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 3c0m_1_B DATA FIRST_RESID 2 DATA SEQUENCE EPVYPDQLRL FSLGQGVcGD KYRPVNREEA QSVKSNIVGM MGQWQISGLA DATA SEQUENCE NGWVIMGPGY NGEIKPGTAS NTWcYPTNPV TGEIPTLSAL DIPDGDEVDV DATA SEQUENCE QWRLVHDSAN FIKPTSYLAH YLGYAWVGGN HSQYVGEDMD VTRDGDGWVI DATA SEQUENCE RGNNDGGcDG YRcGDKTAIK VSNFAYNLDP DSFKHGDVTQ SDRQLVKTVV DATA SEQUENCE GWAVNDSDTP QSGYDVTLRG DTATNWSKTN TYGLSEKVTT KNKFKWPLVG DATA SEQUENCE ETELSIEIAA NQSWASQNGG STTTSLSQSV RPTVPARSKI PVKIELYKAD DATA SEQUENCE ISYPYEFKAD VSYDLTLSGF LRWGGNAWYT HPDNRPNWNH TFVIGPYKDK DATA SEQUENCE ASSIRYQWDK RYIPGEVKWW DWNWTIQQNG LSTMQNNLAR VLRPVRAGIT DATA SEQUENCE GDFSAESQFA GNIEIGAPVP LXXXXXXXXX XXXXXXXXXL RLEIPLDAQE DATA SEQUENCE LSGLGFNNVS LSVTPAA 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 2 E HA 0.000 nan 4.350 nan 0.000 0.291 2 E C 0.000 176.480 176.600 -0.199 0.000 1.382 2 E CA 0.000 56.336 56.400 -0.106 0.000 0.976 2 E CB 0.000 29.653 29.700 -0.078 0.000 0.812 3 P HA 0.270 nan 4.420 nan 0.000 0.279 3 P C 0.100 177.044 177.300 -0.593 0.000 1.252 3 P CA -0.506 62.365 63.100 -0.381 0.000 0.811 3 P CB 1.302 32.813 31.700 -0.315 0.000 1.035 4 V N -0.295 119.330 119.914 -0.481 0.000 2.530 4 V HA 0.245 4.365 4.120 -0.000 0.000 0.282 4 V C -0.648 175.269 176.094 -0.294 0.000 1.048 4 V CA -0.691 61.288 62.300 -0.534 0.000 0.997 4 V CB -0.238 31.191 31.823 -0.656 0.000 0.987 4 V HN 0.304 nan 8.190 nan 0.000 0.477 5 Y N 5.889 126.320 120.300 0.219 0.000 2.477 5 Y HA 0.391 4.941 4.550 -0.000 0.000 0.349 5 Y C -1.398 174.607 175.900 0.175 0.000 0.977 5 Y CA -2.316 55.886 58.100 0.171 0.000 1.214 5 Y CB 0.918 39.482 38.460 0.172 0.000 1.124 5 Y HN 0.517 nan 8.280 nan 0.000 0.521 6 P HA -0.263 nan 4.420 nan 0.000 0.217 6 P C 1.039 178.400 177.300 0.102 0.000 1.158 6 P CA 2.114 65.255 63.100 0.069 0.000 0.887 6 P CB 0.261 31.963 31.700 0.002 0.000 0.792 7 D N -1.256 119.217 120.400 0.120 0.000 2.378 7 D HA -0.139 4.501 4.640 -0.000 0.000 0.227 7 D C 1.315 177.685 176.300 0.116 0.000 1.012 7 D CA 0.780 54.833 54.000 0.090 0.000 0.905 7 D CB -0.779 40.047 40.800 0.043 0.000 0.895 7 D HN 0.305 nan 8.370 nan 0.000 0.532 8 Q N -0.322 119.590 119.800 0.186 0.000 2.217 8 Q HA 0.244 4.584 4.340 -0.000 0.000 0.217 8 Q C 0.553 176.678 176.000 0.208 0.000 0.844 8 Q CA -0.297 55.594 55.803 0.147 0.000 0.957 8 Q CB 1.166 29.953 28.738 0.082 0.000 1.127 8 Q HN 0.317 nan 8.270 nan 0.000 0.503 9 L N 1.219 122.613 121.223 0.285 0.000 2.467 9 L HA 0.151 4.491 4.340 -0.000 0.000 0.270 9 L C 0.143 177.212 176.870 0.332 0.000 1.205 9 L CA 0.319 55.383 54.840 0.374 0.000 0.828 9 L CB 0.299 42.495 42.059 0.228 0.000 1.101 9 L HN -0.078 nan 8.230 nan 0.000 0.479 10 R N 1.416 122.104 120.500 0.314 0.000 2.548 10 R HA 0.518 4.858 4.340 -0.000 0.000 0.280 10 R C -1.620 174.567 176.300 -0.188 0.000 1.061 10 R CA -0.600 55.457 56.100 -0.071 0.000 0.915 10 R CB 1.553 31.539 30.300 -0.523 0.000 1.210 10 R HN 0.423 nan 8.270 nan 0.000 0.442 11 L N 4.065 125.014 121.223 -0.457 0.000 2.307 11 L HA 0.628 4.968 4.340 -0.000 0.000 0.282 11 L C -1.443 175.021 176.870 -0.677 0.000 1.051 11 L CA 0.147 54.607 54.840 -0.633 0.000 0.804 11 L CB 0.654 42.166 42.059 -0.912 0.000 1.197 11 L HN 0.561 nan 8.230 nan 0.000 0.431 12 F N 1.549 121.346 119.950 -0.255 0.000 2.561 12 F HA 0.510 5.037 4.527 -0.000 0.000 0.321 12 F C 0.098 175.804 175.800 -0.157 0.000 1.065 12 F CA -0.548 57.345 58.000 -0.178 0.000 0.934 12 F CB 2.261 41.182 39.000 -0.132 0.000 1.215 12 F HN 0.450 nan 8.300 nan 0.000 0.471 13 S N 2.416 118.163 115.700 0.078 0.000 2.269 13 S HA 0.568 5.038 4.470 -0.000 0.000 0.194 13 S C -0.457 174.168 174.600 0.042 0.000 1.547 13 S CA -0.465 57.745 58.200 0.016 0.000 1.186 13 S CB -0.128 63.056 63.200 -0.025 0.000 1.069 13 S HN 0.684 nan 8.310 nan 0.000 0.473 14 L N 1.367 122.616 121.223 0.043 0.000 3.217 14 L HA 0.592 4.932 4.340 -0.000 0.000 0.288 14 L C 0.956 177.831 176.870 0.008 0.000 1.202 14 L CA 0.049 54.902 54.840 0.022 0.000 1.027 14 L CB 0.632 42.696 42.059 0.008 0.000 1.427 14 L HN 0.888 nan 8.230 nan 0.000 0.600 15 G N -0.235 108.571 108.800 0.011 0.000 2.355 15 G HA2 -0.088 3.871 3.960 -0.000 0.000 0.619 15 G HA3 -0.088 3.871 3.960 -0.000 0.000 0.619 15 G C -1.272 173.637 174.900 0.014 0.000 1.337 15 G CA -0.908 44.197 45.100 0.007 0.000 0.993 15 G HN -0.170 nan 8.290 nan 0.000 0.599 16 Q N 0.404 120.213 119.800 0.014 0.000 2.269 16 Q HA 0.355 4.695 4.340 -0.000 0.000 0.300 16 Q C 1.790 177.808 176.000 0.030 0.000 1.070 16 Q CA 2.125 57.942 55.803 0.023 0.000 0.957 16 Q CB 0.335 29.083 28.738 0.017 0.000 1.131 16 Q HN 2.406 nan 8.270 nan 0.000 0.377 17 G N 2.569 111.399 108.800 0.049 0.000 2.238 17 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.270 17 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.270 17 G C 0.240 175.162 174.900 0.036 0.000 0.977 17 G CA 0.540 45.673 45.100 0.056 0.000 0.639 17 G HN 0.507 nan 8.290 nan 0.000 0.544 18 V N 1.156 121.080 119.914 0.016 0.000 2.427 18 V HA 0.418 4.538 4.120 -0.000 0.000 0.268 18 V C 1.054 177.113 176.094 -0.059 0.000 1.046 18 V CA -0.484 61.803 62.300 -0.022 0.000 0.970 18 V CB 0.691 32.498 31.823 -0.027 0.000 1.001 18 V HN 0.403 nan 8.190 nan 0.000 0.476 19 c N 3.975 122.494 118.600 -0.134 0.000 2.349 19 c HA 0.803 5.372 4.570 -0.000 0.000 0.361 19 c C 1.279 174.921 174.090 -0.745 0.000 1.189 19 c CA -0.474 55.645 56.329 -0.349 0.000 2.155 19 c CB 1.329 43.764 42.510 -0.125 0.000 2.336 19 c HN 1.034 nan 8.230 nan 0.000 0.540 20 G N 0.416 108.036 108.800 -1.967 0.000 2.634 20 G HA2 0.368 4.327 3.960 -0.000 0.000 0.255 20 G HA3 0.368 4.327 3.960 -0.000 0.000 0.255 20 G C -0.573 174.006 174.900 -0.535 0.000 1.205 20 G CA 0.043 44.247 45.100 -1.492 0.000 0.884 20 G HN 0.835 nan 8.290 nan 0.000 0.549 21 D N -0.489 119.790 120.400 -0.202 0.000 2.472 21 D HA 0.071 4.711 4.640 -0.000 0.000 0.237 21 D C 0.739 177.096 176.300 0.094 0.000 1.141 21 D CA 0.364 54.344 54.000 -0.034 0.000 0.875 21 D CB 0.430 41.232 40.800 0.003 0.000 1.192 21 D HN 0.278 nan 8.370 nan 0.000 0.450 22 K N 0.959 121.383 120.400 0.039 0.000 3.281 22 K HA -0.232 4.088 4.320 -0.000 0.000 0.295 22 K C -1.263 175.272 176.600 -0.108 0.000 1.233 22 K CA 0.831 57.108 56.287 -0.017 0.000 0.866 22 K CB -2.116 30.368 32.500 -0.027 0.000 1.265 22 K HN 0.565 nan 8.250 nan 0.000 0.482 23 Y N -0.384 119.899 120.300 -0.028 0.000 2.553 23 Y HA 0.565 5.115 4.550 -0.000 0.000 0.347 23 Y C 0.637 176.547 175.900 0.017 0.000 1.019 23 Y CA -1.084 57.035 58.100 0.032 0.000 1.032 23 Y CB 1.566 40.099 38.460 0.123 0.000 1.284 23 Y HN 0.020 nan 8.280 nan 0.000 0.466 24 R N 2.491 123.145 120.500 0.256 0.000 2.837 24 R HA 0.592 4.931 4.340 -0.000 0.000 0.271 24 R C -3.608 172.832 176.300 0.233 0.000 0.993 24 R CA -2.299 53.908 56.100 0.178 0.000 0.931 24 R CB 1.889 32.263 30.300 0.124 0.000 1.206 24 R HN 0.327 nan 8.270 nan 0.000 0.474 25 P HA 0.085 nan 4.420 nan 0.000 0.276 25 P C -0.039 177.359 177.300 0.163 0.000 1.230 25 P CA -0.347 62.865 63.100 0.188 0.000 0.776 25 P CB 0.963 32.748 31.700 0.141 0.000 0.888 26 V N 4.268 124.293 119.914 0.185 0.000 2.715 26 V HA 0.006 4.126 4.120 -0.000 0.000 0.299 26 V C 1.178 177.296 176.094 0.040 0.000 1.054 26 V CA 0.164 62.512 62.300 0.080 0.000 1.077 26 V CB -0.126 31.738 31.823 0.068 0.000 0.972 26 V HN 0.713 nan 8.190 nan 0.000 0.484 27 N N 4.240 122.916 118.700 -0.039 0.000 2.604 27 N HA 0.406 5.146 4.740 -0.000 0.000 0.297 27 N C 0.724 176.150 175.510 -0.141 0.000 1.266 27 N CA -0.839 52.166 53.050 -0.074 0.000 0.961 27 N CB 0.696 39.122 38.487 -0.101 0.000 1.166 27 N HN 0.377 nan 8.380 nan 0.000 0.601 28 R N 0.090 120.438 120.500 -0.253 0.000 2.127 28 R HA -0.163 4.177 4.340 -0.000 0.000 0.228 28 R C 1.581 177.731 176.300 -0.249 0.000 1.125 28 R CA 2.024 57.925 56.100 -0.333 0.000 0.904 28 R CB -0.747 29.163 30.300 -0.650 0.000 0.831 28 R HN 0.704 nan 8.270 nan 0.000 0.431 29 E N 0.580 120.629 120.200 -0.253 0.000 2.136 29 E HA -0.277 4.073 4.350 -0.000 0.000 0.208 29 E C 2.051 178.545 176.600 -0.177 0.000 1.035 29 E CA 1.955 58.238 56.400 -0.196 0.000 0.838 29 E CB -0.110 29.485 29.700 -0.175 0.000 0.748 29 E HN 0.446 nan 8.360 nan 0.000 0.459 30 E N 0.172 120.261 120.200 -0.185 0.000 2.047 30 E HA -0.172 4.177 4.350 -0.000 0.000 0.191 30 E C 2.145 178.628 176.600 -0.195 0.000 0.987 30 E CA 0.857 57.132 56.400 -0.207 0.000 0.799 30 E CB -0.169 29.384 29.700 -0.245 0.000 0.752 30 E HN 0.272 nan 8.360 nan 0.000 