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 1bxs_1_C DATA FIRST_RESID 7 DATA SEQUENCE DVPAPLTNLQ FKYTKIFINN EWHSSVSGKK FPVFNPATEE KLCEVEEGDK DATA SEQUENCE EDVDKAVKAA RQAFQIGSPW RTMDASERGR LLNKLADLIE RDRLLLATME DATA SEQUENCE AMNGGKLFSN AYLMDLGGCI KTLRYCAGWA DKIQGRTIPM DGNFFTYTRS DATA SEQUENCE EPVGVCGQII PWNFPLLMFL WKIGPALSCG NTVVVKPAEQ TPLTALHMGS DATA SEQUENCE LIKEAGFPPG VVNIVPGYGP TAGAAISSHM DVDKVAFTGS TEVGKLIKEA DATA SEQUENCE AGKSNLKRVS LELGGKSPCI VFADADLDNA VEFAHQGVFY HQGQCCIAAS DATA SEQUENCE RLFVEESIYD EFVRRSVERA KKYVLGNPLT PGVSQGPQID KEQYEKILDL DATA SEQUENCE IESGKKEGAK LECGGGPWGN KGYFIQPTVF SDVTDDMRIA KEEIFGPVQQ DATA SEQUENCE IMKFKSLDDV IKRANNTFYG LSAGIFTNDI DKAITVSSAL QSGTVWVNCY DATA SEQUENCE SVVSAQCPFG GFKMSGNGRE LGEYGFHEYT EVKTVTIKIS QKNS 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 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.303 176.300 0.005 0.000 2.045 7 D CA 0.000 54.011 54.000 0.019 0.000 0.868 7 D CB 0.000 40.815 40.800 0.025 0.000 0.688 8 V N 2.444 122.339 119.914 -0.032 0.000 2.435 8 V HA 0.498 4.619 4.120 0.003 0.000 0.290 8 V C -1.396 174.607 176.094 -0.152 0.000 1.030 8 V CA -1.109 61.096 62.300 -0.159 0.000 0.881 8 V CB 1.683 33.426 31.823 -0.134 0.000 0.983 8 V HN 0.266 nan 8.190 nan 0.000 0.445 9 P HA 0.279 nan 4.420 nan 0.000 0.271 9 P C -0.506 176.783 177.300 -0.018 0.000 1.244 9 P CA -0.305 62.719 63.100 -0.128 0.000 0.793 9 P CB 0.759 32.366 31.700 -0.155 0.000 0.984 10 A N 2.106 124.892 122.820 -0.057 0.000 2.401 10 A HA 0.435 4.756 4.320 0.003 0.000 0.259 10 A C -1.813 175.607 177.584 -0.274 0.000 1.103 10 A CA -1.218 50.740 52.037 -0.131 0.000 0.789 10 A CB -0.878 18.056 19.000 -0.110 0.000 1.035 10 A HN 0.467 nan 8.150 nan 0.000 0.491 11 P HA 0.245 nan 4.420 nan 0.000 0.274 11 P C -0.595 176.470 177.300 -0.392 0.000 1.231 11 P CA -0.126 62.418 63.100 -0.927 0.000 0.790 11 P CB 0.616 31.445 31.700 -1.452 0.000 0.951 12 L N 1.602 122.669 121.223 -0.260 0.000 2.436 12 L HA 0.180 4.522 4.340 0.003 0.000 0.265 12 L C 2.029 178.809 176.870 -0.150 0.000 1.168 12 L CA -0.055 54.692 54.840 -0.155 0.000 0.815 12 L CB 0.460 42.456 42.059 -0.104 0.000 1.109 12 L HN 0.530 nan 8.230 nan 0.000 0.462 13 T N -3.151 111.333 114.554 -0.118 0.000 3.056 13 T HA -0.012 4.340 4.350 0.003 0.000 0.241 13 T C 1.130 175.781 174.700 -0.083 0.000 1.006 13 T CA 0.133 62.176 62.100 -0.095 0.000 1.115 13 T CB -0.170 68.650 68.868 -0.080 0.000 0.939 13 T HN 0.550 nan 8.240 nan 0.000 0.462 14 N N 1.707 120.352 118.700 -0.091 0.000 2.322 14 N HA 0.220 4.961 4.740 0.003 0.000 0.216 14 N C -0.455 174.963 175.510 -0.153 0.000 1.144 14 N CA -0.495 52.498 53.050 -0.095 0.000 0.830 14 N CB -0.213 38.227 38.487 -0.079 0.000 1.034 14 N HN 0.386 nan 8.380 nan 0.000 0.484 15 L N 0.133 121.230 121.223 -0.209 0.000 2.584 15 L HA 0.088 4.430 4.340 0.003 0.000 0.272 15 L C -0.044 176.499 176.870 -0.544 0.000 1.195 15 L CA 0.234 54.859 54.840 -0.358 0.000 0.920 15 L CB 0.065 41.889 42.059 -0.392 0.000 1.173 15 L HN -0.042 nan 8.230 nan 0.000 0.489 16 Q N 3.595 123.140 119.800 -0.425 0.000 2.256 16 Q HA 0.446 4.788 4.340 0.003 0.000 0.254 16 Q C -0.782 174.929 176.000 -0.481 0.000 0.916 16 Q CA -0.147 55.447 55.803 -0.349 0.000 0.932 16 Q CB 1.214 29.842 28.738 -0.184 0.000 1.207 16 Q HN 0.615 nan 8.270 nan 0.000 0.426 17 F N 1.175 121.063 119.950 -0.104 0.000 2.384 17 F HA 0.246 4.775 4.527 0.002 0.000 0.338 17 F C 1.507 177.178 175.800 -0.215 0.000 1.103 17 F CA -0.169 57.753 58.000 -0.130 0.000 1.157 17 F CB 1.203 40.130 39.000 -0.121 0.000 1.167 17 F HN 0.497 nan 8.300 nan 0.000 0.529 18 K N 1.538 121.833 120.400 -0.175 0.000 2.362 18 K HA 0.158 4.479 4.320 0.003 0.000 0.203 18 K C -0.650 175.505 176.600 -0.742 0.000 1.198 18 K CA 0.162 56.131 56.287 -0.530 0.000 0.908 18 K CB 0.251 32.258 32.500 -0.822 0.000 1.236 18 K HN 0.509 nan 8.250 nan 0.000 0.487 19 Y N 1.629 121.787 120.300 -0.237 0.000 2.454 19 Y HA 0.178 4.730 4.550 0.003 0.000 0.345 19 Y C 0.457 176.173 175.900 -0.307 0.000 0.970 19 Y CA -0.307 57.480 58.100 -0.521 0.000 1.204 19 Y CB 1.478 39.602 38.460 -0.559 0.000 1.122 19 Y HN 0.107 nan 8.280 nan 0.000 0.514 20 T N -1.758 112.667 114.554 -0.214 0.000 3.192 20 T HA 0.354 4.706 4.350 0.003 0.000 0.295 20 T C 0.166 174.863 174.700 -0.005 0.000 0.947 20 T CA -0.522 61.512 62.100 -0.110 0.000 0.916 20 T CB 0.083 68.856 68.868 -0.158 0.000 1.169 20 T HN 0.311 nan 8.240 nan 0.000 0.540 21 K N 0.763 121.229 120.400 0.110 0.000 2.288 21 K HA 0.684 5.005 4.320 0.003 0.000 0.234 21 K C -0.499 176.455 176.600 0.590 0.000 1.037 21 K CA -1.118 55.378 56.287 0.348 0.000 0.914 21 K CB 1.484 34.240 32.500 0.426 0.000 1.197 21 K HN 0.117 nan 8.250 nan 0.000 0.471 22 I N 1.640 122.496 120.570 0.477 0.000 2.441 22 I HA 0.075 4.247 4.170 0.003 0.000 0.287 22 I C -0.361 175.970 176.117 0.357 0.000 1.049 22 I CA -0.198 61.321 61.300 0.365 0.000 1.381 22 I CB 0.234 38.360 38.000 0.209 0.000 1.409 22 I HN 0.328 nan 8.210 nan 0.000 0.523 23 F N 8.377 128.326 119.950 -0.002 0.000 2.350 23 F HA 0.557 5.085 4.527 0.003 0.000 0.365 23 F C -0.348 175.300 175.800 -0.253 0.000 1.122 23 F CA -0.434 57.353 58.000 -0.354 0.000 1.139 23 F CB 0.256 38.962 39.000 -0.490 0.000 1.220 23 F HN 0.181 nan 8.300 nan 0.000 0.499 24 I N 5.415 125.626 120.570 -0.597 0.000 2.512 24 I HA 0.208 4.379 4.170 0.003 0.000 0.287 24 I C -0.183 175.634 176.117 -0.499 0.000 1.069 24 I CA -0.965 60.012 61.300 -0.539 0.000 1.056 24 I CB 1.824 39.432 38.000 -0.654 0.000 1.229 24 I HN 0.613 nan 8.210 nan 0.000 0.429 25 N N 4.624 123.050 118.700 -0.456 0.000 2.740 25 N HA -0.217 4.525 4.740 0.003 0.000 0.248 25 N C -0.070 175.168 175.510 -0.452 0.000 1.062 25 N CA 0.315 53.164 53.050 -0.335 0.000 0.704 25 N CB -0.713 37.678 38.487 -0.161 0.000 0.968 25 N HN 0.745 nan 8.380 nan 0.000 0.547 26 N N -1.449 116.720 118.700 -0.885 0.000 2.713 26 N HA -0.186 4.556 4.740 0.003 0.000 0.251 26 N C -0.964 174.144 175.510 -0.670 0.000 1.117 26 N CA 1.592 54.126 53.050 -0.861 0.000 0.770 26 N CB -0.401 37.943 38.487 -0.239 0.000 1.137 26 N HN 0.604 nan 8.380 nan 0.000 0.566 27 E N -1.085 118.689 120.200 -0.711 0.000 2.299 27 E HA 0.398 4.749 4.350 0.003 0.000 0.265 27 E C -0.258 176.116 176.600 -0.377 0.000 0.911 27 E CA -0.504 55.672 56.400 -0.373 0.000 0.789 27 E CB 0.694 30.282 29.700 -0.186 0.000 1.246 27 E HN 0.119 nan 8.360 nan 0.000 0.427 28 W N 1.644 122.996 121.300 0.086 0.000 2.349 28 W HA 0.306 4.968 4.660 0.002 0.000 0.309 28 W C 0.640 177.201 176.519 0.070 0.000 1.083 28 W CA -0.367 57.094 57.345 0.195 0.000 1.224 28 W CB 0.767 30.343 29.460 0.195 0.000 1.256 28 W HN 0.221 nan 8.180 nan 0.000 0.461 29 H N 1.289 120.516 119.070 0.263 0.000 2.621 29 H HA 0.442 4.999 4.556 0.003 0.000 0.360 29 H C -0.310 175.121 175.328 0.173 0.000 1.163 29 H CA -0.992 55.153 56.048 0.163 0.000 1.194 29 H CB 2.116 31.928 29.762 0.083 0.000 1.649 29 H HN 0.200 nan 8.280 nan 0.000 0.532 30 S N 1.109 116.952 115.700 0.238 0.000 2.632 30 S HA 0.101 4.573 4.470 0.003 0.000 0.271 30 S C 0.196 174.899 174.600 0.170 0.000 1.260 30 S CA -0.870 57.432 58.200 0.170 0.000 1.010 30 S CB 0.999 64.266 63.200 0.112 0.000 0.965 30 S HN 0.704 nan 8.310 nan 0.000 0.534 31 S N 1.192 116.979 115.700 0.145 0.000 2.549 31 S HA 0.086 4.557 4.470 0.003 0.000 0.286 31 S C 1.331 175.997 174.600 0.111 0.000 1.314 31 S CA -0.830 57.451 58.200 0.134 0.000 1.062 31 S CB 0.402 63.685 63.200 0.138 0.000 0.865 31 S HN 0.418 nan 8.310 nan 0.000 0.498 32 V N 3.058 123.032 119.914 0.100 0.000 2.324 32 V HA -0.236 3.885 4.120 0.003 0.000 0.250 32 V C 2.917 179.056 176.094 0.074 0.000 1.060 32 V CA 2.439 64.789 62.300 0.083 0.000 1.042 32 V CB -1.609 30.256 31.823 0.070 0.000 0.650 32 V HN 1.106 nan 8.190 nan 0.000 0.450 33 S N -0.316 115.431 115.700 0.078 0.000 2.423 33 S HA 0.097 4.569 4.470 0.003 0.000 0.231 33 S C 1.834 176.478 174.600 0.072 0.000 1.014 33 S CA 1.371 59.614 58.200 0.072 0.000 0.965 33 S CB 0.215 63.462 63.200 0.079 0.000 0.785 33 S HN 1.222 nan 8.310 nan 0.000 0.495 34 G N 1.037 109.886 108.800 0.081 0.000 2.258 34 G HA2 -0.255 3.707 3.960 0.003 0.000 0.233 34 G HA3 -0.255 3.707 3.960 0.003 0.000 0.233 34 G C 0.049 174.996 174.900 0.079 0.000 1.006 34 G CA 0.091 45.234 45.100 0.072 0.000 0.620 34 G HN 0.622 nan 8.290 nan 0.000 0.511 35 K N 1.027 121.484 120.400 0.096 0.000 2.319 35 K HA 0.525 4.847 4.320 0.003 0.000 0.265 35 K C 0.319 177.007 176.600 0.145 0.000 1.000 35 K CA 0.411 56.768 56.287 0.117 0.000 0.943 35 K CB 0.556 33.135 32.500 0.133 0.000 0.950 35 K HN 0.330 nan 8.250 nan 0.000 0.485 36 K N 1.408 121.894 120.400 0.144 0.000 2.444 36 K HA 0.487 4.808 4.320 0.003 0.000 0.252 36 K C -1.090 175.642 176.600 0.220 0.000 0.993 36 K CA -0.933 55.429 56.287 0.124 0.000 0.847 36 K CB 1.468 33.967 32.500 -0.003 0.000 1.340 36 K HN 0.481 nan 8.250 nan 0.000 0.446 37 F N -0.693 119.274 119.950 0.029 0.000 2.578 37 F HA 0.572 5.101 4.527 0.002 0.000 0.311 37 F C -2.883 172.882 175.800 -0.058 0.000 1.094 37 F CA -2.877 55.153 58.000 0.050 0.000 0.923 37 F CB 1.367 40.431 39.000 0.107 0.000 1.230 37 F HN 0.232 nan 8.300 nan 0.000 0.450 38 P HA 0.222 nan 4.420 nan 0.000 0.275 38 P C -1.101 175.945 177.300 -0.423 0.000 1.227 38 P CA -0.215 62.677 63.100 -0.346 0.000 0.781 38 P CB 2.208 33.703 31.700 -0.342 0.000 0.906 39 V N 4.404 123.930 119.914 -0.645 0.000 2.407 39 V HA 0.349 4.470 4.120 0.003 0.000 0.291 39 V C 0.066 175.823 176.094 -0.562 0.000 1.018 39 V CA -0.311 61.733 62.300 -0.426 0.000 0.842 39 V CB 0.548 32.154 31.823 -0.362 0.000 0.996 39 V HN 0.389 nan 8.190 nan 0.000 0.426 40 F N 2.200 122.138 119.950 -0.021 0.000 2.518 40 F HA 0.517 5.046 4.527 0.003 0.000 0.338 40 F C 0.678 176.480 175.800 0.003 0.000 1.065 40 F CA -0.931 57.064 58.000 -0.008 0.000 1.012 40 F CB 0.858 39.876 39.000 0.030 0.000 1.297 40 F HN 0.366 nan 8.300 nan 0.000 0.489 41 N N 1.402 120.247 118.700 0.241 0.000 2.457 41 N HA 0.284 5.026 4.740 0.003 0.000 0.250 41 N C -2.252 173.343 175.510 0.142 0.000 0.982 41 N CA -2.196 50.945 53.050 0.152 0.000 0.941 41 N CB 1.584 40.147 38.487 0.126 0.000 1.120 41 N HN 0.110 nan 8.380 nan 0.000 0.505 42 P HA -0.125 nan 4.420 nan 0.000 0.216 42 P C 0.708 178.003 177.300 -0.010 0.000 1.150 42 P CA 1.456 64.611 63.100 0.091 0.000 0.843 42 P CB 0.351 32.066 31.700 0.026 0.000 0.787 43 A N -1.090 121.739 122.820 0.015 0.000 1.970 43 A HA -0.091 4.230 4.320 0.003 0.000 0.216 43 A C 2.095 179.752 177.584 0.122 0.000 1.170 43 A CA 2.140 54.227 52.037 0.084 0.000 0.645 43 A CB -1.452 17.667 19.000 0.198 0.000 0.816 43 A HN 0.341 nan 8.150 nan 0.000 0.447 44 T N -5.293 109.300 114.554 0.065 0.000 2.971 44 T HA 0.271 4.622 4.350 0.003 0.000 0.252 44 T C 0.531 175.222 174.700 -0.016 0.000 1.022 44 T CA 0.808 62.930 62.100 0.038 0.000 0.980 44 T CB 0.031 68.934 68.868 0.059 0.000 1.044 44 T HN 0.510 nan 8.240 nan 0.000 0.501 45 E N 0.993 121.184 120.200 -0.014 0.000 3.927 45 E HA -0.169 4.182 4.350 0.003 0.000 0.330 45 E C -0.120 176.538 176.600 0.098 0.000 0.751 45 E CA 0.935 57.311 56.400 -0.040 0.000 1.254 45 E CB -1.358 28.236 29.700 -0.176 0.000 1.643 45 E HN 0.955 nan 8.360 nan 0.000 0.430 46 E N 1.739 122.034 120.200 0.158 0.000 2.277 46 E HA 0.358 4.710 4.350 0.003 0.000 0.274 46 E C -0.131 176.644 176.600 0.292 0.000 1.022 46 E CA -0.774 55.747 56.400 0.201 0.000 0.853 46 E CB 1.356 31.120 29.700 0.107 0.000 1.086 46 E HN 0.045 nan 8.360 nan 0.000 0.397 47 K N 3.541 124.081 120.400 0.233 0.000 2.383 47 K HA 0.058 4.380 4.320 0.003 0.000 0.286 47 K C 0.588 177.106 176.600 -0.136 0.000 1.051 47 K CA -0.206 56.015 56.287 -0.110 0.000 0.974 47 K CB 0.520 32.891 32.500 -0.216 0.000 0.968 47 K HN 0.683 nan 8.250 nan 0.000 0.475 48 L N 3.629 124.704 121.223 -0.245 0.000 2.095 48 L HA -0.008 4.334 4.340 0.003 0.000 0.204 48 L C 0.832 177.451 176.870 -0.418 0.000 1.080 48 L CA 0.500 55.186 54.840 -0.258 0.000 0.759 48 L CB -0.182 41.637 42.059 -0.400 0.000 0.914 48 L HN 0.929 nan 8.230 nan 0.000 0.439 49 C N -3.691 115.303 119.300 -0.511 0.000 3.180 49 C HA 0.374 4.835 4.460 0.003 0.000 0.334 49 C C -1.375 173.346 174.990 -0.447 0.000 1.399 49 C CA -1.282 57.475 59.018 -0.434 0.000 1.185 49 C CB 1.120 28.536 27.740 -0.540 0.000 1.498 49 C HN 0.194 nan 8.230 nan 0.000 0.426 50 E N 0.222 120.202 120.200 -0.366 0.000 2.238 50 E HA 0.715 5.067 4.350 0.003 0.000 0.267 50 E C -1.253 175.094 176.600 -0.421 0.000 0.887 50 E CA -0.625 55.538 56.400 -0.395 0.000 0.769 50 E CB 2.464 32.011 29.700 -0.255 0.000 1.187 50 E HN 0.568 nan 8.360 nan 0.000 0.416 51 V N 2.173 121.697 119.914 -0.650 0.000 2.769 51 V HA 0.167 4.288 4.120 0.003 0.000 0.312 51 V C -0.082 175.767 176.094 -0.407 0.000 1.061 51 V CA -1.043 60.907 62.300 -0.582 0.000 0.931 51 V CB 1.964 33.317 31.823 -0.783 0.000 1.010 51 V HN 0.591 nan 8.190 nan 0.000 0.433 52 E N 2.422 122.571 120.200 -0.085 0.000 2.465 52 E HA 0.003 4.354 4.350 0.003 0.000 0.260 52 E C -0.013 176.758 176.600 0.286 0.000 0.980 52 E CA 0.239 56.697 56.400 0.095 0.000 0.927 52 E CB 0.593 30.381 29.700 0.146 0.000 0.934 52 E HN 0.642 nan 8.360 nan 0.000 0.459 53 E N 1.977 122.386 120.200 0.348 0.000 1.963 53 E HA 0.242 4.593 4.350 0.003 0.000 0.274 53 E C -0.038 176.704 176.600 0.237 0.000 1.061 53 E CA -0.425 56.231 56.400 0.427 0.000 0.847 53 E CB 0.361 30.302 29.700 0.402 0.000 1.083 53 E HN 0.527 nan 8.360 nan 0.000 0.402 54 G N 3.601 112.523 108.800 0.203 0.000 2.483 54 G HA2 0.080 4.042 3.960 0.003 0.000 0.248 54 G HA3 0.080 4.042 3.960 0.003 0.000 0.248 54 G C -0.329 174.635 174.900 0.106 0.000 1.248 54 G CA -0.207 44.975 45.100 0.138 0.000 0.838 54 G HN 0.575 nan 8.290 nan 0.000 0.566 55 D N 0.105 120.561 120.400 0.093 0.000 2.867 55 D HA 0.502 5.144 4.640 0.003 0.000 0.308 55 D C 1.717 178.060 176.300 0.071 0.000 1.202 55 D CA 0.060 54.109 54.000 0.081 0.000 1.035 55 D CB 0.888 41.736 40.800 0.081 0.000 1.427 55 D HN 0.366 nan 8.370 nan 0.000 0.570 56 K N 0.277 120.716 120.400 0.065 0.000 2.059 56 K HA -0.208 4.113 4.320 0.003 0.000 0.212 56 K C 1.836 178.478 176.600 0.070 0.000 1.050 56 K CA 2.450 58.778 56.287 0.068 0.000 0.927 56 K CB -1.050 31.482 32.500 0.052 0.000 0.714 56 K HN 0.563 nan 8.250 nan 0.000 0.447 57 E N 0.209 120.444 120.200 0.059 0.000 2.204 57 E HA -0.117 4.234 4.350 0.003 0.000 0.194 57 E C 1.679 178.307 176.600 0.046 0.000 0.989 57 E CA 0.975 57.407 56.400 0.054 0.000 0.824 57 E CB 0.058 29.788 29.700 0.049 0.000 0.756 57 E HN 0.626 nan 8.360 nan 0.000 0.477 58 D N 0.185 120.613 120.400 0.047 0.000 2.194 58 D HA -0.084 4.558 4.640 0.003 0.000 0.204 58 D C 2.031 178.335 176.300 0.007 0.000 0.964 58 D CA 0.679 54.696 54.000 0.028 0.000 0.846 58 D CB 0.235 41.068 40.800 0.055 0.000 0.962 58 D HN 0.057 nan 8.370 nan 0.000 0.490 59 V N 1.987 121.919 119.914 0.030 0.000 2.453 59 V HA -0.178 3.943 4.120 0.003 0.000 0.247 59 V C 1.913 178.000 176.094 -0.012 0.000 1.048 59 V CA 1.512 63.820 62.300 0.012 0.000 1.049 59 V CB -0.326 31.529 31.823 0.053 0.000 0.672 59 V HN 0.026 nan 8.190 nan 0.000 0.457 60 D N 0.248 120.685 120.400 0.062 0.000 2.144 60 D HA -0.161 4.480 4.640 0.003 0.000 0.199 60 D C 2.213 178.520 176.300 0.012 0.000 0.984 60 D CA 1.218 55.281 54.000 0.105 0.000 0.834 60 D CB -0.150 40.736 40.800 0.144 0.000 0.955 60 D HN 0.435 nan 8.370 nan 0.000 0.465 61 K N 0.699 121.089 120.400 -0.017 0.000 2.057 61 K HA -0.014 4.308 4.320 0.003 0.000 0.206 61 K C 2.180 178.717 176.600 -0.105 0.000 1.050 61 K CA 1.098 57.350 56.287 -0.059 0.000 0.935 61 K CB -0.065 32.381 32.500 -0.090 0.000 0.715 61 K HN 0.012 nan 8.250 nan 0.000 0.439 62 A N 1.010 123.759 122.820 -0.118 0.000 1.902 62 A HA -0.121 4.200 4.320 0.003 0.000 0.217 62 A C 2.363 179.869 177.584 -0.131 0.000 1.181 62 A CA 1.408 53.365 52.037 -0.134 0.000 0.623 62 A CB -0.652 18.286 19.000 -0.104 0.000 0.818 62 A HN 0.071 nan 8.150 nan 0.000 0.443 63 V N 0.143 119.959 119.914 -0.163 0.000 2.343 63 V HA -0.264 3.857 4.120 0.003 0.000 0.247 63 V C 2.395 178.420 176.094 -0.116 0.000 1.051 63 V CA 2.323 64.496 62.300 -0.212 0.000 1.036 63 V CB -0.678 30.852 31.823 -0.487 0.000 0.654 63 V HN 0.550 nan 8.190 nan 0.000 0.451 64 K N 0.367 120.724 120.400 -0.071 0.000 2.148 64 K HA -0.073 4.249 4.320 0.003 0.000 0.204 64 K C 2.285 178.869 176.600 -0.027 0.000 1.050 64 K CA 1.365 57.639 56.287 -0.023 0.000 0.942 64 K CB -0.365 32.134 32.500 -0.003 0.000 0.724 64 K HN 0.478 nan 8.250 nan 0.000 0.446 65 A N 1.478 124.263 122.820 -0.058 0.000 1.898 65 A HA -0.054 4.268 4.320 0.003 0.000 0.216 65 A C 2.354 179.910 177.584 -0.047 0.000 1.181 65 A CA 1.665 53.663 52.037 -0.064 0.000 0.620 65 A CB -0.567 18.363 19.000 -0.116 0.000 0.819 65 A HN 0.308 nan 8.150 nan 0.000 0.442 66 A N -0.370 122.415 122.820 -0.058 0.000 1.969 66 A HA -0.068 4.254 4.320 0.003 0.000 0.218 66 A C 2.152 179.758 177.584 0.037 0.000 1.169 66 A CA 1.904 53.919 52.037 -0.036 0.000 0.635 66 A CB -0.365 18.590 19.000 -0.075 0.000 0.810 66 A HN 0.442 nan 8.150 nan 0.000 0.445 67 R N -0.180 120.339 120.500 0.032 0.000 2.073 67 R HA -0.106 4.235 4.340 0.003 0.000 0.229 67 R C 2.164 178.544 176.300 0.133 0.000 1.120 67 R CA 2.020 58.177 56.100 0.095 0.000 0.967 67 R CB -0.676 29.659 30.300 0.058 0.000 