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 1j07_1_A DATA FIRST_RESID 1 DATA SEQUENCE EGREDPQLLV RVRGGQLRGI RLKAPGGPVS AFLGIPFAEP PVGSRRFMPP DATA SEQUENCE EPKRPWSGVL DATTFQNVcY QYVDTLYPGF EGTEMWNPNR ELSEDcLYLN DATA SEQUENCE VWTPYPRPAS PTPVLIWIYG GGFYSGAASL DVYDGRFLAQ VEGAVLVSMN DATA SEQUENCE YRVGTFGFLA LPGSREAPGN VGLLDQRLAL QWVQENIAAF GGDPMSVTLF DATA SEQUENCE GESAGAASVG MHILSLPSRS LFHRAVLQSG TPNGPWATVS AGEARRRATL DATA SEQUENCE LARLVGcPXX XXXXNDTELI AcLRTRPAQD LVDHEWHVLP QESIFRFSFV DATA SEQUENCE PVVDGDFLSD TPEALINTGD FQDLQVLVGV VKDEGSYFLV YGVPGFSKDN DATA SEQUENCE ESLISRAQFL AGVRIGVPQA SDLAAEAVVL HYTDWLHPED PTHLRDAMSA DATA SEQUENCE VVGDHNVVcP VAQLAGRLAA QGARVYAYIF EHRASTLTWP LWMGVPHGYE DATA SEQUENCE IEFIFGLPLD PSLNYTTEER IFAQRLMKYW TNFARTGDPN DPRDSKSPQW DATA SEQUENCE PPYTTAAQQY VSLNLKPLEV RRGLRAQTcA FWNRFLPKLL SA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 E HA 0.000 nan 4.350 nan 0.000 0.291 1 E C 0.000 176.613 176.600 0.022 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 0.111 108.924 108.800 0.021 0.000 4.220 2 G HA2 -0.149 3.817 3.960 0.010 0.000 0.197 2 G HA3 -0.149 3.817 3.960 0.010 0.000 0.197 2 G C 0.906 175.817 174.900 0.018 0.000 1.518 2 G CA 0.158 45.268 45.100 0.017 0.000 0.955 2 G HN 0.285 nan 8.290 nan 0.000 0.353 3 R N 1.426 121.937 120.500 0.018 0.000 2.290 3 R HA 0.406 4.752 4.340 0.010 0.000 0.197 3 R C 0.806 177.118 176.300 0.021 0.000 0.913 3 R CA 0.284 56.395 56.100 0.017 0.000 1.040 3 R CB 0.124 30.432 30.300 0.013 0.000 0.992 3 R HN 0.566 nan 8.270 nan 0.000 0.500 4 E N 0.929 121.144 120.200 0.026 0.000 2.409 4 E HA -0.040 4.316 4.350 0.010 0.000 0.257 4 E C -0.456 176.169 176.600 0.042 0.000 1.150 4 E CA -0.224 56.195 56.400 0.032 0.000 0.942 4 E CB 0.354 30.077 29.700 0.037 0.000 0.979 4 E HN -0.014 nan 8.360 nan 0.000 0.447 5 D N 2.559 122.991 120.400 0.053 0.000 2.349 5 D HA -0.019 4.627 4.640 0.010 0.000 0.266 5 D C -1.443 174.901 176.300 0.074 0.000 1.293 5 D CA -1.762 52.284 54.000 0.077 0.000 0.926 5 D CB 0.734 41.602 40.800 0.113 0.000 1.090 5 D HN 0.155 nan 8.370 nan 0.000 0.502 6 P HA -0.191 nan 4.420 nan 0.000 0.226 6 P C 0.955 178.276 177.300 0.035 0.000 1.146 6 P CA 0.757 63.880 63.100 0.039 0.000 0.773 6 P CB 0.463 32.176 31.700 0.022 0.000 0.772 7 Q N -0.171 119.650 119.800 0.036 0.000 2.425 7 Q HA 0.093 4.439 4.340 0.010 0.000 0.204 7 Q C 1.630 177.692 176.000 0.104 0.000 0.933 7 Q CA 0.616 56.412 55.803 -0.011 0.000 0.939 7 Q CB -0.642 27.971 28.738 -0.209 0.000 1.044 7 Q HN 0.262 nan 8.270 nan 0.000 0.513 8 L N 0.055 121.369 121.223 0.152 0.000 2.769 8 L HA 0.336 4.682 4.340 0.010 0.000 0.240 8 L C -0.433 176.615 176.870 0.297 0.000 1.163 8 L CA -0.173 54.796 54.840 0.214 0.000 0.962 8 L CB 0.373 42.485 42.059 0.088 0.000 1.258 8 L HN 0.052 nan 8.230 nan 0.000 0.513 9 L N 0.754 122.099 121.223 0.204 0.000 2.287 9 L HA 0.601 4.946 4.340 0.010 0.000 0.287 9 L C -0.687 176.231 176.870 0.080 0.000 1.022 9 L CA -0.465 54.470 54.840 0.158 0.000 0.814 9 L CB 2.051 44.164 42.059 0.089 0.000 1.217 9 L HN -0.217 nan 8.230 nan 0.000 0.420 10 V N 3.353 123.288 119.914 0.035 0.000 3.049 10 V HA 0.527 4.653 4.120 0.010 0.000 0.309 10 V C -0.601 175.408 176.094 -0.142 0.000 1.148 10 V CA -0.759 61.425 62.300 -0.193 0.000 0.990 10 V CB 3.041 34.505 31.823 -0.599 0.000 1.039 10 V HN 0.749 nan 8.190 nan 0.000 0.430 11 R N 2.210 122.591 120.500 -0.198 0.000 2.562 11 R HA 0.852 5.197 4.340 0.010 0.000 0.298 11 R C -1.157 175.047 176.300 -0.161 0.000 0.961 11 R CA -0.343 55.686 56.100 -0.117 0.000 0.881 11 R CB 1.973 32.212 30.300 -0.102 0.000 1.159 11 R HN 0.699 nan 8.270 nan 0.000 0.450 12 V N 1.693 121.574 119.914 -0.054 0.000 3.113 12 V HA 0.500 4.626 4.120 0.010 0.000 0.316 12 V C 1.135 177.170 176.094 -0.098 0.000 1.125 12 V CA -1.014 61.256 62.300 -0.051 0.000 1.026 12 V CB 1.727 33.664 31.823 0.192 0.000 1.080 12 V HN 0.901 nan 8.190 nan 0.000 0.444 13 R N 1.822 122.249 120.500 -0.122 0.000 2.174 13 R HA -0.093 4.253 4.340 0.010 0.000 0.253 13 R C 1.654 177.842 176.300 -0.187 0.000 1.165 13 R CA 2.618 58.641 56.100 -0.129 0.000 0.984 13 R CB -1.102 29.139 30.300 -0.098 0.000 0.873 13 R HN 1.086 nan 8.270 nan 0.000 0.456 14 G N -2.185 106.469 108.800 -0.243 0.000 2.939 14 G HA2 0.434 4.400 3.960 0.010 0.000 0.210 14 G HA3 0.434 4.400 3.960 0.010 0.000 0.210 14 G C 0.236 174.222 174.900 -1.523 0.000 1.160 14 G CA 0.247 44.939 45.100 -0.681 0.000 0.770 14 G HN 0.729 nan 8.290 nan 0.000 0.543 15 G N -1.015 107.214 108.800 -0.953 0.000 2.362 15 G HA2 0.176 4.142 3.960 0.010 0.000 0.288 15 G HA3 0.176 4.142 3.960 0.010 0.000 0.288 15 G C -1.289 173.560 174.900 -0.086 0.000 1.305 15 G CA -0.994 43.622 45.100 -0.807 0.000 0.910 15 G HN 0.224 nan 8.290 nan 0.000 0.518 16 Q N -0.444 119.438 119.800 0.137 0.000 2.259 16 Q HA 0.671 5.017 4.340 0.010 0.000 0.249 16 Q C -0.393 175.870 176.000 0.439 0.000 0.914 16 Q CA -0.129 55.819 55.803 0.241 0.000 0.904 16 Q CB 1.539 30.368 28.738 0.152 0.000 1.213 16 Q HN 0.444 nan 8.270 nan 0.000 0.428 17 L N 1.574 122.991 121.223 0.324 0.000 2.354 17 L HA 0.642 4.987 4.340 0.010 0.000 0.264 17 L C -0.506 176.553 176.870 0.316 0.000 1.008 17 L CA -0.876 54.170 54.840 0.344 0.000 0.819 17 L CB 2.165 44.466 42.059 0.403 0.000 1.339 17 L HN 0.457 nan 8.230 nan 0.000 0.420 18 R N 0.510 121.177 120.500 0.279 0.000 2.439 18 R HA 0.655 5.001 4.340 0.010 0.000 0.310 18 R C -0.319 176.081 176.300 0.166 0.000 0.955 18 R CA -0.329 55.906 56.100 0.224 0.000 0.853 18 R CB 1.713 32.081 30.300 0.114 0.000 1.171 18 R HN 0.825 nan 8.270 nan 0.000 0.449 19 G N 3.290 112.120 108.800 0.050 0.000 2.568 19 G HA2 0.463 4.429 3.960 0.010 0.000 0.293 19 G HA3 0.463 4.429 3.960 0.010 0.000 0.293 19 G C -0.971 173.715 174.900 -0.355 0.000 1.347 19 G CA -0.722 44.058 45.100 -0.534 0.000 1.039 19 G HN 0.595 nan 8.290 nan 0.000 0.523 20 I N -1.042 119.270 120.570 -0.429 0.000 2.647 20 I HA 0.537 4.713 4.170 0.010 0.000 0.295 20 I C -0.158 175.826 176.117 -0.222 0.000 1.078 20 I CA -1.183 59.965 61.300 -0.254 0.000 1.048 20 I CB 2.130 39.993 38.000 -0.229 0.000 1.239 20 I HN 0.431 nan 8.210 nan 0.000 0.421 21 R N 7.544 127.953 120.500 -0.152 0.000 2.216 21 R HA 0.540 4.886 4.340 0.010 0.000 0.332 21 R C -1.638 174.553 176.300 -0.181 0.000 1.056 21 R CA -0.368 55.624 56.100 -0.180 0.000 0.901 21 R CB 0.564 30.707 30.300 -0.262 0.000 1.039 21 R HN 0.651 nan 8.270 nan 0.000 0.456 22 L N 3.359 124.493 121.223 -0.149 0.000 2.334 22 L HA 0.480 4.825 4.340 0.010 0.000 0.270 22 L C 0.054 176.851 176.870 -0.121 0.000 1.018 22 L CA -0.917 53.856 54.840 -0.112 0.000 0.811 22 L CB 1.780 43.808 42.059 -0.051 0.000 1.271 22 L HN 0.484 nan 8.230 nan 0.000 0.443 23 K N 1.591 121.928 120.400 -0.104 0.000 2.211 23 K HA 0.694 5.020 4.320 0.010 0.000 0.275 23 K C -1.054 175.487 176.600 -0.098 0.000 1.024 23 K CA -0.318 55.911 56.287 -0.097 0.000 0.887 23 K CB 1.620 34.076 32.500 -0.075 0.000 1.084 23 K HN 0.723 nan 8.250 nan 0.000 0.463 24 A N 5.232 127.998 122.820 -0.090 0.000 2.354 24 A HA 0.501 4.827 4.320 0.010 0.000 0.321 24 A C -2.127 175.460 177.584 0.004 0.000 1.125 24 A CA -1.769 50.209 52.037 -0.098 0.000 0.799 24 A CB 1.038 19.955 19.000 -0.139 0.000 1.293 24 A HN 0.552 nan 8.150 nan 0.000 0.452 25 P HA -0.213 nan 4.420 nan 0.000 0.218 25 P C 1.316 178.645 177.300 0.050 0.000 1.165 25 P CA 2.529 65.683 63.100 0.089 0.000 0.922 25 P CB 0.181 31.964 31.700 0.139 0.000 0.794 26 G N -2.342 106.489 108.800 0.052 0.000 3.233 26 G HA2 0.452 4.418 3.960 0.010 0.000 0.227 26 G HA3 0.452 4.418 3.960 0.010 0.000 0.227 26 G C 0.439 175.354 174.900 0.025 0.000 1.175 26 G CA 0.456 45.578 45.100 0.035 0.000 0.781 26 G HN 0.657 nan 8.290 nan 0.000 0.542 27 G N -0.462 108.345 108.800 0.011 0.000 2.337 27 G HA2 0.391 4.357 3.960 0.010 0.000 0.298 27 G HA3 0.391 4.357 3.960 0.010 0.000 0.298 27 G C -3.431 171.453 174.900 -0.028 0.000 1.335 27 G CA -0.729 44.372 45.100 0.002 0.000 0.875 27 G HN 0.041 nan 8.290 nan 0.000 0.579 28 P HA 0.594 nan 4.420 nan 0.000 0.279 28 P C -0.212 177.078 177.300 -0.016 0.000 1.252 28 P CA -0.378 62.637 63.100 -0.142 0.000 0.811 28 P CB 1.857 33.315 31.700 -0.403 0.000 1.035 29 V N -2.178 117.730 119.914 -0.011 0.000 3.078 29 V HA 0.645 4.770 4.120 0.010 0.000 0.311 29 V C -0.417 175.775 176.094 0.162 0.000 1.138 29 V CA -0.899 61.485 62.300 0.139 0.000 1.007 29 V CB 1.703 33.603 31.823 0.128 0.000 1.045 29 V HN 0.451 nan 8.190 nan 0.000 0.432 30 S N 1.683 117.541 115.700 0.263 0.000 2.508 30 S HA 0.867 5.343 4.470 0.010 0.000 0.284 30 S C 0.021 174.625 174.600 0.006 0.000 1.192 30 S CA 0.021 58.317 58.200 0.160 0.000 1.070 30 S CB 1.286 64.666 63.200 0.300 0.000 1.004 30 S HN 1.592 nan 8.310 nan 0.000 0.493 31 A N 2.628 125.258 122.820 -0.316 0.000 2.356 31 A HA 0.797 5.123 4.320 0.010 0.000 0.310 31 A C -1.270 175.875 177.584 -0.733 0.000 1.075 31 A CA -0.628 51.123 52.037 -0.476 0.000 0.746 31 A CB 0.500 19.211 19.000 -0.481 0.000 1.221 31 A HN 0.684 nan 8.150 nan 0.000 0.443 32 F N 2.776 122.556 119.950 -0.283 0.000 2.430 32 F HA 0.481 5.013 4.527 0.009 0.000 0.362 32 F C -0.202 175.411 175.800 -0.312 0.000 1.103 32 F CA -0.284 57.622 58.000 -0.158 0.000 1.045 32 F CB 1.323 40.366 39.000 0.072 0.000 1.276 32 F HN 0.354 nan 8.300 nan 0.000 0.444 33 L N 2.128 123.198 121.223 -0.255 0.000 2.325 33 L HA 0.727 5.073 4.340 0.010 0.000 0.278 33 L C 0.895 177.665 176.870 -0.166 0.000 1.023 33 L CA -1.000 53.639 54.840 -0.335 0.000 0.811 33 L CB 1.714 43.377 42.059 -0.660 0.000 1.249 33 L HN 0.807 nan 8.230 nan 0.000 0.431 34 G N 2.917 111.675 108.800 -0.070 0.000 2.225 34 G HA2 -0.243 3.722 3.960 0.010 0.000 0.264 34 G HA3 -0.243 3.722 3.960 0.010 0.000 0.264 34 G C -0.136 174.811 174.900 0.077 0.000 1.060 34 G CA -0.377 44.702 45.100 -0.034 0.000 0.833 34 G HN 0.469 nan 8.290 nan 0.000 0.498 35 I N 2.116 122.735 120.570 0.082 0.000 2.416 35 I HA 0.233 4.409 4.170 0.010 0.000 0.288 35 I C -1.383 174.795 176.117 0.102 0.000 1.051 35 I CA -2.080 59.252 61.300 0.054 0.000 1.375 35 I CB 1.066 39.050 38.000 -0.026 0.000 1.407 35 I HN -0.007 nan 8.210 nan 0.000 0.516 36 P HA 0.057 nan 4.420 nan 0.000 0.281 36 P C -0.314 176.943 177.300 -0.071 0.000 1.252 36 P CA -0.021 62.955 63.100 -0.208 0.000 0.778 36 P CB 0.571 32.130 31.700 -0.235 0.000 0.895 37 F N 1.170 120.962 119.950 -0.264 0.000 2.706 37 F HA 0.746 5.279 4.527 0.010 0.000 0.313 37 F C -0.077 175.705 175.800 -0.030 0.000 1.096 37 F CA -0.766 57.149 58.000 -0.142 0.000 1.219 37 F CB 0.308 39.129 39.000 -0.299 0.000 1.051 37 F HN 0.357 nan 8.300 nan 0.000 0.568 38 A N -0.032 122.502 122.820 -0.476 0.000 2.610 38 A HA 0.573 4.899 4.320 0.010 0.000 0.291 38 A C -1.055 176.352 177.584 -0.295 0.000 1.086 38 A CA -0.798 51.027 52.037 -0.353 0.000 0.677 38 A CB 1.017 19.684 19.000 -0.553 0.000 1.278 38 A HN 0.060 nan 8.150 nan 0.000 0.414 39 E N 1.103 121.209 120.200 -0.158 0.000 2.360 39 E HA 0.295 4.651 4.350 0.010 0.000 0.269 39 E C -2.354 174.145 176.600 -0.170 0.000 1.022 39 E CA -1.445 54.884 56.400 -0.119 0.000 0.887 39 E CB 0.214 29.885 29.700 -0.049 0.000 0.990 39 E HN 0.248 nan 8.360 nan 0.000 0.426 40 P HA -0.033 nan 4.420 nan 0.000 0.258 40 P C -2.177 175.056 177.300 -0.111 0.000 1.172 40 P CA -0.524 62.490 63.100 -0.143 0.000 0.762 40 P CB -0.010 31.644 31.700 -0.076 0.000 0.764 41 P HA 0.010 nan 4.420 nan 0.000 0.220 41 P C -0.160 177.087 177.300 -0.088 0.000 1.778 41 P CA 0.058 63.102 63.100 -0.093 0.000 0.912 41 P CB -0.092 31.552 31.700 -0.093 0.000 1.861 42 V N -2.948 116.921 119.914 -0.076 0.000 3.096 42 V HA 0.854 4.980 4.120 0.010 0.000 0.319 42 V C 1.149 177.207 176.094 -0.059 0.000 1.082 42 V CA 0.242 62.498 62.300 -0.073 0.000 1.022 42 V CB 0.533 32.321 31.823 -0.059 0.000 1.103 42 V HN 0.507 nan 8.190 nan 0.000 0.455 43 G N 2.287 111.053 108.800 -0.057 0.000 2.634 43 G HA2 -0.371 3.594 3.960 0.010 0.000 0.318 43 G HA3 -0.371 3.594 3.960 0.010 0.000 0.318 43 G C 1.205 176.085 174.900 -0.033 0.000 1.207 43 G CA 1.862 46.939 45.100 -0.038 0.000 0.987 43 G HN 2.329 nan 8.290 nan 0.000 0.547 44 S N 0.636 116.328 115.700 -0.014 0.000 2.603 44 S HA 0.103 4.579 4.470 0.010 0.000 0.229 44 S C 1.835 176.436 174.600 0.001 0.000 0.972 44 S CA 1.384 59.586 58.200 0.003 0.000 0.935 44 S CB 0.048 63.254 63.200 0.011 0.000 0.769 44 S HN 0.624 nan 8.310 nan 0.000 0.536 45 R N 1.044 121.530 120.500 -0.023 0.000 2.300 45 R HA 0.223 4.569 4.340 0.010 0.000 0.199 45 R C 0.880 177.145 176.300 -0.058 0.000 0.920 45 R CA -0.140 55.944 56.100 -0.026 0.000 1.046 45 R CB -0.188 30.091 30.300 -0.036 0.000 0.984 45 R HN 0.464 nan 8.270 nan 0.000 0.493 46 R N 0.799 121.224 120.500 -0.125 0.000 2.570 46 R HA -0.112 4.234 4.340 0.010 0.000 0.277 46 R C -0.257 175.866 176.300 -0.294 0.000 1.039 46 R CA 0.533 56.432 56.100 -0.335 0.000 1.065 46 R CB 0.112 30.091 30.300 -0.534 0.000 0.964 46 R HN 0.067 nan 8.270 nan 0.000 0.428 47 F N -0.767 119.177 119.950 -0.010 0.000 2.619 47 F HA -0.313 4.220 4.527 0.009 0.000 0.425 47 F C 0.138 175.915 175.800 -0.038 0.000 0.575 47 F CA 0.774 58.744 58.000 -0.050 0.000 1.289 47 F CB -1.616 37.344 39.000 -0.067 0.000 1.859 47 F HN 0.471 nan 8.300 nan 0.000 0.280 48 M N 1.015 120.676 119.600 0.101 0.000 2.444 48 M HA 0.415 4.901 4.480 0.010 0.000 0.319 48 M C -2.008 174.314 176.300 0.038 0.000 1.183 48 M CA -1.479 53.861 55.300 0.067 0.000 1.032 48 M CB 0.706 33.337 32.600 0.050 0.000 1.569 48 M HN -0.370 nan 8.290 nan 0.000 0.468 49 P HA 0.067 nan 4.420 nan 0.000 0.268 49 P C -2.406 174.917 177.300 0.038 0.000 1.208 49 P CA -0.456 62.673 63.100 0.049 0.000 0.777 49 P CB -0.364 31.374 31.700 0.064 0.000 0.875 50 P HA 0.174 nan 4.420 nan 0.000 0.274 50 P C -0.773 176.551 177.300 0.040 0.000 1.231 50 P CA -0.005 63.109 63.100 0.023 0.000 0.790 50 P CB 1.058 32.783 31.700 0.043 0.000 0.951 51 E N 2.212 122.421 120.200 0.014 0.000 2.195 51 E HA 0.404 4.760 4.350 0.010 0.000 0.271 51 E C -2.355 174.269 176.600 0.040 0.000 0.923 51 E CA -2.385 54.035 56.400 0.034 0.000 0.790 51 E CB 0.898 30.610 29.700 0.020 0.000 1.155 51 E HN 0.340 nan 8.360 nan 0.000 0.402 52 P HA -0.075 nan 4.420 nan 0.000 0.266 52 P C -0.746 176.612 177.300 0.096 0.000 1.195 52 P CA -0.105 63.067 63.100 0.121 0.000 0.768 52 P CB 0.427 32.208 31.700 0.136 0.000 0.838 53 K N 3.804 124.280 120.400 0.126 0.000 2.451 53 K HA 0.031 4.357 4.320 0.010 0.000 0.280 53 K C 0.011 176.716 176.600 0.175 0.000 1.020 53 K CA 0.481 56.847 56.287 0.132 0.000 1.008 53 K CB 0.151 32.764 32.500 0.189 0.000 0.917 53 K HN 0.279 nan 8.250 nan 0.000 0.478 54 R N 5.193 125.779 120.500 0.144 0.000 2.490 54 R HA 0.192 4.537 4.340 0.010 0.000 0.280 54 R C -2.013 174.392 176.300 0.175 0.000 1.077 54 R CA -1.757 54.417 56.100 0.124 0.000 1.065 54 R CB 0.112 30.465 30.300 0.089 0.000 1.003 54 R HN 0.589 nan 8.270 nan 0.000 0.470 55 P HA -0.113 nan 4.420 nan 0.000 0.266 55 P C -1.043 176.275 177.300 0.031 0.000 1.193 55 P CA 0.304 63.341 63.100 -0.106 0.000 0.770 55 P CB 0.310 31.905 31.700 -0.174 0.000 0.836 56 W N 1.007 122.343 121.300 0.059 0.000 2.762 56 W HA 0.719 5.385 4.660 0.009 0.000 0.355 56 W C -0.765 175.781 176.519 0.045 0.000 1.124 56 W CA -0.929 56.447 57.345 0.052 0.000 1.141 56 W CB 0.046 29.545 29.460 0.065 0.000 1.432 56 W HN 0.365 nan 8.180 nan 0.000 0.586 57 S N 0.921 116.776 115.700 0.259 0.000 2.638 57 S HA 0.871 5.347 4.470 0.010 0.000 0.298 57 S C 0.273 175.021 174.600 0.246 0.000 1.111 57 S CA -0.098 58.188 58.200 0.145 0.000 1.027 57 S CB 1.009 64.266 63.200 0.096 0.000 1.064 57 S HN 2.183 nan 8.310 nan 0.000 0.525 58 G N -0.008 108.890 108.800 0.163 0.000 2.693 58 G HA2 -0.112 3.854 3.960 0.010 0.000 0.226 58 G HA3 -0.112 3.854 3.960 0.010 0.000 0.226 58 G C -0.796 174.255 174.900 0.252 0.000 1.354 58 G CA -0.431 44.771 45.100 0.170 0.000 0.873 58 G HN 1.658 nan 8.290 nan 0.000 0.562 59 V N 1.013 121.047 119.914 0.201 0.000 2.333 59 V HA 0.513 4.639 4.120 0.010 0.000 0.274 59 V C 0.987 177.192 176.094 0.186 0.000 1.028 59 V CA -0.246 62.186 62.300 0.219 0.000 0.851 59 V CB 1.065 32.973 31.823 0.142 0.000 1.000 59 V HN 0.816 nan 8.190 nan 0.000 0.456 60 L N 4.475 125.831 121.223 0.221 0.000 2.410 60 L HA 0.317 4.662 4.340 0.010 0.000 0.273 60 L C 0.585 177.459 176.870 0.006 0.000 1.152 60 L CA 0.036 54.852 54.840 -0.039 0.000 0.855 60 L CB 0.711 42.483 42.059 -0.479 0.000 1.129 60 L HN 0.690 nan 8.230 nan 0.000 0.463 61 D N 4.842 125.219 120.400 -0.039 0.000 2.325 61 D HA 0.183 4.829 4.640 0.010 0.000 0.251 61 D C -0.437 175.833 176.300 -0.049 0.000 1.196 61 D CA -0.042 53.943 54.000 -0.026 0.000 0.866 61 D CB 1.526 42.300 40.800 -0.044 0.000 1.101 61 D HN 0.669 nan 8.370 nan 0.000 0.476 62 A N 3.239 126.055 122.820 -0.006 0.000 3.154 62 A HA 0.208 4.534 4.320 0.010 0.000 0.310 62 A C 0.969 178.480 177.584 -0.122 0.000 1.093 62 A CA -0.462 51.561 52.037 -0.022 0.000 1.006 62 A CB -0.151 18.937 19.000 0.147 0.000 1.084 62 A HN 0.556 nan 8.150 nan 0.000 0.549 63 T N -3.109 111.352 114.554 -0.155 0.000 3.054 63 T HA 0.288 4.643 4.350 0.010 0.000 0.255 63 T C 0.648 175.192 174.700 -0.259 0.000 1.035 63 T CA 0.713 62.687 62.100 -0.210 0.000 0.941 63 T CB -0.235 68.541 68.868 -0.153 0.000 1.026 63 T HN 0.785 nan 8.240 nan 0.000 0.533 64 T N -0.706 113.691 114.554 -0.261 0.000 2.900 64 T HA 0.679 5.035 4.350 0.010 0.000 0.303 64 T C -0.897 173.643 174.700 -0.266 0.000 1.142 64 T CA -0.913 61.021 62.100 -0.277 0.000 1.007 64 T CB 0.999 69.776 68.868 -0.152 0.000 1.156 64 T HN -0.018 nan 8.240 nan 0.000 0.490 65 F N 2.074 121.954 119.950 -0.116 0.000 2.553 65 F HA 0.349 4.882 4.527 0.010 0.000 0.356 65 F C 1.457 177.154 175.800 -0.172 0.000 1.142 65 F CA -0.088 57.843 58.000 -0.116 0.000 1.322 65 F CB 0.503 39.464 39.000 -0.065 0.000 1.126 65 F HN 0.489 nan 8.300 nan 0.000 0.599 66 Q N 1.346 121.146 119.800 -0.001 0.000 2.162 66 Q HA 0.221 4.567 4.340 0.010 0.000 0.197 66 Q C -0.133 175.782 176.000 -0.142 0.000 1.013 66 Q CA -0.757 54.886 55.803 -0.266 0.000 1.040 66 Q CB 0.586 28.863 28.738 -0.767 0.000 1.114 66 Q HN 0.522 nan 8.270 nan 0.000 0.547 67 N N -0.358 118.227 118.700 -0.191 0.000 2.305 67 N HA -0.012 4.733 4.740 0.010 0.000 0.232 67 N C -0.521 174.968 175.510 -0.034 0.000 1.274 67 N CA 0.188 53.186 53.050 -0.087 0.000 0.870 67 N CB 0.307 38.761 38.487 -0.055 0.000 1.105 67 N HN 0.169 nan 8.380 nan 0.000 0.436 68 V N 1.263 121.136 119.914 -0.068 0.000 2.539 68 V HA 0.142 