833 4.340 0.008 0.000 0.287 524 L C 1.634 178.529 176.870 0.042 0.000 1.075 524 L CA -0.516 54.273 54.840 -0.084 0.000 0.839 524 L CB 0.225 42.121 42.059 -0.272 0.000 1.219 524 L HN 0.712 nan 8.230 nan 0.000 0.434 525 R N 3.147 123.702 120.500 0.092 0.000 3.118 525 R HA -0.283 4.062 4.340 0.008 0.000 0.238 525 R C 1.339 177.739 176.300 0.167 0.000 0.884 525 R CA 0.695 56.885 56.100 0.150 0.000 0.601 525 R CB -2.002 28.402 30.300 0.174 0.000 1.009 525 R HN 0.752 nan 8.270 nan 0.000 0.478 526 A N 0.642 123.559 122.820 0.161 0.000 1.883 526 A HA -0.257 4.068 4.320 0.008 0.000 0.217 526 A C 2.101 179.777 177.584 0.154 0.000 1.186 526 A CA 1.275 53.406 52.037 0.156 0.000 0.624 526 A CB -0.089 19.001 19.000 0.150 0.000 0.822 526 A HN 0.390 nan 8.150 nan 0.000 0.444 527 Q N -0.546 119.344 119.800 0.150 0.000 1.993 527 Q HA -0.117 4.228 4.340 0.008 0.000 0.202 527 Q C 2.318 178.426 176.000 0.179 0.000 0.984 527 Q CA 2.215 58.106 55.803 0.148 0.000 0.837 527 Q CB -1.379 27.439 28.738 0.134 0.000 0.902 527 Q HN 0.662 nan 8.270 nan 0.000 0.423 528 T N 0.739 115.425 114.554 0.221 0.000 2.759 528 T HA -0.155 4.200 4.350 0.008 0.000 0.269 528 T C 2.058 176.951 174.700 0.322 0.000 1.042 528 T CA 1.378 63.621 62.100 0.238 0.000 1.140 528 T CB -0.412 68.669 68.868 0.354 0.000 0.864 528 T HN 0.312 nan 8.240 nan 0.000 0.455 529 c N 1.511 120.299 118.600 0.313 0.000 2.448 529 c HA 0.249 4.824 4.570 0.008 0.000 0.280 529 c C 3.146 177.385 174.090 0.249 0.000 1.398 529 c CA -0.118 56.408 56.329 0.328 0.000 1.774 529 c CB -1.500 41.146 42.510 0.226 0.000 1.888 529 c HN 0.653 nan 8.230 nan 0.000 0.519 530 A N 0.335 123.270 122.820 0.191 0.000 1.940 530 A HA -0.219 4.106 4.320 0.008 0.000 0.219 530 A C 1.877 179.550 177.584 0.148 0.000 1.176 530 A CA 1.712 53.839 52.037 0.150 0.000 0.631 530 A CB -0.803 18.272 19.000 0.126 0.000 0.814 530 A HN 0.555 nan 8.150 nan 0.000 0.446 531 F N -0.945 118.982 119.950 -0.040 0.000 2.102 531 F HA -0.167 4.364 4.527 0.007 0.000 0.298 531 F C 1.909 177.656 175.800 -0.088 0.000 1.105 531 F CA 1.738 59.642 58.000 -0.161 0.000 1.239 531 F CB -0.468 38.186 39.000 -0.576 0.000 0.991 531 F HN 0.381 nan 8.300 nan 0.000 0.474 532 W N 0.351 121.620 121.300 -0.052 0.000 2.453 532 W HA -0.058 4.605 4.660 0.006 0.000 0.289 532 W C 2.073 178.533 176.519 -0.098 0.000 1.215 532 W CA 0.756 58.030 57.345 -0.119 0.000 1.297 532 W CB -0.400 29.127 29.460 0.111 0.000 1.113 532 W HN -0.053 nan 8.180 nan 0.000 0.551 533 N N -0.362 118.448 118.700 0.183 0.000 2.409 533 N HA 0.049 4.794 4.740 0.008 0.000 0.174 533 N C 1.472 