0.862 67 R HN 0.455 nan 8.270 nan 0.000 0.436 68 Q N -0.060 119.787 119.800 0.078 0.000 2.119 68 Q HA 0.078 4.420 4.340 0.003 0.000 0.201 68 Q C 1.718 177.773 176.000 0.092 0.000 0.972 68 Q CA 2.049 57.894 55.803 0.069 0.000 0.847 68 Q CB -0.413 28.345 28.738 0.033 0.000 0.903 68 Q HN 0.406 nan 8.270 nan 0.000 0.433 69 A N -1.120 121.760 122.820 0.100 0.000 2.119 69 A HA -0.043 4.279 4.320 0.003 0.000 0.217 69 A C 1.539 179.281 177.584 0.263 0.000 1.153 69 A CA 0.740 52.854 52.037 0.129 0.000 0.692 69 A CB -0.554 18.474 19.000 0.045 0.000 0.799 69 A HN 0.486 nan 8.150 nan 0.000 0.458 70 F N 0.307 120.324 119.950 0.112 0.000 2.727 70 F HA 0.214 4.742 4.527 0.002 0.000 0.302 70 F C 0.721 176.582 175.800 0.101 0.000 1.097 70 F CA -0.322 57.767 58.000 0.148 0.000 1.330 70 F CB 0.146 39.217 39.000 0.117 0.000 1.084 70 F HN 0.091 nan 8.300 nan 0.000 0.578 71 Q N 1.521 121.350 119.800 0.048 0.000 2.361 71 Q HA 0.032 4.374 4.340 0.003 0.000 0.276 71 Q C 0.366 176.298 176.000 -0.114 0.000 1.022 71 Q CA 0.010 55.797 55.803 -0.027 0.000 0.898 71 Q CB 0.682 29.434 28.738 0.023 0.000 1.246 71 Q HN 0.076 nan 8.270 nan 0.000 0.410 72 I N 1.382 121.879 120.570 -0.122 0.000 2.752 72 I HA -0.087 4.084 4.170 0.003 0.000 0.289 72 I C 1.514 177.591 176.117 -0.066 0.000 1.197 72 I CA 1.546 62.775 61.300 -0.119 0.000 1.432 72 I CB -0.455 37.496 38.000 -0.081 0.000 1.359 72 I HN 0.957 nan 8.210 nan 0.000 0.571 73 G N 4.557 113.319 108.800 -0.063 0.000 2.195 73 G HA2 -0.254 3.708 3.960 0.003 0.000 0.246 73 G HA3 -0.254 3.708 3.960 0.003 0.000 0.246 73 G C 0.400 175.294 174.900 -0.010 0.000 0.984 73 G CA 0.347 45.428 45.100 -0.031 0.000 0.633 73 G HN 0.856 nan 8.290 nan 0.000 0.525 74 S N 0.515 116.213 115.700 -0.003 0.000 2.600 74 S HA 0.578 5.049 4.470 0.003 0.000 0.265 74 S C -0.663 173.978 174.600 0.068 0.000 1.325 74 S CA -0.316 57.909 58.200 0.042 0.000 1.002 74 S CB 1.899 65.141 63.200 0.071 0.000 0.921 74 S HN 0.013 nan 8.310 nan 0.000 0.554 75 P HA -0.117 nan 4.420 nan 0.000 0.216 75 P C 1.209 178.635 177.300 0.209 0.000 1.153 75 P CA 1.233 64.408 63.100 0.126 0.000 0.858 75 P CB -0.088 31.688 31.700 0.127 0.000 0.789 76 W N 0.269 121.580 121.300 0.018 0.000 2.402 76 W HA -0.104 4.558 4.660 0.003 0.000 0.286 76 W C 1.618 178.146 176.519 0.015 0.000 1.221 76 W CA 0.843 58.212 57.345 0.041 0.000 1.257 76 W CB 0.008 29.523 29.460 0.092 0.000 1.120 76 W HN -0.086 nan 8.180 nan 0.000 0.551 77 R N -0.734 119.772 120.500 0.010 0.000 2.223 77 R HA -0.028 4.314 4.340 0.003 0.000 0.198 77 R C 2.125 178.337 176.300 -0.146 0.000 0.984 77 R CA 1.593 57.592 56.100 -0.168 0.000 1.018 77 R CB -0.358 29.809 30.300 -0.222 0.000 0.945 77 R HN 0.148 nan 8.270 nan 0.000 0.479 78 T N -1.927 112.579 114.554 -0.081 0.000 3.057 78 T HA 0.112 4.464 4.350 0.003 0.000 0.254 78 T C 1.064 175.720 174.700 -0.073 0.000 1.094 78 T CA -0.200 61.859 62.100 -0.068 0.000 1.088 78 T CB 0.138 68.985 68.868 -0.034 0.000 0.934 78 T HN 0.016 nan 8.240 nan 0.000 0.497 79 M N 2.684 122.235 119.600 -0.082 0.000 2.246 79 M HA 0.077 4.559 4.480 0.003 0.000 0.327 79 M C -0.861 175.366 176.300 -0.122 0.000 1.090 79 M CA 0.220 55.468 55.300 -0.086 0.000 1.087 79 M CB 0.324 32.873 32.600 -0.085 0.000 1.587 79 M HN 0.032 nan 8.290 nan 0.000 0.444 80 D N 3.405 123.752 120.400 -0.088 0.000 2.414 80 D HA 0.153 4.795 4.640 0.003 0.000 0.242 80 D C 0.738 176.972 176.300 -0.110 0.000 1.129 80 D CA 0.455 54.405 54.000 -0.084 0.000 0.885 80 D CB 1.237 42.004 40.800 -0.056 0.000 1.198 80 D HN 0.752 nan 8.370 nan 0.000 0.437 81 A N 2.158 124.918 122.820 -0.100 0.000 1.940 81 A HA -0.204 4.118 4.320 0.003 0.000 0.219 81 A C 2.084 179.632 177.584 -0.060 0.000 1.176 81 A CA 2.067 54.047 52.037 -0.095 0.000 0.631 81 A CB -0.524 18.443 19.000 -0.056 0.000 0.814 81 A HN 0.582 nan 8.150 nan 0.000 0.446 82 S N -0.717 114.955 115.700 -0.047 0.000 2.402 82 S HA -0.134 4.337 4.470 0.003 0.000 0.229 82 S C 1.712 176.293 174.600 -0.032 0.000 1.021 82 S CA 1.224 59.404 58.200 -0.033 0.000 0.974 82 S CB -0.276 62.905 63.200 -0.032 0.000 0.800 82 S HN 0.519 nan 8.310 nan 0.000 0.484 83 E N 1.466 121.639 120.200 -0.045 0.000 2.208 83 E HA 0.030 4.382 4.350 0.003 0.000 0.193 83 E C 2.195 178.771 176.600 -0.039 0.000 0.988 83 E CA 0.434 56.809 56.400 -0.042 0.000 0.828 83 E CB -0.189 29.484 29.700 -0.045 0.000 0.763 83 E HN 0.566 nan 8.360 nan 0.000 0.478 84 R N -0.536 119.931 120.500 -0.055 0.000 2.092 84 R HA -0.078 4.263 4.340 0.003 0.000 0.231 84 R C 2.300 178.652 176.300 0.086 0.000 1.119 84 R CA 1.289 57.384 56.100 -0.010 0.000 0.970 84 R CB -0.319 29.887 30.300 -0.157 0.000 0.864 84 R HN 0.150 nan 8.270 nan 0.000 0.440 85 G N -0.335 108.494 108.800 0.049 0.000 2.394 85 G HA2 -0.291 3.671 3.960 0.003 0.000 0.215 85 G HA3 -0.291 3.671 3.960 0.003 0.000 0.215 85 G C 1.770 176.705 174.900 0.060 0.000 1.165 85 G CA 0.908 46.051 45.100 0.071 0.000 0.784 85 G HN 0.444 nan 8.290 nan 0.000 0.535 86 R N 0.639 121.151 120.500 0.019 0.000 2.105 86 R HA 0.153 4.494 4.340 0.003 0.000 0.239 86 R C 2.523 178.827 176.300 0.006 0.000 1.135 86 R CA 1.633 57.738 56.100 0.008 0.000 0.967 86 R CB -1.205 29.087 30.300 -0.013 0.000 0.861 86 R HN 0.452 nan 8.270 nan 0.000 0.442 87 L N 0.076 121.273 121.223 -0.044 0.000 2.056 87 L HA -0.082 4.260 4.340 0.003 0.000 0.207 87 L C 2.778 179.723 176.870 0.126 0.000 1.078 87 L CA 1.215 55.950 54.840 -0.175 0.000 0.749 87 L CB -0.413 41.222 42.059 -0.706 0.000 0.901 87 L HN 0.294 nan 8.230 nan 0.000 0.433 88 L N -0.458 120.937 121.223 0.287 0.000 2.046 88 L HA -0.215 4.126 4.340 0.003 0.000 0.208 88 L C 2.357 179.366 176.870 0.233 0.000 1.077 88 L CA 1.037 56.106 54.840 0.382 0.000 0.747 88 L CB -0.612 41.634 42.059 0.312 0.000 0.896 88 L HN 0.356 nan 8.230 nan 0.000 0.432 89 N N 0.107 118.897 118.700 0.150 0.000 2.223 89 N HA -0.188 4.554 4.740 0.003 0.000 0.185 89 N C 1.824 177.397 175.510 0.106 0.000 1.016 89 N CA 1.037 54.151 53.050 0.107 0.000 0.863 89 N CB -0.046 38.480 38.487 0.065 0.000 0.983 89 N HN 0.135 nan 8.380 nan 0.000 0.429 90 K N 1.112 121.577 120.400 0.109 0.000 2.097 90 K HA 0.002 4.324 4.320 0.003 0.000 0.205 90 K C 1.808 178.493 176.600 0.142 0.000 1.050 90 K CA 0.439 56.786 56.287 0.100 0.000 0.938 90 K CB -0.553 31.988 32.500 0.069 0.000 0.718 90 K HN 0.041 nan 8.250 nan 0.000 0.442 91 L N 0.292 121.644 121.223 0.215 0.000 2.093 91 L HA 0.024 4.365 4.340 0.003 0.000 0.208 91 L C 1.989 178.947 176.870 0.147 0.000 1.085 91 L CA 2.075 57.045 54.840 0.217 0.000 0.755 91 L CB -0.950 41.279 42.059 0.284 0.000 0.904 91 L HN 0.196 nan 8.230 nan 0.000 0.435 92 A N -0.877 122.026 122.820 0.139 0.000 1.933 92 A HA -0.196 4.126 4.320 0.003 0.000 0.218 92 A C 1.938 179.574 177.584 0.086 0.000 1.175 92 A CA 1.737 53.839 52.037 0.108 0.000 0.628 92 A CB -0.734 18.328 19.000 0.103 0.000 0.814 92 A HN 0.523 nan 8.150 nan 0.000 0.444 93 D N 0.244 120.695 120.400 0.086 0.000 2.144 93 D HA -0.110 4.531 4.640 0.003 0.000 0.199 93 D C 1.866 178.211 176.300 0.074 0.000 0.984 93 D CA 1.023 55.066 54.000 0.071 0.000 0.834 93 D CB -0.316 40.524 40.800 0.066 0.000 0.955 93 D HN 0.489 nan 8.370 nan 0.000 0.465 94 L N 0.255 121.531 121.223 0.088 0.000 2.217 94 L HA -0.003 4.338 4.340 0.003 0.000 0.211 94 L C 2.410 179.336 176.870 0.094 0.000 1.107 94 L CA 0.440 55.335 54.840 0.091 0.000 0.783 94 L CB -0.169 41.947 42.059 0.096 0.000 0.919 94 L HN -0.005 nan 8.230 nan 0.000 0.442 95 I N -0.233 120.389 120.570 0.087 0.000 2.353 95 I HA -0.225 3.947 4.170 0.003 0.000 0.248 95 I C 2.454 178.600 176.117 0.047 0.000 1.119 95 I CA 1.054 62.399 61.300 0.075 0.000 1.417 95 I CB -0.129 37.914 38.000 0.072 0.000 1.078 95 I HN 0.290 nan 8.210 nan 0.000 0.421 96 E N 0.949 121.175 120.200 0.044 0.000 2.077 96 E HA -0.258 4.093 4.350 0.003 0.000 0.193 96 E C 2.365 178.991 176.600 0.043 0.000 0.989 96 E CA 1.044 57.460 56.400 0.027 0.000 0.800 96 E CB 0.043 29.764 29.700 0.035 0.000 0.746 96 E HN 0.259 nan 8.360 nan 0.000 0.452 97 R N 0.484 121.021 120.500 0.062 0.000 2.066 97 R HA -0.124 4.218 4.340 0.003 0.000 0.232 97 R C 0.518 176.868 176.300 0.082 0.000 1.131 97 R CA 1.718 57.862 56.100 0.073 0.000 0.955 97 R CB 0.096 30.442 30.300 0.077 0.000 0.851 97 R HN 0.058 nan 8.270 nan 0.000 0.432 98 D N -0.101 120.351 120.400 0.087 0.000 2.370 98 D HA 0.011 4.653 4.640 0.003 0.000 0.230 98 D C 1.183 177.513 176.300 0.050 0.000 1.143 98 D CA 0.046 54.094 54.000 0.081 0.000 0.834 98 D CB 0.130 41.009 40.800 0.132 0.000 0.944 98 D HN 0.223 nan 8.370 nan 0.000 0.504 99 R N 0.387 120.919 120.500 0.054 0.000 2.091 99 R HA -0.168 4.173 4.340 0.003 0.000 0.238 99 R C 1.862 178.239 176.300 0.128 0.000 1.136 99 R CA 1.020 57.129 56.100 0.016 0.000 0.959 99 R CB -0.201 30.050 30.300 -0.082 0.000 0.856 99 R HN 0.157 nan 8.270 nan 0.000 0.437 100 L N 0.734 122.109 121.223 0.253 0.000 2.017 100 L HA -0.129 4.213 4.340 0.003 0.000 0.208 100 L C 2.089 179.096 176.870 0.229 0.000 1.073 100 L CA 1.530 56.581 54.840 0.351 0.000 0.745 100 L CB -0.718 41.498 42.059 0.261 0.000 0.894 100 L HN 0.314 nan 8.230 nan 0.000 0.432 101 L N -0.754 120.525 121.223 0.093 0.000 1.994 101 L HA -0.195 4.147 4.340 0.003 0.000 0.208 101 L C 2.326 179.182 176.870 -0.024 0.000 1.071 101 L CA 1.904 56.741 54.840 -0.006 0.000 0.745 101 L CB -0.777 41.223 42.059 -0.098 0.000 0.892 101 L HN 0.298 nan 8.230 nan 0.000 0.431 102 L N -0.572 120.620 121.223 -0.052 0.000 2.046 102 L HA -0.191 4.151 4.340 0.003 0.000 0.208 102 L C 2.661 179.563 176.870 0.054 0.000 1.077 102 L CA 1.215 56.028 54.840 -0.046 0.000 0.747 102 L CB -0.913 41.120 42.059 -0.045 0.000 0.896 102 L HN 0.418 nan 8.230 nan 0.000 0.432 103 A N -0.534 122.358 122.820 0.119 0.000 1.898 103 A HA -0.178 4.144 4.320 0.003 0.000 0.216 103 A C 2.359 180.151 177.584 0.348 0.000 1.181 103 A CA 2.225 54.359 52.037 0.161 0.000 0.620 103 A CB -0.827 18.251 19.000 0.129 0.000 0.819 103 A HN 0.376 nan 8.150 nan 0.000 0.442 104 T N -0.295 114.529 114.554 0.450 0.000 2.701 104 T HA -0.172 4.179 4.350 0.003 0.000 0.263 104 T C 1.976 176.794 174.700 0.196 0.000 1.040 104 T CA 1.649 63.956 62.100 0.345 0.000 1.147 104 T CB -0.316 68.623 68.868 0.118 0.000 0.865 104 T HN 0.490 nan 8.240 nan 0.000 0.426 105 M N 0.835 120.513 119.600 0.130 0.000 2.108 105 M HA -0.173 4.309 4.480 0.003 0.000 0.261 105 M C 2.287 178.676 176.300 0.147 0.000 1.066 105 M CA 1.820 57.200 55.300 0.134 0.000 1.107 105 M CB -0.079 32.576 32.600 0.092 0.000 1.356 105 M HN 0.118 nan 8.290 nan 0.000 0.406 106 E N 0.254 120.529 120.200 0.126 0.000 2.047 106 E HA -0.116 4.235 4.350 0.003 0.000 0.191 106 E C 1.776 178.449 176.600 0.122 0.000 0.987 106 E CA 1.877 58.339 56.400 0.105 0.000 0.799 106 E CB -0.249 29.494 29.700 0.073 0.000 0.752 106 E HN 0.566 nan 8.360 nan 0.000 0.449 107 A N 0.221 123.142 122.820 0.168 0.000 1.902 107 A HA -0.165 4.157 4.320 0.003 0.000 0.217 107 A C 2.266 179.944 177.584 0.156 0.000 1.181 107 A CA 1.784 53.931 52.037 0.183 0.000 0.623 107 A CB -0.525 18.655 19.000 0.300 0.000 0.818 107 A HN 0.331 nan 8.150 nan 0.000 0.443 108 M N -0.974 118.719 119.600 0.155 0.000 2.067 108 M HA -0.151 4.331 4.480 0.003 0.000 0.260 108 M C 2.211 178.589 176.300 0.129 0.000 1.069 108 M CA 1.961 57.345 55.300 0.139 0.000 1.117 108 M CB -0.528 32.167 32.600 0.159 0.000 1.334 108 M HN 0.635 nan 8.290 nan 0.000 0.407 109 N N -0.323 118.454 118.700 0.128 0.000 2.216 109 N HA -0.081 4.661 4.740 0.003 0.000 0.183 109 N C 1.546 177.118 175.510 0.104 0.000 1.017 109 N CA 0.974 54.085 53.050 0.101 0.000 0.861 109 N CB 0.080 38.621 38.487 0.089 0.000 0.986 109 N HN 0.312 nan 8.380 nan 0.000 0.428 110 G N -1.055 107.815 108.800 0.116 0.000 3.088 110 G HA2 0.227 4.189 3.960 0.003 0.000 0.217 110 G HA3 0.227 4.189 3.960 0.003 0.000 0.217 110 G C 0.735 175.708 174.900 0.122 0.000 1.159 110 G CA 0.312 45.493 45.100 0.134 0.000 0.760 110 G HN 0.393 nan 8.290 nan 0.000 0.550 111 G N 0.236 109.093 108.800 0.095 0.000 2.249 111 G HA2 -0.309 3.653 3.960 0.003 0.000 0.273 111 G HA3 -0.309 3.653 3.960 0.003 0.000 0.273 111 G C 0.251 175.213 174.900 0.103 0.000 1.036 111 G CA 0.691 45.827 45.100 0.059 0.000 0.824 111 G HN 0.704 nan 8.290 nan 0.000 0.504 112 K N 0.124 120.616 120.400 0.153 0.000 2.183 112 K HA 0.578 4.900 4.320 0.003 0.000 0.274 112 K C 1.040 177.713 176.600 0.122 0.000 1.009 112 K CA -1.043 55.339 56.287 0.158 0.000 0.888 112 K CB 0.406 32.930 32.500 0.040 0.000 1.078 112 K HN 0.177 nan 8.250 nan 0.000 0.459 113 L N 5.547 126.830 121.223 0.099 0.000 2.559 113 L HA -0.064 4.277 4.340 0.003 0.000 0.274 113 L C 1.380 178.334 176.870 0.139 0.000 1.205 113 L CA -0.095 54.816 54.840 0.118 0.000 0.907 113 L CB -0.027 42.078 42.059 0.077 0.000 1.153 113 L HN 0.797 nan 8.230 nan 0.000 0.490 114 F N 2.665 122.650 119.950 0.059 0.000 2.095 114 F HA -0.282 4.246 4.527 0.003 0.000 0.298 114 F C 2.616 178.477 175.800 0.101 0.000 1.104 114 F CA 1.966 60.009 58.000 0.071 0.000 1.232 114 F CB -0.088 38.941 39.000 0.048 0.000 0.987 114 F HN 0.675 nan 8.300 nan 0.000 0.475 115 S N 0.226 115.932 115.700 0.010 0.000 2.383 115 S HA -0.229 4.243 4.470 0.003 0.000 0.229 115 S C 1.861 176.437 174.600 -0.040 0.000 1.030 115 S CA 1.370 59.534 58.200 -0.060 0.000 1.002 115 S CB -0.877 62.361 63.200 0.062 0.000 0.829 115 S HN 0.496 nan 8.310 nan 0.000 0.467 116 N N 2.467 121.172 118.700 0.007 0.000 2.171 116 N HA 0.087 4.828 4.740 0.003 0.000 0.184 116 N C 2.033 177.549 175.510 0.009 0.000 1.021 116 N CA 1.377 54.459 53.050 0.054 0.000 0.854 116 N CB -0.763 37.764 38.487 0.068 0.000 0.994 116 N HN 0.587 nan 8.380 nan 0.000 0.426 117 A N 0.201 122.988 122.820 -0.056 0.000 1.972 117 A HA -0.178 4.144 4.320 0.003 0.000 0.219 117 A C 2.082 179.594 177.584 -0.120 0.000 1.169 117 A CA 1.017 53.013 52.037 -0.068 0.000 0.635 117 A CB -0.742 18.233 19.000 -0.043 0.000 0.810 117 A HN 0.426 nan 8.150 nan 0.000 0.446 118 Y N -0.166 119.905 120.300 -0.382 0.000 2.243 118 Y HA 0.064 4.615 4.550 0.003 0.000 0.293 118 Y C 1.881 177.682 175.900 -0.166 0.000 1.124 118 Y CA 1.637 59.519 58.100 -0.364 0.000 1.159 118 Y CB -0.010 38.060 38.460 -0.650 0.000 1.008 118 Y HN 0.185 nan 8.280 nan 0.000 0.527 119 L N -1.261 119.960 121.223 -0.003 0.000 2.221 119 L HA -0.090 4.251 4.340 0.003 0.000 0.202 119 L C 2.067 178.928 176.870 -0.015 0.000 1.074 119 L CA 0.352 55.193 54.840 0.003 0.000 0.795 119 L CB -0.314 41.800 42.059 0.092 0.000 0.960 119 L HN 0.218 nan 8.230 nan 0.000 0.458 120 M N -0.314 119.302 119.600 0.027 0.000 2.240 120 M HA -0.026 4.456 4.480 0.003 0.000 0.257 120 M C 1.812 178.140 176.300 0.047 0.000 1.107 120 M CA 1.494 56.828 55.300 0.057 0.000 1.169 120 M CB -1.233 31.454 32.600 0.144 0.000 1.307 120 M HN 0.051 nan 8.290 nan 0.000 0.447 121 D N 1.232 121.672 120.400 0.067 0.000 2.087 121 D HA -0.133 4.509 4.640 0.003 0.000 0.192 121 D C 2.134 178.450 176.300 0.026 0.000 0.993 121 D CA 1.044 55.089 54.000 0.076 0.000 0.828 121 D CB -0.164 40.685 40.800 0.082 0.000 0.968 121 D HN 0.068 nan 8.370 nan 0.000 0.448 122 L N 0.576 121.773 121.223 -0.043 0.000 2.131 122 L HA -0.016 4.325 4.340 0.003 0.000 0.210 122 L C 2.416 179.243 176.870 -0.071 0.000 1.092 122 L CA 1.567 56.360 54.840 -0.078 0.000 0.759 122 L CB -1.433 40.507 42.059 -0.197 0.000 0.903 122 L HN 0.166 nan 8.230 nan 0.000 0.435 123 G N -0.695 108.058 108.800 -0.079 0.000 2.408 123 G HA2 -0.163 3.798 3.960 0.003 0.000 0.217 123 G HA3 -0.163 3.798 3.960 0.003 0.000 0.217 123 G C 1.576 176.484 174.900 0.013 0.000 1.150 123 G CA 0.668 45.740 45.100 -0.046 0.000 0.776 123 G HN 0.475 nan 8.290 nan 0.000 0.542 124 G N 0.026 108.850 108.800 0.039 0.000 2.422 124 G HA2 -0.187 3.774 3.960 0.003 0.000 0.218 124 G HA3 -0.187 3.774 3.960 0.003 0.000 0.218 124 G C 1.817 176.796 174.900 0.132 0.000 1.140 124 G CA 1.224 46.378 45.100 0.090 0.000 0.775 124 G HN 0.440 nan 8.290 nan 0.000 0.545 125 C N 0.456 119.825 119.300 0.114 0.000 2.432 125 C HA 0.005 4.466 4.460 0.003 0.000 0.277 125 C C 2.828 177.890 174.990 0.120 0.000 1.249 125 C CA 0.584 59.686 59.018 0.139 0.000 1.725 125 C CB -0.939 26.865 27.740 0.106 0.000 2.028 125 C HN 0.480 nan 8.230 nan 0.000 0.477 126 I N 0.604 121.220 120.570 0.077 0.000 2.179 126 I HA -0.211 3.961 4.170 0.003 0.000 0.242 126 I C 2.526 178.695 176.117 0.086 0.000 1.088 126 I CA 1.587 62.929 61.300 0.071 0.000 1.357 126 I CB -0.531 37.489 38.000 0.034 0.000 1.051 126 I HN 0.366 nan 8.210 nan 0.000 0.409 127 K N 0.209 120.656 120.400 0.078 0.000 2.097 127 K HA -0.129 4.192 4.320 0.003 0.000 0.206 127 K C 2.113 178.783 176.600 0.118 0.000 1.049 127 K CA 1.758 58.094 56.287 0.083 0.000 0.933 127 K CB -0.242 32.291 32.500 0.055 0.000 0.717 127 K HN 0.299 nan 8.250 nan 0.000 0.442 128 T N 1.759 116.386 114.554 0.122 0.000 2.737 128 T HA -0.079 4.272 4.350 0.003 0.000 0.265 128 T C 1.801 176.617 174.700 0.193 0.000 1.038 128 T CA 0.920 63.097 62.100 0.128 0.000 1.144 128 T CB -0.132 68.800 68.868 0.107 0.000 0.866 128 T HN 0.107 nan 8.240 nan 0.000 0.434 129 L N 0.450 121.773 121.223 0.167 0.000 2.046 129 L HA -0.100 4.242 4.340 0.003 0.000 0.208 129 L C 2.914 179.887 176.870 0.171 0.000 1.077 129 L CA 1.419 56.361 54.840 0.170 0.000 0.747 129 L CB -0.421 41.728 42.059 0.150 0.000 