4.268 4.120 0.010 0.000 0.292 68 V C 0.441 176.490 176.094 -0.075 0.000 1.045 68 V CA -0.843 61.407 62.300 -0.083 0.000 0.945 68 V CB 1.378 33.116 31.823 -0.143 0.000 0.993 68 V HN 0.720 nan 8.190 nan 0.000 0.464 69 c N 4.016 122.588 118.600 -0.046 0.000 2.657 69 c HA 0.120 4.695 4.570 0.010 0.000 0.420 69 c C 0.470 174.503 174.090 -0.095 0.000 1.323 69 c CA -0.610 55.693 56.329 -0.044 0.000 1.894 69 c CB -1.020 41.496 42.510 0.009 0.000 2.681 69 c HN 0.742 nan 8.230 nan 0.000 0.613 70 Y N 3.926 124.067 120.300 -0.265 0.000 2.805 70 Y HA 0.171 4.727 4.550 0.010 0.000 0.331 70 Y C 0.878 176.736 175.900 -0.069 0.000 1.241 70 Y CA 1.165 59.088 58.100 -0.295 0.000 1.546 70 Y CB 0.106 38.137 38.460 -0.715 0.000 1.248 70 Y HN 0.744 nan 8.280 nan 0.000 0.559 71 Q N 3.963 123.735 119.800 -0.047 0.000 2.575 71 Q HA 0.227 4.573 4.340 0.010 0.000 0.290 71 Q C -1.806 174.340 176.000 0.243 0.000 0.963 71 Q CA -1.254 54.684 55.803 0.226 0.000 0.783 71 Q CB 1.313 30.152 28.738 0.169 0.000 1.467 71 Q HN 0.632 nan 8.270 nan 0.000 0.402 72 Y N 1.054 121.554 120.300 0.334 0.000 2.511 72 Y HA 0.368 4.924 4.550 0.010 0.000 0.332 72 Y C -1.019 175.046 175.900 0.275 0.000 1.177 72 Y CA 0.178 58.485 58.100 0.345 0.000 1.422 72 Y CB 0.931 39.702 38.460 0.518 0.000 1.271 72 Y HN 0.434 nan 8.280 nan 0.000 0.550 73 V N 6.781 126.379 119.914 -0.526 0.000 2.398 73 V HA 0.111 4.237 4.120 0.010 0.000 0.286 73 V C -0.537 175.221 176.094 -0.560 0.000 1.026 73 V CA -0.969 61.121 62.300 -0.349 0.000 0.868 73 V CB 1.467 33.157 31.823 -0.222 0.000 0.982 73 V HN 0.807 nan 8.190 nan 0.000 0.443 74 D N 3.135 123.485 120.400 -0.083 0.000 2.390 74 D HA 0.279 4.924 4.640 0.010 0.000 0.249 74 D C 0.882 177.224 176.300 0.069 0.000 1.144 74 D CA 0.416 54.500 54.000 0.140 0.000 0.880 74 D CB 1.158 42.191 40.800 0.388 0.000 1.182 74 D HN 0.734 nan 8.370 nan 0.000 0.451 75 T N 1.270 115.865 114.554 0.068 0.000 3.209 75 T HA 0.029 4.384 4.350 0.010 0.000 0.295 75 T C 1.439 176.131 174.700 -0.013 0.000 0.977 75 T CA -0.470 61.645 62.100 0.026 0.000 0.922 75 T CB -0.143 68.715 68.868 -0.018 0.000 1.152 75 T HN 0.280 nan 8.240 nan 0.000 0.527 76 L N 0.893 122.091 121.223 -0.042 0.000 2.081 76 L HA 0.091 4.437 4.340 0.010 0.000 0.212 76 L C -0.250 176.282 176.870 -0.564 0.000 1.080 76 L CA 1.712 56.333 54.840 -0.364 0.000 0.754 76 L CB -0.465 41.250 42.059 -0.572 0.000 0.893 76 L HN 0.430 nan 8.230 nan 0.000 0.433 77 Y N -0.555 119.752 120.300 0.013 0.000 2.662 77 Y HA 0.431 4.986 4.550 0.010 0.000 0.358 77 Y C -2.210 173.714 175.900 0.041 0.000 1.041 77 Y CA -3.481 54.602 58.100 -0.029 0.000 1.184 77 Y CB -0.164 38.222 38.460 -0.125 0.000 1.114 77 Y HN 0.029 nan 8.280 nan 0.000 0.650 78 P HA 0.057 nan 4.420 nan 0.000 0.260 78 P C 1.044 178.400 177.300 0.093 0.000 1.172 78 P CA 1.916 65.066 63.100 0.084 0.000 0.760 78 P CB 0.626 32.348 31.700 0.037 0.000 0.773 79 G N 2.765 111.609 108.800 0.074 0.000 2.234 79 G HA2 -0.303 3.663 3.960 0.010 0.000 0.260 79 G HA3 -0.303 3.663 3.960 0.010 0.000 0.260 79 G C 0.070 175.017 174.900 0.079 0.000 0.987 79 G CA -0.402 44.728 45.100 0.049 0.000 0.625 79 G HN 0.538 nan 8.290 nan 0.000 0.532 80 F N 2.375 122.284 119.950 -0.069 0.000 2.471 80 F HA 0.557 5.089 4.527 0.009 0.000 0.365 80 F C 1.432 177.135 175.800 -0.162 0.000 1.095 80 F CA -0.366 57.543 58.000 -0.153 0.000 1.174 80 F CB 1.217 40.095 39.000 -0.203 0.000 1.105 80 F HN 0.210 nan 8.300 nan 0.000 0.535 81 E N 4.059 123.873 120.200 -0.643 0.000 2.118 81 E HA -0.119 4.237 4.350 0.010 0.000 0.195 81 E C 2.226 178.333 176.600 -0.822 0.000 0.992 81 E CA 1.850 57.875 56.400 -0.625 0.000 0.804 81 E CB -0.477 28.916 29.700 -0.512 0.000 0.741 81 E HN 0.892 nan 8.360 nan 0.000 0.458 82 G N -0.798 106.939 108.800 -1.771 0.000 2.450 82 G HA2 -0.316 3.650 3.960 0.010 0.000 0.220 82 G HA3 -0.316 3.650 3.960 0.010 0.000 0.220 82 G C 1.683 176.581 174.900 -0.003 0.000 1.130 82 G CA 1.702 46.076 45.100 -1.211 0.000 0.760 82 G HN 0.500 nan 8.290 nan 0.000 0.557 83 T N -2.067 112.505 114.554 0.030 0.000 3.042 83 T HA 0.142 4.498 4.350 0.010 0.000 0.245 83 T C 1.903 176.764 174.700 0.268 0.000 1.029 83 T CA 0.702 63.106 62.100 0.507 0.000 1.120 83 T CB 0.032 69.266 68.868 0.611 0.000 0.917 83 T HN 0.154 nan 8.240 nan 0.000 0.467 84 E N 2.498 122.719 120.200 0.034 0.000 2.160 84 E HA -0.144 4.211 4.350 0.010 0.000 0.195 84 E C 2.217 178.722 176.600 -0.158 0.000 0.991 84 E CA 1.496 57.870 56.400 -0.044 0.000 0.810 84 E CB -0.555 29.086 29.700 -0.100 0.000 0.742 84 E HN 0.790 nan 8.360 nan 0.000 0.466 85 M N -2.133 117.273 119.600 -0.323 0.000 2.539 85 M HA -0.082 4.404 4.480 0.010 0.000 0.261 85 M C 1.142 177.024 176.300 -0.696 0.000 1.069 85 M CA 1.429 56.385 55.300 -0.573 0.000 1.081 85 M CB -0.460 31.682 32.600 -0.765 0.000 1.412 85 M HN 0.008 nan 8.290 nan 0.000 0.482 86 W N 0.597 121.843 121.300 -0.089 0.000 3.177 86 W HA 0.315 4.981 4.660 0.009 0.000 0.309 86 W C 0.323 176.775 176.519 -0.110 0.000 1.224 86 W CA -0.957 56.319 57.345 -0.116 0.000 1.718 86 W CB -0.142 29.298 29.460 -0.034 0.000 1.078 86 W HN 0.080 nan 8.180 nan 0.000 0.618 87 N N 1.739 120.476 118.700 0.061 0.000 2.444 87 N HA 0.121 4.867 4.740 0.010 0.000 0.255 87 N C -2.375 173.085 175.510 -0.083 0.000 1.255 87 N CA -1.325 51.729 53.050 0.007 0.000 0.933 87 N CB -0.155 38.331 38.487 -0.002 0.000 1.143 87 N HN -0.322 nan 8.380 nan 0.000 0.453 88 P HA 0.038 nan 4.420 nan 0.000 0.264 88 P C 0.229 177.444 177.300 -0.143 0.000 1.183 88 P CA 0.102 63.116 63.100 -0.142 0.000 0.763 88 P CB 0.325 31.936 31.700 -0.149 0.000 0.807 89 N N 2.175 120.777 118.700 -0.164 0.000 2.235 89 N HA 0.105 4.851 4.740 0.010 0.000 0.231 89 N C 0.057 175.496 175.510 -0.117 0.000 1.177 89 N CA -0.073 52.889 53.050 -0.146 0.000 0.874 89 N CB 0.454 38.834 38.487 -0.178 0.000 1.097 89 N HN 0.159 nan 8.380 nan 0.000 0.518 90 R N 0.126 120.555 120.500 -0.117 0.000 2.781 90 R HA 0.264 4.610 4.340 0.010 0.000 0.269 90 R C -0.769 175.470 176.300 -0.101 0.000 1.025 90 R CA -0.641 55.406 56.100 -0.090 0.000 0.914 90 R CB 1.247 31.501 30.300 -0.077 0.000 1.236 90 R HN 0.293 nan 8.270 nan 0.000 0.465 91 E N 1.459 121.608 120.200 -0.086 0.000 2.442 91 E HA 0.024 4.379 4.350 0.010 0.000 0.262 91 E C -0.472 176.060 176.600 -0.114 0.000 1.004 91 E CA -0.010 56.336 56.400 -0.090 0.000 0.928 91 E CB 0.569 30.230 29.700 -0.065 0.000 0.937 91 E HN 0.269 nan 8.360 nan 0.000 0.446 92 L N 3.385 124.511 121.223 -0.161 0.000 2.349 92 L HA 0.286 4.631 4.340 0.010 0.000 0.275 92 L C 0.242 177.059 176.870 -0.088 0.000 1.115 92 L CA -0.049 54.636 54.840 -0.258 0.000 0.820 92 L CB 1.231 42.924 42.059 -0.609 0.000 1.135 92 L HN 0.489 nan 8.230 nan 0.000 0.445 93 S N 1.250 116.949 115.700 -0.003 0.000 2.565 93 S HA 0.179 4.655 4.470 0.010 0.000 0.274 93 S C 0.105 174.722 174.600 0.027 0.000 1.144 93 S CA -0.685 57.577 58.200 0.104 0.000 0.849 93 S CB 1.537 64.758 63.200 0.034 0.000 1.103 93 S HN 0.741 nan 8.310 nan 0.000 0.455 94 E N 0.776 120.945 120.200 -0.052 0.000 2.347 94 E HA -0.032 4.323 4.350 0.010 0.000 0.196 94 E C -0.366 176.187 176.600 -0.079 0.000 1.008 94 E CA 0.411 56.712 56.400 -0.165 0.000 0.852 94 E CB 0.118 29.682 29.700 -0.226 0.000 0.783 94 E HN 0.523 nan 8.360 nan 0.000 0.505 95 D N 0.413 120.804 120.400 -0.016 0.000 2.483 95 D HA 0.009 4.654 4.640 0.010 0.000 0.220 95 D C 0.075 176.471 176.300 0.159 0.000 1.173 95 D CA -0.326 53.698 54.000 0.039 0.000 0.964 95 D CB 0.097 40.937 40.800 0.068 0.000 1.046 95 D HN 0.133 nan 8.370 nan 0.000 0.517 96 c N 2.546 121.208 118.600 0.103 0.000 4.015 96 c HA 0.379 4.955 4.570 0.010 0.000 0.323 96 c C 0.584 174.768 174.090 0.157 0.000 1.724 96 c CA -0.648 55.809 56.329 0.215 0.000 1.828 96 c CB -1.225 41.337 42.510 0.086 0.000 3.083 96 c HN 0.428 nan 8.230 nan 0.000 0.640 97 L N 2.601 123.662 121.223 -0.270 0.000 2.404 97 L HA 0.411 4.756 4.340 0.010 0.000 0.277 97 L C -0.935 175.412 176.870 -0.871 0.000 1.184 97 L CA 0.562 55.050 54.840 -0.588 0.000 1.013 97 L CB -0.657 40.853 42.059 -0.915 0.000 1.318 97 L HN 0.382 nan 8.230 nan 0.000 0.435 98 Y N 2.365 122.698 120.300 0.055 0.000 2.581 98 Y HA 0.648 5.204 4.550 0.009 0.000 0.345 98 Y C -0.131 175.958 175.900 0.314 0.000 1.036 98 Y CA -1.225 56.967 58.100 0.154 0.000 1.042 98 Y CB 2.025 40.506 38.460 0.035 0.000 1.289 98 Y HN 0.235 nan 8.280 nan 0.000 0.471 99 L N -0.301 121.083 121.223 0.268 0.000 2.303 99 L HA 0.790 5.136 4.340 0.010 0.000 0.256 99 L C -1.254 175.603 176.870 -0.022 0.000 1.034 99 L CA -1.153 53.715 54.840 0.047 0.000 0.832 99 L CB 1.678 43.562 42.059 -0.292 0.000 1.403 99 L HN 0.492 nan 8.230 nan 0.000 0.419 100 N N -0.256 118.429 118.700 -0.026 0.000 2.240 100 N HA 0.766 5.512 4.740 0.010 0.000 0.302 100 N C -1.557 173.842 175.510 -0.185 0.000 1.106 100 N CA -0.443 52.511 53.050 -0.161 0.000 0.778 100 N CB 2.895 41.274 38.487 -0.180 0.000 1.431 100 N HN 0.498 nan 8.380 nan 0.000 0.479 101 V N 0.982 120.709 119.914 -0.311 0.000 2.686 101 V HA 0.487 4.613 4.120 0.010 0.000 0.306 101 V C -0.990 175.030 176.094 -0.123 0.000 1.065 101 V CA -0.769 61.446 62.300 -0.142 0.000 0.894 101 V CB 2.558 34.180 31.823 -0.336 0.000 1.004 101 V HN 0.569 nan 8.190 nan 0.000 0.424 102 W N 2.775 124.160 121.300 0.142 0.000 2.656 102 W HA 0.709 5.376 4.660 0.011 0.000 0.327 102 W C -0.007 176.612 176.519 0.166 0.000 1.041 102 W CA -0.407 57.025 57.345 0.146 0.000 1.229 102 W CB 2.512 32.041 29.460 0.116 0.000 1.397 102 W HN 0.695 nan 8.180 nan 0.000 0.479 103 T N 0.320 115.116 114.554 0.402 0.000 2.883 103 T HA 0.510 4.866 4.350 0.010 0.000 0.301 103 T C -2.904 171.964 174.700 0.280 0.000 1.158 103 T CA -2.338 59.956 62.100 0.323 0.000 1.007 103 T CB 2.388 71.467 68.868 0.351 0.000 1.186 103 T HN -0.113 nan 8.240 nan 0.000 0.499 104 P HA 0.196 nan 4.420 nan 0.000 0.269 104 P C -1.551 175.887 177.300 0.229 0.000 1.217 104 P CA -0.105 63.108 63.100 0.190 0.000 0.783 104 P CB 0.107 31.888 31.700 0.136 0.000 0.898 105 Y N 3.001 123.353 120.300 0.087 0.000 2.326 105 Y HA 0.422 4.978 4.550 0.009 0.000 0.329 105 Y C -2.214 173.719 175.900 0.056 0.000 0.973 105 Y CA -2.474 55.671 58.100 0.075 0.000 1.162 105 Y CB 1.212 39.704 38.460 0.053 0.000 1.147 105 Y HN 0.323 nan 8.280 nan 0.000 0.456 106 P HA 0.234 nan 4.420 nan 0.000 0.274 106 P C -0.914 176.329 177.300 -0.096 0.000 1.237 106 P CA -0.438 62.438 63.100 -0.374 0.000 0.793 106 P CB 1.186 32.704 31.700 -0.303 0.000 0.977 107 R N 1.920 122.383 120.500 -0.062 0.000 2.583 107 R HA 0.067 4.413 4.340 0.010 0.000 0.274 107 R C -1.527 174.793 176.300 0.034 0.000 0.998 107 R CA -0.800 55.331 56.100 0.050 0.000 1.081 107 R CB -0.757 29.590 30.300 0.079 0.000 0.940 107 R HN 0.487 nan 8.270 nan 0.000 0.413 108 P HA -0.142 nan 4.420 nan 0.000 0.263 108 P C -0.111 177.205 177.300 0.027 0.000 1.175 108 P CA 0.374 63.502 63.100 0.048 0.000 0.761 108 P CB 0.696 32.435 31.700 0.065 0.000 0.794 109 A N 3.631 126.461 122.820 0.016 0.000 1.897 109 A HA -0.005 4.321 4.320 0.010 0.000 0.215 109 A C 1.087 178.675 177.584 0.006 0.000 1.181 109 A CA 1.280 53.321 52.037 0.006 0.000 0.620 109 A CB -0.705 18.297 19.000 0.003 0.000 0.821 109 A HN 0.703 nan 8.150 nan 0.000 0.443 110 S N -0.354 115.353 115.700 0.011 0.000 2.578 110 S HA 0.585 5.061 4.470 0.010 0.000 0.301 110 S C -3.009 171.600 174.600 0.015 0.000 1.091 110 S CA -1.822 56.382 58.200 0.007 0.000 1.032 110 S CB 0.984 64.186 63.200 0.003 0.000 1.064 110 S HN 0.034 nan 8.310 nan 0.000 0.508 111 P HA 0.067 nan 4.420 nan 0.000 0.257 111 P C -0.630 176.682 177.300 0.020 0.000 1.162 111 P CA 0.594 63.704 63.100 0.017 0.000 0.762 111 P CB -0.058 31.644 31.700 0.003 0.000 0.753 112 T N 5.808 120.386 114.554 0.040 0.000 2.824 112 T HA 0.396 4.752 4.350 0.010 0.000 0.280 112 T C -2.385 172.341 174.700 0.042 0.000 0.995 112 T CA -1.868 60.257 62.100 0.041 0.000 1.009 112 T CB 0.922 69.828 68.868 0.063 0.000 0.955 112 T HN 0.124 nan 8.240 nan 0.000 0.452 113 P HA 0.123 nan 4.420 nan 0.000 0.265 113 P C -0.861 176.474 177.300 0.058 0.000 1.187 113 P CA -0.199 62.913 63.100 0.021 0.000 0.766 113 P CB 0.389 32.084 31.700 -0.008 0.000 0.820 114 V N 5.072 125.036 119.914 0.084 0.000 2.472 114 V HA 0.322 4.448 4.120 0.010 0.000 0.290 114 V C 0.307 176.484 176.094 0.138 0.000 1.037 114 V CA -0.467 61.908 62.300 0.125 0.000 0.908 114 V CB 1.222 33.135 31.823 0.149 0.000 0.985 114 V HN 0.368 nan 8.190 nan 0.000 0.454 115 L N 5.754 127.073 121.223 0.160 0.000 2.313 115 L HA 0.601 4.947 4.340 0.010 0.000 0.283 115 L C -0.717 176.383 176.870 0.384 0.000 1.013 115 L CA -0.305 54.645 54.840 0.184 0.000 0.816 115 L CB 1.683 43.745 42.059 0.006 0.000 1.236 115 L HN 0.502 nan 8.230 nan 0.000 0.419 116 I N 3.133 123.973 120.570 0.450 0.000 2.362 116 I HA 0.235 4.410 4.170 0.010 0.000 0.289 116 I C -0.667 175.764 176.117 0.524 0.000 0.994 116 I CA -0.429 61.122 61.300 0.419 0.000 1.158 116 I CB 1.541 39.663 38.000 0.203 0.000 1.315 116 I HN 0.625 nan 8.210 nan 0.000 0.451 117 W N 8.520 129.945 121.300 0.209 0.000 2.390 117 W HA 0.588 5.253 4.660 0.008 0.000 0.312 117 W C -1.590 174.826 176.519 -0.171 0.000 1.123 117 W CA -0.640 56.580 57.345 -0.209 0.000 1.202 117 W CB 1.220 30.559 29.460 -0.200 0.000 1.251 117 W HN 0.345 nan 8.180 nan 0.000 0.511 118 I N 8.942 128.869 120.570 -1.071 0.000 2.411 118 I HA 0.079 4.255 4.170 0.010 0.000 0.284 118 I C -0.240 175.035 176.117 -1.404 0.000 1.012 118 I CA -1.122 59.617 61.300 -0.935 0.000 1.119 118 I CB 0.871 38.496 38.000 -0.625 0.000 1.261 118 I HN 0.314 nan 8.210 nan 0.000 0.448 119 Y N 4.739 124.498 120.300 -0.903 0.000 2.426 119 Y HA 0.678 5.234 4.550 0.009 0.000 0.344 119 Y C 0.718 176.403 175.900 -0.358 0.000 1.256 119 Y CA -0.799 56.880 58.100 -0.702 0.000 1.451 119 Y CB -0.031 38.244 38.460 -0.308 0.000 1.342 119 Y HN 0.516 nan 8.280 nan 0.000 0.600 120 G N -0.998 107.793 108.800 -0.014 0.000 2.568 120 G HA2 0.501 4.467 3.960 0.010 0.000 0.293 120 G HA3 0.501 4.467 3.960 0.010 0.000 0.293 120 G C 0.180 175.009 174.900 -0.119 0.000 1.347 120 G CA -0.943 44.072 45.100 -0.142 0.000 1.039 120 G HN 1.713 nan 8.290 nan 0.000 0.523 121 G N -2.688 105.882 108.800 -0.385 0.000 2.263 121 G HA2 0.412 4.378 3.960 0.010 0.000 0.207 121 G HA3 0.412 4.378 3.960 0.010 0.000 0.207 121 G C 1.000 175.370 174.900 -0.882 0.000 1.072 121 G CA 0.670 45.432 45.100 -0.564 0.000 0.800 121 G HN 2.278 nan 8.290 nan 0.000 0.491 122 G N -0.401 107.856 108.800 -0.905 0.000 2.269 122 G HA2 -0.133 3.832 3.960 0.010 0.000 0.277 122 G HA3 -0.133 3.832 3.960 0.010 0.000 0.277 122 G C 0.937 175.511 174.900 -0.543 0.000 1.008 122 G CA 0.857 45.172 45.100 -1.309 0.000 0.774 122 G HN 1.764 nan 8.290 nan 0.000 0.511 123 F N -3.544 116.250 119.950 -0.261 0.000 2.871 123 F HA -0.307 4.225 4.527 0.010 0.000 0.326 123 F C 1.445 177.323 175.800 0.129 0.000 0.675 123 F CA 2.098 60.069 58.000 -0.049 0.000 1.188 123 F CB -2.054 36.784 39.000 -0.270 0.000 1.567 123 F HN 0.900 nan 8.300 nan 0.000 0.325 124 Y N -1.129 119.277 120.300 0.177 0.000 2.500 124 Y HA 0.668 5.223 4.550 0.009 0.000 0.246 124 Y C 0.563 176.602 175.900 0.231 0.000 1.146 124 Y CA 0.212 58.454 58.100 0.236 0.000 1.230 124 Y CB -0.001 38.561 38.460 0.169 0.000 1.214 124 Y HN 0.095 nan 8.280 nan 0.000 0.526 125 S N -0.904 114.578 115.700 -0.362 0.000 2.672 125 S HA 0.884 5.360 4.470 0.010 0.000 0.271 125 S C -0.209 174.237 174.600 -0.257 0.000 1.171 125 S CA -0.479 57.572 58.200 -0.248 0.000 0.817 125 S CB 1.504 64.506 63.200 -0.330 0.000 1.150 125 S HN 1.359 nan 8.310 nan 0.000 0.478 126 G N -0.673 107.945 108.800 -0.304 0.000 2.392 126 G HA2 0.577 4.543 3.960 0.010 0.000 0.677 126 G HA3 0.577 4.543 3.960 0.010 0.000 0.677 126 G C -0.732 173.555 174.900 -1.022 0.000 1.334 126 G CA -0.215 44.520 45.100 -0.608 0.000 0.961 126 G HN 2.325 nan 8.290 nan 0.000 0.616 127 A N -1.422 120.559 122.820 -1.400 0.000 2.590 127 A HA 0.950 5.276 4.320 0.010 0.000 0.296 127 A C 0.464 177.823 177.584 -0.375 0.000 1.050 127 A CA 0.721 52.239 52.037 -0.865 0.000 0.697 127 A CB 0.706 19.474 19.000 -0.387 0.000 1.277 127 A HN 2.593 nan 8.150 nan 0.000 0.411 128 A N 0.557 123.410 122.820 0.055 0.000 2.238 128 A HA 0.306 4.632 4.320 0.010 0.000 0.208 128 A C 1.566 179.192 177.584 0.071 0.000 1.177 128 A CA 1.664 53.903 52.037 0.337 0.000 0.804 128 A CB -0.558 18.714 19.000 0.452 0.000 0.823 128 A HN 1.849 nan 8.150 nan 0.000 0.482 129 S N -0.536 114.966 115.700 -0.330 0.000 2.577 129 S HA 0.356 4.832 4.470 0.010 0.000 0.219 129 S C 0.429 174.611 174.600 -0.696 0.000 0.962 129 S CA -0.483 57.068 58.200 -1.081 0.000 0.921 129 S CB -0.533 61.934 63.200 -1.222 0.000 0.789 129 S HN 0.376 nan 8.310 nan 0.000 0.497 130 L N 2.020 122.995 121.223 -0.412 0.000 2.461 130 L HA 0.184 4.530 4.340 0.010 0.000 0.272 130 L C 1.186 177.746 176.870 -0.518 0.000 1.197 130 L CA -0.456 54.081 54.840 -0.506 0.000 0.836 130 L CB 0.201 41.839 42.059 -0.701 0.000 1.105 130 L HN 0.066 nan 8.230 nan 0.000 0.477 131 D N 0.934 121.062 120.400 -0.453 0.000 2.149 131 D HA -0.143 4.502 4.640 0.010 0.000 0.198 131 D C 1.956 177.984 176.300 -0.453 0.000 0.990 131 D CA 1.262 55.053 54.000 -0.347 0.000 0.839 131 D CB 0.000 40.632 40.800 -0.280 0.000 0.948 131 D HN 0.516 nan 8.370 nan 0.000 0.460 132 V N -1.519 117.971 119.914 -0.705 0.000 3.141 132 V HA -0.136 3.990 4.120 0.010 0.000 0.265 132 V C 0.932 176.423 176.094 -1.006 0.000 1.126 132 V CA 0.996 62.839 62.300 -0.761 0.000 1.141 132 V CB -1.114 30.223 31.823 -0.810 0.000 0.743 132 V HN 0.077 nan 8.190 nan 0.000 0.492 133 Y N 0.064 119.810 120.300 -0.923 0.000 2.607 133 Y HA 0.452 5.007 4.550 0.009 0.000 0.266 133 Y C 0.832 176.147 175.900 -0.974 0.000 1.178 133 Y CA -2.002 55.162 58.100 -1.559 0.000 1.226 133 Y CB -0.705 37.221 38.460 -0.891 0.000 1.144 133 Y HN 0.223 nan 8.280 nan 0.000 0.528 134 D N 0.968 121.080 120.400 -0.480 0.000 2.426 134 D HA 0.012 4.657 4.640 0.010 0.000 0.261 134 D C 1.394 177.364 176.300 -0.550 0.000 1.245 134 D CA 0.575 54.362 54.000 -0.356 0.000 0.917 134 D CB 1.237 41.969 40.800 -0.114 0.000 1.123 134 D HN 0.491 nan 8.370 nan 0.000 0.508 135 G N 4.015 111.861 108.800 -1.589 0.000 2.920 135 G HA2 -0.169 3.797 3.960 0.010 0.000 0.208 135 G HA3 -0.169 3.797 3.960 0.010 0.000 0.208 135 G C 1.513 175.834 174.900 -0.966 0.000 1.159 135 G CA 0.298 44.657 45.100 -1.236 0.000 0.784 135 G HN 0.625 nan 8.290 nan 0.000 0.535 136 R N -0.515 119.366 120.500 -1.031 0.000 2.105 