0.449 31 A N 1.453 124.169 122.820 -0.173 0.000 1.940 31 A HA -0.258 4.062 4.320 -0.000 0.000 0.219 31 A C 2.139 179.637 177.584 -0.144 0.000 1.176 31 A CA 1.295 53.237 52.037 -0.158 0.000 0.631 31 A CB -0.371 18.560 19.000 -0.114 0.000 0.814 31 A HN 0.126 nan 8.150 nan 0.000 0.446 32 Q N 0.318 120.034 119.800 -0.140 0.000 1.975 32 Q HA -0.187 4.153 4.340 -0.000 0.000 0.205 32 Q C 2.548 178.481 176.000 -0.113 0.000 0.990 32 Q CA 2.228 57.960 55.803 -0.118 0.000 0.845 32 Q CB -0.989 27.675 28.738 -0.123 0.000 0.913 32 Q HN 0.824 nan 8.270 nan 0.000 0.420 33 S N -0.652 114.974 115.700 -0.124 0.000 2.520 33 S HA -0.088 4.382 4.470 -0.000 0.000 0.249 33 S C 1.532 176.064 174.600 -0.113 0.000 0.983 33 S CA 1.275 59.405 58.200 -0.116 0.000 0.958 33 S CB -0.059 63.062 63.200 -0.131 0.000 0.750 33 S HN 0.153 nan 8.310 nan 0.000 0.527 34 V N -0.203 119.635 119.914 -0.126 0.000 3.382 34 V HA 0.275 4.395 4.120 -0.000 0.000 0.296 34 V C 1.776 177.795 176.094 -0.124 0.000 1.529 34 V CA -0.108 62.118 62.300 -0.122 0.000 1.048 34 V CB 0.109 31.845 31.823 -0.146 0.000 0.878 34 V HN 0.353 nan 8.190 nan 0.000 0.442 35 K N 1.150 121.481 120.400 -0.116 0.000 2.128 35 K HA -0.348 3.972 4.320 -0.000 0.000 0.220 35 K C 2.204 178.750 176.600 -0.091 0.000 1.049 35 K CA 2.506 58.733 56.287 -0.100 0.000 0.948 35 K CB -0.228 32.230 32.500 -0.070 0.000 0.742 35 K HN 0.468 nan 8.250 nan 0.000 0.465 36 S N 0.576 116.231 115.700 -0.076 0.000 2.374 36 S HA -0.166 4.304 4.470 -0.000 0.000 0.227 36 S C 1.464 176.019 174.600 -0.075 0.000 1.037 36 S CA 1.970 60.131 58.200 -0.065 0.000 1.024 36 S CB -0.455 62.712 63.200 -0.055 0.000 0.861 36 S HN 0.452 nan 8.310 nan 0.000 0.456 37 N N 1.096 119.740 118.700 -0.093 0.000 2.250 37 N HA 0.145 4.884 4.740 -0.000 0.000 0.181 37 N C 1.582 176.997 175.510 -0.157 0.000 1.017 37 N CA 0.802 53.790 53.050 -0.103 0.000 0.866 37 N CB -0.291 38.140 38.487 -0.094 0.000 0.985 37 N HN 0.357 nan 8.380 nan 0.000 0.429 38 I N 0.055 120.485 120.570 -0.234 0.000 2.252 38 I HA -0.161 4.009 4.170 -0.000 0.000 0.245 38 I C 1.559 177.555 176.117 -0.201 0.000 1.102 38 I CA 0.793 61.853 61.300 -0.400 0.000 1.385 38 I CB -0.217 37.456 38.000 -0.545 0.000 1.064 38 I HN -0.035 nan 8.210 nan 0.000 0.414 39 V N 0.998 120.847 119.914 -0.107 0.000 2.759 39 V HA -0.118 4.002 4.120 -0.000 0.000 0.256 39 V C 2.280 178.365 176.094 -0.014 0.000 1.080 39 V CA 1.757 64.043 62.300 -0.023 0.000 1.101 39 V CB -1.129 30.683 31.823 -0.018 0.000 0.698 39 V HN 0.586 nan 8.190 nan 0.000 0.477 40 G N -1.177 107.600 108.800 -0.038 0.000 2.985 40 G HA2 0.025 3.985 3.960 -0.000 0.000 0.209 40 G HA3 0.025 3.985 3.960 -0.000 0.000 0.209 40 G C 1.186 176.087 174.900 0.002 0.000 1.165 40 G CA -0.045 45.040 45.100 -0.026 0.000 0.776 40 G HN 0.486 nan 8.290 nan 0.000 0.541 41 M N 0.025 119.644 119.600 0.033 0.000 2.346 41 M HA 0.448 4.928 4.480 -0.000 0.000 0.280 41 M C 0.170 176.600 176.300 0.216 0.000 1.075 41 M CA 0.104 55.472 55.300 0.114 0.000 0.989 41 M CB 0.677 33.351 32.600 0.123 0.000 1.447 41 M HN 0.026 nan 8.290 nan 0.000 0.511 42 M N -0.308 119.395 119.600 0.172 0.000 2.472 42 M HA 0.488 4.968 4.480 -0.000 0.000 0.331 42 M C 0.670 177.015 176.300 0.074 0.000 1.170 42 M CA -0.718 54.693 55.300 0.185 0.000 1.009 42 M CB 1.563 34.305 32.600 0.237 0.000 1.672 42 M HN 0.116 nan 8.290 nan 0.000 0.453 43 G N 0.502 109.339 108.800 0.061 0.000 2.614 43 G HA2 0.027 3.987 3.960 -0.000 0.000 0.239 43 G HA3 0.027 3.987 3.960 -0.000 0.000 0.239 43 G C 0.394 175.260 174.900 -0.056 0.000 1.240 43 G CA -0.241 44.864 45.100 0.008 0.000 0.842 43 G HN 0.938 nan 8.290 nan 0.000 0.584 44 Q N 0.252 119.943 119.800 -0.182 0.000 2.029 44 Q HA -0.174 4.166 4.340 -0.000 0.000 0.209 44 Q C 1.418 177.063 176.000 -0.592 0.000 0.999 44 Q CA 2.164 57.681 55.803 -0.477 0.000 0.857 44 Q CB -0.159 28.154 28.738 -0.709 0.000 0.926 44 Q HN 0.744 nan 8.270 nan 0.000 0.415 45 W N 1.193 122.483 121.300 -0.017 0.000 3.325 45 W HA 0.267 4.927 4.660 -0.000 0.000 0.370 45 W C 0.224 176.896 176.519 0.254 0.000 1.169 45 W CA -0.895 56.456 57.345 0.010 0.000 1.874 45 W CB 0.295 29.721 29.460 -0.055 0.000 1.076 45 W HN 0.262 nan 8.180 nan 0.000 0.684 46 Q N 1.475 121.456 119.800 0.302 0.000 2.352 46 Q HA 0.175 4.515 4.340 -0.000 0.000 0.260 46 Q C -0.306 175.852 176.000 0.264 0.000 0.976 46 Q CA 0.419 56.367 55.803 0.241 0.000 0.881 46 Q CB 0.648 29.475 28.738 0.149 0.000 1.235 46 Q HN -0.039 nan 8.270 nan 0.000 0.419 47 I N 2.706 123.384 120.570 0.179 0.000 2.447 47 I HA 0.313 4.483 4.170 -0.000 0.000 0.287 47 I C -0.822 175.350 176.117 0.092 0.000 1.023 47 I CA -0.382 60.991 61.300 0.122 0.000 1.083 47 I CB 1.461 39.495 38.000 0.056 0.000 1.245 47 I HN 0.506 nan 8.210 nan 0.000 0.434 48 S N 3.310 119.090 115.700 0.133 0.000 2.526 48 S HA 0.743 5.213 4.470 -0.000 0.000 0.293 48 S C 0.253 174.953 174.600 0.167 0.000 1.092 48 S CA -0.706 57.551 58.200 0.095 0.000 0.980 48 S CB 2.291 65.507 63.200 0.027 0.000 1.048 48 S HN 0.815 nan 8.310 nan 0.000 0.483 49 G N 1.379 110.246 108.800 0.113 0.000 2.503 49 G HA2 0.578 4.537 3.960 -0.000 0.000 0.257 49 G HA3 0.578 4.537 3.960 -0.000 0.000 0.257 49 G C -0.474 174.557 174.900 0.218 0.000 1.214 49 G CA -0.331 44.857 45.100 0.146 0.000 0.839 49 G HN 0.560 nan 8.290 nan 0.000 0.559 50 L N 0.331 121.686 121.223 0.219 0.000 2.343 50 L HA 0.748 5.088 4.340 -0.000 0.000 0.264 50 L C 0.926 177.912 176.870 0.193 0.000 1.050 50 L CA -1.265 53.706 54.840 0.218 0.000 0.956 50 L CB 1.084 43.267 42.059 0.206 0.000 1.576 50 L HN 0.600 nan 8.230 nan 0.000 0.521 51 A N -0.367 122.551 122.820 0.163 0.000 2.287 51 A HA 0.343 4.663 4.320 -0.000 0.000 0.273 51 A C 0.033 177.752 177.584 0.226 0.000 1.091 51 A CA -0.296 51.830 52.037 0.147 0.000 0.817 51 A CB -0.001 19.053 19.000 0.090 0.000 1.069 51 A HN 0.843 nan 8.150 nan 0.000 0.492 52 N N -0.275 118.541 118.700 0.193 0.000 2.714 52 N HA -0.197 4.543 4.740 -0.000 0.000 0.253 52 N C 0.852 176.527 175.510 0.274 0.000 1.024 52 N CA 1.944 55.139 53.050 0.242 0.000 0.726 52 N CB -1.576 37.093 38.487 0.303 0.000 0.908 52 N HN 2.073 nan 8.380 nan 0.000 0.542 53 G N -2.409 106.475 108.800 0.140 0.000 2.180 53 G HA2 -0.329 3.631 3.960 -0.000 0.000 0.263 53 G HA3 -0.329 3.631 3.960 -0.000 0.000 0.263 53 G C 0.003 174.866 174.900 -0.062 0.000 0.989 53 G CA 0.759 45.867 45.100 0.013 0.000 0.692 53 G HN 0.496 nan 8.290 nan 0.000 0.526 54 W N -1.324 119.988 121.300 0.019 0.000 2.449 54 W HA 0.671 5.331 4.660 -0.000 0.000 0.331 54 W C 0.128 176.666 176.519 0.032 0.000 1.119 54 W CA -0.777 56.579 57.345 0.019 0.000 1.240 54 W CB 1.649 31.120 29.460 0.017 0.000 1.251 54 W HN 0.100 nan 8.180 nan 0.000 0.576 55 V N 4.530 124.597 119.914 0.254 0.000 2.789 55 V HA 0.457 4.577 4.120 -0.000 0.000 0.311 55 V C -0.792 175.411 176.094 0.182 0.000 1.073 55 V CA -1.368 61.037 62.300 0.176 0.000 0.921 55 V CB 2.125 33.993 31.823 0.075 0.000 1.009 55 V HN 0.451 nan 8.190 nan 0.000 0.426 56 I N 4.879 125.559 120.570 0.183 0.000 2.378 56 I HA 0.561 4.731 4.170 -0.000 0.000 0.291 56 I C -0.424 175.786 176.117 0.155 0.000 0.992 56 I CA -0.502 60.894 61.300 0.159 0.000 1.154 56 I CB 1.465 39.557 38.000 0.155 0.000 1.315 56 I HN 0.640 nan 8.210 nan 0.000 0.448 57 M N 5.660 125.328 119.600 0.114 0.000 2.444 57 M HA 0.437 4.917 4.480 -0.000 0.000 0.319 57 M C 0.725 177.146 176.300 0.202 0.000 1.183 57 M CA -0.439 54.939 55.300 0.130 0.000 1.032 57 M CB 1.408 34.013 32.600 0.009 0.000 1.569 57 M HN 0.652 nan 8.290 nan 0.000 0.468 58 G N 1.044 110.012 108.800 0.280 0.000 2.683 58 G HA2 0.183 4.142 3.960 -0.000 0.000 0.260 58 G HA3 0.183 4.142 3.960 -0.000 0.000 0.260 58 G C -1.735 173.218 174.900 0.090 0.000 1.238 58 G CA -1.010 44.198 45.100 0.179 0.000 0.934 58 G HN 0.522 nan 8.290 nan 0.000 0.534 59 P HA -0.110 nan 4.420 nan 0.000 0.218 59 P C 1.821 178.981 177.300 -0.233 0.000 1.148 59 P CA 1.693 64.728 63.100 -0.108 0.000 0.822 59 P CB -0.097 31.528 31.700 -0.124 0.000 0.784 60 G N -1.105 107.382 108.800 -0.522 0.000 2.448 60 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.219 60 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.219 60 G C 0.908 175.482 174.900 -0.543 0.000 1.127 60 G CA 0.368 44.876 45.100 -0.988 0.000 0.766 60 G HN 0.252 nan 8.290 nan 0.000 0.552 61 Y N -0.522 119.717 120.300 -0.102 0.000 2.468 61 Y HA 0.255 4.804 4.550 -0.000 0.000 0.268 61 Y C 1.257 177.186 175.900 0.048 0.000 1.177 61 Y CA -0.448 57.717 58.100 0.109 0.000 