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 1cck_1_A DATA FIRST_RESID 4 DATA SEQUENCE LVHVASVEKG RSYEDFQKVY NAIALKLRED DEYDNYIGYG PVLVRLAWHI DATA SEQUENCE SGTWDKHDNT GGSYGGTYRF KKEFNDPSNA GLQNGFKFLE PIHKEFPWIS DATA SEQUENCE SGDLFSLGGV TAVQEMQGPK IPWRCGRVDT PEDTTPDNGR LPDADKDAGY DATA SEQUENCE VRTFFQRLNM NDREVVALMG AHALGKTHLK NSGYEGPWGA ANNVFTNEYY DATA SEQUENCE LNLLNEDWKL EKNDANNEQW DSKSGYMMLP TDYSLIQDPK YLSIVKEYAN DATA SEQUENCE DQDKFFKDFS KAFEKLLENG ITFPKDAPSP FIFKTLEEQG L 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 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.654 176.870 -0.360 0.000 1.165 4 L CA 0.000 54.696 54.840 -0.240 0.000 0.813 4 L CB 0.000 41.872 42.059 -0.311 0.000 0.961 5 V N 1.045 120.731 119.914 -0.380 0.000 2.630 5 V HA 0.310 nan 4.120 nan 0.000 0.305 5 V C -1.227 174.516 176.094 -0.584 0.000 1.046 5 V CA -1.396 60.680 62.300 -0.373 0.000 0.934 5 V CB 1.576 33.281 31.823 -0.198 0.000 1.003 5 V HN 0.011 8.027 8.190 -0.292 0.000 0.451 6 H N 3.930 122.794 119.070 -0.343 0.000 3.036 6 H HA 0.267 nan 4.556 nan 0.000 0.295 6 H C -1.441 173.542 175.328 -0.575 0.000 1.124 6 H CA -0.951 54.681 56.048 -0.694 0.000 1.507 6 H CB 1.313 30.312 29.762 -1.271 0.000 1.591 6 H HN 0.437 8.504 8.280 -0.354 0.000 0.510 7 V N 3.617 123.424 119.914 -0.179 0.000 2.432 7 V HA 0.235 nan 4.120 nan 0.000 0.275 7 V C -0.663 175.437 176.094 0.010 0.000 1.043 7 V CA -1.071 61.159 62.300 -0.116 0.000 0.925 7 V CB 0.172 31.966 31.823 -0.048 0.000 0.985 7 V HN 0.510 8.653 8.190 -0.078 0.000 0.466 8 A N 8.446 131.182 122.820 -0.139 0.000 2.524 8 A HA -0.050 nan 4.320 nan 0.000 0.250 8 A C -1.347 176.268 177.584 0.051 0.000 1.078 8 A CA 0.614 52.622 52.037 -0.047 0.000 0.761 8 A CB 0.435 19.298 19.000 -0.229 0.000 1.012 8 A HN 0.588 8.538 8.150 -0.333 0.000 0.500 9 S N 4.324 120.078 115.700 0.089 0.000 2.667 9 S HA 0.074 nan 4.470 nan 0.000 0.304 9 S C -0.667 174.000 174.600 0.111 0.000 1.135 9 S CA -1.081 57.173 58.200 0.090 0.000 1.125 9 S CB 0.970 64.225 63.200 0.091 0.000 0.996 9 S HN 0.022 8.313 8.310 0.099 0.078 0.474 10 V N 6.592 126.582 119.914 0.127 0.000 2.644 10 V HA -0.173 nan 4.120 nan 0.000 0.305 10 V C 0.394 176.612 176.094 0.207 0.000 1.053 10 V CA 0.422 62.839 62.300 0.195 0.000 1.186 10 V CB 0.041 31.984 31.823 0.201 0.000 0.895 10 V HN 0.147 8.401 8.190 0.108 0.000 0.490 11 E N 6.039 126.418 120.200 0.298 0.000 2.558 11 E HA -0.194 nan 4.350 nan 0.000 0.255 11 E C -0.324 176.351 176.600 0.126 0.000 0.968 11 E CA 0.683 57.234 56.400 0.251 0.000 0.939 11 E CB 0.399 30.352 29.700 0.421 0.000 0.921 11 E HN 0.279 8.884 8.360 0.407 0.000 0.477 12 K N 6.487 126.933 120.400 0.077 0.000 2.430 12 K HA -0.335 nan 4.320 nan 0.000 0.280 12 K C 0.486 177.056 176.600 -0.049 0.000 1.063 12 K CA 1.660 57.962 56.287 0.025 0.000 1.071 12 K CB -0.189 32.328 32.500 0.028 0.000 0.899 12 K HN 0.572 8.881 8.250 0.099 0.000 0.473 13 G N 3.908 112.686 108.800 -0.036 0.000 2.176 13 G HA2 -0.318 nan 3.960 nan 0.000 0.253 13 G HA3 -0.318 nan 3.960 nan 0.000 0.253 13 G C -0.093 174.723 174.900 -0.140 0.000 0.979 13 G CA -0.108 44.945 45.100 -0.078 0.000 0.641 13 G HN 0.256 8.552 8.290 0.009 0.000 0.530 14 R N 0.498 120.902 120.500 -0.161 0.000 2.404 14 R HA 0.258 nan 4.340 nan 0.000 0.291 14 R C -0.670 175.634 176.300 0.007 0.000 1.025 14 R CA -1.478 54.454 56.100 -0.281 0.000 0.991 14 R CB 0.785 30.726 30.300 -0.599 0.000 1.053 14 R HN -0.379 7.785 8.270 -0.085 0.055 0.479 15 S N 3.200 118.886 115.700 -0.023 0.000 2.810 15 S HA 0.430 nan 4.470 nan 0.000 0.315 15 S C 0.008 174.712 174.600 0.173 0.000 1.138 15 S CA -1.689 56.618 58.200 0.178 0.000 0.889 15 S CB 2.410 65.672 63.200 0.104 0.000 1.236 15 S HN 0.095 8.601 8.310 -0.191 -0.311 0.548 16 Y N 2.227 122.486 120.300 -0.069 0.000 2.069 16 Y HA -0.485 nan 4.550 nan 0.000 0.278 16 Y C 1.290 177.131 175.900 -0.098 0.000 1.175 16 Y CA 3.973 61.816 58.100 -0.428 0.000 1.134 16 Y CB -0.044 38.183 38.460 -0.389 0.000 0.965 16 Y HN 0.567 9.001 8.280 0.256 0.000 0.498 17 E N -3.153 116.936 120.200 -0.186 0.000 2.160 17 E HA -0.416 nan 4.350 nan 0.000 0.195 17 E C 2.556 179.039 176.600 -0.195 0.000 0.991 17 E CA 3.249 59.516 56.400 -0.222 0.000 0.810 17 E CB -0.840 28.828 29.700 -0.054 0.000 0.742 17 E HN -0.059 8.313 8.360 0.039 0.011 0.466 18 D N -0.769 119.522 120.400 -0.181 0.000 2.097 18 D HA -0.207 nan 4.640 nan 0.000 0.197 18 D C 2.313 178.545 176.300 -0.112 0.000 0.984 18 D CA 3.491 57.379 54.000 -0.186 0.000 0.826 18 D CB -0.008 40.485 40.800 -0.512 0.000 0.973 18 D HN -0.264 7.877 8.370 -0.168 0.128 0.460 19 F N -0.599 119.375 119.950 0.041 0.000 2.186 19 F HA -0.206 nan 4.527 nan 0.000 0.299 19 F C 2.078 177.635 175.800 -0.405 0.000 1.090 19 F CA 2.882 60.877 58.000 -0.008 0.000 1.307 19 F CB -0.341 38.843 39.000 0.306 0.000 1.019 19 F HN -0.823 7.462 8.300 -0.025 0.000 0.489 20 Q N -0.608 119.043 119.800 -0.249 0.000 2.181 20 Q HA -0.388 nan 4.340 nan 0.000 0.205 20 Q C 1.998 177.827 176.000 -0.286 0.000 0.980 20 Q CA 3.190 58.746 55.803 -0.410 0.000 0.862 20 Q CB -0.690 27.753 28.738 -0.492 0.000 0.905 20 Q HN 0.240 8.378 8.270 -0.220 0.000 0.429 21 K N -0.624 119.642 120.400 -0.224 0.000 2.103 21 K HA -0.259 nan 4.320 nan 0.000 0.204 21 K C 2.412 178.743 176.600 -0.448 0.000 1.052 21 K CA 3.303 59.491 56.287 -0.164 0.000 0.945 21 K CB -0.164 32.366 32.500 0.050 0.000 0.722 21 K HN -0.586 7.451 8.250 -0.197 0.095 0.443 22 V N 0.447 119.913 119.914 -0.748 0.000 2.427 22 V HA -0.347 nan 4.120 nan 0.000 0.248 22 V C 1.697 177.468 176.094 -0.540 0.000 1.051 22 V CA 4.384 66.087 62.300 -0.995 0.000 1.048 22 V CB -1.088 30.221 31.823 -0.856 0.000 0.666 22 V HN -0.591 7.188 8.190 -0.552 0.080 0.456 23 Y N 0.004 119.932 120.300 -0.620 0.000 2.070 23 Y HA -0.618 nan 4.550 nan 0.000 0.280 23 Y C 1.466 177.171 175.900 -0.326 0.000 1.148 23 Y CA 3.680 61.450 58.100 -0.549 0.000 1.125 23 Y CB -0.171 37.825 38.460 -0.774 0.000 0.975 23 Y HN 0.242 8.238 8.280 -0.473 0.000 0.492 24 N N -0.980 117.770 118.700 0.084 0.000 2.091 24 N HA -0.593 nan 4.740 nan 0.000 0.193 24 N C 2.057 177.547 175.510 -0.034 0.000 1.021 24 N CA 3.200 56.285 53.050 0.059 0.000 0.862 24 N CB -0.200 38.306 38.487 0.032 0.000 1.018 24 N HN 0.049 8.462 8.380 0.055 0.000 0.429 25 A N 0.137 122.908 122.820 -0.082 0.000 1.877 25 A HA -0.258 nan 4.320 nan 0.000 0.216 25 A C 2.086 179.594 177.584 -0.128 0.000 1.186 25 A CA 3.045 55.048 52.037 -0.057 0.000 0.620 25 A CB -0.598 18.422 19.000 0.033 0.000 0.822 25 A HN -0.183 7.888 8.150 -0.132 0.000 0.443 26 I N -1.345 119.111 120.570 -0.191 0.000 2.179 26 I HA -0.581 nan 4.170 nan 0.000 0.242 26 I C 1.790 177.849 176.117 -0.096 0.000 1.088 26 I CA 4.064 65.274 61.300 -0.149 0.000 1.357 26 I CB -0.254 37.620 38.000 -0.210 0.000 1.051 26 I HN -0.222 7.841 8.210 -0.245 0.000 0.409 27 A N 0.111 122.815 122.820 -0.193 0.000 1.902 27 A HA -0.275 nan 4.320 nan 0.000 0.217 27 A C 2.087 179.661 177.584 -0.017 0.000 1.181 27 A CA 3.347 55.306 52.037 -0.130 0.000 0.623 27 A CB -0.682 18.234 19.000 -0.139 0.000 0.818 27 A HN 0.339 8.325 8.150 -0.274 0.000 0.443 28 L N -1.868 119.345 121.223 -0.017 0.000 2.046 28 L HA -0.300 nan 4.340 nan 0.000 0.208 28 L C 2.049 178.918 176.870 -0.003 0.000 1.077 28 L CA 2.431 57.271 54.840 -0.000 0.000 0.747 28 L CB -1.141 40.913 42.059 -0.009 0.000 0.896 28 L HN 0.168 8.377 8.230 -0.036 0.000 0.432 29 K N -0.237 120.134 120.400 -0.048 0.000 2.283 29 K HA -0.252 nan 4.320 nan 0.000 0.202 29 K C 2.569 179.263 176.600 0.157 0.000 1.048 29 K CA 3.152 59.389 56.287 -0.083 0.000 0.948 29 K CB -0.252 32.004 32.500 -0.407 0.000 0.742 29 K HN -0.413 7.787 8.250 -0.083 0.000 0.458 30 L N -1.397 119.979 121.223 0.255 0.000 2.027 30 L HA -0.368 nan 4.340 nan 0.000 0.206 30 L C 1.854 178.820 176.870 0.160 0.000 1.074 30 L CA 2.893 57.884 54.840 0.252 0.000 0.745 30 L CB -0.326 41.804 42.059 0.119 0.000 0.898 30 L HN -0.060 8.204 8.230 0.186 0.078 0.433 31 R N -2.421 118.142 120.500 0.104 0.000 2.080 31 R HA -0.325 nan 4.340 nan 0.000 0.236 31 R C 2.254 178.609 176.300 0.091 0.000 1.137 31 R CA 2.743 58.895 56.100 0.086 0.000 0.943 31 R CB 0.057 30.395 30.300 0.063 0.000 0.846 31 R HN -0.391 7.930 8.270 0.085 0.000 0.431 32 E N -1.663 118.585 120.200 0.080 0.000 2.047 32 E HA -0.209 nan 4.350 nan 0.000 0.191 32 E C 2.138 178.798 176.600 0.101 0.000 0.987 32 E CA 2.465 58.907 56.400 0.071 0.000 0.799 32 E CB 0.203 29.921 29.700 0.031 0.000 0.752 32 E HN -0.331 8.070 8.360 0.069 0.000 0.449 33 D N 0.249 120.746 120.400 0.160 0.000 3.060 33 D HA 0.200 nan 4.640 nan 0.000 0.245 33 D C -0.008 176.411 176.300 0.199 0.000 1.274 33 D CA -0.752 53.378 54.000 0.217 0.000 0.864 33 D CB -1.845 39.169 40.800 0.357 0.000 1.073 33 D HN -0.193 8.289 8.370 0.187 0.000 0.473 34 D N -1.572 118.887 120.400 0.099 0.000 2.309 34 D HA -0.341 nan 4.640 nan 0.000 0.212 34 D C 0.063 176.227 176.300 -0.228 0.000 0.968 34 D CA 2.581 56.597 54.000 0.027 0.000 0.882 34 D CB -0.429 40.422 40.800 0.085 0.000 0.918 34 D HN -0.360 7.966 8.370 0.103 0.106 0.503 35 E N -2.720 117.257 120.200 -0.371 0.000 2.285 35 E HA -0.282 nan 4.350 nan 0.000 0.194 35 E C 0.468 176.745 176.600 -0.538 0.000 0.997 35 E CA 0.089 55.934 56.400 -0.926 0.000 0.845 35 E CB -0.836 28.549 29.700 -0.524 0.000 0.782 35 E HN 0.012 8.220 8.360 -0.147 0.064 0.491 36 Y N 4.341 124.425 120.300 -0.359 0.000 2.811 36 Y HA -0.381 nan 4.550 nan 0.000 0.334 36 Y C -1.188 174.529 175.900 -0.304 0.000 1.247 36 Y CA 1.994 59.877 58.100 -0.362 0.000 1.526 36 Y CB 0.348 38.380 38.460 -0.714 0.000 1.284 36 Y HN -0.875 7.346 8.280 -0.034 0.039 0.586 37 D N 6.647 126.460 120.400 -0.980 0.000 2.812 37 D HA -0.483 nan 4.640 nan 0.000 0.237 37 D C -1.180 174.960 176.300 -0.267 0.000 1.162 37 D CA 0.693 54.273 54.000 -0.699 0.000 0.740 37 D CB -0.860 39.451 40.800 -0.816 0.000 1.000 37 D HN 0.384 8.146 8.370 -1.015 0.000 0.416 38 N N -2.163 116.452 118.700 -0.142 0.000 2.714 38 N HA -0.389 nan 4.740 nan 0.000 0.252 38 N C -0.957 174.662 175.510 0.181 0.000 1.014 38 N CA 1.131 54.216 53.050 0.059 0.000 0.735 38 N CB -1.281 37.236 38.487 0.050 0.000 0.924 38 N HN 0.410 