136 R HA -0.053 4.293 4.340 0.010 0.000 0.239 136 R C 1.745 177.754 176.300 -0.484 0.000 1.135 136 R CA 1.411 57.151 56.100 -0.600 0.000 0.967 136 R CB -0.732 29.236 30.300 -0.553 0.000 0.861 136 R HN 0.302 nan 8.270 nan 0.000 0.442 137 F N 1.491 121.354 119.950 -0.144 0.000 2.113 137 F HA 0.002 4.535 4.527 0.010 0.000 0.297 137 F C 2.327 178.071 175.800 -0.095 0.000 1.103 137 F CA 0.860 58.799 58.000 -0.102 0.000 1.248 137 F CB -0.582 38.349 39.000 -0.115 0.000 0.999 137 F HN -0.111 nan 8.300 nan 0.000 0.475 138 L N -0.280 120.963 121.223 0.033 0.000 2.083 138 L HA -0.191 4.154 4.340 0.010 0.000 0.209 138 L C 2.720 179.592 176.870 0.004 0.000 1.083 138 L CA 1.094 55.920 54.840 -0.024 0.000 0.752 138 L CB -0.886 41.107 42.059 -0.110 0.000 0.899 138 L HN 0.190 nan 8.230 nan 0.000 0.433 139 A N -0.910 121.917 122.820 0.010 0.000 1.858 139 A HA -0.248 4.078 4.320 0.010 0.000 0.216 139 A C 2.268 179.892 177.584 0.068 0.000 1.190 139 A CA 1.554 53.637 52.037 0.076 0.000 0.617 139 A CB -0.537 18.550 19.000 0.145 0.000 0.827 139 A HN 0.370 nan 8.150 nan 0.000 0.443 140 Q N -0.043 119.780 119.800 0.038 0.000 2.016 140 Q HA -0.095 4.250 4.340 0.010 0.000 0.200 140 Q C 2.224 178.254 176.000 0.050 0.000 0.978 140 Q CA 2.149 57.980 55.803 0.046 0.000 0.833 140 Q CB -0.454 28.295 28.738 0.017 0.000 0.895 140 Q HN 0.397 nan 8.270 nan 0.000 0.427 141 V N 1.344 121.287 119.914 0.049 0.000 2.453 141 V HA -0.129 3.997 4.120 0.010 0.000 0.247 141 V C 1.699 177.809 176.094 0.025 0.000 1.048 141 V CA 1.658 63.981 62.300 0.039 0.000 1.049 141 V CB -0.204 31.643 31.823 0.040 0.000 0.672 141 V HN 0.259 nan 8.190 nan 0.000 0.457 142 E N -0.322 119.891 120.200 0.022 0.000 2.498 142 E HA 0.216 4.572 4.350 0.010 0.000 0.203 142 E C 1.620 178.237 176.600 0.029 0.000 1.013 142 E CA 0.675 57.084 56.400 0.016 0.000 0.927 142 E CB 0.516 30.217 29.700 0.001 0.000 1.012 142 E HN 0.574 nan 8.360 nan 0.000 0.482 143 G N 1.898 110.725 108.800 0.045 0.000 2.249 143 G HA2 -0.301 3.664 3.960 0.010 0.000 0.273 143 G HA3 -0.301 3.664 3.960 0.010 0.000 0.273 143 G C 0.448 175.389 174.900 0.068 0.000 1.036 143 G CA 0.465 45.601 45.100 0.061 0.000 0.824 143 G HN 0.456 nan 8.290 nan 0.000 0.504 144 A N -0.977 121.883 122.820 0.067 0.000 2.302 144 A HA 0.764 5.090 4.320 0.010 0.000 0.285 144 A C 0.371 178.032 177.584 0.128 0.000 1.105 144 A CA -0.154 51.929 52.037 0.075 0.000 0.816 144 A CB 1.485 20.510 19.000 0.041 0.000 1.067 144 A HN 1.090 nan 8.150 nan 0.000 0.489 145 V N 2.739 122.738 119.914 0.140 0.000 2.333 145 V HA 0.333 4.459 4.120 0.010 0.000 0.274 145 V C -0.200 176.025 176.094 0.218 0.000 1.028 145 V CA -0.056 62.358 62.300 0.190 0.000 0.851 145 V CB 0.631 32.557 31.823 0.171 0.000 1.000 145 V HN 0.716 nan 8.190 nan 0.000 0.456 146 L N 6.353 127.758 121.223 0.305 0.000 2.329 146 L HA 0.761 5.107 4.340 0.010 0.000 0.279 146 L C -0.794 176.363 176.870 0.478 0.000 1.014 146 L CA -0.260 54.809 54.840 0.382 0.000 0.814 146 L CB 1.863 44.143 42.059 0.370 0.000 1.257 146 L HN 0.414 nan 8.230 nan 0.000 0.424 147 V N 3.062 123.236 119.914 0.432 0.000 2.656 147 V HA 0.686 4.812 4.120 0.010 0.000 0.307 147 V C -0.565 175.780 176.094 0.418 0.000 1.051 147 V CA -0.446 62.067 62.300 0.356 0.000 0.893 147 V CB 2.062 34.018 31.823 0.222 0.000 0.999 147 V HN 0.851 nan 8.190 nan 0.000 0.426 148 S N 5.217 121.157 115.700 0.400 0.000 2.541 148 S HA 0.883 5.359 4.470 0.010 0.000 0.280 148 S C -0.855 173.895 174.600 0.250 0.000 1.112 148 S CA -0.809 57.638 58.200 0.410 0.000 0.925 148 S CB 2.244 65.824 63.200 0.632 0.000 1.067 148 S HN 0.877 nan 8.310 nan 0.000 0.479 149 M N 1.433 121.139 119.600 0.177 0.000 2.591 149 M HA 0.652 5.137 4.480 0.010 0.000 0.306 149 M C -1.778 174.714 176.300 0.319 0.000 1.190 149 M CA -0.546 54.842 55.300 0.146 0.000 0.889 149 M CB 1.272 33.792 32.600 -0.134 0.000 1.728 149 M HN 0.551 nan 8.290 nan 0.000 0.458 150 N N 2.570 121.525 118.700 0.425 0.000 2.524 150 N HA 0.620 5.366 4.740 0.010 0.000 0.283 150 N C -1.482 174.289 175.510 0.435 0.000 1.142 150 N CA 0.120 53.445 53.050 0.457 0.000 0.984 150 N CB 0.658 39.357 38.487 0.354 0.000 1.155 150 N HN 0.711 nan 8.380 nan 0.000 0.467 151 Y N -1.902 118.560 120.300 0.269 0.000 2.524 151 Y HA 0.553 5.108 4.550 0.010 0.000 0.347 151 Y C -0.080 175.954 175.900 0.223 0.000 1.005 151 Y CA -1.315 56.903 58.100 0.196 0.000 1.025 151 Y CB 0.900 39.411 38.460 0.084 0.000 1.275 151 Y HN 0.201 nan 8.280 nan 0.000 0.460 152 R N 1.978 122.629 120.500 0.253 0.000 2.570 152 R HA 0.437 4.783 4.340 0.010 0.000 0.277 152 R C -0.195 176.281 176.300 0.294 0.000 1.039 152 R CA 0.043 56.250 56.100 0.177 0.000 1.065 152 R CB 0.641 31.004 30.300 0.105 0.000 0.964 152 R HN 0.718 nan 8.270 nan 0.000 0.428 153 V N -0.280 119.832 119.914 0.330 0.000 3.181 153 V HA 0.877 5.003 4.120 0.010 0.000 0.314 153 V C 0.782 177.211 176.094 0.558 0.000 1.173 153 V CA -0.196 62.417 62.300 0.522 0.000 1.052 153 V CB 1.127 33.157 31.823 0.344 0.000 1.123 153 V HN 0.974 nan 8.190 nan 0.000 0.454 154 G N 1.519 110.687 108.800 0.614 0.000 2.574 154 G HA2 -0.290 3.676 3.960 0.010 0.000 0.282 154 G HA3 -0.290 3.676 3.960 0.010 0.000 0.282 154 G C 1.015 176.098 174.900 0.305 0.000 1.257 154 G CA 1.548 46.945 45.100 0.495 0.000 0.956 154 G HN 2.338 nan 8.290 nan 0.000 0.560 155 T N -1.864 112.605 114.554 -0.143 0.000 2.746 155 T HA -0.066 4.290 4.350 0.010 0.000 0.267 155 T C 2.155 176.709 174.700 -0.242 0.000 1.039 155 T CA 2.526 64.278 62.100 -0.580 0.000 1.142 155 T CB -0.432 67.927 68.868 -0.849 0.000 0.866 155 T HN 0.595 nan 8.240 nan 0.000 0.444 156 F N 2.371 122.334 119.950 0.022 0.000 2.154 156 F HA 0.126 4.659 4.527 0.009 0.000 0.301 156 F C 2.708 178.465 175.800 -0.073 0.000 1.087 156 F CA 1.138 59.091 58.000 -0.078 0.000 1.274 156 F CB -0.896 38.061 39.000 -0.072 0.000 1.009 156 F HN 0.413 nan 8.300 nan 0.000 0.485 157 G N -2.697 106.148 108.800 0.074 0.000 2.921 157 G HA2 0.096 4.062 3.960 0.010 0.000 0.213 157 G HA3 0.096 4.062 3.960 0.010 0.000 0.213 157 G C 0.779 175.106 174.900 -0.956 0.000 1.143 157 G CA 0.100 44.986 45.100 -0.356 0.000 0.764 157 G HN 0.342 nan 8.290 nan 0.000 0.542 158 F N -0.557 119.483 119.950 0.150 0.000 2.915 158 F HA 0.420 4.953 4.527 0.010 0.000 0.347 158 F C 0.491 176.383 175.800 0.152 0.000 1.104 158 F CA -0.961 57.113 58.000 0.123 0.000 1.126 158 F CB 0.390 39.469 39.000 0.132 0.000 1.145 158 F HN -0.079 nan 8.300 nan 0.000 0.541 159 L N 2.113 123.404 121.223 0.114 0.000 2.455 159 L HA 0.576 4.922 4.340 0.010 0.000 0.272 159 L C -0.103 176.761 176.870 -0.011 0.000 1.174 159 L CA -0.011 54.824 54.840 -0.008 0.000 0.869 159 L CB 0.504 42.294 42.059 -0.447 0.000 1.130 159 L HN 0.114 nan 8.230 nan 0.000 0.474 160 A N 5.997 128.844 122.820 0.045 0.000 2.449 160 A HA 0.675 5.001 4.320 0.010 0.000 0.302 160 A C -1.137 176.427 177.584 -0.033 0.000 1.048 160 A CA -0.588 51.443 52.037 -0.009 0.000 0.708 160 A CB 1.434 20.459 19.000 0.042 0.000 1.274 160 A HN 0.722 nan 8.150 nan 0.000 0.410 161 L N 2.831 124.017 121.223 -0.062 0.000 2.506 161 L HA 0.311 4.657 4.340 0.010 0.000 0.247 161 L C -2.447 174.406 176.870 -0.027 0.000 1.141 161 L CA -1.725 53.084 54.840 -0.052 0.000 0.973 161 L CB 1.388 43.398 42.059 -0.083 0.000 1.319 161 L HN 0.408 nan 8.230 nan 0.000 0.455 162 P HA -0.024 nan 4.420 nan 0.000 0.259 162 P C 1.006 178.305 177.300 -0.002 0.000 1.163 162 P CA 1.131 64.230 63.100 -0.001 0.000 0.760 162 P CB 0.672 32.373 31.700 0.001 0.000 0.762 163 G N 1.926 110.728 108.800 0.004 0.000 2.258 163 G HA2 -0.252 3.714 3.960 0.010 0.000 0.233 163 G HA3 -0.252 3.714 3.960 0.010 0.000 0.233 163 G C 0.503 175.404 174.900 0.002 0.000 1.006 163 G CA 0.232 45.334 45.100 0.003 0.000 0.620 163 G HN 0.814 nan 8.290 nan 0.000 0.511 164 S N -0.117 115.580 115.700 -0.004 0.000 2.617 164 S HA 0.571 5.047 4.470 0.010 0.000 0.259 164 S C 1.262 175.864 174.600 0.004 0.000 1.301 164 S CA 0.672 58.868 58.200 -0.006 0.000 0.984 164 S CB 1.749 64.936 63.200 -0.021 0.000 0.954 164 S HN 0.821 nan 8.310 nan 0.000 0.572 165 R N -0.118 120.386 120.500 0.007 0.000 2.225 165 R HA 0.161 4.506 4.340 0.010 0.000 0.194 165 R C 1.081 177.396 176.300 0.025 0.000 0.957 165 R CA 0.537 56.648 56.100 0.017 0.000 1.042 165 R CB -0.181 30.129 30.300 0.017 0.000 1.004 165 R HN 0.746 nan 8.270 nan 0.000 0.509 166 E N 0.263 120.475 120.200 0.020 0.000 2.385 166 E HA 0.146 4.502 4.350 0.010 0.000 0.194 166 E C -0.100 176.531 176.600 0.051 0.000 1.013 166 E CA 0.766 57.190 56.400 0.039 0.000 0.866 166 E CB 1.138 30.859 29.700 0.034 0.000 0.832 166 E HN 0.338 nan 8.360 nan 0.000 0.500 167 A N 1.099 123.923 122.820 0.006 0.000 3.422 167 A HA 0.259 4.585 4.320 0.010 0.000 0.271 167 A C -2.139 175.438 177.584 -0.013 0.000 1.104 167 A CA -0.869 51.157 52.037 -0.017 0.000 0.899 167 A CB 0.442 19.336 19.000 -0.177 0.000 1.309 167 A HN -0.073 nan 8.150 nan 0.000 0.580 168 P HA 0.117 nan 4.420 nan 0.000 0.230 168 P C 0.919 178.234 177.300 0.025 0.000 1.158 168 P CA 1.813 64.927 63.100 0.023 0.000 0.769 168 P CB 0.123 31.846 31.700 0.039 0.000 0.807 169 G N 0.896 109.707 108.800 0.019 0.000 2.730 169 G HA2 -0.191 3.775 3.960 0.010 0.000 0.686 169 G HA3 -0.191 3.775 3.960 0.010 0.000 0.686 169 G C -0.092 174.802 174.900 -0.010 0.000 1.343 169 G CA -0.308 44.805 45.100 0.022 0.000 0.826 169 G HN 0.155 nan 8.290 nan 0.000 0.582 170 N N -2.351 116.333 118.700 -0.027 0.000 2.713 170 N HA -0.285 4.461 4.740 0.010 0.000 0.251 170 N C 1.887 177.258 175.510 -0.232 0.000 1.117 170 N CA 2.380 55.353 53.050 -0.128 0.000 0.770 170 N CB -1.693 36.668 38.487 -0.210 0.000 1.137 170 N HN 1.941 nan 8.380 nan 0.000 0.566 171 V N -2.653 117.119 119.914 -0.236 0.000 2.594 171 V HA -0.023 4.103 4.120 0.010 0.000 0.253 171 V C 2.290 178.265 176.094 -0.197 0.000 1.069 171 V CA 2.277 64.487 62.300 -0.151 0.000 1.082 171 V CB -0.877 30.896 31.823 -0.084 0.000 0.680 171 V HN 0.283 nan 8.190 nan 0.000 0.469 172 G N 0.357 108.852 108.800 -0.509 0.000 2.422 172 G HA2 -0.124 3.842 3.960 0.010 0.000 0.218 172 G HA3 -0.124 3.842 3.960 0.010 0.000 0.218 172 G C 1.543 176.434 174.900 -0.016 0.000 1.140 172 G CA 1.087 46.032 45.100 -0.258 0.000 0.775 172 G HN 0.541 nan 8.290 nan 0.000 0.545 173 L N -0.193 120.963 121.223 -0.113 0.000 2.156 173 L HA 0.100 4.445 4.340 0.010 0.000 0.208 173 L C 2.770 179.676 176.870 0.059 0.000 1.095 173 L CA 0.316 55.049 54.840 -0.178 0.000 0.770 173 L CB -0.239 41.367 42.059 -0.755 0.000 0.914 173 L HN 0.179 nan 8.230 nan 0.000 0.439 174 L N -0.649 120.623 121.223 0.082 0.000 2.141 174 L HA -0.179 4.167 4.340 0.010 0.000 0.209 174 L C 2.133 179.140 176.870 0.228 0.000 1.094 174 L CA 0.757 55.739 54.840 0.237 0.000 0.763 174 L CB -0.541 41.629 42.059 0.185 0.000 0.908 174 L HN 0.266 nan 8.230 nan 0.000 0.437 175 D N -0.015 120.505 120.400 0.200 0.000 2.117 175 D HA -0.201 4.444 4.640 0.010 0.000 0.197 175 D C 2.256 178.751 176.300 0.324 0.000 0.987 175 D CA 1.184 55.382 54.000 0.329 0.000 0.829 175 D CB -0.147 40.853 40.800 0.334 0.000 0.961 175 D HN 0.403 nan 8.370 nan 0.000 0.460 176 Q N 0.184 120.092 119.800 0.180 0.000 2.050 176 Q HA -0.129 4.217 4.340 0.010 0.000 0.202 176 Q C 2.297 178.309 176.000 0.021 0.000 0.980 176 Q CA 1.027 56.856 55.803 0.042 0.000 0.840 176 Q CB -0.057 28.703 28.738 0.037 0.000 0.898 176 Q HN 0.184 nan 8.270 nan 0.000 0.424 177 R N 0.530 121.141 120.500 0.185 0.000 2.081 177 R HA -0.178 4.168 4.340 0.010 0.000 0.235 177 R C 2.204 178.574 176.300 0.116 0.000 1.131 177 R CA 1.069 57.261 56.100 0.154 0.000 0.960 177 R CB -0.237 30.254 30.300 0.318 0.000 0.856 177 R HN 0.221 nan 8.270 nan 0.000 0.436 178 L N 0.690 122.023 121.223 0.183 0.000 2.083 178 L HA -0.053 4.293 4.340 0.010 0.000 0.209 178 L C 2.211 179.156 176.870 0.125 0.000 1.083 178 L CA 2.110 57.090 54.840 0.232 0.000 0.752 178 L CB -0.634 41.659 42.059 0.389 0.000 0.899 178 L HN 0.253 nan 8.230 nan 0.000 0.433 179 A N -0.739 121.963 122.820 -0.197 0.000 1.969 179 A HA -0.108 4.217 4.320 0.010 0.000 0.218 179 A C 2.204 179.731 177.584 -0.096 0.000 1.169 179 A CA 1.646 53.360 52.037 -0.539 0.000 0.635 179 A CB -0.728 17.700 19.000 -0.953 0.000 0.810 179 A HN 0.498 nan 8.150 nan 0.000 0.445 180 L N -0.937 120.253 121.223 -0.055 0.000 2.093 180 L HA -0.224 4.122 4.340 0.010 0.000 0.208 180 L C 2.760 179.686 176.870 0.094 0.000 1.085 180 L CA 1.411 56.258 54.840 0.011 0.000 0.755 180 L CB -0.750 41.278 42.059 -0.052 0.000 0.904 180 L HN 0.510 nan 8.230 nan 0.000 0.435 181 Q N -1.022 118.846 119.800 0.114 0.000 2.123 181 Q HA -0.236 4.110 4.340 0.010 0.000 0.199 181 Q C 2.035 178.133 176.000 0.164 0.000 0.966 181 Q CA 1.699 57.576 55.803 0.124 0.000 0.845 181 Q CB -0.276 28.538 28.738 0.127 0.000 0.907 181 Q HN 0.544 nan 8.270 nan 0.000 0.439 182 W N 0.806 122.125 121.300 0.032 0.000 2.342 182 W HA -0.216 4.450 4.660 0.009 0.000 0.297 182 W C 1.791 178.342 176.519 0.054 0.000 1.213 182 W CA 1.241 58.622 57.345 0.060 0.000 1.251 182 W CB -0.023 29.472 29.460 0.058 0.000 1.136 182 W HN -0.155 nan 8.180 nan 0.000 0.526 183 V N 0.851 120.984 119.914 0.365 0.000 2.358 183 V HA -0.322 3.804 4.120 0.010 0.000 0.246 183 V C 2.567 178.677 176.094 0.027 0.000 1.047 183 V CA 2.011 64.443 62.300 0.220 0.000 1.035 183 V CB -0.935 31.038 31.823 0.250 0.000 0.658 183 V HN 0.184 nan 8.190 nan 0.000 0.452 184 Q N -0.194 119.633 119.800 0.045 0.000 2.096 184 Q HA -0.275 4.071 4.340 0.010 0.000 0.204 184 Q C 2.247 178.218 176.000 -0.047 0.000 0.982 184 Q CA 2.235 58.050 55.803 0.019 0.000 0.850 184 Q CB -0.248 28.509 28.738 0.032 0.000 0.901 184 Q HN 0.817 nan 8.270 nan 0.000 0.422 185 E N -0.261 119.873 120.200 -0.109 0.000 2.122 185 E HA -0.066 4.290 4.350 0.010 0.000 0.190 185 E C 1.148 177.593 176.600 -0.259 0.000 0.977 185 E CA 0.666 56.968 56.400 -0.163 0.000 0.820 185 E CB 0.293 29.899 29.700 -0.157 0.000 0.770 185 E HN 0.301 nan 8.360 nan 0.000 0.462 186 N N 0.029 118.454 118.700 -0.459 0.000 2.227 186 N HA 0.000 4.746 4.740 0.010 0.000 0.196 186 N C 1.501 176.877 175.510 -0.223 0.000 1.142 186 N CA 0.032 52.783 53.050 -0.499 0.000 0.887 186 N CB 0.408 38.280 38.487 -1.025 0.000 1.022 186 N HN 0.135 nan 8.380 nan 0.000 0.500 187 I N 2.522 123.016 120.570 -0.127 0.000 2.335 187 I HA -0.184 3.992 4.170 0.010 0.000 0.251 187 I C 2.239 178.463 176.117 0.179 0.000 1.129 187 I CA 0.647 62.025 61.300 0.130 0.000 1.402 187 I CB -0.261 37.808 38.000 0.114 0.000 1.069 187 I HN 0.067 nan 8.210 nan 0.000 0.424 188 A N 0.314 123.162 122.820 0.047 0.000 1.940 188 A HA -0.191 4.135 4.320 0.010 0.000 0.219 188 A C 2.487 180.063 177.584 -0.013 0.000 1.176 188 A CA 1.758 53.807 52.037 0.020 0.000 0.631 188 A CB -1.205 17.781 19.000 -0.023 0.000 0.814 188 A HN 0.496 nan 8.150 nan 0.000 0.446 189 A N -1.634 121.131 122.820 -0.092 0.000 2.076 189 A HA 0.018 4.344 4.320 0.010 0.000 0.220 189 A C 1.523 178.870 177.584 -0.395 0.000 1.160 189 A CA 1.369 53.231 52.037 -0.291 0.000 0.653 189 A CB -0.661 18.048 19.000 -0.486 0.000 0.801 189 A HN 0.529 nan 8.150 nan 0.000 0.455 190 F N -1.643 118.260 119.950 -0.079 0.000 2.678 190 F HA 0.402 4.935 4.527 0.010 0.000 0.305 190 F C 1.715 177.524 175.800 0.015 0.000 1.090 190 F CA 0.452 58.426 58.000 -0.044 0.000 1.272 190 F CB 0.352 39.340 39.000 -0.020 0.000 1.060 190 F HN 0.307 nan 8.300 nan 0.000 0.576 191 G N 0.357 109.242 108.800 0.142 0.000 2.141 191 G HA2 -0.160 3.805 3.960 0.010 0.000 0.231 191 G HA3 -0.160 3.805 3.960 0.010 0.000 0.231 191 G C 0.559 175.526 174.900 0.111 0.000 0.984 191 G CA -0.295 44.866 45.100 0.101 0.000 0.660 191 G HN 0.711 nan 8.290 nan 0.000 0.525 192 G N -0.447 108.438 108.800 0.142 0.000 2.420 192 G HA2 0.487 4.453 3.960 0.010 0.000 0.284 192 G HA3 0.487 4.453 3.960 0.010 0.000 0.284 192 G C -0.705 174.242 174.900 0.079 0.000 1.177 192 G CA 0.215 45.387 45.100 0.120 0.000 0.841 192 G HN 0.221 nan 8.290 nan 0.000 0.527 193 D N 1.855 122.291 120.400 0.060 0.000 2.380 193 D HA 0.249 4.895 4.640 0.010 0.000 0.230 193 D C -1.004 175.323 176.300 0.046 0.000 1.154 193 D CA -2.398 51.621 54.000 0.031 0.000 0.859 193 D CB 1.830 42.630 40.800 -0.000 0.000 1.045 193 D HN 0.076 nan 8.370 nan 0.000 0.495 194 P HA -0.104 nan 4.420 nan 0.000 0.228 194 P C 1.098 178.481 177.300 0.138 0.000 1.151 194 P CA 0.725 63.881 63.100 0.093 0.000 0.770 194 P CB 0.172 31.907 31.700 0.059 0.000 0.786 195 M N -1.277 118.336 119.600 0.021 0.000 2.494 195 M HA 0.098 4.584 4.480 0.010 0.000 0.232 195 M C 0.650 176.609 176.300 -0.569 0.000 1.137 195 M CA 0.426 55.645 55.300 -0.134 0.000 1.012 195 M CB 0.179 32.711 32.600 -0.114 0.000 1.567 195 M HN -0.170 nan 8.290 nan 0.000 0.486 196 S N 1.053 116.603 115.700 -0.250 0.000 2.312 196 S HA 0.432 4.908 4.470 0.010 0.000 0.173 196 S C -1.037 173.608 174.600 0.075 0.000 1.488 196 S CA -0.494 57.573 58.200 -0.221 0.000 1.239 196 S CB 0.531 63.644 63.200 -0.144 0.000 1.215 196 S HN 0.011 nan 8.310 nan 0.000 0.438 197 V N 3.979 124.112 119.914 0.364 0.000 2.409 197 V HA 0.543 4.669 4.120 0.010 0.000 0.291 197 V C 0.001 176.290 176.094 0.325 0.000 1.020 197 V CA -0.445 62.052 62.300 0.328 0.000 0.848 197 V CB 1.897 33.920 31.823 0.334 0.000 0.990 197 V HN 0.720 nan 8.190 nan 0.000 0.430 198 T N 6.706 121.393 114.554 0.223 0.000 2.770 198 T HA 0.600 4.956 4.350 0.010 0.000 0.283 198 T C -0.266 174.574 174.700 0.233 0.000 0.988 198 T CA -0.313 61.919 62.100 0.221 0.000 0.957 198 T CB 0.806 69.761 68.868 0.146 0.000 0.930 198 T HN 0.346 nan 8.240 nan 0.000 0.443 199 L N 5.012 126.341 121.223 0.176 0.000 2.312 199 L HA 0.707 5.053 4.340 0.010 0.000 0.281 199 L C -0.449 176.618 176.870 0.327 0.000 1.070 199 L CA -0.909 54.010 54.840 0.132 0.000 0.805 199 L CB 0.419 42.333 42.059 -0.241 0.000 1.174 199 L HN 0.619 nan 8.230 nan 0.000 0.434 200 F N 0.593 120.611 119.950 0.112 0.000 2.601 200 F HA 0.976 5.508 4.527 0.009 0.000 0.309 200 F C -0.292 175.522 175.800 0.024 0.000 1.089 200 F CA -1.388 56.732 58.000 0.200 0.000 0.940 200 F CB 1.632 40.892 39.000 0.434 0.000 1.273 200 F HN 0.482 nan 8.300 nan 0.000 0.450 201 G N 1.075 109.765 108.800 -0.184 0.000 2.623 201 G HA2 0.497 4.463 3.960 0.010 0.000 0.290 201 G HA3 0.497 4.463 3.960 0.010 0.000 0.290 201 G C -2.531 172.136 174.900 -0.387 0.000 1.437 201 G CA -0.797 43.753 45.100 -0.917 0.000 0.798 201 G HN 0.872 nan 8.290 nan 0.000 0.488 202 E N 0.170 120.084 120.200 -0.477 0.000 2.266 202 E HA 0.627 4.983 4.350 0.010 0.000 