1.265 61 Y CB -0.312 38.247 38.460 0.165 0.000 1.103 61 Y HN 0.283 nan 8.280 nan 0.000 0.522 62 N N -0.499 118.262 118.700 0.102 0.000 2.829 62 N HA -0.179 4.560 4.740 -0.000 0.000 0.250 62 N C 0.696 176.249 175.510 0.071 0.000 1.090 62 N CA 0.140 53.228 53.050 0.064 0.000 0.781 62 N CB -0.954 37.580 38.487 0.077 0.000 1.124 62 N HN 0.567 nan 8.380 nan 0.000 0.559 63 G N 1.179 110.035 108.800 0.094 0.000 2.372 63 G HA2 -0.332 3.628 3.960 -0.000 0.000 0.297 63 G HA3 -0.332 3.628 3.960 -0.000 0.000 0.297 63 G C -0.276 174.670 174.900 0.077 0.000 1.005 63 G CA 0.921 46.069 45.100 0.079 0.000 1.173 63 G HN 0.657 nan 8.290 nan 0.000 0.511 64 E N -0.532 119.728 120.200 0.100 0.000 2.301 64 E HA 0.509 4.859 4.350 -0.000 0.000 0.275 64 E C 0.359 177.007 176.600 0.080 0.000 1.030 64 E CA -0.799 55.649 56.400 0.080 0.000 0.852 64 E CB 0.519 30.266 29.700 0.079 0.000 1.060 64 E HN 0.345 nan 8.360 nan 0.000 0.401 65 I N 5.481 126.109 120.570 0.097 0.000 2.354 65 I HA 0.278 4.448 4.170 -0.000 0.000 0.286 65 I C -0.222 176.034 176.117 0.231 0.000 1.007 65 I CA -0.413 60.980 61.300 0.155 0.000 1.167 65 I CB 0.907 38.985 38.000 0.129 0.000 1.320 65 I HN 0.459 nan 8.210 nan 0.000 0.458 66 K N 5.980 126.508 120.400 0.213 0.000 2.522 66 K HA 0.695 5.015 4.320 -0.000 0.000 0.275 66 K C -3.159 173.394 176.600 -0.078 0.000 1.006 66 K CA -2.086 54.269 56.287 0.113 0.000 0.890 66 K CB 1.505 34.012 32.500 0.011 0.000 1.475 66 K HN -0.018 nan 8.250 nan 0.000 0.441 67 P HA 0.232 nan 4.420 nan 0.000 0.268 67 P C -0.634 176.500 177.300 -0.276 0.000 1.204 67 P CA 0.242 62.979 63.100 -0.607 0.000 0.768 67 P CB 0.913 32.223 31.700 -0.650 0.000 0.842 68 G N 0.917 109.593 108.800 -0.205 0.000 2.356 68 G HA2 0.559 4.519 3.960 -0.000 0.000 0.294 68 G HA3 0.559 4.519 3.960 -0.000 0.000 0.294 68 G C -1.539 173.324 174.900 -0.060 0.000 1.423 68 G CA -0.608 44.427 45.100 -0.109 0.000 0.806 68 G HN 0.520 nan 8.290 nan 0.000 0.527 69 T N -2.280 112.250 114.554 -0.039 0.000 2.893 69 T HA 0.948 5.298 4.350 -0.000 0.000 0.291 69 T C -0.207 174.491 174.700 -0.003 0.000 1.028 69 T CA -0.076 62.015 62.100 -0.015 0.000 0.995 69 T CB 1.974 70.829 68.868 -0.022 0.000 1.051 69 T HN 2.209 nan 8.240 nan 0.000 0.470 70 A N 0.926 123.752 122.820 0.010 0.000 2.606 70 A HA 0.735 5.055 4.320 -0.000 0.000 0.293 70 A C 0.782 178.371 177.584 0.008 0.000 1.082 70 A CA -0.780 51.263 52.037 0.010 0.000 0.685 70 A CB 1.147 20.159 19.000 0.020 0.000 1.284 70 A HN 0.710 nan 8.150 nan 0.000 0.408 71 S N 0.807 116.507 115.700 0.001 0.000 2.414 71 S HA -0.040 4.430 4.470 -0.000 0.000 0.227 71 S C 0.891 175.487 174.600 -0.007 0.000 1.022 71 S CA 1.006 59.205 58.200 -0.002 0.000 0.958 71 S CB -0.281 62.916 63.200 -0.004 0.000 0.797 71 S HN 0.857 nan 8.310 nan 0.000 0.493 72 N N 1.139 119.823 118.700 -0.026 0.000 2.466 72 N HA 0.289 5.028 4.740 -0.000 0.000 0.294 72 N C -1.281 174.193 175.510 -0.059 0.000 1.129 72 N CA -0.203 52.812 53.050 -0.059 0.000 0.931 72 N CB 1.276 39.685 38.487 -0.130 0.000 1.193 72 N HN -0.165 nan 8.380 nan 0.000 0.500 73 T N 0.375 114.898 114.554 -0.052 0.000 2.886 73 T HA 0.260 4.610 4.350 -0.000 0.000 0.292 73 T C -0.904 173.800 174.700 0.006 0.000 1.012 73 T CA -0.437 61.673 62.100 0.017 0.000 0.982 73 T CB 0.874 69.803 68.868 0.101 0.000 1.018 73 T HN 0.448 nan 8.240 nan 0.000 0.451 74 W N 2.399 123.768 121.300 0.115 0.000 2.388 74 W HA 0.458 5.117 4.660 -0.000 0.000 0.308 74 W C 0.139 176.763 176.519 0.176 0.000 1.263 74 W CA -0.528 56.886 57.345 0.116 0.000 1.286 74 W CB 0.488 30.001 29.460 0.088 0.000 1.294 74 W HN 0.565 nan 8.180 nan 0.000 0.493 75 c N 3.300 122.224 118.600 0.540 0.000 2.630 75 c HA 0.613 5.182 4.570 -0.000 0.000 0.346 75 c C -0.758 173.713 174.090 0.634 0.000 1.245 75 c CA -0.826 55.818 56.329 0.524 0.000 1.804 75 c CB 1.333 44.179 42.510 0.559 0.000 2.279 75 c HN 0.508 nan 8.230 nan 0.000 0.498 76 Y N 0.443 121.025 120.300 0.470 0.000 2.553 76 Y HA 0.520 5.070 4.550 -0.000 0.000 0.347 76 Y C -2.671 173.393 175.900 0.274 0.000 1.019 76 Y CA -2.174 56.154 58.100 0.379 0.000 1.032 76 Y CB 1.711 40.281 38.460 0.184 0.000 1.284 76 Y HN 0.460 nan 8.280 nan 0.000 0.466 77 P HA 0.107 nan 4.420 nan 0.000 0.269 77 P C -0.059 177.083 177.300 -0.264 0.000 1.215 77 P CA 0.375 63.101 63.100 -0.623 0.000 0.780 77 P CB 0.683 31.989 31.700 -0.656 0.000 0.898 78 T N -1.972 112.443 114.554 -0.232 0.000 3.107 78 T HA 0.110 4.460 4.350 -0.000 0.000 0.249 78 T C 0.544 175.181 174.700 -0.104 0.000 1.096 78 T CA 0.234 62.278 62.100 -0.093 0.000 1.012 78 T CB -0.595 68.229 68.868 -0.074 0.000 0.977 78 T HN 0.330 nan 8.240 nan 0.000 0.527 79 N N 1.959 120.559 118.700 -0.166 0.000 2.732 79 N HA 0.230 4.970 4.740 -0.000 0.000 0.230 79 N C -3.063 172.349 175.510 -0.163 0.000 1.487 79 N CA -1.305 51.661 53.050 -0.141 0.000 0.765 79 N CB 0.975 39.379 38.487 -0.139 0.000 1.384 79 N HN 0.079 nan 8.380 nan 0.000 0.530 80 P HA 0.120 nan 4.420 nan 0.000 0.272 80 P C -0.348 176.941 177.300 -0.019 0.000 1.240 80 P CA -0.307 62.718 63.100 -0.125 0.000 0.791 80 P CB 1.111 32.775 31.700 -0.061 0.000 0.978 81 V N 1.848 121.778 119.914 0.026 0.000 2.461 81 V HA 0.161 4.281 4.120 -0.000 0.000 0.275 81 V C 0.871 177.053 176.094 0.145 0.000 1.047 81 V CA -0.012 62.331 62.300 0.071 0.000 0.955 81 V CB 0.660 32.511 31.823 0.047 0.000 0.988 81 V HN 0.643 nan 8.190 nan 0.000 0.471 82 T N 2.647 117.306 114.554 0.174 0.000 2.847 82 T HA 0.527 4.876 4.350 -0.000 0.000 0.279 82 T C 0.999 175.824 174.700 0.208 0.000 0.984 82 T CA 0.367 62.619 62.100 0.252 0.000 0.988 82 T CB 1.177 70.153 68.868 0.180 0.000 1.040 82 T HN 1.414 nan 8.240 nan 0.000 0.528 83 G N 1.666 110.626 108.800 0.266 0.000 2.333 83 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.296 83 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.296 83 G C -0.129 174.911 174.900 0.232 0.000 1.059 83 G CA -0.206 45.043 45.100 0.249 0.000 1.050 83 G HN 0.754 nan 8.290 nan 0.000 0.508 84 E N -0.879 119.252 120.200 -0.115 0.000 2.415 84 E HA 0.209 4.559 4.350 -0.000 0.000 0.262 84 E C 1.089 177.586 176.600 -0.173 0.000 1.038 84 E CA -0.192 56.074 56.400 -0.224 0.000 0.921 84 E CB 0.913 30.206 29.700 -0.678 0.000 0.950 84 E HN 0.456 nan 8.360 nan 0.000 0.438 85 I N 4.626 124.994 120.570 -0.337 0.000 2.505 85 I HA 0.033 4.203 4.170 -0.000 0.000 0.287 85 I C -1.929 174.024 176.117 -0.273 0.000 1.104 85 I CA -1.684 59.336 61.300 -0.467 0.000 1.387 85 I CB -0.016 37.570 38.000 -0.690 0.000 1.404 85 I HN 0.170 nan 8.210 nan 0.000 0.528 86 P HA 0.017 nan 4.420 nan 0.000 0.268 86 P C -0.608 176.613 177.300 -0.132 0.000 1.208 86 P CA 0.040 63.066 63.100 -0.123 0.000 0.777 86 P CB 0.410 32.051 31.700 -0.098 0.000 0.875 87 T N 3.177 117.675 114.554 -0.093 0.000 2.821 87 T HA 0.378 4.727 4.350 -0.000 0.000 0.307 87 T C 0.431 175.090 174.700 -0.068 0.000 1.034 87 T CA -0.452 61.595 62.100 -0.088 0.000 0.953 87 T CB -0.098 68.726 68.868 -0.074 0.000 0.968 87 T HN 0.144 nan 8.240 nan 0.000 0.462 88 L N 1.554 122.735 121.223 -0.070 0.000 2.470 88 L HA 0.386 4.725 4.340 -0.000 0.000 0.243 88 L C 1.016 177.860 176.870 -0.043 0.000 1.227 88 L CA -0.751 54.056 54.840 -0.054 0.000 0.824 88 L CB 0.201 42.228 42.059 -0.054 0.000 1.175 88 L HN 0.486 nan 8.230 nan 0.000 0.503 89 S N -0.038 115.640 115.700 -0.036 0.000 2.565 89 S HA 0.438 4.908 4.470 -0.000 0.000 0.274 89 S C 0.215 174.802 174.600 -0.023 0.000 1.309 89 S CA -0.824 57.358 58.200 -0.030 0.000 1.043 89 S CB 1.460 64.643 63.200 -0.030 0.000 0.939 89 S HN 0.643 nan 8.310 nan 0.000 0.504 90 A N 1.652 124.460 122.820 -0.019 0.000 2.536 90 A HA 0.267 4.587 4.320 -0.000 0.000 0.234 90 A C -0.153 177.430 177.584 -0.003 0.000 1.076 90 A CA -0.123 51.910 52.037 -0.007 0.000 0.769 90 A CB -0.177 18.820 19.000 -0.006 0.000 1.020 90 A HN 0.684 nan 8.150 nan 0.000 0.508 91 L N 1.726 122.956 121.223 0.012 0.000 2.301 91 L HA 0.378 4.717 4.340 -0.000 0.000 0.278 91 L C -1.024 175.854 176.870 0.014 0.000 1.022 91 L CA -0.426 54.421 54.840 0.012 0.000 0.854 91 L CB 0.801 42.876 42.059 0.027 0.000 1.226 91 L HN 0.573 nan 8.230 nan 0.000 0.429 92 D N 6.064 126.464 120.400 0.001 0.000 2.343 92 D HA 0.288 4.928 4.640 -0.000 0.000 0.255 92 D C -0.117 176.179 176.300 -0.006 0.000 1.187 92 D CA 0.496 54.496 54.000 -0.001 0.000 0.875 92 D CB 1.445 42.239 40.800 -0.010 0.000 1.136 92 D HN 0.455 nan 8.370 nan 0.000 0.469 93 I N 4.777 125.346 120.570 -0.002 0.000 2.378 93 I HA 0.211 4.381 4.170 -0.000 0.000 0.291 