8.689 8.380 -0.167 0.000 0.540 39 Y N -9.460 110.819 120.300 -0.034 0.000 4.668 39 Y HA -0.484 nan 4.550 nan 0.000 0.234 39 Y C 0.229 176.136 175.900 0.012 0.000 1.056 39 Y CA 1.493 59.596 58.100 0.006 0.000 2.025 39 Y CB -2.152 36.317 38.460 0.015 0.000 1.613 39 Y HN -0.128 7.858 8.280 -0.320 0.103 0.653 40 I N -2.417 118.169 120.570 0.027 0.000 2.353 40 I HA -0.272 nan 4.170 nan 0.000 0.248 40 I C 0.754 176.896 176.117 0.040 0.000 1.119 40 I CA 1.905 63.228 61.300 0.038 0.000 1.417 40 I CB 0.604 38.613 38.000 0.015 0.000 1.078 40 I HN -0.683 7.437 8.210 -0.027 0.074 0.421 41 G N -2.977 105.830 108.800 0.012 0.000 2.712 41 G HA2 -0.252 nan 3.960 nan 0.000 0.683 41 G HA3 -0.252 nan 3.960 nan 0.000 0.683 41 G C -0.682 174.255 174.900 0.061 0.000 1.320 41 G CA -0.680 44.451 45.100 0.052 0.000 0.847 41 G HN -0.452 7.806 8.290 -0.053 0.000 0.553 42 Y N -0.085 120.181 120.300 -0.058 0.000 2.583 42 Y HA -0.141 nan 4.550 nan 0.000 0.293 42 Y C 1.486 177.216 175.900 -0.284 0.000 1.157 42 Y CA 1.923 59.828 58.100 -0.325 0.000 1.315 42 Y CB -0.302 37.588 38.460 -0.950 0.000 1.021 42 Y HN 0.498 8.896 8.280 0.196 0.000 0.536 43 G N 0.429 109.209 108.800 -0.034 0.000 2.491 43 G HA2 -0.348 nan 3.960 nan 0.000 0.218 43 G HA3 -0.348 nan 3.960 nan 0.000 0.218 43 G C -1.196 173.711 174.900 0.011 0.000 1.180 43 G CA 2.496 47.578 45.100 -0.031 0.000 0.774 43 G HN 0.617 8.859 8.290 0.004 0.051 0.562 44 P HA -0.227 nan 4.420 nan 0.000 0.215 44 P C 0.886 178.245 177.300 0.098 0.000 1.157 44 P CA 2.880 66.033 63.100 0.088 0.000 0.868 44 P CB -0.518 31.252 31.700 0.117 0.000 0.788 45 V N -3.004 116.968 119.914 0.096 0.000 2.490 45 V HA -0.323 nan 4.120 nan 0.000 0.250 45 V C 1.620 177.730 176.094 0.026 0.000 1.061 45 V CA 3.092 65.439 62.300 0.079 0.000 1.064 45 V CB -0.554 31.331 31.823 0.103 0.000 0.670 45 V HN -0.232 8.022 8.190 0.105 0.000 0.461 46 L N -1.392 119.824 121.223 -0.011 0.000 2.056 46 L HA -0.354 nan 4.340 nan 0.000 0.207 46 L C 1.898 178.816 176.870 0.079 0.000 1.078 46 L CA 3.500 58.331 54.840 -0.015 0.000 0.749 46 L CB -0.672 41.334 42.059 -0.089 0.000 0.901 46 L HN -0.384 7.813 8.230 -0.034 0.013 0.433 47 V N -1.274 118.710 119.914 0.118 0.000 2.548 47 V HA -0.413 nan 4.120 nan 0.000 0.249 47 V C 1.317 177.593 176.094 0.303 0.000 1.055 47 V CA 3.548 65.990 62.300 0.237 0.000 1.065 47 V CB -0.774 31.137 31.823 0.146 0.000 0.681 47 V HN -0.156 8.079 8.190 0.076 0.000 0.462 48 R N 0.554 121.191 120.500 0.227 0.000 2.091 48 R HA -0.348 nan 4.340 nan 0.000 0.238 48 R C 1.878 178.240 176.300 0.103 0.000 1.136 48 R CA 3.497 59.763 56.100 0.276 0.000 0.959 48 R CB -0.148 30.236 30.300 0.139 0.000 0.856 48 R HN -0.238 8.130 8.270 0.164 0.000 0.437 49 L N -0.850 120.353 121.223 -0.033 0.000 2.017 49 L HA -0.314 nan 4.340 nan 0.000 0.208 49 L C 1.233 178.043 176.870 -0.100 0.000 1.073 49 L CA 3.080 57.800 54.840 -0.200 0.000 0.745 49 L CB -0.542 41.389 42.059 -0.212 0.000 0.894 49 L HN 0.119 8.349 8.230 -0.001 0.000 0.432 50 A N -1.353 121.517 122.820 0.085 0.000 1.933 50 A HA -0.289 nan 4.320 nan 0.000 0.218 50 A C 2.009 179.706 177.584 0.187 0.000 1.175 50 A CA 2.895 55.016 52.037 0.141 0.000 0.628 50 A CB -0.811 18.326 19.000 0.228 0.000 0.814 50 A HN -0.153 8.075 8.150 0.129 0.000 0.444 51 W N -1.241 120.197 121.300 0.230 0.000 2.409 51 W HA -0.384 nan 4.660 nan 0.000 0.299 51 W C 1.234 177.889 176.519 0.226 0.000 1.203 51 W CA 3.058 60.562 57.345 0.264 0.000 1.298 51 W CB 0.074 29.745 29.460 0.352 0.000 1.127 51 W HN -0.172 8.317 8.180 0.516 0.000 0.528 52 H N -0.886 117.771 119.070 -0.689 0.000 2.423 52 H HA -0.315 nan 4.556 nan 0.000 0.297 52 H C 2.303 177.369 175.328 -0.436 0.000 1.075 52 H CA 3.360 58.962 56.048 -0.743 0.000 1.342 52 H CB 0.928 30.378 29.762 -0.521 0.000 1.395 52 H HN -0.213 8.016 8.280 -0.085 0.000 0.530 53 I N -5.417 115.032 120.570 -0.202 0.000 2.439 53 I HA -0.277 nan 4.170 nan 0.000 0.251 53 I C 0.728 176.826 176.117 -0.031 0.000 1.139 53 I CA 2.626 63.865 61.300 -0.102 0.000 1.438 53 I CB -0.148 37.827 38.000 -0.041 0.000 1.085 53 I HN -0.291 7.799 8.210 -0.200 0.000 0.427 54 S N -0.539 115.132 115.700 -0.048 0.000 2.436 54 S HA -0.105 nan 4.470 nan 0.000 0.228 54 S C 2.579 177.183 174.600 0.006 0.000 1.014 54 S CA 3.281 61.479 58.200 -0.003 0.000 0.950 54 S CB 0.543 63.764 63.200 0.036 0.000 0.784 54 S HN -0.642 7.636 8.310 -0.053 0.000 0.504 55 G N 0.126 108.815 108.800 -0.185 0.000 2.848 55 G HA2 -0.008 nan 3.960 nan 0.000 0.208 55 G HA3 -0.008 nan 3.960 nan 0.000 0.208 55 G C -0.699 174.153 174.900 -0.080 0.000 1.152 55 G CA 1.586 46.559 45.100 -0.211 0.000 0.789 55 G HN 0.093 8.166 8.290 -0.361 0.000 0.531 56 T N -3.360 111.171 114.554 -0.038 0.000 3.148 56 T HA -0.080 nan 4.350 nan 0.000 0.253 56 T C 0.036 174.795 174.700 0.098 0.000 1.134 56 T CA -0.471 61.642 62.100 0.022 0.000 1.051 56 T CB -0.830 68.063 68.868 0.043 0.000 0.959 56 T HN -0.526 7.617 8.240 -0.058 0.062 0.525 57 W N 2.277 123.541 121.300 -0.061 0.000 2.181 57 W HA -0.143 nan 4.660 nan 0.000 0.335 57 W C -1.861 174.601 176.519 -0.095 0.000 1.310 57 W CA 0.951 58.266 57.345 -0.051 0.000 1.226 57 W CB 0.726 30.166 29.460 -0.033 0.000 1.155 57 W HN -0.770 7.499 8.180 0.255 0.064 0.565 58 D N 7.493 127.452 120.400 -0.735 0.000 2.471 58 D HA 0.317 nan 4.640 nan 0.000 0.245 58 D C 0.010 175.461 176.300 -1.415 0.000 1.116 58 D CA -1.650 51.837 54.000 -0.855 0.000 0.853 58 D CB 1.919 42.477 40.800 -0.402 0.000 1.123 58 D HN 0.246 8.226 8.370 -0.651 0.000 0.540 59 K N 5.565 124.955 120.400 -1.685 0.000 2.360 59 K HA -0.298 nan 4.320 nan 0.000 0.201 59 K C 1.051 177.219 176.600 -0.720 0.000 1.046 59 K CA 1.931 57.384 56.287 -1.390 0.000 0.940 59 K CB -0.219 31.725 32.500 -0.927 0.000 0.748 59 K HN 0.328 7.675 8.250 -1.506 0.000 0.465 60 H N -0.633 118.195 119.070 -0.404 0.000 2.395 60 H HA -0.125 nan 4.556 nan 0.000 0.299 60 H C 1.041 176.262 175.328 -0.178 0.000 1.070 60 H CA 1.803 57.713 56.048 -0.230 0.000 1.356 60 H CB 0.493 30.143 29.762 -0.187 0.000 1.401 60 H HN -0.287 7.727 8.280 -0.803 -0.216 0.524 61 D N -5.129 115.210 120.400 -0.102 0.000 2.527 61 D HA -0.056 nan 4.640 nan 0.000 0.224 61 D C 0.431 176.690 176.300 -0.070 0.000 1.217 61 D CA -0.775 53.185 54.000 -0.067 0.000 0.819 61 D CB 0.178 40.953 40.800 -0.043 0.000 1.061 61 D HN -0.600 7.648 8.370 -0.203 0.000 0.515 62 N N -1.843 116.788 118.700 -0.116 0.000 2.708 62 N HA -0.451 nan 4.740 nan 0.000 0.251 62 N C -0.897 174.733 175.510 0.200 0.000 1.123 62 N CA 1.087 54.185 53.050 0.079 0.000 0.739 62 N CB -0.871 37.668 38.487 0.086 0.000 1.113 62 N HN -0.083 8.157 8.380 -0.233 0.000 0.561 63 T N -6.269 108.318 114.554 0.054 0.000 2.849 63 T HA 0.284 nan 4.350 nan 0.000 0.284 63 T C -0.244 174.570 174.700 0.190 0.000 1.004 63 T CA -1.009 61.173 62.100 0.136 0.000 1.021 63 T CB 1.910 70.810 68.868 0.054 0.000 1.013 63 T HN -0.739 7.679 8.240 -0.074 -0.223 0.527 64 G N 3.377 112.303 108.800 0.210 0.000 2.645 64 G HA2 -0.490 nan 3.960 nan 0.000 0.246 64 G HA3 -0.490 nan 3.960 nan 0.000 0.246 64 G C -0.705 174.384 174.900 0.316 0.000 1.322 64 G CA -0.262 44.972 45.100 0.223 0.000 0.898 64 G HN 0.368 8.771 8.290 0.188 0.000 0.573 65 G N -1.153 107.799 108.800 0.255 0.000 2.757 65 G HA2 -0.315 nan 3.960 nan 0.000 0.638 65 G HA3 -0.315 nan 3.960 nan 0.000 0.638 65 G C 0.461 175.412 174.900 0.086 0.000 1.344 65 G CA -0.427 44.760 45.100 0.145 0.000 0.855 65 G HN -0.123 8.323 8.290 0.206 -0.033 0.537 66 S N 0.624 116.345 115.700 0.034 0.000 2.489 66 S HA -0.266 nan 4.470 nan 0.000 0.228 66 S C 1.504 176.162 174.600 0.097 0.000 0.995 66 S CA 2.097 60.344 58.200 0.078 0.000 0.934 66 S CB 0.242 63.475 63.200 0.055 0.000 0.771 66 S HN 0.483 8.771 8.310 -0.037 0.000 0.522 67 Y N 4.010 124.257 120.300 -0.088 0.000 2.081 67 Y HA -0.407 nan 4.550 nan 0.000 0.280 67 Y C 0.278 176.134 175.900 -0.072 0.000 1.163 67 Y CA 2.922 60.941 58.100 -0.135 0.000 1.135 67 Y CB -0.029 38.236 38.460 -0.324 0.000 0.970 67 Y HN 0.059 8.359 8.280 0.106 0.044 0.498 68 G N -6.556 102.276 108.800 0.055 0.000 2.920 68 G HA2 -0.018 nan 3.960 nan 0.000 0.208 68 G HA3 -0.018 nan 3.960 nan 0.000 0.208 68 G C 0.124 175.062 174.900 0.064 0.000 1.159 68 G CA -0.513 44.610 45.100 0.040 0.000 0.784 68 G HN 0.017 8.387 8.290 0.134 0.000 0.535 69 G N 0.107 108.958 108.800 0.087 0.000 2.337 69 G HA2 -0.515 nan 3.960 nan 0.000 0.290 69 G HA3 -0.515 nan 3.960 nan 0.000 0.290 69 G C 0.557 175.590 174.900 0.221 0.000 1.003 69 G CA 1.356 46.562 45.100 0.176 0.000 0.825 69 G HN -0.483 7.761 8.290 0.066 0.085 0.509 70 T N -3.375 111.324 114.554 0.241 0.000 3.077 70 T HA -0.337 nan 4.350 nan 0.000 0.269 70 T C 1.081 175.934 174.700 0.255 0.000 1.146 70 T CA 1.912 64.188 62.100 0.293 0.000 1.091 70 T CB -1.037 68.077 68.868 0.409 0.000 0.892 70 T HN 0.224 8.562 8.240 0.239 0.045 0.533 71 Y N 4.137 124.517 120.300 0.132 0.000 2.315 71 Y HA -0.380 nan 4.550 nan 0.000 0.288 71 Y C 0.029 175.936 175.900 0.011 0.000 1.154 71 Y CA 1.332 59.461 58.100 0.048 0.000 1.229 71 Y CB -0.660 37.717 38.460 -0.138 0.000 0.980 71 Y HN -0.540 7.941 8.280 0.406 0.042 0.540 72 R N -2.023 118.372 120.500 -0.175 0.000 2.200 72 R HA -0.302 nan 4.340 nan 0.000 0.234 72 R C 0.736 176.720 176.300 -0.526 0.000 1.127 72 R CA 1.757 57.612 56.100 -0.408 0.000 0.989 72 R CB -0.202 29.920 30.300 -0.296 0.000 0.869 72 R HN -0.815 7.473 8.270 0.090 0.036 0.459 73 F N -1.213 118.678 119.950 -0.098 0.000 2.384 73 F HA 0.162 nan 4.527 nan 0.000 0.338 73 F C 0.810 176.561 175.800 -0.082 0.000 1.103 73 F CA -0.938 57.011 58.000 -0.085 0.000 1.157 73 F CB 0.278 39.273 39.000 -0.008 0.000 1.167 73 F HN -0.518 7.468 8.300 -0.266 0.154 0.529 74 K N 4.091 124.566 120.400 0.126 0.000 2.049 74 K HA -0.537 nan 4.320 nan 0.000 0.219 74 K C 1.822 178.497 176.600 0.124 0.000 1.056 74 K CA 4.294 60.631 56.287 0.084 0.000 0.946 74 K CB -0.696 31.841 32.500 0.060 0.000 0.723 74 K HN 0.791 9.131 8.250 0.150 0.000 0.453 75 K N -1.708 118.762 120.400 0.117 0.000 2.034 75 K HA -0.404 nan 4.320 nan 0.000 0.214 75 K C 1.649 178.322 176.600 0.121 0.000 1.051 75 K CA 3.434 59.782 56.287 0.102 0.000 0.931 75 K CB -0.273 32.275 