0.896 129 L HN 0.193 nan 8.230 nan 0.000 0.432 130 R N -1.385 119.203 120.500 0.148 0.000 2.115 130 R HA -0.206 4.135 4.340 0.003 0.000 0.230 130 R C 2.222 178.591 176.300 0.115 0.000 1.111 130 R CA 1.437 57.606 56.100 0.114 0.000 0.976 130 R CB -0.437 29.916 30.300 0.087 0.000 0.870 130 R HN 0.301 nan 8.270 nan 0.000 0.445 131 Y N 0.898 121.223 120.300 0.042 0.000 2.163 131 Y HA -0.261 4.290 4.550 0.003 0.000 0.288 131 Y C 2.363 178.315 175.900 0.086 0.000 1.136 131 Y CA 1.147 59.257 58.100 0.017 0.000 1.147 131 Y CB -0.440 38.048 38.460 0.046 0.000 0.987 131 Y HN -0.002 nan 8.280 nan 0.000 0.509 132 C N 0.479 119.954 119.300 0.293 0.000 2.413 132 C HA -0.149 4.312 4.460 0.003 0.000 0.276 132 C C 3.046 178.170 174.990 0.222 0.000 1.248 132 C CA 1.039 60.308 59.018 0.419 0.000 1.742 132 C CB -1.849 26.145 27.740 0.423 0.000 2.017 132 C HN 0.734 nan 8.230 nan 0.000 0.481 133 A N 1.104 124.005 122.820 0.135 0.000 1.892 133 A HA -0.050 4.272 4.320 0.003 0.000 0.218 133 A C 2.435 180.013 177.584 -0.009 0.000 1.188 133 A CA 2.299 54.389 52.037 0.089 0.000 0.631 133 A CB -1.350 17.695 19.000 0.074 0.000 0.822 133 A HN 0.568 nan 8.150 nan 0.000 0.447 134 G N -2.354 106.358 108.800 -0.147 0.000 2.448 134 G HA2 -0.242 3.720 3.960 0.003 0.000 0.219 134 G HA3 -0.242 3.720 3.960 0.003 0.000 0.219 134 G C 1.407 176.107 174.900 -0.334 0.000 1.127 134 G CA 0.807 45.734 45.100 -0.287 0.000 0.766 134 G HN 0.696 nan 8.290 nan 0.000 0.552 135 W N 0.726 121.811 121.300 -0.358 0.000 2.467 135 W HA 0.213 4.875 4.660 0.003 0.000 0.275 135 W C 2.883 179.309 176.519 -0.155 0.000 1.239 135 W CA 0.342 57.452 57.345 -0.392 0.000 1.266 135 W CB 0.176 29.143 29.460 -0.823 0.000 1.112 135 W HN 0.275 nan 8.180 nan 0.000 0.576 136 A N 1.493 124.425 122.820 0.187 0.000 1.894 136 A HA -0.347 3.975 4.320 0.003 0.000 0.220 136 A C 1.392 179.025 177.584 0.081 0.000 1.237 136 A CA 2.603 54.723 52.037 0.138 0.000 0.660 136 A CB -1.192 17.863 19.000 0.092 0.000 0.835 136 A HN 0.393 nan 8.150 nan 0.000 0.461 137 D N -1.565 118.860 120.400 0.042 0.000 2.370 137 D HA 0.136 4.778 4.640 0.003 0.000 0.230 137 D C 0.715 177.038 176.300 0.039 0.000 1.143 137 D CA 0.264 54.276 54.000 0.019 0.000 0.834 137 D CB -0.009 40.784 40.800 -0.012 0.000 0.944 137 D HN 0.547 nan 8.370 nan 0.000 0.504 138 K N 0.046 120.508 120.400 0.105 0.000 2.413 138 K HA 0.200 4.522 4.320 0.003 0.000 0.204 138 K C -0.009 176.723 176.600 0.220 0.000 1.041 138 K CA -0.522 55.858 56.287 0.155 0.000 1.082 138 K CB 1.208 33.791 32.500 0.139 0.000 0.871 138 K HN 0.072 nan 8.250 nan 0.000 0.535 139 I N 3.065 123.725 120.570 0.151 0.000 2.347 139 I HA 0.101 4.272 4.170 0.003 0.000 0.294 139 I C 0.048 176.204 176.117 0.066 0.000 1.090 139 I CA 0.513 61.863 61.300 0.085 0.000 1.314 139 I CB 0.051 38.094 38.000 0.073 0.000 1.423 139 I HN 0.142 nan 8.210 nan 0.000 0.503 140 Q N 3.479 123.318 119.800 0.064 0.000 2.399 140 Q HA 0.687 5.028 4.340 0.003 0.000 0.276 140 Q C 0.372 176.409 176.000 0.061 0.000 1.098 140 Q CA -0.755 55.083 55.803 0.058 0.000 0.827 140 Q CB 2.688 31.461 28.738 0.059 0.000 1.386 140 Q HN 0.736 nan 8.270 nan 0.000 0.443 141 G N 0.426 109.263 108.800 0.063 0.000 2.702 141 G HA2 0.617 4.579 3.960 0.003 0.000 0.254 141 G HA3 0.617 4.579 3.960 0.003 0.000 0.254 141 G C -0.598 174.344 174.900 0.070 0.000 1.380 141 G CA -0.370 44.774 45.100 0.074 0.000 1.042 141 G HN 0.284 nan 8.290 nan 0.000 0.557 142 R N -1.176 119.369 120.500 0.075 0.000 2.867 142 R HA 0.579 4.921 4.340 0.003 0.000 0.268 142 R C -0.968 175.379 176.300 0.078 0.000 1.014 142 R CA -0.586 55.553 56.100 0.065 0.000 0.946 142 R CB 1.420 31.747 30.300 0.045 0.000 1.208 142 R HN 0.746 nan 8.270 nan 0.000 0.477 143 T N -1.395 113.206 114.554 0.078 0.000 2.809 143 T HA 0.623 4.975 4.350 0.003 0.000 0.284 143 T C 0.254 174.994 174.700 0.067 0.000 0.992 143 T CA -0.661 61.493 62.100 0.090 0.000 0.957 143 T CB 0.494 69.469 68.868 0.180 0.000 0.942 143 T HN 0.378 nan 8.240 nan 0.000 0.439 144 I N 5.483 126.069 120.570 0.028 0.000 2.321 144 I HA 0.327 4.499 4.170 0.003 0.000 0.291 144 I C -1.735 174.413 176.117 0.052 0.000 0.998 144 I CA -2.668 58.648 61.300 0.025 0.000 1.227 144 I CB 2.146 40.139 38.000 -0.013 0.000 1.368 144 I HN 0.495 nan 8.210 nan 0.000 0.466 145 P HA 0.083 nan 4.420 nan 0.000 0.226 145 P C -0.145 177.194 177.300 0.065 0.000 1.783 145 P CA -0.270 62.876 63.100 0.077 0.000 0.980 145 P CB -0.111 31.627 31.700 0.064 0.000 1.967 146 M N -1.008 118.631 119.600 0.065 0.000 2.036 146 M HA 0.317 4.798 4.480 0.003 0.000 0.276 146 M C -0.231 176.122 176.300 0.089 0.000 1.262 146 M CA 0.228 55.558 55.300 0.051 0.000 1.097 146 M CB 0.046 32.653 32.600 0.013 0.000 1.386 146 M HN -0.197 nan 8.290 nan 0.000 0.482 147 D N 0.572 121.017 120.400 0.075 0.000 2.341 147 D HA 0.540 5.181 4.640 0.003 0.000 0.245 147 D C 0.536 176.967 176.300 0.218 0.000 1.106 147 D CA 1.196 55.259 54.000 0.105 0.000 0.905 147 D CB 0.951 41.790 40.800 0.066 0.000 1.202 147 D HN 0.998 nan 8.370 nan 0.000 0.426 148 G N 1.840 110.765 108.800 0.208 0.000 2.796 148 G HA2 -0.224 3.737 3.960 0.003 0.000 0.571 148 G HA3 -0.224 3.737 3.960 0.003 0.000 0.571 148 G C -0.394 174.605 174.900 0.165 0.000 1.370 148 G CA -0.873 44.383 45.100 0.260 0.000 0.856 148 G HN 0.511 nan 8.290 nan 0.000 0.538 149 N N 0.780 119.372 118.700 -0.180 0.000 2.739 149 N HA 0.504 5.245 4.740 0.003 0.000 0.266 149 N C -0.789 174.298 175.510 -0.704 0.000 1.168 149 N CA 0.681 53.533 53.050 -0.330 0.000 1.055 149 N CB -0.418 37.884 38.487 -0.309 0.000 1.393 149 N HN 0.360 nan 8.380 nan 0.000 0.514 150 F N 0.420 120.415 119.950 0.076 0.000 2.613 150 F HA 0.400 4.928 4.527 0.003 0.000 0.310 150 F C -0.426 175.485 175.800 0.184 0.000 1.085 150 F CA -1.234 56.826 58.000 0.100 0.000 0.945 150 F CB 1.330 40.360 39.000 0.050 0.000 1.298 150 F HN 0.010 nan 8.300 nan 0.000 0.455 151 F N 1.641 121.727 119.950 0.227 0.000 2.402 151 F HA 0.714 5.243 4.527 0.003 0.000 0.355 151 F C -0.614 175.289 175.800 0.172 0.000 1.123 151 F CA -0.688 57.416 58.000 0.173 0.000 1.021 151 F CB 1.085 40.177 39.000 0.153 0.000 1.160 151 F HN 0.359 nan 8.300 nan 0.000 0.451 152 T N 7.397 121.785 114.554 -0.276 0.000 2.848 152 T HA 0.551 4.902 4.350 0.003 0.000 0.285 152 T C -1.506 172.930 174.700 -0.439 0.000 0.995 152 T CA -0.352 61.512 62.100 -0.393 0.000 0.970 152 T CB 1.104 69.863 68.868 -0.182 0.000 0.976 152 T HN 0.512 nan 8.240 nan 0.000 0.441 153 Y N -0.397 119.610 120.300 -0.488 0.000 2.588 153 Y HA 0.818 5.370 4.550 0.003 0.000 0.343 153 Y C -0.259 175.534 175.900 -0.178 0.000 1.065 153 Y CA -1.341 56.565 58.100 -0.324 0.000 1.038 153 Y CB 0.876 39.109 38.460 -0.379 0.000 1.297 153 Y HN 0.625 nan 8.280 nan 0.000 0.467 154 T N -0.173 114.426 114.554 0.076 0.000 2.932 154 T HA 0.740 5.091 4.350 0.003 0.000 0.289 154 T C -0.820 173.966 174.700 0.143 0.000 1.039 154 T CA -1.119 60.993 62.100 0.020 0.000 1.024 154 T CB 1.907 70.778 68.868 0.006 0.000 1.090 154 T HN 0.814 nan 8.240 nan 0.000 0.496 155 R N 0.896 121.448 120.500 0.085 0.000 2.437 155 R HA 0.531 4.872 4.340 0.003 0.000 0.310 155 R C -0.617 175.713 176.300 0.050 0.000 0.955 155 R CA -0.607 55.551 56.100 0.097 0.000 0.851 155 R CB 1.905 32.267 30.300 0.104 0.000 1.161 155 R HN 0.658 nan 8.270 nan 0.000 0.446 156 S N 3.024 118.752 115.700 0.047 0.000 3.363 156 S HA 0.098 4.570 4.470 0.003 0.000 0.267 156 S C -0.231 174.385 174.600 0.027 0.000 1.288 156 S CA -0.464 57.750 58.200 0.023 0.000 0.948 156 S CB 0.035 63.253 63.200 0.030 0.000 1.397 156 S HN 0.439 nan 8.310 nan 0.000 0.493 157 E N 2.650 122.870 120.200 0.033 0.000 2.342 157 E HA 0.273 4.624 4.350 0.003 0.000 0.257 157 E C -2.490 174.166 176.600 0.094 0.000 1.150 157 E CA -2.240 54.200 56.400 0.067 0.000 0.926 157 E CB 0.134 29.883 29.700 0.082 0.000 1.074 157 E HN 0.236 nan 8.360 nan 0.000 0.449 158 P HA -0.031 nan 4.420 nan 0.000 0.274 158 P C 0.474 177.859 177.300 0.141 0.000 1.246 158 P CA -0.173 63.050 63.100 0.204 0.000 0.795 158 P CB 0.641 32.583 31.700 0.403 0.000 1.006 159 V N 0.093 120.020 119.914 0.022 0.000 2.453 159 V HA 0.095 4.216 4.120 0.003 0.000 0.247 159 V C 1.409 177.385 176.094 -0.197 0.000 1.048 159 V CA 2.292 64.557 62.300 -0.058 0.000 1.049 159 V CB -1.556 30.220 31.823 -0.078 0.000 0.672 159 V HN 1.020 nan 8.190 nan 0.000 0.457 160 G N -0.716 107.772 108.800 -0.520 0.000 2.253 160 G HA2 -0.111 3.850 3.960 0.003 0.000 0.190 160 G HA3 -0.111 3.850 3.960 0.003 0.000 0.190 160 G C -0.611 173.806 174.900 -0.805 0.000 1.274 160 G CA -0.283 44.070 45.100 -1.246 0.000 1.275 160 G HN 0.200 nan 8.290 nan 0.000 0.518 161 V N 1.153 120.780 119.914 -0.479 0.000 2.405 161 V HA 0.407 4.528 4.120 0.003 0.000 0.264 161 V C 0.328 176.332 176.094 -0.149 0.000 1.048 161 V CA -0.161 61.989 62.300 -0.249 0.000 0.966 161 V CB 0.295 32.022 31.823 -0.160 0.000 1.015 161 V HN 0.811 nan 8.190 nan 0.000 0.477 162 C N 5.022 124.264 119.300 -0.096 0.000 2.264 162 C HA 0.668 5.129 4.460 0.003 0.000 0.324 162 C C 1.078 176.059 174.990 -0.015 0.000 1.267 162 C CA -0.993 58.014 59.018 -0.017 0.000 1.618 162 C CB 0.151 27.951 27.740 0.100 0.000 2.278 162 C HN 0.991 nan 8.230 nan 0.000 0.499 163 G N 3.119 111.914 108.800 -0.008 0.000 2.353 163 G HA2 0.514 4.476 3.960 0.003 0.000 0.284 163 G HA3 0.514 4.476 3.960 0.003 0.000 0.284 163 G C -0.738 174.189 174.900 0.045 0.000 1.172 163 G CA -0.151 44.950 45.100 0.002 0.000 0.854 163 G HN 0.818 nan 8.290 nan 0.000 0.485 164 Q N 1.760 121.585 119.800 0.042 0.000 2.309 164 Q HA 0.402 4.744 4.340 0.003 0.000 0.270 164 Q C -0.763 175.292 176.000 0.091 0.000 1.023 164 Q CA -0.434 55.409 55.803 0.067 0.000 0.758 164 Q CB 2.635 31.378 28.738 0.008 0.000 1.247 164 Q HN 0.511 nan 8.270 nan 0.000 0.455 165 I N 4.914 125.577 120.570 0.156 0.000 2.330 165 I HA 0.450 4.622 4.170 0.003 0.000 0.289 165 I C -0.007 176.156 176.117 0.077 0.000 1.001 165 I CA -0.806 60.611 61.300 0.194 0.000 1.193 165 I CB 0.761 38.993 38.000 0.387 0.000 1.345 165 I HN 0.542 nan 8.210 nan 0.000 0.461 166 I N 5.514 126.114 120.570 0.050 0.000 2.693 166 I HA 0.728 4.899 4.170 0.003 0.000 0.303 166 I C -2.644 173.449 176.117 -0.041 0.000 1.025 166 I CA -2.323 58.957 61.300 -0.033 0.000 1.086 166 I CB 2.158 40.187 38.000 0.047 0.000 1.268 166 I HN 0.240 nan 8.210 nan 0.000 0.440 167 P HA 0.109 nan 4.420 nan 0.000 0.279 167 P C -0.080 177.176 177.300 -0.074 0.000 1.282 167 P CA -0.168 62.809 63.100 -0.205 0.000 0.788 167 P CB 0.726 32.193 31.700 -0.389 0.000 1.139 168 W N 0.684 122.036 121.300 0.086 0.000 3.114 168 W HA 0.036 4.697 4.660 0.002 0.000 0.279 168 W C 1.032 177.601 176.519 0.083 0.000 1.277 168 W CA 0.197 57.594 57.345 0.086 0.000 1.630 168 W CB -1.493 28.015 29.460 0.079 0.000 1.087 168 W HN 0.225 nan 8.180 nan 0.000 0.637 169 N N 1.969 120.573 118.700 -0.160 0.000 2.270 169 N HA -0.171 4.570 4.740 0.003 0.000 0.181 169 N C -0.181 175.074 175.510 -0.425 0.000 1.016 169 N CA 0.850 53.861 53.050 -0.065 0.000 0.870 169 N CB -1.071 37.290 38.487 -0.210 0.000 0.979 169 N HN 0.089 nan 8.380 nan 0.000 0.431 170 F N -0.318 119.614 119.950 -0.030 0.000 2.794 170 F HA 0.437 4.965 4.527 0.003 0.000 0.353 170 F C -1.861 173.913 175.800 -0.044 0.000 1.371 170 F CA -2.081 55.868 58.000 -0.086 0.000 1.173 170 F CB 2.088 40.974 39.000 -0.190 0.000 1.693 170 F HN -0.180 nan 8.300 nan 0.000 0.606 171 P HA -0.249 nan 4.420 nan 0.000 0.213 171 P C 2.019 179.402 177.300 0.139 0.000 1.176 171 P CA 1.227 64.401 63.100 0.124 0.000 0.919 171 P CB 0.407 32.174 31.700 0.112 0.000 0.791 172 L N -1.463 119.826 121.223 0.109 0.000 2.093 172 L HA -0.089 4.252 4.340 0.003 0.000 0.208 172 L C 2.177 179.162 176.870 0.192 0.000 1.085 172 L CA 1.603 56.515 54.840 0.120 0.000 0.755 172 L CB -1.513 40.585 42.059 0.065 0.000 0.904 172 L HN -0.132 nan 8.230 nan 0.000 0.435 173 L N -1.079 120.228 121.223 0.141 0.000 2.017 173 L HA -0.189 4.153 4.340 0.003 0.000 0.208 173 L C 2.322 179.216 176.870 0.041 0.000 1.073 173 L CA 1.812 56.709 54.840 0.094 0.000 0.745 173 L CB -0.526 41.520 42.059 -0.021 0.000 0.894 173 L HN 0.233 nan 8.230 nan 0.000 0.432 174 M N -1.612 117.985 119.600 -0.006 0.000 2.159 174 M HA -0.215 4.266 4.480 0.003 0.000 0.263 174 M C 2.342 178.735 176.300 0.156 0.000 1.063 174 M CA 1.509 56.801 55.300 -0.013 0.000 1.110 174 M CB -1.476 31.114 32.600 -0.017 0.000 1.374 174 M HN 0.310 nan 8.290 nan 0.000 0.411 175 F N 1.381 121.365 119.950 0.057 0.000 2.069 175 F HA -0.217 4.312 4.527 0.002 0.000 0.298 175 F C 2.055 177.902 175.800 0.077 0.000 1.113 175 F CA 1.700 59.734 58.000 0.057 0.000 1.214 175 F CB -0.304 38.722 39.000 0.043 0.000 0.978 175 F HN 0.015 nan 8.300 nan 0.000 0.474 176 L N -1.865 119.531 121.223 0.288 0.000 2.291 176 L HA -0.173 4.168 4.340 0.003 0.000 0.214 176 L C 2.045 179.027 176.870 0.187 0.000 1.120 176 L CA 0.473 55.429 54.840 0.192 0.000 0.799 176 L CB -0.753 41.466 42.059 0.267 0.000 0.925 176 L HN 0.249 nan 8.230 nan 0.000 0.446 177 W N 0.879 122.170 121.300 -0.016 0.000 2.402 177 W HA -0.122 4.539 4.660 0.002 0.000 0.286 177 W C 2.499 178.968 176.519 -0.083 0.000 1.221 177 W CA 0.845 58.176 57.345 -0.023 0.000 1.257 177 W CB 0.001 29.456 29.460 -0.008 0.000 1.120 177 W HN -0.034 nan 8.180 nan 0.000 0.551 178 K N 0.030 120.480 120.400 0.083 0.000 2.029 178 K HA 0.026 4.348 4.320 0.003 0.000 0.205 178 K C 1.957 178.385 176.600 -0.287 0.000 1.042 178 K CA 1.603 57.844 56.287 -0.076 0.000 0.949 178 K CB -1.396 31.056 32.500 -0.079 0.000 0.740 178 K HN 0.333 nan 8.250 nan 0.000 0.442 179 I N -1.410 118.953 120.570 -0.345 0.000 2.546 179 I HA -0.001 4.170 4.170 0.003 0.000 0.255 179 I C 2.040 177.995 176.117 -0.270 0.000 1.163 179 I CA 1.390 62.465 61.300 -0.375 0.000 1.457 179 I CB -0.905 36.799 38.000 -0.492 0.000 1.092 179 I HN -0.025 nan 8.210 nan 0.000 0.434 180 G N 2.333 111.025 108.800 -0.180 0.000 2.587 180 G HA2 -0.162 3.800 3.960 0.003 0.000 0.217 180 G HA3 -0.162 3.800 3.960 0.003 0.000 0.217 180 G C -0.443 174.363 174.900 -0.156 0.000 1.240 180 G CA 1.327 46.382 45.100 -0.075 0.000 0.794 180 G HN 0.376 nan 8.290 nan 0.000 0.580 181 P HA -0.017 nan 4.420 nan 0.000 0.216 181 P C 2.255 179.124 177.300 -0.719 0.000 1.153 181 P CA 2.060 64.652 63.100 -0.847 0.000 0.848 181 P CB -0.159 30.921 31.700 -1.033 0.000 0.787 182 A N -0.301 121.958 122.820 -0.935 0.000 1.865 182 A HA -0.201 4.120 4.320 0.003 0.000 0.217 182 A C 2.214 179.686 177.584 -0.186 0.000 1.191 182 A CA 1.754 53.314 52.037 -0.795 0.000 0.623 182 A CB -1.748 16.802 19.000 -0.750 0.000 0.826 182 A HN 0.096 nan 8.150 nan 0.000 0.444 183 L N -0.738 120.454 121.223 -0.053 0.000 2.093 183 L HA -0.130 4.211 4.340 0.003 0.000 0.208 183 L C 2.864 179.929 176.870 0.326 0.000 1.085 183 L CA 1.407 56.427 54.840 0.300 0.000 0.755 183 L CB -0.634 41.593 42.059 0.279 0.000 0.904 183 L HN 0.518 nan 8.230 nan 0.000 0.435 184 S N -0.522 115.291 115.700 0.187 0.000 2.383 184 S HA -0.213 4.259 4.470 0.003 0.000 0.229 184 S C 1.916 176.626 174.600 0.182 0.000 1.030 184 S CA 1.558 59.902 58.200 0.240 0.000 1.002 184 S CB -0.276 63.161 63.200 0.395 0.000 0.829 184 S HN 0.545 nan 8.310 nan 0.000 0.467 185 C N 0.617 119.993 119.300 0.128 0.000 2.562 185 C HA 0.479 4.941 4.460 0.003 0.000 0.266 185 C C 1.909 176.949 174.990 0.084 0.000 1.382 185 C CA 0.029 59.113 59.018 0.111 0.000 1.742 185 C CB -1.036 26.768 27.740 0.108 0.000 1.812 185 C HN 0.847 nan 8.230 nan 0.000 0.559 186 G N 1.157 110.020 108.800 0.105 0.000 2.148 186 G HA2 -0.183 3.779 3.960 0.003 0.000 0.203 186 G HA3 -0.183 3.779 3.960 0.003 0.000 0.203 186 G C -0.189 174.983 174.900 0.454 0.000 0.993 186 G CA -0.308 44.816 45.100 0.040 0.000 0.661 186 G HN 0.500 nan 8.290 nan 0.000 0.518 187 N N 0.686 119.635 118.700 0.416 0.000 2.408 187 N HA 0.542 5.283 4.740 0.003 0.000 0.260 187 N C 0.357 176.088 175.510 0.368 0.000 1.242 187 N CA 0.914 54.131 53.050 0.278 0.000 0.959 187 N CB 0.959 39.498 38.487 0.085 0.000 1.201 187 N HN 0.508 nan 8.380 nan 0.000 0.511 188 T N -2.428 112.187 114.554 0.100 0.000 2.863 188 T HA 0.613 4.965 4.350 0.003 0.000 0.285 188 T C 0.015 174.669 174.700 -0.075 0.000 1.009 188 T CA -0.825 61.279 62.100 0.008 0.000 0.989 188 T CB 1.155 70.047 68.868 0.040 0.000 1.004 188 T HN 0.313 nan 8.240 nan 0.000 0.455 189 V N -0.441 119.408 119.914 -0.107 0.000 3.074 189 V HA 0.941 5.062 4.120 0.003 0.000 0.314 189 V C -0.961 175.077 176.094 -0.093 0.000 1.117 189 V CA -1.100 61.137 62.300 -0.105 0.000 1.014 189 V CB 2.006 33.744 31.823 -0.143 0.000 1.057 189 V HN 0.813 nan 8.190 nan 0.000 0.438 190 V N 2.553 122.424 119.914 -0.071 0.000 2.385 190 V HA 0.372 4.494 4.120 0.003 0.000 0.277 190 V C -0.207 175.878 176.094 -0.015 0.000 1.012 190 V CA -0.355 61.918 62.300 -0.046 0.000 0.832 190 V CB 1.277 33.061 31.823 -0.065 0.000 1.028 190 V HN 0.795 nan 8.190 nan 0.000 0.436 191 V N 4.284 124.202 119.914 0.007 0.000 2.498 191 V HA 0.475 4.596 4.120 0.003 0.000 0.279 191 V C 0.344 176.508 176.094 0.117 0.000 1.048 191 V CA -0.500 61.825 62.300 0.041 0.000 0.967 191 V CB 1.683 33.522 31.823 0.027 0.000 0.988 191 V HN 0.655 nan 8.190 nan 0.000 0.473 192 K N 7.311 127.782 120.400 0.119 0.000 2.530 192 K HA 0.392 4.713 4.320 0.003 0.000 0.230 192 K C -2.712 173.978 176.600 0.149 0.000 1.002 192 K CA -2.151 54.215 56.287 0.130 0.000 1.014 192 K CB 1.923 34.487 32.500 0.106 0.000 1.286 192 K HN 0.410 nan 8.250 nan 0.000 0.480 193 P HA 0.069 nan 4.420 nan 0.000 0.272 193 P C -0.348 177.036 177.300 0.140 0.000 1.230 193 P CA -0.370 62.837 63.100 0.178 0.000 0.788 193 P CB 0.690 32.506 31.700 0.192 0.000 0.949 194 A N 2.321 125.234 122.820 0.155 0.000 2.498 194 A HA 0.018 4.340 4.320 0.003 0.000 0.239 194 A C 1.662 179.312 177.584 0.111 0.000 1.068 194 A CA -0.224 51.913 52.037 0.168 0.000 0.766 194 A CB -0.200 18.973 19.000 0.288 0.000 1.003 194 A HN 0.676 nan 8.150 nan 0.000 0.497 195 E N 1.946 122.140 120.200 -0.010 0.000 2.265 195 E HA -0.257 4.094 4.350 0.003 0.000 0.196 195 E C 1.055 177.693 176.600 0.065 0.000 0.996 195 E CA 1.707 57.984 56.400 -0.205 0.000 0.832 195 E CB -0.282 28.989 29.700 -0.714 0.000 0.756 195 E HN 0.833 nan 8.360 nan 0.000 0.491 196 Q N 0.674 120.544 119.800 0.118 0.000 2.269 196 Q HA 0.021 4.363 4.340 0.003 0.000 0.201 196 Q C 0.695 176.783 176.000 0.145 0.000 0.946 196 Q CA 1.603 57.480 55.803 0.123 0.000 0.877 196 Q CB 0.482 29.230 28.738 0.017 0.000 0.963 196 Q HN 0.438 nan 8.270 nan 0.000 0.472 197 T N -3.107 111.554 114.554 0.178 0.000 3.658 197 T HA 0.284 4.635 4.350 0.003 0.000 0.245 197 T C -2.361 172.416 174.700 0.129 0.000 1.292 197 T CA -1.285 60.906 62.100 0.152 0.000 1.598 197 T CB 1.007 69.990 68.868 0.192 0.000 0.861 197 T HN -0.027 nan 8.240 nan 0.000 0.663 198 P HA 0.151 nan 4.420 nan 0.000 0.230 198 P C 1.669 178.999 177.300 0.051 0.000 1.168 198 P CA -0.043 63.121 63.100 0.107 0.000 0.793 198 P CB 0.312 32.114 31.700 0.169 0.000 0.851 199 L N 0.705 121.945 121.223 0.028 0.000 1.978 199 L HA -0.189 4.152 4.340 0.003 0.000 0.218 199 L C 2.809 179.724 176.870 0.075 0.000 1.075 199 L CA 2.890 57.758 54.840 0.047 0.000 0.767 199 L CB -2.263 39.824 42.059 0.047 0.000 0.890 199 L HN 0.122 nan 8.230 nan 0.000 0.434 200 T N -2.370 112.208 114.554 0.041 0.000 2.833 200 T HA -0.087 4.264 4.350 0.003 0.000 0.269 200 T C 1.925 176.536 174.700 -0.147 0.000 1.054 200 T CA 0.914 63.012 62.100 -0.002 0.000 1.135 200 T CB -0.380 68.482 68.868 -0.010 0.000 0.869 200 T HN 0.351 nan 8.240 nan 0.000 0.466 201 A N 1.769 124.443 122.820 -0.243 0.000 1.898 201 A HA 0.182 4.504 4.320 0.003 0.000 0.216 201 A C 2.432 179.766 177.584 -0.417 0.000 1.181 201 A CA 1.200 52.862 52.037 -0.625 0.000 0.620 201 A CB -0.831 17.950 19.000 -0.365 0.000 0.819 201 A HN 0.541 nan 8.150 nan 0.000 0.442 202 L N -1.685 119.482 121.223 -0.093 0.000 2.093 202 L HA -0.176 4.166 4.340 0.003 0.000 0.208 202 L C 2.610 179.484 176.870 0.006 0.000 1.085 202 L CA 1.726 56.615 54.840 0.081 0.000 0.755 202 L CB -0.756 41.416 42.059 0.188 0.000 0.904 202 L HN 0.620 nan 8.230 nan 0.000 0.435 203 H N -0.095 118.923 119.070 -0.087 0.000 2.387 203 H HA -0.182 4.375 4.556 0.003 0.000 0.299 203 H C 2.294 177.436 175.328 -0.310 0.000 1.099 203 H CA 1.582 57.530 56.048 -0.168 0.000 1.315 203 H CB 0.178 29.931 29.762 -0.014 0.000 1.380 203 H HN 0.059 nan 8.280 nan 0.000 0.513 204 M N -0.163 119.271 119.600 -0.276 0.000 2.279 204 M HA -0.071 4.410 4.480 0.003 0.000 0.264 204 M C 2.565 178.602 176.300 -0.438 0.000 1.062 204 M CA 1.224 56.334 55.300 -0.317 0.000 1.099 204 M CB -1.348 31.000 32.600 -0.420 0.000 1.394 204 M HN 0.535 nan 8.290 nan 0.000 0.426 205 G N 0.477 108.910 108.800 -0.612 0.000 2.446 205 G HA2 -0.259 3.702 3.960 0.003 0.000 0.217 205 G HA3 -0.259 3.702 3.960 0.003 0.000 0.217 205 G C 1.692 176.064 174.900 -0.881 0.000 1.168 205 G CA 1.691 46.032 45.100 -1.265 0.000 0.771 205 G HN 0.594 nan 8.290 nan 0.000 0.551 206 S N 0.535 115.890 115.700 -0.575 0.000 2.399 206 S HA 0.023 4.494 4.470 0.003 0.000 0.231 206 S C 2.342 176.795 174.600 -0.244 0.000 1.022 206 S CA 1.150 59.128 58.200 -0.371 0.000 0.983 206 S CB -0.362 62.352 63.200 -0.812 0.000 0.803 206 S HN 0.307 nan 8.310 nan 0.000 0.480 207 L N 0.438 121.480 121.223 -0.301 0.000 2.156 207 L HA 0.108 4.450 4.340 0.003 0.000 0.208 207 L C 2.522 179.386 176.870 -0.011 0.000 1.095 207 L CA 0.935 55.708 54.840 -0.111 0.000 0.770 207 L CB -0.564 41.450 42.059 -0.074 0.000 0.914 207 L HN 0.314 nan 8.230 nan 0.000 0.439 208 I N 0.063 120.582 120.570 -0.086 0.000 2.315 208 I HA -0.268 3.904 4.170 0.003 0.000 0.248 208 I C 2.686 178.916 176.117 0.189 0.000 1.117 208 I CA 1.225 62.520 61.300 -0.008 0.000 1.404 208 I CB -0.189 37.689 38.000 -0.204 0.000 1.071 208 I HN 0.234 nan 8.210 nan 0.000 0.419 209 K N 1.167 121.650 120.400 0.139 0.000 2.062 209 K HA -0.217 4.104 4.320 0.003 0.000 0.205 209 K C 2.100 178.792 176.600 0.153 0.000 1.051 209 K CA 1.364 57.770 56.287 0.199 0.000 0.941 209 K CB 0.001 32.642 32.500 0.235 0.000 0.719 209 K HN 0.239 nan 8.250 nan 0.000 0.440 210 E N -0.013 120.257 120.200 0.116 0.000 2.150 210 E HA -0.152 4.200 4.350 0.003 0.000 0.193 210 E C 1.612 178.279 176.600 0.112 0.000 0.985 210 E CA 0.873 57.333 56.400 0.101 0.000 0.814 210 E CB -0.062 29.683 29.700 0.075 0.000 0.752 210 E HN 0.417 nan 8.360 nan 0.000 0.466 211 A N 0.207 123.126 122.820 0.164 0.000 2.067 211 A HA 0.062 4.383 4.320 0.003 0.000 0.219 211 A C 1.878 179.499 177.584 0.062 0.000 1.158 211 A CA 1.409 53.544 52.037 0.163 0.000 0.661 211 A CB -0.456 18.749 19.000 0.343 0.000 0.801 211 A HN 0.539 nan 8.150 nan 0.000 0.452 212 G N -2.912 105.946 108.800 0.096 0.000 2.154 212 G HA2 -0.152 3.810 3.960 0.003 0.000 0.186 212 G HA3 -0.152 3.810 3.960 0.003 0.000 0.186 212 G C -0.068 174.811 174.900 -0.034 0.000 1.000 212 G CA -0.230 44.876 45.100 0.011 0.000 0.664 212 G HN 0.258 nan 8.290 nan 0.000 0.513 213 F N 1.544 121.506 119.950 0.020 0.000 2.529 213 F HA 0.428 4.956 4.527 0.002 0.000 0.365 213 F C -1.253 174.503 175.800 -0.074 0.000 1.102 213 F CA -1.592 56.379 58.000 -0.049 0.000 1.271 213 F CB 0.466 39.383 39.000 -0.138 0.000 1.120 213 F HN -0.112 nan 8.300 nan 0.000 0.579 214 P HA 0.014 nan 4.420 nan 0.000 0.266 214 P C -2.399 174.876 177.300 -0.041 0.000 1.195 214 P CA -0.794 62.319 63.100 0.020 0.000 0.768 214 P CB -0.082 31.659 31.700 0.068 0.000 0.838 215 P HA -0.050 nan 4.420 nan 0.000 0.265 215 P C 0.831 178.059 177.300 -0.120 0.000 1.193 215 P CA 0.987 64.026 63.100 -0.102 0.000 0.765 215 P CB 0.357 32.002 31.700 -0.092 0.000 0.823 216 G N 1.722 110.420 108.800 -0.169 0.000 2.234 216 G HA2 -0.297 3.664 3.960 0.003 0.000 0.235 216 G HA3 -0.297 3.664 3.960 0.003 0.000 0.235 216 G C 0.870 175.670 174.900 -0.166 0.000 0.997 216 G CA 0.152 45.164 45.100 -0.147 0.000 0.623 216 G HN 0.378 nan 8.290 nan 0.000 0.514 217 V N 0.055 119.820 119.914 -0.249 0.000 2.358 217 V HA 0.090 4.211 4.120 0.003 0.000 0.246 217 V C 1.418 177.337 176.094 -0.291 0.000 1.047 217 V CA 2.000 64.047 62.300 -0.422 0.000 1.035 217 V CB 0.095 31.431 31.823 -0.811 0.000 0.658 217 V HN 0.406 nan 8.190 nan 0.000 0.452 218 V N 1.560 121.360 119.914 -0.191 0.000 2.483 218 V HA 0.481 4.602 4.120 0.003 0.000 0.297 218 V C -0.823 175.306 176.094 0.059 0.000 1.027 218 V CA -0.777 61.465 62.300 -0.097 0.000 0.855 218 V CB 1.750 33.501 31.823 -0.121 0.000 0.995 218 V HN 0.415 nan 8.190 nan 0.000 0.424 219 N N 5.207 123.927 118.700 0.035 0.000 2.296 219 N HA 0.647 5.389 4.740 0.003 0.000 0.294 219 N C -1.185 174.402 175.510 0.128 0.000 1.033 219 N CA -0.384 52.703 53.050 0.060 0.000 0.839 219 N CB 3.019 41.466 38.487 -0.067 0.000 1.395 219 N HN 0.512 nan 8.380 nan 0.000 0.479 220 I N 1.399 122.102 120.570 0.221 0.000 2.389 220 I HA 0.334 4.506 4.170 0.003 0.000 0.288 220 I C -0.410 175.820 176.117 0.187 0.000 0.999 220 I CA -0.954 60.478 61.300 0.220 0.000 1.129 220 I CB 1.953 40.107 38.000 0.257 0.000 1.288 220 I HN 0.037 nan 8.210 nan 0.000 0.444 221 V N 8.041 128.045 119.914 0.151 0.000 2.305 221 V HA 0.305 4.427 4.120 0.003 0.000 0.275 221 V C -2.007 174.178 176.094 0.152 0.000 1.020 221 V CA -1.492 60.890 62.300 0.136 0.000 0.811 221 V CB 1.073 32.945 31.823 0.083 0.000 1.031 221 V HN 0.584 nan 8.190 nan 0.000 0.439 222 P HA 0.557 nan 4.420 nan 0.000 0.272 222 P C 0.236 177.632 177.300 0.160 0.000 1.240 222 P CA 0.549 63.785 63.100 0.227 0.000 0.791 222 P CB 1.966 33.862 31.700 0.326 0.000 0.978 223 G N -0.209 108.535 108.800 -0.093 0.000 2.357 223 G HA2 0.135 4.097 3.960 0.003 0.000 0.289 223 G HA3 0.135 4.097 3.960 0.003 0.000 0.289 223 G C -1.752 172.779 174.900 -0.615 0.000 1.302 223 G CA -0.850 43.968 45.100 -0.469 0.000 0.936 223 G HN 0.333 nan 8.290 nan 0.000 0.513 224 Y N 0.127 120.265 120.300 -0.270 0.000 2.334 224 Y HA 0.494 5.046 4.550 0.002 0.000 0.325 224 Y C 1.870 177.741 175.900 -0.049 0.000 1.308 224 Y CA 0.906 58.907 58.100 -0.165 0.000 1.389 224 Y CB 1.096 39.467 38.460 -0.148 0.000 1.328 224 Y HN 0.732 nan 8.280 nan 0.000 0.532 225 G N 0.308 109.214 108.800 0.177 0.000 2.424 225 G HA2 -0.110 3.852 3.960 0.003 0.000 0.214 225 G HA3 -0.110 3.852 3.960 0.003 0.000 0.214 225 G C -0.957 173.997 174.900 0.090 0.000 1.202 225 G CA 0.428 45.605 45.100 0.128 0.000 0.793 225 G HN 0.520 nan 8.290 nan 0.000 0.534 226 P HA -0.016 nan 4.420 nan 0.000 0.228 226 P C 1.702 179.025 177.300 0.038 0.000 1.151 226 P CA 1.924 65.046 63.100 0.036 0.000 0.770 226 P CB 0.089 31.799 31.700 0.015 0.000 0.786 227 T N -3.912 110.681 114.554 0.066 0.000 3.535 227 T HA 0.271 4.623 4.350 0.003 0.000 0.223 227 T C 1.952 176.691 174.700 0.065 0.000 0.933 227 T CA 0.557 62.695 62.100 0.064 0.000 1.445 227 T CB -1.112 67.808 68.868 0.087 0.000 1.286 227 T HN -0.116 nan 8.240 nan 0.000 0.436 228 A N 1.653 124.518 122.820 0.074 0.000 1.898 228 A HA 0.282 4.603 4.320 0.003 0.000 0.216 228 A C 2.598 180.222 177.584 0.067 0.000 1.181 228 A CA 1.840 53.917 52.037 0.067 0.000 0.620 228 A CB -1.691 17.345 19.000 0.061 0.000 0.819 228 A HN 0.682 nan 8.150 nan 0.000 0.442 229 G N -0.465 108.378 108.800 0.071 0.000 2.421 229 G HA2 0.016 3.977 3.960 0.003 0.000 0.216 229 G HA3 0.016 3.977 3.960 0.003 0.000 0.216 229 G C 1.744 176.670 174.900 0.044 0.000 1.171 229 G CA 1.381 46.525 45.100 0.073 0.000 0.775 229 G HN 0.800 nan 8.290 nan 0.000 0.543 230 A N 1.043 123.882 122.820 0.031 0.000 1.972 230 A HA 0.304 4.626 4.320 0.003 0.000 0.219 230 A C 2.745 180.345 177.584 0.027 0.000 1.169 230 A CA 2.066 54.109 52.037 0.010 0.000 0.635 230 A CB -0.604 18.398 19.000 0.003 0.000 0.810 230 A HN 0.768 nan 8.150 nan 0.000 0.446 231 A N -0.218 122.631 122.820 0.050 0.000 2.015 231 A HA -0.007 4.315 4.320 0.003 0.000 0.219 231 A C 2.054 179.711 177.584 0.120 0.000 1.163 231 A CA 1.377 53.462 52.037 0.079 0.000 0.646 231 A CB -0.479 18.577 19.000 0.092 0.000 0.806 231 A HN 0.515 nan 8.150 nan 0.000 0.448 232 I N 0.284 120.904 120.570 0.083 0.000 2.277 232 I HA -0.189 3.983 4.170 0.003 0.000 0.243 232 I C 2.846 179.004 176.117 0.068 0.000 1.094 232 I CA 1.418 62.761 61.300 0.073 0.000 1.393 232 I CB -0.303 37.724 38.000 0.046 0.000 1.078 232 I HN 0.473 nan 8.210 nan 0.000 0.417 233 S N 0.348 116.068 115.700 0.034 0.000 2.399 233 S HA -0.139 4.333 4.470 0.003 0.000 0.231 233 S C 1.826 176.432 174.600 0.009 0.000 1.022 233 S CA 1.238 59.440 58.200 0.003 0.000 0.983 233 S CB -0.575 62.598 63.200 -0.046 0.000 0.803 233 S HN 0.515 nan 8.310 nan 0.000 0.480 234 S N -0.119 115.594 115.700 0.022 0.000 2.557 234 S HA 0.210 4.681 4.470 0.003 0.000 0.223 234 S C 0.387 174.994 174.600 0.011 0.000 0.969 234 S CA -0.707 57.495 58.200 0.003 0.000 0.927 234 S CB -0.622 62.567 63.200 -0.018 0.000 0.806 234 S HN 0.608 nan 8.310 nan 0.000 0.489 235 H N 1.962 121.022 119.070 -0.017 0.000 2.848 235 H HA 0.178 4.736 4.556 0.002 0.000 0.341 235 H C 0.967 176.286 175.328 -0.015 0.000 1.060 235 H CA 0.285 56.326 56.048 -0.013 0.000 1.444 235 H CB 0.759 30.515 29.762 -0.010 0.000 1.446 235 H HN 0.200 nan 8.280 nan 0.000 0.583 236 M N 2.947 122.457 119.600 -0.150 0.000 2.595 236 M HA -0.063 4.419 4.480 0.003 0.000 0.248 236 M C 0.680 177.046 176.300 0.110 0.000 1.119 236 M CA 0.790 56.078 55.300 -0.021 0.000 1.079 236 M CB -0.547 31.999 32.600 -0.091 0.000 1.472 236 M HN 0.504 nan 8.290 nan 0.000 0.501 237 D N -0.032 120.583 120.400 0.358 0.000 2.535 237 D HA 0.153 4.794 4.640 0.003 0.000 0.229 237 D C -0.700 175.665 176.300 0.108 0.000 1.238 237 D CA 0.115 54.246 54.000 0.220 0.000 0.824 237 D CB 0.788 41.723 40.800 0.225 0.000 1.045 237 D HN -0.114 nan 8.370 nan 0.000 0.500 238 V N 1.669 121.648 119.914 0.109 0.000 2.370 238 V HA 0.181 4.302 4.120 0.003 0.000 0.279 238 V C 0.746 176.835 176.094 -0.010 0.000 1.029 238 V CA -0.526 61.773 62.300 -0.003 0.000 0.870 238 V CB 1.749 33.570 31.823 -0.004 0.000 0.984 238 V HN 0.082 nan 8.190 nan 0.000 0.451 239 D N 3.373 123.743 120.400 -0.051 0.000 2.317 239 D HA 0.020 4.662 4.640 0.003 0.000 0.211 239 D C 0.701 176.965 176.300 -0.059 0.000 0.966 239 D CA 0.869 54.835 54.000 -0.057 0.000 0.876 239 D CB 0.704 41.447 40.800 -0.094 0.000 0.927 239 D HN 0.522 nan 8.370 nan 0.000 0.519 240 K N 0.230 120.597 120.400 -0.055 0.000 2.572 240 K HA 0.330 4.652 4.320 0.003 0.000 0.263 240 K C -2.148 174.438 176.600 -0.023 0.000 0.932 240 K CA -0.607 55.647 56.287 -0.055 0.000 0.838 240 K CB 2.870 35.316 32.500 -0.091 0.000 1.366 240 K HN -0.178 nan 8.250 nan 0.000 0.425 241 V N 2.681 122.587 119.914 -0.013 0.000 2.487 241 V HA 0.835 4.956 4.120 0.003 0.000 0.298 241 V C -1.273 174.853 176.094 0.052 0.000 1.028 241 V CA -0.246 62.070 62.300 0.027 0.000 0.860 241 V CB 1.284 33.120 31.823 0.022 0.000 0.991 241 V HN 0.872 nan 8.190 nan 0.000 0.427 242 A N 6.877 129.760 122.820 0.104 0.000 2.303 242 A HA 0.863 5.185 4.320 0.003 0.000 0.320 242 A C -1.237 176.480 177.584 0.222 0.000 1.192 242 A CA -0.463 51.658 52.037 0.141 0.000 0.821 242 A CB 0.889 19.997 19.000 0.181 0.000 1.188 242 A HN 1.180 nan 8.150 nan 0.000 0.492 243 F N 1.713 121.691 119.950 0.047 0.000 2.565 243 F HA 0.730 5.258 4.527 0.002 0.000 0.313 243 F C -0.453 175.381 175.800 0.057 0.000 1.091 243 F CA -0.072 57.956 58.000 0.046 0.000 0.915 243 F CB 2.441 41.458 39.000 0.028 0.000 1.208 243 F HN 0.426 nan 8.300 nan 0.000 0.453 244 T N 3.965 117.971 114.554 -0.912 0.000 2.937 244 T HA 0.764 5.116 4.350 0.003 0.000 0.297 244 T C -0.273 173.758 174.700 -1.115 0.000 0.991 244 T CA -0.220 61.469 62.100 -0.686 0.000 0.990 244 T CB 1.201 69.895 68.868 -0.289 0.000 0.991 244 T HN 1.140 nan 8.240 nan 0.000 0.440 245 G N 1.990 110.337 108.800 -0.754 0.000 2.512 245 G HA2 0.449 4.410 3.960 0.003 0.000 0.181 245 G HA3 0.449 4.410 3.960 0.003 0.000 0.181 245 G C -0.675 174.185 174.900 -0.066 0.000 1.173 245 G CA -0.223 44.613 45.100 -0.441 0.000 0.988 245 G HN 0.956 nan 8.290 nan 0.000 0.485 246 S N -0.256 115.507 115.700 0.105 0.000 2.592 246 S HA 0.425 4.896 4.470 0.003 0.000 0.271 246 S C 1.637 176.362 174.600 0.208 0.000 1.326 246 S CA 1.000 59.262 58.200 0.104 0.000 1.024 246 S CB 1.318 64.565 63.200 0.078 0.000 0.921 246 S HN 1.707 nan 8.310 nan 0.000 0.527 247 T N -1.462 113.190 114.554 0.164 0.000 2.915 247 T HA -0.133 4.218 4.350 0.003 0.000 0.269 247 T C 1.414 176.147 174.700 0.056 0.000 1.071 247 T CA 1.180 63.359 62.100 0.132 0.000 1.132 247 T CB -0.590 68.344 68.868 0.111 0.000 0.878 247 T HN 0.816 nan 8.240 nan 0.000 0.479 248 E N 0.850 121.080 120.200 0.050 0.000 2.051 248 E HA -0.125 4.226 4.350 0.003 0.000 0.192 248 E C 2.068 178.654 176.600 -0.022 0.000 0.991 248 E CA 1.342 57.746 56.400 0.006 0.000 0.799 248 E CB -0.148 29.563 29.700 0.019 0.000 0.748 248 E HN 0.454 nan 8.360 nan 0.000 0.449 249 V N 0.671 120.585 119.914 -0.001 0.000 2.548 249 V HA -0.091 4.031 4.120 0.003 0.000 0.249 249 V C 2.435 178.335 176.094 -0.323 0.000 1.055 249 V CA 1.536 63.758 62.300 -0.128 0.000 1.065 249 V CB -0.726 31.066 31.823 -0.051 0.000 0.681 249 V HN 0.495 nan 8.190 nan 0.000 0.462 250 G N 0.123 108.818 108.800 -0.174 0.000 2.469 250 G HA2 -0.272 3.689 3.960 0.003 0.000 0.220 250 G HA3 -0.272 3.689 3.960 0.003 0.000 0.220 250 G C 1.665 176.473 174.900 -0.154 0.000 1.136 250 G CA 0.940 45.938 45.100 -0.171 0.000 0.759 250 G HN 0.466 nan 8.290 nan 0.000 0.562 251 K N -0.147 120.189 120.400 -0.107 0.000 2.026 251 K HA 0.037 4.358 4.320 0.003 0.000 0.208 251 K C 2.531 179.061 176.600 -0.118 0.000 1.048 251 K CA 0.932 57.158 56.287 -0.101 0.000 0.929 251 K CB -0.320 32.125 32.500 -0.090 0.000 0.713 251 K HN 0.295 nan 8.250 nan 0.000 0.439 252 L N 0.947 122.087 121.223 -0.139 0.000 2.083 252 L HA -0.198 4.144 4.340 0.003 0.000 0.209 252 L C 2.338 179.114 176.870 -0.157 0.000 1.083 252 L CA 0.647 55.407 54.840 -0.134 0.000 0.752 252 L CB -0.510 41.471 42.059 -0.130 0.000 0.899 252 L HN 0.168 nan 8.230 nan 0.000 0.433 253 I N 0.378 120.806 120.570 -0.237 0.000 2.142 253 I HA -0.301 3.870 4.170 0.003 0.000 0.240 253 I C 2.584 178.621 176.117 -0.133 0.000 1.078 253 I CA 1.606 62.769 61.300 -0.227 0.000 1.343 253 I CB -0.998 36.788 38.000 -0.357 0.000 1.046 253 I HN 0.337 nan 8.210 nan 0.000 0.405 254 K N 1.017 121.348 120.400 -0.116 0.000 2.097 254 K HA -0.192 4.130 4.320 0.003 0.000 0.206 254 K C 1.959 178.516 176.600 -0.071 0.000 1.049 254 K CA 1.413 57.652 56.287 -0.079 0.000 0.933 254 K CB 0.094 32.553 32.500 -0.067 0.000 0.717 254 K HN 0.372 nan 8.250 nan 0.000 0.442 255 E N 0.013 120.167 120.200 -0.077 0.000 2.047 255 E HA -0.178 4.174 4.350 0.003 0.000 0.191 255 E C 2.025 178.590 176.600 -0.058 0.000 0.987 255 E CA 1.008 57.369 56.400 -0.065 0.000 0.799 255 E CB -0.142 29.518 29.700 -0.066 0.000 0.752 255 E HN 0.390 nan 8.360 nan 0.000 0.449 256 A N 1.724 124.505 122.820 -0.065 0.000 1.908 256 A HA -0.173 4.149 4.320 0.003 0.000 0.218 256 A C 2.430 179.988 177.584 -0.044 0.000 1.181 256 A CA 1.843 53.848 52.037 -0.053 0.000 0.627 256 A CB -0.710 18.254 19.000 -0.059 0.000 0.818 256 A HN 0.298 nan 8.150 nan 0.000 0.445 257 A N -0.707 122.084 122.820 -0.047 0.000 1.972 257 A HA 0.127 4.449 4.320 0.003 0.000 0.219 257 A C 2.347 179.909 177.584 -0.036 0.000 1.169 257 A CA 1.933 53.948 52.037 -0.038 0.000 0.635 257 A CB -1.192 17.783 19.000 -0.041 0.000 0.810 257 A HN 0.709 nan 8.150 nan 0.000 0.446 258 G N -0.437 108.338 108.800 -0.041 0.000 2.396 258 G HA2 -0.143 3.819 3.960 0.003 0.000 0.214 258 G HA3 -0.143 3.819 3.960 0.003 0.000 0.214 258 G C 1.581 176.460 174.900 -0.035 0.000 1.166 258 G CA 0.808 45.886 45.100 -0.038 0.000 0.793 258 G HN 0.557 nan 8.290 nan 0.000 0.533 259 K N 0.683 121.061 120.400 -0.036 0.000 2.442 259 K HA 0.009 4.331 4.320 0.003 0.000 0.198 259 K C 2.420 179.000 176.600 -0.033 0.000 1.042 259 K CA 1.169 57.436 56.287 -0.034 0.000 0.958 259 K CB 0.142 32.620 32.500 -0.036 0.000 0.766 259 K HN 0.495 nan 8.250 nan 0.000 0.474 260 S N 0.931 116.612 115.700 -0.032 0.000 3.037 260 S HA -0.029 4.443 4.470 0.003 0.000 0.173 260 S C 1.250 175.835 174.600 -0.025 0.000 0.681 260 S CA 0.063 58.245 58.200 -0.031 0.000 0.807 260 S CB -0.307 62.874 63.200 -0.032 0.000 0.789 260 S HN 0.239 nan 8.310 nan 0.000 0.637 261 N N 1.480 120.169 118.700 -0.018 0.000 2.184 261 N HA 0.276 5.017 4.740 0.003 0.000 0.206 261 N C 0.353 175.853 175.510 -0.016 0.000 1.151 261 N CA 0.058 53.101 53.050 -0.012 0.000 0.878 261 N CB -0.368 38.120 38.487 0.002 0.000 1.014 261 N HN 0.583 nan 8.380 nan 0.000 0.512 262 L N 0.078 121.288 121.223 -0.022 0.000 3.717 262 L HA -0.280 4.061 4.340 0.003 0.000 0.414 262 L C -0.126 176.727 176.870 -0.028 0.000 1.228 262 L CA 0.558 55.382 54.840 -0.027 0.000 0.918 262 L CB -1.625 40.418 42.059 -0.026 0.000 1.865 262 L HN 0.463 nan 8.230 nan 0.000 0.922 263 K N -0.228 120.156 120.400 -0.026 0.000 2.319 263 K HA 0.446 4.768 4.320 0.003 0.000 0.265 263 K C 0.436 177.010 176.600 -0.043 0.000 1.000 263 K CA -0.771 55.498 56.287 -0.031 0.000 0.943 263 K CB 0.536 33.024 32.500 -0.021 0.000 0.950 263 K HN -0.049 nan 8.250 nan 0.000 0.485 264 R N 0.800 121.266 120.500 -0.057 0.000 2.679 264 R HA 0.175 4.517 4.340 0.003 0.000 0.268 264 R C -0.580 175.679 176.300 -0.069 0.000 1.044 264 R CA -0.243 55.813 56.100 -0.074 0.000 1.105 264 R CB 0.607 30.844 30.300 -0.105 0.000 0.989 264 R HN 0.465 nan 8.270 nan 0.000 0.447 265 V N 1.615 121.490 119.914 -0.065 0.000 2.638 265 V HA 0.517 4.639 4.120 0.003 0.000 0.306 265 V C -0.791 175.277 176.094 -0.044 0.000 1.052 265 V CA -0.735 61.538 62.300 -0.045 0.000 0.885 265 V CB 2.027 33.828 31.823 -0.035 0.000 0.999 265 V HN 0.933 nan 8.190 nan 0.000 0.424 266 S N 5.676 121.364 115.700 -0.020 0.000 2.532 266 S HA 0.904 5.375 4.470 0.003 0.000 0.299 266 S C -1.187 173.462 174.600 0.081 0.000 1.105 266 S CA -0.724 57.474 58.200 -0.004 0.000 1.018 266 S CB 1.603 64.769 63.200 -0.057 0.000 1.021 266 S HN 0.514 nan 8.310 nan 0.000 0.483 267 L N 1.949 123.230 121.223 0.096 0.000 2.401 267 L HA 0.660 5.002 4.340 0.003 0.000 0.266 267 L C -0.692 176.261 176.870 0.138 0.000 0.991 267 L CA -0.653 54.289 54.840 0.171 0.000 0.818 267 L CB 2.235 44.396 42.059 0.171 0.000 1.321 267 L HN 0.645 nan 8.230 nan 0.000 0.413 268 E N 4.328 124.612 120.200 0.141 0.000 2.402 268 E HA 0.478 4.830 4.350 0.003 0.000 0.244 268 E C -0.940 175.715 176.600 0.091 0.000 0.945 268 E CA -0.199 56.273 56.400 0.120 0.000 0.774 268 E CB 2.157 31.950 29.700 0.155 0.000 1.296 268 E HN 0.453 nan 8.360 nan 0.000 0.414 269 L N 0.040 121.340 121.223 0.128 0.000 2.687 269 L HA 0.622 4.964 4.340 0.003 0.000 0.252 269 L C 1.481 178.427 176.870 0.125 0.000 1.115 269 L CA -0.945 53.980 54.840 0.141 0.000 0.893 269 L CB 0.257 42.439 42.059 0.205 0.000 1.670 269 L HN 0.443 nan 8.230 nan 0.000 0.531 270 G N -1.417 107.460 108.800 0.128 0.000 2.441 270 G HA2 0.492 4.453 3.960 0.003 0.000 0.258 270 G HA3 0.492 4.453 3.960 0.003 0.000 0.258 270 G C -0.238 174.602 174.900 -0.099 0.000 1.487 270 G CA 0.344 45.452 45.100 0.012 0.000 1.058 270 G HN 0.883 nan 8.290 nan 0.000 0.552 271 G N -2.479 106.003 108.800 -0.531 0.000 2.488 271 G HA2 0.485 4.447 3.960 0.003 0.000 0.301 271 G HA3 0.485 4.447 3.960 0.003 0.000 0.301 271 G C -1.454 172.974 174.900 -0.787 0.000 1.339 271 G CA -0.265 44.423 45.100 -0.685 0.000 0.803 271 G HN 0.644 nan 8.290 nan 0.000 0.482 272 K N 0.464 120.669 120.400 -0.326 0.000 3.429 272 K HA 0.410 4.732 4.320 0.003 0.000 0.166 272 K C -0.223 176.419 176.600 0.069 0.000 1.079 272 K CA -0.325 55.912 56.287 -0.084 0.000 0.750 272 K CB 0.156 32.689 32.500 0.054 0.000 0.883 272 K HN 0.479 nan 8.250 nan 0.000 0.549 273 S N 3.957 119.719 115.700 0.103 0.000 2.555 273 S HA 0.120 4.591 4.470 0.003 0.000 0.293 273 S C -2.227 172.506 174.600 0.222 0.000 1.248 273 S CA -0.502 57.818 58.200 0.200 0.000 1.096 273 S CB 0.151 63.553 63.200 0.336 0.000 0.881 273 S HN 0.381 nan 8.310 nan 0.000 0.498 274 P HA 0.255 nan 4.420 nan 0.000 0.282 274 P C -0.873 176.609 177.300 0.303 0.000 1.249 274 P CA -0.569 62.714 63.100 0.304 0.000 0.806 274 P CB 0.926 32.814 31.700 0.314 0.000 0.984 275 C N 5.568 125.040 119.300 0.287 0.000 2.455 275 C HA 0.484 4.945 4.460 0.003 0.000 0.321 275 C C 0.048 175.188 174.990 0.250 0.000 1.102 275 C CA -0.669 58.516 59.018 0.279 0.000 1.413 275 C CB -1.492 26.329 27.740 0.135 0.000 1.952 275 C HN 0.439 nan 8.230 nan 0.000 0.428 276 I N 5.996 126.679 120.570 0.188 0.000 2.352 276 I HA 0.350 4.522 4.170 0.003 0.000 0.290 276 I C -0.198 175.937 176.117 0.029 0.000 1.036 276 I CA -0.054 61.228 61.300 -0.030 0.000 1.336 276 I CB 1.164 38.950 38.000 -0.357 0.000 1.407 276 I HN 0.258 nan 8.210 nan 0.000 0.497 277 V N 7.375 127.294 119.914 0.008 0.000 2.350 277 V HA 0.359 4.480 4.120 0.003 0.000 0.285 277 V C -0.170 175.958 176.094 0.056 0.000 1.014 277 V CA -0.562 61.790 62.300 0.086 0.000 0.831 277 V CB 0.867 32.621 31.823 -0.116 0.000 1.000 277 V HN 0.362 nan 8.190 nan 0.000 0.433 278 F N 2.048 122.206 119.950 0.346 0.000 2.371 278 F HA 0.534 5.063 4.527 0.003 0.000 0.329 278 F C 1.612 177.522 175.800 0.184 0.000 1.107 278 F CA 0.034 58.211 58.000 0.296 0.000 1.137 278 F CB 1.263 40.420 39.000 0.261 0.000 1.214 278 F HN 0.529 nan 8.300 nan 0.000 0.536 279 A N 0.855 123.856 122.820 0.302 0.000 1.986 279 A HA -0.232 4.089 4.320 0.003 0.000 0.220 279 A C 1.538 179.241 177.584 0.199 0.000 1.171 279 A CA 1.966 54.118 52.037 0.190 0.000 0.640 279 A CB -1.083 17.990 19.000 0.122 0.000 0.811 279 A HN 0.822 nan 8.150 nan 0.000 0.451 280 D N -0.338 120.197 120.400 0.224 0.000 2.324 280 D HA 0.399 5.040 4.640 0.003 0.000 0.235 280 D C 0.574 176.995 176.300 0.201 0.000 1.095 280 D CA 0.492 54.596 54.000 0.174 0.000 0.871 280 D CB -0.408 40.467 40.800 0.126 0.000 0.906 280 D HN 0.439 nan 8.370 nan 0.000 0.522 281 A N 0.176 123.155 122.820 0.266 0.000 2.271 281 A HA 0.272 4.593 4.320 0.003 0.000 0.288 281 A C 0.138 177.869 177.584 0.245 0.000 1.094 281 A CA -0.667 51.547 52.037 0.295 0.000 0.828 281 A CB 0.420 19.668 19.000 0.413 0.000 1.091 281 A HN 0.175 nan 8.150 nan 0.000 0.493 282 D N 1.304 121.855 120.400 0.251 0.000 2.342 282 D HA 0.129 4.771 4.640 0.003 0.000 0.260 282 D C 1.053 177.467 176.300 0.191 0.000 1.278 282 D CA -0.001 54.117 54.000 0.197 0.000 0.910 282 D CB 0.431 41.352 40.800 0.202 0.000 1.079 282 D HN 0.464 nan 8.370 nan 0.000 0.496 283 L N 3.404 124.711 121.223 0.140 0.000 2.012 283 L HA -0.197 4.145 4.340 0.003 0.000 0.210 283 L C 1.967 178.829 176.870 -0.014 0.000 1.073 283 L CA 0.941 55.838 54.840 0.096 0.000 0.748 283 L CB -0.321 41.773 42.059 0.057 0.000 0.891 283 L HN 0.398 nan 8.230 nan 0.000 0.431 284 D N 0.036 120.428 120.400 -0.013 0.000 2.104 284 D HA -0.212 4.430 4.640 0.003 0.000 0.194 284 D C 1.891 178.175 176.300 -0.027 0.000 0.994 284 D CA 1.637 55.603 54.000 -0.057 0.000 0.830 284 D CB -0.350 40.431 40.800 -0.032 0.000 0.959 284 D HN 0.289 nan 8.370 nan 0.000 0.452 285 N N 0.903 119.651 118.700 0.080 0.000 2.069 285 N HA -0.169 4.572 4.740 0.003 0.000 0.191 285 N C 1.683 177.329 175.510 0.227 0.000 1.031 285 N CA 2.079 55.253 53.050 0.206 0.000 0.852 285 N CB -0.218 38.480 38.487 0.351 0.000 1.018 285 N HN 0.092 nan 8.380 nan 0.000 0.423 286 A N -0.068 122.797 122.820 0.075 0.000 1.883 286 A HA -0.098 4.223 4.320 0.003 0.000 0.217 286 A C 2.448 179.933 177.584 -0.164 0.000 1.186 286 A CA 1.826 53.649 52.037 -0.358 0.000 0.624 286 A CB -0.994 17.913 19.000 -0.154 0.000 0.822 286 A HN 0.193 nan 8.150 nan 0.000 0.444 287 V N -0.032 119.764 119.914 -0.197 0.000 2.343 287 V HA -0.240 3.882 4.120 0.003 0.000 0.247 287 V C 2.617 178.652 176.094 -0.098 0.000 1.051 287 V CA 2.452 64.547 62.300 -0.342 0.000 1.036 287 V CB -0.742 30.721 31.823 -0.600 0.000 0.654 287 V HN 0.695 nan 8.190 nan 0.000 0.451 288 E N 0.146 120.294 120.200 -0.087 0.000 2.047 288 E HA -0.169 4.183 4.350 0.003 0.000 0.191 288 E C 1.900 178.521 176.600 0.035 0.000 0.987 288 E CA 1.562 57.927 56.400 -0.059 0.000 0.799 288 E CB -0.399 29.195 29.700 -0.176 0.000 0.752 288 E HN 0.484 nan 8.360 nan 0.000 0.449 289 F N 0.548 120.539 119.950 0.068 0.000 2.102 289 F HA -0.056 4.473 4.527 0.003 0.000 0.298 289 F C 2.346 178.181 175.800 0.058 0.000 1.105 289 F CA 1.317 59.394 58.000 0.128 0.000 1.239 289 F CB -0.950 38.237 39.000 0.312 0.000 0.991 289 F HN 0.145 nan 8.300 nan 0.000 0.474 290 A N -1.284 121.638 122.820 0.169 0.000 1.972 290 A HA -0.254 4.068 4.320 0.003 0.000 0.219 290 A C 1.963 179.623 177.584 0.127 0.000 1.169 290 A CA 2.003 54.068 52.037 0.047 0.000 0.635 290 A CB -1.088 17.963 19.000 0.085 0.000 0.810 290 A HN 0.529 nan 8.150 nan 0.000 0.446 291 H N -0.538 118.604 119.070 0.120 0.000 2.276 291 H HA -0.064 4.494 4.556 0.003 0.000 0.301 291 H C 2.144 177.645 175.328 0.288 0.000 1.073 291 H CA 1.985 58.163 56.048 0.216 0.000 1.311 291 H CB -0.081 29.749 29.762 0.112 0.000 1.379 291 H HN 0.322 nan 8.280 nan 0.000 0.494 292 Q N -0.054 119.843 119.800 0.161 0.000 2.170 292 Q HA -0.062 4.280 4.340 0.003 0.000 0.203 292 Q C 2.567 178.652 176.000 0.141 0.000 0.976 292 Q CA 1.181 57.075 55.803 0.152 0.000 0.858 292 Q CB -0.835 28.014 28.738 0.185 0.000 0.907 292 Q HN 0.683 nan 8.270 nan 0.000 0.433 293 G N 0.029 108.884 108.800 0.092 0.000 2.462 293 G HA2 -0.115 3.847 3.960 0.003 0.000 0.220 293 G HA3 -0.115 3.847 3.960 0.003 0.000 0.220 293 G C 1.451 176.346 174.900 -0.007 0.000 1.121 293 G CA 1.158 46.272 45.100 0.024 0.000 0.758 293 G HN 0.304 nan 8.290 nan 0.000 0.559 294 V N -1.045 118.821 119.914 -0.081 0.000 2.908 294 V HA 0.254 4.375 4.120 0.003 0.000 0.240 294 V C 2.018 177.905 176.094 -0.346 0.000 1.117 294 V CA 0.368 62.529 62.300 -0.232 0.000 1.133 294 V CB -0.512 31.077 31.823 -0.390 0.000 0.857 294 V HN 0.224 nan 8.190 nan 0.000 0.478 295 F N -0.915 118.924 119.950 -0.185 0.000 2.710 295 F HA 0.210 4.738 4.527 0.003 0.000 0.298 295 F C 1.125 176.863 175.800 -0.104 0.000 1.137 295 F CA -0.408 57.452 58.000 -0.233 0.000 1.444 295 F CB -0.383 38.323 39.000 -0.490 0.000 1.111 295 F HN 0.078 nan 8.300 nan 0.000 0.580 296 Y N 1.175 121.505 120.300 0.049 0.000 2.712 296 Y HA -0.029 4.522 4.550 0.003 0.000 0.333 296 Y C 1.040 177.027 175.900 0.146 0.000 1.225 296 Y CA -0.195 57.975 58.100 0.116 0.000 1.499 296 Y CB -0.309 38.234 38.460 0.137 0.000 1.288 296 Y HN 0.247 nan 8.280 nan 0.000 0.575 297 H N 3.860 122.599 119.070 -0.552 0.000 2.677 297 H HA -0.254 4.304 4.556 0.003 0.000 0.321 297 H C 0.353 175.558 175.328 -0.206 0.000 1.171 297 H CA 0.754 56.564 56.048 -0.397 0.000 1.139 297 H CB -1.510 28.041 29.762 -0.351 0.000 1.515 297 H HN 0.800 nan 8.280 nan 0.000 0.423 298 Q N -0.690 118.987 119.800 -0.205 0.000 2.457 298 Q HA -0.184 4.157 4.340 0.003 0.000 0.283 298 Q C 1.557 177.429 176.000 -0.213 0.000 1.234 298 Q CA 2.094 57.783 55.803 -0.190 0.000 0.877 298 Q CB -1.631 26.971 28.738 -0.227 0.000 1.250 298 Q HN 1.332 nan 8.270 nan 0.000 0.481 299 G N -0.958 107.723 108.800 -0.198 0.000 2.166 299 G HA2 -0.400 3.562 3.960 0.003 0.000 0.260 299 G HA3 -0.400 3.562 3.960 0.003 0.000 0.260 299 G C 0.159 174.793 174.900 -0.442 0.000 0.986 299 G CA 0.520 45.460 45.100 -0.265 0.000 0.683 299 G HN 0.500 nan 8.290 nan 0.000 0.527 300 Q N -0.143 119.344 119.800 -0.521 0.000 3.122 300 Q HA 0.446 4.787 4.340 0.003 0.000 0.360 300 Q C 0.035 175.561 176.000 -0.789 0.000 1.300 300 Q CA -0.150 55.030 55.803 -1.039 0.000 0.982 300 Q CB 0.258 28.716 28.738 -0.465 0.000 1.534 300 Q HN 0.450 nan 8.270 nan 0.000 0.474 301 C N -0.812 118.130 119.300 -0.597 0.000 2.634 301 C HA 0.226 4.687 4.460 0.003 0.000 0.313 301 C C 2.024 177.131 174.990 0.194 0.000 1.198 301 C CA -1.080 57.955 59.018 0.027 0.000 1.605 301 C CB 0.859 28.721 27.740 0.202 0.000 2.196 301 C HN 0.880 nan 8.230 nan 0.000 0.486 302 C N 0.802 120.304 119.300 0.336 0.000 2.425 302 C HA -0.067 4.394 4.460 0.003 0.000 0.277 302 C C 1.817 176.975 174.990 0.280 0.000 1.280 302 C CA 1.077 60.303 59.018 0.348 0.000 1.744 302 C CB -1.770 26.126 27.740 0.260 0.000 1.989 302 C HN 0.860 nan 8.230 nan 0.000 0.491 303 I N 0.307 121.053 120.570 0.293 0.000 3.810 303 I HA 0.447 4.618 4.170 0.003 0.000 0.322 303 I C 1.146 177.489 176.117 0.377 0.000 1.288 303 I CA -0.142 61.376 61.300 0.363 0.000 1.143 303 I CB -0.816 37.469 38.000 0.475 0.000 1.012 303 I HN 0.203 nan 8.210 nan 0.000 0.423 304 A N 2.062 125.028 122.820 0.243 0.000 2.580 304 A HA 0.365 4.687 4.320 0.003 0.000 0.244 304 A C 1.024 178.706 177.584 0.163 0.000 1.045 304 A CA 0.516 52.648 52.037 0.159 0.000 0.761 304 A CB -0.054 18.964 19.000 0.029 0.000 0.962 304 A HN 0.699 nan 8.150 nan 0.000 0.512 305 A N 3.472 126.340 122.820 0.080 0.000 3.048 305 A HA 0.400 4.722 4.320 0.003 0.000 0.264 305 A C 1.405 178.962 177.584 -0.046 0.000 1.796 305 A CA 0.315 52.343 52.037 -0.014 0.000 1.445 305 A CB -1.019 17.747 19.000 -0.390 0.000 1.074 305 A HN 1.622 nan 8.150 nan 0.000 0.621 306 S N 0.427 116.122 115.700 -0.008 0.000 2.607 306 S HA 0.078 4.550 4.470 0.003 0.000 0.224 306 S C 0.687 175.254 174.600 -0.056 0.000 0.969 306 S CA 0.175 58.351 58.200 -0.041 0.000 0.927 306 S CB -0.028 63.162 63.200 -0.017 0.000 0.772 306 S HN 0.626 nan 8.310 nan 0.000 0.533 307 R N 0.751 121.216 120.500 -0.059 0.000 2.625 307 R HA 0.350 4.692 4.340 0.003 0.000 0.286 307 R C -1.856 174.306 176.300 -0.229 0.000 1.406 307 R CA -0.540 55.446 56.100 -0.190 0.000 1.052 307 R CB 1.245 31.472 30.300 -0.122 0.000 1.203 307 R HN 0.199 nan 8.270 nan 0.000 0.502 308 L N 4.220 125.292 121.223 -0.253 0.000 2.270 308 L HA 0.430 4.772 4.340 0.003 0.000 0.286 308 L C -1.231 175.504 176.870 -0.225 0.000 1.059 308 L CA -0.144 54.600 54.840 -0.160 0.000 0.839 308 L CB 0.067 42.075 42.059 -0.086 0.000 1.221 308 L HN 0.316 nan 8.230 nan 0.000 0.431 309 F N 4.813 124.757 119.950 -0.011 0.000 2.411 309 F HA 0.490 5.019 4.527 0.003 0.000 0.355 309 F C 0.242 176.116 175.800 0.123 0.000 1.117 309 F CA -0.379 57.661 58.000 0.066 0.000 1.139 309 F CB 1.123 40.093 39.000 -0.049 0.000 1.120 309 F HN 0.112 nan 8.300 nan 0.000 0.493 310 V N 2.935 123.025 119.914 0.293 0.000 2.604 310 V HA 0.248 4.370 4.120 0.003 0.000 0.305 310 V C -0.085 175.942 176.094 -0.111 0.000 1.043 310 V CA -1.269 61.063 62.300 0.053 0.000 0.888 310 V CB 1.751 33.481 31.823 -0.154 0.000 0.995 310 V HN 0.684 nan 8.190 nan 0.000 0.429 311 E N 2.753 122.675 120.200 -0.463 0.000 2.384 311 E HA 0.067 4.419 4.350 0.003 0.000 0.266 311 E C 0.899 177.299 176.600 -0.334 0.000 1.012 311 E CA -0.043 55.815 56.400 -0.903 0.000 0.901 311 E CB 0.724 30.002 29.700 -0.704 0.000 0.967 311 E HN 0.728 nan 8.360 nan 0.000 0.435 312 E N 1.868 121.869 120.200 -0.333 0.000 2.113 312 E HA -0.338 4.014 4.350 0.003 0.000 0.210 312 E C 1.890 178.485 176.600 -0.010 0.000 1.040 312 E CA 2.129 58.449 56.400 -0.133 0.000 0.847 312 E CB -0.195 29.420 29.700 -0.141 0.000 0.755 312 E HN 0.717 nan 8.360 nan 0.000 0.459 313 S N 1.039 116.719 115.700 -0.033 0.000 2.420 313 S HA -0.175 4.296 4.470 0.003 0.000 0.237 313 S C 1.966 176.601 174.600 0.057 0.000 1.023 313 S CA 1.551 59.762 58.200 0.017 0.000 0.991 313 S CB -0.656 62.552 63.200 0.013 0.000 0.792 313 S HN 0.514 nan 8.310 nan 0.000 0.488 314 I N -3.747 116.866 120.570 0.072 0.000 4.081 314 I HA 0.441 4.612 4.170 0.003 0.000 0.333 314 I C 1.658 177.876 176.117 0.169 0.000 1.413 314 I CA -0.700 60.672 61.300 0.120 0.000 1.110 314 I CB -0.251 37.836 38.000 0.144 0.000 1.082 314 I HN 0.038 nan 8.210 nan 0.000 0.402 315 Y N 2.900 123.210 120.300 0.016 0.000 2.089 315 Y HA -0.249 4.303 4.550 0.003 0.000 0.282 315 Y C 2.125 178.075 175.900 0.084 0.000 1.139 315 Y CA 2.170 60.286 58.100 0.027 0.000 1.123 315 Y CB -0.137 38.309 38.460 -0.024 0.000 0.980 315 Y HN 0.203 nan 8.280 nan 0.000 0.493 316 D N 0.115 120.543 120.400 0.047 0.000 2.123 316 D HA -0.242 4.400 4.640 0.003 0.000 