93 I C -1.905 174.197 176.117 -0.024 0.000 0.992 93 I CA -1.970 59.319 61.300 -0.018 0.000 1.154 93 I CB 2.034 40.025 38.000 -0.016 0.000 1.315 93 I HN 0.071 nan 8.210 nan 0.000 0.448 94 P HA 0.059 nan 4.420 nan 0.000 0.272 94 P C -0.743 176.515 177.300 -0.070 0.000 1.240 94 P CA -0.271 62.808 63.100 -0.035 0.000 0.791 94 P CB 0.748 32.429 31.700 -0.031 0.000 0.978 95 D N -1.072 119.301 120.400 -0.044 0.000 2.378 95 D HA 0.439 5.079 4.640 -0.000 0.000 0.238 95 D C 0.531 176.576 176.300 -0.425 0.000 1.180 95 D CA 1.064 55.023 54.000 -0.067 0.000 0.895 95 D CB 0.262 41.163 40.800 0.168 0.000 1.192 95 D HN 0.671 nan 8.370 nan 0.000 0.438 96 G N 1.116 109.556 108.800 -0.601 0.000 2.324 96 G HA2 0.147 4.107 3.960 -0.000 0.000 0.293 96 G HA3 0.147 4.107 3.960 -0.000 0.000 0.293 96 G C -1.506 173.157 174.900 -0.395 0.000 1.297 96 G CA -0.810 43.641 45.100 -1.081 0.000 0.853 96 G HN 0.461 nan 8.290 nan 0.000 0.535 97 D N 0.124 120.384 120.400 -0.233 0.000 2.372 97 D HA 0.181 4.821 4.640 -0.000 0.000 0.243 97 D C 1.406 177.658 176.300 -0.081 0.000 1.121 97 D CA 0.018 53.986 54.000 -0.053 0.000 0.898 97 D CB 1.987 42.790 40.800 0.005 0.000 1.202 97 D HN 0.634 nan 8.370 nan 0.000 0.428 98 E N 0.863 121.021 120.200 -0.070 0.000 2.095 98 E HA -0.286 4.064 4.350 -0.000 0.000 0.212 98 E C 1.873 178.449 176.600 -0.040 0.000 1.044 98 E CA 2.644 58.989 56.400 -0.092 0.000 0.857 98 E CB 0.063 29.733 29.700 -0.050 0.000 0.764 98 E HN 0.421 nan 8.360 nan 0.000 0.462 99 V N -0.200 119.725 119.914 0.018 0.000 2.324 99 V HA -0.271 3.849 4.120 -0.000 0.000 0.250 99 V C 1.894 178.067 176.094 0.132 0.000 1.060 99 V CA 2.347 64.723 62.300 0.127 0.000 1.042 99 V CB -0.795 31.094 31.823 0.109 0.000 0.650 99 V HN 0.177 nan 8.190 nan 0.000 0.450 100 D N 0.578 120.997 120.400 0.032 0.000 2.144 100 D HA -0.106 4.533 4.640 -0.000 0.000 0.199 100 D C 2.315 178.619 176.300 0.007 0.000 0.984 100 D CA 1.737 55.751 54.000 0.024 0.000 0.834 100 D CB -0.113 40.649 40.800 -0.063 0.000 0.955 100 D HN 0.469 nan 8.370 nan 0.000 0.465 101 V N 1.104 120.980 119.914 -0.063 0.000 2.307 101 V HA -0.247 3.873 4.120 -0.000 0.000 0.245 101 V C 2.535 178.564 176.094 -0.109 0.000 1.045 101 V CA 1.580 63.826 62.300 -0.090 0.000 1.024 101 V CB -0.490 31.262 31.823 -0.118 0.000 0.651 101 V HN 0.163 nan 8.190 nan 0.000 0.449 102 Q N -1.194 118.525 119.800 -0.134 0.000 2.084 102 Q HA -0.250 4.090 4.340 -0.000 0.000 0.202 102 Q C 2.146 177.930 176.000 -0.360 0.000 0.978 102 Q CA 2.065 57.703 55.803 -0.275 0.000 0.844 102 Q CB -0.278 28.347 28.738 -0.189 0.000 0.898 102 Q HN 0.828 nan 8.270 nan 0.000 0.426 103 W N 1.840 122.891 121.300 -0.416 0.000 2.333 103 W HA -0.231 4.429 4.660 -0.000 0.000 0.316 103 W C 1.633 177.935 176.519 -0.362 0.000 1.215 103 W CA 1.445 58.462 57.345 -0.546 0.000 1.278 103 W CB -0.078 29.192 29.460 -0.318 0.000 1.154 103 W HN 0.101 nan 8.180 nan 0.000 0.486 104 R N -0.054 120.317 120.500 -0.216 0.000 2.127 104 R HA -0.222 4.118 4.340 -0.000 0.000 0.238 104 R C 2.142 178.251 176.300 -0.317 0.000 1.134 104 R CA 1.670 57.621 56.100 -0.248 0.000 0.975 104 R CB -0.781 29.457 30.300 -0.103 0.000 0.865 104 R HN 0.236 nan 8.270 nan 0.000 0.447 105 L N 0.035 121.046 121.223 -0.354 0.000 2.071 105 L HA -0.030 4.309 4.340 -0.000 0.000 0.201 105 L C 2.005 178.490 176.870 -0.642 0.000 1.076 105 L CA 1.491 56.102 54.840 -0.382 0.000 0.755 105 L CB -0.575 41.285 42.059 -0.332 0.000 0.915 105 L HN -0.148 nan 8.230 nan 0.000 0.445 106 V N 0.188 119.565 119.914 -0.896 0.000 2.343 106 V HA -0.311 3.808 4.120 -0.000 0.000 0.247 106 V C 2.569 178.301 176.094 -0.604 0.000 1.051 106 V CA 2.101 63.782 62.300 -1.030 0.000 1.036 106 V CB -1.049 30.161 31.823 -1.021 0.000 0.654 106 V HN 0.675 nan 8.190 nan 0.000 0.451 107 H N -0.604 117.890 119.070 -0.961 0.000 2.556 107 H HA 0.010 4.566 4.556 -0.000 0.000 0.268 107 H C 0.630 175.654 175.328 -0.508 0.000 0.996 107 H CA -0.100 55.377 56.048 -0.951 0.000 1.157 107 H CB 0.137 28.792 29.762 -1.844 0.000 1.355 107 H HN 0.383 nan 8.280 nan 0.000 0.597 108 D N 0.634 120.793 120.400 -0.400 0.000 2.339 108 D HA -0.050 4.590 4.640 -0.000 0.000 0.256 108 D C 0.885 177.094 176.300 -0.152 0.000 1.214 108 D CA 0.138 53.978 54.000 -0.267 0.000 0.877 108 D CB 1.686 42.401 40.800 -0.141 0.000 1.111 108 D HN 0.202 nan 8.370 nan 0.000 0.478 109 S N 3.089 118.667 115.700 -0.203 0.000 2.345 109 S HA -0.111 4.359 4.470 -0.000 0.000 0.219 109 S C 1.913 176.478 174.600 -0.058 0.000 1.031 109 S CA 1.270 59.397 58.200 -0.122 0.000 0.984 109 S CB -0.008 63.107 63.200 -0.140 0.000 0.874 109 S HN 0.632 nan 8.310 nan 0.000 0.451 110 A N 2.162 124.946 122.820 -0.061 0.000 1.877 110 A HA -0.070 4.249 4.320 -0.000 0.000 0.216 110 A C 1.874 179.448 177.584 -0.018 0.000 1.186 110 A CA 1.678 53.693 52.037 -0.037 0.000 0.620 110 A CB -0.595 18.377 19.000 -0.046 0.000 0.822 110 A HN 0.660 nan 8.150 nan 0.000 0.443 111 N N -2.777 115.921 118.700 -0.004 0.000 2.392 111 N HA 0.117 4.857 4.740 -0.000 0.000 0.177 111 N C 0.889 176.464 175.510 0.108 0.000 1.066 111 N CA 0.811 53.882 53.050 0.034 0.000 0.895 111 N CB 0.223 38.729 38.487 0.032 0.000 0.988 111 N HN 0.544 nan 8.380 nan 0.000 0.457 112 F N 0.588 120.494 119.950 -0.073 0.000 2.268 112 F HA 0.358 4.884 4.527 -0.000 0.000 0.262 112 F C 1.874 177.644 175.800 -0.050 0.000 0.910 112 F CA -0.229 57.734 58.000 -0.063 0.000 1.142 112 F CB -0.269 38.663 39.000 -0.113 0.000 1.229 112 F HN -0.282 nan 8.300 nan 0.000 0.781 113 I N 0.770 121.350 120.570 0.017 0.000 2.099 113 I HA -0.308 3.862 4.170 -0.000 0.000 0.239 113 I C 2.263 178.314 176.117 -0.109 0.000 1.066 113 I CA 1.670 62.936 61.300 -0.057 0.000 1.324 113 I CB -0.529 37.468 38.000 -0.005 0.000 1.037 113 I HN 0.102 nan 8.210 nan 0.000 0.401 114 K N 0.962 121.334 120.400 -0.047 0.000 1.991 114 K HA -0.155 4.164 4.320 -0.000 0.000 0.212 114 K C -0.530 176.126 176.600 0.093 0.000 1.049 114 K CA 1.981 58.288 56.287 0.032 0.000 0.932 114 K CB -1.334 31.214 32.500 0.080 0.000 0.717 114 K HN 0.136 nan 8.250 nan 0.000 0.441 115 P HA -0.150 nan 4.420 nan 0.000 0.215 115 P C 1.056 178.321 177.300 -0.057 0.000 1.157 115 P CA 2.214 65.317 63.100 0.004 0.000 0.868 115 P CB -0.223 31.439 31.700 -0.064 0.000 0.788 116 T N -4.095 110.317 114.554 -0.237 0.000 2.867 116 T HA -0.054 4.296 4.350 -0.000 0.000 0.268 116 T C 1.959 176.569 174.700 -0.149 0.000 1.057 116 T CA 1.427 63.376 62.100 -0.251 0.000 1.136 116 T CB -1.248 67.317 68.868 -0.504 0.000 0.874 116 T HN -0.056 nan 8.240 nan 0.000 0.466 117 S N 0.753 116.360 115.700 -0.155 0.000 2.356 117 S HA -0.011 4.459 4.470 -0.000 0.000 0.223 117 S C 1.701 176.183 174.600 -0.198 0.000 1.032 117 S CA 0.959 59.055 58.200 -0.173 0.000 1.005 117 S CB -0.626 62.439 63.200 -0.226 0.000 0.867 117 S HN 0.566 nan 8.310 nan 0.000 0.449 118 Y N 1.338 121.537 120.300 -0.168 0.000 2.224 118 Y HA -0.075 4.475 4.550 -0.000 0.000 0.289 118 Y C 2.178 177.908 175.900 -0.284 0.000 1.146 118 Y CA 0.657 58.565 58.100 -0.321 0.000 1.182 118 Y CB -0.520 37.774 38.460 -0.277 0.000 0.983 118 Y HN 0.185 nan 8.280 nan 0.000 0.524 119 L N 0.129 121.398 121.223 0.077 0.000 1.989 119 L HA -0.178 4.162 4.340 -0.000 0.000 0.211 119 L C 2.384 179.304 176.870 0.083 0.000 1.071 119 L CA 2.185 57.109 54.840 0.140 0.000 0.749 119 L CB -1.183 40.914 42.059 0.063 0.000 0.890 119 L HN 0.115 nan 8.230 nan 0.000 0.431 120 A N -1.420 121.401 122.820 0.002 0.000 1.933 120 A HA -0.308 4.012 4.320 -0.000 0.000 0.218 120 A C 2.276 179.932 177.584 0.120 0.000 1.175 120 A CA 1.869 53.905 52.037 -0.001 0.000 0.628 120 A CB -1.093 17.821 19.000 -0.143 0.000 0.814 120 A HN 0.787 nan 8.150 nan 0.000 0.444 121 H N -1.770 117.247 119.070 -0.088 0.000 2.299 121 H HA -0.158 4.398 4.556 -0.000 0.000 0.302 121 H C 1.695 177.036 175.328 0.023 0.000 1.078 121 H CA 2.122 58.102 56.048 -0.113 0.000 1.323 121 H CB -0.427 29.148 29.762 -0.312 0.000 1.381 121 H HN 0.469 nan 8.280 nan 0.000 0.498 122 Y N -0.487 119.816 120.300 0.005 0.000 2.333 122 Y HA -0.072 4.477 4.550 -0.000 0.000 0.290 122 Y C 2.170 178.091 175.900 0.034 0.000 1.144 122 Y CA 0.602 58.693 58.100 -0.014 0.000 1.228 122 Y CB -0.465 38.067 38.460 0.121 0.000 0.985 122 Y HN 0.261 nan 8.280 nan 0.000 0.542 123 L N -1.331 119.970 121.223 0.129 0.000 2.492 123 L HA 0.177 4.517 4.340 -0.000 0.000 0.223 123 L C 1.931 178.795 176.870 -0.010 0.000 1.132 123 L CA 1.438 56.252 54.840 -0.043 0.000 0.850 123 L CB -0.507 41.359 42.059 -0.322 0.000 0.966 123 L HN 0.364 nan 8.230 nan 0.000 0.454 124 G N -3.238 105.562 108.800 -0.001 0.000 2.229 124 G HA2 -0.267 3.693 3.960 -0.000 0.000 0.189 124 G HA3 -0.267 3.693 3.960 -0.000 0.000 0.189 124 G C 0.130 174.907 174.900 -0.204 0.000 1.000 124 G CA -0.404 44.624 45.100 -0.120 0.000 0.663 124 G HN 0.136 nan 8.290 nan 0.000 0.493 125 Y N 1.593 121.829 120.300 -0.107 0.000 2.597 125 Y HA 0.407 4.957 4.550 -0.000 0.000 0.336 125 Y C 1.039 176.783 175.900 -0.261 0.000 1.216 125 Y CA 0.895 58.914 58.100 -0.136 0.000 1.463 125 Y CB 0.814 39.248 38.460 -0.044 0.000 1.303 125 Y HN 0.472 nan 8.280 nan 0.000 0.576 126 A N 2.972 125.569 122.820 -0.372 0.000 2.305 126 A HA 0.575 4.895 4.320 -0.000 0.000 0.322 126 A C -1.278 176.082 177.584 -0.374 0.000 1.187 126 A CA -0.738 50.886 52.037 -0.689 0.000 0.825 126 A CB -0.067 18.087 19.000 -1.410 0.000 1.164 126 A HN 0.994 nan 8.150 nan 0.000 0.498 127 W N 0.791 122.062 121.300 -0.047 0.000 5.299 127 W HA -0.113 4.547 4.660 -0.000 0.000 0.428 127 W C -0.470 176.048 176.519 -0.002 0.000 1.705 127 W CA -0.262 57.081 57.345 -0.002 0.000 0.910 127 W CB -1.576 27.902 29.460 0.030 0.000 2.924 127 W HN 0.468 nan 8.180 nan 0.000 1.236 128 V N 2.377 122.376 119.914 0.143 0.000 2.180 128 V HA 0.816 4.936 4.120 -0.000 0.000 0.265 128 V C 0.858 176.963 176.094 0.019 0.000 1.214 128 V CA 0.256 62.590 62.300 0.056 0.000 1.130 128 V CB 0.513 32.323 31.823 -0.022 0.000 1.266 128 V HN 0.631 nan 8.190 nan 0.000 0.473 129 G N 1.400 110.251 108.800 0.084 0.000 2.358 129 G HA2 0.486 4.446 3.960 -0.000 0.000 0.301 129 G HA3 0.486 4.446 3.960 -0.000 0.000 0.301 129 G C -0.351 174.609 174.900 0.100 0.000 1.539 129 G CA -0.138 44.999 45.100 0.062 0.000 0.893 129 G HN 0.706 nan 8.290 nan 0.000 0.636 130 G N -0.715 108.143 108.800 0.097 0.000 2.537 130 G HA2 0.449 4.409 3.960 -0.000 0.000 0.273 130 G HA3 0.449 4.409 3.960 -0.000 0.000 0.273 130 G C 0.732 175.693 174.900 0.101 0.000 1.189 130 G CA -0.287 44.884 45.100 0.119 0.000 0.881 130 G HN 0.866 nan 8.290 nan 0.000 0.535 131 N N -0.354 118.379 118.700 0.055 0.000 2.416 131 N HA -0.017 4.723 4.740 -0.000 0.000 0.215 131 N C 0.056 175.487 175.510 -0.131 0.000 1.208 131 N CA 0.198 53.214 53.050 -0.057 0.000 0.834 131 N CB 0.229 38.630 38.487 -0.143 0.000 1.072 131 N HN 0.570 nan 8.380 nan 0.000 0.472 132 H N -0.902 118.175 119.070 0.013 0.000 2.874 132 H HA 0.222 4.777 4.556 -0.000 0.000 0.264 132 H C 0.079 175.427 175.328 0.034 0.000 1.007 132 H CA -0.031 56.030 56.048 0.022 0.000 1.207 132 H CB 0.840 30.619 29.762 0.030 0.000 1.487 132 H HN 0.118 nan 8.280 nan 0.000 0.505 133 S N -0.171 115.612 115.700 0.139 0.000 2.526 133 S HA 0.175 4.645 4.470 -0.000 0.000 0.293 133 S C 0.479 175.091 174.600 0.021 0.000 1.092 133 S CA -0.695 57.573 58.200 0.113 0.000 0.980 133 S CB 1.648 64.940 63.200 0.153 0.000 1.048 133 S HN 0.314 nan 8.310 nan 0.000 0.483 134 Q N 1.648 121.395 119.800 -0.088 0.000 2.331 134 Q HA 0.077 4.417 4.340 -0.000 0.000 0.203 134 Q C -0.521 175.212 176.000 -0.444 0.000 0.944 134 Q CA 0.830 56.451 55.803 -0.304 0.000 0.892 134 Q CB -0.000 28.441 28.738 -0.494 0.000 0.983 134 Q HN 0.712 nan 8.270 nan 0.000 0.482 135 Y N 0.610 120.910 120.300 -0.000 0.000 2.301 135 Y HA 0.217 4.767 4.550 -0.000 0.000 0.325 135 Y C 0.415 176.241 175.900 -0.124 0.000 1.203 135 Y CA -1.231 56.842 58.100 -0.045 0.000 1.255 135 Y CB 0.669 39.123 38.460 -0.009 0.000 1.232 135 Y HN -0.180 nan 8.280 nan 0.000 0.501 136 V N 2.201 122.029 119.914 -0.144 0.000 2.811 136 V HA 0.496 4.616 4.120 -0.000 0.000 0.302 136 V C 0.883 176.757 176.094 -0.367 0.000 1.063 136 V CA 0.268 62.342 62.300 -0.376 0.000 1.088 136 V CB 0.473 31.815 31.823 -0.802 0.000 0.982 136 V HN 1.159 nan 8.190 nan 0.000 0.485 137 G N 3.440 112.078 108.800 -0.270 0.000 2.147 137 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.244 137 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.244 137 G C -0.079 174.783 174.900 -0.062 0.000 1.005 137 G CA 0.556 45.548 45.100 -0.181 0.000 0.713 137 G HN 1.019 nan 8.290 nan 0.000 0.515 138 E N -0.833 119.358 120.200 -0.015 0.000 2.336 138 E HA 0.492 4.842 4.350 -0.000 0.000 0.267 138 E C -0.023 176.609 176.600 0.053 0.000 0.906 138 E CA -0.591 55.828 56.400 0.031 0.000 0.781 138 E CB 1.394 31.139 29.700 0.075 0.000 1.261 138 E HN 0.109 nan 8.360 nan 0.000 0.436 139 D N 1.245 121.676 120.400 0.053 0.000 2.699 139 D HA -0.191 4.449 4.640 -0.000 0.000 0.239 139 D C -1.312 175.026 176.300 0.064 0.000 1.136 139 D CA 0.619 54.652 54.000 0.055 0.000 0.668 139 D CB -0.612 40.257 40.800 0.115 0.000 1.060 139 D HN 0.208 nan 8.370 nan 0.000 0.429 140 M N 1.317 120.951 119.600 0.056 0.000 2.180 140 M HA 0.327 4.807 4.480 -0.000 0.000 0.350 140 M C -0.735 175.622 176.300 0.094 0.000 1.125 140 M CA -0.500 54.842 55.300 0.070 0.000 1.031 140 M CB 1.342 33.974 32.600 0.053 0.000 1.623 140 M HN -0.068 nan 8.290 nan 0.000 0.451 141 D N 3.057 123.521 120.400 0.107 0.000 2.313 141 D HA 0.222 4.862 4.640 -0.000 0.000 0.239 141 D C -0.821 175.580 176.300 0.169 0.000 1.142 141 D CA -0.025 54.053 54.000 0.130 0.000 0.847 141 D CB 1.420 42.289 40.800 0.115 0.000 1.082 141 D HN 0.408 nan 8.370 nan 0.000 0.480 142 V N 2.993 123.034 119.914 0.212 0.000 2.333 142 V HA 0.412 4.532 4.120 -0.000 0.000 0.274 142 V C -0.303 176.032 176.094 0.401 0.000 1.028 142 V CA 0.174 62.641 62.300 0.278 0.000 0.851 142 V CB 1.202 33.138 31.823 0.189 0.000 1.000 142 V HN 0.419 nan 8.190 nan 0.000 0.456 143 T N 6.084 120.873 114.554 0.391 0.000 2.885 143 T HA 0.516 4.866 4.350 -0.000 0.000 0.285 143 T C -0.424 174.470 174.700 0.323 0.000 1.019 143 T CA -0.584 61.718 62.100 0.337 0.000 1.010 143 T CB 1.418 70.396 68.868 0.183 0.000 1.022 143 T HN 0.867 nan 8.240 nan 0.000 0.466 144 R N 2.257 122.799 120.500 0.070 0.000 2.347 144 R HA 0.296 4.636 4.340 -0.000 0.000 0.304 144 R C -0.817 175.368 176.300 -0.192 0.000 1.072 144 R CA -0.201 55.688 56.100 -0.352 0.000 0.980 144 R CB 0.185 30.194 30.300 -0.486 0.000 0.986 144 R HN 0.485 nan 8.270 nan 0.000 0.448 145 D N 3.905 124.180 120.400 -0.208 0.000 2.456 145 D HA 0.357 4.997 4.640 -0.000 0.000 0.287 145 D C 0.687 176.918 176.300 -0.115 0.000 1.186 145 D CA 0.720 54.665 54.000 -0.091 0.000 0.916 145 D CB 0.308 41.109 40.800 0.002 0.000 1.029 145 D HN 0.675 nan 8.370 nan 0.000 0.498 146 G N 3.840 112.561 108.800 -0.132 0.000 2.720 146 G HA2 -0.364 3.596 3.960 -0.000 0.000 0.293 146 G HA3 -0.364 3.596 3.960 -0.000 0.000 0.293 146 G C 0.801 175.608 174.900 -0.155 0.000 1.256 146 G CA 0.619 45.655 45.100 -0.107 0.000 0.974 146 G HN 0.548 nan 8.290 nan 0.000 0.551 147 D N 1.627 121.966 120.400 -0.103 0.000 2.423 147 D HA 0.346 4.985 4.640 -0.000 0.000 0.212 147 D C 1.465 177.709 176.300 -0.093 0.000 1.060 147 D CA 1.427 55.377 54.000 -0.083 0.000 0.872 147 D CB -0.465 40.351 40.800 0.027 0.000 1.012 147 D HN 0.968 nan 8.370 nan 0.000 0.503 148 G N -0.572 108.192 108.800 -0.060 0.000 2.543 148 G HA2 0.459 4.419 3.960 -0.000 0.000 0.267 148 G HA3 0.459 4.419 3.960 -0.000 0.000 0.267 148 G C -1.293 173.482 174.900 -0.208 0.000 1.406 148 G CA -0.732 44.409 45.100 0.069 0.000 1.048 148 G HN 0.139 nan 8.290 nan 0.000 0.548 149 W N -2.059 119.342 121.300 0.168 0.000 3.107 149 W HA 0.524 5.184 4.660 -0.000 0.000 0.331 149 W C -0.708 175.891 176.519 0.134 0.000 1.204 149 W CA -0.818 56.611 57.345 0.140 0.000 1.184 149 W CB 2.020 31.563 29.460 0.137 0.000 1.421 149 W HN 0.399 nan 8.180 nan 0.000 0.544 150 V N 2.042 122.183 119.914 0.378 0.000 2.588 150 V HA 0.737 4.857 4.120 -0.000 0.000 0.304 150 V C -1.328 174.919 176.094 0.255 0.000 1.042 150 V CA -0.963 61.494 62.300 0.261 0.000 0.877 150 V CB 1.305 33.234 31.823 0.177 0.000 0.996 150 V HN 0.439 nan 8.190 nan 0.000 0.425 151 I N 6.329 127.027 120.570 0.214 0.000 2.355 151 I HA 0.708 4.878 4.170 -0.000 0.000 0.288 151 I C 0.070 176.266 176.117 0.132 0.000 0.999 151 I CA -0.100 61.305 61.300 0.176 0.000 1.163 151 I CB 1.452 39.552 38.000 0.168 0.000 1.316 151 I HN 0.847 nan 8.210 nan 0.000 0.454 152 R N 4.067 124.642 120.500 0.125 0.000 2.673 152 R HA 0.731 5.071 4.340 -0.000 0.000 0.281 152 R C -0.276 176.086 176.300 0.104 0.000 0.991 152 R CA -0.775 55.392 56.100 0.112 0.000 0.896 152 R CB 1.712 32.082 30.300 0.117 0.000 1.201 152 R HN 0.746 nan 8.270 nan 0.000 0.457 153 G N 2.743 111.604 108.800 0.101 0.000 2.432 153 G HA2 -0.055 3.904 3.960 -0.000 0.000 0.239 153 G HA3 -0.055 3.904 3.960 -0.000 0.000 