32.500 0.081 0.000 0.715 75 K HN 0.015 8.335 8.250 0.116 0.000 0.446 76 E N -2.546 117.749 120.200 0.157 0.000 2.107 76 E HA -0.225 nan 4.350 nan 0.000 0.191 76 E C 2.754 179.456 176.600 0.171 0.000 0.982 76 E CA 2.291 58.797 56.400 0.176 0.000 0.809 76 E CB 0.039 29.878 29.700 0.231 0.000 0.756 76 E HN -0.608 7.863 8.360 0.185 0.000 0.459 77 F N 0.935 120.810 119.950 -0.124 0.000 2.134 77 F HA -0.303 nan 4.527 nan 0.000 0.299 77 F C 0.942 176.694 175.800 -0.079 0.000 1.097 77 F CA 3.367 61.180 58.000 -0.312 0.000 1.264 77 F CB 0.450 39.141 39.000 -0.516 0.000 1.001 77 F HN -0.032 8.359 8.300 0.152 0.000 0.479 78 N N -3.037 115.719 118.700 0.093 0.000 2.314 78 N HA -0.042 nan 4.740 nan 0.000 0.200 78 N C -1.078 174.456 175.510 0.039 0.000 1.135 78 N CA 0.071 53.150 53.050 0.048 0.000 0.835 78 N CB 0.491 39.036 38.487 0.097 0.000 0.989 78 N HN -0.212 8.263 8.380 0.158 0.000 0.478 79 D N 2.880 123.311 120.400 0.052 0.000 2.472 79 D HA 0.071 nan 4.640 nan 0.000 0.248 79 D C -0.206 176.123 176.300 0.049 0.000 1.174 79 D CA -1.450 52.586 54.000 0.060 0.000 0.883 79 D CB 0.564 41.412 40.800 0.080 0.000 1.149 79 D HN -0.672 7.559 8.370 0.066 0.179 0.488 80 P HA -0.292 nan 4.420 nan 0.000 0.217 80 P C 1.411 178.756 177.300 0.075 0.000 1.158 80 P CA 2.537 65.669 63.100 0.054 0.000 0.887 80 P CB 0.173 31.905 31.700 0.054 0.000 0.792 81 S N -3.151 112.605 115.700 0.093 0.000 2.493 81 S HA -0.334 nan 4.470 nan 0.000 0.243 81 S C 0.801 175.527 174.600 0.210 0.000 0.991 81 S CA 2.899 61.185 58.200 0.143 0.000 0.957 81 S CB -0.452 62.811 63.200 0.104 0.000 0.756 81 S HN -0.315 8.191 8.310 0.081 -0.147 0.521 82 N N -0.246 118.528 118.700 0.124 0.000 2.236 82 N HA 0.079 nan 4.740 nan 0.000 0.196 82 N C -1.375 174.113 175.510 -0.038 0.000 1.114 82 N CA -0.784 52.297 53.050 0.052 0.000 0.859 82 N CB 0.404 38.925 38.487 0.056 0.000 0.982 82 N HN -0.159 8.084 8.380 0.088 0.190 0.493 83 A N -0.547 122.272 122.820 -0.001 0.000 2.573 83 A HA -0.268 nan 4.320 nan 0.000 0.250 83 A C 0.384 177.954 177.584 -0.024 0.000 1.049 83 A CA 1.943 53.969 52.037 -0.017 0.000 0.767 83 A CB -0.687 18.326 19.000 0.022 0.000 0.965 83 A HN -0.208 7.911 8.150 0.040 0.055 0.514 84 G N 3.627 112.400 108.800 -0.046 0.000 2.232 84 G HA2 -0.411 nan 3.960 nan 0.000 0.226 84 G HA3 -0.411 nan 3.960 nan 0.000 0.226 84 G C 1.146 176.026 174.900 -0.033 0.000 0.996 84 G CA 0.654 45.731 45.100 -0.038 0.000 0.626 84 G HN 0.523 9.043 8.290 -0.061 -0.267 0.509 85 L N 1.344 122.516 121.223 -0.085 0.000 2.376 85 L HA -0.347 nan 4.340 nan 0.000 0.219 85 L C 0.825 177.717 176.870 0.036 0.000 1.133 85 L CA 2.069 56.855 54.840 -0.090 0.000 0.816 85 L CB -0.513 41.402 42.059 -0.239 0.000 0.933 85 L HN -0.228 7.857 8.230 -0.113 0.078 0.449 86 Q N -1.296 118.502 119.800 -0.003 0.000 2.234 86 Q HA -0.417 nan 4.340 nan 0.000 0.206 86 Q C 2.249 178.420 176.000 0.285 0.000 0.980 86 Q CA 3.544 59.436 55.803 0.148 0.000 0.869 86 Q CB -0.974 27.819 28.738 0.092 0.000 0.912 86 Q HN 0.520 8.689 8.270 -0.094 0.045 0.436 87 N N -0.050 118.765 118.700 0.191 0.000 2.142 87 N HA -0.247 nan 4.740 nan 0.000 0.186 87 N C 2.181 177.805 175.510 0.190 0.000 1.023 87 N CA 2.744 55.915 53.050 0.202 0.000 0.852 87 N CB -0.655 37.943 38.487 0.185 0.000 0.998 87 N HN -0.589 7.855 8.380 0.131 0.014 0.424 88 G N -0.426 108.465 108.800 0.152 0.000 2.421 88 G HA2 -0.215 nan 3.960 nan 0.000 0.217 88 G HA3 -0.215 nan 3.960 nan 0.000 0.217 88 G C 1.031 176.067 174.900 0.226 0.000 1.143 88 G CA 1.515 46.676 45.100 0.102 0.000 0.784 88 G HN -0.136 8.127 8.290 0.128 0.104 0.541 89 F N 2.994 123.052 119.950 0.180 0.000 2.075 89 F HA -0.312 nan 4.527 nan 0.000 0.297 89 F C 1.085 177.014 175.800 0.216 0.000 1.113 89 F CA 2.501 60.672 58.000 0.286 0.000 1.218 89 F CB 0.272 39.549 39.000 0.460 0.000 0.984 89 F HN -0.220 8.340 8.300 0.434 0.000 0.472 90 K N -2.488 118.032 120.400 0.200 0.000 2.152 90 K HA -0.445 nan 4.320 nan 0.000 0.206 90 K C 1.907 178.466 176.600 -0.069 0.000 1.048 90 K CA 2.905 59.203 56.287 0.018 0.000 0.933 90 K CB -0.243 32.334 32.500 0.128 0.000 0.721 90 K HN -0.211 8.289 8.250 0.415 0.000 0.447 91 F N -1.635 118.161 119.950 -0.256 0.000 2.113 91 F HA -0.264 nan 4.527 nan 0.000 0.297 91 F C 0.886 176.507 175.800 -0.298 0.000 1.103 91 F CA 2.758 60.502 58.000 -0.426 0.000 1.248 91 F CB 0.719 39.281 39.000 -0.730 0.000 0.999 91 F HN -0.768 7.582 8.300 0.096 0.008 0.475 92 L N -3.090 118.145 121.223 0.020 0.000 2.313 92 L HA -0.325 nan 4.340 nan 0.000 0.214 92 L C 1.641 178.403 176.870 -0.179 0.000 1.119 92 L CA 1.947 56.754 54.840 -0.055 0.000 0.809 92 L CB -0.311 41.815 42.059 0.112 0.000 0.933 92 L HN -0.580 7.734 8.230 0.141 0.000 0.449 93 E N 0.493 120.530 120.200 -0.271 0.000 2.070 93 E HA -0.282 nan 4.350 nan 0.000 0.197 93 E C -1.026 175.460 176.600 -0.191 0.000 1.004 93 E CA 5.578 61.802 56.400 -0.292 0.000 0.805 93 E CB -1.632 27.815 29.700 -0.421 0.000 0.744 93 E HN -0.170 7.982 8.360 -0.300 0.027 0.451 94 P HA -0.178 nan 4.420 nan 0.000 0.218 94 P C 1.531 178.743 177.300 -0.147 0.000 1.148 94 P CA 2.656 65.649 63.100 -0.180 0.000 0.822 94 P CB -0.513 31.060 31.700 -0.213 0.000 0.784 95 I N -1.695 118.785 120.570 -0.151 0.000 2.353 95 I HA -0.456 nan 4.170 nan 0.000 0.248 95 I C 1.576 177.727 176.117 0.057 0.000 1.119 95 I CA 3.604 64.874 61.300 -0.051 0.000 1.417 95 I CB -0.152 37.768 38.000 -0.134 0.000 1.078 95 I HN -0.742 7.225 8.210 -0.214 0.114 0.421 96 H N 0.957 119.942 119.070 -0.141 0.000 2.357 96 H HA -0.353 nan 4.556 nan 0.000 0.301 96 H C 1.714 176.949 175.328 -0.155 0.000 1.082 96 H CA 2.825 58.776 56.048 -0.162 0.000 1.342 96 H CB 0.356 30.007 29.762 -0.186 0.000 1.389 96 H HN -0.203 8.068 8.280 -0.014 0.000 0.511 97 K N -2.958 117.389 120.400 -0.089 0.000 2.103 97 K HA -0.226 nan 4.320 nan 0.000 0.207 97 K C 1.266 177.761 176.600 -0.175 0.000 1.048 97 K CA 1.660 57.856 56.287 -0.152 0.000 0.930 97 K CB -0.109 32.308 32.500 -0.139 0.000 0.716 97 K HN -0.421 7.787 8.250 -0.070 0.000 0.444 98 E N -1.975 118.109 120.200 -0.193 0.000 2.152 98 E HA -0.192 nan 4.350 nan 0.000 0.192 98 E C 0.090 176.300 176.600 -0.650 0.000 0.983 98 E CA 2.208 58.369 56.400 -0.399 0.000 0.818 98 E CB 0.944 30.388 29.700 -0.427 0.000 0.758 98 E HN -0.647 7.634 8.360 -0.132 0.000 0.467 99 F N -3.148 116.668 119.950 -0.224 0.000 2.531 99 F HA 0.472 nan 4.527 nan 0.000 0.333 99 F C -2.417 173.058 175.800 -0.542 0.000 1.292 99 F CA -2.913 54.818 58.000 -0.448 0.000 1.184 99 F CB -0.174 38.424 39.000 -0.671 0.000 1.426 99 F HN -0.549 7.656 8.300 -0.015 0.086 0.559 100 P HA -0.152 nan 4.420 nan 0.000 0.225 100 P C -0.328 176.927 177.300 -0.076 0.000 1.148 100 P CA 1.587 64.570 63.100 -0.194 0.000 0.779 100 P CB -0.318 31.310 31.700 -0.120 0.000 0.780 101 W N -6.035 115.296 121.300 0.051 0.000 2.584 101 W HA -0.067 nan 4.660 nan 0.000 0.264 101 W C -0.663 175.927 176.519 0.118 0.000 1.264 101 W CA -1.487 55.894 57.345 0.059 0.000 1.306 101 W CB -0.335 29.145 29.460 0.033 0.000 1.110 101 W HN -0.582 7.485 8.180 -0.093 0.057 0.606 102 I N 2.564 122.995 120.570 -0.232 0.000 2.588 102 I HA -0.043 nan 4.170 nan 0.000 0.283 102 I C -0.495 175.693 176.117 0.117 0.000 1.119 102 I CA -0.306 60.941 61.300 -0.088 0.000 1.419 102 I CB 1.293 38.979 38.000 -0.523 0.000 1.394 102 I HN -0.727 7.069 8.210 -0.690 0.000 0.562 103 S N 7.396 123.177 115.700 0.135 0.000 2.584 103 S HA 0.069 nan 4.470 nan 0.000 0.270 103 S C 1.404 175.915 174.600 -0.148 0.000 1.346 103 S CA 0.074 58.296 58.200 0.036 0.000 1.018 103 S CB 0.836 64.038 63.200 0.004 0.000 0.899 103 S HN 0.060 8.812 8.310 0.236 -0.300 0.542 104 S N 4.828 120.396 115.700 -0.220 0.000 2.359 104 S HA -0.424 nan 4.470 nan 0.000 0.223 104 S C 2.019 176.198 174.600 -0.701 0.000 1.039 104 S CA 3.942 61.771 58.200 -0.619 0.000 1.042 104 S CB -0.398 62.529 63.200 -0.455 0.000 0.915 104 S HN 0.200 8.771 8.310 -0.084 -0.311 0.439 105 G N -0.445 108.208 108.800 -0.246 0.000 2.422 105 G HA2 -0.322 nan 3.960 nan 0.000 0.218 105 G HA3 -0.322 nan 3.960 nan 0.000 0.218 105 G C 0.855 175.782 174.900 0.046 0.000 1.146 105 G CA 1.861 46.952 45.100 -0.016 0.000 0.769 105 G HN -0.152 8.028 8.290 -0.183 0.000 0.547 106 D N 2.327 122.752 120.400 0.042 0.000 2.144 106 D HA -0.159 nan 4.640 nan 0.000 0.199 106 D C 2.120 178.516 176.300 0.160 0.000 0.984 106 D CA 3.103 57.269 54.000 0.276 0.000 0.834 106 D CB -0.161 40.858 40.800 0.365 0.000 0.955 106 D HN -0.737 7.619 8.370 -0.024 0.000 0.465 107 L N 0.395 121.527 121.223 -0.151 0.000 2.044 107 L HA -0.240 nan 4.340 nan 0.000 0.205 107 L C 1.497 178.336 176.870 -0.052 0.000 1.075 107 L CA 3.343 58.028 54.840 -0.258 0.000 0.747 107 L CB -0.178 41.525 42.059 -0.593 0.000 0.903 107 L HN -0.358 7.617 8.230 -0.279 0.087 0.435 108 F N -2.187 117.758 119.950 -0.008 0.000 2.095 108 F HA -0.392 nan 4.527 nan 0.000 0.298 108 F C 2.301 178.123 175.800 0.038 0.000 1.104 108 F CA 1.956 59.976 58.000 0.034 0.000 1.232 108 F CB -1.246 37.794 39.000 0.068 0.000 0.987 108 F HN 0.387 8.458 8.300 -0.381 0.000 0.475 109 S N -0.695 115.174 115.700 0.281 0.000 2.387 109 S HA -0.298 nan 4.470 nan 0.000 0.226 109 S C 2.224 176.908 174.600 0.139 0.000 1.026 109 S CA 3.165 61.505 58.200 0.233 0.000 0.972 109 S CB 0.348 63.747 63.200 0.332 0.000 0.814 109 S HN -0.258 8.223 8.310 0.285 0.000 0.477 110 L N 2.740 123.960 121.223 -0.006 0.000 2.141 110 L HA -0.170 nan 4.340 nan 0.000 0.209 110 L C 1.561 178.290 176.870 -0.236 0.000 1.094 110 L CA 2.019 56.610 54.840 -0.415 0.000 0.763 110 L CB -0.523 41.116 42.059 -0.700 0.000 0.908 110 L HN -0.001 8.298 8.230 0.115 0.000 0.437 111 G N -1.983 106.759 108.800 -0.096 0.000 2.469 111 G HA2 -0.447 nan 3.960 nan 0.000 0.219 111 G HA3 -0.447 nan 3.960 nan 0.000 0.219 111 G C 0.979 175.873 174.900 -0.009 0.000 1.150 111 G CA 2.601 47.671 45.100 -0.050 0.000 0.763 111 G HN 0.428 8.695 8.290 -0.039 0.000 0.561 112 G N 0.852 109.707 108.800 0.093 0.000 2.421 112 G HA2 -0.308 nan 3.960 nan 0.000 0.216 112 G HA3 -0.308 nan 3.960 nan 0.000 0.216 112 G C 1.031 176.096 174.900 0.274 0.000 1.171 112 G CA 1.813 47.063 45.100 0.250 0.000 0.775 112 G HN -0.664 7.686 8.290 