0.268 202 E C 0.606 177.125 176.600 -0.135 0.000 0.879 202 E CA 0.226 56.583 56.400 -0.073 0.000 0.762 202 E CB 2.185 31.997 29.700 0.187 0.000 1.199 202 E HN 0.797 nan 8.360 nan 0.000 0.422 203 S N 2.542 118.232 115.700 -0.018 0.000 4.139 203 S HA -0.392 4.084 4.470 0.010 0.000 0.603 203 S C 1.439 176.096 174.600 0.096 0.000 1.897 203 S CA 2.098 60.352 58.200 0.089 0.000 4.241 203 S CB -1.609 61.572 63.200 -0.032 0.000 0.221 203 S HN 0.930 nan 8.310 nan 0.000 0.488 204 A N 1.063 123.783 122.820 -0.166 0.000 2.019 204 A HA 0.211 4.537 4.320 0.010 0.000 0.219 204 A C 2.401 179.697 177.584 -0.480 0.000 1.164 204 A CA 2.283 54.013 52.037 -0.511 0.000 0.644 204 A CB -1.433 16.831 19.000 -1.226 0.000 0.805 204 A HN 1.472 nan 8.150 nan 0.000 0.449 205 G N -0.486 108.088 108.800 -0.377 0.000 2.402 205 G HA2 0.037 4.003 3.960 0.010 0.000 0.216 205 G HA3 0.037 4.003 3.960 0.010 0.000 0.216 205 G C 1.713 176.425 174.900 -0.314 0.000 1.162 205 G CA 1.257 46.092 45.100 -0.442 0.000 0.777 205 G HN 0.737 nan 8.290 nan 0.000 0.539 206 A N 1.177 123.886 122.820 -0.186 0.000 1.898 206 A HA 0.331 4.656 4.320 0.010 0.000 0.216 206 A C 2.809 180.364 177.584 -0.048 0.000 1.181 206 A CA 2.086 54.078 52.037 -0.074 0.000 0.620 206 A CB -0.767 18.251 19.000 0.030 0.000 0.819 206 A HN 0.740 nan 8.150 nan 0.000 0.442 207 A N -0.425 122.389 122.820 -0.011 0.000 1.908 207 A HA -0.092 4.234 4.320 0.010 0.000 0.218 207 A C 2.444 180.014 177.584 -0.024 0.000 1.181 207 A CA 2.126 54.150 52.037 -0.021 0.000 0.627 207 A CB -0.891 18.124 19.000 0.025 0.000 0.818 207 A HN 0.447 nan 8.150 nan 0.000 0.445 208 S N -0.457 115.218 115.700 -0.042 0.000 2.353 208 S HA -0.156 4.320 4.470 0.010 0.000 0.222 208 S C 1.925 176.454 174.600 -0.118 0.000 1.035 208 S CA 1.478 59.611 58.200 -0.110 0.000 1.025 208 S CB -0.607 62.466 63.200 -0.211 0.000 0.902 208 S HN 0.349 nan 8.310 nan 0.000 0.440 209 V N 1.706 121.573 119.914 -0.078 0.000 2.282 209 V HA -0.225 3.901 4.120 0.010 0.000 0.249 209 V C 2.614 178.694 176.094 -0.024 0.000 1.057 209 V CA 2.085 64.356 62.300 -0.047 0.000 1.032 209 V CB -1.522 30.252 31.823 -0.082 0.000 0.645 209 V HN 0.617 nan 8.190 nan 0.000 0.447 210 G N -1.182 107.596 108.800 -0.036 0.000 2.442 210 G HA2 -0.279 3.687 3.960 0.010 0.000 0.219 210 G HA3 -0.279 3.687 3.960 0.010 0.000 0.219 210 G C 1.595 176.499 174.900 0.006 0.000 1.141 210 G CA 1.064 46.149 45.100 -0.025 0.000 0.763 210 G HN 0.466 nan 8.290 nan 0.000 0.554 211 M N -0.278 119.301 119.600 -0.034 0.000 2.319 211 M HA 0.051 4.537 4.480 0.010 0.000 0.265 211 M C 2.204 178.568 176.300 0.107 0.000 1.068 211 M CA 0.692 56.000 55.300 0.013 0.000 1.118 211 M CB -0.131 32.429 32.600 -0.067 0.000 1.395 211 M HN 0.190 nan 8.290 nan 0.000 0.435 212 H N -0.187 118.993 119.070 0.183 0.000 2.428 212 H HA 0.035 4.596 4.556 0.009 0.000 0.296 212 H C 2.069 177.609 175.328 0.353 0.000 1.062 212 H CA 1.276 57.461 56.048 0.228 0.000 1.350 212 H CB -0.141 29.635 29.762 0.023 0.000 1.403 212 H HN 0.404 nan 8.280 nan 0.000 0.533 213 I N 0.621 121.444 120.570 0.421 0.000 2.394 213 I HA -0.207 3.969 4.170 0.010 0.000 0.251 213 I C 1.663 177.953 176.117 0.288 0.000 1.136 213 I CA 0.926 62.484 61.300 0.430 0.000 1.425 213 I CB 0.028 38.179 38.000 0.252 0.000 1.079 213 I HN 0.112 nan 8.210 nan 0.000 0.425 214 L N -0.986 120.364 121.223 0.212 0.000 2.607 214 L HA 0.124 4.470 4.340 0.010 0.000 0.228 214 L C 0.862 177.792 176.870 0.100 0.000 1.123 214 L CA 0.057 55.001 54.840 0.174 0.000 0.890 214 L CB 0.087 42.228 42.059 0.136 0.000 1.103 214 L HN -0.015 nan 8.230 nan 0.000 0.468 215 S N -0.061 115.676 115.700 0.062 0.000 2.594 215 S HA 0.237 4.713 4.470 0.010 0.000 0.322 215 S C 0.740 175.284 174.600 -0.093 0.000 1.085 215 S CA -0.599 57.525 58.200 -0.127 0.000 1.116 215 S CB 1.138 64.027 63.200 -0.518 0.000 0.979 215 S HN 0.152 nan 8.310 nan 0.000 0.465 216 L N 7.423 128.597 121.223 -0.082 0.000 2.010 216 L HA -0.039 4.307 4.340 0.010 0.000 0.219 216 L C -1.042 175.784 176.870 -0.074 0.000 1.077 216 L CA 2.452 57.252 54.840 -0.066 0.000 0.773 216 L CB -1.111 40.909 42.059 -0.065 0.000 0.892 216 L HN 0.497 nan 8.230 nan 0.000 0.436 217 P HA -0.104 nan 4.420 nan 0.000 0.222 217 P C 1.491 178.774 177.300 -0.029 0.000 1.142 217 P CA 1.470 64.523 63.100 -0.077 0.000 0.788 217 P CB 0.002 31.638 31.700 -0.108 0.000 0.767 218 S N -1.345 114.361 115.700 0.010 0.000 2.486 218 S HA 0.058 4.533 4.470 0.010 0.000 0.220 218 S C 1.751 176.431 174.600 0.134 0.000 1.011 218 S CA 0.132 58.429 58.200 0.163 0.000 0.921 218 S CB -0.250 63.191 63.200 0.402 0.000 0.785 218 S HN 0.053 nan 8.310 nan 0.000 0.517 219 R N 2.163 122.642 120.500 -0.034 0.000 2.159 219 R HA -0.014 4.332 4.340 0.010 0.000 0.237 219 R C 2.122 178.172 176.300 -0.417 0.000 1.131 219 R CA 1.341 57.242 56.100 -0.333 0.000 0.982 219 R CB -1.151 29.028 30.300 -0.202 0.000 0.868 219 R HN 0.564 nan 8.270 nan 0.000 0.453 220 S N -0.365 115.205 115.700 -0.217 0.000 2.593 220 S HA 0.110 4.586 4.470 0.010 0.000 0.217 220 S C 1.669 176.162 174.600 -0.179 0.000 0.966 220 S CA 0.043 58.128 58.200 -0.192 0.000 0.914 220 S CB -0.089 63.053 63.200 -0.097 0.000 0.776 220 S HN 0.207 nan 8.310 nan 0.000 0.523 221 L N 0.367 121.514 121.223 -0.126 0.000 2.640 221 L HA 0.482 4.828 4.340 0.010 0.000 0.230 221 L C 0.071 176.966 176.870 0.042 0.000 1.123 221 L CA -0.295 54.544 54.840 -0.002 0.000 0.900 221 L CB -0.115 41.999 42.059 0.092 0.000 1.146 221 L HN 0.501 nan 8.230 nan 0.000 0.484 222 F N -3.974 115.788 119.950 -0.314 0.000 2.711 222 F HA 0.476 5.008 4.527 0.009 0.000 0.313 222 F C 0.255 175.730 175.800 -0.543 0.000 1.141 222 F CA -1.048 56.748 58.000 -0.341 0.000 0.941 222 F CB 0.920 39.866 39.000 -0.091 0.000 1.349 222 F HN -0.139 nan 8.300 nan 0.000 0.464 223 H N -1.239 117.930 119.070 0.165 0.000 3.091 223 H HA 0.510 5.072 4.556 0.009 0.000 0.249 223 H C -0.186 175.213 175.328 0.118 0.000 0.985 223 H CA -0.184 55.876 56.048 0.020 0.000 1.177 223 H CB 0.620 30.381 29.762 -0.002 0.000 1.456 223 H HN 0.374 nan 8.280 nan 0.000 0.467 224 R N 0.203 120.929 120.500 0.378 0.000 2.836 224 R HA 0.824 5.169 4.340 0.010 0.000 0.269 224 R C -1.449 175.108 176.300 0.428 0.000 1.010 224 R CA -0.907 55.377 56.100 0.307 0.000 0.930 224 R CB 2.656 32.967 30.300 0.019 0.000 1.218 224 R HN 0.176 nan 8.270 nan 0.000 0.473 225 A N 1.051 124.137 122.820 0.442 0.000 2.549 225 A HA 0.661 4.986 4.320 0.010 0.000 0.297 225 A C -1.491 176.226 177.584 0.221 0.000 1.061 225 A CA -0.594 51.621 52.037 0.297 0.000 0.690 225 A CB 1.922 21.047 19.000 0.209 0.000 1.287 225 A HN 0.312 nan 8.150 nan 0.000 0.402 226 V N 1.933 121.943 119.914 0.161 0.000 2.531 226 V HA 0.530 4.656 4.120 0.010 0.000 0.301 226 V C -1.185 175.004 176.094 0.158 0.000 1.034 226 V CA -0.339 62.007 62.300 0.076 0.000 0.865 226 V CB 1.286 33.187 31.823 0.131 0.000 0.995 226 V HN 0.679 nan 8.190 nan 0.000 0.424 227 L N 5.164 126.451 121.223 0.107 0.000 2.318 227 L HA 0.520 4.866 4.340 0.010 0.000 0.277 227 L C 0.003 176.977 176.870 0.173 0.000 1.008 227 L CA -0.009 54.891 54.840 0.101 0.000 0.846 227 L CB 1.564 43.636 42.059 0.022 0.000 1.220 227 L HN 0.628 nan 8.230 nan 0.000 0.423 228 Q N 2.053 122.004 119.800 0.251 0.000 2.340 228 Q HA 0.447 4.793 4.340 0.010 0.000 0.259 228 Q C 0.076 176.198 176.000 0.203 0.000 0.964 228 Q CA -0.550 55.452 55.803 0.332 0.000 0.900 228 Q CB 1.238 30.258 28.738 0.469 0.000 1.228 228 Q HN 0.614 nan 8.270 nan 0.000 0.449 229 S N 1.067 116.876 115.700 0.182 0.000 3.628 229 S HA -0.148 4.327 4.470 0.010 0.000 0.373 229 S C 0.042 174.818 174.600 0.293 0.000 0.968 229 S CA 0.502 58.833 58.200 0.217 0.000 1.215 229 S CB -1.239 62.082 63.200 0.202 0.000 0.912 229 S HN 1.017 nan 8.310 nan 0.000 0.495 230 G N -0.392 108.542 108.800 0.224 0.000 2.556 230 G HA2 0.655 4.621 3.960 0.010 0.000 0.294 230 G HA3 0.655 4.621 3.960 0.010 0.000 0.294 230 G C -0.923 174.040 174.900 0.105 0.000 1.516 230 G CA 0.198 45.478 45.100 0.300 0.000 0.824 230 G HN 1.101 nan 8.290 nan 0.000 0.535 231 T N -1.385 113.173 114.554 0.006 0.000 2.889 231 T HA 0.734 5.090 4.350 0.010 0.000 0.315 231 T C -2.409 172.142 174.700 -0.248 0.000 1.291 231 T CA -1.115 60.913 62.100 -0.121 0.000 1.028 231 T CB 2.980 71.764 68.868 -0.139 0.000 1.235 231 T HN 0.322 nan 8.240 nan 0.000 0.491 232 P HA -0.004 nan 4.420 nan 0.000 0.220 232 P C 0.229 177.369 177.300 -0.267 0.000 1.152 232 P CA 0.647 63.620 63.100 -0.211 0.000 0.812 232 P CB -0.033 31.596 31.700 -0.118 0.000 0.792 233 N N 0.625 119.182 118.700 -0.238 0.000 2.379 233 N HA 0.346 5.092 4.740 0.010 0.000 0.260 233 N C 0.696 175.993 175.510 -0.355 0.000 1.254 233 N CA 0.403 53.312 53.050 -0.236 0.000 0.958 233 N CB 0.348 38.739 38.487 -0.161 0.000 1.208 233 N HN 0.189 nan 8.380 nan 0.000 0.532 234 G N -0.986 107.616 108.800 -0.330 0.000 2.497 234 G HA2 -0.088 3.877 3.960 0.010 0.000 0.686 234 G HA3 -0.088 3.877 3.960 0.010 0.000 0.686 234 G C -2.235 172.401 174.900 -0.440 0.000 1.288 234 G CA -0.268 44.575 45.100 -0.428 0.000 0.899 234 G HN 0.544 nan 8.290 nan 0.000 0.608 235 P HA 0.087 nan 4.420 nan 0.000 0.236 235 P C 1.326 178.542 177.300 -0.141 0.000 1.177 235 P CA 1.952 64.887 63.100 -0.275 0.000 0.773 235 P CB -0.040 31.458 31.700 -0.337 0.000 0.878 236 W N -1.761 119.434 121.300 -0.176 0.000 2.835 236 W HA 0.532 5.197 4.660 0.008 0.000 0.278 236 W C 1.224 177.815 176.519 0.120 0.000 1.075 236 W CA 0.443 57.769 57.345 -0.032 0.000 1.439 236 W CB -0.805 28.673 29.460 0.029 0.000 0.927 236 W HN -0.164 nan 8.180 nan 0.000 0.604 237 A N 2.069 124.502 122.820 -0.645 0.000 2.067 237 A HA 0.073 4.398 4.320 0.010 0.000 0.219 237 A C 1.204 178.632 177.584 -0.261 0.000 1.158 237 A CA 2.029 53.807 52.037 -0.431 0.000 0.661 237 A CB -0.881 17.623 19.000 -0.828 0.000 0.801 237 A HN 0.303 nan 8.150 nan 0.000 0.452 238 T N -3.817 110.595 114.554 -0.237 0.000 2.841 238 T HA 0.627 4.983 4.350 0.010 0.000 0.296 238 T C -0.655 173.963 174.700 -0.136 0.000 1.166 238 T CA -0.125 61.851 62.100 -0.207 0.000 1.007 238 T CB 1.466 70.221 68.868 -0.189 0.000 1.253 238 T HN 0.933 nan 8.240 nan 0.000 0.511 239 V N -1.481 118.362 119.914 -0.117 0.000 3.078 239 V HA 0.903 5.029 4.120 0.010 0.000 0.311 239 V C 0.186 176.239 176.094 -0.069 0.000 1.138 239 V CA -0.853 61.396 62.300 -0.086 0.000 1.007 239 V CB 1.321 33.093 31.823 -0.085 0.000 1.045 239 V HN 1.403 nan 8.190 nan 0.000 0.432 240 S N 1.490 117.157 115.700 -0.055 0.000 2.614 240 S HA 0.634 5.110 4.470 0.010 0.000 0.265 240 S C 1.379 175.960 174.600 -0.032 0.000 1.303 240 S CA 0.093 58.269 58.200 -0.041 0.000 1.000 240 S CB 1.313 64.492 63.200 -0.036 0.000 0.935 240 S HN 1.978 nan 8.310 nan 0.000 0.551 241 A N 2.085 124.892 122.820 -0.021 0.000 1.908 241 A HA 0.105 4.431 4.320 0.010 0.000 0.218 241 A C 2.216 179.791 177.584 -0.015 0.000 1.181 241 A CA 1.793 53.822 52.037 -0.013 0.000 0.627 241 A CB -1.871 17.124 19.000 -0.007 0.000 0.818 241 A HN 1.172 nan 8.150 nan 0.000 0.445 242 G N -0.405 108.384 108.800 -0.018 0.000 2.446 242 G HA2 -0.280 3.686 3.960 0.010 0.000 0.217 242 G HA3 -0.280 3.686 3.960 0.010 0.000 0.217 242 G C 1.473 176.359 174.900 -0.023 0.000 1.168 242 G CA 1.439 46.528 45.100 -0.019 0.000 0.771 242 G HN 0.583 nan 8.290 nan 0.000 0.551 243 E N 0.979 121.160 120.200 -0.032 0.000 2.106 243 E HA 0.069 4.425 4.350 0.010 0.000 0.192 243 E C 2.642 179.212 176.600 -0.049 0.000 0.984 243 E CA 1.426 57.800 56.400 -0.044 0.000 0.806 243 E CB -0.558 29.110 29.700 -0.054 0.000 0.750 243 E HN 0.289 nan 8.360 nan 0.000 0.458 244 A N 0.834 123.632 122.820 -0.037 0.000 1.898 244 A HA -0.164 4.161 4.320 0.010 0.000 0.216 244 A C 2.286 179.876 177.584 0.010 0.000 1.181 244 A CA 1.702 53.730 52.037 -0.015 0.000 0.620 244 A CB -0.614 18.393 19.000 0.012 0.000 0.819 244 A HN 0.278 nan 8.150 nan 0.000 0.442 245 R N -0.464 120.035 120.500 -0.002 0.000 2.083 245 R HA -0.159 4.187 4.340 0.010 0.000 0.237 245 R C 2.462 178.761 176.300 -0.001 0.000 1.137 245 R CA 1.720 57.819 56.100 -0.003 0.000 0.951 245 R CB -0.360 29.934 30.300 -0.011 0.000 0.851 245 R HN 0.513 nan 8.270 nan 0.000 0.434 246 R N 0.475 120.969 120.500 -0.010 0.000 2.094 246 R HA -0.174 4.171 4.340 0.010 0.000 0.239 246 R C 2.301 178.601 176.300 -0.001 0.000 1.137 246 R CA 2.131 58.225 56.100 -0.010 0.000 0.943 246 R CB -0.183 30.105 30.300 -0.020 0.000 0.850 246 R HN 0.298 nan 8.270 nan 0.000 0.433 247 R N -0.288 120.201 120.500 -0.018 0.000 2.081 247 R HA -0.100 4.246 4.340 0.010 0.000 0.235 247 R C 2.357 178.735 176.300 0.130 0.000 1.131 247 R CA 1.422 57.509 56.100 -0.021 0.000 0.960 247 R CB -0.358 29.804 30.300 -0.230 0.000 0.856 247 R HN 0.285 nan 8.270 nan 0.000 0.436 248 A N 0.705 123.621 122.820 0.161 0.000 1.898 248 A HA -0.184 4.142 4.320 0.010 0.000 0.216 248 A C 2.324 179.932 177.584 0.039 0.000 1.181 248 A CA 2.037 54.164 52.037 0.149 0.000 0.620 248 A CB -0.957 18.073 19.000 0.049 0.000 0.819 248 A HN 0.483 nan 8.150 nan 0.000 0.442 249 T N -1.717 112.846 114.554 0.015 0.000 2.867 249 T HA -0.111 4.244 4.350 0.010 0.000 0.268 249 T C 1.789 176.495 174.700 0.011 0.000 1.057 249 T CA 1.528 63.624 62.100 -0.006 0.000 1.136 249 T CB -0.409 68.451 68.868 -0.012 0.000 0.874 249 T HN 0.228 nan 8.240 nan 0.000 0.466 250 L N 0.747 121.990 121.223 0.033 0.000 2.046 250 L HA 0.215 4.561 4.340 0.010 0.000 0.208 250 L C 2.344 179.251 176.870 0.061 0.000 1.077 250 L CA 1.699 56.565 54.840 0.043 0.000 0.747 250 L CB -1.168 40.922 42.059 0.051 0.000 0.896 250 L HN 0.417 nan 8.230 nan 0.000 0.432 251 L N -0.366 120.917 121.223 0.100 0.000 2.083 251 L HA -0.083 4.263 4.340 0.010 0.000 0.209 251 L C 2.473 179.350 176.870 0.013 0.000 1.083 251 L CA 1.824 56.728 54.840 0.107 0.000 0.752 251 L CB -0.713 41.454 42.059 0.180 0.000 0.899 251 L HN 0.289 nan 8.230 nan 0.000 0.433 252 A N -0.094 122.719 122.820 -0.013 0.000 1.883 252 A HA -0.231 4.095 4.320 0.010 0.000 0.217 252 A C 2.396 179.956 177.584 -0.040 0.000 1.186 252 A CA 1.893 53.904 52.037 -0.044 0.000 0.624 252 A CB -0.605 18.363 19.000 -0.053 0.000 0.822 252 A HN 0.497 nan 8.150 nan 0.000 0.444 253 R N -0.544 119.941 120.500 -0.023 0.000 2.083 253 R HA -0.104 4.242 4.340 0.010 0.000 0.237 253 R C 2.077 178.349 176.300 -0.046 0.000 1.137 253 R CA 1.559 57.645 56.100 -0.024 0.000 0.951 253 R CB -0.730 29.566 30.300 -0.007 0.000 0.851 253 R HN 0.536 nan 8.270 nan 0.000 0.434 254 L N 0.977 122.170 121.223 -0.050 0.000 2.189 254 L HA -0.135 4.211 4.340 0.010 0.000 0.214 254 L C 2.024 178.708 176.870 -0.309 0.000 1.097 254 L CA 0.965 55.731 54.840 -0.124 0.000 0.764 254 L CB -0.356 41.675 42.059 -0.047 0.000 0.900 254 L HN 0.171 nan 8.230 nan 0.000 0.436 255 V N -4.120 115.655 119.914 -0.233 0.000 3.376 255 V HA 0.529 4.655 4.120 0.010 0.000 0.313 255 V C 1.095 177.133 176.094 -0.094 0.000 1.393 255 V CA 0.207 62.378 62.300 -0.215 0.000 1.125 255 V CB -0.121 31.614 31.823 -0.147 0.000 1.037 255 V HN 0.427 nan 8.190 nan 0.000 0.440 256 G N -0.433 108.325 108.800 -0.071 0.000 2.130 256 G HA2 -0.210 3.756 3.960 0.010 0.000 0.216 256 G HA3 -0.210 3.756 3.960 0.010 0.000 0.216 256 G C -0.057 174.827 174.900 -0.027 0.000 0.999 256 G CA -0.082 44.996 45.100 -0.037 0.000 0.686 256 G HN 0.691 nan 8.290 nan 0.000 0.515 257 c N 1.550 120.130 118.600 -0.032 0.000 2.345 257 c HA 1.029 5.605 4.570 0.010 0.000 0.323 257 c C -1.851 172.223 174.090 -0.026 0.000 1.276 257 c CA 0.125 56.438 56.329 -0.026 0.000 1.543 257 c CB 1.653 44.145 42.510 -0.030 0.000 2.211 257 c HN 0.854 nan 8.230 nan 0.000 0.493 266 D N 1.673 122.060 120.400 -0.023 0.000 2.117 266 D HA -0.088 4.557 4.640 0.010 0.000 0.197 266 D C 1.434 177.714 176.300 -0.033 0.000 0.987 266 D CA 1.764 55.743 54.000 -0.034 0.000 0.829 266 D CB 0.021 40.800 40.800 -0.035 0.000 0.961 266 D HN 0.609 nan 8.370 nan 0.000 0.460 267 T N 1.236 115.779 114.554 -0.019 0.000 2.665 267 T HA -0.174 4.182 4.350 0.010 0.000 0.268 267 T C 1.813 176.507 174.700 -0.009 0.000 1.035 267 T CA 1.310 63.404 62.100 -0.010 0.000 1.151 267 T CB -0.230 68.637 68.868 -0.002 0.000 0.862 267 T HN 0.312 nan 8.240 nan 0.000 0.438 268 E N 0.499 120.692 120.200 -0.011 0.000 2.051 268 E HA -0.090 4.266 4.350 0.010 0.000 0.192 268 E C 2.240 178.831 176.600 -0.015 0.000 0.991 268 E CA 0.900 57.294 56.400 -0.009 0.000 0.799 268 E CB -0.304 29.391 29.700 -0.009 0.000 0.748 268 E HN 0.348 nan 8.360 nan 0.000 0.449 269 L N 0.974 122.179 121.223 -0.029 0.000 1.970 269 L HA -0.226 4.120 4.340 0.010 0.000 0.212 269 L C 2.326 179.160 176.870 -0.060 0.000 1.071 269 L CA 1.420 56.233 54.840 -0.046 0.000 0.751 269 L CB -0.163 41.860 42.059 -0.060 0.000 0.889 269 L HN 0.130 nan 8.230 nan 0.000 0.432 270 I N -0.271 120.254 120.570 -0.075 0.000 2.226 270 I HA -0.304 3.872 4.170 0.010 0.000 0.245 270 I C 2.722 178.854 176.117 0.025 0.000 1.100 270 I CA 1.132 62.381 61.300 -0.085 0.000 1.374 270 I CB -0.633 37.316 38.000 -0.085 0.000 1.057 270 I HN 0.361 nan 8.210 nan 0.000 0.413 271 A N -0.209 122.624 122.820 0.023 0.000 1.908 271 A HA -0.302 4.024 4.320 0.010 0.000 0.218 271 A C 2.543 180.153 177.584 0.043 0.000 1.181 271 A CA 2.033 54.095 52.037 0.042 0.000 0.627 271 A CB -1.344 17.670 19.000 0.024 0.000 0.818 271 A HN 0.636 nan 8.150 nan 0.000 0.445 272 c N -0.650 117.964 118.600 0.023 0.000 2.446 272 c HA 0.020 4.596 4.570 0.010 0.000 0.277 272 c C 2.590 176.702 174.090 0.037 0.000 1.275 272 c CA 1.047 57.387 56.329 0.019 0.000 1.727 272 c CB -1.567 40.944 42.510 0.001 0.000 2.010 272 c HN 0.590 nan 8.230 nan 0.000 0.486 273 L N 0.436 121.685 121.223 0.044 0.000 2.079 273 L HA -0.142 4.204 4.340 0.010 0.000 0.210 273 L C 2.978 179.963 176.870 0.192 0.000 1.081 273 L CA 1.593 56.490 54.840 0.097 0.000 0.752 273 L CB -0.620 41.466 42.059 0.044 0.000 0.896 273 L HN 0.373 nan 8.230 nan 0.000 0.433 274 R N -0.631 119.992 120.500 0.205 0.000 2.189 274 R HA -0.109 4.236 4.340 0.010 0.000 0.223 274 R C 2.143 178.475 176.300 0.054 0.000 1.092 274 R CA 1.661 57.841 56.100 0.133 0.000 0.989 274 R CB -0.399 29.970 30.300 0.115 0.000 0.876 274 R HN 0.510 nan 8.270 nan 0.000 0.457 275 T N -1.506 113.078 114.554 0.049 0.000 3.113 275 T HA 0.095 4.451 4.350 0.010 0.000 0.256 275 T C 0.899 175.613 174.700 0.023 0.000 1.131 275 T CA -0.051 62.066 62.100 0.027 0.000 1.074 275 T CB 0.138 69.019 68.868 0.023 0.000 0.944 275 T HN -0.123 nan 8.240 nan 0.000 0.516 276 R N 2.616 123.135 120.500 0.032 0.000 2.441 276 R HA 