0.196 316 D C 2.055 178.318 176.300 -0.061 0.000 0.992 316 D CA 1.779 55.745 54.000 -0.058 0.000 0.833 316 D CB -0.458 40.375 40.800 0.055 0.000 0.954 316 D HN 0.642 nan 8.370 nan 0.000 0.455 317 E N -0.271 119.934 120.200 0.008 0.000 2.077 317 E HA -0.187 4.164 4.350 0.003 0.000 0.193 317 E C 2.060 178.654 176.600 -0.010 0.000 0.989 317 E CA 0.538 56.939 56.400 0.002 0.000 0.800 317 E CB -0.195 29.523 29.700 0.029 0.000 0.746 317 E HN 0.158 nan 8.360 nan 0.000 0.452 318 F N 0.729 120.611 119.950 -0.113 0.000 2.134 318 F HA -0.182 4.346 4.527 0.003 0.000 0.299 318 F C 2.127 177.835 175.800 -0.154 0.000 1.097 318 F CA 1.125 59.056 58.000 -0.115 0.000 1.264 318 F CB -0.123 38.819 39.000 -0.096 0.000 1.001 318 F HN -0.097 nan 8.300 nan 0.000 0.479 319 V N 0.588 120.500 119.914 -0.003 0.000 2.343 319 V HA -0.307 3.815 4.120 0.003 0.000 0.247 319 V C 2.433 178.480 176.094 -0.078 0.000 1.051 319 V CA 2.102 64.353 62.300 -0.082 0.000 1.036 319 V CB -0.694 30.980 31.823 -0.249 0.000 0.654 319 V HN 0.256 nan 8.190 nan 0.000 0.451 320 R N 0.043 120.489 120.500 -0.091 0.000 2.083 320 R HA -0.161 4.180 4.340 0.003 0.000 0.237 320 R C 2.528 178.759 176.300 -0.116 0.000 1.137 320 R CA 1.741 57.789 56.100 -0.087 0.000 0.951 320 R CB -0.421 29.834 30.300 -0.075 0.000 0.851 320 R HN 0.494 nan 8.270 nan 0.000 0.434 321 R N 0.047 120.448 120.500 -0.164 0.000 2.115 321 R HA -0.009 4.333 4.340 0.003 0.000 0.230 321 R C 2.427 178.595 176.300 -0.220 0.000 1.111 321 R CA 1.312 57.281 56.100 -0.218 0.000 0.976 321 R CB -0.144 29.970 30.300 -0.310 0.000 0.870 321 R HN 0.121 nan 8.270 nan 0.000 0.445 322 S N 0.422 116.014 115.700 -0.180 0.000 2.368 322 S HA -0.079 4.393 4.470 0.003 0.000 0.224 322 S C 2.085 176.646 174.600 -0.065 0.000 1.029 322 S CA 1.104 59.255 58.200 -0.082 0.000 0.988 322 S CB -0.027 63.215 63.200 0.070 0.000 0.838 322 S HN 0.073 nan 8.310 nan 0.000 0.462 323 V N 1.660 121.536 119.914 -0.064 0.000 2.453 323 V HA -0.106 4.016 4.120 0.003 0.000 0.247 323 V C 2.514 178.548 176.094 -0.099 0.000 1.048 323 V CA 1.795 64.058 62.300 -0.062 0.000 1.049 323 V CB -0.636 31.155 31.823 -0.053 0.000 0.672 323 V HN 0.388 nan 8.190 nan 0.000 0.457 324 E N 1.268 121.396 120.200 -0.120 0.000 2.031 324 E HA -0.265 4.086 4.350 0.003 0.000 0.193 324 E C 2.252 178.749 176.600 -0.172 0.000 0.994 324 E CA 1.776 58.097 56.400 -0.131 0.000 0.800 324 E CB -0.359 29.261 29.700 -0.135 0.000 0.752 324 E HN 0.389 nan 8.360 nan 0.000 0.447 325 R N 0.209 120.565 120.500 -0.240 0.000 2.120 325 R HA 0.059 4.400 4.340 0.003 0.000 0.234 325 R C 1.962 178.042 176.300 -0.367 0.000 1.123 325 R CA 1.610 57.488 56.100 -0.370 0.000 0.975 325 R CB -0.805 29.167 30.300 -0.547 0.000 0.866 325 R HN 0.223 nan 8.270 nan 0.000 0.446 326 A N 0.171 122.831 122.820 -0.267 0.000 2.206 326 A HA -0.009 4.313 4.320 0.003 0.000 0.211 326 A C 1.330 178.876 177.584 -0.063 0.000 1.158 326 A CA 0.863 52.782 52.037 -0.196 0.000 0.761 326 A CB -0.199 18.654 19.000 -0.244 0.000 0.801 326 A HN 0.343 nan 8.150 nan 0.000 0.473 327 K N -0.041 120.319 120.400 -0.066 0.000 2.404 327 K HA 0.080 4.401 4.320 0.003 0.000 0.194 327 K C -0.032 176.546 176.600 -0.036 0.000 1.023 327 K CA 0.230 56.493 56.287 -0.040 0.000 1.094 327 K CB 0.230 32.694 32.500 -0.061 0.000 0.841 327 K HN 0.291 nan 8.250 nan 0.000 0.523 328 K N 1.123 121.489 120.400 -0.058 0.000 3.141 328 K HA 0.155 4.476 4.320 0.003 0.000 0.248 328 K C -1.171 175.203 176.600 -0.378 0.000 1.282 328 K CA -0.106 56.061 56.287 -0.199 0.000 1.251 328 K CB 0.159 32.489 32.500 -0.282 0.000 1.533 328 K HN -0.015 nan 8.250 nan 0.000 0.409 329 Y N -0.729 119.489 120.300 -0.138 0.000 2.442 329 Y HA 0.274 4.826 4.550 0.003 0.000 0.344 329 Y C -0.199 175.600 175.900 -0.169 0.000 0.976 329 Y CA -1.129 56.888 58.100 -0.138 0.000 1.040 329 Y CB 1.883 40.255 38.460 -0.147 0.000 1.228 329 Y HN -0.211 nan 8.280 nan 0.000 0.451 330 V N 5.395 125.283 119.914 -0.043 0.000 2.334 330 V HA 0.338 4.459 4.120 0.003 0.000 0.281 330 V C -0.215 175.769 176.094 -0.182 0.000 1.016 330 V CA -0.812 61.414 62.300 -0.123 0.000 0.832 330 V CB 0.675 32.443 31.823 -0.091 0.000 0.999 330 V HN 0.560 nan 8.190 nan 0.000 0.439 331 L N 4.667 125.610 121.223 -0.467 0.000 2.395 331 L HA 0.911 5.252 4.340 0.003 0.000 0.269 331 L C 0.872 177.385 176.870 -0.595 0.000 1.133 331 L CA 0.201 54.650 54.840 -0.653 0.000 0.812 331 L CB 1.007 42.223 42.059 -1.405 0.000 1.125 331 L HN 0.822 nan 8.230 nan 0.000 0.452 332 G N 1.729 110.369 108.800 -0.266 0.000 2.344 332 G HA2 -0.064 3.897 3.960 0.003 0.000 0.282 332 G HA3 -0.064 3.897 3.960 0.003 0.000 0.282 332 G C -1.556 173.474 174.900 0.217 0.000 1.281 332 G CA -0.753 44.288 45.100 -0.097 0.000 0.877 332 G HN 0.500 nan 8.290 nan 0.000 0.494 333 N N 1.925 120.730 118.700 0.175 0.000 2.468 333 N HA 0.182 4.923 4.740 0.003 0.000 0.265 333 N C -0.939 174.667 175.510 0.160 0.000 1.199 333 N CA -1.017 52.154 53.050 0.201 0.000 0.928 333 N CB 1.759 40.320 38.487 0.123 0.000 1.059 333 N HN 0.193 nan 8.380 nan 0.000 0.467 334 P HA -0.095 nan 4.420 nan 0.000 0.228 334 P C 1.079 178.469 177.300 0.150 0.000 1.151 334 P CA 0.869 64.062 63.100 0.156 0.000 0.770 334 P CB 0.434 32.227 31.700 0.155 0.000 0.786 335 L N -1.284 120.000 121.223 0.101 0.000 2.529 335 L HA 0.126 4.468 4.340 0.003 0.000 0.223 335 L C 0.933 177.796 176.870 -0.012 0.000 1.113 335 L CA 0.431 55.285 54.840 0.024 0.000 0.861 335 L CB -0.389 41.650 42.059 -0.033 0.000 1.012 335 L HN -0.159 nan 8.230 nan 0.000 0.461 336 T N 1.672 116.243 114.554 0.028 0.000 2.743 336 T HA 0.266 4.618 4.350 0.003 0.000 0.293 336 T C -2.283 172.432 174.700 0.024 0.000 0.945 336 T CA -1.141 60.967 62.100 0.012 0.000 1.030 336 T CB 1.287 70.166 68.868 0.020 0.000 0.912 336 T HN -0.145 nan 8.240 nan 0.000 0.483 337 P HA 0.176 nan 4.420 nan 0.000 0.261 337 P C 1.044 178.349 177.300 0.010 0.000 1.173 337 P CA 0.977 64.087 63.100 0.016 0.000 0.760 337 P CB 0.310 32.010 31.700 0.001 0.000 0.783 338 G N 1.228 110.033 108.800 0.009 0.000 2.308 338 G HA2 -0.233 3.729 3.960 0.003 0.000 0.221 338 G HA3 -0.233 3.729 3.960 0.003 0.000 0.221 338 G C 0.121 175.015 174.900 -0.011 0.000 1.032 338 G CA -0.168 44.927 45.100 -0.008 0.000 0.623 338 G HN 0.556 nan 8.290 nan 0.000 0.506 339 V N 2.770 122.690 119.914 0.010 0.000 2.529 339 V HA 0.423 4.544 4.120 0.003 0.000 0.292 339 V C 1.516 177.630 176.094 0.034 0.000 1.028 339 V CA 1.268 63.577 62.300 0.016 0.000 1.074 339 V CB 1.410 33.260 31.823 0.046 0.000 0.958 339 V HN 1.007 nan 8.190 nan 0.000 0.481 340 S N 3.035 118.754 115.700 0.030 0.000 2.578 340 S HA 0.276 4.747 4.470 0.003 0.000 0.231 340 S C 0.188 174.919 174.600 0.218 0.000 0.994 340 S CA -0.342 57.900 58.200 0.071 0.000 0.956 340 S CB 0.103 63.258 63.200 -0.076 0.000 0.870 340 S HN 0.789 nan 8.310 nan 0.000 0.494 341 Q N 0.061 119.956 119.800 0.159 0.000 2.331 341 Q HA 0.518 4.859 4.340 0.003 0.000 0.249 341 Q C -0.375 175.718 176.000 0.156 0.000 0.913 341 Q CA -0.475 55.411 55.803 0.138 0.000 0.874 341 Q CB 1.265 30.064 28.738 0.100 0.000 1.384 341 Q HN 0.391 nan 8.270 nan 0.000 0.427 342 G N 3.058 111.934 108.800 0.128 0.000 2.531 342 G HA2 0.662 4.623 3.960 0.003 0.000 0.281 342 G HA3 0.662 4.623 3.960 0.003 0.000 0.281 342 G C -2.548 172.310 174.900 -0.071 0.000 1.382 342 G CA -0.902 44.295 45.100 0.162 0.000 1.045 342 G HN 0.507 nan 8.290 nan 0.000 0.533 343 P HA 0.231 nan 4.420 nan 0.000 0.279 343 P C -0.881 176.195 177.300 -0.374 0.000 1.276 343 P CA -0.412 62.132 63.100 -0.926 0.000 0.801 343 P CB 1.193 32.178 31.700 -1.191 0.000 1.127 344 Q N 0.011 119.665 119.800 -0.245 0.000 2.318 344 Q HA 0.149 4.491 4.340 0.003 0.000 0.222 344 Q C 1.178 177.048 176.000 -0.216 0.000 1.003 344 Q CA -0.630 55.074 55.803 -0.165 0.000 0.936 344 Q CB 0.426 29.140 28.738 -0.041 0.000 1.204 344 Q HN 0.377 nan 8.270 nan 0.000 0.524 345 I N 0.730 121.076 120.570 -0.373 0.000 2.163 345 I HA -0.298 3.873 4.170 0.003 0.000 0.243 345 I C 0.343 176.187 176.117 -0.455 0.000 1.085 345 I CA 2.041 63.038 61.300 -0.506 0.000 1.347 345 I CB 0.064 37.336 38.000 -1.214 0.000 1.044 345 I HN 0.824 nan 8.210 nan 0.000 0.408 346 D N -3.287 116.739 120.400 -0.623 0.000 2.825 346 D HA 0.144 4.786 4.640 0.003 0.000 0.327 346 D C 0.547 176.106 176.300 -1.235 0.000 1.277 346 D CA -0.650 52.806 54.000 -0.908 0.000 0.950 346 D CB 0.376 40.846 40.800 -0.551 0.000 1.438 346 D HN -0.142 nan 8.370 nan 0.000 0.526 347 K N -0.465 119.178 120.400 -1.261 0.000 2.097 347 K HA -0.150 4.172 4.320 0.003 0.000 0.205 347 K C 1.652 178.123 176.600 -0.215 0.000 1.050 347 K CA 1.341 57.211 56.287 -0.694 0.000 0.938 347 K CB 0.043 32.358 32.500 -0.307 0.000 0.718 347 K HN 0.533 nan 8.250 nan 0.000 0.442 348 E N 0.358 120.430 120.200 -0.215 0.000 2.038 348 E HA -0.300 4.052 4.350 0.003 0.000 0.195 348 E C 2.086 178.655 176.600 -0.051 0.000 1.000 348 E CA 1.535 57.880 56.400 -0.091 0.000 0.803 348 E CB 0.003 29.654 29.700 -0.083 0.000 0.750 348 E HN 0.198 nan 8.360 nan 0.000 0.448 349 Q N -0.304 119.434 119.800 -0.104 0.000 2.084 349 Q HA -0.211 4.130 4.340 0.003 0.000 0.202 349 Q C 1.906 177.928 176.000 0.036 0.000 0.978 349 Q CA 1.911 57.702 55.803 -0.020 0.000 0.844 349 Q CB -0.631 28.043 28.738 -0.106 0.000 0.898 349 Q HN 0.520 nan 8.270 nan 0.000 0.426 350 Y N 0.918 121.134 120.300 -0.140 0.000 2.128 350 Y HA -0.204 4.348 4.550 0.003 0.000 0.284 350 Y C 1.600 177.502 175.900 0.004 0.000 1.154 350 Y CA 2.271 60.343 58.100 -0.048 0.000 1.149 350 Y CB -0.027 38.414 38.460 -0.033 0.000 0.976 350 Y HN 0.235 nan 8.280 nan 0.000 0.505 351 E N 0.026 120.245 120.200 0.033 0.000 2.274 351 E HA -0.161 4.191 4.350 0.003 0.000 0.194 351 E C 2.057 178.624 176.600 -0.055 0.000 0.996 351 E CA 0.828 57.191 56.400 -0.061 0.000 0.840 351 E CB -0.084 29.646 29.700 0.051 0.000 0.772 351 E HN 0.480 nan 8.360 nan 0.000 0.491 352 K N 1.356 121.749 120.400 -0.012 0.000 2.062 352 K HA -0.112 4.210 4.320 0.003 0.000 0.205 352 K C 2.003 178.607 176.600 0.007 0.000 1.051 352 K CA 0.899 57.193 56.287 0.013 0.000 0.941 352 K CB 0.025 32.554 32.500 0.049 0.000 0.719 352 K HN 0.048 nan 8.250 nan 0.000 0.440 353 I N 1.335 121.900 120.570 -0.007 0.000 2.252 353 I HA -0.277 3.895 4.170 0.003 0.000 0.245 353 I C 2.204 178.298 176.117 -0.039 0.000 1.102 353 I CA 0.988 62.286 61.300 -0.004 0.000 1.385 353 I CB -0.219 37.779 38.000 -0.003 0.000 1.064 353 I HN 0.162 nan 8.210 nan 0.000 0.414 354 L N 0.380 121.525 121.223 -0.129 0.000 2.046 354 L HA -0.238 4.104 4.340 0.003 0.000 0.208 354 L C 2.271 179.116 176.870 -0.042 0.000 1.077 354 L CA 1.616 56.382 54.840 -0.122 0.000 0.747 354 L CB -0.689 41.224 42.059 -0.244 0.000 0.896 354 L HN 0.293 nan 8.230 nan 0.000 0.432 355 D N 0.282 120.661 120.400 -0.035 0.000 2.144 355 D HA -0.183 4.458 4.640 0.003 0.000 0.199 355 D C 2.285 178.590 176.300 0.008 0.000 0.984 355 D CA 1.160 55.156 54.000 -0.007 0.000 0.834 355 D CB 0.059 40.857 40.800 -0.002 0.000 0.955 355 D HN 0.185 nan 8.370 nan 0.000 0.465 356 L N -0.040 121.191 121.223 0.014 0.000 2.072 356 L HA -0.055 4.287 4.340 0.003 0.000 0.205 356 L C 2.506 179.395 176.870 0.032 0.000 1.079 356 L CA 0.539 55.390 54.840 0.018 0.000 0.752 356 L CB -0.239 41.838 42.059 0.030 0.000 0.906 356 L HN 0.167 nan 8.230 nan 0.000 0.436 357 I N -0.300 120.321 120.570 0.084 0.000 2.163 357 I HA -0.302 3.869 4.170 0.003 0.000 0.243 357 I C 2.577 178.800 176.117 0.177 0.000 1.085 357 I CA 1.239 62.661 61.300 0.204 0.000 1.347 357 I CB -0.220 37.883 38.000 0.172 0.000 1.044 357 I HN 0.265 nan 8.210 nan 0.000 0.408 358 E N 1.238 121.493 120.200 0.091 0.000 2.118 358 E HA -0.221 4.131 4.350 0.003 0.000 0.195 358 E C 2.231 178.855 176.600 0.041 0.000 0.992 358 E CA 1.939 58.381 56.400 0.070 0.000 0.804 358 E CB -0.181 29.541 29.700 0.037 0.000 0.741 358 E HN 0.522 nan 8.360 nan 0.000 0.458 359 S N -1.124 114.581 115.700 0.007 0.000 2.402 359 S HA -0.035 4.436 4.470 0.003 0.000 0.229 359 S C 2.241 176.791 174.600 -0.083 0.000 1.021 359 S CA 0.941 59.125 58.200 -0.027 0.000 0.974 359 S CB -0.806 62.375 63.200 -0.031 0.000 0.800 359 S HN 0.335 nan 8.310 nan 0.000 0.484 360 G N 2.127 110.831 108.800 -0.160 0.000 2.418 360 G HA2 -0.135 3.827 3.960 0.003 0.000 0.217 360 G HA3 -0.135 3.827 3.960 0.003 0.000 0.217 360 G C 1.563 176.326 174.900 -0.228 0.000 1.158 360 G CA 0.723 45.553 45.100 -0.449 0.000 0.771 360 G HN 0.554 nan 8.290 nan 0.000 0.545 361 K N 0.543 120.972 120.400 0.049 0.000 2.026 361 K HA -0.049 4.272 4.320 0.003 0.000 0.208 361 K C 2.496 179.134 176.600 0.063 0.000 1.048 361 K CA 1.196 57.575 56.287 0.154 0.000 0.929 361 K CB -0.198 32.410 32.500 0.181 0.000 0.713 361 K HN 0.202 nan 8.250 nan 0.000 0.439 362 K N 1.107 121.526 120.400 0.030 0.000 2.280 362 K HA -0.122 4.200 4.320 0.003 0.000 0.202 362 K C 1.336 177.936 176.600 0.001 0.000 1.047 362 K CA 1.046 57.343 56.287 0.017 0.000 0.942 362 K CB 0.076 32.583 32.500 0.012 0.000 0.739 362 K HN 0.257 nan 8.250 nan 0.000 0.457 363 E N -0.416 119.769 120.200 -0.025 0.000 2.437 363 E HA 0.065 4.416 4.350 0.003 0.000 0.189 363 E C 0.536 177.121 176.600 -0.025 0.000 1.054 363 E CA 0.158 56.538 56.400 -0.032 0.000 0.874 363 E CB 0.666 30.331 29.700 -0.057 0.000 1.011 363 E HN 0.444 nan 8.360 nan 0.000 0.474 364 G N 1.333 110.131 108.800 -0.004 0.000 2.157 364 G HA2 -0.312 3.649 3.960 0.003 0.000 0.248 364 G HA3 -0.312 3.649 3.960 0.003 0.000 0.248 364 G C 0.434 175.353 174.900 0.031 0.000 0.979 364 G CA -0.034 45.078 45.100 0.020 0.000 0.650 364 G HN 0.467 nan 8.290 nan 0.000 0.529 365 A N -0.020 122.794 122.820 -0.011 0.000 2.445 365 A HA 0.563 4.884 4.320 0.003 0.000 0.242 365 A C 0.698 178.429 177.584 0.244 0.000 1.075 365 A CA 0.867 52.913 52.037 0.014 0.000 0.777 365 A CB 0.340 19.113 19.000 -0.379 0.000 1.013 365 A HN 0.661 nan 8.150 nan 0.000 0.493 366 K N 2.379 122.954 120.400 0.292 0.000 2.250 366 K HA 0.294 4.616 4.320 0.003 0.000 0.285 366 K C -0.745 176.026 176.600 0.286 0.000 1.097 366 K CA -0.498 55.940 56.287 0.252 0.000 0.913 366 K CB 0.087 32.690 32.500 0.171 0.000 1.179 366 K HN 0.560 nan 8.250 nan 0.000 0.462 367 L N 5.360 126.691 121.223 0.180 0.000 2.456 367 L HA 0.039 4.381 4.340 0.003 0.000 0.277 367 L C 0.774 177.567 176.870 -0.128 0.000 1.124 367 L CA 0.795 55.537 54.840 -0.164 0.000 0.880 367 L CB 0.508 42.490 42.059 -0.128 0.000 1.192 367 L HN 0.721 nan 8.230 nan 0.000 0.463 368 E N 3.044 123.142 120.200 -0.169 0.000 2.099 368 E HA 0.108 4.460 4.350 0.003 0.000 0.191 368 E C 0.184 176.726 176.600 -0.098 0.000 0.962 368 E CA 0.602 56.950 56.400 -0.087 0.000 0.826 368 E CB 0.141 29.813 29.700 -0.047 0.000 0.788 368 E HN 0.620 nan 8.360 nan 0.000 0.461 369 C N -0.507 118.711 119.300 -0.137 0.000 2.822 369 C HA 0.664 5.125 4.460 0.003 0.000 0.341 369 C C 1.762 176.680 174.990 -0.121 0.000 1.301 369 C CA -0.347 58.612 59.018 -0.098 0.000 1.706 369 C CB 0.815 28.519 27.740 -0.060 0.000 2.178 369 C HN 0.628 nan 8.230 nan 0.000 0.481 370 G N 0.765 109.528 108.800 -0.061 0.000 2.808 370 G HA2 0.067 4.028 3.960 0.003 0.000 0.470 370 G HA3 0.067 4.028 3.960 0.003 0.000 0.470 370 G C 1.153 176.018 174.900 -0.059 0.000 1.041 370 G CA 1.769 46.849 45.100 -0.032 0.000 0.839 370 G HN 2.611 nan 8.290 nan 0.000 0.825 371 G N -2.183 106.585 108.800 -0.053 0.000 2.134 371 G HA2 0.441 4.403 3.960 0.003 0.000 0.209 371 G HA3 0.441 4.403 3.960 0.003 0.000 0.209 371 G C 0.941 175.855 174.900 0.022 0.000 0.993 371 G CA 0.825 45.897 45.100 -0.048 0.000 0.669 371 G HN 2.442 nan 8.290 nan 0.000 0.519 372 G N -0.923 107.905 108.800 0.047 0.000 2.600 372 G HA2 0.849 4.811 3.960 0.003 0.000 0.293 372 G HA3 0.849 4.811 3.960 0.003 0.000 0.293 372 G C -3.018 171.957 174.900 0.125 0.000 1.408 372 G CA -0.102 45.039 45.100 0.070 0.000 0.782 372 G HN 0.301 nan 8.290 nan 0.000 0.482 373 P HA 0.377 nan 4.420 nan 0.000 0.277 373 P C -1.419 176.102 177.300 0.370 0.000 1.276 373 P CA -0.257 63.023 63.100 0.301 0.000 0.788 373 P CB 1.540 33.442 31.700 0.337 0.000 1.114 374 W N -1.168 120.258 121.300 0.210 0.000 3.372 374 W HA 0.463 5.124 4.660 0.003 0.000 0.315 374 W C -0.461 176.109 176.519 0.084 0.000 1.223 374 W CA 0.969 58.385 57.345 0.118 0.000 1.202 374 W CB 1.635 31.156 29.460 0.103 0.000 1.367 374 W HN 0.983 nan 8.180 nan 0.000 0.531 375 G N 3.661 111.878 108.800 -0.972 0.000 2.782 375 G HA2 -0.247 3.714 3.960 0.003 0.000 0.228 375 G HA3 -0.247 3.714 3.960 0.003 0.000 0.228 375 G C 0.138 174.805 174.900 -0.388 0.000 1.372 375 G CA 0.146 44.668 45.100 -0.964 0.000 0.862 375 G HN 1.266 nan 8.290 nan 0.000 0.547 376 N N -1.313 117.193 118.700 -0.324 0.000 2.168 376 N HA 0.349 5.090 4.740 0.003 0.000 0.216 376 N C 0.590 175.999 175.510 -0.169 0.000 1.259 376 N CA 0.899 53.830 53.050 -0.199 0.000 0.902 376 N CB 0.865 39.242 38.487 -0.183 0.000 1.079 376 N HN 1.351 nan 8.380 nan 0.000 0.507 377 K N 1.146 121.454 120.400 -0.153 0.000 2.483 377 K HA 0.693 5.015 4.320 0.003 0.000 0.256 377 K C 0.439 177.035 176.600 -0.007 0.000 0.961 377 K CA -0.085 56.133 56.287 -0.113 0.000 0.873 377 K CB 0.745 33.198 32.500 -0.078 0.000 1.107 377 K HN 0.576 nan 8.250 nan 0.000 0.432 378 G N 0.668 109.330 108.800 -0.229 0.000 2.555 378 G HA2 0.001 3.962 3.960 0.003 0.000 0.686 378 G HA3 