0.099 0.000 0.543 113 V N 2.690 122.721 119.914 0.195 0.000 2.295 113 V HA -0.471 nan 4.120 nan 0.000 0.246 113 V C 2.319 178.445 176.094 0.054 0.000 1.049 113 V CA 4.371 66.779 62.300 0.181 0.000 1.024 113 V CB -0.806 31.099 31.823 0.137 0.000 0.648 113 V HN -0.396 7.863 8.190 0.113 0.000 0.447 114 T N 0.911 115.378 114.554 -0.145 0.000 2.684 114 T HA -0.369 nan 4.350 nan 0.000 0.267 114 T C 1.385 175.935 174.700 -0.250 0.000 1.036 114 T CA 4.956 66.788 62.100 -0.447 0.000 1.148 114 T CB -0.702 67.730 68.868 -0.727 0.000 0.863 114 T HN 0.066 8.195 8.240 -0.185 0.000 0.436 115 A N 0.865 123.599 122.820 -0.142 0.000 1.892 115 A HA -0.283 nan 4.320 nan 0.000 0.218 115 A C 1.753 179.286 177.584 -0.085 0.000 1.188 115 A CA 3.323 55.307 52.037 -0.089 0.000 0.631 115 A CB -0.877 18.097 19.000 -0.043 0.000 0.822 115 A HN -0.067 8.012 8.150 -0.119 0.000 0.447 116 V N -1.198 118.647 119.914 -0.115 0.000 2.343 116 V HA -0.519 nan 4.120 nan 0.000 0.247 116 V C 2.442 178.379 176.094 -0.261 0.000 1.051 116 V CA 4.558 66.682 62.300 -0.295 0.000 1.036 116 V CB -0.952 30.596 31.823 -0.459 0.000 0.654 116 V HN -0.214 7.943 8.190 -0.054 0.000 0.451 117 Q N -2.039 117.694 119.800 -0.111 0.000 2.172 117 Q HA -0.275 nan 4.340 nan 0.000 0.200 117 Q C 3.212 179.225 176.000 0.021 0.000 0.964 117 Q CA 3.012 58.800 55.803 -0.026 0.000 0.855 117 Q CB -0.193 28.635 28.738 0.150 0.000 0.918 117 Q HN -0.188 8.048 8.270 -0.056 0.000 0.444 118 E N 0.071 120.276 120.200 0.009 0.000 2.208 118 E HA -0.179 nan 4.350 nan 0.000 0.193 118 E C 1.268 177.883 176.600 0.025 0.000 0.988 118 E CA 1.711 58.125 56.400 0.023 0.000 0.828 118 E CB -0.124 29.563 29.700 -0.022 0.000 0.763 118 E HN -0.156 8.184 8.360 -0.034 0.000 0.478 119 M N -1.133 118.470 119.600 0.007 0.000 2.752 119 M HA 0.033 nan 4.480 nan 0.000 0.216 119 M C -1.311 175.034 176.300 0.075 0.000 1.261 119 M CA 0.389 55.717 55.300 0.047 0.000 1.020 119 M CB -0.630 32.007 32.600 0.062 0.000 1.686 119 M HN -0.257 8.016 8.290 -0.028 0.000 0.447 120 Q N -5.390 114.443 119.800 0.056 0.000 2.481 120 Q HA -0.413 nan 4.340 nan 0.000 0.258 120 Q C -0.150 175.883 176.000 0.055 0.000 0.961 120 Q CA 0.916 56.771 55.803 0.088 0.000 1.121 120 Q CB -3.145 25.681 28.738 0.146 0.000 1.503 120 Q HN -0.072 8.103 8.270 0.043 0.120 0.544 121 G N 0.852 109.545 108.800 -0.178 0.000 2.535 121 G HA2 0.210 nan 3.960 nan 0.000 0.282 121 G HA3 0.210 nan 3.960 nan 0.000 0.282 121 G C -2.218 172.306 174.900 -0.627 0.000 1.350 121 G CA -1.228 43.481 45.100 -0.652 0.000 1.039 121 G HN -0.160 7.988 8.290 -0.171 0.039 0.509 122 P HA -0.006 nan 4.420 nan 0.000 0.274 122 P C -1.089 176.080 177.300 -0.218 0.000 1.237 122 P CA -0.615 62.227 63.100 -0.429 0.000 0.793 122 P CB 0.850 32.290 31.700 -0.433 0.000 0.977 123 K N -0.211 120.147 120.400 -0.071 0.000 2.402 123 K HA -0.052 nan 4.320 nan 0.000 0.285 123 K C -0.119 176.491 176.600 0.015 0.000 1.054 123 K CA -0.542 55.745 56.287 -0.001 0.000 1.001 123 K CB -0.535 31.977 32.500 0.021 0.000 0.946 123 K HN 0.246 8.472 8.250 -0.039 0.000 0.473 124 I N 6.697 127.310 120.570 0.072 0.000 2.291 124 I HA 0.135 nan 4.170 nan 0.000 0.292 124 I C -1.609 174.588 176.117 0.133 0.000 1.064 124 I CA -4.766 56.605 61.300 0.118 0.000 1.269 124 I CB -1.968 36.169 38.000 0.228 0.000 1.418 124 I HN -0.383 8.086 8.210 0.099 -0.200 0.485 125 P HA -0.113 nan 4.420 nan 0.000 0.261 125 P C -2.181 175.185 177.300 0.110 0.000 1.173 125 P CA 0.204 63.326 63.100 0.037 0.000 0.760 125 P CB 0.087 31.757 31.700 -0.050 0.000 0.783 126 W N 6.745 127.997 121.300 -0.080 0.000 2.736 126 W HA 0.254 nan 4.660 nan 0.000 0.335 126 W C -2.618 173.783 176.519 -0.196 0.000 1.059 126 W CA -1.504 55.807 57.345 -0.055 0.000 1.226 126 W CB 3.810 33.374 29.460 0.174 0.000 1.416 126 W HN 0.695 9.002 8.180 0.211 0.000 0.505 127 R N 3.070 122.943 120.500 -1.044 0.000 2.637 127 R HA 0.538 nan 4.340 nan 0.000 0.291 127 R C -1.352 174.002 176.300 -1.577 0.000 0.963 127 R CA -1.626 53.778 56.100 -1.160 0.000 0.901 127 R CB 3.765 33.431 30.300 -1.058 0.000 1.160 127 R HN 0.224 7.777 8.270 -1.195 0.000 0.457 128 C N -2.164 116.409 119.300 -1.211 0.000 2.328 128 C HA 0.670 nan 4.460 nan 0.000 0.378 128 C C 0.279 175.121 174.990 -0.247 0.000 1.249 128 C CA -2.968 55.532 59.018 -0.863 0.000 2.204 128 C CB 1.582 28.939 27.740 -0.639 0.000 2.218 128 C HN 0.517 8.141 8.230 -1.010 0.000 0.564 129 G N -0.182 108.595 108.800 -0.040 0.000 2.318 129 G HA2 -0.146 nan 3.960 nan 0.000 0.172 129 G HA3 -0.146 nan 3.960 nan 0.000 0.172 129 G C -0.775 174.109 174.900 -0.026 0.000 1.002 129 G CA -0.251 44.872 45.100 0.039 0.000 0.697 129 G HN 0.276 8.937 8.290 0.028 -0.354 0.483 130 R N 0.760 121.195 120.500 -0.109 0.000 2.623 130 R HA -0.028 nan 4.340 nan 0.000 0.271 130 R C -0.969 175.064 176.300 -0.445 0.000 1.043 130 R CA 1.028 56.885 56.100 -0.405 0.000 1.083 130 R CB 0.862 31.003 30.300 -0.265 0.000 0.974 130 R HN -0.478 7.992 8.270 -0.069 -0.242 0.436 131 V N 3.277 122.685 119.914 -0.843 0.000 2.540 131 V HA 0.084 nan 4.120 nan 0.000 0.302 131 V C -1.079 174.806 176.094 -0.348 0.000 1.035 131 V CA -1.649 60.411 62.300 -0.401 0.000 0.873 131 V CB 2.287 33.981 31.823 -0.216 0.000 0.992 131 V HN 0.049 7.139 8.190 -1.832 0.000 0.428 132 D N 5.300 125.622 120.400 -0.130 0.000 2.458 132 D HA 0.020 nan 4.640 nan 0.000 0.243 132 D C 0.419 176.749 176.300 0.051 0.000 1.146 132 D CA 0.971 54.949 54.000 -0.037 0.000 0.877 132 D CB 0.674 41.476 40.800 0.003 0.000 1.176 132 D HN 0.150 8.471 8.370 -0.082 0.000 0.461 133 T N 1.556 116.190 114.554 0.133 0.000 2.942 133 T HA 0.500 nan 4.350 nan 0.000 0.289 133 T C -1.985 172.880 174.700 0.276 0.000 1.044 133 T CA -3.222 58.994 62.100 0.194 0.000 1.023 133 T CB 0.716 69.712 68.868 0.214 0.000 1.123 133 T HN -0.206 8.119 8.240 0.141 0.000 0.512 134 P HA 0.151 nan 4.420 nan 0.000 0.270 134 P C 0.788 177.965 177.300 -0.205 0.000 1.223 134 P CA -0.900 62.248 63.100 0.081 0.000 0.785 134 P CB 0.695 32.409 31.700 0.023 0.000 0.923 135 E N 1.467 121.221 120.200 -0.743 0.000 2.273 135 E HA -0.380 nan 4.350 nan 0.000 0.198 135 E C 1.414 177.681 176.600 -0.555 0.000 1.002 135 E CA 3.404 58.966 56.400 -1.397 0.000 0.828 135 E CB -0.167 28.837 29.700 -1.158 0.000 0.747 135 E HN 0.529 8.590 8.360 -0.498 0.000 0.491 136 D N -5.198 115.039 120.400 -0.273 0.000 2.363 136 D HA -0.110 nan 4.640 nan 0.000 0.226 136 D C 0.997 177.264 176.300 -0.055 0.000 1.020 136 D CA 1.116 55.037 54.000 -0.131 0.000 0.892 136 D CB -0.938 39.815 40.800 -0.079 0.000 0.900 136 D HN 0.095 8.291 8.370 -0.242 0.029 0.531 137 T N -3.957 110.581 114.554 -0.026 0.000 3.105 137 T HA 0.147 nan 4.350 nan 0.000 0.253 137 T C 0.677 175.436 174.700 0.098 0.000 1.047 137 T CA -0.651 61.486 62.100 0.063 0.000 0.944 137 T CB 0.463 69.405 68.868 0.123 0.000 1.016 137 T HN -0.411 7.632 8.240 -0.069 0.156 0.544 138 T N 7.981 122.575 114.554 0.066 0.000 2.784 138 T HA 0.202 nan 4.350 nan 0.000 0.291 138 T C -1.682 173.081 174.700 0.105 0.000 0.942 138 T CA -0.280 61.902 62.100 0.137 0.000 1.161 138 T CB -0.373 68.564 68.868 0.116 0.000 0.885 138 T HN -0.644 7.496 8.240 -0.026 0.085 0.534 139 P HA 0.005 nan 4.420 nan 0.000 0.268 139 P C -1.518 175.827 177.300 0.074 0.000 1.205 139 P CA -0.682 62.471 63.100 0.088 0.000 0.771 139 P CB 0.622 32.377 31.700 0.091 0.000 0.858 140 D N 1.499 121.932 120.400 0.055 0.000 2.382 140 D HA -0.145 nan 4.640 nan 0.000 0.240 140 D C 0.362 176.696 176.300 0.056 0.000 1.146 140 D CA 0.654 54.684 54.000 0.050 0.000 0.897 140 D CB 0.663 41.486 40.800 0.038 0.000 1.197 140 D HN 0.114 8.512 8.370 0.047 0.000 0.432 141 N N 0.001 118.735 118.700 0.058 0.000 2.344 141 N HA -0.242 nan 4.740 nan 0.000 0.236 141 N C 1.111 176.656 175.510 0.058 0.000 1.279 141 N CA 1.206 54.291 53.050 0.059 0.000 0.882 141 N CB 0.030 38.552 38.487 0.058 0.000 1.110 141 N HN 0.301 8.715 8.380 0.057 0.000 0.436 142 G N -0.027 108.811 108.800 0.063 0.000 2.184 142 G HA2 -0.223 nan 3.960 nan 0.000 0.206 142 G HA3 -0.223 nan 3.960 nan 0.000 0.206 142 G C 0.020 174.978 174.900 0.096 0.000 0.995 142 G CA 0.134 45.280 45.100 0.077 0.000 0.651 142 G HN 0.403 8.729 8.290 0.060 0.000 0.511 143 R N -1.218 119.333 120.500 0.085 0.000 2.300 143 R HA 0.015 nan 4.340 nan 0.000 0.199 143 R C -0.323 176.103 176.300 0.209 0.000 0.920 143 R CA 0.002 56.169 56.100 0.111 0.000 1.046 143 R CB 0.536 30.866 30.300 0.049 0.000 0.984 143 R HN -0.047 8.261 8.270 0.063 0.000 0.493 144 L N -0.544 120.748 121.223 0.116 0.000 2.360 144 L HA 0.327 nan 4.340 nan 0.000 0.271 144 L C -1.842 175.019 176.870 -0.014 0.000 1.057 144 L CA -3.000 51.860 54.840 0.033 0.000 0.803 144 L CB 0.345 42.292 42.059 -0.187 0.000 1.207 144 L HN -0.367 7.845 8.230 0.081 0.067 0.445 145 P HA 0.065 nan 4.420 nan 0.000 0.278 145 P C -1.532 175.754 177.300 -0.024 0.000 1.238 145 P CA -0.801 62.076 63.100 -0.371 0.000 0.794 145 P CB 0.556 31.667 31.700 -0.982 0.000 0.955 146 D N 3.931 124.356 120.400 0.041 0.000 2.341 146 D HA 0.051 nan 4.640 nan 0.000 0.245 146 D C 0.319 176.582 176.300 -0.061 0.000 1.106 146 D CA 0.068 54.042 54.000 -0.043 0.000 0.905 146 D CB 0.770 41.467 40.800 -0.171 0.000 1.202 146 D HN -0.087 8.407 8.370 0.206 0.000 0.426 147 A N 0.211 123.038 122.820 0.011 0.000 2.081 147 A HA 0.005 nan 4.320 nan 0.000 0.214 147 A C -0.607 176.971 177.584 -0.011 0.000 1.158 147 A CA 1.646 53.670 52.037 -0.021 0.000 0.724 147 A CB 0.438 19.340 19.000 -0.163 0.000 0.826 147 A HN 0.231 8.428 8.150 0.078 0.000 0.463 148 D N -4.352 116.068 120.400 0.033 0.000 3.032 148 D HA -0.019 nan 4.640 nan 0.000 0.241 148 D C -0.992 175.293 176.300 -0.024 0.000 1.196 148 D CA -0.453 53.584 54.000 0.062 0.000 0.927 148 D CB -1.823 39.032 40.800 0.091 0.000 1.129 148 D HN -0.017 8.375 8.370 0.036 0.000 0.458 149 K N -0.889 119.489 120.400 -0.037 0.000 2.507 149 K HA 0.209 nan 4.320 nan 0.000 0.284 149 K C -2.069 174.581 176.600 0.082 0.000 1.038 149 K CA -1.457 54.790 56.287 -0.067 0.000 0.903 149 K CB 3.246 35.481 32.500 -0.442 0.000 1.531 149 K HN -0.399 7.814 8.250 0.013 0.045 0.430 150 D N -3.701 116.787 120.400 0.148 0.000 2.494 150 D HA 0.133 nan 4.640 nan 0.000 0.259 