0.239 153 G C -0.242 174.718 174.900 0.100 0.000 1.291 153 G CA -0.410 44.749 45.100 0.098 0.000 0.863 153 G HN 0.712 nan 8.290 nan 0.000 0.560 154 N N 1.076 119.841 118.700 0.109 0.000 2.416 154 N HA -0.027 4.713 4.740 -0.000 0.000 0.246 154 N C 0.307 175.884 175.510 0.112 0.000 1.260 154 N CA -0.108 53.014 53.050 0.119 0.000 0.897 154 N CB 0.734 39.307 38.487 0.144 0.000 1.110 154 N HN 0.450 nan 8.380 nan 0.000 0.439 155 N N 1.042 119.797 118.700 0.092 0.000 2.171 155 N HA 0.059 4.799 4.740 -0.000 0.000 0.212 155 N C -1.071 174.462 175.510 0.037 0.000 1.184 155 N CA -0.227 52.851 53.050 0.046 0.000 0.888 155 N CB 0.164 38.670 38.487 0.031 0.000 1.038 155 N HN 0.566 nan 8.380 nan 0.000 0.517 156 D N 1.010 121.468 120.400 0.096 0.000 2.583 156 D HA 0.284 4.924 4.640 -0.000 0.000 0.232 156 D C 1.322 177.620 176.300 -0.003 0.000 1.128 156 D CA 1.463 55.514 54.000 0.085 0.000 0.859 156 D CB 0.235 41.155 40.800 0.200 0.000 1.169 156 D HN 0.408 nan 8.370 nan 0.000 0.481 157 G N 1.037 109.827 108.800 -0.018 0.000 2.681 157 G HA2 0.187 4.146 3.960 -0.000 0.000 0.220 157 G HA3 0.187 4.146 3.960 -0.000 0.000 0.220 157 G C 0.290 175.149 174.900 -0.069 0.000 1.353 157 G CA -0.457 44.609 45.100 -0.055 0.000 0.872 157 G HN 0.780 nan 8.290 nan 0.000 0.557 158 G N -1.464 107.286 108.800 -0.083 0.000 2.461 158 G HA2 0.793 4.753 3.960 -0.000 0.000 0.329 158 G HA3 0.793 4.753 3.960 -0.000 0.000 0.329 158 G C 0.418 175.245 174.900 -0.122 0.000 1.170 158 G CA 0.613 45.659 45.100 -0.090 0.000 0.935 158 G HN 2.178 nan 8.290 nan 0.000 0.492 159 c N -1.120 117.394 118.600 -0.144 0.000 3.028 159 c HA 0.885 5.455 4.570 -0.000 0.000 0.338 159 c C -0.973 173.011 174.090 -0.177 0.000 1.366 159 c CA -1.062 55.151 56.329 -0.193 0.000 1.610 159 c CB 1.687 44.025 42.510 -0.287 0.000 2.063 159 c HN 0.629 nan 8.230 nan 0.000 0.463 160 D N -0.748 119.535 120.400 -0.195 0.000 2.575 160 D HA 0.647 5.287 4.640 -0.000 0.000 0.250 160 D C -0.224 176.017 176.300 -0.099 0.000 1.279 160 D CA 0.961 54.893 54.000 -0.114 0.000 0.925 160 D CB 1.245 42.014 40.800 -0.052 0.000 1.261 160 D HN 1.521 nan 8.370 nan 0.000 0.567 161 G N 1.945 110.723 108.800 -0.037 0.000 2.368 161 G HA2 0.176 4.135 3.960 -0.000 0.000 0.303 161 G HA3 0.176 4.135 3.960 -0.000 0.000 0.303 161 G C -1.670 173.394 174.900 0.275 0.000 1.590 161 G CA -1.189 44.035 45.100 0.206 0.000 0.938 161 G HN 0.275 nan 8.290 nan 0.000 0.675 162 Y N 2.150 122.638 120.300 0.314 0.000 2.804 162 Y HA 0.266 4.816 4.550 -0.000 0.000 0.338 162 Y C 1.582 177.692 175.900 0.350 0.000 1.252 162 Y CA 1.375 59.613 58.100 0.230 0.000 1.576 162 Y CB 0.218 38.778 38.460 0.167 0.000 1.223 162 Y HN 0.956 nan 8.280 nan 0.000 0.536 163 R N 2.703 123.172 120.500 -0.051 0.000 3.758 163 R HA -0.262 4.077 4.340 -0.000 0.000 0.299 163 R C 1.133 177.571 176.300 0.229 0.000 1.182 163 R CA 0.987 57.129 56.100 0.069 0.000 0.809 163 R CB -2.024 28.325 30.300 0.083 0.000 1.249 163 R HN 0.925 nan 8.270 nan 0.000 0.497 164 c N -3.507 114.979 118.600 -0.190 0.000 2.460 164 c HA 0.169 4.739 4.570 -0.000 0.000 0.291 164 c C 2.119 175.875 174.090 -0.557 0.000 1.493 164 c CA 0.230 55.891 56.329 -1.114 0.000 1.748 164 c CB -0.961 40.721 42.510 -1.378 0.000 1.656 164 c HN 0.619 nan 8.230 nan 0.000 0.576 165 G N -0.364 108.314 108.800 -0.204 0.000 2.939 165 G HA2 0.105 4.065 3.960 -0.000 0.000 0.210 165 G HA3 0.105 4.065 3.960 -0.000 0.000 0.210 165 G C 0.125 175.044 174.900 0.031 0.000 1.160 165 G CA 0.157 45.202 45.100 -0.093 0.000 0.770 165 G HN 0.512 nan 8.290 nan 0.000 0.543 166 D N 1.843 122.329 120.400 0.144 0.000 2.767 166 D HA 0.191 4.831 4.640 -0.000 0.000 0.241 166 D C 0.248 176.755 176.300 0.345 0.000 1.187 166 D CA -0.056 54.115 54.000 0.285 0.000 0.999 166 D CB 0.470 41.540 40.800 0.450 0.000 1.042 166 D HN 0.026 nan 8.370 nan 0.000 0.510 167 K N 0.610 121.146 120.400 0.225 0.000 2.436 167 K HA 0.101 4.421 4.320 -0.000 0.000 0.275 167 K C 0.639 177.372 176.600 0.222 0.000 0.999 167 K CA 0.009 56.437 56.287 0.234 0.000 0.980 167 K CB 0.359 32.952 32.500 0.155 0.000 0.919 167 K HN 0.084 nan 8.250 nan 0.000 0.484 168 T N 1.433 116.113 114.554 0.210 0.000 2.918 168 T HA 0.280 4.630 4.350 -0.000 0.000 0.302 168 T C 0.115 174.890 174.700 0.125 0.000 1.045 168 T CA -0.250 61.956 62.100 0.176 0.000 1.114 168 T CB 0.754 69.712 68.868 0.149 0.000 0.965 168 T HN 0.587 nan 8.240 nan 0.000 0.540 169 A N 3.330 126.217 122.820 0.110 0.000 2.330 169 A HA 0.699 5.019 4.320 -0.000 0.000 0.327 169 A C -0.497 177.120 177.584 0.054 0.000 1.155 169 A CA -0.754 51.340 52.037 0.094 0.000 0.803 169 A CB 0.652 19.720 19.000 0.112 0.000 1.208 169 A HN 0.711 nan 8.150 nan 0.000 0.477 170 I N 2.582 123.194 120.570 0.070 0.000 2.330 170 I HA 0.263 4.433 4.170 -0.000 0.000 0.286 170 I C -0.274 175.930 176.117 0.144 0.000 1.025 170 I CA -0.142 61.200 61.300 0.069 0.000 1.197 170 I CB 0.885 38.919 38.000 0.056 0.000 1.358 170 I HN 0.633 nan 8.210 nan 0.000 0.467 171 K N 5.543 126.028 120.400 0.142 0.000 2.265 171 K HA 0.584 4.904 4.320 -0.000 0.000 0.267 171 K C -0.740 175.981 176.600 0.202 0.000 0.994 171 K CA -0.653 55.739 56.287 0.175 0.000 0.860 171 K CB 2.632 35.211 32.500 0.132 0.000 1.099 171 K HN 0.243 nan 8.250 nan 0.000 0.448 172 V N 2.871 122.942 119.914 0.261 0.000 2.370 172 V HA 0.344 4.464 4.120 -0.000 0.000 0.283 172 V C -0.108 176.128 176.094 0.236 0.000 1.023 172 V CA -0.351 62.089 62.300 0.233 0.000 0.857 172 V CB 0.834 32.803 31.823 0.243 0.000 0.985 172 V HN 1.016 nan 8.190 nan 0.000 0.443 173 S N 2.934 118.685 115.700 0.086 0.000 2.672 173 S HA 0.599 5.069 4.470 -0.000 0.000 0.271 173 S C -0.233 174.354 174.600 -0.021 0.000 1.171 173 S CA -0.581 57.687 58.200 0.113 0.000 0.817 173 S CB 1.296 64.567 63.200 0.118 0.000 1.150 173 S HN 1.054 nan 8.310 nan 0.000 0.478 174 N N -0.327 118.425 118.700 0.087 0.000 2.708 174 N HA -0.157 4.583 4.740 -0.000 0.000 0.255 174 N C -1.312 174.183 175.510 -0.024 0.000 1.046 174 N CA 0.317 53.394 53.050 0.046 0.000 0.715 174 N CB -1.946 36.543 38.487 0.002 0.000 0.895 174 N HN 0.560 nan 8.380 nan 0.000 0.545 175 F N 0.408 120.362 119.950 0.006 0.000 2.471 175 F HA 0.497 5.024 4.527 -0.000 0.000 0.353 175 F C 1.382 176.934 175.800 -0.413 0.000 1.113 175 F CA 0.677 58.591 58.000 -0.143 0.000 1.262 175 F CB 0.917 39.841 39.000 -0.128 0.000 1.146 175 F HN 0.322 nan 8.300 nan 0.000 0.578 176 A N 3.226 125.805 122.820 -0.402 0.000 2.454 176 A HA 0.831 5.151 4.320 -0.000 0.000 0.302 176 A C -2.049 175.181 177.584 -0.590 0.000 1.079 176 A CA -0.616 51.168 52.037 -0.422 0.000 0.731 176 A CB 1.000 19.913 19.000 -0.145 0.000 1.299 176 A HN 0.633 nan 8.150 nan 0.000 0.413 177 Y N 0.374 120.753 120.300 0.132 0.000 2.333 177 Y HA 0.379 4.929 4.550 -0.000 0.000 0.324 177 Y C -0.253 175.685 175.900 0.063 0.000 1.033 177 Y CA -0.731 57.431 58.100 0.103 0.000 1.224 177 Y CB 1.604 40.124 38.460 0.100 0.000 1.120 177 Y HN 0.712 nan 8.280 nan 0.000 0.457 178 N N 3.663 122.453 118.700 0.150 0.000 2.469 178 N HA 0.387 5.127 4.740 -0.000 0.000 0.253 178 N C -1.032 174.503 175.510 0.042 0.000 0.970 178 N CA -0.695 52.407 53.050 0.087 0.000 0.940 178 N CB 1.484 40.003 38.487 0.052 0.000 1.128 178 N HN 0.572 nan 8.380 nan 0.000 0.503 179 L N 2.007 123.229 121.223 -0.002 0.000 2.499 179 L HA 0.092 4.431 4.340 -0.000 0.000 0.273 179 L C -0.159 176.651 176.870 -0.100 0.000 1.195 179 L CA 0.109 54.889 54.840 -0.100 0.000 0.882 179 L CB 0.440 42.331 42.059 -0.280 0.000 1.133 179 L HN 0.490 nan 8.230 nan 0.000 0.483 180 D N 7.037 127.399 120.400 -0.063 0.000 2.428 180 D HA 0.240 4.879 4.640 -0.000 0.000 0.221 180 D C -1.541 174.716 176.300 -0.071 0.000 1.123 180 D CA -2.316 51.642 54.000 -0.071 0.000 0.869 180 D CB 1.258 42.040 40.800 -0.030 0.000 1.032 180 D HN 0.332 nan 8.370 nan 0.000 0.506 181 P HA -0.141 nan 4.420 nan 0.000 0.221 181 P C 0.306 177.512 177.300 -0.156 0.000 1.145 181 P CA 0.867 63.694 63.100 -0.456 0.000 0.795 181 P CB 0.581 31.604 31.700 -1.129 0.000 0.775 182 D N -0.034 120.296 120.400 -0.117 0.000 2.194 182 D HA -0.092 4.548 4.640 -0.000 0.000 0.204 182 D C 2.122 178.393 176.300 -0.049 0.000 0.964 182 D CA 1.289 55.245 54.000 -0.074 0.000 0.846 182 D CB -0.462 40.296 40.800 -0.070 0.000 0.962 182 D HN 0.216 nan 8.370 nan 0.000 0.490 183 S N -0.011 115.669 115.700 -0.033 0.000 2.595 183 S HA -0.135 4.335 4.470 -0.000 0.000 0.235 183 S C 0.730 175.230 174.600 -0.166 0.000 0.974 183 S CA -0.399 57.765 58.200 -0.061 0.000 