0.001 3.962 3.960 0.003 0.000 0.686 378 G C -0.909 173.668 174.900 -0.538 0.000 1.275 378 G CA -0.636 44.277 45.100 -0.312 0.000 0.871 378 G HN 1.041 nan 8.290 nan 0.000 0.603 379 Y N 0.247 120.361 120.300 -0.309 0.000 2.888 379 Y HA 0.605 5.157 4.550 0.002 0.000 0.341 379 Y C 0.544 176.313 175.900 -0.218 0.000 1.241 379 Y CA -0.871 56.980 58.100 -0.415 0.000 1.440 379 Y CB -0.019 38.196 38.460 -0.409 0.000 1.517 379 Y HN 0.405 nan 8.280 nan 0.000 0.518 380 F N 1.888 121.974 119.950 0.226 0.000 2.399 380 F HA 0.658 5.186 4.527 0.003 0.000 0.328 380 F C 0.193 176.243 175.800 0.417 0.000 1.084 380 F CA -1.203 56.997 58.000 0.332 0.000 1.053 380 F CB 1.116 40.399 39.000 0.472 0.000 1.209 380 F HN 0.030 nan 8.300 nan 0.000 0.502 381 I N 1.119 121.953 120.570 0.441 0.000 2.619 381 I HA 0.213 4.384 4.170 0.003 0.000 0.292 381 I C -0.888 175.346 176.117 0.195 0.000 1.100 381 I CA -0.990 60.492 61.300 0.303 0.000 1.043 381 I CB 2.283 40.393 38.000 0.184 0.000 1.239 381 I HN 0.508 nan 8.210 nan 0.000 0.420 382 Q N 5.463 125.363 119.800 0.167 0.000 2.364 382 Q HA 0.187 4.529 4.340 0.003 0.000 0.267 382 Q C -2.331 173.700 176.000 0.051 0.000 0.999 382 Q CA -1.531 54.316 55.803 0.074 0.000 0.886 382 Q CB 0.080 28.869 28.738 0.086 0.000 1.243 382 Q HN 0.238 nan 8.270 nan 0.000 0.415 383 P HA -0.024 nan 4.420 nan 0.000 0.264 383 P C -1.075 176.289 177.300 0.107 0.000 1.229 383 P CA 0.475 63.611 63.100 0.060 0.000 0.780 383 P CB 0.476 32.030 31.700 -0.242 0.000 0.808 384 T N 2.995 117.663 114.554 0.190 0.000 2.867 384 T HA 0.484 4.836 4.350 0.003 0.000 0.282 384 T C -0.116 174.644 174.700 0.100 0.000 1.000 384 T CA -0.397 61.728 62.100 0.042 0.000 1.042 384 T CB 0.945 69.789 68.868 -0.039 0.000 0.973 384 T HN -0.045 nan 8.240 nan 0.000 0.465 385 V N 3.275 123.148 119.914 -0.067 0.000 2.709 385 V HA 0.609 4.731 4.120 0.003 0.000 0.308 385 V C -1.288 174.704 176.094 -0.170 0.000 1.062 385 V CA -0.862 61.445 62.300 0.012 0.000 0.901 385 V CB 1.736 33.607 31.823 0.081 0.000 1.003 385 V HN 0.790 nan 8.190 nan 0.000 0.425 386 F N 2.319 122.305 119.950 0.061 0.000 2.529 386 F HA 0.708 5.236 4.527 0.003 0.000 0.320 386 F C 0.496 176.325 175.800 0.048 0.000 1.118 386 F CA -0.323 57.704 58.000 0.045 0.000 0.915 386 F CB 2.475 41.493 39.000 0.029 0.000 1.161 386 F HN 0.561 nan 8.300 nan 0.000 0.445 387 S N 0.422 116.287 115.700 0.275 0.000 2.739 387 S HA 0.535 5.007 4.470 0.003 0.000 0.306 387 S C -0.779 173.964 174.600 0.238 0.000 1.115 387 S CA -0.790 57.543 58.200 0.222 0.000 0.985 387 S CB 1.597 64.884 63.200 0.144 0.000 1.133 387 S HN 0.636 nan 8.310 nan 0.000 0.541 388 D N -0.410 120.168 120.400 0.295 0.000 2.708 388 D HA -0.105 4.536 4.640 0.003 0.000 0.236 388 D C -0.607 175.746 176.300 0.089 0.000 1.146 388 D CA 0.580 54.684 54.000 0.174 0.000 0.662 388 D CB -1.811 39.079 40.800 0.150 0.000 1.059 388 D HN 0.444 nan 8.370 nan 0.000 0.428 389 V N 0.641 120.596 119.914 0.069 0.000 2.498 389 V HA 0.402 4.523 4.120 0.003 0.000 0.279 389 V C 1.239 177.320 176.094 -0.022 0.000 1.048 389 V CA -0.073 62.223 62.300 -0.007 0.000 0.967 389 V CB 1.642 33.442 31.823 -0.038 0.000 0.988 389 V HN 0.351 nan 8.190 nan 0.000 0.473 390 T N -0.092 114.447 114.554 -0.025 0.000 2.929 390 T HA 0.309 4.660 4.350 0.003 0.000 0.284 390 T C 0.620 175.321 174.700 0.001 0.000 1.014 390 T CA -0.754 61.344 62.100 -0.003 0.000 1.051 390 T CB 1.505 70.374 68.868 0.001 0.000 1.028 390 T HN 0.528 nan 8.240 nan 0.000 0.485 391 D N 1.248 121.671 120.400 0.038 0.000 2.190 391 D HA -0.126 4.516 4.640 0.003 0.000 0.200 391 D C 1.606 177.926 176.300 0.033 0.000 0.992 391 D CA 1.884 55.919 54.000 0.057 0.000 0.854 391 D CB -0.390 40.463 40.800 0.089 0.000 0.936 391 D HN 0.935 nan 8.370 nan 0.000 0.462 392 D N -0.951 119.460 120.400 0.019 0.000 2.317 392 D HA -0.090 4.552 4.640 0.003 0.000 0.211 392 D C 0.709 177.009 176.300 -0.000 0.000 0.966 392 D CA 0.196 54.203 54.000 0.012 0.000 0.876 392 D CB -0.196 40.609 40.800 0.009 0.000 0.927 392 D HN 0.111 nan 8.370 nan 0.000 0.519 393 M N 0.678 120.267 119.600 -0.017 0.000 2.252 393 M HA 0.101 4.583 4.480 0.003 0.000 0.333 393 M C 1.556 177.836 176.300 -0.035 0.000 1.111 393 M CA -0.167 55.107 55.300 -0.044 0.000 1.140 393 M CB 1.144 33.692 32.600 -0.087 0.000 1.538 393 M HN -0.046 nan 8.290 nan 0.000 0.448 394 R N 2.670 123.146 120.500 -0.041 0.000 2.096 394 R HA -0.147 4.195 4.340 0.003 0.000 0.235 394 R C 1.748 178.032 176.300 -0.026 0.000 1.127 394 R CA 1.780 57.867 56.100 -0.021 0.000 0.968 394 R CB -0.376 29.910 30.300 -0.022 0.000 0.861 394 R HN 0.859 nan 8.270 nan 0.000 0.440 395 I N -2.659 117.862 120.570 -0.081 0.000 3.001 395 I HA 0.103 4.274 4.170 0.003 0.000 0.268 395 I C 1.630 177.715 176.117 -0.054 0.000 1.267 395 I CA 1.209 62.458 61.300 -0.085 0.000 1.472 395 I CB -0.061 37.819 38.000 -0.201 0.000 1.089 395 I HN 0.048 nan 8.210 nan 0.000 0.468 396 A N 1.065 123.858 122.820 -0.045 0.000 2.267 396 A HA 0.205 4.526 4.320 0.003 0.000 0.213 396 A C 2.099 179.705 177.584 0.037 0.000 1.192 396 A CA 0.109 52.132 52.037 -0.023 0.000 0.851 396 A CB -0.035 18.943 19.000 -0.038 0.000 0.881 396 A HN 0.428 nan 8.150 nan 0.000 0.494 397 K N -0.135 120.299 120.400 0.057 0.000 2.344 397 K HA 0.150 4.472 4.320 0.003 0.000 0.200 397 K C -0.102 176.604 176.600 0.176 0.000 1.132 397 K CA 0.267 56.622 56.287 0.114 0.000 0.935 397 K CB 0.392 32.946 32.500 0.090 0.000 1.089 397 K HN 0.424 nan 8.250 nan 0.000 0.496 398 E N 1.968 122.248 120.200 0.134 0.000 2.277 398 E HA 0.073 4.425 4.350 0.003 0.000 0.274 398 E C -0.870 175.810 176.600 0.133 0.000 1.022 398 E CA -0.327 56.173 56.400 0.167 0.000 0.853 398 E CB 1.426 31.194 29.700 0.112 0.000 1.086 398 E HN 0.077 nan 8.360 nan 0.000 0.397 399 E N 3.027 123.313 120.200 0.142 0.000 2.265 399 E HA -0.009 4.343 4.350 0.003 0.000 0.272 399 E C 0.313 176.988 176.600 0.125 0.000 1.067 399 E CA -0.058 56.385 56.400 0.072 0.000 0.900 399 E CB 0.371 30.066 29.700 -0.008 0.000 1.017 399 E HN 0.532 nan 8.360 nan 0.000 0.431 400 I N 4.362 125.009 120.570 0.128 0.000 2.277 400 I HA -0.110 4.062 4.170 0.003 0.000 0.243 400 I C 0.565 176.834 176.117 0.253 0.000 1.094 400 I CA 0.233 61.615 61.300 0.136 0.000 1.393 400 I CB -0.022 38.021 38.000 0.073 0.000 1.078 400 I HN 0.678 nan 8.210 nan 0.000 0.417 401 F N 1.564 121.523 119.950 0.016 0.000 3.040 401 F HA -0.135 4.393 4.527 0.003 0.000 0.298 401 F C 0.309 176.135 175.800 0.044 0.000 0.948 401 F CA 0.617 58.645 58.000 0.048 0.000 1.022 401 F CB -1.313 37.752 39.000 0.109 0.000 1.023 401 F HN 0.172 nan 8.300 nan 0.000 0.742 402 G N -0.048 108.744 108.800 -0.013 0.000 2.660 402 G HA2 0.612 4.574 3.960 0.003 0.000 0.290 402 G HA3 0.612 4.574 3.960 0.003 0.000 0.290 402 G C -3.074 171.744 174.900 -0.137 0.000 1.432 402 G CA -0.874 44.198 45.100 -0.048 0.000 0.807 402 G HN -0.106 nan 8.290 nan 0.000 0.485 403 P HA 0.238 nan 4.420 nan 0.000 0.244 403 P C -0.632 176.567 177.300 -0.168 0.000 1.723 403 P CA 0.103 63.107 63.100 -0.160 0.000 1.110 403 P CB 0.170 31.921 31.700 0.086 0.000 1.972 404 V N 2.705 122.427 119.914 -0.320 0.000 2.524 404 V HA 0.293 4.414 4.120 0.003 0.000 0.297 404 V C 0.057 176.015 176.094 -0.226 0.000 1.035 404 V CA -0.615 61.601 62.300 -0.139 0.000 0.867 404 V CB 2.134 33.977 31.823 0.033 0.000 1.004 404 V HN 0.284 nan 8.190 nan 0.000 0.426 405 Q N 3.080 122.802 119.800 -0.130 0.000 2.256 405 Q HA 0.624 4.966 4.340 0.003 0.000 0.257 405 Q C -1.145 174.908 176.000 0.088 0.000 0.936 405 Q CA -0.766 54.993 55.803 -0.073 0.000 0.903 405 Q CB 1.883 30.646 28.738 0.043 0.000 1.263 405 Q HN 0.691 nan 8.270 nan 0.000 0.440 406 Q N 3.003 122.822 119.800 0.031 0.000 2.307 406 Q HA 0.543 4.884 4.340 0.003 0.000 0.262 406 Q C -1.104 174.894 176.000 -0.004 0.000 0.961 406 Q CA -0.058 55.768 55.803 0.039 0.000 0.882 406 Q CB 1.910 30.624 28.738 -0.041 0.000 1.264 406 Q HN 0.596 nan 8.270 nan 0.000 0.446 407 I N 3.300 123.900 120.570 0.051 0.000 2.418 407 I HA 0.431 4.603 4.170 0.003 0.000 0.287 407 I C -0.765 175.420 176.117 0.113 0.000 1.008 407 I CA -0.752 60.582 61.300 0.056 0.000 1.104 407 I CB 1.276 39.335 38.000 0.098 0.000 1.264 407 I HN 0.446 nan 8.210 nan 0.000 0.438 408 M N 5.527 125.133 119.600 0.009 0.000 2.777 408 M HA 0.504 4.986 4.480 0.003 0.000 0.307 408 M C -0.473 175.882 176.300 0.091 0.000 1.228 408 M CA -0.456 54.843 55.300 -0.002 0.000 0.871 408 M CB 1.740 34.187 32.600 -0.256 0.000 1.721 408 M HN 0.280 nan 8.290 nan 0.000 0.487 409 K N 0.870 121.219 120.400 -0.086 0.000 2.259 409 K HA 0.743 5.064 4.320 0.003 0.000 0.252 409 K C -1.877 174.771 176.600 0.080 0.000 0.936 409 K CA -0.517 55.613 56.287 -0.262 0.000 0.810 409 K CB 1.385 33.449 32.500 -0.728 0.000 1.143 409 K HN 0.597 nan 8.250 nan 0.000 0.427 410 F N 0.765 120.694 119.950 -0.035 0.000 2.613 410 F HA 0.652 5.181 4.527 0.003 0.000 0.310 410 F C 0.055 175.850 175.800 -0.009 0.000 1.085 410 F CA -0.619 57.380 58.000 -0.000 0.000 0.945 410 F CB 1.297 40.307 39.000 0.017 0.000 1.298 410 F HN 0.530 nan 8.300 nan 0.000 0.455 411 K N 0.925 121.416 120.400 0.152 0.000 2.309 411 K HA 0.513 4.835 4.320 0.003 0.000 0.210 411 K C 0.697 177.427 176.600 0.217 0.000 1.114 411 K CA 0.897 57.210 56.287 0.044 0.000 0.912 411 K CB -0.870 31.650 32.500 0.033 0.000 1.198 411 K HN 1.024 nan 8.250 nan 0.000 0.471 412 S N -0.106 115.756 115.700 0.269 0.000 2.617 412 S HA 0.443 4.915 4.470 0.003 0.000 0.283 412 S C 1.054 175.822 174.600 0.280 0.000 1.189 412 S CA -0.245 58.097 58.200 0.236 0.000 1.036 412 S CB 1.532 64.804 63.200 0.120 0.000 1.014 412 S HN 0.408 nan 8.310 nan 0.000 0.522 413 L N 1.118 122.484 121.223 0.239 0.000 2.083 413 L HA -0.017 4.324 4.340 0.003 0.000 0.209 413 L C 1.617 178.514 176.870 0.045 0.000 1.083 413 L CA 2.019 56.976 54.840 0.196 0.000 0.752 413 L CB -0.973 41.171 42.059 0.142 0.000 0.899 413 L HN 0.782 nan 8.230 nan 0.000 0.433 414 D N -0.324 120.094 120.400 0.030 0.000 2.123 414 D HA -0.191 4.451 4.640 0.003 0.000 0.200 414 D C 1.790 178.061 176.300 -0.048 0.000 0.976 414 D CA 1.497 55.488 54.000 -0.015 0.000 0.831 414 D CB -0.394 40.403 40.800 -0.005 0.000 0.974 414 D HN 0.621 nan 8.370 nan 0.000 0.469 415 D N 1.144 121.529 120.400 -0.025 0.000 2.178 415 D HA -0.117 4.524 4.640 0.003 0.000 0.202 415 D C 2.098 178.308 176.300 -0.151 0.000 0.974 415 D CA 0.485 54.454 54.000 -0.052 0.000 0.841 415 D CB -0.282 40.519 40.800 0.003 0.000 0.953 415 D HN 0.074 nan 8.370 nan 0.000 0.478 416 V N 0.761 120.535 119.914 -0.233 0.000 2.515 416 V HA -0.134 3.988 4.120 0.003 0.000 0.250 416 V C 2.504 178.261 176.094 -0.561 0.000 1.058 416 V CA 0.840 62.802 62.300 -0.564 0.000 1.064 416 V CB -0.348 30.826 31.823 -1.082 0.000 0.675 416 V HN 0.185 nan 8.190 nan 0.000 0.461 417 I N 0.527 120.896 120.570 -0.335 0.000 2.315 417 I HA -0.149 4.023 4.170 0.003 0.000 0.248 417 I C 2.892 178.878 176.117 -0.219 0.000 1.117 417 I CA 1.648 62.796 61.300 -0.253 0.000 1.404 417 I CB -0.751 37.164 38.000 -0.142 0.000 1.071 417 I HN 0.390 nan 8.210 nan 0.000 0.419 418 K N 1.321 121.613 120.400 -0.179 0.000 2.057 418 K HA -0.150 4.172 4.320 0.003 0.000 0.207 418 K C 2.136 178.645 176.600 -0.151 0.000 1.049 418 K CA 1.501 57.708 56.287 -0.134 0.000 0.931 418 K CB -0.890 31.552 32.500 -0.095 0.000 0.714 418 K HN 0.362 nan 8.250 nan 0.000 0.440 419 R N -0.375 119.998 120.500 -0.212 0.000 2.092 419 R HA 0.092 4.433 4.340 0.003 0.000 0.231 419 R C 2.802 178.976 176.300 -0.210 0.000 1.119 419 R CA 1.062 57.050 56.100 -0.187 0.000 0.970 419 R CB -0.361 29.808 30.300 -0.219 0.000 0.864 419 R HN 0.472 nan 8.270 nan 0.000 0.440 420 A N 1.386 123.965 122.820 -0.402 0.000 1.969 420 A HA -0.123 4.199 4.320 0.003 0.000 0.218 420 A C 1.502 179.030 177.584 -0.093 0.000 1.169 420 A CA 1.334 53.214 52.037 -0.262 0.000 0.635 420 A CB -0.209 18.583 19.000 -0.347 0.000 0.810 420 A HN 0.218 nan 8.150 nan 0.000 0.445 421 N N -0.032 118.598 118.700 -0.117 0.000 2.353 421 N HA -0.032 4.710 4.740 0.003 0.000 0.185 421 N C 0.240 175.704 175.510 -0.076 0.000 1.098 421 N CA 0.235 53.237 53.050 -0.080 0.000 0.872 421 N CB -0.360 38.075 38.487 -0.088 0.000 0.970 421 N HN 0.440 nan 8.380 nan 0.000 0.467 422 N N 1.096 119.752 118.700 -0.074 0.000 2.895 422 N HA 0.035 4.777 4.740 0.003 0.000 0.277 422 N C -1.129 174.334 175.510 -0.077 0.000 1.185 422 N CA 0.220 53.215 53.050 -0.092 0.000 1.106 422 N CB -0.150 38.295 38.487 -0.069 0.000 1.422 422 N HN -0.046 nan 8.380 nan 0.000 0.521 423 T N 0.488 114.968 114.554 -0.124 0.000 2.827 423 T HA 0.244 4.595 4.350 0.003 0.000 0.328 423 T C -0.160 174.440 174.700 -0.167 0.000 1.598 423 T CA -0.540 61.514 62.100 -0.076 0.000 1.043 423 T CB -0.262 68.676 68.868 0.116 0.000 1.447 423 T HN 0.033 nan 8.240 nan 0.000 0.491 424 F N 1.373 121.286 119.950 -0.062 0.000 2.780 424 F HA 0.371 4.899 4.527 0.003 0.000 0.299 424 F C 0.592 176.315 175.800 -0.129 0.000 1.146 424 F CA -0.095 57.826 58.000 -0.132 0.000 1.428 424 F CB -0.032 38.830 39.000 -0.229 0.000 1.115 424 F HN 0.475 nan 8.300 nan 0.000 0.583 425 Y N -0.254 120.151 120.300 0.177 0.000 2.344 425 Y HA 0.554 5.105 4.550 0.003 0.000 0.330 425 Y C 1.161 177.115 175.900 0.089 0.000 1.330 425 Y CA -0.884 57.295 58.100 0.130 0.000 1.479 425 Y CB 0.694 39.223 38.460 0.115 0.000 1.428 425 Y HN -0.148 nan 8.280 nan 0.000 0.544 426 G N 0.115 109.081 108.800 0.276 0.000 4.665 426 G HA2 0.032 3.994 3.960 0.003 0.000 0.227 426 G HA3 0.032 3.994 3.960 0.003 0.000 0.227 426 G C -0.027 174.898 174.900 0.041 0.000 2.385 426 G CA -0.318 44.851 45.100 0.115 0.000 0.869 426 G HN 0.511 nan 8.290 nan 0.000 0.344 427 L N 1.250 122.502 121.223 0.048 0.000 2.044 427 L HA 0.471 4.813 4.340 0.003 0.000 0.205 427 L C 1.247 178.021 176.870 -0.161 0.000 1.075 427 L CA 2.522 57.333 54.840 -0.048 0.000 0.747 427 L CB -0.165 41.906 42.059 0.019 0.000 0.903 427 L HN 0.618 nan 8.230 nan 0.000 0.435 428 S N -2.378 113.274 115.700 -0.079 0.000 2.643 428 S HA 0.876 5.348 4.470 0.003 0.000 0.270 428 S C -0.852 173.739 174.600 -0.015 0.000 1.166 428 S CA -0.367 57.734 58.200 -0.165 0.000 0.815 428 S CB 1.336 64.453 63.200 -0.140 0.000 1.139 428 S HN 0.614 nan 8.310 nan 0.000 0.472 429 A N -0.483 122.312 122.820 -0.041 0.000 2.601 429 A HA 0.932 5.254 4.320 0.003 0.000 0.291 429 A C -0.366 177.406 177.584 0.313 0.000 1.075 429 A CA -0.399 51.741 52.037 0.173 0.000 0.671 429 A CB 0.917 19.927 19.000 0.017 0.000 1.277 429 A HN 2.001 nan 8.150 nan 0.000 0.417 430 G N -0.190 108.902 108.800 0.487 0.000 2.591 430 G HA2 0.639 4.601 3.960 0.003 0.000 0.306 430 G HA3 0.639 4.601 3.960 0.003 0.000 0.306 430 G C -1.258 173.776 174.900 0.224 0.000 1.334 430 G CA -0.451 44.940 45.100 0.484 0.000 0.981 430 G HN 0.693 nan 8.290 nan 0.000 0.491 431 I N 0.920 121.476 120.570 -0.024 0.000 2.466 431 I HA 0.403 4.575 4.170 0.003 0.000 0.289 431 I C -1.276 174.704 176.117 -0.229 0.000 1.026 431 I CA -0.620 60.691 61.300 0.019 0.000 1.078 431 I CB 2.257 40.307 38.000 0.082 0.000 1.249 431 I HN 0.268 nan 8.210 nan 0.000 0.429 432 F N 4.048 124.147 119.950 0.249 0.000 2.403 432 F HA 0.641 5.169 4.527 0.003 0.000 0.355 432 F C 0.308 176.330 175.800 0.371 0.000 1.119 432 F CA -0.499 57.658 58.000 0.262 0.000 1.007 432 F CB 1.997 41.141 39.000 0.240 0.000 1.194 432 F HN 0.310 nan 8.300 nan 0.000 0.443 433 T N 1.396 116.178 114.554 0.379 0.000 2.827 433 T HA 0.217 4.569 4.350 0.003 0.000 0.328 433 T C -0.333 174.472 174.700 0.176 0.000 1.598 433 T CA -0.729 61.561 62.100 0.315 0.000 1.043 433 T CB 1.018 70.029 68.868 0.238 0.000 1.447 433 T HN 0.750 nan 8.240 nan 0.000 0.491 434 N N 1.018 119.798 118.700 0.134 0.000 2.203 434 N HA 0.169 4.911 4.740 0.003 0.000 0.207 434 N C -0.472 175.065 175.510 0.045 0.000 1.130 434 N CA -0.563 52.542 53.050 0.092 0.000 0.861 434 N CB 0.446 38.992 38.487 0.098 0.000 1.005 434 N HN 0.369 nan 8.380 nan 0.000 0.507 435 D N 1.168 121.576 120.400 0.014 0.000 2.316 435 D HA 0.194 4.836 4.640 0.003 0.000 0.245 435 D C 1.180 177.461 176.300 -0.032 0.000 1.171 435 D CA -0.493 53.491 54.000 -0.027 0.000 0.856 435 D CB 1.017 41.766 40.800 -0.086 0.000 1.090 435 D HN 0.102 nan 8.370 nan 0.000 0.476 436 I N 2.607 123.165 120.570 -0.019 0.000 2.208 436 I HA -0.265 3.907 4.170 0.003 0.000 0.245 436 I C 1.666 177.763 176.117 -0.033 0.000 1.097 436 I CA 1.143 62.432 61.300 -0.018 0.000 1.363 436 I CB -0.099 37.895 38.000 -0.010 0.000 1.051 436 I HN 0.480 nan 8.210 nan 0.000 0.413 437 D N 0.899 121.273 120.400 -0.045 0.000 2.097 437 D HA -0.166 4.475 4.640 0.003 0.000 0.197 437 D C 2.198 178.453 176.300 -0.076 0.000 0.984 437 D CA 1.315 55.283 54.000 -0.053 0.000 0.826 437 D CB 0.123 40.891 40.800 -0.053 0.000 0.973 437 D HN 0.148 nan 8.370 nan 0.000 0.460 438 K N 0.063 120.391 120.400 -0.120 0.000 2.147 438 K HA -0.060 4.261 4.320 0.003 0.000 0.205 438 K C 2.144 178.693 176.600 -0.086 0.000 1.049 438 K CA 0.897 57.082 56.287 -0.170 0.000 0.936 438 K CB -0.104 32.163 32.500 -0.388 0.000 0.722 438 K HN 0.114 nan 8.250 nan 0.000 0.446 439 A N 1.717 124.504 122.820 -0.056 0.000 1.865 439 A HA -0.178 4.143 4.320 0.003 0.000 0.217 439 A C 2.137 179.702 177.584 -0.030 0.000 1.191 439 A CA 1.449 53.472 52.037 -0.024 0.000 0.623 439 A CB -0.556 18.434 19.000 -0.017 