150 D C 0.263 176.720 176.300 0.261 0.000 1.109 150 D CA -1.409 52.707 54.000 0.193 0.000 1.040 150 D CB 2.287 43.186 40.800 0.165 0.000 1.175 150 D HN 0.000 8.453 8.370 0.138 0.000 0.584 151 A N -2.154 120.809 122.820 0.239 0.000 2.076 151 A HA -0.213 nan 4.320 nan 0.000 0.220 151 A C 1.706 179.457 177.584 0.278 0.000 1.160 151 A CA 2.950 55.179 52.037 0.320 0.000 0.653 151 A CB -0.171 18.981 19.000 0.254 0.000 0.801 151 A HN 0.312 8.577 8.150 0.191 0.000 0.455 152 G N -3.419 105.507 108.800 0.209 0.000 2.453 152 G HA2 -0.178 nan 3.960 nan 0.000 0.215 152 G HA3 -0.178 nan 3.960 nan 0.000 0.215 152 G C 0.414 175.455 174.900 0.235 0.000 1.147 152 G CA 1.045 46.248 45.100 0.172 0.000 0.802 152 G HN -0.546 8.011 8.290 0.190 -0.153 0.535 153 Y N 3.323 123.726 120.300 0.171 0.000 2.097 153 Y HA -0.461 nan 4.550 nan 0.000 0.282 153 Y C 1.465 177.533 175.900 0.280 0.000 1.152 153 Y CA 3.896 62.114 58.100 0.196 0.000 1.136 153 Y CB 0.168 38.726 38.460 0.164 0.000 0.975 153 Y HN -0.779 7.908 8.280 0.378 -0.180 0.498 154 V N -1.034 119.149 119.914 0.448 0.000 2.282 154 V HA -0.573 nan 4.120 nan 0.000 0.249 154 V C 2.118 178.517 176.094 0.509 0.000 1.057 154 V CA 4.522 67.109 62.300 0.479 0.000 1.032 154 V CB -1.133 30.955 31.823 0.441 0.000 0.645 154 V HN -0.143 8.362 8.190 0.523 0.000 0.447 155 R N -1.892 118.857 120.500 0.415 0.000 2.073 155 R HA -0.389 nan 4.340 nan 0.000 0.234 155 R C 2.036 178.473 176.300 0.228 0.000 1.134 155 R CA 3.829 60.128 56.100 0.333 0.000 0.952 155 R CB -0.147 30.262 30.300 0.180 0.000 0.850 155 R HN -0.318 8.197 8.270 0.408 0.000 0.433 156 T N 1.725 116.364 114.554 0.142 0.000 2.746 156 T HA -0.269 nan 4.350 nan 0.000 0.267 156 T C 1.943 176.640 174.700 -0.005 0.000 1.039 156 T CA 4.770 66.903 62.100 0.056 0.000 1.142 156 T CB -0.552 68.333 68.868 0.029 0.000 0.866 156 T HN -0.610 7.717 8.240 0.145 0.000 0.444 157 F N 2.698 122.540 119.950 -0.180 0.000 2.075 157 F HA -0.422 nan 4.527 nan 0.000 0.297 157 F C 1.347 177.050 175.800 -0.162 0.000 1.113 157 F CA 3.482 61.312 58.000 -0.282 0.000 1.218 157 F CB 0.337 39.032 39.000 -0.507 0.000 0.984 157 F HN 0.058 8.371 8.300 0.022 0.000 0.472 158 F N -1.452 118.556 119.950 0.095 0.000 2.546 158 F HA -0.307 nan 4.527 nan 0.000 0.298 158 F C 1.628 177.421 175.800 -0.012 0.000 1.120 158 F CA 3.375 61.419 58.000 0.073 0.000 1.456 158 F CB -0.354 38.774 39.000 0.213 0.000 1.088 158 F HN -0.109 8.516 8.300 0.541 0.000 0.572 159 Q N 0.380 120.242 119.800 0.102 0.000 2.167 159 Q HA -0.362 nan 4.340 nan 0.000 0.202 159 Q C 1.997 177.944 176.000 -0.088 0.000 0.970 159 Q CA 3.248 59.070 55.803 0.033 0.000 0.855 159 Q CB -0.445 28.313 28.738 0.033 0.000 0.911 159 Q HN -0.197 8.127 8.270 0.136 0.027 0.438 160 R N -1.162 119.198 120.500 -0.233 0.000 2.193 160 R HA -0.196 nan 4.340 nan 0.000 0.229 160 R C 0.912 177.012 176.300 -0.334 0.000 1.110 160 R CA 3.062 58.945 56.100 -0.361 0.000 0.988 160 R CB 0.012 30.037 30.300 -0.459 0.000 0.871 160 R HN -0.393 7.596 8.270 -0.292 0.105 0.458 161 L N -2.740 118.421 121.223 -0.103 0.000 2.818 161 L HA 0.116 nan 4.340 nan 0.000 0.243 161 L C -0.841 176.231 176.870 0.336 0.000 1.185 161 L CA -1.108 53.886 54.840 0.256 0.000 0.988 161 L CB -0.750 41.468 42.059 0.264 0.000 1.292 161 L HN -0.859 7.133 8.230 -0.134 0.157 0.519 162 N N -0.862 117.944 118.700 0.177 0.000 2.823 162 N HA -0.442 nan 4.740 nan 0.000 0.287 162 N C -1.037 174.575 175.510 0.170 0.000 1.007 162 N CA 1.228 54.370 53.050 0.153 0.000 0.840 162 N CB -1.512 37.050 38.487 0.124 0.000 0.944 162 N HN -0.360 7.957 8.380 0.043 0.089 0.590 163 M N -0.397 119.327 119.600 0.207 0.000 2.157 163 M HA 0.168 nan 4.480 nan 0.000 0.354 163 M C -0.430 175.961 176.300 0.153 0.000 1.170 163 M CA -1.707 53.708 55.300 0.192 0.000 1.060 163 M CB -0.084 32.690 32.600 0.289 0.000 1.615 163 M HN 0.080 8.490 8.290 0.234 0.021 0.460 164 N N 4.531 123.296 118.700 0.107 0.000 2.443 164 N HA 0.095 nan 4.740 nan 0.000 0.294 164 N C 0.003 175.579 175.510 0.111 0.000 1.289 164 N CA -0.961 52.150 53.050 0.102 0.000 0.966 164 N CB 0.542 39.074 38.487 0.075 0.000 1.122 164 N HN 0.383 9.112 8.380 0.092 -0.293 0.569 165 D N -0.148 120.329 120.400 0.129 0.000 2.097 165 D HA -0.258 nan 4.640 nan 0.000 0.195 165 D C 2.417 178.811 176.300 0.156 0.000 0.989 165 D CA 4.274 58.404 54.000 0.217 0.000 0.827 165 D CB -0.272 40.627 40.800 0.164 0.000 0.966 165 D HN 0.329 8.758 8.370 0.098 0.000 0.456 166 R N -0.445 120.115 120.500 0.100 0.000 2.081 166 R HA -0.343 nan 4.340 nan 0.000 0.235 166 R C 1.984 178.356 176.300 0.120 0.000 1.131 166 R CA 3.044 59.203 56.100 0.098 0.000 0.960 166 R CB -0.230 30.120 30.300 0.084 0.000 0.856 166 R HN -0.008 8.375 8.270 0.087 -0.061 0.436 167 E N -0.210 120.033 120.200 0.071 0.000 2.077 167 E HA -0.353 nan 4.350 nan 0.000 0.193 167 E C 2.648 179.205 176.600 -0.072 0.000 0.989 167 E CA 3.220 59.637 56.400 0.028 0.000 0.800 167 E CB -0.132 29.586 29.700 0.029 0.000 0.746 167 E HN -0.576 8.083 8.360 0.070 -0.258 0.452 168 V N 0.495 120.304 119.914 -0.175 0.000 2.295 168 V HA -0.354 nan 4.120 nan 0.000 0.246 168 V C 2.123 178.011 176.094 -0.343 0.000 1.049 168 V CA 4.536 66.544 62.300 -0.487 0.000 1.024 168 V CB -0.916 30.613 31.823 -0.491 0.000 0.648 168 V HN 0.169 8.309 8.190 -0.082 0.000 0.447 169 V N -1.103 118.727 119.914 -0.140 0.000 2.307 169 V HA -0.429 nan 4.120 nan 0.000 0.245 169 V C 1.688 177.947 176.094 0.274 0.000 1.045 169 V CA 4.306 66.613 62.300 0.011 0.000 1.024 169 V CB -1.250 30.602 31.823 0.048 0.000 0.651 169 V HN -0.280 7.860 8.190 -0.083 0.000 0.449 170 A N -0.553 122.495 122.820 0.379 0.000 1.873 170 A HA -0.284 nan 4.320 nan 0.000 0.218 170 A C 2.375 180.217 177.584 0.430 0.000 1.193 170 A CA 3.163 55.472 52.037 0.453 0.000 0.629 170 A CB -0.687 18.491 19.000 0.297 0.000 0.826 170 A HN -0.203 8.141 8.150 0.324 0.000 0.447 171 L N -1.712 119.585 121.223 0.122 0.000 2.081 171 L HA -0.302 nan 4.340 nan 0.000 0.212 171 L C 2.474 179.265 176.870 -0.132 0.000 1.080 171 L CA 2.614 57.455 54.840 0.003 0.000 0.754 171 L CB -0.651 41.293 42.059 -0.191 0.000 0.893 171 L HN 0.114 8.360 8.230 0.026 0.000 0.433 172 M N -1.233 118.196 119.600 -0.286 0.000 2.374 172 M HA -0.158 nan 4.480 nan 0.000 0.264 172 M C 2.115 177.859 176.300 -0.927 0.000 1.067 172 M CA 1.550 56.485 55.300 -0.609 0.000 1.103 172 M CB -0.650 31.692 32.600 -0.429 0.000 1.402 172 M HN -0.079 7.986 8.290 -0.197 0.107 0.444 173 G N -2.445 106.046 108.800 -0.514 0.000 2.559 173 G HA2 -0.221 nan 3.960 nan 0.000 0.216 173 G HA3 -0.221 nan 3.960 nan 0.000 0.216 173 G C 0.272 174.734 174.900 -0.731 0.000 1.126 173 G CA 1.247 45.870 45.100 -0.795 0.000 0.778 173 G HN -0.253 7.876 8.290 -0.042 0.135 0.543 174 A N 1.664 124.167 122.820 -0.528 0.000 2.172 174 A HA -0.173 nan 4.320 nan 0.000 0.216 174 A C 1.257 178.499 177.584 -0.571 0.000 1.154 174 A CA 1.777 53.532 52.037 -0.471 0.000 0.701 174 A CB -0.647 18.243 19.000 -0.183 0.000 0.789 174 A HN -0.392 7.521 8.150 -0.327 0.041 0.465 175 H N -1.468 116.974 119.070 -1.045 0.000 2.563 175 H HA -0.239 nan 4.556 nan 0.000 0.272 175 H C 0.213 174.963 175.328 -0.964 0.000 1.005 175 H CA 0.426 55.609 56.048 -1.442 0.000 1.171 175 H CB -0.233 28.283 29.762 -2.076 0.000 1.351 175 H HN -0.303 7.136 8.280 -1.148 0.152 0.602 176 A N -2.197 120.285 122.820 -0.563 0.000 2.125 176 A HA -0.202 nan 4.320 nan 0.000 0.219 176 A C -0.067 177.429 177.584 -0.147 0.000 1.156 176 A CA 1.264 53.133 52.037 -0.279 0.000 0.671 176 A CB 0.170 18.948 19.000 -0.371 0.000 0.794 176 A HN -0.674 6.993 8.150 -0.738 0.040 0.459 177 L N -2.747 118.373 121.223 -0.172 0.000 2.307 177 L HA -0.052 nan 4.340 nan 0.000 0.282 177 L C 0.755 177.688 176.870 0.105 0.000 1.051 177 L CA -0.397 54.425 54.840 -0.030 0.000 0.804 177 L CB 0.532 42.574 42.059 -0.028 0.000 1.197 177 L HN -0.670 7.201 8.230 -0.305 0.176 0.431 178 G N 4.149 113.031 108.800 0.136 0.000 2.552 178 G HA2 -0.393 nan 3.960 nan 0.000 0.265 178 G HA3 -0.393 nan 3.960 nan 0.000 0.265 178 G C -2.484 172.560 174.900 0.240 0.000 1.234 178 G CA 0.610 45.820 45.100 0.183 0.000 0.944 178 G HN 0.736 8.961 8.290 0.094 0.121 0.568 179 K N -2.407 118.098 120.400 0.176 0.000 2.615 179 K HA 0.517 nan 4.320 nan 0.000 0.291 179 K C -1.932 174.437 176.600 -0.385 0.000 1.017 179 K CA -1.629 54.560 56.287 -0.162 0.000 0.882 179 K CB 3.013 35.340 32.500 -0.288 0.000 1.522 179 K HN -0.264 8.121 8.250 0.224 0.000 0.412 180 T N -3.369 110.800 114.554 -0.642 0.000 2.882 180 T HA 0.374 nan 4.350 nan 0.000 0.287 180 T C -0.111 174.290 174.700 -0.498 0.000 1.014 180 T CA -1.340 60.520 62.100 -0.400 0.000 1.049 180 T CB 0.909 69.591 68.868 -0.310 0.000 1.001 180 T HN 0.423 8.150 8.240 -0.854 0.000 0.525 181 H N 0.997 120.060 119.070 -0.013 0.000 2.744 181 H HA 0.377 nan 4.556 nan 0.000 0.339 181 H C -0.217 175.111 175.328 -0.001 0.000 1.004 181 H CA -0.806 55.232 56.048 -0.017 0.000 1.257 181 H CB 1.882 31.637 29.762 -0.012 0.000 1.552 181 H HN 0.281 8.617 8.280 0.092 0.000 0.522 182 L N 5.774 127.033 121.223 0.059 0.000 2.043 182 L HA -0.439 nan 4.340 nan 0.000 0.212 182 L C 0.890 177.777 176.870 0.028 0.000 1.075 182 L CA 4.023 58.873 54.840 0.017 0.000 0.752 182 L CB 0.255 42.305 42.059 -0.016 0.000 0.891 182 L HN 0.190 8.762 8.230 0.025 -0.327 0.432 183 K N -2.518 117.909 120.400 0.046 0.000 2.209 183 K HA -0.313 nan 4.320 nan 0.000 0.204 183 K C 1.006 177.632 176.600 0.045 0.000 1.048 183 K CA 2.559 58.865 56.287 0.033 0.000 0.940 183 K CB -0.408 32.107 32.500 0.025 0.000 0.729 183 K HN 0.230 8.513 8.250 0.056 0.000 0.451 184 N N -2.565 116.184 118.700 0.081 0.000 2.182 184 N HA -0.054 nan 4.740 nan 0.000 0.186 184 N C 1.092 176.664 175.510 0.103 0.000 1.036 184 N CA 2.206 55.306 53.050 0.084 0.000 0.850 184 N CB 0.570 39.122 38.487 0.109 0.000 1.010 184 N HN -0.344 7.972 8.380 0.122 0.137 0.432 185 S N -3.429 112.357 115.700 0.143 0.000 2.559 185 S HA 0.151 nan 4.470 nan 0.000 0.226 185 S C 0.524 175.191 174.600 0.112 0.000 1.000 185 S CA -0.319 57.992 58.200 0.184 0.000 0.948 185 S CB 1.799 65.177 63.200 0.297 0.000 0.870 185 S HN -0.520 7.889 8.310 0.164 0.000 0.497 186 G N 0.761 