0.942 183 S CB -0.921 62.270 63.200 -0.014 0.000 0.766 183 S HN 0.199 nan 8.310 nan 0.000 0.536 184 F N 3.459 123.156 119.950 -0.422 0.000 2.623 184 F HA 0.186 4.713 4.527 -0.000 0.000 0.381 184 F C 0.469 176.004 175.800 -0.441 0.000 1.081 184 F CA 0.461 58.010 58.000 -0.752 0.000 1.293 184 F CB 0.328 38.871 39.000 -0.762 0.000 1.006 184 F HN 0.051 nan 8.300 nan 0.000 0.578 185 K N 4.191 123.696 120.400 -1.491 0.000 2.536 185 K HA 0.341 4.661 4.320 -0.000 0.000 0.269 185 K C -1.695 174.227 176.600 -1.130 0.000 0.965 185 K CA -0.964 54.676 56.287 -1.077 0.000 0.860 185 K CB 2.273 34.446 32.500 -0.544 0.000 1.423 185 K HN 0.844 nan 8.250 nan 0.000 0.438 186 H N -2.529 116.133 119.070 -0.680 0.000 2.974 186 H HA 0.573 5.129 4.556 -0.000 0.000 0.366 186 H C -0.089 175.139 175.328 -0.167 0.000 1.155 186 H CA -0.835 54.990 56.048 -0.371 0.000 1.186 186 H CB 1.224 30.653 29.762 -0.555 0.000 1.799 186 H HN 0.667 nan 8.280 nan 0.000 0.541 187 G N 0.429 109.311 108.800 0.137 0.000 2.504 187 G HA2 0.142 4.102 3.960 -0.000 0.000 0.257 187 G HA3 0.142 4.102 3.960 -0.000 0.000 0.257 187 G C -0.614 174.412 174.900 0.210 0.000 1.451 187 G CA -0.742 44.423 45.100 0.107 0.000 1.059 187 G HN 0.778 nan 8.290 nan 0.000 0.550 188 D N 0.242 120.733 120.400 0.152 0.000 2.434 188 D HA 0.086 4.726 4.640 -0.000 0.000 0.252 188 D C 0.382 176.810 176.300 0.212 0.000 1.185 188 D CA 0.153 54.245 54.000 0.153 0.000 0.886 188 D CB 1.400 42.262 40.800 0.104 0.000 1.148 188 D HN -0.070 nan 8.370 nan 0.000 0.483 189 V N 4.260 124.299 119.914 0.209 0.000 2.416 189 V HA -0.089 4.030 4.120 -0.000 0.000 0.267 189 V C 1.655 177.863 176.094 0.191 0.000 1.007 189 V CA 0.486 62.928 62.300 0.237 0.000 1.102 189 V CB -0.025 31.901 31.823 0.172 0.000 1.035 189 V HN 0.620 nan 8.190 nan 0.000 0.473 190 T N 3.257 117.932 114.554 0.202 0.000 2.523 190 T HA -0.171 4.179 4.350 -0.000 0.000 0.253 190 T C 0.865 175.630 174.700 0.108 0.000 1.139 190 T CA 1.079 63.259 62.100 0.134 0.000 1.230 190 T CB -0.016 68.923 68.868 0.118 0.000 0.871 190 T HN 0.682 nan 8.240 nan 0.000 0.396 191 Q N 0.903 120.761 119.800 0.098 0.000 2.259 191 Q HA 0.455 4.795 4.340 -0.000 0.000 0.246 191 Q C -0.992 175.066 176.000 0.096 0.000 0.920 191 Q CA -0.315 55.532 55.803 0.073 0.000 0.895 191 Q CB 0.962 29.723 28.738 0.039 0.000 1.220 191 Q HN 0.424 nan 8.270 nan 0.000 0.439 192 S N 2.612 118.361 115.700 0.082 0.000 2.602 192 S HA 0.410 4.880 4.470 -0.000 0.000 0.301 192 S C -2.494 172.150 174.600 0.073 0.000 1.091 192 S CA -0.410 57.846 58.200 0.092 0.000 0.895 192 S CB 0.826 64.092 63.200 0.110 0.000 1.090 192 S HN 0.874 nan 8.310 nan 0.000 0.449 193 D N 0.862 121.307 120.400 0.074 0.000 2.855 193 D HA 0.343 4.983 4.640 -0.000 0.000 0.247 193 D C -0.972 175.370 176.300 0.070 0.000 1.066 193 D CA -0.790 53.247 54.000 0.063 0.000 0.758 193 D CB 0.099 40.930 40.800 0.052 0.000 2.338 193 D HN 0.681 nan 8.370 nan 0.000 0.460 194 R N 0.578 121.116 120.500 0.064 0.000 2.473 194 R HA 0.626 4.966 4.340 -0.000 0.000 0.303 194 R C -1.120 175.233 176.300 0.088 0.000 1.002 194 R CA -0.952 55.191 56.100 0.072 0.000 0.884 194 R CB 1.684 32.016 30.300 0.053 0.000 1.173 194 R HN 0.417 nan 8.270 nan 0.000 0.464 195 Q N 2.628 122.487 119.800 0.098 0.000 2.261 195 Q HA 0.247 4.586 4.340 -0.000 0.000 0.252 195 Q C -0.952 175.146 176.000 0.163 0.000 0.915 195 Q CA -0.749 55.115 55.803 0.102 0.000 0.915 195 Q CB 1.324 30.098 28.738 0.060 0.000 1.204 195 Q HN 0.697 nan 8.270 nan 0.000 0.421 196 L N 6.415 127.729 121.223 0.151 0.000 2.356 196 L HA 0.183 4.523 4.340 -0.000 0.000 0.282 196 L C 0.385 177.227 176.870 -0.048 0.000 1.132 196 L CA 0.257 55.143 54.840 0.077 0.000 0.923 196 L CB 0.413 42.513 42.059 0.068 0.000 1.278 196 L HN 0.760 nan 8.230 nan 0.000 0.436 197 V N 1.974 121.840 119.914 -0.079 0.000 2.626 197 V HA 0.081 4.201 4.120 -0.000 0.000 0.252 197 V C 0.857 176.868 176.094 -0.139 0.000 1.067 197 V CA 1.226 63.481 62.300 -0.074 0.000 1.081 197 V CB -0.791 31.024 31.823 -0.014 0.000 0.686 197 V HN 0.851 nan 8.190 nan 0.000 0.468 198 K N -0.855 119.402 120.400 -0.238 0.000 2.610 198 K HA 0.409 4.729 4.320 -0.000 0.000 0.278 198 K C -1.373 175.046 176.600 -0.300 0.000 0.964 198 K CA 0.181 56.318 56.287 -0.250 0.000 0.859 198 K CB 2.050 34.378 32.500 -0.287 0.000 1.434 198 K HN 0.172 nan 8.250 nan 0.000 0.410 199 T N 1.717 116.133 114.554 -0.229 0.000 3.038 199 T HA 0.310 4.660 4.350 -0.000 0.000 0.344 199 T C -0.886 173.706 174.700 -0.180 0.000 1.054 199 T CA -0.496 61.471 62.100 -0.221 0.000 1.092 199 T CB 0.567 69.328 68.868 -0.178 0.000 1.031 199 T HN 0.249 nan 8.240 nan 0.000 0.482 200 V N 5.908 125.709 119.914 -0.189 0.000 2.540 200 V HA 0.381 4.501 4.120 -0.000 0.000 0.297 200 V C 0.753 176.764 176.094 -0.139 0.000 1.024 200 V CA 0.065 62.275 62.300 -0.150 0.000 1.105 200 V CB 0.400 32.137 31.823 -0.143 0.000 0.938 200 V HN 0.824 nan 8.190 nan 0.000 0.482 201 V N 2.731 122.565 119.914 -0.133 0.000 2.789 201 V HA 1.138 5.258 4.120 -0.000 0.000 0.311 201 V C 0.023 176.010 176.094 -0.178 0.000 1.073 201 V CA 0.289 62.484 62.300 -0.175 0.000 0.921 201 V CB 1.580 33.287 31.823 -0.194 0.000 1.009 201 V HN 1.061 nan 8.190 nan 0.000 0.426 202 G N 2.131 110.766 108.800 -0.275 0.000 2.578 202 G HA2 0.645 4.605 3.960 -0.000 0.000 0.302 202 G HA3 0.645 4.605 3.960 -0.000 0.000 0.302 202 G C -2.456 172.177 174.900 -0.446 0.000 1.243 202 G CA -0.569 44.395 45.100 -0.228 0.000 0.843 202 G HN 0.876 nan 8.290 nan 0.000 0.486 203 W N -0.663 120.629 121.300 -0.012 0.000 3.031 203 W HA 0.756 5.415 4.660 -0.000 0.000 0.337 203 W C -0.121 176.392 176.519 -0.009 0.000 1.187 203 W CA -0.660 56.680 57.345 -0.009 0.000 1.166 203 W CB 2.312 31.766 29.460 -0.009 0.000 1.437 203 W HN 0.824 nan 8.180 nan 0.000 0.551 204 A N 1.632 124.599 122.820 0.245 0.000 2.304 204 A HA 0.785 5.105 4.320 -0.000 0.000 0.314 204 A C -1.376 176.286 177.584 0.130 0.000 1.187 204 A CA -0.668 51.451 52.037 0.137 0.000 0.810 204 A CB 0.705 19.757 19.000 0.086 0.000 1.183 204 A HN 0.453 nan 8.150 nan 0.000 0.487 205 V N 2.803 122.764 119.914 0.079 0.000 2.483 205 V HA 0.329 4.449 4.120 -0.000 0.000 0.295 205 V C -0.061 176.037 176.094 0.008 0.000 1.035 205 V CA -0.763 61.559 62.300 0.038 0.000 0.896 205 V CB 1.760 33.587 31.823 0.006 0.000 0.986 205 V HN 0.883 nan 8.190 nan 0.000 0.447 206 N N 2.960 121.662 118.700 0.004 0.000 2.699 206 N HA 0.191 4.931 4.740 -0.000 0.000 0.232 206 N C 0.511 176.010 175.510 -0.018 0.000 1.027 206 N CA -0.319 52.726 53.050 -0.009 0.000 0.920 206 N CB 0.788 39.278 38.487 0.004 0.000 1.148 206 N HN 0.542 nan 8.380 nan 0.000 0.509 207 D N -0.002 120.381 120.400 -0.028 0.000 2.403 207 D HA -0.091 4.548 4.640 -0.000 0.000 0.227 207 D C 0.392 176.678 176.300 -0.024 0.000 0.995 207 D CA 0.643 54.626 54.000 -0.029 0.000 0.928 207 D CB 0.238 41.018 40.800 -0.033 0.000 0.887 207 D HN 0.612 nan 8.370 nan 0.000 0.529 208 S N -0.494 115.194 115.700 -0.020 0.000 2.747 208 S HA 0.282 4.752 4.470 -0.000 0.000 0.300 208 S C 0.420 175.016 174.600 -0.007 0.000 1.121 208 S CA -0.781 57.411 58.200 -0.014 0.000 0.995 208 S CB 1.885 65.078 63.200 -0.012 0.000 1.113 208 S HN -0.246 nan 8.310 nan 0.000 0.547 209 D N -0.053 120.345 120.400 -0.004 0.000 2.346 209 D HA 0.140 4.780 4.640 -0.000 0.000 0.206 209 D C 0.250 176.553 176.300 0.004 0.000 1.001 209 D CA 0.453 54.453 54.000 -0.001 0.000 0.871 209 D CB -0.023 40.776 40.800 -0.001 0.000 0.943 209 D HN 0.506 nan 8.370 nan 0.000 0.518 210 T N 2.947 117.505 114.554 0.007 0.000 2.727 210 T HA 0.167 4.516 4.350 -0.000 0.000 0.295 210 T C -2.553 172.157 174.700 0.018 0.000 0.915 210 T CA -2.153 59.955 62.100 0.013 0.000 1.066 210 T CB 0.680 69.558 68.868 0.017 0.000 0.891 210 T HN -0.083 nan 8.240 nan 0.000 0.516 211 P HA 0.002 nan 4.420 nan 0.000 0.254 211 P C -0.267 177.055 177.300 0.038 0.000 1.186 211 P CA 0.008 63.123 63.100 0.026 0.000 0.868 211 P CB 0.177 31.892 31.700 0.025 0.000 0.856 212 Q N 2.171 121.994 119.800 0.039 0.000 2.352 212 Q HA 0.399 4.739 4.340 -0.000 0.000 0.260 212 Q C 0.183 176.234 176.000 0.085 0.000 0.976 212 Q CA 0.651 56.490 55.803 0.061 0.000 0.881 212 Q CB 0.586 29.343 28.738 0.031 0.000 1.235 212 Q HN 0.502 nan 8.270 nan 0.000 0.419 213 S N 0.941 116.720 115.700 0.131 0.000 2.636 213 S HA 0.620 5.090 4.470 -0.000 0.000 0.266 213 S C -0.412 174.287 174.600 0.166 0.000 1.147 213 S CA 0.148 58.424 58.200 0.128 0.000 0.815 213 S CB 1.057 64.301 63.200 0.074 0.000 