0.402 4.747 4.340 0.010 0.000 0.284 276 R C -2.713 173.599 176.300 0.020 0.000 1.070 276 R CA -2.551 53.566 56.100 0.028 0.000 1.047 276 R CB -0.162 30.158 30.300 0.034 0.000 1.016 276 R HN 0.243 nan 8.270 nan 0.000 0.477 277 P HA 0.014 nan 4.420 nan 0.000 0.269 277 P C 0.252 177.542 177.300 -0.018 0.000 1.209 277 P CA 0.161 63.256 63.100 -0.009 0.000 0.776 277 P CB 0.620 32.328 31.700 0.013 0.000 0.876 278 A N 2.669 125.409 122.820 -0.133 0.000 1.883 278 A HA -0.279 4.047 4.320 0.010 0.000 0.217 278 A C 2.145 179.690 177.584 -0.065 0.000 1.186 278 A CA 1.891 53.825 52.037 -0.172 0.000 0.624 278 A CB -1.305 17.089 19.000 -1.010 0.000 0.822 278 A HN 0.536 nan 8.150 nan 0.000 0.444 279 Q N -0.035 119.708 119.800 -0.095 0.000 2.226 279 Q HA -0.168 4.178 4.340 0.010 0.000 0.204 279 Q C 1.190 177.317 176.000 0.212 0.000 0.975 279 Q CA 1.981 57.906 55.803 0.203 0.000 0.866 279 Q CB -0.406 28.464 28.738 0.220 0.000 0.915 279 Q HN 0.658 nan 8.270 nan 0.000 0.440 280 D N -0.839 119.658 120.400 0.162 0.000 2.144 280 D HA -0.091 4.555 4.640 0.010 0.000 0.200 280 D C 1.589 178.050 176.300 0.268 0.000 0.978 280 D CA 0.821 54.952 54.000 0.218 0.000 0.833 280 D CB -0.021 40.873 40.800 0.157 0.000 0.961 280 D HN 0.287 nan 8.370 nan 0.000 0.470 281 L N -0.050 121.275 121.223 0.171 0.000 2.056 281 L HA -0.107 4.239 4.340 0.010 0.000 0.207 281 L C 2.363 179.331 176.870 0.165 0.000 1.078 281 L CA 0.584 55.481 54.840 0.095 0.000 0.749 281 L CB -0.405 41.577 42.059 -0.129 0.000 0.901 281 L HN -0.017 nan 8.230 nan 0.000 0.433 282 V N -0.179 119.900 119.914 0.277 0.000 2.343 282 V HA -0.276 3.850 4.120 0.010 0.000 0.247 282 V C 2.026 178.291 176.094 0.286 0.000 1.051 282 V CA 1.811 64.323 62.300 0.353 0.000 1.036 282 V CB -0.549 31.581 31.823 0.512 0.000 0.654 282 V HN 0.412 nan 8.190 nan 0.000 0.451 283 D N -0.653 119.883 120.400 0.227 0.000 2.265 283 D HA -0.153 4.493 4.640 0.010 0.000 0.208 283 D C 1.729 177.902 176.300 -0.211 0.000 0.977 283 D CA 1.430 55.464 54.000 0.057 0.000 0.871 283 D CB -0.198 40.603 40.800 0.002 0.000 0.925 283 D HN 0.641 nan 8.370 nan 0.000 0.485 284 H N -1.000 118.130 119.070 0.100 0.000 2.755 284 H HA 0.189 4.751 4.556 0.010 0.000 0.273 284 H C 1.509 176.833 175.328 -0.007 0.000 1.055 284 H CA -0.115 55.965 56.048 0.052 0.000 1.191 284 H CB 0.532 30.406 29.762 0.186 0.000 1.536 284 H HN 0.079 nan 8.280 nan 0.000 0.529 285 E N 0.590 120.841 120.200 0.085 0.000 2.086 285 E HA -0.243 4.112 4.350 0.010 0.000 0.200 285 E C 0.708 177.216 176.600 -0.154 0.000 1.012 285 E CA 1.637 58.060 56.400 0.038 0.000 0.812 285 E CB -0.063 29.594 29.700 -0.073 0.000 0.743 285 E HN 0.586 nan 8.360 nan 0.000 0.453 286 W N -0.415 120.803 121.300 -0.138 0.000 2.699 286 W HA -0.007 4.659 4.660 0.009 0.000 0.249 286 W C 1.555 178.038 176.519 -0.060 0.000 1.280 286 W CA 0.693 57.937 57.345 -0.168 0.000 1.345 286 W CB -0.053 29.242 29.460 -0.274 0.000 1.128 286 W HN 0.283 nan 8.180 nan 0.000 0.642 287 H N -0.648 118.552 119.070 0.217 0.000 2.543 287 H HA 0.012 4.574 4.556 0.010 0.000 0.269 287 H C 1.843 177.236 175.328 0.108 0.000 1.005 287 H CA 0.705 56.852 56.048 0.165 0.000 1.146 287 H CB 0.104 29.977 29.762 0.185 0.000 1.353 287 H HN 0.136 nan 8.280 nan 0.000 0.595 288 V N -1.937 118.068 119.914 0.152 0.000 3.578 288 V HA 0.185 4.311 4.120 0.010 0.000 0.290 288 V C 0.508 176.593 176.094 -0.016 0.000 1.376 288 V CA -0.200 62.133 62.300 0.055 0.000 1.083 288 V CB -0.336 31.491 31.823 0.008 0.000 0.911 288 V HN 0.126 nan 8.190 nan 0.000 0.433 289 L N 2.669 123.897 121.223 0.008 0.000 2.490 289 L HA 0.218 4.564 4.340 0.010 0.000 0.274 289 L C -0.169 176.707 176.870 0.009 0.000 1.201 289 L CA -0.953 53.881 54.840 -0.010 0.000 0.869 289 L CB 0.666 42.751 42.059 0.044 0.000 1.123 289 L HN 0.151 nan 8.230 nan 0.000 0.484 290 P HA -0.145 nan 4.420 nan 0.000 0.216 290 P C -0.175 177.130 177.300 0.009 0.000 1.150 290 P CA 1.374 64.471 63.100 -0.004 0.000 0.837 290 P CB 0.372 32.062 31.700 -0.017 0.000 0.786 291 Q N -1.645 118.162 119.800 0.012 0.000 2.605 291 Q HA 0.381 4.727 4.340 0.010 0.000 0.296 291 Q C -0.590 175.425 176.000 0.026 0.000 1.056 291 Q CA -0.834 54.979 55.803 0.017 0.000 0.778 291 Q CB 0.910 29.653 28.738 0.009 0.000 1.497 291 Q HN -0.044 nan 8.270 nan 0.000 0.443 292 E N 0.727 120.942 120.200 0.025 0.000 2.384 292 E HA 0.396 4.751 4.350 0.010 0.000 0.266 292 E C -0.932 175.680 176.600 0.020 0.000 1.012 292 E CA 0.182 56.599 56.400 0.028 0.000 0.901 292 E CB 0.409 30.122 29.700 0.023 0.000 0.967 292 E HN 0.613 nan 8.360 nan 0.000 0.435 293 S N 3.192 118.905 115.700 0.022 0.000 2.643 293 S HA 0.533 5.009 4.470 0.010 0.000 0.266 293 S C -0.715 173.892 174.600 0.012 0.000 1.130 293 S CA -1.002 57.205 58.200 0.012 0.000 0.817 293 S CB 0.372 63.573 63.200 0.001 0.000 1.107 293 S HN 0.556 nan 8.310 nan 0.000 0.471 294 I N -3.073 117.502 120.570 0.007 0.000 3.042 294 I HA 0.826 5.002 4.170 0.010 0.000 0.310 294 I C -0.249 175.850 176.117 -0.030 0.000 1.117 294 I CA -1.192 60.122 61.300 0.024 0.000 1.003 294 I CB 1.317 39.375 38.000 0.097 0.000 1.228 294 I HN 0.808 nan 8.210 nan 0.000 0.443 295 F N 1.635 121.392 119.950 -0.321 0.000 3.091 295 F HA -0.180 4.353 4.527 0.010 0.000 0.288 295 F C -0.342 174.904 175.800 -0.922 0.000 0.907 295 F CA 0.631 58.185 58.000 -0.742 0.000 1.028 295 F CB -0.638 37.848 39.000 -0.858 0.000 1.022 295 F HN 0.587 nan 8.300 nan 0.000 0.665 296 R N 0.459 120.484 120.500 -0.793 0.000 2.621 296 R HA 0.616 4.961 4.340 0.010 0.000 0.284 296 R C -1.081 174.755 176.300 -0.772 0.000 0.998 296 R CA -0.572 55.149 56.100 -0.632 0.000 0.895 296 R CB 1.323 31.507 30.300 -0.194 0.000 1.195 296 R HN -0.009 nan 8.270 nan 0.000 0.450 297 F N -0.499 119.554 119.950 0.171 0.000 2.540 297 F HA 0.357 4.889 4.527 0.009 0.000 0.317 297 F C 1.591 177.294 175.800 -0.162 0.000 1.104 297 F CA -0.805 57.209 58.000 0.024 0.000 0.913 297 F CB 1.882 41.023 39.000 0.234 0.000 1.170 297 F HN 0.359 nan 8.300 nan 0.000 0.450 298 S N 1.121 116.648 115.700 -0.287 0.000 2.353 298 S HA -0.101 4.375 4.470 0.010 0.000 0.222 298 S C 0.121 174.259 174.600 -0.769 0.000 1.035 298 S CA 1.431 59.300 58.200 -0.552 0.000 1.025 298 S CB -0.260 62.536 63.200 -0.674 0.000 0.902 298 S HN 0.377 nan 8.310 nan 0.000 0.440 299 F N 1.225 121.185 119.950 0.016 0.000 2.382 299 F HA 0.527 5.059 4.527 0.010 0.000 0.361 299 F C 0.050 175.868 175.800 0.029 0.000 1.109 299 F CA -0.894 57.155 58.000 0.082 0.000 1.031 299 F CB 1.179 40.272 39.000 0.154 0.000 1.234 299 F HN -0.081 nan 8.300 nan 0.000 0.445 300 V N 0.633 120.504 119.914 -0.071 0.000 3.145 300 V HA 0.761 4.887 4.120 0.010 0.000 0.311 300 V C -2.888 172.856 176.094 -0.583 0.000 1.238 300 V CA -3.391 58.548 62.300 -0.602 0.000 1.066 300 V CB 1.871 33.510 31.823 -0.306 0.000 1.144 300 V HN 0.234 nan 8.190 nan 0.000 0.465 301 P HA 0.197 nan 4.420 nan 0.000 0.265 301 P C -0.746 176.425 177.300 -0.215 0.000 1.193 301 P CA 0.457 63.292 63.100 -0.440 0.000 0.765 301 P CB 0.723 32.075 31.700 -0.580 0.000 0.823 302 V N 5.189 125.052 119.914 -0.086 0.000 2.547 302 V HA 0.230 4.355 4.120 0.010 0.000 0.299 302 V C -0.253 175.820 176.094 -0.035 0.000 1.040 302 V CA -0.790 61.480 62.300 -0.049 0.000 0.913 302 V CB 1.918 33.741 31.823 -0.000 0.000 0.992 302 V HN 0.126 nan 8.190 nan 0.000 0.449 303 V N 7.548 127.442 119.914 -0.033 0.000 2.302 303 V HA 0.163 4.289 4.120 0.010 0.000 0.244 303 V C 0.880 176.979 176.094 0.008 0.000 1.160 303 V CA 0.303 62.597 62.300 -0.010 0.000 1.127 303 V CB 0.076 31.886 31.823 -0.022 0.000 1.253 303 V HN 1.064 nan 8.190 nan 0.000 0.496 304 D N 2.645 123.064 120.400 0.032 0.000 2.349 304 D HA 0.084 4.730 4.640 0.010 0.000 0.215 304 D C 1.553 177.877 176.300 0.039 0.000 1.016 304 D CA 0.719 54.741 54.000 0.038 0.000 0.870 304 D CB 0.297 41.131 40.800 0.057 0.000 0.917 304 D HN 0.663 nan 8.370 nan 0.000 0.524 305 G N 0.625 109.450 108.800 0.041 0.000 2.153 305 G HA2 -0.318 3.648 3.960 0.010 0.000 0.252 305 G HA3 -0.318 3.648 3.960 0.010 0.000 0.252 305 G C 0.348 175.270 174.900 0.038 0.000 0.994 305 G CA 0.737 45.855 45.100 0.031 0.000 0.698 305 G HN 0.553 nan 8.290 nan 0.000 0.521 306 D N -1.587 118.851 120.400 0.065 0.000 3.028 306 D HA 0.220 4.866 4.640 0.010 0.000 0.205 306 D C 1.726 178.077 176.300 0.086 0.000 1.489 306 D CA 0.336 54.376 54.000 0.067 0.000 1.452 306 D CB -0.641 40.210 40.800 0.085 0.000 1.052 306 D HN 0.077 nan 8.370 nan 0.000 0.221 307 F N 1.198 121.156 119.950 0.013 0.000 2.126 307 F HA 0.155 4.687 4.527 0.009 0.000 0.299 307 F C 0.658 176.460 175.800 0.004 0.000 1.096 307 F CA 1.212 59.221 58.000 0.015 0.000 1.255 307 F CB 0.146 39.153 39.000 0.012 0.000 0.997 307 F HN -0.003 nan 8.300 nan 0.000 0.479 308 L N 0.752 122.141 121.223 0.277 0.000 2.301 308 L HA 0.180 4.526 4.340 0.010 0.000 0.278 308 L C 1.401 178.317 176.870 0.076 0.000 1.022 308 L CA -0.216 54.721 54.840 0.162 0.000 0.854 308 L CB 1.295 43.432 42.059 0.129 0.000 1.226 308 L HN 0.063 nan 8.230 nan 0.000 0.429 309 S N 0.543 116.269 115.700 0.043 0.000 2.442 309 S HA -0.062 4.414 4.470 0.010 0.000 0.236 309 S C 0.503 175.114 174.600 0.017 0.000 1.007 309 S CA 0.749 58.962 58.200 0.022 0.000 0.965 309 S CB 0.126 63.329 63.200 0.005 0.000 0.773 309 S HN 0.705 nan 8.310 nan 0.000 0.504 310 D N -0.130 120.282 120.400 0.020 0.000 2.838 310 D HA 0.323 4.969 4.640 0.010 0.000 0.334 310 D C -0.841 175.462 176.300 0.005 0.000 1.315 310 D CA 0.077 54.083 54.000 0.009 0.000 0.917 310 D CB 1.253 42.056 40.800 0.006 0.000 1.435 310 D HN 0.217 nan 8.370 nan 0.000 0.517 311 T N -1.161 113.388 114.554 -0.008 0.000 2.900 311 T HA 0.327 4.682 4.350 0.010 0.000 0.307 311 T C -1.857 172.832 174.700 -0.019 0.000 1.065 311 T CA -0.784 61.301 62.100 -0.024 0.000 1.105 311 T CB 1.217 70.063 68.868 -0.036 0.000 0.979 311 T HN 0.090 nan 8.240 nan 0.000 0.544 312 P HA -0.074 nan 4.420 nan 0.000 0.219 312 P C 1.576 178.863 177.300 -0.022 0.000 1.146 312 P CA 0.746 63.827 63.100 -0.032 0.000 0.808 312 P CB 0.124 31.775 31.700 -0.083 0.000 0.779 313 E N -0.478 119.699 120.200 -0.038 0.000 2.051 313 E HA -0.178 4.178 4.350 0.010 0.000 0.192 313 E C 1.986 178.587 176.600 0.002 0.000 0.991 313 E CA 1.390 57.774 56.400 -0.027 0.000 0.799 313 E CB -0.432 29.244 29.700 -0.040 0.000 0.748 313 E HN 0.083 nan 8.360 nan 0.000 0.449 314 A N 1.348 124.168 122.820 0.001 0.000 1.877 314 A HA -0.172 4.154 4.320 0.010 0.000 0.216 314 A C 2.306 179.910 177.584 0.033 0.000 1.186 314 A CA 1.203 53.246 52.037 0.011 0.000 0.620 314 A CB -0.803 18.199 19.000 0.002 0.000 0.822 314 A HN 0.218 nan 8.150 nan 0.000 0.443 315 L N -0.125 121.126 121.223 0.046 0.000 2.079 315 L HA -0.178 4.167 4.340 0.010 0.000 0.210 315 L C 2.556 179.533 176.870 0.178 0.000 1.081 315 L CA 1.742 56.635 54.840 0.088 0.000 0.752 315 L CB -0.725 41.390 42.059 0.093 0.000 0.896 315 L HN 0.705 nan 8.230 nan 0.000 0.433 316 I N -3.363 117.304 120.570 0.162 0.000 3.059 316 I HA -0.052 4.124 4.170 0.010 0.000 0.270 316 I C 1.751 177.999 176.117 0.218 0.000 1.238 316 I CA 0.922 62.369 61.300 0.245 0.000 1.478 316 I CB -0.296 37.748 38.000 0.073 0.000 1.097 316 I HN 0.161 nan 8.210 nan 0.000 0.455 317 N N 1.404 120.174 118.700 0.117 0.000 2.376 317 N HA -0.046 4.700 4.740 0.010 0.000 0.177 317 N C 1.642 177.189 175.510 0.061 0.000 1.024 317 N CA 1.759 54.858 53.050 0.081 0.000 0.893 317 N CB 0.061 38.573 38.487 0.043 0.000 0.980 317 N HN 0.636 nan 8.380 nan 0.000 0.439 318 T N -3.255 111.324 114.554 0.042 0.000 3.145 318 T HA 0.358 4.714 4.350 0.010 0.000 0.281 318 T C 0.722 175.366 174.700 -0.094 0.000 1.003 318 T CA -0.614 61.477 62.100 -0.015 0.000 0.901 318 T CB 0.160 69.017 68.868 -0.018 0.000 1.112 318 T HN 0.002 nan 8.240 nan 0.000 0.535 319 G N 0.622 109.337 108.800 -0.142 0.000 2.476 319 G HA2 0.478 4.444 3.960 0.010 0.000 0.286 319 G HA3 0.478 4.444 3.960 0.010 0.000 0.286 319 G C -1.281 173.107 174.900 -0.854 0.000 1.177 319 G CA -0.554 44.219 45.100 -0.546 0.000 0.870 319 G HN 0.336 nan 8.290 nan 0.000 0.528 320 D N 0.033 119.934 120.400 -0.832 0.000 2.373 320 D HA 0.403 5.049 4.640 0.010 0.000 0.227 320 D C -0.567 175.316 176.300 -0.696 0.000 1.091 320 D CA -0.613 53.051 54.000 -0.561 0.000 0.840 320 D CB 0.531 41.163 40.800 -0.279 0.000 1.060 320 D HN 0.085 nan 8.370 nan 0.000 0.502 321 F N 2.808 122.765 119.950 0.012 0.000 2.928 321 F HA 0.249 4.782 4.527 0.009 0.000 0.337 321 F C 1.752 177.563 175.800 0.018 0.000 1.259 321 F CA -0.548 57.463 58.000 0.019 0.000 1.267 321 F CB 0.256 39.277 39.000 0.034 0.000 0.986 321 F HN 0.340 nan 8.300 nan 0.000 0.507 322 Q N 0.954 120.797 119.800 0.071 0.000 1.998 322 Q HA -0.182 4.164 4.340 0.010 0.000 0.209 322 Q C 0.613 176.653 176.000 0.066 0.000 1.002 322 Q CA 1.905 57.740 55.803 0.052 0.000 0.858 322 Q CB -0.052 28.689 28.738 0.006 0.000 0.932 322 Q HN 0.225 nan 8.270 nan 0.000 0.416 323 D N -0.113 120.320 120.400 0.055 0.000 3.139 323 D HA 0.185 4.831 4.640 0.010 0.000 0.268 323 D C -1.003 175.338 176.300 0.068 0.000 1.322 323 D CA -0.059 53.970 54.000 0.048 0.000 0.940 323 D CB 0.040 40.853 40.800 0.021 0.000 1.050 323 D HN 0.049 nan 8.370 nan 0.000 0.503 324 L N 1.148 122.436 121.223 0.109 0.000 2.381 324 L HA 0.329 4.674 4.340 0.010 0.000 0.274 324 L C -1.149 175.809 176.870 0.147 0.000 0.988 324 L CA -0.500 54.421 54.840 0.134 0.000 0.824 324 L CB 2.164 44.335 42.059 0.187 0.000 1.263 324 L HN -0.190 nan 8.230 nan 0.000 0.410 325 Q N 3.301 123.202 119.800 0.169 0.000 2.322 325 Q HA 0.781 5.127 4.340 0.010 0.000 0.265 325 Q C -1.354 174.917 176.000 0.452 0.000 0.985 325 Q CA -0.390 55.567 55.803 0.256 0.000 0.849 325 Q CB 2.573 31.387 28.738 0.127 0.000 1.274 325 Q HN 0.487 nan 8.270 nan 0.000 0.449 326 V N 2.696 122.849 119.914 0.399 0.000 2.789 326 V HA 0.509 4.634 4.120 0.010 0.000 0.311 326 V C -1.445 174.632 176.094 -0.029 0.000 1.073 326 V CA -0.911 61.531 62.300 0.236 0.000 0.921 326 V CB 2.091 33.962 31.823 0.081 0.000 1.009 326 V HN 0.598 nan 8.190 nan 0.000 0.426 327 L N 6.582 127.564 121.223 -0.401 0.000 2.325 327 L HA 0.895 5.241 4.340 0.010 0.000 0.281 327 L C -0.509 176.242 176.870 -0.199 0.000 1.004 327 L CA -0.167 54.345 54.840 -0.546 0.000 0.823 327 L CB 1.642 42.903 42.059 -1.331 0.000 1.236 327 L HN 0.605 nan 8.230 nan 0.000 0.415 328 V N 2.015 121.882 119.914 -0.079 0.000 2.962 328 V HA 1.134 5.260 4.120 0.010 0.000 0.313 328 V C -0.201 175.684 176.094 -0.348 0.000 1.099 328 V CA 0.176 62.413 62.300 -0.106 0.000 0.971 328 V CB 1.257 32.990 31.823 -0.149 0.000 1.028 328 V HN 1.099 nan 8.190 nan 0.000 0.430 329 G N 0.628 109.111 108.800 -0.528 0.000 2.441 329 G HA2 0.768 4.733 3.960 0.010 0.000 0.294 329 G HA3 0.768 4.733 3.960 0.010 0.000 0.294 329 G C -1.219 173.403 174.900 -0.463 0.000 1.393 329 G CA 0.079 44.476 45.100 -1.172 0.000 0.796 329 G HN 2.089 nan 8.290 nan 0.000 0.494 330 V N -2.424 117.333 119.914 -0.262 0.000 3.181 330 V HA 0.925 5.050 4.120 0.010 0.000 0.308 330 V C 0.245 176.524 176.094 0.309 0.000 1.214 330 V CA -0.426 61.928 62.300 0.090 0.000 1.053 330 V CB 1.154 33.005 31.823 0.045 0.000 1.069 330 V HN 1.865 nan 8.190 nan 0.000 0.441 331 V N -0.562 119.552 119.914 0.333 0.000 3.109 331 V HA 0.572 4.698 4.120 0.010 0.000 0.317 331 V C 1.419 177.705 176.094 0.320 0.000 1.074 331 V CA -0.010 62.540 62.300 0.416 0.000 1.033 331 V CB 1.222 33.278 31.823 0.389 0.000 1.111 331 V HN 1.075 nan 8.190 nan 0.000 0.458 332 K N 0.170 120.758 120.400 0.313 0.000 2.103 332 K HA -0.118 4.208 4.320 0.010 0.000 0.207 332 K C 0.022 176.748 176.600 0.209 0.000 1.048 332 K CA 2.217 58.641 56.287 0.229 0.000 0.930 332 K CB -0.044 32.569 32.500 0.189 0.000 0.716 332 K HN 0.961 nan 8.250 nan 0.000 0.444 333 D N 0.499 121.032 120.400 0.221 0.000 2.502 333 D HA 0.063 4.709 4.640 0.010 0.000 0.301 333 D C 0.049 176.489 176.300 0.234 0.000 1.202 333 D CA -0.207 53.916 54.000 0.206 0.000 0.878 333 D CB 1.363 42.266 40.800 0.173 0.000 1.062 333 D HN 0.026 nan 8.370 nan 0.000 0.499 334 E N 0.593 120.942 120.200 0.248 0.000 2.118 334 E HA -0.133 4.223 4.350 0.010 0.000 0.195 334 E C 2.082 178.877 176.600 0.326 0.000 0.992 334 E CA 0.961 57.540 56.400 0.299 0.000 0.804 334 E CB -0.009 29.835 29.700 0.241 0.000 0.741 334 E HN 0.533 nan 8.360 nan 0.000 0.458 335 G N 0.876 109.837 108.800 0.268 0.000 2.683 335 G HA2 -0.142 3.824 3.960 0.010 0.000 0.213 335 G HA3 -0.142 3.824 3.960 0.010 0.000 0.213 335 G C 1.692 176.782 174.900 0.318 0.000 1.142 335 G CA 0.792 46.080 45.100 0.313 0.000 0.793 335 G HN 0.355 nan 8.290 nan 0.000 0.534 336 S N 0.606 116.448 115.700 0.236 0.000 2.369 336 S HA -0.363 4.113 4.470 0.010 0.000 0.225 336 S C 2.075 176.717 174.600 0.070 0.000 1.043 336 S CA 1.602 59.910 58.200 0.180 0.000 1.074 336 S CB -1.055 62.165 63.200 0.034 0.000 0.962 336 S HN 0.434 nan 8.310 nan 0.000 0.433 337 Y N 2.130 122.295 120.300 -0.225 0.000 2.062 337 Y HA -0.297 4.259 4.550 0.010 0.000 0.273 337 Y C 2.020 177.736 175.900 -0.307 0.000 1.206 337 Y CA 2.247 60.048 58.100 -0.499 0.000 1.125 337 Y CB -0.760 37.280 38.460 -0.700 0.000 0.951 337 Y HN 0.293 nan 8.280 nan 0.000 0.501 338 F N -0.550 119.486 119.950 0.143 0.000 2.365 338 F HA -0.196 4.336 4.527 0.009 0.000 0.300 338 F C 2.087 177.943 175.800 0.093 0.000 1.090 338 F CA 0.932 58.990 58.000 0.098 0.000 1.408 338 F CB -0.602 38.386 39.000 -0.021 0.000 1.060 338 F HN 0.056 nan 8.300 nan 0.000 0.534 339 L N 0.017 121.338 121.223 0.163 0.000 2.083 339 L HA -0.163 4.183 4.340 0.010 0.000 0.209 339 L C 2.404 179.336 176.870 0.103 0.000 1.083 339 L CA 1.189 55.997 54.840 -0.053 0.000 0.752 339 L CB -0.998 40.791 42.059 -0.449 0.000 0.899 339 L HN 0.197 nan 8.230 nan 0.000 0.433 340 V N -4.820 115.218 119.914 0.208 0.000 3.380 340 V HA -0.166 3.959 4.120 0.010 0.000 0.268 340 V C 1.223 177.291 176.094 -0.044 0.000 1.168 340 V CA 0.812 63.221 62.300 0.181 0.000 1.156 340 V CB -1.176 30.783 31.823 0.225 0.000 0.785 340 V HN 0.296 nan 8.190 nan 0.000 0.487 341 Y N 1.756 122.074 120.300 0.030 0.000 2.645 341 Y HA 0.664 5.220 4.550 0.009 0.000 0.307 341 Y C 1.643 177.524 175.900 -0.031 0.000 1.151 341 Y CA 0.204 58.288 58.100 -0.027 0.000 1.291 341 Y CB 0.541 38.972 38.460 -0.049 0.000 1.135 341 Y HN 0.405 nan 8.280 nan 0.000 0.523 342 G N -1.428 107.423 108.800 0.085 0.000 3.658 342 G HA2 -0.097 3.869 3.960 0.010 0.000 0.220 342 G HA3 -0.097 3.869 3.960 0.010 0.000 0.220 342 G C -0.750 174.193 174.900 0.073 0.000 