109.548 108.800 -0.022 0.000 2.148 186 G HA2 -0.375 nan 3.960 nan 0.000 0.254 186 G HA3 -0.375 nan 3.960 nan 0.000 0.254 186 G C -1.401 173.199 174.900 -0.499 0.000 0.981 186 G CA 0.746 45.701 45.100 -0.241 0.000 0.670 186 G HN -0.256 8.042 8.290 0.014 0.000 0.528 187 Y N -2.534 117.753 120.300 -0.022 0.000 2.536 187 Y HA 0.255 nan 4.550 nan 0.000 0.347 187 Y C -1.733 174.101 175.900 -0.110 0.000 1.000 187 Y CA -1.977 56.084 58.100 -0.066 0.000 1.051 187 Y CB 2.918 41.333 38.460 -0.074 0.000 1.259 187 Y HN -0.890 7.396 8.280 0.089 0.047 0.468 188 E N 1.349 121.551 120.200 0.004 0.000 2.263 188 E HA 0.229 nan 4.350 nan 0.000 0.268 188 E C -1.349 175.166 176.600 -0.142 0.000 0.884 188 E CA -1.443 54.905 56.400 -0.087 0.000 0.766 188 E CB 3.156 32.816 29.700 -0.065 0.000 1.196 188 E HN 0.066 8.727 8.360 0.039 -0.278 0.416 189 G N 4.245 112.906 108.800 -0.232 0.000 2.335 189 G HA2 -0.133 nan 3.960 nan 0.000 0.592 189 G HA3 -0.133 nan 3.960 nan 0.000 0.592 189 G C -3.271 171.397 174.900 -0.388 0.000 1.442 189 G CA -0.619 44.343 45.100 -0.231 0.000 0.976 189 G HN -0.327 7.791 8.290 -0.287 0.000 0.652 190 P HA 0.501 nan 4.420 nan 0.000 0.278 190 P C -0.123 177.051 177.300 -0.211 0.000 1.266 190 P CA -1.099 61.869 63.100 -0.220 0.000 0.807 190 P CB 1.343 33.024 31.700 -0.031 0.000 1.094 191 W N -1.411 119.858 121.300 -0.052 0.000 3.077 191 W HA 0.113 nan 4.660 nan 0.000 0.266 191 W C -0.390 175.973 176.519 -0.260 0.000 1.300 191 W CA 1.074 58.394 57.345 -0.040 0.000 1.586 191 W CB 1.169 30.628 29.460 -0.002 0.000 1.103 191 W HN 0.254 8.619 8.180 0.308 0.000 0.652 192 G N -5.339 103.287 108.800 -0.291 0.000 2.488 192 G HA2 0.180 nan 3.960 nan 0.000 0.301 192 G HA3 0.180 nan 3.960 nan 0.000 0.301 192 G C -1.871 172.736 174.900 -0.488 0.000 1.339 192 G CA -0.171 44.432 45.100 -0.827 0.000 0.803 192 G HN -0.886 7.301 8.290 -0.091 0.049 0.482 193 A N -0.778 121.853 122.820 -0.315 0.000 1.874 193 A HA 0.040 nan 4.320 nan 0.000 0.214 193 A C 0.994 178.584 177.584 0.010 0.000 1.189 193 A CA 1.971 54.014 52.037 0.011 0.000 0.615 193 A CB 0.804 19.868 19.000 0.106 0.000 0.830 193 A HN 0.117 8.232 8.150 -0.438 -0.228 0.443 194 A N -0.533 122.279 122.820 -0.014 0.000 3.118 194 A HA 0.177 nan 4.320 nan 0.000 0.256 194 A C -1.268 176.319 177.584 0.005 0.000 1.667 194 A CA -1.280 50.763 52.037 0.010 0.000 1.338 194 A CB -1.788 17.220 19.000 0.013 0.000 1.127 194 A HN -0.450 7.933 8.150 -0.044 -0.260 0.634 195 N N -1.801 116.909 118.700 0.018 0.000 2.471 195 N HA -0.192 nan 4.740 nan 0.000 0.205 195 N C -0.947 174.590 175.510 0.045 0.000 1.251 195 N CA 1.236 54.304 53.050 0.030 0.000 0.843 195 N CB -0.263 38.258 38.487 0.056 0.000 1.044 195 N HN -0.370 7.950 8.380 0.022 0.074 0.461 196 N N -3.733 114.996 118.700 0.049 0.000 2.471 196 N HA 0.096 nan 4.740 nan 0.000 0.270 196 N C -1.816 173.737 175.510 0.072 0.000 1.490 196 N CA -0.558 52.529 53.050 0.062 0.000 0.850 196 N CB -0.595 37.933 38.487 0.068 0.000 1.411 196 N HN -0.407 7.924 8.380 0.046 0.077 0.488 197 V N -0.777 119.179 119.914 0.069 0.000 2.686 197 V HA 0.327 nan 4.120 nan 0.000 0.306 197 V C -1.975 174.182 176.094 0.104 0.000 1.065 197 V CA -0.538 61.821 62.300 0.098 0.000 0.894 197 V CB 2.485 34.360 31.823 0.086 0.000 1.004 197 V HN -0.775 7.443 8.190 0.045 0.000 0.424 198 F N 8.589 128.545 119.950 0.010 0.000 2.413 198 F HA 0.177 nan 4.527 nan 0.000 0.359 198 F C -0.964 174.951 175.800 0.193 0.000 1.122 198 F CA 0.293 58.286 58.000 -0.013 0.000 1.160 198 F CB 0.476 39.358 39.000 -0.197 0.000 1.146 198 F HN 0.656 9.114 8.300 0.263 0.000 0.514 199 T N 2.512 117.049 114.554 -0.028 0.000 2.778 199 T HA 0.237 nan 4.350 nan 0.000 0.293 199 T C -1.193 173.548 174.700 0.069 0.000 1.144 199 T CA -2.219 59.977 62.100 0.160 0.000 1.010 199 T CB 2.887 71.795 68.868 0.066 0.000 1.325 199 T HN -0.306 7.754 8.240 -0.300 0.000 0.515 200 N N -2.004 116.749 118.700 0.089 0.000 2.413 200 N HA -0.068 nan 4.740 nan 0.000 0.207 200 N C 0.780 176.246 175.510 -0.073 0.000 1.206 200 N CA 0.137 53.160 53.050 -0.044 0.000 0.832 200 N CB -1.659 36.874 38.487 0.078 0.000 1.037 200 N HN 0.317 8.753 8.380 0.092 0.000 0.467 201 E N 1.286 121.417 120.200 -0.114 0.000 2.118 201 E HA -0.423 nan 4.350 nan 0.000 0.195 201 E C 0.725 177.251 176.600 -0.124 0.000 0.992 201 E CA 3.056 59.401 56.400 -0.093 0.000 0.804 201 E CB -0.169 29.473 29.700 -0.097 0.000 0.741 201 E HN -0.660 7.517 8.360 -0.113 0.115 0.458 202 Y N -0.421 119.613 120.300 -0.444 0.000 2.207 202 Y HA -0.426 nan 4.550 nan 0.000 0.287 202 Y C 1.834 177.472 175.900 -0.436 0.000 1.156 202 Y CA 3.411 61.214 58.100 -0.496 0.000 1.182 202 Y CB -0.154 37.838 38.460 -0.779 0.000 0.979 202 Y HN -0.090 8.013 8.280 -0.295 0.000 0.521 203 Y N -2.709 117.520 120.300 -0.119 0.000 2.184 203 Y HA -0.383 nan 4.550 nan 0.000 0.290 203 Y C 2.026 177.859 175.900 -0.111 0.000 1.129 203 Y CA 3.468 61.467 58.100 -0.167 0.000 1.144 203 Y CB -0.650 37.744 38.460 -0.110 0.000 0.995 203 Y HN -0.711 7.227 8.280 -0.531 0.023 0.513 204 L N -1.116 120.150 121.223 0.072 0.000 2.046 204 L HA -0.563 nan 4.340 nan 0.000 0.208 204 L C 2.196 179.114 176.870 0.079 0.000 1.077 204 L CA 3.112 57.988 54.840 0.060 0.000 0.747 204 L CB -0.663 41.423 42.059 0.045 0.000 0.896 204 L HN -0.685 7.587 8.230 0.071 0.000 0.432 205 N N -1.166 117.585 118.700 0.084 0.000 2.166 205 N HA -0.277 nan 4.740 nan 0.000 0.186 205 N C 2.490 178.267 175.510 0.446 0.000 1.019 205 N CA 2.930 56.129 53.050 0.249 0.000 0.856 205 N CB -0.521 38.138 38.487 0.287 0.000 0.993 205 N HN -0.150 8.244 8.380 0.024 0.000 0.426 206 L N -0.097 121.216 121.223 0.151 0.000 2.056 206 L HA -0.199 nan 4.340 nan 0.000 0.207 206 L C 1.798 178.771 176.870 0.171 0.000 1.078 206 L CA 3.050 57.924 54.840 0.057 0.000 0.749 206 L CB 0.037 41.880 42.059 -0.360 0.000 0.901 206 L HN -0.384 7.814 8.230 -0.053 0.000 0.433 207 L N -3.444 117.839 121.223 0.099 0.000 2.492 207 L HA -0.217 nan 4.340 nan 0.000 0.223 207 L C 1.177 178.107 176.870 0.100 0.000 1.132 207 L CA 1.962 56.849 54.840 0.079 0.000 0.850 207 L CB -0.114 41.965 42.059 0.034 0.000 0.966 207 L HN 0.036 8.304 8.230 0.062 0.000 0.454 208 N N -3.472 115.299 118.700 0.118 0.000 2.257 208 N HA 0.050 nan 4.740 nan 0.000 0.200 208 N C -0.443 175.053 175.510 -0.023 0.000 1.163 208 N CA 0.031 53.111 53.050 0.049 0.000 0.891 208 N CB 1.870 40.380 38.487 0.039 0.000 1.067 208 N HN -0.187 8.186 8.380 0.160 0.103 0.497 209 E N 0.443 120.593 120.200 -0.084 0.000 2.331 209 E HA 0.011 nan 4.350 nan 0.000 0.272 209 E C -0.801 175.494 176.600 -0.508 0.000 1.036 209 E CA -0.290 55.836 56.400 -0.457 0.000 0.864 209 E CB 0.710 29.798 29.700 -1.020 0.000 1.035 209 E HN -0.773 7.646 8.360 0.099 0.000 0.408 210 D N 4.542 124.706 120.400 -0.393 0.000 2.455 210 D HA -0.017 nan 4.640 nan 0.000 0.234 210 D C -1.060 175.097 176.300 -0.238 0.000 1.224 210 D CA -1.117 52.761 54.000 -0.203 0.000 0.999 210 D CB -0.665 40.059 40.800 -0.128 0.000 1.072 210 D HN 0.294 8.455 8.370 -0.347 0.000 0.514 211 W N 2.280 123.675 121.300 0.158 0.000 2.266 211 W HA 0.001 nan 4.660 nan 0.000 0.317 211 W C -0.569 176.114 176.519 0.273 0.000 1.310 211 W CA -0.787 56.696 57.345 0.230 0.000 1.207 211 W CB 0.793 30.436 29.460 0.305 0.000 1.199 211 W HN -0.575 7.623 8.180 0.068 0.023 0.544 212 K N 3.672 124.297 120.400 0.375 0.000 2.323 212 K HA 0.317 nan 4.320 nan 0.000 0.259 212 K C -1.455 175.058 176.600 -0.146 0.000 0.947 212 K CA -1.785 54.584 56.287 0.137 0.000 0.819 212 K CB 3.017 35.537 32.500 0.033 0.000 1.109 212 K HN 0.816 9.160 8.250 0.345 0.113 0.429 213 L N 6.553 127.408 121.223 -0.613 0.000 2.418 213 L HA 0.176 nan 4.340 nan 0.000 0.274 213 L C -0.898 175.681 176.870 -0.485 0.000 1.135 213 L CA 0.620 54.849 54.840 -1.018 0.000 0.870 213 L CB 0.443 41.669 42.059 -1.390 0.000 1.154 213 L HN 0.410 8.354 8.230 -0.478 0.000 0.462 214 E N 6.512 126.488 120.200 -0.374 0.000 2.416 214 E HA 0.372 nan 4.350 nan 0.000 0.273 214 E C -2.042 174.451 176.600 -0.178 0.000 0.935 214 E CA -2.037 54.233 56.400 -0.216 0.000 0.784 214 E CB 3.869 33.487 29.700 -0.137 0.000 1.301 214 E HN 0.774 8.882 8.360 -0.419 0.000 0.454 215 K N 0.717 121.039 120.400 -0.131 0.000 2.174 215 K HA 0.267 nan 4.320 nan 0.000 0.275 215 K C -0.605 175.939 176.600 -0.092 0.000 1.015 215 K CA 0.024 56.247 56.287 -0.107 0.000 0.933 215 K CB 0.856 33.301 32.500 -0.092 0.000 1.025 215 K HN 0.144 8.321 8.250 -0.121 0.000 0.463 216 N N 4.769 123.413 118.700 -0.094 0.000 2.538 216 N HA 0.167 nan 4.740 nan 0.000 0.292 216 N C 0.799 176.255 175.510 -0.090 0.000 1.262 216 N CA -1.026 51.972 53.050 -0.088 0.000 0.976 216 N CB 0.553 38.985 38.487 -0.092 0.000 1.161 216 N HN 0.316 8.633 8.380 -0.105 0.000 0.598 217 D N -1.679 118.673 120.400 -0.080 0.000 2.309 217 D HA -0.217 nan 4.640 nan 0.000 0.212 217 D C 0.126 176.376 176.300 -0.082 0.000 0.968 217 D CA 2.978 56.935 54.000 -0.071 0.000 0.882 217 D CB -0.605 40.161 40.800 -0.057 0.000 0.918 217 D HN 0.541 8.867 8.370 -0.073 0.000 0.503 218 A N -2.375 120.376 122.820 -0.115 0.000 2.278 218 A HA -0.002 nan 4.320 nan 0.000 0.212 218 A C -0.436 177.072 177.584 -0.128 0.000 1.213 218 A CA -0.165 51.796 52.037 -0.127 0.000 0.840 218 A CB 0.258 19.150 19.000 -0.179 0.000 0.866 218 A HN -0.315 7.963 8.150 -0.135 -0.208 0.489 219 N N -5.207 113.425 118.700 -0.114 0.000 2.782 219 N HA -0.483 nan 4.740 nan 0.000 0.251 219 N C -1.458 173.981 175.510 -0.119 0.000 1.101 219 N CA 1.269 54.259 53.050 -0.099 0.000 0.764 219 N CB -1.470 36.972 38.487 -0.075 0.000 1.122 219 N HN 0.026 8.261 8.380 -0.107 0.081 0.561 220 N N -0.438 118.156 118.700 -0.178 0.000 2.466 220 N HA 0.206 nan 4.740 nan 0.000 0.294 220 N C -1.400 174.054 175.510 -0.094 0.000 1.129 220 N CA -0.433 52.505 53.050 -0.186 0.000 0.931 220 N CB 2.071 40.266 38.487 -0.487 0.000 1.193 220 N HN -0.450 8.055 8.380 -0.207 -0.250 0.500 221 E N 0.521 120.718 120.200 -0.005 0.000 2.313 221 E HA 0.249 nan 4.350 nan 0.000 0.272 221 E C -0.892 175.756 176.600 0.081 0.000 1.038 221 E CA -0.034 56.350 56.400 -0.027 0.000 0.863 221 E CB 1.234 30.886 29.700 -0.079 0.000 1.060 221 E HN 0.305 8.682 8.360 0.029 0.000 0.402 