177.009 175.510 0.045 0.000 1.037 533 N CA 0.858 53.971 53.050 0.106 0.000 0.898 533 N CB -0.193 38.361 38.487 0.111 0.000 1.010 533 N HN 0.215 nan 8.380 nan 0.000 0.445 534 R N -1.154 119.372 120.500 0.043 0.000 2.140 534 R HA 0.241 4.586 4.340 0.008 0.000 0.200 534 R C 1.470 177.787 176.300 0.028 0.000 1.069 534 R CA 0.032 56.157 56.100 0.042 0.000 1.088 534 R CB -0.217 30.131 30.300 0.080 0.000 1.012 534 R HN 0.033 nan 8.270 nan 0.000 0.500 535 F N 1.658 121.512 119.950 -0.160 0.000 2.118 535 F HA 0.038 4.570 4.527 0.009 0.000 0.293 535 F C 1.922 177.548 175.800 -0.289 0.000 1.102 535 F CA 0.978 58.857 58.000 -0.202 0.000 1.247 535 F CB -0.185 38.704 39.000 -0.185 0.000 1.017 535 F HN -0.118 nan 8.300 nan 0.000 0.475 536 L N 1.074 121.957 121.223 -0.567 0.000 2.083 536 L HA -0.097 4.248 4.340 0.008 0.000 0.209 536 L C -0.649 175.972 176.870 -0.416 0.000 1.083 536 L CA 1.867 56.315 54.840 -0.654 0.000 0.752 536 L CB -2.067 39.599 42.059 -0.655 0.000 0.899 536 L HN 0.076 nan 8.230 nan 0.000 0.433 537 P HA -0.189 nan 4.420 nan 0.000 0.215 537 P C 1.446 178.612 177.300 -0.223 0.000 1.157 537 P CA 1.428 64.421 63.100 -0.178 0.000 0.874 537 P CB -0.080 31.554 31.700 -0.109 0.000 0.790 538 K N -0.728 119.497 120.400 -0.291 0.000 2.032 538 K HA -0.138 4.187 4.320 0.008 0.000 0.209 538 K C 2.048 178.447 176.600 -0.335 0.000 1.048 538 K CA 1.066 57.184 56.287 -0.281 0.000 0.927 538 K CB -1.465 30.869 32.500 -0.275 0.000 0.712 538 K HN 0.137 nan 8.250 nan 0.000 0.441 539 L N 1.241 122.125 121.223 -0.564 0.000 2.127 539 L HA -0.141 4.204 4.340 0.008 0.000 0.211 539 L C 2.033 178.756 176.870 -0.244 0.000 1.089 539 L CA 1.217 55.784 54.840 -0.454 0.000 0.757 539 L CB -0.463 41.229 42.059 -0.612 0.000 0.899 539 L HN 0.025 nan 8.230 nan 0.000 0.434 540 L N -0.979 120.109 121.223 -0.225 0.000 2.201 540 L HA -0.044 4.301 4.340 0.008 0.000 0.212 540 L C 1.624 178.435 176.870 -0.099 0.000 1.105 540 L CA 0.997 55.757 54.840 -0.133 0.000 0.775 540 L CB -1.226 40.767 42.059 -0.110 0.000 0.913 540 L HN 0.161 nan 8.230 nan 0.000 0.440 541 S N 0.470 116.104 115.700 -0.109 0.000 4.085 541 S HA 0.547 5.022 4.470 0.008 0.000 0.189 541 S C 0.419 174.980 174.600 -0.066 0.000 1.392 541 S CA 0.410 58.563 58.200 -0.077 0.000 0.972 541 S CB -0.581 62.575 63.200 -0.073 0.000 1.482 541 S HN 0.422 nan 8.310 nan 0.000 0.446 542 A N 0.000 122.786 122.820 -0.057 0.000 2.254 542 A HA 0.000 4.325 4.320 0.008 0.000 0.244 542 A CA 0.000 52.013 52.037 -0.041 0.000 0.836 542 A CB 0.000 18.974 19.000 -0.042 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486