0.917 342 G CA -0.487 44.649 45.100 0.060 0.000 0.865 342 G HN -0.029 nan 8.290 nan 0.000 0.652 343 V N 2.818 122.792 119.914 0.100 0.000 2.364 343 V HA 0.424 4.550 4.120 0.010 0.000 0.272 343 V C -1.946 174.302 176.094 0.256 0.000 1.036 343 V CA -1.577 60.807 62.300 0.139 0.000 0.880 343 V CB 1.368 33.218 31.823 0.045 0.000 0.991 343 V HN 0.055 nan 8.190 nan 0.000 0.460 344 P HA 0.265 nan 4.420 nan 0.000 0.264 344 P C 0.967 178.357 177.300 0.150 0.000 1.193 344 P CA 1.218 64.398 63.100 0.135 0.000 0.763 344 P CB 0.690 32.437 31.700 0.078 0.000 0.810 345 G N 1.580 110.412 108.800 0.054 0.000 2.238 345 G HA2 -0.206 3.760 3.960 0.010 0.000 0.217 345 G HA3 -0.206 3.760 3.960 0.010 0.000 0.217 345 G C -0.187 174.529 174.900 -0.306 0.000 0.996 345 G CA -0.621 44.396 45.100 -0.138 0.000 0.632 345 G HN 0.392 nan 8.290 nan 0.000 0.503 346 F N 1.681 121.623 119.950 -0.014 0.000 2.420 346 F HA 0.795 5.327 4.527 0.009 0.000 0.342 346 F C 0.592 176.454 175.800 0.103 0.000 1.113 346 F CA -0.155 57.850 58.000 0.009 0.000 1.059 346 F CB 2.231 41.277 39.000 0.077 0.000 1.128 346 F HN 0.157 nan 8.300 nan 0.000 0.475 347 S N 1.770 117.659 115.700 0.316 0.000 2.550 347 S HA 0.305 4.781 4.470 0.010 0.000 0.270 347 S C 0.249 175.100 174.600 0.419 0.000 1.145 347 S CA -0.870 57.515 58.200 0.308 0.000 0.852 347 S CB 1.444 64.736 63.200 0.152 0.000 1.119 347 S HN 0.774 nan 8.310 nan 0.000 0.465 348 K N 1.128 121.670 120.400 0.237 0.000 2.418 348 K HA 0.145 4.471 4.320 0.010 0.000 0.195 348 K C -0.040 176.562 176.600 0.004 0.000 1.035 348 K CA 0.843 57.189 56.287 0.098 0.000 1.003 348 K CB -0.076 32.218 32.500 -0.343 0.000 0.793 348 K HN 0.457 nan 8.250 nan 0.000 0.494 349 D N 1.188 121.581 120.400 -0.010 0.000 2.339 349 D HA 0.004 4.650 4.640 0.010 0.000 0.217 349 D C -0.264 176.056 176.300 0.033 0.000 1.050 349 D CA 0.303 54.281 54.000 -0.037 0.000 0.856 349 D CB 0.127 40.880 40.800 -0.079 0.000 0.922 349 D HN 0.483 nan 8.370 nan 0.000 0.518 350 N N -0.976 117.782 118.700 0.097 0.000 2.902 350 N HA 0.086 4.831 4.740 0.010 0.000 0.268 350 N C 0.475 176.027 175.510 0.071 0.000 1.450 350 N CA -0.522 52.559 53.050 0.051 0.000 0.819 350 N CB 0.912 39.387 38.487 -0.020 0.000 1.540 350 N HN -0.446 nan 8.380 nan 0.000 0.545 351 E N -0.348 119.828 120.200 -0.040 0.000 2.409 351 E HA -0.035 4.321 4.350 0.010 0.000 0.198 351 E C -0.297 175.961 176.600 -0.569 0.000 1.024 351 E CA 0.673 56.978 56.400 -0.158 0.000 0.861 351 E CB -0.654 28.983 29.700 -0.105 0.000 0.788 351 E HN 0.607 nan 8.360 nan 0.000 0.521 352 S N -0.306 115.080 115.700 -0.523 0.000 3.587 352 S HA -0.193 4.283 4.470 0.010 0.000 0.337 352 S C 0.326 174.472 174.600 -0.756 0.000 1.119 352 S CA 0.158 57.894 58.200 -0.774 0.000 0.976 352 S CB -1.805 60.649 63.200 -1.244 0.000 0.922 352 S HN 0.289 nan 8.310 nan 0.000 0.503 353 L N 1.639 122.580 121.223 -0.469 0.000 2.462 353 L HA 0.358 4.704 4.340 0.010 0.000 0.272 353 L C 0.709 177.364 176.870 -0.357 0.000 1.166 353 L CA 0.214 54.843 54.840 -0.351 0.000 0.880 353 L CB 0.080 42.008 42.059 -0.218 0.000 1.142 353 L HN 0.436 nan 8.230 nan 0.000 0.473 354 I N 0.101 120.468 120.570 -0.339 0.000 2.910 354 I HA 0.644 4.819 4.170 0.010 0.000 0.310 354 I C 0.390 176.427 176.117 -0.132 0.000 1.043 354 I CA -0.687 60.453 61.300 -0.268 0.000 1.053 354 I CB 2.036 39.848 38.000 -0.314 0.000 1.242 354 I HN 0.549 nan 8.210 nan 0.000 0.452 355 S N 2.151 117.807 115.700 -0.072 0.000 2.669 355 S HA 0.383 4.859 4.470 0.010 0.000 0.270 355 S C 0.923 175.546 174.600 0.038 0.000 1.225 355 S CA -0.485 57.701 58.200 -0.023 0.000 0.991 355 S CB 1.538 64.732 63.200 -0.010 0.000 0.987 355 S HN 0.896 nan 8.310 nan 0.000 0.552 356 R N 0.336 120.866 120.500 0.049 0.000 2.092 356 R HA -0.045 4.300 4.340 0.010 0.000 0.231 356 R C 2.265 178.664 176.300 0.166 0.000 1.119 356 R CA 1.395 57.566 56.100 0.118 0.000 0.970 356 R CB -1.026 29.323 30.300 0.081 0.000 0.864 356 R HN 0.830 nan 8.270 nan 0.000 0.440 357 A N 0.660 123.538 122.820 0.098 0.000 1.902 357 A HA -0.197 4.129 4.320 0.010 0.000 0.217 357 A C 2.024 179.661 177.584 0.089 0.000 1.181 357 A CA 1.396 53.481 52.037 0.080 0.000 0.623 357 A CB -0.452 18.578 19.000 0.049 0.000 0.818 357 A HN 0.489 nan 8.150 nan 0.000 0.443 358 Q N -1.721 118.135 119.800 0.094 0.000 2.124 358 Q HA -0.154 4.192 4.340 0.010 0.000 0.202 358 Q C 1.878 177.991 176.000 0.188 0.000 0.977 358 Q CA 1.563 57.430 55.803 0.108 0.000 0.850 358 Q CB -0.308 28.469 28.738 0.064 0.000 0.901 358 Q HN 0.809 nan 8.270 nan 0.000 0.429 359 F N 1.148 121.129 119.950 0.051 0.000 2.075 359 F HA -0.228 4.305 4.527 0.009 0.000 0.297 359 F C 1.791 177.622 175.800 0.052 0.000 1.113 359 F CA 1.089 59.127 58.000 0.063 0.000 1.218 359 F CB 0.046 39.065 39.000 0.031 0.000 0.984 359 F HN -0.032 nan 8.300 nan 0.000 0.472 360 L N 0.200 121.369 121.223 -0.091 0.000 2.083 360 L HA -0.208 4.138 4.340 0.010 0.000 0.209 360 L C 2.792 179.579 176.870 -0.139 0.000 1.083 360 L CA 1.096 55.815 54.840 -0.201 0.000 0.752 360 L CB -1.435 40.598 42.059 -0.043 0.000 0.899 360 L HN 0.276 nan 8.230 nan 0.000 0.433 361 A N 0.604 123.397 122.820 -0.044 0.000 1.929 361 A HA -0.030 4.296 4.320 0.010 0.000 0.216 361 A C 2.439 180.009 177.584 -0.024 0.000 1.176 361 A CA 1.425 53.452 52.037 -0.017 0.000 0.628 361 A CB -1.054 17.960 19.000 0.023 0.000 0.816 361 A HN 0.414 nan 8.150 nan 0.000 0.444 362 G N -0.464 108.331 108.800 -0.007 0.000 2.422 362 G HA2 -0.102 3.864 3.960 0.010 0.000 0.218 362 G HA3 -0.102 3.864 3.960 0.010 0.000 0.218 362 G C 1.462 176.308 174.900 -0.089 0.000 1.146 362 G CA 1.198 46.300 45.100 0.003 0.000 0.769 362 G HN 0.301 nan 8.290 nan 0.000 0.547 363 V N 0.882 120.670 119.914 -0.210 0.000 2.407 363 V HA -0.129 3.997 4.120 0.010 0.000 0.248 363 V C 2.958 178.980 176.094 -0.121 0.000 1.055 363 V CA 1.576 63.742 62.300 -0.225 0.000 1.049 363 V CB -0.378 31.221 31.823 -0.374 0.000 0.662 363 V HN 0.204 nan 8.190 nan 0.000 0.455 364 R N -0.173 120.271 120.500 -0.093 0.000 2.115 364 R HA 0.069 4.414 4.340 0.010 0.000 0.230 364 R C 2.014 178.294 176.300 -0.034 0.000 1.111 364 R CA 1.257 57.326 56.100 -0.051 0.000 0.976 364 R CB -0.715 29.565 30.300 -0.034 0.000 0.870 364 R HN 0.487 nan 8.270 nan 0.000 0.445 365 I N -0.693 119.859 120.570 -0.030 0.000 2.584 365 I HA -0.038 4.138 4.170 0.010 0.000 0.255 365 I C 2.183 178.289 176.117 -0.018 0.000 1.145 365 I CA 1.186 62.478 61.300 -0.013 0.000 1.462 365 I CB -0.380 37.621 38.000 0.003 0.000 1.102 365 I HN 0.162 nan 8.210 nan 0.000 0.433 366 G N 0.421 109.198 108.800 -0.038 0.000 2.464 366 G HA2 -0.015 3.951 3.960 0.010 0.000 0.217 366 G HA3 -0.015 3.951 3.960 0.010 0.000 0.217 366 G C 0.882 175.747 174.900 -0.059 0.000 1.138 366 G CA 0.397 45.472 45.100 -0.042 0.000 0.793 366 G HN 0.248 nan 8.290 nan 0.000 0.539 367 V N 2.020 121.884 119.914 -0.083 0.000 2.454 367 V HA 0.207 4.332 4.120 0.010 0.000 0.255 367 V C -1.239 174.827 176.094 -0.045 0.000 1.009 367 V CA -1.055 61.161 62.300 -0.140 0.000 1.149 367 V CB 1.281 33.007 31.823 -0.162 0.000 1.418 367 V HN 0.079 nan 8.190 nan 0.000 0.567 368 P HA -0.213 nan 4.420 nan 0.000 0.217 368 P C 0.998 178.301 177.300 0.006 0.000 1.148 368 P CA 1.378 64.478 63.100 0.000 0.000 0.834 368 P CB 0.528 32.231 31.700 0.006 0.000 0.783 369 Q N -0.787 119.026 119.800 0.021 0.000 2.403 369 Q HA 0.305 4.650 4.340 0.010 0.000 0.203 369 Q C 0.785 176.791 176.000 0.009 0.000 0.932 369 Q CA -0.045 55.769 55.803 0.018 0.000 0.945 369 Q CB -0.245 28.513 28.738 0.034 0.000 1.045 369 Q HN 0.232 nan 8.270 nan 0.000 0.511 370 A N 0.488 123.308 122.820 0.001 0.000 2.354 370 A HA 0.522 4.848 4.320 0.010 0.000 0.269 370 A C 0.448 178.028 177.584 -0.007 0.000 1.109 370 A CA -0.411 51.623 52.037 -0.006 0.000 0.800 370 A CB 0.400 19.395 19.000 -0.009 0.000 1.045 370 A HN 0.333 nan 8.150 nan 0.000 0.489 371 S N 1.370 117.064 115.700 -0.010 0.000 2.640 371 S HA 0.161 4.637 4.470 0.010 0.000 0.262 371 S C 0.343 174.945 174.600 0.003 0.000 1.232 371 S CA 0.445 58.641 58.200 -0.006 0.000 0.988 371 S CB 0.261 63.455 63.200 -0.011 0.000 1.034 371 S HN 0.605 nan 8.310 nan 0.000 0.569 372 D N -0.080 120.325 120.400 0.008 0.000 2.117 372 D HA -0.013 4.633 4.640 0.010 0.000 0.198 372 D C 1.747 178.065 176.300 0.030 0.000 0.982 372 D CA 0.777 54.786 54.000 0.015 0.000 0.828 372 D CB -0.351 40.458 40.800 0.016 0.000 0.967 372 D HN 0.378 nan 8.370 nan 0.000 0.464 373 L N 0.661 121.903 121.223 0.032 0.000 2.027 373 L HA -0.016 4.330 4.340 0.010 0.000 0.206 373 L C 2.003 178.919 176.870 0.075 0.000 1.074 373 L CA 1.703 56.576 54.840 0.054 0.000 0.745 373 L CB -0.865 41.221 42.059 0.045 0.000 0.898 373 L HN 0.006 nan 8.230 nan 0.000 0.433 374 A N -0.462 122.384 122.820 0.044 0.000 1.902 374 A HA -0.088 4.238 4.320 0.010 0.000 0.217 374 A C 2.449 180.076 177.584 0.072 0.000 1.181 374 A CA 1.810 53.874 52.037 0.044 0.000 0.623 374 A CB -1.191 17.798 19.000 -0.019 0.000 0.818 374 A HN 0.577 nan 8.150 nan 0.000 0.443 375 A N -0.580 122.264 122.820 0.041 0.000 1.933 375 A HA -0.145 4.181 4.320 0.010 0.000 0.218 375 A C 1.986 179.600 177.584 0.050 0.000 1.175 375 A CA 2.112 54.164 52.037 0.024 0.000 0.628 375 A CB -0.432 18.564 19.000 -0.007 0.000 0.814 375 A HN 0.452 nan 8.150 nan 0.000 0.444 376 E N 0.308 120.553 120.200 0.074 0.000 2.106 376 E HA -0.046 4.310 4.350 0.010 0.000 0.192 376 E C 2.087 178.777 176.600 0.149 0.000 0.984 376 E CA 1.369 57.830 56.400 0.102 0.000 0.806 376 E CB -0.545 29.214 29.700 0.098 0.000 0.750 376 E HN 0.467 nan 8.360 nan 0.000 0.458 377 A N 0.002 122.933 122.820 0.186 0.000 1.902 377 A HA -0.153 4.173 4.320 0.010 0.000 0.217 377 A C 2.532 180.230 177.584 0.190 0.000 1.181 377 A CA 1.693 53.887 52.037 0.261 0.000 0.623 377 A CB -0.766 18.514 19.000 0.467 0.000 0.818 377 A HN 0.183 nan 8.150 nan 0.000 0.443 378 V N -0.440 119.601 119.914 0.212 0.000 2.295 378 V HA -0.232 3.894 4.120 0.010 0.000 0.246 378 V C 2.587 178.827 176.094 0.243 0.000 1.049 378 V CA 2.001 64.401 62.300 0.166 0.000 1.024 378 V CB -0.770 31.127 31.823 0.123 0.000 0.648 378 V HN 0.376 nan 8.190 nan 0.000 0.447 379 V N -0.105 119.908 119.914 0.164 0.000 2.332 379 V HA -0.263 3.863 4.120 0.010 0.000 0.248 379 V C 2.285 178.574 176.094 0.326 0.000 1.055 379 V CA 2.015 64.450 62.300 0.226 0.000 1.038 379 V CB -0.548 31.341 31.823 0.111 0.000 0.651 379 V HN 0.453 nan 8.190 nan 0.000 0.450 380 L N -0.730 120.675 121.223 0.303 0.000 2.141 380 L HA -0.176 4.169 4.340 0.010 0.000 0.209 380 L C 2.511 179.578 176.870 0.329 0.000 1.094 380 L CA 1.878 56.976 54.840 0.429 0.000 0.763 380 L CB -0.750 41.502 42.059 0.321 0.000 0.908 380 L HN 0.463 nan 8.230 nan 0.000 0.437 381 H N -0.902 118.175 119.070 0.012 0.000 2.403 381 H HA -0.139 4.422 4.556 0.008 0.000 0.298 381 H C 1.853 177.078 175.328 -0.171 0.000 1.059 381 H CA 1.670 57.580 56.048 -0.230 0.000 1.363 381 H CB 0.106 29.397 29.762 -0.786 0.000 1.410 381 H HN 0.199 nan 8.280 nan 0.000 0.528 382 Y N 0.035 120.396 120.300 0.102 0.000 2.517 382 Y HA 0.109 4.666 4.550 0.011 0.000 0.281 382 Y C 0.868 176.812 175.900 0.072 0.000 1.125 382 Y CA 0.476 58.663 58.100 0.145 0.000 1.283 382 Y CB 0.132 38.794 38.460 0.336 0.000 1.042 382 Y HN 0.036 nan 8.280 nan 0.000 0.547 383 T N 1.499 116.095 114.554 0.070 0.000 2.928 383 T HA -0.047 4.309 4.350 0.010 0.000 0.305 383 T C -0.255 174.155 174.700 -0.483 0.000 1.035 383 T CA -0.144 61.763 62.100 -0.321 0.000 1.145 383 T CB 0.232 68.553 68.868 -0.912 0.000 0.963 383 T HN 0.096 nan 8.240 nan 0.000 0.545 384 D N 2.172 122.289 120.400 -0.471 0.000 2.411 384 D HA 0.115 4.761 4.640 0.010 0.000 0.225 384 D C 0.112 176.146 176.300 -0.444 0.000 1.156 384 D CA -0.848 52.837 54.000 -0.524 0.000 0.874 384 D CB 0.226 40.452 40.800 -0.957 0.000 1.034 384 D HN 0.596 nan 8.370 nan 0.000 0.502 385 W N 3.052 124.291 121.300 -0.102 0.000 2.848 385 W HA 0.044 4.708 4.660 0.008 0.000 0.241 385 W C 1.810 178.250 176.519 -0.132 0.000 1.289 385 W CA -0.192 57.100 57.345 -0.088 0.000 1.396 385 W CB -0.023 29.393 29.460 -0.073 0.000 1.138 385 W HN 0.435 nan 8.180 nan 0.000 0.677 386 L N -1.064 120.129 121.223 -0.051 0.000 2.270 386 L HA -0.031 4.315 4.340 0.010 0.000 0.210 386 L C 0.094 176.590 176.870 -0.624 0.000 1.104 386 L CA 1.041 55.709 54.840 -0.287 0.000 0.804 386 L CB -0.127 41.764 42.059 -0.280 0.000 0.937 386 L HN 0.034 nan 8.230 nan 0.000 0.450 387 H N -1.850 117.146 119.070 -0.123 0.000 2.597 387 H HA 0.148 4.709 4.556 0.009 0.000 0.225 387 H C -1.886 173.342 175.328 -0.166 0.000 1.422 387 H CA -1.282 54.695 56.048 -0.119 0.000 1.335 387 H CB 0.109 29.799 29.762 -0.121 0.000 1.783 387 H HN -0.049 nan 8.280 nan 0.000 0.513 388 P HA -0.151 nan 4.420 nan 0.000 0.228 388 P C 0.526 177.761 177.300 -0.108 0.000 1.151 388 P CA 1.202 64.180 63.100 -0.203 0.000 0.770 388 P CB 0.734 32.308 31.700 -0.210 0.000 0.786 389 E N -0.428 119.750 120.200 -0.036 0.000 2.562 389 E HA 0.048 4.404 4.350 0.010 0.000 0.214 389 E C -0.092 176.498 176.600 -0.017 0.000 0.979 389 E CA -0.137 56.251 56.400 -0.020 0.000 1.002 389 E CB 0.010 29.710 29.700 0.001 0.000 1.048 389 E HN 0.294 nan 8.360 nan 0.000 0.488 390 D N 2.133 122.534 120.400 0.002 0.000 2.412 390 D HA -0.011 4.635 4.640 0.010 0.000 0.257 390 D C -1.630 174.648 176.300 -0.037 0.000 1.217 390 D CA -1.418 52.580 54.000 -0.004 0.000 0.897 390 D CB 1.378 42.184 40.800 0.009 0.000 1.132 390 D HN -0.169 nan 8.370 nan 0.000 0.493 391 P HA -0.148 nan 4.420 nan 0.000 0.215 391 P C 1.168 178.393 177.300 -0.125 0.000 1.153 391 P CA 1.137 64.175 63.100 -0.105 0.000 0.853 391 P CB 0.191 31.827 31.700 -0.106 0.000 0.788 392 T N -1.953 112.548 114.554 -0.089 0.000 2.746 392 T HA -0.196 4.159 4.350 0.010 0.000 0.267 392 T C 1.752 176.414 174.700 -0.063 0.000 1.039 392 T CA 1.693 63.746 62.100 -0.077 0.000 1.142 392 T CB -0.993 67.849 68.868 -0.043 0.000 0.866 392 T HN 0.277 nan 8.240 nan 0.000 0.444 393 H N 0.789 119.789 119.070 -0.117 0.000 2.389 393 H HA 0.131 4.693 4.556 0.009 0.000 0.299 393 H C 1.986 177.206 175.328 -0.181 0.000 1.081 393 H CA 1.150 57.125 56.048 -0.122 0.000 1.345 393 H CB -0.480 29.200 29.762 -0.137 0.000 1.393 393 H HN 0.247 nan 8.280 nan 0.000 0.520 394 L N 0.047 121.061 121.223 -0.349 0.000 2.046 394 L HA -0.150 4.195 4.340 0.010 0.000 0.208 394 L C 2.906 179.578 176.870 -0.331 0.000 1.077 394 L CA 1.442 55.962 54.840 -0.533 0.000 0.747 394 L CB -0.465 41.378 42.059 -0.359 0.000 0.896 394 L HN 0.293 nan 8.230 nan 0.000 0.432 395 R N 0.581 120.978 120.500 -0.172 0.000 2.070 395 R HA -0.192 4.154 4.340 0.010 0.000 0.233 395 R C 1.637 177.980 176.300 0.073 0.000 1.137 395 R CA 2.192 58.288 56.100 -0.007 0.000 0.945 395 R CB -0.443 29.743 30.300 -0.189 0.000 0.845 395 R HN 0.330 nan 8.270 nan 0.000 0.430 396 D N 0.364 120.743 120.400 -0.034 0.000 2.219 396 D HA -0.076 4.570 4.640 0.010 0.000 0.205 396 D C 1.649 177.938 176.300 -0.018 0.000 0.970 396 D CA 1.288 55.306 54.000 0.030 0.000 0.851 396 D CB -0.113 40.700 40.800 0.022 0.000 0.943 396 D HN 0.400 nan 8.370 nan 0.000 0.488 397 A N 0.464 123.148 122.820 -0.227 0.000 1.968 397 A HA -0.088 4.238 4.320 0.010 0.000 0.217 397 A C 2.096 179.735 177.584 0.093 0.000 1.169 397 A CA 1.024 52.980 52.037 -0.134 0.000 0.638 397 A CB -0.350 18.347 19.000 -0.505 0.000 0.812 397 A HN 0.125 nan 8.150 nan 0.000 0.446 398 M N -0.100 119.599 119.600 0.165 0.000 2.159 398 M HA -0.072 4.414 4.480 0.010 0.000 0.263 398 M C 2.253 178.599 176.300 0.076 0.000 1.063 398 M CA 2.030 57.487 55.300 0.261 0.000 1.110 398 M CB -0.555 32.237 32.600 0.320 0.000 1.374 398 M HN 0.380 nan 8.290 nan 0.000 0.411 399 S N -0.310 115.452 115.700 0.104 0.000 2.356 399 S HA -0.076 4.400 4.470 0.010 0.000 0.223 399 S C 2.062 176.737 174.600 0.125 0.000 1.032 399 S CA 1.486 59.766 58.200 0.132 0.000 1.005 399 S CB -0.594 62.747 63.200 0.236 0.000 0.867 399 S HN 0.626 nan 8.310 nan 0.000 0.449 400 A N 0.884 123.793 122.820 0.149 0.000 1.902 400 A HA -0.014 4.312 4.320 0.010 0.000 0.217 400 A C 2.355 180.003 177.584 0.107 0.000 1.181 400 A CA 1.816 53.981 52.037 0.213 0.000 0.623 400 A CB -1.133 18.102 19.000 0.393 0.000 0.818 400 A HN 0.455 nan 8.150 nan 0.000 0.443 401 V N -0.401 119.420 119.914 -0.155 0.000 2.255 401 V HA -0.261 3.865 4.120 0.010 0.000 0.247 401 V C 2.594 178.617 176.094 -0.120 0.000 1.051 401 V CA 2.184 64.309 62.300 -0.291 0.000 1.018 401 V CB -0.796 30.842 31.823 -0.307 0.000 0.641 401 V HN 0.386 nan 8.190 nan 0.000 0.445 402 V N 0.663 120.534 119.914 -0.072 0.000 2.343 402 V HA -0.163 3.963 4.120 0.010 0.000 0.247 402 V C 2.604 178.625 176.094 -0.121 0.000 1.051 402 V CA 2.163 64.417 62.300 -0.077 0.000 1.036 402 V CB -1.374 30.450 31.823 0.002 0.000 0.654 402 V HN 0.620 nan 8.190 nan 0.000 0.451 403 G N -0.266 108.524 108.800 -0.018 0.000 2.418 403 G HA2 -0.230 3.736 3.960 0.010 0.000 0.217 403 G HA3 -0.230 3.736 3.960 0.010 0.000 0.217 403 G C 1.227 176.071 174.900 -0.093 0.000 1.158 403 G CA 1.019 46.118 45.100 -0.002 0.000 0.771 403 G HN 0.511 nan 8.290 nan 0.000 0.545 404 D N -0.265 120.088 120.400 -0.078 0.000 2.117 404 D HA -0.072 4.574 4.640 0.010 0.000 0.198 404 D C 2.070 178.034 176.300 -0.560 0.000 0.982 404 D CA 1.233 55.135 54.000 -0.162 0.000 0.828 404 D CB -0.474 40.399 40.800 0.122 0.000 0.967 404 D HN 0.431 nan 8.370 nan 0.000 0.464 405 H N 0.957 119.433 119.070 -0.989 0.000 2.357 405 H HA 0.022 4.583 4.556 0.009 0.000 0.301 405 H C 1.485 176.406 175.328 -0.677 0.000 1.082 405 H CA 1.671 56.964 56.048 -1.259 0.000 1.342 405 H CB 0.096 29.099 29.762 -1.266 0.000 1.389 405 H HN -0.007 nan 8.280 nan 0.000 0.511 406 N N -0.769 117.523 118.700 -0.680 0.000 2.409 406 N HA -0.005 4.741 4.740 0.010 0.000 0.174 406 N C 1.166 176.448 175.510 -0.380 0.000 1.037 406 N CA 1.098 53.689 53.050 -0.765 0.000 0.898 406 N CB 1.047 38.501 38.487 -1.721 0.000 1.010 406 N HN 0.277 nan 8.380 nan 0.000 0.445 407 V N -0.396 119.355 119.914 -0.271 0.000 3.449 407 V HA 0.040 4.166 4.120 0.010 0.000 0.208 407 V C 2.215 178.269 176.094 -0.066 0.000 1.269 407 V CA 0.166 62.430 62.300 -0.061 0.000 1.301 407 V CB -0.262 31.599 31.823 0.064 0.000 1.306 407 V HN -0.185 nan 8.190 nan 0.000 0.531 408 V N 0.310 120.188 119.914 -0.060 0.000 2.231 408 V HA -0.350 3.776 4.120 0.010 0.000 0.248 408 V C 2.501 178.554 176.094 -0.068 0.000 1.054 408 V CA 2.771 65.043 62.300 -0.047 0.000 1.015 408 V CB -0.953 30.872 31.823 0.003 0.000 0.638 408 V HN 0.686 nan 