222 Q N -1.785 117.981 119.800 -0.057 0.000 2.435 222 Q HA 0.478 nan 4.340 nan 0.000 0.282 222 Q C -1.569 174.298 176.000 -0.223 0.000 1.020 222 Q CA -1.967 53.829 55.803 -0.012 0.000 0.820 222 Q CB 2.946 31.767 28.738 0.138 0.000 1.436 222 Q HN 0.705 8.885 8.270 -0.150 0.000 0.395 223 W N 0.593 121.844 121.300 -0.081 0.000 2.358 223 W HA 0.096 nan 4.660 nan 0.000 0.307 223 W C -0.760 175.877 176.519 0.197 0.000 1.203 223 W CA 0.159 57.469 57.345 -0.058 0.000 1.279 223 W CB 0.381 29.637 29.460 -0.340 0.000 1.264 223 W HN 0.572 8.908 8.180 0.259 0.000 0.474 224 D N 5.340 125.942 120.400 0.336 0.000 2.192 224 D HA 0.731 nan 4.640 nan 0.000 0.246 224 D C -1.036 175.405 176.300 0.235 0.000 1.042 224 D CA -0.864 53.313 54.000 0.294 0.000 0.847 224 D CB 3.131 43.982 40.800 0.085 0.000 1.186 224 D HN 0.680 9.052 8.370 0.160 0.095 0.461 225 S N 1.594 117.318 115.700 0.039 0.000 2.621 225 S HA 0.624 nan 4.470 nan 0.000 0.302 225 S C 1.144 175.589 174.600 -0.259 0.000 1.093 225 S CA -1.910 56.107 58.200 -0.306 0.000 1.017 225 S CB 2.621 65.316 63.200 -0.842 0.000 1.077 225 S HN 0.492 8.878 8.310 0.126 0.000 0.517 226 K N 3.105 123.347 120.400 -0.263 0.000 2.173 226 K HA -0.280 nan 4.320 nan 0.000 0.207 226 K C 1.235 177.667 176.600 -0.280 0.000 1.046 226 K CA 2.544 58.698 56.287 -0.220 0.000 0.929 226 K CB -0.467 31.919 32.500 -0.190 0.000 0.720 226 K HN 0.817 8.908 8.250 -0.265 0.000 0.453 227 S N -2.377 113.064 115.700 -0.431 0.000 2.595 227 S HA -0.092 nan 4.470 nan 0.000 0.235 227 S C 0.874 175.074 174.600 -0.667 0.000 0.974 227 S CA 0.700 58.534 58.200 -0.611 0.000 0.942 227 S CB 0.395 63.003 63.200 -0.987 0.000 0.766 227 S HN -0.466 7.544 8.310 -0.465 0.022 0.536 228 G N -0.452 108.093 108.800 -0.426 0.000 2.157 228 G HA2 -0.384 nan 3.960 nan 0.000 0.239 228 G HA3 -0.384 nan 3.960 nan 0.000 0.239 228 G C -0.985 173.880 174.900 -0.058 0.000 0.982 228 G CA 0.126 45.092 45.100 -0.224 0.000 0.650 228 G HN -0.227 7.783 8.290 -0.336 0.078 0.527 229 Y N -1.150 119.155 120.300 0.008 0.000 2.403 229 Y HA 0.342 nan 4.550 nan 0.000 0.323 229 Y C -1.313 174.734 175.900 0.245 0.000 1.226 229 Y CA -3.138 55.024 58.100 0.104 0.000 1.235 229 Y CB 1.166 39.748 38.460 0.204 0.000 1.248 229 Y HN -0.998 6.981 8.280 -0.420 0.049 0.489 230 M N -1.635 118.178 119.600 0.355 0.000 2.619 230 M HA 0.740 nan 4.480 nan 0.000 0.297 230 M C -1.603 174.685 176.300 -0.021 0.000 1.229 230 M CA -1.502 53.931 55.300 0.222 0.000 0.860 230 M CB 4.044 36.625 32.600 -0.031 0.000 1.741 230 M HN 0.617 9.033 8.290 0.209 0.000 0.462 231 M N -0.794 118.746 119.600 -0.100 0.000 2.395 231 M HA 0.529 nan 4.480 nan 0.000 0.307 231 M C -1.546 174.776 176.300 0.038 0.000 1.091 231 M CA -1.611 53.608 55.300 -0.135 0.000 0.919 231 M CB 3.503 35.805 32.600 -0.497 0.000 1.662 231 M HN 0.876 9.089 8.290 0.050 0.107 0.440 232 L N 2.306 123.583 121.223 0.090 0.000 2.453 232 L HA 0.185 nan 4.340 nan 0.000 0.261 232 L C -0.920 176.043 176.870 0.155 0.000 1.179 232 L CA -1.401 53.446 54.840 0.013 0.000 0.813 232 L CB -1.165 40.859 42.059 -0.058 0.000 1.110 232 L HN 0.091 8.728 8.230 0.234 -0.266 0.466 233 P HA -0.318 nan 4.420 nan 0.000 0.215 233 P C 1.240 178.646 177.300 0.177 0.000 1.163 233 P CA 3.288 66.546 63.100 0.264 0.000 0.894 233 P CB -0.050 31.780 31.700 0.217 0.000 0.791 234 T N -5.484 109.144 114.554 0.122 0.000 2.803 234 T HA -0.375 nan 4.350 nan 0.000 0.269 234 T C 1.638 176.403 174.700 0.107 0.000 1.052 234 T CA 4.143 66.320 62.100 0.129 0.000 1.136 234 T CB -0.934 68.015 68.868 0.135 0.000 0.864 234 T HN -0.199 8.092 8.240 0.085 0.000 0.467 235 D N 1.621 122.096 120.400 0.125 0.000 2.123 235 D HA -0.171 nan 4.640 nan 0.000 0.200 235 D C 2.111 178.370 176.300 -0.068 0.000 0.976 235 D CA 3.193 57.258 54.000 0.107 0.000 0.831 235 D CB -0.428 40.504 40.800 0.220 0.000 0.974 235 D HN -0.748 7.609 8.370 0.144 0.100 0.469 236 Y N 1.857 122.008 120.300 -0.248 0.000 2.274 236 Y HA -0.384 nan 4.550 nan 0.000 0.290 236 Y C 1.798 177.526 175.900 -0.287 0.000 1.145 236 Y CA 3.135 60.954 58.100 -0.469 0.000 1.203 236 Y CB 0.106 38.068 38.460 -0.829 0.000 0.984 236 Y HN 0.073 8.400 8.280 0.078 0.000 0.533 237 S N 0.797 116.449 115.700 -0.081 0.000 2.407 237 S HA -0.436 nan 4.470 nan 0.000 0.235 237 S C 1.209 175.797 174.600 -0.020 0.000 1.036 237 S CA 4.485 62.678 58.200 -0.011 0.000 1.013 237 S CB -0.476 62.798 63.200 0.124 0.000 0.820 237 S HN 0.301 8.636 8.310 0.041 0.000 0.476 238 L N -3.001 118.164 121.223 -0.097 0.000 2.465 238 L HA -0.208 nan 4.340 nan 0.000 0.224 238 L C 0.329 177.145 176.870 -0.091 0.000 1.145 238 L CA 1.869 56.675 54.840 -0.058 0.000 0.834 238 L CB -0.267 41.711 42.059 -0.135 0.000 0.944 238 L HN -0.659 7.343 8.230 -0.140 0.144 0.451 239 I N -9.261 111.147 120.570 -0.269 0.000 4.057 239 I HA 0.078 nan 4.170 nan 0.000 0.334 239 I C 1.072 177.035 176.117 -0.257 0.000 1.308 239 I CA 0.449 61.581 61.300 -0.280 0.000 1.125 239 I CB 0.569 38.325 38.000 -0.406 0.000 1.034 239 I HN -0.331 7.607 8.210 -0.408 0.027 0.401 240 Q N 0.422 120.076 119.800 -0.244 0.000 2.212 240 Q HA -0.127 nan 4.340 nan 0.000 0.199 240 Q C 0.282 176.251 176.000 -0.052 0.000 0.950 240 Q CA 1.589 57.312 55.803 -0.134 0.000 0.863 240 Q CB 0.593 29.278 28.738 -0.089 0.000 0.944 240 Q HN -0.559 7.430 8.270 -0.285 0.110 0.465 241 D N -0.144 120.249 120.400 -0.013 0.000 2.249 241 D HA 0.348 nan 4.640 nan 0.000 0.246 241 D C -1.058 175.212 176.300 -0.049 0.000 1.114 241 D CA -2.831 51.149 54.000 -0.034 0.000 0.854 241 D CB 2.375 43.137 40.800 -0.062 0.000 1.132 241 D HN -0.560 7.821 8.370 0.018 0.000 0.461 242 P HA -0.126 nan 4.420 nan 0.000 0.217 242 P C 1.423 178.685 177.300 -0.063 0.000 1.150 242 P CA 2.073 65.137 63.100 -0.059 0.000 0.832 242 P CB 0.523 32.191 31.700 -0.054 0.000 0.787 243 K N -1.183 119.155 120.400 -0.102 0.000 2.031 243 K HA -0.216 nan 4.320 nan 0.000 0.205 243 K C 2.859 179.448 176.600 -0.019 0.000 1.049 243 K CA 2.954 59.182 56.287 -0.100 0.000 0.939 243 K CB -0.248 32.148 32.500 -0.173 0.000 0.717 243 K HN -0.617 7.632 8.250 -0.134 -0.079 0.438 244 Y N -1.157 119.107 120.300 -0.060 0.000 2.181 244 Y HA -0.291 nan 4.550 nan 0.000 0.288 244 Y C 2.318 178.158 175.900 -0.101 0.000 1.146 244 Y CA 0.947 59.005 58.100 -0.071 0.000 1.164 244 Y CB -0.462 37.967 38.460 -0.051 0.000 0.982 244 Y HN -0.426 8.091 8.280 -0.119 -0.308 0.515 245 L N -1.069 120.188 121.223 0.057 0.000 2.079 245 L HA -0.408 nan 4.340 nan 0.000 0.210 245 L C 1.443 178.273 176.870 -0.066 0.000 1.081 245 L CA 3.135 57.956 54.840 -0.031 0.000 0.752 245 L CB -0.471 41.557 42.059 -0.052 0.000 0.896 245 L HN 0.138 8.410 8.230 0.068 0.000 0.433 246 S N -0.560 115.100 115.700 -0.067 0.000 2.423 246 S HA -0.279 nan 4.470 nan 0.000 0.231 246 S C 2.159 176.658 174.600 -0.167 0.000 1.014 246 S CA 3.438 61.580 58.200 -0.098 0.000 0.965 246 S CB -0.547 62.604 63.200 -0.083 0.000 0.785 246 S HN -0.512 7.770 8.310 -0.048 0.000 0.495 247 I N 1.869 122.323 120.570 -0.192 0.000 2.233 247 I HA -0.373 nan 4.170 nan 0.000 0.243 247 I C 1.280 177.070 176.117 -0.544 0.000 1.093 247 I CA 3.680 64.740 61.300 -0.401 0.000 1.380 247 I CB -0.196 37.620 38.000 -0.306 0.000 1.067 247 I HN -0.558 7.476 8.210 -0.110 0.109 0.413 248 V N 0.862 120.599 119.914 -0.295 0.000 2.278 248 V HA -0.614 nan 4.120 nan 0.000 0.251 248 V C 1.983 177.944 176.094 -0.221 0.000 1.062 248 V CA 5.031 67.203 62.300 -0.214 0.000 1.038 248 V CB -1.281 30.520 31.823 -0.037 0.000 0.646 248 V HN 0.215 8.301 8.190 -0.172 0.000 0.447 249 K N -2.348 117.949 120.400 -0.171 0.000 2.097 249 K HA -0.399 nan 4.320 nan 0.000 0.206 249 K C 2.047 178.564 176.600 -0.137 0.000 1.049 249 K CA 3.727 59.943 56.287 -0.119 0.000 0.933 249 K CB -0.410 32.035 32.500 -0.091 0.000 0.717 249 K HN -0.143 8.013 8.250 -0.156 0.000 0.442 250 E N -0.098 119.966 120.200 -0.226 0.000 2.077 250 E HA -0.306 nan 4.350 nan 0.000 0.193 250 E C 2.698 179.230 176.600 -0.114 0.000 0.989 250 E CA 3.062 59.337 56.400 -0.208 0.000 0.800 250 E CB 0.007 29.510 29.700 -0.329 0.000 0.746 250 E HN -0.680 7.427 8.360 -0.275 0.088 0.452 251 Y N -2.500 117.627 120.300 -0.288 0.000 2.314 251 Y HA -0.202 nan 4.550 nan 0.000 0.293 251 Y C 1.711 177.458 175.900 -0.256 0.000 1.129 251 Y CA 0.503 58.369 58.100 -0.391 0.000 1.201 251 Y CB -0.592 37.230 38.460 -1.063 0.000 0.999 251 Y HN -0.190 7.743 8.280 -0.578 0.000 0.541 252 A N -1.197 121.600 122.820 -0.039 0.000 1.902 252 A HA -0.202 nan 4.320 nan 0.000 0.217 252 A C 1.239 178.839 177.584 0.026 0.000 1.181 252 A CA 2.287 54.350 52.037 0.044 0.000 0.623 252 A CB -0.115 18.908 19.000 0.039 0.000 0.818 252 A HN -0.129 7.944 8.150 -0.129 0.000 0.443 253 N N -4.172 114.532 118.700 0.007 0.000 2.467 253 N HA -0.096 nan 4.740 nan 0.000 0.184 253 N C -0.396 175.126 175.510 0.020 0.000 1.106 253 N CA 1.121 54.176 53.050 0.008 0.000 0.892 253 N CB 0.983 39.467 38.487 -0.005 0.000 0.969 253 N HN -0.342 8.029 8.380 -0.015 0.000 0.454 254 D N -0.450 119.977 120.400 0.046 0.000 2.337 254 D HA 0.242 nan 4.640 nan 0.000 0.238 254 D C -0.883 175.468 176.300 0.084 0.000 1.331 254 D CA -0.385 53.648 54.000 0.055 0.000 0.967 254 D CB 0.925 41.766 40.800 0.068 0.000 1.382 254 D HN -0.639 7.608 8.370 0.059 0.158 0.549 255 Q N 4.565 124.372 119.800 0.011 0.000 2.135 255 Q HA -0.399 nan 4.340 nan 0.000 0.204 255 Q C 1.166 177.061 176.000 -0.174 0.000 0.981 255 Q CA 3.657 59.427 55.803 -0.054 0.000 0.856 255 Q CB 0.161 28.759 28.738 -0.233 0.000 0.902 255 Q HN 0.472 8.735 8.270 -0.010 0.000 0.425 256 D N -1.611 118.700 120.400 -0.149 0.000 2.144 256 D HA -0.255 nan 4.640 nan 0.000 0.199 256 D C 2.017 178.351 176.300 0.057 0.000 0.984 256 D CA 3.307 57.262 54.000 -0.076 0.000 0.834 256 D CB -0.568 40.212 40.800 -0.034 0.000 0.955 256 D HN -0.134 8.217 8.370 -0.119 -0.052 0.465 257 K N 0.335 120.793 120.400 0.096 0.000 2.057 257 K HA -0.196 nan 4.320 nan 0.000 0.206 257 K C 1.892 178.587 176.600 0.158 0.000 1.050 257 K CA 2.108 58.492 56.287 0.161 0.000 0.935 257 K CB -0.361 32.269 32.500 0.216 0.000 0.715 257 K HN -0.735 7.805 8.250 0.083 -0.241 0.439 258 F N 1.309 121.202 119.950 -0.094 0.000 2.126 258 F HA -0.363 