0.000 0.826 439 A HN 0.158 nan 8.150 nan 0.000 0.444 440 I N -0.291 120.258 120.570 -0.034 0.000 2.206 440 I HA -0.182 3.989 4.170 0.003 0.000 0.239 440 I C 2.913 179.008 176.117 -0.036 0.000 1.078 440 I CA 1.783 63.063 61.300 -0.033 0.000 1.367 440 I CB -0.750 37.234 38.000 -0.027 0.000 1.078 440 I HN 0.535 nan 8.210 nan 0.000 0.413 441 T N -1.025 113.505 114.554 -0.040 0.000 2.821 441 T HA -0.077 4.275 4.350 0.003 0.000 0.267 441 T C 1.831 176.507 174.700 -0.039 0.000 1.046 441 T CA 1.121 63.198 62.100 -0.039 0.000 1.139 441 T CB -0.862 67.981 68.868 -0.042 0.000 0.871 441 T HN 0.116 nan 8.240 nan 0.000 0.454 442 V N 2.800 122.693 119.914 -0.036 0.000 2.427 442 V HA -0.130 3.991 4.120 0.003 0.000 0.248 442 V C 3.203 179.276 176.094 -0.034 0.000 1.051 442 V CA 1.878 64.167 62.300 -0.018 0.000 1.048 442 V CB -0.945 30.902 31.823 0.040 0.000 0.666 442 V HN 0.789 nan 8.190 nan 0.000 0.456 443 S N -0.372 115.303 115.700 -0.041 0.000 2.423 443 S HA -0.161 4.311 4.470 0.003 0.000 0.231 443 S C 2.000 176.546 174.600 -0.089 0.000 1.014 443 S CA 1.556 59.712 58.200 -0.073 0.000 0.965 443 S CB -0.418 62.737 63.200 -0.075 0.000 0.785 443 S HN 0.492 nan 8.310 nan 0.000 0.495 444 S N 2.003 117.666 115.700 -0.063 0.000 2.406 444 S HA 0.245 4.716 4.470 0.003 0.000 0.228 444 S C 2.194 176.762 174.600 -0.054 0.000 1.020 444 S CA 0.818 58.987 58.200 -0.052 0.000 0.965 444 S CB -0.536 62.644 63.200 -0.034 0.000 0.798 444 S HN 0.776 nan 8.310 nan 0.000 0.488 445 A N 0.847 123.633 122.820 -0.057 0.000 2.067 445 A HA 0.262 4.584 4.320 0.003 0.000 0.217 445 A C 0.821 178.355 177.584 -0.084 0.000 1.156 445 A CA 0.356 52.358 52.037 -0.058 0.000 0.683 445 A CB -0.316 18.653 19.000 -0.052 0.000 0.808 445 A HN 0.397 nan 8.150 nan 0.000 0.455 446 L N 0.702 121.855 121.223 -0.117 0.000 2.380 446 L HA 0.118 4.459 4.340 0.003 0.000 0.273 446 L C 0.077 176.796 176.870 -0.251 0.000 1.138 446 L CA -0.203 54.539 54.840 -0.162 0.000 0.832 446 L CB 0.801 42.761 42.059 -0.164 0.000 1.124 446 L HN 0.374 nan 8.230 nan 0.000 0.454 447 Q N 2.844 122.501 119.800 -0.237 0.000 3.006 447 Q HA 0.270 4.612 4.340 0.003 0.000 0.260 447 Q C -0.846 174.794 176.000 -0.599 0.000 1.356 447 Q CA -0.157 55.447 55.803 -0.332 0.000 1.070 447 Q CB 0.587 29.314 28.738 -0.019 0.000 1.507 447 Q HN 0.524 nan 8.270 nan 0.000 0.568 448 S N -0.841 114.256 115.700 -1.006 0.000 2.541 448 S HA 0.419 4.891 4.470 0.003 0.000 0.280 448 S C 0.964 174.936 174.600 -1.046 0.000 1.112 448 S CA -0.666 57.061 58.200 -0.789 0.000 0.925 448 S CB 1.752 64.714 63.200 -0.397 0.000 1.067 448 S HN 0.630 nan 8.310 nan 0.000 0.479 449 G N 1.572 110.053 108.800 -0.531 0.000 2.440 449 G HA2 -0.014 3.948 3.960 0.003 0.000 0.218 449 G HA3 -0.014 3.948 3.960 0.003 0.000 0.218 449 G C 0.245 174.954 174.900 -0.317 0.000 1.154 449 G CA 0.934 45.912 45.100 -0.203 0.000 0.767 449 G HN 0.602 nan 8.290 nan 0.000 0.552 450 T N -0.304 113.970 114.554 -0.466 0.000 2.824 450 T HA 0.548 4.900 4.350 0.003 0.000 0.282 450 T C -1.080 173.171 174.700 -0.749 0.000 0.993 450 T CA -0.425 61.316 62.100 -0.598 0.000 0.967 450 T CB 2.728 71.159 68.868 -0.727 0.000 0.960 450 T HN -0.057 nan 8.240 nan 0.000 0.441 451 V N 3.592 123.114 119.914 -0.654 0.000 2.443 451 V HA 0.416 4.538 4.120 0.003 0.000 0.293 451 V C -0.757 175.069 176.094 -0.447 0.000 1.021 451 V CA -1.065 60.944 62.300 -0.485 0.000 0.848 451 V CB 1.346 33.000 31.823 -0.281 0.000 0.998 451 V HN 0.786 nan 8.190 nan 0.000 0.424 452 W N 3.464 124.655 121.300 -0.182 0.000 2.376 452 W HA 0.654 5.316 4.660 0.002 0.000 0.322 452 W C -0.553 175.804 176.519 -0.270 0.000 1.160 452 W CA -0.681 56.527 57.345 -0.228 0.000 1.218 452 W CB 1.867 31.145 29.460 -0.304 0.000 1.205 452 W HN 0.266 nan 8.180 nan 0.000 0.559 453 V N 4.477 124.353 119.914 -0.062 0.000 2.409 453 V HA 0.131 4.253 4.120 0.003 0.000 0.291 453 V C 0.203 176.127 176.094 -0.282 0.000 1.020 453 V CA -0.897 61.292 62.300 -0.185 0.000 0.848 453 V CB 1.165 32.937 31.823 -0.085 0.000 0.990 453 V HN 0.685 nan 8.190 nan 0.000 0.430 454 N N 1.938 120.299 118.700 -0.564 0.000 2.714 454 N HA -0.180 4.562 4.740 0.003 0.000 0.250 454 N C -0.221 175.074 175.510 -0.357 0.000 1.117 454 N CA 1.323 54.159 53.050 -0.356 0.000 0.719 454 N CB -1.200 37.288 38.487 0.001 0.000 1.081 454 N HN 1.060 nan 8.380 nan 0.000 0.557 455 C N -4.340 114.524 119.300 -0.726 0.000 3.253 455 C HA 0.826 5.288 4.460 0.003 0.000 0.362 455 C C -1.114 173.410 174.990 -0.777 0.000 1.487 455 C CA -1.263 56.941 59.018 -1.356 0.000 1.179 455 C CB 1.730 28.973 27.740 -0.829 0.000 1.660 455 C HN 0.290 nan 8.230 nan 0.000 0.438 456 Y N -0.571 119.101 120.300 -1.048 0.000 2.662 456 Y HA 0.497 5.048 4.550 0.003 0.000 0.334 456 Y C 0.721 175.928 175.900 -1.154 0.000 1.185 456 Y CA 0.730 58.267 58.100 -0.938 0.000 1.074 456 Y CB 1.531 39.866 38.460 -0.208 0.000 1.330 456 Y HN 1.504 nan 8.280 nan 0.000 0.458 457 S N 0.138 114.568 115.700 -2.117 0.000 3.270 457 S HA -0.163 4.309 4.470 0.003 0.000 0.293 457 S C -0.490 173.699 174.600 -0.685 0.000 1.278 457 S CA 0.856 58.395 58.200 -1.102 0.000 1.038 457 S CB -1.930 61.055 63.200 -0.359 0.000 1.218 457 S HN 0.559 nan 8.310 nan 0.000 0.659 458 V N 2.266 121.699 119.914 -0.802 0.000 2.338 458 V HA 0.322 4.443 4.120 0.003 0.000 0.255 458 V C 0.337 176.589 176.094 0.264 0.000 1.082 458 V CA -0.126 62.101 62.300 -0.122 0.000 0.951 458 V CB 0.772 32.573 31.823 -0.037 0.000 1.102 458 V HN 0.275 nan 8.190 nan 0.000 0.489 459 V N 4.150 124.136 119.914 0.119 0.000 2.495 459 V HA 0.612 4.733 4.120 0.003 0.000 0.298 459 V C 0.115 176.253 176.094 0.074 0.000 1.031 459 V CA -0.082 62.305 62.300 0.145 0.000 0.871 459 V CB 1.980 33.815 31.823 0.021 0.000 0.988 459 V HN 0.776 nan 8.190 nan 0.000 0.432 460 S N 2.415 118.147 115.700 0.052 0.000 2.634 460 S HA 0.747 5.219 4.470 0.003 0.000 0.296 460 S C 1.079 175.589 174.600 -0.151 0.000 1.104 460 S CA 0.223 58.406 58.200 -0.028 0.000 0.920 460 S CB 2.041 65.224 63.200 -0.028 0.000 1.111 460 S HN 0.931 nan 8.310 nan 0.000 0.493 461 A N 1.719 124.383 122.820 -0.259 0.000 1.930 461 A HA -0.060 4.262 4.320 0.003 0.000 0.217 461 A C 1.854 178.910 177.584 -0.880 0.000 1.175 461 A CA 1.322 53.049 52.037 -0.517 0.000 0.627 461 A CB -0.517 18.202 19.000 -0.469 0.000 0.815 461 A HN 0.822 nan 8.150 nan 0.000 0.443 462 Q N -0.673 118.664 119.800 -0.772 0.000 2.466 462 Q HA 0.058 4.400 4.340 0.003 0.000 0.210 462 Q C -0.002 175.909 176.000 -0.148 0.000 0.961 462 Q CA 0.280 55.731 55.803 -0.587 0.000 0.953 462 Q CB -1.038 27.567 28.738 -0.220 0.000 1.011 462 Q HN 0.511 nan 8.270 nan 0.000 0.516 463 C N 4.142 123.370 119.300 -0.120 0.000 2.351 463 C HA 0.517 4.978 4.460 0.003 0.000 0.326 463 C C -2.149 172.887 174.990 0.076 0.000 1.272 463 C CA -1.544 57.486 59.018 0.020 0.000 1.650 463 C CB 1.594 29.363 27.740 0.049 0.000 2.257 463 C HN 0.304 nan 8.230 nan 0.000 0.505 464 P HA 0.233 nan 4.420 nan 0.000 0.271 464 P C -1.091 176.347 177.300 0.230 0.000 1.216 464 P CA 0.147 63.367 63.100 0.201 0.000 0.776 464 P CB 0.730 32.596 31.700 0.278 0.000 0.881 465 F N 2.338 122.334 119.950 0.078 0.000 2.561 465 F HA 0.684 5.212 4.527 0.003 0.000 0.313 465 F C -0.291 175.592 175.800 0.138 0.000 1.126 465 F CA 0.217 58.287 58.000 0.117 0.000 0.918 465 F CB 2.092 41.232 39.000 0.233 0.000 1.199 465 F HN 0.635 nan 8.300 nan 0.000 0.444 466 G N 2.271 110.736 108.800 -0.560 0.000 2.349 466 G HA2 0.502 4.463 3.960 0.003 0.000 0.294 466 G HA3 0.502 4.463 3.960 0.003 0.000 0.294 466 G C -1.701 173.008 174.900 -0.318 0.000 1.380 466 G CA -0.210 44.693 45.100 -0.328 0.000 0.811 466 G HN 1.018 nan 8.290 nan 0.000 0.519 467 G N -1.346 107.389 108.800 -0.109 0.000 2.537 467 G HA2 0.693 4.654 3.960 0.003 0.000 0.308 467 G HA3 0.693 4.654 3.960 0.003 0.000 0.308 467 G C -1.073 173.959 174.900 0.220 0.000 1.237 467 G CA -0.718 44.404 45.100 0.036 0.000 0.968 467 G HN 0.371 nan 8.290 nan 0.000 0.481 468 F N 0.504 120.413 119.950 -0.069 0.000 2.375 468 F HA 0.485 5.014 4.527 0.003 0.000 0.313 468 F C 1.528 177.331 175.800 0.005 0.000 1.176 468 F CA -0.661 57.314 58.000 -0.042 0.000 1.142 468 F CB 0.879 39.851 39.000 -0.046 0.000 1.275 468 F HN 0.685 nan 8.300 nan 0.000 0.544 469 K N -0.142 120.355 120.400 0.162 0.000 1.931 469 K HA -0.312 4.009 4.320 0.003 0.000 0.126 469 K C 0.777 177.442 176.600 0.108 0.000 1.372 469 K CA 1.979 58.344 56.287 0.131 0.000 0.483 469 K CB -0.906 31.698 32.500 0.174 0.000 0.562 469 K HN 0.566 nan 8.250 nan 0.000 0.923 470 M N 1.017 120.687 119.600 0.117 0.000 2.639 470 M HA 0.009 4.490 4.480 0.003 0.000 0.220 470 M C 0.772 177.150 176.300 0.129 0.000 1.155 470 M CA 0.549 55.883 55.300 0.057 0.000 1.003 470 M CB 0.153 32.719 32.600 -0.057 0.000 1.725 470 M HN 0.265 nan 8.290 nan 0.000 0.489 471 S N 0.469 116.285 115.700 0.194 0.000 2.605 471 S HA 0.400 4.872 4.470 0.003 0.000 0.217 471 S C 0.666 175.349 174.600 0.139 0.000 0.958 471 S CA 0.199 58.541 58.200 0.237 0.000 0.919 471 S CB 0.230 63.568 63.200 0.229 0.000 0.780 471 S HN 0.753 nan 8.310 nan 0.000 0.507 472 G N 1.011 109.874 108.800 0.104 0.000 2.359 472 G HA2 0.083 4.044 3.960 0.003 0.000 0.314 472 G HA3 0.083 4.044 3.960 0.003 0.000 0.314 472 G C -1.822 173.098 174.900 0.033 0.000 1.364 472 G CA -1.135 44.011 45.100 0.077 0.000 0.978 472 G HN 0.267 nan 8.290 nan 0.000 0.615 473 N N -0.093 118.622 118.700 0.025 0.000 2.258 473 N HA 0.669 5.411 4.740 0.003 0.000 0.299 473 N C 0.283 175.784 175.510 -0.016 0.000 1.047 473 N CA 0.310 53.353 53.050 -0.013 0.000 0.814 473 N CB 2.147 40.625 38.487 -0.015 0.000 1.413 473 N HN 1.950 nan 8.380 nan 0.000 0.478 474 G N 1.191 109.964 108.800 -0.045 0.000 2.829 474 G HA2 -0.207 3.755 3.960 0.003 0.000 0.628 474 G HA3 -0.207 3.755 3.960 0.003 0.000 0.628 474 G C -1.144 173.752 174.900 -0.006 0.000 1.412 474 G CA -0.761 44.317 45.100 -0.037 0.000 0.864 474 G HN 0.433 nan 8.290 nan 0.000 0.544 475 R N 0.382 120.896 120.500 0.023 0.000 2.803 475 R HA 0.601 4.943 4.340 0.003 0.000 0.276 475 R C -0.068 176.309 176.300 0.129 0.000 0.978 475 R CA -0.694 55.452 56.100 0.077 0.000 0.939 475 R CB 1.723 32.074 30.300 0.086 0.000 1.179 475 R HN 0.758 nan 8.270 nan 0.000 0.472 476 E N 1.910 122.223 120.200 0.188 0.000 2.244 476 E HA 0.508 4.859 4.350 0.003 0.000 0.266 476 E C -0.058 176.573 176.600 0.052 0.000 0.914 476 E CA -0.833 55.659 56.400 0.153 0.000 0.794 476 E CB 1.823 31.676 29.700 0.256 0.000 1.210 476 E HN 0.318 nan 8.360 nan 0.000 0.414 477 L N 0.053 121.268 121.223 -0.012 0.000 1.587 477 L HA -0.328 4.014 4.340 0.003 0.000 0.352 477 L C 0.758 177.794 176.870 0.277 0.000 1.064 477 L CA 1.017 55.892 54.840 0.059 0.000 1.224 477 L CB -1.430 40.417 42.059 -0.353 0.000 0.539 477 L HN 1.012 nan 8.230 nan 0.000 0.241 478 G N -0.390 108.616 108.800 0.343 0.000 2.804 478 G HA2 -0.280 3.682 3.960 0.003 0.000 0.230 478 G HA3 -0.280 3.682 3.960 0.003 0.000 0.230 478 G C 0.376 175.505 174.900 0.381 0.000 1.386 478 G CA 0.896 46.206 45.100 0.349 0.000 0.875 478 G HN 1.143 nan 8.290 nan 0.000 0.557 479 E N -1.023 119.281 120.200 0.174 0.000 2.047 479 E HA -0.136 4.216 4.350 0.003 0.000 0.191 479 E C 2.207 178.692 176.600 -0.191 0.000 0.987 479 E CA 1.820 58.112 56.400 -0.180 0.000 0.799 479 E CB -0.164 29.412 29.700 -0.207 0.000 0.752 479 E HN 0.618 nan 8.360 nan 0.000 0.449 480 Y N 0.286 120.621 120.300 0.059 0.000 2.224 480 Y HA -0.049 4.503 4.550 0.003 0.000 0.289 480 Y C 2.481 178.443 175.900 0.103 0.000 1.146 480 Y CA 1.223 59.353 58.100 0.050 0.000 1.182 480 Y CB -0.987 37.492 38.460 0.032 0.000 0.983 480 Y HN 0.186 nan 8.280 nan 0.000 0.524 481 G N -0.873 108.105 108.800 0.296 0.000 2.432 481 G HA2 -0.250 3.712 3.960 0.003 0.000 0.219 481 G HA3 -0.250 3.712 3.960 0.003 0.000 0.219 481 G C 1.304 176.311 174.900 0.178 0.000 1.135 481 G CA 0.705 45.940 45.100 0.225 0.000 0.767 481 G HN 0.329 nan 8.290 nan 0.000 0.550 482 F N -0.154 119.773 119.950 -0.037 0.000 2.502 482 F HA 0.110 4.639 4.527 0.003 0.000 0.298 482 F C 2.288 178.065 175.800 -0.039 0.000 1.111 482 F CA 0.641 58.588 58.000 -0.090 0.000 1.445 482 F CB -0.247 38.490 39.000 -0.438 0.000 1.081 482 F HN 0.258 nan 8.300 nan 0.000 0.558 483 H N 0.431 119.534 119.070 0.056 0.000 2.502 483 H HA -0.042 4.516 4.556 0.003 0.000 0.283 483 H C 1.483 176.801 175.328 -0.016 0.000 1.015 483 H CA 1.019 57.075 56.048 0.014 0.000 1.298 483 H CB 0.385 30.162 29.762 0.025 0.000 1.411 483 H HN 0.207 nan 8.280 nan 0.000 0.556 484 E N 0.192 120.384 120.200 -0.013 0.000 2.338 484 E HA -0.142 4.209 4.350 0.003 0.000 0.197 484 E C 0.427 176.784 176.600 -0.404 0.000 1.007 484 E CA 0.503 56.791 56.400 -0.186 0.000 0.849 484 E CB -0.091 29.491 29.700 -0.197 0.000 0.774 484 E HN 0.588 nan 8.360 nan 0.000 0.506 485 Y N 0.686 120.909 120.300 -0.130 0.000 2.658 485 Y HA 0.085 4.637 4.550 0.003 0.000 0.276 485 Y C 0.650 176.480 175.900 -0.118 0.000 1.167 485 Y CA -0.162 57.859 58.100 -0.132 0.000 1.230 485 Y CB 0.481 38.840 38.460 -0.169 0.000 1.144 485 Y HN -0.137 nan 8.280 nan 0.000 0.529 486 T N -3.338 111.154 114.554 -0.103 0.000 2.916 486 T HA 0.630 4.981 4.350 0.003 0.000 0.292 486 T C -0.968 173.637 174.700 -0.159 0.000 1.055 486 T CA -0.975 61.061 62.100 -0.107 0.000 1.009 486 T CB 2.823 71.596 68.868 -0.159 0.000 1.118 486 T HN -0.030 nan 8.240 nan 0.000 0.497 487 E N 1.045 121.195 120.200 -0.084 0.000 2.216 487 E HA 0.529 4.881 4.350 0.003 0.000 0.260 487 E C -1.136 175.435 176.600 -0.048 0.000 0.880 487 E CA -0.711 55.647 56.400 -0.069 0.000 0.765 487 E CB 1.444 31.132 29.700 -0.020 0.000 1.174 487 E HN 0.641 nan 8.360 nan 0.000 0.417 488 V N 4.817 124.697 119.914 -0.058 0.000 2.555 488 V HA 0.269 4.391 4.120 0.003 0.000 0.286 488 V C 0.161 176.240 176.094 -0.025 0.000 1.044 488 V CA -0.112 62.173 62.300 -0.025 0.000 1.026 488 V CB 1.065 32.888 31.823 0.001 0.000 0.981 488 V HN 0.593 nan 8.190 nan 0.000 0.480 489 K N 2.873 123.257 120.400 -0.026 0.000 2.397 489 K HA 0.532 4.853 4.320 0.003 0.000 0.253 489 K C -0.703 175.837 176.600 -0.100 0.000 0.932 489 K CA -0.390 55.866 56.287 -0.052 0.000 0.795 489 K CB 1.662 34.140 32.500 -0.036 0.000 1.159 489 K HN 0.706 nan 8.250 nan 0.000 0.424 490 T N 2.925 117.399 114.554 -0.133 0.000 2.767 490 T HA 0.319 4.670 4.350 0.003 0.000 0.284 490 T C -0.817 173.706 174.700 -0.296 0.000 0.973 490 T CA -0.579 61.397 62.100 -0.207 0.000 0.996 490 T CB 1.114 69.886 68.868 -0.161 0.000 0.927 490 T HN 0.279 nan 8.240 nan 0.000 0.456 491 V N 4.252 123.851 119.914 -0.525 0.000 2.350 491 V HA 0.393 4.515 4.120 0.003 0.000 0.285 491 V C 0.216 175.989 176.094 -0.536 0.000 1.014 491 V CA -0.702 61.242 62.300 -0.592 0.000 0.831 491 V CB 1.499 32.730 31.823 -0.986 0.000 1.000 491 V HN 0.941 nan 8.190 nan 0.000 0.433 492 T N 6.800 121.187 114.554 -0.278 0.000 2.772 492 T HA 0.634 4.986 4.350 0.003 0.000 0.288 492 T C -0.207 174.500 174.700 0.011 0.000 0.994 492 T CA -0.089 61.916 62.100 -0.157 0.000 0.951 492 T CB 0.682 69.438 68.868 -0.187 0.000 0.933 492 T HN 0.385 nan 8.240 nan 0.000 0.447 493 I N 3.067 123.722 120.570 0.141 0.000 2.378 493 I HA 0.388 4.559 4.170 0.003 0.000 0.291 493 I C 0.394 176.711 176.117 0.333 0.000 0.992 493 I CA -0.998 60.446 61.300 0.240 0.000 1.154 493 I CB 1.688 39.871 38.000 0.304 0.000 1.315 493 I HN 0.365 nan 8.210 nan 0.000 0.448 494 K N 7.969 128.534 120.400 0.275 0.000 2.379 494 K HA 0.443 4.765 4.320 0.003 0.000 0.284 494 K C -0.698 175.905 176.600 0.004 0.000 1.044 494 K CA -0.160 56.196 56.287 0.115 0.000 0.974 494 K CB 0.644 33.202 32.500 0.097 0.000 0.962 494 K HN 0.661 nan 8.250 nan 0.000 0.474 495 I N 0.666 121.166 120.570 -0.116 0.000 2.892 495 I HA 0.306 4.477 4.170 0.003 0.000 0.306 495 I C 1.019 177.059 176.117 -0.128 0.000 1.078 495 I CA -0.839 60.418 61.300 -0.071 0.000 1.032 495 I CB 2.125 40.114 38.000 -0.018 0.000 1.229 495 I HN 0.708 nan 8.210 nan 0.000 0.435 496 S N 1.987 117.638 115.700 -0.082 0.000 2.348 496 S HA -0.160 4.312 4.470 0.003 0.000 0.221 496 S C 0.733 175.281 174.600 -0.087 0.000 1.033 496 S CA 1.012 59.164 58.200 -0.080 0.000 1.010 496 S CB -0.258 62.911 63.200 -0.052 0.000 0.891 496 S HN 0.842 nan 8.310 nan 0.000 0.442 497 Q N 0.292 120.050 119.800 -0.071 0.000 2.268 497 Q HA 0.396 4.738 4.340 0.003 0.000 0.266 497 Q C -1.599 174.375 176.000 -0.043 0.000 1.006 497 Q CA -0.666 55.101 55.803 -0.059 0.000 0.824 497 Q CB 1.682 30.395 28.738 -0.043 0.000 1.306 497 Q HN 0.413 nan 8.270 nan 0.000 0.424 498 K N 3.200 123.581 120.400 -0.031 0.000 2.144 498 K HA 0.378 4.699 4.320 0.003 0.000 0.270 498 K C -0.992 175.612 176.600 0.007 0.000 1.005 498 K CA -0.235 56.054 56.287 0.003 0.000 0.932 498 K CB 0.832 33.352 32.500 0.034 0.000 1.021 498 K HN 0.629 nan 8.250 nan 0.000 0.462 499 N N 1.245 119.953 118.700 0.014 0.000 2.235 499 N HA 0.100 4.842 4.740 0.003 0.000 0.293 499 N C -0.928 174.596 175.510 0.024 0.000 1.083 499 N CA -0.477 52.580 53.050 0.011 0.000 0.801 499 N CB 2.108 40.593 38.487 -0.004 0.000 1.559 499 N HN 0.782 nan 8.380 nan 0.000 0.472 500 S N 0.000 115.715 115.700 0.024 0.000 2.498 500 S HA 0.000 4.472 4.470 0.003 0.000 0.327 500 S CA 0.000 58.219 58.200 0.032 0.000 1.107 500 S CB 0.000 63.215 63.200 0.026 0.000 0.593 500 S HN 0.000 nan 8.310 nan 0.000 0.517