8.190 nan 0.000 0.444 409 c N -0.507 118.040 118.600 -0.089 0.000 2.450 409 c HA 0.006 4.582 4.570 0.010 0.000 0.279 409 c C 0.533 174.578 174.090 -0.076 0.000 1.335 409 c CA 0.893 57.195 56.329 -0.044 0.000 1.749 409 c CB -1.713 40.792 42.510 -0.007 0.000 1.963 409 c HN 0.466 nan 8.230 nan 0.000 0.501 410 P HA -0.041 nan 4.420 nan 0.000 0.217 410 P C 1.793 179.024 177.300 -0.115 0.000 1.151 410 P CA 1.190 64.205 63.100 -0.141 0.000 0.828 410 P CB -0.083 31.499 31.700 -0.195 0.000 0.788 411 V N 0.241 120.091 119.914 -0.107 0.000 2.343 411 V HA -0.252 3.873 4.120 0.010 0.000 0.247 411 V C 2.417 178.420 176.094 -0.153 0.000 1.051 411 V CA 2.285 64.511 62.300 -0.124 0.000 1.036 411 V CB -1.663 30.086 31.823 -0.122 0.000 0.654 411 V HN 0.087 nan 8.190 nan 0.000 0.451 412 A N -0.420 122.323 122.820 -0.128 0.000 1.908 412 A HA -0.324 4.002 4.320 0.010 0.000 0.218 412 A C 2.170 179.719 177.584 -0.059 0.000 1.181 412 A CA 2.309 54.278 52.037 -0.112 0.000 0.627 412 A CB -0.570 18.411 19.000 -0.032 0.000 0.818 412 A HN 0.565 nan 8.150 nan 0.000 0.445 413 Q N -0.462 119.314 119.800 -0.039 0.000 2.030 413 Q HA -0.172 4.174 4.340 0.010 0.000 0.204 413 Q C 1.885 177.864 176.000 -0.036 0.000 0.986 413 Q CA 2.029 57.822 55.803 -0.016 0.000 0.843 413 Q CB -0.605 28.116 28.738 -0.028 0.000 0.904 413 Q HN 0.505 nan 8.270 nan 0.000 0.420 414 L N 0.305 121.479 121.223 -0.081 0.000 1.989 414 L HA -0.103 4.243 4.340 0.010 0.000 0.211 414 L C 2.193 178.998 176.870 -0.108 0.000 1.071 414 L CA 2.526 57.303 54.840 -0.104 0.000 0.749 414 L CB -1.323 40.657 42.059 -0.132 0.000 0.890 414 L HN 0.295 nan 8.230 nan 0.000 0.431 415 A N -0.544 122.178 122.820 -0.164 0.000 1.892 415 A HA -0.157 4.169 4.320 0.010 0.000 0.218 415 A C 2.350 179.947 177.584 0.020 0.000 1.188 415 A CA 1.914 53.817 52.037 -0.223 0.000 0.631 415 A CB -1.705 16.893 19.000 -0.669 0.000 0.822 415 A HN 0.577 nan 8.150 nan 0.000 0.447 416 G N -0.671 108.188 108.800 0.098 0.000 2.421 416 G HA2 -0.223 3.743 3.960 0.010 0.000 0.216 416 G HA3 -0.223 3.743 3.960 0.010 0.000 0.216 416 G C 1.671 176.654 174.900 0.139 0.000 1.171 416 G CA 0.880 46.111 45.100 0.217 0.000 0.775 416 G HN 0.426 nan 8.290 nan 0.000 0.543 417 R N 0.312 120.863 120.500 0.085 0.000 2.066 417 R HA 0.103 4.449 4.340 0.010 0.000 0.232 417 R C 2.681 179.064 176.300 0.138 0.000 1.131 417 R CA 0.547 56.710 56.100 0.104 0.000 0.955 417 R CB -1.278 29.076 30.300 0.089 0.000 0.851 417 R HN 0.400 nan 8.270 nan 0.000 0.432 418 L N 0.429 121.680 121.223 0.048 0.000 2.012 418 L HA -0.161 4.184 4.340 0.010 0.000 0.210 418 L C 2.656 179.606 176.870 0.133 0.000 1.073 418 L CA 1.558 56.414 54.840 0.027 0.000 0.748 418 L CB -0.762 41.213 42.059 -0.139 0.000 0.891 418 L HN 0.168 nan 8.230 nan 0.000 0.431 419 A N 0.094 122.994 122.820 0.133 0.000 1.877 419 A HA -0.185 4.141 4.320 0.010 0.000 0.216 419 A C 2.495 180.148 177.584 0.114 0.000 1.186 419 A CA 1.815 53.937 52.037 0.140 0.000 0.620 419 A CB -0.799 18.325 19.000 0.208 0.000 0.822 419 A HN 0.412 nan 8.150 nan 0.000 0.443 420 A N -1.148 121.743 122.820 0.117 0.000 2.070 420 A HA -0.112 4.214 4.320 0.010 0.000 0.220 420 A C 1.699 179.342 177.584 0.099 0.000 1.159 420 A CA 1.454 53.546 52.037 0.091 0.000 0.656 420 A CB -0.323 18.729 19.000 0.086 0.000 0.800 420 A HN 0.653 nan 8.150 nan 0.000 0.453 421 Q N -1.578 118.314 119.800 0.153 0.000 2.268 421 Q HA 0.407 4.752 4.340 0.010 0.000 0.289 421 Q C 0.803 176.891 176.000 0.148 0.000 0.893 421 Q CA 0.253 56.145 55.803 0.147 0.000 1.057 421 Q CB 0.387 29.237 28.738 0.187 0.000 1.173 421 Q HN 0.734 nan 8.270 nan 0.000 0.449 422 G N -0.088 108.783 108.800 0.118 0.000 2.213 422 G HA2 -0.295 3.671 3.960 0.010 0.000 0.236 422 G HA3 -0.295 3.671 3.960 0.010 0.000 0.236 422 G C 0.334 175.308 174.900 0.123 0.000 0.991 422 G CA -0.132 45.028 45.100 0.099 0.000 0.629 422 G HN 0.573 nan 8.290 nan 0.000 0.517 423 A N -0.175 122.746 122.820 0.167 0.000 2.304 423 A HA 0.800 5.126 4.320 0.010 0.000 0.271 423 A C 0.519 178.154 177.584 0.086 0.000 1.091 423 A CA 0.485 52.608 52.037 0.143 0.000 0.812 423 A CB 0.502 19.588 19.000 0.144 0.000 1.056 423 A HN 0.944 nan 8.150 nan 0.000 0.489 424 R N 1.114 121.662 120.500 0.081 0.000 2.207 424 R HA 0.525 4.871 4.340 0.010 0.000 0.334 424 R C -1.505 174.813 176.300 0.030 0.000 1.013 424 R CA -0.009 56.108 56.100 0.029 0.000 0.858 424 R CB 0.575 30.916 30.300 0.068 0.000 1.094 424 R HN 0.433 nan 8.270 nan 0.000 0.457 425 V N 5.707 125.578 119.914 -0.072 0.000 2.555 425 V HA 0.455 4.581 4.120 0.010 0.000 0.302 425 V C -1.087 174.880 176.094 -0.212 0.000 1.038 425 V CA -0.730 61.546 62.300 -0.040 0.000 0.887 425 V CB 1.593 33.448 31.823 0.054 0.000 0.991 425 V HN 0.673 nan 8.190 nan 0.000 0.434 426 Y N 1.970 122.264 120.300 -0.010 0.000 2.409 426 Y HA 0.795 5.350 4.550 0.009 0.000 0.343 426 Y C 0.270 176.274 175.900 0.175 0.000 0.973 426 Y CA -0.538 57.566 58.100 0.006 0.000 1.064 426 Y CB 2.276 40.415 38.460 -0.535 0.000 1.207 426 Y HN 0.763 nan 8.280 nan 0.000 0.452 427 A N 3.072 126.268 122.820 0.626 0.000 2.401 427 A HA 0.879 5.205 4.320 0.010 0.000 0.310 427 A C -1.873 176.038 177.584 0.545 0.000 1.075 427 A CA -0.682 51.581 52.037 0.378 0.000 0.746 427 A CB 1.167 20.211 19.000 0.073 0.000 1.277 427 A HN 0.754 nan 8.150 nan 0.000 0.425 428 Y N -0.634 119.867 120.300 0.335 0.000 2.655 428 Y HA 0.800 5.354 4.550 0.008 0.000 0.336 428 Y C -1.240 174.812 175.900 0.253 0.000 1.154 428 Y CA -1.673 56.574 58.100 0.245 0.000 1.055 428 Y CB 1.344 39.903 38.460 0.165 0.000 1.295 428 Y HN 0.724 nan 8.280 nan 0.000 0.465 429 I N 2.907 123.788 120.570 0.518 0.000 2.478 429 I HA 0.440 4.616 4.170 0.010 0.000 0.287 429 I C -1.917 174.536 176.117 0.559 0.000 1.042 429 I CA -0.964 60.596 61.300 0.434 0.000 1.067 429 I CB 1.105 39.296 38.000 0.318 0.000 1.233 429 I HN 0.734 nan 8.210 nan 0.000 0.431 430 F N 7.461 127.704 119.950 0.489 0.000 2.411 430 F HA 0.382 4.915 4.527 0.010 0.000 0.355 430 F C 0.571 176.526 175.800 0.259 0.000 1.117 430 F CA 0.130 58.351 58.000 0.368 0.000 1.139 430 F CB 0.892 40.121 39.000 0.382 0.000 1.120 430 F HN 0.536 nan 8.300 nan 0.000 0.493 431 E N 3.133 123.217 120.200 -0.192 0.000 2.583 431 E HA -0.010 4.346 4.350 0.010 0.000 0.213 431 E C -0.792 175.690 176.600 -0.197 0.000 0.989 431 E CA -0.172 56.176 56.400 -0.085 0.000 0.991 431 E CB 0.263 29.942 29.700 -0.035 0.000 1.040 431 E HN 0.534 nan 8.360 nan 0.000 0.481 432 H N 1.639 120.338 119.070 -0.618 0.000 2.517 432 H HA 0.231 4.793 4.556 0.009 0.000 0.317 432 H C -0.367 174.935 175.328 -0.043 0.000 1.080 432 H CA -0.602 55.172 56.048 -0.457 0.000 1.301 432 H CB 0.623 29.873 29.762 -0.853 0.000 1.425 432 H HN -0.129 nan 8.280 nan 0.000 0.471 433 R N 4.288 124.405 120.500 -0.637 0.000 2.221 433 R HA 0.504 4.850 4.340 0.010 0.000 0.327 433 R C -0.655 175.395 176.300 -0.417 0.000 1.033 433 R CA -0.642 55.277 56.100 -0.302 0.000 0.887 433 R CB 0.405 30.614 30.300 -0.151 0.000 1.057 433 R HN 0.787 nan 8.270 nan 0.000 0.455 434 A N 3.267 126.162 122.820 0.125 0.000 2.546 434 A HA -0.001 4.325 4.320 0.010 0.000 0.243 434 A C 1.381 179.079 177.584 0.190 0.000 1.063 434 A CA 0.533 52.836 52.037 0.443 0.000 0.757 434 A CB 0.285 19.644 19.000 0.599 0.000 0.991 434 A HN 1.038 nan 8.150 nan 0.000 0.503 435 S N 1.611 117.456 115.700 0.242 0.000 2.419 435 S HA -0.174 4.302 4.470 0.010 0.000 0.233 435 S C 1.398 175.994 174.600 -0.008 0.000 1.016 435 S CA 1.745 60.004 58.200 0.097 0.000 0.974 435 S CB -0.832 62.443 63.200 0.125 0.000 0.786 435 S HN 1.293 nan 8.310 nan 0.000 0.492 436 T N -0.955 113.558 114.554 -0.068 0.000 3.107 436 T HA 0.341 4.697 4.350 0.010 0.000 0.249 436 T C 0.428 175.064 174.700 -0.107 0.000 1.096 436 T CA -0.541 61.458 62.100 -0.169 0.000 1.012 436 T CB -0.502 68.131 68.868 -0.392 0.000 0.977 436 T HN 0.231 nan 8.240 nan 0.000 0.527 437 L N 4.071 125.273 121.223 -0.035 0.000 2.525 437 L HA 0.219 4.565 4.340 0.010 0.000 0.278 437 L C 1.520 178.337 176.870 -0.089 0.000 1.218 437 L CA 0.960 55.768 54.840 -0.053 0.000 0.878 437 L CB 0.769 42.803 42.059 -0.041 0.000 1.127 437 L HN 0.470 nan 8.230 nan 0.000 0.492 438 T N -0.584 113.874 114.554 -0.161 0.000 3.054 438 T HA 0.150 4.506 4.350 0.010 0.000 0.255 438 T C 0.242 174.899 174.700 -0.072 0.000 1.035 438 T CA -0.507 61.485 62.100 -0.180 0.000 0.941 438 T CB -0.316 68.324 68.868 -0.379 0.000 1.026 438 T HN 0.387 nan 8.240 nan 0.000 0.533 439 W N 3.453 124.741 121.300 -0.019 0.000 2.237 439 W HA 0.463 5.129 4.660 0.010 0.000 0.335 439 W C -1.977 174.449 176.519 -0.155 0.000 1.230 439 W CA -2.263 55.065 57.345 -0.028 0.000 1.253 439 W CB 0.362 29.724 29.460 -0.163 0.000 1.129 439 W HN -0.046 nan 8.180 nan 0.000 0.590 440 P HA -0.055 nan 4.420 nan 0.000 0.269 440 P C 0.536 177.753 177.300 -0.138 0.000 1.217 440 P CA 0.289 63.341 63.100 -0.080 0.000 0.783 440 P CB 0.925 32.561 31.700 -0.107 0.000 0.898 441 L N 0.754 121.964 121.223 -0.022 0.000 2.127 441 L HA -0.135 4.211 4.340 0.010 0.000 0.211 441 L C 2.617 179.516 176.870 0.048 0.000 1.089 441 L CA 1.378 56.226 54.840 0.013 0.000 0.757 441 L CB -0.962 41.136 42.059 0.064 0.000 0.899 441 L HN 0.616 nan 8.230 nan 0.000 0.434 442 W N -0.560 120.784 121.300 0.072 0.000 2.421 442 W HA -0.174 4.491 4.660 0.009 0.000 0.270 442 W C 1.693 178.270 176.519 0.096 0.000 1.233 442 W CA 0.539 57.931 57.345 0.077 0.000 1.226 442 W CB -0.803 28.703 29.460 0.076 0.000 1.121 442 W HN 0.201 nan 8.180 nan 0.000 0.579 443 M N 1.306 120.614 119.600 -0.487 0.000 2.619 443 M HA 0.116 4.602 4.480 0.010 0.000 0.251 443 M C 1.814 178.049 176.300 -0.108 0.000 1.106 443 M CA 1.417 56.433 55.300 -0.474 0.000 1.086 443 M CB -0.553 31.595 32.600 -0.754 0.000 1.465 443 M HN 0.193 nan 8.290 nan 0.000 0.506 444 G N 0.544 109.327 108.800 -0.028 0.000 2.591 444 G HA2 -0.297 3.669 3.960 0.010 0.000 0.298 444 G HA3 -0.297 3.669 3.960 0.010 0.000 0.298 444 G C -0.128 174.793 174.900 0.034 0.000 1.195 444 G CA -0.085 45.036 45.100 0.034 0.000 0.989 444 G HN 0.234 nan 8.290 nan 0.000 0.551 445 V N 3.619 123.594 119.914 0.103 0.000 2.270 445 V HA 0.446 4.572 4.120 0.010 0.000 0.263 445 V C -1.739 174.484 176.094 0.215 0.000 1.066 445 V CA -0.789 61.622 62.300 0.184 0.000 0.857 445 V CB 0.960 32.950 31.823 0.279 0.000 1.099 445 V HN 0.536 nan 8.190 nan 0.000 0.476 446 P HA 0.139 nan 4.420 nan 0.000 0.274 446 P C -0.170 177.338 177.300 0.346 0.000 1.246 446 P CA -0.453 62.767 63.100 0.201 0.000 0.795 446 P CB 0.362 32.074 31.700 0.020 0.000 1.006 447 H N 0.660 119.786 119.070 0.094 0.000 3.125 447 H HA 0.229 4.790 4.556 0.009 0.000 0.310 447 H C 1.596 176.804 175.328 -0.199 0.000 0.980 447 H CA 2.342 58.371 56.048 -0.032 0.000 1.422 447 H CB -0.711 28.975 29.762 -0.128 0.000 1.432 447 H HN 0.748 nan 8.280 nan 0.000 0.577 448 G N 3.497 112.035 108.800 -0.437 0.000 2.217 448 G HA2 -0.329 3.636 3.960 0.010 0.000 0.246 448 G HA3 -0.329 3.636 3.960 0.010 0.000 0.246 448 G C 0.652 175.381 174.900 -0.286 0.000 0.990 448 G CA 0.394 45.202 45.100 -0.487 0.000 0.627 448 G HN 0.648 nan 8.290 nan 0.000 0.522 449 Y N 1.633 122.002 120.300 0.114 0.000 2.462 449 Y HA 0.234 4.789 4.550 0.009 0.000 0.293 449 Y C 2.341 178.335 175.900 0.157 0.000 1.195 449 Y CA 1.046 59.278 58.100 0.220 0.000 1.276 449 Y CB 0.382 39.017 38.460 0.291 0.000 1.082 449 Y HN 0.529 nan 8.280 nan 0.000 0.514 450 E N 0.089 120.222 120.200 -0.111 0.000 2.364 450 E HA -0.045 4.311 4.350 0.010 0.000 0.196 450 E C 1.601 178.057 176.600 -0.241 0.000 0.990 450 E CA 0.539 56.529 56.400 -0.684 0.000 0.886 450 E CB -0.412 28.479 29.700 -1.349 0.000 0.866 450 E HN 0.532 nan 8.360 nan 0.000 0.493 451 I N 2.869 123.389 120.570 -0.085 0.000 2.151 451 I HA -0.325 3.851 4.170 0.010 0.000 0.243 451 I C 2.670 178.758 176.117 -0.049 0.000 1.080 451 I CA 2.227 63.519 61.300 -0.014 0.000 1.339 451 I CB -0.642 37.410 38.000 0.087 0.000 1.039 451 I HN 0.197 nan 8.210 nan 0.000 0.409 452 E N 1.052 121.169 120.200 -0.138 0.000 2.219 452 E HA -0.241 4.114 4.350 0.010 0.000 0.198 452 E C 1.996 178.330 176.600 -0.444 0.000 0.998 452 E CA 1.549 57.766 56.400 -0.304 0.000 0.818 452 E CB -0.527 28.968 29.700 -0.342 0.000 0.741 452 E HN 0.466 nan 8.360 nan 0.000 0.477 453 F N 1.121 120.958 119.950 -0.188 0.000 2.270 453 F HA 0.012 4.546 4.527 0.012 0.000 0.295 453 F C 2.291 177.866 175.800 -0.374 0.000 1.087 453 F CA 0.448 58.290 58.000 -0.264 0.000 1.365 453 F CB -0.051 38.880 39.000 -0.115 0.000 1.056 453 F HN -0.028 nan 8.300 nan 0.000 0.506 454 I N -0.946 119.465 120.570 -0.265 0.000 2.286 454 I HA -0.264 3.912 4.170 0.010 0.000 0.248 454 I C 2.017 177.889 176.117 -0.409 0.000 1.115 454 I CA 1.606 62.588 61.300 -0.530 0.000 1.392 454 I CB -1.378 36.163 38.000 -0.766 0.000 1.065 454 I HN 0.085 nan 8.210 nan 0.000 0.418 455 F N 1.029 120.787 119.950 -0.321 0.000 2.780 455 F HA 0.194 4.727 4.527 0.010 0.000 0.299 455 F C 1.910 177.578 175.800 -0.220 0.000 1.146 455 F CA 0.855 58.714 58.000 -0.235 0.000 1.428 455 F CB -0.281 38.566 39.000 -0.255 0.000 1.115 455 F HN 0.293 nan 8.300 nan 0.000 0.583 456 G N -0.062 108.596 108.800 -0.237 0.000 2.136 456 G HA2 -0.303 3.662 3.960 0.010 0.000 0.242 456 G HA3 -0.303 3.662 3.960 0.010 0.000 0.242 456 G C 0.997 175.333 174.900 -0.939 0.000 0.989 456 G CA 0.343 45.181 45.100 -0.437 0.000 0.682 456 G HN 0.290 nan 8.290 nan 0.000 0.522 457 L N 0.498 121.194 121.223 -0.878 0.000 2.081 457 L HA 0.007 4.353 4.340 0.010 0.000 0.212 457 L C 0.453 176.780 176.870 -0.905 0.000 1.080 457 L CA 2.769 57.017 54.840 -0.986 0.000 0.754 457 L CB -1.042 40.696 42.059 -0.536 0.000 0.893 457 L HN 0.218 nan 8.230 nan 0.000 0.433 458 P HA -0.158 nan 4.420 nan 0.000 0.223 458 P C 1.580 178.641 177.300 -0.398 0.000 1.144 458 P CA 0.879 63.437 63.100 -0.903 0.000 0.783 458 P CB 0.044 31.198 31.700 -0.910 0.000 0.771 459 L N -1.281 119.649 121.223 -0.487 0.000 2.465 459 L HA -0.021 4.325 4.340 0.010 0.000 0.224 459 L C 0.919 177.701 176.870 -0.148 0.000 1.145 459 L CA 1.168 55.846 54.840 -0.272 0.000 0.834 459 L CB -0.992 40.924 42.059 -0.238 0.000 0.944 459 L HN -0.051 nan 8.230 nan 0.000 0.451 460 D N -0.475 119.803 120.400 -0.204 0.000 2.365 460 D HA 0.098 4.744 4.640 0.010 0.000 0.237 460 D C -1.621 174.692 176.300 0.021 0.000 1.190 460 D CA -2.063 51.938 54.000 0.003 0.000 0.867 460 D CB 1.604 42.441 40.800 0.061 0.000 1.050 460 D HN -0.050 nan 8.370 nan 0.000 0.491 461 P HA -0.196 nan 4.420 nan 0.000 0.216 461 P C 1.328 178.643 177.300 0.025 0.000 1.154 461 P CA 1.401 64.519 63.100 0.030 0.000 0.865 461 P CB 0.087 31.802 31.700 0.025 0.000 0.789 462 S N -1.213 114.500 115.700 0.022 0.000 2.500 462 S HA -0.080 4.396 4.470 0.010 0.000 0.239 462 S C 1.628 176.222 174.600 -0.011 0.000 0.989 462 S CA 0.838 59.040 58.200 0.004 0.000 0.951 462 S CB -1.407 61.795 63.200 0.004 0.000 0.759 462 S HN 0.129 nan 8.310 nan 0.000 0.523 463 L N 0.736 121.966 121.223 0.012 0.000 2.591 463 L HA 0.188 4.533 4.340 0.010 0.000 0.228 463 L C 0.165 176.959 176.870 -0.128 0.000 1.133 463 L CA -0.123 54.704 54.840 -0.022 0.000 0.880 463 L CB -0.778 41.341 42.059 0.101 0.000 1.033 463 L HN 0.224 nan 8.230 nan 0.000 0.450 464 N N -1.107 117.557 118.700 -0.059 0.000 2.747 464 N HA -0.236 4.510 4.740 0.010 0.000 0.249 464 N C -0.495 174.940 175.510 -0.124 0.000 1.107 464 N CA 0.885 53.881 53.050 -0.090 0.000 0.707 464 N CB -1.772 36.638 38.487 -0.128 0.000 1.054 464 N HN 0.304 nan 8.380 nan 0.000 0.555 465 Y N 0.637 120.923 120.300 -0.022 0.000 2.300 465 Y HA 0.232 4.788 4.550 0.010 0.000 0.328 465 Y C 1.870 177.794 175.900 0.039 0.000 1.270 465 Y CA 0.031 58.143 58.100 0.020 0.000 1.352 465 Y CB 0.598 39.057 38.460 -0.000 0.000 1.286 465 Y HN 0.093 nan 8.280 nan 0.000 0.536 466 T N -2.640 112.062 114.554 0.246 0.000 2.828 466 T HA 0.049 4.405 4.350 0.010 0.000 0.290 466 T C 1.132 175.914 174.700 0.136 0.000 1.019 466 T CA -0.336 61.854 62.100 0.150 0.000 1.031 466 T CB 0.918 69.865 68.868 0.132 0.000 1.001 466 T HN 0.722 nan 8.240 nan 0.000 0.531 467 T N 1.436 116.040 114.554 0.083 0.000 2.759 467 T HA -0.094 4.261 4.350 0.010 0.000 0.269 467 T C 1.766 176.502 174.700 0.060 0.000 1.042 467 T CA 1.949 64.086 62.100 0.061 0.000 1.140 467 T CB -0.425 68.466 68.868 0.038 0.000 0.864 467 T HN 0.792 nan 8.240 nan 0.000 0.455 468 E N 1.175 121.406 120.200 0.053 0.000 2.110 468 E HA -0.097 4.259 4.350 0.010 0.000 0.193 468 E C 2.229 178.865 176.600 0.060 0.000 0.988 468 E CA 0.969 57.385 56.400 0.025 0.000 0.804 468 E CB -0.171 29.515 29.700 -0.023 0.000 0.745 468 E HN 0.569 nan 8.360 nan 0.000 0.458 469 E N 0.405 120.681 120.200 0.128 0.000 2.110 469 E HA -0.171 4.185 4.350 0.010 0.000 0.193 469 E C 2.134 178.877 176.600 0.239 0.000 0.988 469 E CA 0.554 57.122 56.400 0.280 0.000 0.804 469 E CB -0.034 29.967 29.700 0.502 0.000 0.745 469 E HN 0.047 nan 8.360 nan 0.000 0.458 470 R N 1.065 121.634 120.500 0.114 0.000 2.092 470 R HA -0.107 4.239 4.340 0.010 0.000 0.231 470 R C 2.112 178.424 176.300 0.020 0.000 1.119 470 R CA 1.003 57.112 56.100 0.017 0.000 0.970 470 R CB -0.256 30.049 30.300 0.007 0.000 0.864 470 R HN 0.230 nan 8.270 nan 0.000 0.440 471 I N 0.158 120.760 120.570 0.052 0.000 2.353 471 I HA -0.245 3.930 4.170 0.010 0.000 0.248 471 I C 2.197 178.356 176.117 0.071 0.000 1.119 471 I CA 0.707 62.030 61.300 0.039 0.000 1.417 471 I CB -0.351 37.670 38.000 0.036 0.000 1.078 471 I HN 0.068 nan 8.210 nan 0.000 0.421 472 F N 2.096 122.006 119.950 -0.067 0.000 2.102 472 F HA -0.212 4.320 4.527 0.008 0.000 0.298 472 F C 2.468 178.252 175.800 -0.027 0.000 1.105 472 F CA 1.274 59.220 58.000 -0.090 0.000 1.239 472 F CB -0.674 38.205 39.000 -0.201 0.000 0.991 472 F HN 0.012 nan 8.300 nan 0.000 0.474 473 A N 0.152 122.925 122.820 -0.078 0.000 1.883 473 A HA -0.271 4.055 4.320 0.010 0.000 0.217 473 A C 2.163 179.620 177.584 -0.212 0.000 1.186 473 A CA 2.000 53.933 52.037 -0.174 0.000 0.624 473 A CB -1.005 17.905 19.000 -0.151 0.000 0.822 473 A HN 0.613 nan 8.150 nan 0.000 0.444 474 Q N -0.884 118.830 119.800 -0.144 0.000 2.135 474 Q HA -0.188 4.157 4.340 0.010 0.000 0.204 474 Q C 2.392 178.286 176.000 -0.177 0.000 0.981 474 Q CA 1.578 57.303 55.803 -0.130 0.000 0.856 474 Q CB -0.197 28.493 28.738 -0.080 0.000 0.902 474 Q HN 0.622 nan 8.270 nan 0.000 0.425 475 R N 0.311 120.687 120.500 -0.207 0.000 2.073 475 R HA -0.118 4.228 4.340 0.010 0.000 0.234 475 R C 2.348 178.363 176.300 -0.474 0.000 1.134 475 R CA 