nan 4.527 nan 0.000 0.299 258 F C 1.725 177.559 175.800 0.057 0.000 1.096 258 F CA 2.798 60.524 58.000 -0.458 0.000 1.255 258 F CB -0.191 38.559 39.000 -0.417 0.000 0.997 258 F HN -0.372 8.075 8.300 0.244 0.000 0.479 259 F N -0.870 118.856 119.950 -0.373 0.000 2.102 259 F HA -0.482 nan 4.527 nan 0.000 0.298 259 F C 2.203 177.906 175.800 -0.162 0.000 1.105 259 F CA 2.593 60.395 58.000 -0.329 0.000 1.239 259 F CB -0.974 37.956 39.000 -0.116 0.000 0.991 259 F HN 0.355 8.773 8.300 0.197 0.000 0.474 260 K N -0.793 119.675 120.400 0.114 0.000 2.032 260 K HA -0.393 nan 4.320 nan 0.000 0.209 260 K C 2.337 178.960 176.600 0.039 0.000 1.048 260 K CA 3.821 60.148 56.287 0.067 0.000 0.927 260 K CB -0.453 32.094 32.500 0.079 0.000 0.712 260 K HN -0.175 8.169 8.250 0.157 0.000 0.441 261 D N -0.408 120.017 120.400 0.042 0.000 2.149 261 D HA -0.176 nan 4.640 nan 0.000 0.201 261 D C 2.303 178.614 176.300 0.017 0.000 0.972 261 D CA 3.000 57.035 54.000 0.058 0.000 0.835 261 D CB -0.284 40.612 40.800 0.160 0.000 0.966 261 D HN -0.302 8.097 8.370 0.049 0.000 0.476 262 F N 1.148 120.977 119.950 -0.201 0.000 2.102 262 F HA -0.375 nan 4.527 nan 0.000 0.298 262 F C 1.391 177.120 175.800 -0.118 0.000 1.105 262 F CA 3.433 61.308 58.000 -0.209 0.000 1.239 262 F CB 0.468 39.175 39.000 -0.487 0.000 0.991 262 F HN 0.148 8.291 8.300 -0.083 0.107 0.474 263 S N -0.569 115.129 115.700 -0.004 0.000 2.359 263 S HA -0.517 nan 4.470 nan 0.000 0.223 263 S C 2.036 176.601 174.600 -0.059 0.000 1.039 263 S CA 4.347 62.534 58.200 -0.023 0.000 1.042 263 S CB -0.190 63.007 63.200 -0.005 0.000 0.915 263 S HN 0.160 8.490 8.310 0.034 0.000 0.439 264 K N 0.344 120.716 120.400 -0.047 0.000 2.063 264 K HA -0.362 nan 4.320 nan 0.000 0.208 264 K C 2.248 178.809 176.600 -0.065 0.000 1.048 264 K CA 3.173 59.434 56.287 -0.044 0.000 0.928 264 K CB -0.014 32.476 32.500 -0.017 0.000 0.713 264 K HN -0.556 7.678 8.250 -0.026 0.000 0.442 265 A N -1.123 121.640 122.820 -0.095 0.000 1.970 265 A HA -0.094 nan 4.320 nan 0.000 0.216 265 A C 2.073 179.596 177.584 -0.102 0.000 1.170 265 A CA 2.743 54.726 52.037 -0.090 0.000 0.645 265 A CB -0.676 18.271 19.000 -0.088 0.000 0.816 265 A HN -0.221 7.868 8.150 -0.102 0.000 0.447 266 F N 0.059 119.732 119.950 -0.461 0.000 2.146 266 F HA -0.329 nan 4.527 nan 0.000 0.298 266 F C 1.296 176.998 175.800 -0.164 0.000 1.096 266 F CA 2.210 59.961 58.000 -0.415 0.000 1.275 266 F CB 0.351 38.922 39.000 -0.715 0.000 1.008 266 F HN 0.285 8.388 8.300 -0.329 0.000 0.480 267 E N -0.150 119.984 120.200 -0.111 0.000 2.031 267 E HA -0.529 nan 4.350 nan 0.000 0.193 267 E C 1.849 178.363 176.600 -0.144 0.000 0.994 267 E CA 3.514 59.831 56.400 -0.139 0.000 0.800 267 E CB -0.185 29.461 29.700 -0.090 0.000 0.752 267 E HN -0.383 7.948 8.360 -0.048 0.000 0.447 268 K N -0.626 119.711 120.400 -0.105 0.000 2.074 268 K HA -0.348 nan 4.320 nan 0.000 0.209 268 K C 2.381 178.919 176.600 -0.103 0.000 1.048 268 K CA 3.106 59.338 56.287 -0.092 0.000 0.926 268 K CB -0.099 32.371 32.500 -0.049 0.000 0.713 268 K HN -0.528 7.669 8.250 -0.088 0.000 0.444 269 L N -0.927 120.256 121.223 -0.067 0.000 2.042 269 L HA -0.313 nan 4.340 nan 0.000 0.210 269 L C 2.172 178.981 176.870 -0.102 0.000 1.076 269 L CA 2.973 57.802 54.840 -0.018 0.000 0.749 269 L CB -0.100 42.021 42.059 0.104 0.000 0.893 269 L HN -0.254 7.943 8.230 -0.055 0.000 0.432 270 L N -3.784 117.325 121.223 -0.190 0.000 2.217 270 L HA -0.374 nan 4.340 nan 0.000 0.211 270 L C 2.208 179.001 176.870 -0.128 0.000 1.107 270 L CA 2.778 57.513 54.840 -0.175 0.000 0.783 270 L CB -0.411 41.509 42.059 -0.232 0.000 0.919 270 L HN -0.053 8.029 8.230 -0.246 0.000 0.442 271 E N -1.959 118.159 120.200 -0.137 0.000 2.474 271 E HA -0.097 nan 4.350 nan 0.000 0.194 271 E C 0.036 176.507 176.600 -0.215 0.000 1.041 271 E CA 0.415 56.771 56.400 -0.073 0.000 0.874 271 E CB 0.236 29.931 29.700 -0.008 0.000 0.914 271 E HN -0.008 8.259 8.360 -0.154 0.000 0.498 272 N N 0.667 119.117 118.700 -0.416 0.000 2.357 272 N HA -0.252 nan 4.740 nan 0.000 0.257 272 N C 0.212 175.025 175.510 -1.162 0.000 1.250 272 N CA 1.895 54.388 53.050 -0.927 0.000 0.862 272 N CB -0.136 37.534 38.487 -1.362 0.000 1.066 272 N HN -0.490 7.695 8.380 -0.325 0.000 0.468 273 G N -0.747 107.436 108.800 -1.028 0.000 2.176 273 G HA2 -0.368 nan 3.960 nan 0.000 0.253 273 G HA3 -0.368 nan 3.960 nan 0.000 0.253 273 G C -1.410 173.383 174.900 -0.178 0.000 0.979 273 G CA 0.687 45.565 45.100 -0.370 0.000 0.641 273 G HN 0.377 8.122 8.290 -0.907 0.000 0.530 274 I N -0.008 120.389 120.570 -0.288 0.000 2.436 274 I HA 0.315 nan 4.170 nan 0.000 0.289 274 I C -1.183 174.636 176.117 -0.497 0.000 1.010 274 I CA -1.584 59.464 61.300 -0.419 0.000 1.098 274 I CB 1.262 38.962 38.000 -0.500 0.000 1.266 274 I HN -0.621 7.345 8.210 -0.312 0.057 0.434 275 T N 8.600 122.868 114.554 -0.478 0.000 2.771 275 T HA 0.341 nan 4.350 nan 0.000 0.291 275 T C -1.158 173.254 174.700 -0.479 0.000 0.954 275 T CA -0.374 61.521 62.100 -0.342 0.000 1.045 275 T CB 0.458 69.208 68.868 -0.196 0.000 0.917 275 T HN 0.847 8.827 8.240 -0.432 0.000 0.484 276 F N 6.522 126.427 119.950 -0.076 0.000 2.388 276 F HA 0.320 nan 4.527 nan 0.000 0.358 276 F C -1.596 174.165 175.800 -0.065 0.000 1.122 276 F CA -3.387 54.565 58.000 -0.081 0.000 1.056 276 F CB 0.369 39.298 39.000 -0.119 0.000 1.155 276 F HN 0.211 8.556 8.300 0.074 0.000 0.461 277 P HA 0.070 nan 4.420 nan 0.000 0.269 277 P C 0.043 177.368 177.300 0.041 0.000 1.209 277 P CA -0.799 62.325 63.100 0.040 0.000 0.776 277 P CB 0.858 32.573 31.700 0.025 0.000 0.876 278 K N 1.524 121.935 120.400 0.019 0.000 2.525 278 K HA -0.099 nan 4.320 nan 0.000 0.192 278 K C -0.295 176.305 176.600 -0.001 0.000 1.029 278 K CA 1.636 57.925 56.287 0.004 0.000 1.029 278 K CB -0.216 32.281 32.500 -0.005 0.000 0.814 278 K HN 0.419 8.677 8.250 0.013 0.000 0.503 279 D N -2.867 117.539 120.400 0.008 0.000 2.317 279 D HA -0.119 nan 4.640 nan 0.000 0.211 279 D C -0.496 175.810 176.300 0.009 0.000 0.966 279 D CA -0.139 53.866 54.000 0.009 0.000 0.876 279 D CB -0.294 40.516 40.800 0.015 0.000 0.927 279 D HN -0.281 8.063 8.370 0.013 0.034 0.519 280 A N 1.696 124.524 122.820 0.014 0.000 2.561 280 A HA -0.083 nan 4.320 nan 0.000 0.234 280 A C -1.311 176.239 177.584 -0.057 0.000 1.055 280 A CA -1.356 50.684 52.037 0.004 0.000 0.756 280 A CB -0.321 18.708 19.000 0.048 0.000 0.986 280 A HN -0.474 7.522 8.150 0.023 0.167 0.505 281 P HA -0.065 nan 4.420 nan 0.000 0.265 281 P C -1.036 176.096 177.300 -0.280 0.000 1.187 281 P CA -0.096 62.917 63.100 -0.144 0.000 0.766 281 P CB 0.602 32.224 31.700 -0.129 0.000 0.820 282 S N 1.873 117.440 115.700 -0.221 0.000 2.560 282 S HA -0.058 nan 4.470 nan 0.000 0.276 282 S C -1.468 172.867 174.600 -0.441 0.000 1.350 282 S CA -0.072 57.968 58.200 -0.267 0.000 1.024 282 S CB -0.181 62.919 63.200 -0.167 0.000 0.864 282 S HN -0.059 8.172 8.310 -0.132 0.000 0.536 283 P HA -0.090 nan 4.420 nan 0.000 0.262 283 P C -1.425 175.730 177.300 -0.241 0.000 1.182 283 P CA 0.146 62.987 63.100 -0.432 0.000 0.761 283 P CB 0.392 31.895 31.700 -0.329 0.000 0.795 284 F N 4.162 123.989 119.950 -0.204 0.000 2.467 284 F HA 0.014 nan 4.527 nan 0.000 0.362 284 F C -0.198 175.345 175.800 -0.429 0.000 1.090 284 F CA -1.284 56.524 58.000 -0.320 0.000 1.202 284 F CB 0.251 39.022 39.000 -0.381 0.000 1.113 284 F HN 0.384 8.468 8.300 -0.360 0.000 0.541 285 I N 4.794 125.254 120.570 -0.183 0.000 2.291 285 I HA 0.092 nan 4.170 nan 0.000 0.290 285 I C -1.034 174.993 176.117 -0.150 0.000 1.050 285 I CA -1.475 59.736 61.300 -0.149 0.000 1.245 285 I CB -0.902 37.049 38.000 -0.082 0.000 1.405 285 I HN 0.534 8.648 8.210 -0.159 0.000 0.478 286 F N 6.853 126.853 119.950 0.083 0.000 2.399 286 F HA 0.080 nan 4.527 nan 0.000 0.342 286 F C -0.180 175.452 175.800 -0.281 0.000 1.106 286 F CA -0.870 57.048 58.000 -0.136 0.000 1.196 286 F CB 0.438 39.135 39.000 -0.505 0.000 1.163 286 F HN 0.325 8.615 8.300 -0.017 0.000 0.547 287 K N 3.663 124.037 120.400 -0.043 0.000 2.295 287 K HA 0.063 nan 4.320 nan 0.000 0.270 287 K C -0.088 176.379 176.600 -0.222 0.000 1.011 287 K CA 0.571 56.804 56.287 -0.090 0.000 0.953 287 K CB 0.591 33.087 32.500 -0.007 0.000 0.956 287 K HN -0.043 8.273 8.250 0.111 0.000 0.477 288 T N -3.551 110.988 114.554 -0.025 0.000 2.874 288 T HA 0.269 nan 4.350 nan 0.000 0.281 288 T C 1.526 176.299 174.700 0.122 0.000 0.994 288 T CA -1.534 60.637 62.100 0.120 0.000 1.015 288 T CB 1.571 70.520 68.868 0.135 0.000 1.028 288 T HN 0.027 8.530 8.240 0.008 -0.258 0.523 289 L N 1.215 122.545 121.223 0.178 0.000 2.064 289 L HA -0.486 nan 4.340 nan 0.000 0.216 289 L C 2.076 178.990 176.870 0.074 0.000 1.077 289 L CA 4.022 58.928 54.840 0.110 0.000 0.766 289 L CB -0.538 41.581 42.059 0.101 0.000 0.890 289 L HN -0.036 8.553 8.230 0.275 -0.194 0.435 290 E N -1.345 118.900 120.200 0.076 0.000 2.077 290 E HA -0.327 nan 4.350 nan 0.000 0.193 290 E C 2.319 178.950 176.600 0.051 0.000 0.989 290 E CA 2.843 59.279 56.400 0.061 0.000 0.800 290 E CB -0.517 29.221 29.700 0.064 0.000 0.746 290 E HN 0.175 8.577 8.360 0.092 0.012 0.452 291 E N -1.586 118.644 120.200 0.050 0.000 2.150 291 E HA -0.213 nan 4.350 nan 0.000 0.193 291 E C 2.016 178.636 176.600 0.034 0.000 0.985 291 E CA 2.259 58.682 56.400 0.039 0.000 0.814 291 E CB 0.116 29.836 29.700 0.033 0.000 0.752 291 E HN -0.545 7.761 8.360 0.059 0.089 0.466 292 Q N -3.589 116.233 119.800 0.035 0.000 2.424 292 Q HA -0.010 nan 4.340 nan 0.000 0.204 292 Q C 1.059 177.079 176.000 0.032 0.000 0.933 292 Q CA 0.269 56.091 55.803 0.032 0.000 0.929 292 Q CB 0.966 29.721 28.738 0.029 0.000 1.037 292 Q HN -0.456 7.720 8.270 0.041 0.119 0.511 293 G N -1.711 107.110 108.800 0.036 0.000 2.160 293 G HA2 -0.381 nan 3.960 nan 0.000 0.244 293 G HA3 -0.381 nan 3.960 nan 0.000 0.244 293 G C -1.073 173.847 174.900 0.033 0.000 1.022 293 G CA 0.481 45.601 45.100 0.033 0.000 0.741 293 G HN -0.230 7.919 8.290 0.040 0.165 0.508 294 L N 0.000 121.246 121.223 0.038 0.000 2.949 294 L HA 0.000 nan 4.340 nan 0.000 0.249 294 L CA 0.000 54.862 54.840 0.037 0.000 0.813 294 L CB 0.000 42.083 42.059 0.039 0.000 0.961 294 L HN 0.000 8.147 8.230 0.044 0.110 0.502