1.219 57.115 56.100 -0.339 0.000 0.952 475 R CB -0.344 29.816 30.300 -0.234 0.000 0.850 475 R HN 0.240 nan 8.270 nan 0.000 0.433 476 L N 0.127 121.148 121.223 -0.336 0.000 2.046 476 L HA -0.198 4.147 4.340 0.010 0.000 0.208 476 L C 2.564 179.402 176.870 -0.054 0.000 1.077 476 L CA 1.373 56.126 54.840 -0.146 0.000 0.747 476 L CB -0.365 41.461 42.059 -0.389 0.000 0.896 476 L HN 0.250 nan 8.230 nan 0.000 0.432 477 M N -0.798 118.705 119.600 -0.163 0.000 2.149 477 M HA -0.199 4.287 4.480 0.010 0.000 0.261 477 M C 2.312 178.609 176.300 -0.004 0.000 1.064 477 M CA 1.555 56.792 55.300 -0.104 0.000 1.102 477 M CB -0.331 32.192 32.600 -0.129 0.000 1.369 477 M HN 0.097 nan 8.290 nan 0.000 0.408 478 K N -0.158 120.201 120.400 -0.068 0.000 2.026 478 K HA -0.137 4.189 4.320 0.010 0.000 0.208 478 K C 1.905 178.558 176.600 0.089 0.000 1.048 478 K CA 1.604 57.863 56.287 -0.047 0.000 0.929 478 K CB -0.450 31.956 32.500 -0.157 0.000 0.713 478 K HN 0.316 nan 8.250 nan 0.000 0.439 479 Y N -0.045 120.371 120.300 0.194 0.000 2.097 479 Y HA -0.234 4.323 4.550 0.012 0.000 0.282 479 Y C 2.432 178.449 175.900 0.195 0.000 1.152 479 Y CA 0.719 58.962 58.100 0.238 0.000 1.136 479 Y CB -0.860 37.883 38.460 0.472 0.000 0.975 479 Y HN 0.222 nan 8.280 nan 0.000 0.498 480 W N 0.627 122.002 121.300 0.124 0.000 2.355 480 W HA -0.232 4.433 4.660 0.009 0.000 0.309 480 W C 2.519 179.033 176.519 -0.009 0.000 1.206 480 W CA 2.338 59.688 57.345 0.009 0.000 1.284 480 W CB -0.682 28.706 29.460 -0.120 0.000 1.145 480 W HN 0.237 nan 8.180 nan 0.000 0.502 481 T N -1.933 112.721 114.554 0.166 0.000 2.867 481 T HA -0.155 4.200 4.350 0.010 0.000 0.268 481 T C 1.447 176.168 174.700 0.036 0.000 1.057 481 T CA 1.240 63.372 62.100 0.053 0.000 1.136 481 T CB -0.620 68.260 68.868 0.020 0.000 0.874 481 T HN -0.072 nan 8.240 nan 0.000 0.466 482 N N 0.963 119.701 118.700 0.063 0.000 2.084 482 N HA -0.005 4.740 4.740 0.010 0.000 0.190 482 N C 1.395 176.886 175.510 -0.031 0.000 1.030 482 N CA 1.050 54.113 53.050 0.021 0.000 0.849 482 N CB -0.700 37.819 38.487 0.054 0.000 1.012 482 N HN 0.479 nan 8.380 nan 0.000 0.423 483 F N 1.637 121.487 119.950 -0.166 0.000 2.134 483 F HA -0.101 4.432 4.527 0.009 0.000 0.299 483 F C 2.149 177.854 175.800 -0.158 0.000 1.097 483 F CA 1.367 59.215 58.000 -0.253 0.000 1.264 483 F CB -0.372 38.385 39.000 -0.406 0.000 1.001 483 F HN 0.036 nan 8.300 nan 0.000 0.479 484 A N 0.537 123.297 122.820 -0.101 0.000 1.933 484 A HA -0.156 4.170 4.320 0.010 0.000 0.218 484 A C 2.339 179.819 177.584 -0.175 0.000 1.175 484 A CA 1.625 53.580 52.037 -0.137 0.000 0.628 484 A CB -0.625 18.354 19.000 -0.035 0.000 0.814 484 A HN 0.462 nan 8.150 nan 0.000 0.444 485 R N -1.080 119.340 120.500 -0.134 0.000 2.073 485 R HA -0.055 4.291 4.340 0.010 0.000 0.229 485 R C 2.004 178.214 176.300 -0.151 0.000 1.120 485 R CA 1.803 57.835 56.100 -0.112 0.000 0.967 485 R CB -0.250 30.010 30.300 -0.066 0.000 0.862 485 R HN 0.703 nan 8.270 nan 0.000 0.436 486 T N -5.001 109.435 114.554 -0.197 0.000 3.004 486 T HA 0.250 4.605 4.350 0.010 0.000 0.266 486 T C 1.166 175.704 174.700 -0.269 0.000 0.986 486 T CA 0.395 62.383 62.100 -0.187 0.000 0.902 486 T CB 1.343 70.139 68.868 -0.119 0.000 1.118 486 T HN 0.341 nan 8.240 nan 0.000 0.522 487 G N 1.223 109.708 108.800 -0.524 0.000 2.143 487 G HA2 -0.166 3.800 3.960 0.010 0.000 0.249 487 G HA3 -0.166 3.800 3.960 0.010 0.000 0.249 487 G C -0.373 174.332 174.900 -0.325 0.000 0.981 487 G CA 0.177 44.855 45.100 -0.703 0.000 0.665 487 G HN 0.779 nan 8.290 nan 0.000 0.528 488 D N -0.492 119.748 120.400 -0.266 0.000 2.788 488 D HA 0.423 5.068 4.640 0.010 0.000 0.247 488 D C -1.237 174.879 176.300 -0.307 0.000 1.236 488 D CA -1.473 52.364 54.000 -0.272 0.000 0.898 488 D CB 2.235 42.974 40.800 -0.101 0.000 1.401 488 D HN 0.015 nan 8.370 nan 0.000 0.549 489 P HA -0.081 nan 4.420 nan 0.000 0.226 489 P C 0.124 177.415 177.300 -0.016 0.000 1.153 489 P CA 0.202 63.086 63.100 -0.360 0.000 0.777 489 P CB 0.456 31.574 31.700 -0.969 0.000 0.794 490 N N 1.705 120.363 118.700 -0.070 0.000 2.479 490 N HA 0.008 4.754 4.740 0.010 0.000 0.257 490 N C 0.065 175.637 175.510 0.103 0.000 1.232 490 N CA 0.462 53.578 53.050 0.109 0.000 0.920 490 N CB 0.383 38.925 38.487 0.091 0.000 1.105 490 N HN 0.041 nan 8.380 nan 0.000 0.444 491 D N 1.820 122.302 120.400 0.137 0.000 2.313 491 D HA 0.202 4.848 4.640 0.010 0.000 0.239 491 D C -1.592 174.748 176.300 0.066 0.000 1.142 491 D CA -1.929 52.122 54.000 0.085 0.000 0.847 491 D CB 1.272 42.119 40.800 0.078 0.000 1.082 491 D HN 0.213 nan 8.370 nan 0.000 0.480 492 P HA -0.085 nan 4.420 nan 0.000 0.216 492 P C -0.137 177.185 177.300 0.038 0.000 1.150 492 P CA 0.993 64.116 63.100 0.038 0.000 0.837 492 P CB 0.231 31.945 31.700 0.024 0.000 0.786 493 R N 0.724 121.244 120.500 0.034 0.000 4.071 493 R HA 0.318 4.664 4.340 0.010 0.000 0.220 493 R C -0.298 176.024 176.300 0.036 0.000 1.614 493 R CA 0.111 56.229 56.100 0.030 0.000 1.505 493 R CB -0.739 29.574 30.300 0.023 0.000 1.384 493 R HN 0.017 nan 8.270 nan 0.000 0.758 494 D N -0.260 120.167 120.400 0.045 0.000 2.198 494 D HA -0.020 4.626 4.640 0.010 0.000 0.147 494 D C -0.429 175.908 176.300 0.062 0.000 1.149 494 D CA -0.063 53.967 54.000 0.051 0.000 1.107 494 D CB 0.662 41.496 40.800 0.056 0.000 2.198 494 D HN 0.117 nan 8.370 nan 0.000 0.584 495 S N 1.576 117.308 115.700 0.053 0.000 2.503 495 S HA 0.075 4.551 4.470 0.010 0.000 0.215 495 S C 2.124 176.759 174.600 0.059 0.000 1.003 495 S CA 0.913 59.148 58.200 0.057 0.000 0.910 495 S CB 0.742 63.970 63.200 0.046 0.000 0.790 495 S HN 0.643 nan 8.310 nan 0.000 0.514 496 K N 2.129 122.561 120.400 0.054 0.000 1.965 496 K HA 0.106 4.431 4.320 0.010 0.000 0.214 496 K C 1.092 177.730 176.600 0.064 0.000 1.046 496 K CA 1.418 57.735 56.287 0.051 0.000 0.944 496 K CB -1.457 31.068 32.500 0.043 0.000 0.726 496 K HN 0.359 nan 8.250 nan 0.000 0.441 497 S N 2.511 118.257 115.700 0.076 0.000 2.702 497 S HA 0.132 4.608 4.470 0.010 0.000 0.314 497 S C -2.154 172.514 174.600 0.113 0.000 1.244 497 S CA -0.404 57.856 58.200 0.100 0.000 1.058 497 S CB 0.355 63.632 63.200 0.129 0.000 0.783 497 S HN 0.563 nan 8.310 nan 0.000 0.503 498 P HA 0.018 nan 4.420 nan 0.000 0.266 498 P C -0.463 176.924 177.300 0.145 0.000 1.195 498 P CA -0.279 62.882 63.100 0.102 0.000 0.768 498 P CB 0.478 32.222 31.700 0.073 0.000 0.838 499 Q N 1.154 121.043 119.800 0.149 0.000 2.354 499 Q HA 0.122 4.468 4.340 0.010 0.000 0.244 499 Q C -0.349 175.814 176.000 0.272 0.000 0.969 499 Q CA 0.274 56.200 55.803 0.204 0.000 0.885 499 Q CB 0.591 29.434 28.738 0.174 0.000 1.241 499 Q HN 0.592 nan 8.270 nan 0.000 0.461 500 W N 5.658 127.015 121.300 0.095 0.000 2.311 500 W HA 0.333 4.998 4.660 0.008 0.000 0.317 500 W C -2.501 174.159 176.519 0.234 0.000 1.065 500 W CA -2.616 54.795 57.345 0.110 0.000 1.364 500 W CB 0.566 30.027 29.460 0.002 0.000 1.233 500 W HN 0.379 nan 8.180 nan 0.000 0.409 501 P HA 0.276 nan 4.420 nan 0.000 0.282 501 P C -2.593 174.893 177.300 0.309 0.000 1.249 501 P CA -1.576 61.738 63.100 0.356 0.000 0.806 501 P CB 1.271 33.097 31.700 0.210 0.000 0.984 502 P HA 0.057 nan 4.420 nan 0.000 0.270 502 P C -0.744 176.533 177.300 -0.037 0.000 1.223 502 P CA 0.290 63.156 63.100 -0.390 0.000 0.785 502 P CB 0.098 31.567 31.700 -0.385 0.000 0.923 503 Y N 1.691 121.915 120.300 -0.128 0.000 2.313 503 Y HA 0.479 5.037 4.550 0.014 0.000 0.332 503 Y C 0.019 175.909 175.900 -0.016 0.000 1.071 503 Y CA 0.118 58.225 58.100 0.011 0.000 1.169 503 Y CB 0.620 39.116 38.460 0.060 0.000 1.192 503 Y HN 0.378 nan 8.280 nan 0.000 0.487 504 T N 0.157 114.389 114.554 -0.537 0.000 2.906 504 T HA 0.236 4.592 4.350 0.010 0.000 0.295 504 T C 0.844 175.251 174.700 -0.489 0.000 1.075 504 T CA -0.190 61.702 62.100 -0.346 0.000 1.005 504 T CB 1.252 70.015 68.868 -0.174 0.000 1.136 504 T HN 0.683 nan 8.240 nan 0.000 0.498 505 T N -0.557 113.874 114.554 -0.205 0.000 2.833 505 T HA -0.013 4.343 4.350 0.010 0.000 0.269 505 T C 2.208 176.840 174.700 -0.113 0.000 1.054 505 T CA 1.041 63.070 62.100 -0.118 0.000 1.135 505 T CB -0.809 68.053 68.868 -0.010 0.000 0.869 505 T HN 0.875 nan 8.240 nan 0.000 0.466 506 A N 2.053 124.810 122.820 -0.104 0.000 1.832 506 A HA 0.450 4.776 4.320 0.010 0.000 0.214 506 A C 2.738 180.276 177.584 -0.077 0.000 1.200 506 A CA 1.747 53.744 52.037 -0.067 0.000 0.610 506 A CB -1.333 17.638 19.000 -0.048 0.000 0.842 506 A HN 0.762 nan 8.150 nan 0.000 0.444 507 A N -2.152 120.602 122.820 -0.111 0.000 2.147 507 A HA 0.251 4.577 4.320 0.010 0.000 0.211 507 A C 0.913 178.429 177.584 -0.112 0.000 1.160 507 A CA 0.836 52.823 52.037 -0.084 0.000 0.781 507 A CB -0.333 18.633 19.000 -0.056 0.000 0.842 507 A HN 0.591 nan 8.150 nan 0.000 0.475 508 Q N -0.134 119.479 119.800 -0.310 0.000 2.435 508 Q HA -0.222 4.124 4.340 0.010 0.000 0.312 508 Q C -0.720 175.312 176.000 0.053 0.000 1.333 508 Q CA 0.677 56.243 55.803 -0.395 0.000 0.883 508 Q CB -1.647 27.073 28.738 -0.030 0.000 1.170 508 Q HN 0.827 nan 8.270 nan 0.000 0.443 509 Q N 0.418 120.243 119.800 0.041 0.000 2.259 509 Q HA 0.564 4.910 4.340 0.010 0.000 0.249 509 Q C -0.484 175.803 176.000 0.478 0.000 0.914 509 Q CA -0.285 55.644 55.803 0.211 0.000 0.904 509 Q CB 0.821 29.622 28.738 0.105 0.000 1.213 509 Q HN 0.358 nan 8.270 nan 0.000 0.428 510 Y N -1.851 118.589 120.300 0.233 0.000 2.638 510 Y HA 0.698 5.259 4.550 0.019 0.000 0.335 510 Y C -1.142 174.774 175.900 0.026 0.000 1.155 510 Y CA -1.510 56.716 58.100 0.210 0.000 1.046 510 Y CB 0.472 39.045 38.460 0.189 0.000 1.303 510 Y HN 0.373 nan 8.280 nan 0.000 0.460 511 V N -0.336 119.493 119.914 -0.142 0.000 2.881 511 V HA 0.876 5.002 4.120 0.010 0.000 0.316 511 V C -0.206 175.802 176.094 -0.143 0.000 1.070 511 V CA -0.543 61.538 62.300 -0.366 0.000 0.976 511 V CB 1.364 32.730 31.823 -0.762 0.000 1.038 511 V HN 1.206 nan 8.190 nan 0.000 0.446 512 S N 3.112 118.731 115.700 -0.135 0.000 2.457 512 S HA 0.712 5.188 4.470 0.010 0.000 0.289 512 S C -0.554 174.024 174.600 -0.036 0.000 1.163 512 S CA -0.676 57.521 58.200 -0.005 0.000 1.078 512 S CB 0.656 63.846 63.200 -0.018 0.000 0.987 512 S HN 0.755 nan 8.310 nan 0.000 0.482 513 L N 4.258 125.504 121.223 0.038 0.000 2.262 513 L HA 0.530 4.876 4.340 0.010 0.000 0.288 513 L C -0.256 176.549 176.870 -0.108 0.000 1.035 513 L CA -0.402 54.484 54.840 0.077 0.000 0.820 513 L CB 0.139 42.328 42.059 0.216 0.000 1.204 513 L HN 0.949 nan 8.230 nan 0.000 0.424 514 N N 2.061 120.637 118.700 -0.206 0.000 3.364 514 N HA 0.305 5.051 4.740 0.010 0.000 0.294 514 N C 0.208 175.197 175.510 -0.868 0.000 1.562 514 N CA -0.974 51.669 53.050 -0.679 0.000 0.862 514 N CB 0.586 38.845 38.487 -0.379 0.000 1.691 514 N HN 0.199 nan 8.380 nan 0.000 0.572 515 L N -1.614 119.091 121.223 -0.862 0.000 2.265 515 L HA 0.048 4.394 4.340 0.010 0.000 0.215 515 L C 0.377 177.086 176.870 -0.268 0.000 1.117 515 L CA 1.047 55.517 54.840 -0.616 0.000 0.782 515 L CB -0.557 41.218 42.059 -0.474 0.000 0.914 515 L HN 0.411 nan 8.230 nan 0.000 0.441 516 K N -0.045 120.233 120.400 -0.204 0.000 2.168 516 K HA 0.249 4.575 4.320 0.010 0.000 0.258 516 K C -2.120 174.453 176.600 -0.046 0.000 1.010 516 K CA -1.792 54.436 56.287 -0.099 0.000 0.929 516 K CB -0.001 32.449 32.500 -0.083 0.000 0.998 516 K HN -0.244 nan 8.250 nan 0.000 0.479 517 P HA 0.041 nan 4.420 nan 0.000 0.271 517 P C -0.320 176.997 177.300 0.029 0.000 1.233 517 P CA -0.272 62.849 63.100 0.036 0.000 0.789 517 P CB 0.422 32.142 31.700 0.034 0.000 0.951 518 L N 1.215 122.477 121.223 0.064 0.000 2.573 518 L HA -0.057 4.289 4.340 0.010 0.000 0.290 518 L C 1.002 177.851 176.870 -0.035 0.000 1.247 518 L CA 1.036 55.875 54.840 -0.000 0.000 0.876 518 L CB -0.181 41.882 42.059 0.007 0.000 1.123 518 L HN 0.515 nan 8.230 nan 0.000 0.505 519 E N 2.382 122.529 120.200 -0.088 0.000 2.246 519 E HA 0.406 4.762 4.350 0.010 0.000 0.266 519 E C -1.514 174.994 176.600 -0.153 0.000 0.880 519 E CA -0.726 55.620 56.400 -0.090 0.000 0.762 519 E CB 2.101 31.755 29.700 -0.078 0.000 1.180 519 E HN 0.283 nan 8.360 nan 0.000 0.416 520 V N 4.688 124.524 119.914 -0.130 0.000 2.546 520 V HA 0.475 4.601 4.120 0.010 0.000 0.284 520 V C 0.300 176.252 176.094 -0.237 0.000 1.050 520 V CA -0.217 61.978 62.300 -0.174 0.000 0.981 520 V CB 1.196 32.976 31.823 -0.073 0.000 0.990 520 V HN 0.692 nan 8.190 nan 0.000 0.474 521 R N 3.598 123.829 120.500 -0.449 0.000 2.867 521 R HA 0.718 5.063 4.340 0.010 0.000 0.268 521 R C -0.974 175.119 176.300 -0.345 0.000 1.014 521 R CA -1.055 54.761 56.100 -0.473 0.000 0.946 521 R CB 2.577 32.431 30.300 -0.742 0.000 1.208 521 R HN 0.592 nan 8.270 nan 0.000 0.477 522 R N -0.027 120.447 120.500 -0.043 0.000 2.599 522 R HA 0.493 4.839 4.340 0.010 0.000 0.295 522 R C -0.659 175.829 176.300 0.314 0.000 0.963 522 R CA -0.607 55.579 56.100 0.143 0.000 0.883 522 R CB 2.166 32.511 30.300 0.075 0.000 1.171 522 R HN 0.890 nan 8.270 nan 0.000 0.450 523 G N 2.118 111.139 108.800 0.369 0.000 3.445 523 G HA2 -0.223 3.743 3.960 0.010 0.000 0.634 523 G HA3 -0.223 3.743 3.960 0.010 0.000 0.634 523 G C -1.012 174.075 174.900 0.311 0.000 0.909 523 G CA -0.819 44.464 45.100 0.305 0.000 0.740 523 G HN 0.378 nan 8.290 nan 0.000 0.441 524 L N 4.284 125.592 121.223 0.141 0.000 2.302 524 L HA 0.553 4.899 4.340 0.010 0.000 0.285 524 L C 1.544 178.422 176.870 0.014 0.000 1.090 524 L CA -0.458 54.301 54.840 -0.134 0.000 0.866 524 L CB -0.117 41.778 42.059 -0.274 0.000 1.244 524 L HN 0.703 nan 8.230 nan 0.000 0.435 525 R N 2.911 123.454 120.500 0.072 0.000 3.405 525 R HA -0.285 4.061 4.340 0.010 0.000 0.258 525 R C 1.359 177.752 176.300 0.154 0.000 1.030 525 R CA 0.733 56.911 56.100 0.130 0.000 0.691 525 R CB -2.228 28.155 30.300 0.139 0.000 1.093 525 R HN 0.800 nan 8.270 nan 0.000 0.448 526 A N 0.611 123.520 122.820 0.149 0.000 1.884 526 A HA -0.295 4.031 4.320 0.010 0.000 0.219 526 A C 2.082 179.761 177.584 0.158 0.000 1.197 526 A CA 1.616 53.743 52.037 0.150 0.000 0.637 526 A CB -0.175 18.909 19.000 0.140 0.000 0.827 526 A HN 0.395 nan 8.150 nan 0.000 0.450 527 Q N -0.816 119.077 119.800 0.154 0.000 1.993 527 Q HA -0.126 4.219 4.340 0.010 0.000 0.202 527 Q C 2.340 178.472 176.000 0.220 0.000 0.984 527 Q CA 2.205 58.106 55.803 0.164 0.000 0.837 527 Q CB -1.391 27.430 28.738 0.139 0.000 0.902 527 Q HN 0.670 nan 8.270 nan 0.000 0.423 528 T N 0.615 115.323 114.554 0.256 0.000 2.759 528 T HA -0.151 4.204 4.350 0.010 0.000 0.269 528 T C 1.988 176.923 174.700 0.391 0.000 1.042 528 T CA 1.335 63.622 62.100 0.312 0.000 1.140 528 T CB -0.333 68.756 68.868 0.368 0.000 0.864 528 T HN 0.326 nan 8.240 nan 0.000 0.455 529 c N 1.357 120.163 118.600 0.343 0.000 2.448 529 c HA 0.280 4.856 4.570 0.010 0.000 0.280 529 c C 3.073 177.330 174.090 0.278 0.000 1.398 529 c CA -0.077 56.464 56.329 0.353 0.000 1.774 529 c CB -1.412 41.233 42.510 0.224 0.000 1.888 529 c HN 0.642 nan 8.230 nan 0.000 0.519 530 A N 0.173 123.128 122.820 0.225 0.000 1.930 530 A HA -0.147 4.179 4.320 0.010 0.000 0.217 530 A C 1.846 179.538 177.584 0.180 0.000 1.175 530 A CA 1.387 53.530 52.037 0.177 0.000 0.627 530 A CB -0.741 18.352 19.000 0.155 0.000 0.815 530 A HN 0.537 nan 8.150 nan 0.000 0.443 531 F N -0.660 119.296 119.950 0.009 0.000 2.069 531 F HA -0.188 4.344 4.527 0.008 0.000 0.298 531 F C 1.953 177.716 175.800 -0.062 0.000 1.113 531 F CA 1.791 59.720 58.000 -0.118 0.000 1.214 531 F CB -0.588 38.084 39.000 -0.547 0.000 0.978 531 F HN 0.376 nan 8.300 nan 0.000 0.474 532 W N 0.710 121.967 121.300 -0.071 0.000 2.381 532 W HA -0.143 4.521 4.660 0.007 0.000 0.301 532 W C 2.204 178.655 176.519 -0.112 0.000 1.205 532 W CA 1.110 58.374 57.345 -0.135 0.000 1.285 532 W CB -0.563 28.951 29.460 0.090 0.000 1.133 532 W HN -0.023 nan 8.180 nan 0.000 0.521 533 N N -0.411 118.408 118.700 0.199 0.000 2.415 533 N HA 0.034 4.780 4.740 0.010 0.000 0.176 533 N C 1.435 176.971 175.510 0.044 0.000 1.042 533 N CA 0.883 53.996 53.050 0.104 0.000 0.902 533 N CB -0.144 38.406 38.487 0.105 0.000 0.986 533 N HN 0.282 nan 8.380 nan 0.000 0.447 534 R N -1.345 119.181 120.500 0.043 0.000 2.243 534 R HA 0.225 4.571 4.340 0.010 0.000 0.193 534 R C 1.435 177.747 176.300 0.020 0.000 0.933 534 R CA -0.079 56.045 56.100 0.040 0.000 1.105 534 R CB -0.206 30.144 30.300 0.083 0.000 1.169 534 R HN 0.021 nan 8.270 nan 0.000 0.599 535 F N 1.931 121.797 119.950 -0.141 0.000 2.094 535 F HA 0.071 4.603 4.527 0.010 0.000 0.291 535 F C 1.905 177.545 175.800 -0.266 0.000 1.109 535 F CA 1.128 59.021 58.000 -0.179 0.000 1.221 535 F CB -0.350 38.553 39.000 -0.160 0.000 1.014 535 F HN -0.162 nan 8.300 nan 0.000 0.473 536 L N 0.481 121.323 121.223 -0.634 0.000 2.064 536 L HA -0.243 4.103 4.340 0.010 0.000 0.216 536 L C -0.422 176.185 176.870 -0.439 0.000 1.077 536 L CA 2.049 56.501 54.840 -0.647 0.000 0.766 536 L CB -2.149 39.590 42.059 -0.534 0.000 0.890 536 L HN 0.193 nan 8.230 nan 0.000 0.435 537 P HA -0.182 nan 4.420 nan 0.000 0.213 537 P C 1.395 178.553 177.300 -0.237 0.000 1.170 537 P CA 1.323 64.310 63.100 -0.189 0.000 0.898 537 P CB -0.052 31.580 31.700 -0.113 0.000 0.787 538 K N -0.904 119.332 120.400 -0.273 0.000 2.160 538 K HA -0.178 4.148 4.320 0.010 0.000 0.206 538 K C 1.954 178.354 176.600 -0.334 0.000 1.047 538 K CA 1.058 57.194 56.287 -0.252 0.000 0.930 538 K CB -0.940 31.442 32.500 -0.197 0.000 0.720 538 K HN 0.086 nan 8.250 nan 0.000 0.450 539 L N 1.258 122.142 121.223 -0.564 0.000 2.046 539 L HA -0.141 4.204 4.340 0.010 0.000 0.208 539 L C 2.054 178.776 176.870 -0.247 0.000 1.077 539 L CA 1.311 55.864 54.840 -0.478 0.000 0.747 539 L CB -0.568 41.127 42.059 -0.606 0.000 0.896 539 L HN 0.057 nan 8.230 nan 0.000 0.432 540 L N -0.527 120.562 121.223 -0.224 0.000 2.079 540 L HA -0.110 4.236 4.340 0.010 0.000 0.210 540 L C 1.668 178.478 176.870 -0.100 0.000 1.081 540 L CA 1.393 56.152 54.840 -0.134 0.000 0.752 540 L CB -0.730 41.259 42.059 -0.116 0.000 0.896 540 L HN 0.233 nan 8.230 nan 0.000 0.433 541 S N 0.785 116.421 115.700 -0.106 0.000 3.864 541 S HA 0.609 5.085 4.470 0.010 0.000 0.202 541 S C 0.172 174.734 174.600 -0.063 0.000 1.402 541 S CA 0.347 58.503 58.200 -0.073 0.000 1.072 541 S CB -0.990 62.169 63.200 -0.068 0.000 1.383 541 S HN 0.630 nan 8.310 nan 0.000 0.458 542 A N 0.000 122.784 122.820 -0.059 0.000 2.254 542 A HA 0.000 4.326 4.320 0.010 0.000 0.244 542 A CA 0.000 52.011 52.037 -0.043 0.000 0.836 542 A CB 0.000 18.976 19.000 -0.040 0.000 0.831 542 A HN 0.000 nan 8.150 nan 0.000 0.486