1.119 213 S HN 1.156 nan 8.310 nan 0.000 0.470 214 G N 0.315 109.170 108.800 0.091 0.000 2.132 214 G HA2 -0.165 3.795 3.960 -0.000 0.000 0.234 214 G HA3 -0.165 3.795 3.960 -0.000 0.000 0.234 214 G C -0.620 174.179 174.900 -0.169 0.000 0.989 214 G CA 0.565 45.649 45.100 -0.027 0.000 0.676 214 G HN 0.838 nan 8.290 nan 0.000 0.522 215 Y N 0.680 120.989 120.300 0.015 0.000 2.492 215 Y HA 0.541 5.091 4.550 -0.000 0.000 0.346 215 Y C -0.555 175.355 175.900 0.017 0.000 0.997 215 Y CA -0.806 57.303 58.100 0.015 0.000 1.025 215 Y CB 2.066 40.536 38.460 0.016 0.000 1.263 215 Y HN 0.247 nan 8.280 nan 0.000 0.454 216 D N 0.978 121.465 120.400 0.145 0.000 2.505 216 D HA 0.459 5.099 4.640 -0.000 0.000 0.249 216 D C -0.950 175.407 176.300 0.094 0.000 1.082 216 D CA -0.630 53.427 54.000 0.095 0.000 0.839 216 D CB 1.685 42.516 40.800 0.051 0.000 1.317 216 D HN 0.165 nan 8.370 nan 0.000 0.497 217 V N 1.615 121.574 119.914 0.075 0.000 2.649 217 V HA 0.477 4.597 4.120 -0.000 0.000 0.292 217 V C 0.448 176.570 176.094 0.048 0.000 1.055 217 V CA 0.102 62.437 62.300 0.059 0.000 1.023 217 V CB 1.304 33.154 31.823 0.046 0.000 0.992 217 V HN 0.732 nan 8.190 nan 0.000 0.480 218 T N 5.105 119.685 114.554 0.044 0.000 2.991 218 T HA 0.480 4.830 4.350 -0.000 0.000 0.303 218 T C -0.950 173.772 174.700 0.036 0.000 1.015 218 T CA -0.348 61.776 62.100 0.040 0.000 1.007 218 T CB 1.376 70.268 68.868 0.041 0.000 1.034 218 T HN 0.523 nan 8.240 nan 0.000 0.446 219 L N 4.959 126.203 121.223 0.036 0.000 2.325 219 L HA 0.876 5.216 4.340 -0.000 0.000 0.279 219 L C -0.205 176.693 176.870 0.046 0.000 1.054 219 L CA -0.126 54.735 54.840 0.035 0.000 0.804 219 L CB 0.636 42.714 42.059 0.031 0.000 1.200 219 L HN 0.761 nan 8.230 nan 0.000 0.436 220 R N 3.280 123.809 120.500 0.048 0.000 2.594 220 R HA 0.859 5.199 4.340 -0.000 0.000 0.265 220 R C -1.109 175.228 176.300 0.061 0.000 1.070 220 R CA -0.367 55.766 56.100 0.055 0.000 0.909 220 R CB 1.331 31.658 30.300 0.045 0.000 1.243 220 R HN 0.947 nan 8.270 nan 0.000 0.455 221 G N 1.243 110.086 108.800 0.071 0.000 2.430 221 G HA2 0.344 4.304 3.960 -0.000 0.000 0.300 221 G HA3 0.344 4.304 3.960 -0.000 0.000 0.300 221 G C -2.025 172.917 174.900 0.070 0.000 1.330 221 G CA -0.662 44.483 45.100 0.076 0.000 0.813 221 G HN 0.553 nan 8.290 nan 0.000 0.487 222 D N -0.477 119.956 120.400 0.055 0.000 2.340 222 D HA 0.763 5.403 4.640 -0.000 0.000 0.240 222 D C -0.606 175.676 176.300 -0.031 0.000 1.001 222 D CA -0.217 53.795 54.000 0.020 0.000 0.888 222 D CB 2.209 43.014 40.800 0.008 0.000 1.310 222 D HN 0.487 nan 8.370 nan 0.000 0.474 223 T N -0.909 113.603 114.554 -0.070 0.000 2.886 223 T HA 0.596 4.946 4.350 -0.000 0.000 0.330 223 T C -1.695 172.936 174.700 -0.115 0.000 1.488 223 T CA -0.494 61.495 62.100 -0.186 0.000 1.054 223 T CB 1.380 70.044 68.868 -0.340 0.000 1.348 223 T HN 0.436 nan 8.240 nan 0.000 0.489 224 A N 1.806 124.546 122.820 -0.134 0.000 2.281 224 A HA 0.832 5.152 4.320 -0.000 0.000 0.329 224 A C -0.178 177.383 177.584 -0.038 0.000 1.122 224 A CA -0.490 51.507 52.037 -0.067 0.000 0.850 224 A CB 1.092 20.053 19.000 -0.064 0.000 1.207 224 A HN 0.757 nan 8.150 nan 0.000 0.495 225 T N 2.449 117.009 114.554 0.009 0.000 2.840 225 T HA 0.406 4.756 4.350 -0.000 0.000 0.287 225 T C -0.850 173.894 174.700 0.073 0.000 0.991 225 T CA -0.610 61.517 62.100 0.045 0.000 0.964 225 T CB 0.581 69.489 68.868 0.066 0.000 0.954 225 T HN 0.591 nan 8.240 nan 0.000 0.438 226 N N 4.019 122.742 118.700 0.038 0.000 2.446 226 N HA 0.374 5.114 4.740 -0.000 0.000 0.265 226 N C -0.833 174.687 175.510 0.016 0.000 0.975 226 N CA -0.619 52.430 53.050 -0.001 0.000 0.928 226 N CB 1.679 40.127 38.487 -0.066 0.000 1.160 226 N HN 0.699 nan 8.380 nan 0.000 0.495 227 W N 1.044 122.213 121.300 -0.219 0.000 2.950 227 W HA 0.699 5.359 4.660 -0.000 0.000 0.340 227 W C -1.136 175.194 176.519 -0.316 0.000 1.139 227 W CA -0.999 56.141 57.345 -0.341 0.000 1.188 227 W CB 0.998 30.249 29.460 -0.350 0.000 1.426 227 W HN 0.313 nan 8.180 nan 0.000 0.531 228 S N 1.615 117.078 115.700 -0.395 0.000 2.556 228 S HA 0.709 5.179 4.470 -0.000 0.000 0.271 228 S C -1.400 173.061 174.600 -0.232 0.000 1.135 228 S CA -0.765 57.149 58.200 -0.477 0.000 0.858 228 S CB 1.730 64.722 63.200 -0.347 0.000 1.114 228 S HN 0.663 nan 8.310 nan 0.000 0.468 229 K N 0.474 120.783 120.400 -0.152 0.000 2.532 229 K HA 0.699 5.019 4.320 -0.000 0.000 0.265 229 K C -1.143 175.521 176.600 0.107 0.000 0.948 229 K CA -0.795 55.558 56.287 0.111 0.000 0.842 229 K CB 1.483 34.157 32.500 0.289 0.000 1.392 229 K HN 0.609 nan 8.250 nan 0.000 0.436 230 T N -0.783 113.908 114.554 0.229 0.000 2.918 230 T HA 0.424 4.774 4.350 -0.000 0.000 0.286 230 T C -0.529 174.340 174.700 0.282 0.000 1.026 230 T CA -0.985 61.214 62.100 0.166 0.000 1.031 230 T CB 0.797 69.719 68.868 0.090 0.000 1.046 230 T HN 0.663 nan 8.240 nan 0.000 0.479 231 N N 1.034 119.859 118.700 0.210 0.000 2.564 231 N HA 0.268 5.008 4.740 -0.000 0.000 0.248 231 N C 0.780 176.348 175.510 0.097 0.000 0.986 231 N CA -0.566 52.645 53.050 0.269 0.000 0.921 231 N CB 1.211 39.893 38.487 0.324 0.000 1.136 231 N HN 0.606 nan 8.380 nan 0.000 0.509 232 T N 0.891 115.439 114.554 -0.010 0.000 2.680 232 T HA -0.204 4.146 4.350 -0.000 0.000 0.268 232 T C 0.098 174.528 174.700 -0.450 0.000 1.033 232 T CA 1.820 63.747 62.100 -0.287 0.000 1.152 232 T CB -0.173 68.426 68.868 -0.449 0.000 0.859 232 T HN 0.403 nan 8.240 nan 0.000 0.452 233 Y N -1.586 118.755 120.300 0.069 0.000 2.686 233 Y HA 0.617 5.167 4.550 -0.000 0.000 0.330 233 Y C 1.436 177.369 175.900 0.054 0.000 1.082 233 Y CA -1.143 56.984 58.100 0.045 0.000 1.158 233 Y CB 0.778 39.250 38.460 0.020 0.000 1.333 233 Y HN -0.095 nan 8.280 nan 0.000 0.519 234 G N -0.238 108.698 108.800 0.227 0.000 2.777 234 G HA2 -0.075 3.885 3.960 -0.000 0.000 0.211 234 G HA3 -0.075 3.885 3.960 -0.000 0.000 0.211 234 G C 1.322 176.264 174.900 0.070 0.000 1.149 234 G CA 0.185 45.361 45.100 0.127 0.000 0.785 234 G HN 0.515 nan 8.290 nan 0.000 0.536 235 L N 1.825 123.062 121.223 0.024 0.000 2.137 235 L HA -0.147 4.193 4.340 -0.000 0.000 0.213 235 L C 2.747 179.570 176.870 -0.078 0.000 1.085 235 L CA 2.196 56.959 54.840 -0.130 0.000 0.760 235 L CB -0.680 41.254 42.059 -0.208 0.000 0.893 235 L HN 0.198 nan 8.230 nan 0.000 0.434 236 S N -0.196 115.543 115.700 0.065 0.000 2.380 236 S HA -0.271 4.198 4.470 -0.000 0.000 0.229 236 S C 1.645 176.367 174.600 0.203 0.000 1.043 236 S CA 1.729 60.038 58.200 0.181 0.000 1.038 236 S CB -0.596 62.806 63.200 0.337 0.000 0.872 236 S HN 0.661 nan 8.310 nan 0.000 0.456 237 E N 1.176 121.466 120.200 0.151 0.000 2.209 237 E HA -0.145 4.205 4.350 -0.000 0.000 0.196 237 E C 1.413 178.105 176.600 0.154 0.000 0.993 237 E CA 0.897 57.384 56.400 0.144 0.000 0.819 237 E CB -0.181 29.583 29.700 0.107 0.000 0.745 237 E HN 0.533 nan 8.360 nan 0.000 0.477 238 K N 0.929 121.418 120.400 0.148 0.000 2.358 238 K HA 0.120 4.440 4.320 -0.000 0.000 0.200 238 K C 0.369 177.158 176.600 0.315 0.000 1.030 238 K CA -0.143 56.283 56.287 0.232 0.000 1.097 238 K CB 1.282 33.967 32.500 0.308 0.000 0.862 238 K HN -0.043 nan 8.250 nan 0.000 0.534 239 V N 0.450 120.507 119.914 0.238 0.000 2.617 239 V HA 0.507 4.627 4.120 -0.000 0.000 0.298 239 V C -0.175 176.063 176.094 0.240 0.000 1.048 239 V CA -0.104 62.345 62.300 0.249 0.000 0.964 239 V CB 1.518 33.408 31.823 0.111 0.000 1.004 239 V HN 0.295 nan 8.190 nan 0.000 0.466 240 T N 1.997 116.676 114.554 0.208 0.000 2.716 240 T HA 0.714 5.064 4.350 -0.000 0.000 0.286 240 T C -0.337 174.463 174.700 0.167 0.000 1.052 240 T CA -0.428 61.796 62.100 0.207 0.000 1.024 240 T CB 1.734 70.706 68.868 0.172 0.000 1.349 240 T HN 0.891 nan 8.240 nan 0.000 0.525 241 T N 0.612 115.277 114.554 0.184 0.000 2.887 241 T HA 0.470 4.820 4.350 -0.000 0.000 0.288 241 T C 0.851 175.624 174.700 0.121 0.000 1.021 241 T CA -1.060 61.128 62.100 0.146 0.000 1.000 241 T CB 2.231 71.242 68.868 0.239 0.000 1.034 241 T HN 0.675 nan 8.240 nan 0.000 0.467 242 K N 1.296 121.744 120.400 0.079 0.000 2.062 242 K HA 0.026 4.346 4.320 -0.000 0.000 0.205 242 K C 0.626 177.276 176.600 0.082 0.000 1.051 242 K CA 0.890 57.219 56.287 0.070 0.000 0.941 242 K CB 0.060 32.587 32.500 0.045 0.000 0.719 242 K HN 0.590 nan 8.250 nan 0.000 0.440 243 N N 1.505 120.261 118.700 0.093 0.000 2.265 243 N HA 0.110 4.850 4.740 -0.000 0.000 0.300 243 N C -1.023 174.598 175.510 0.186 0.000 1.148 243 N CA -0.749 52.367 53.050 0.109 0.000 0.772 243 N CB 1.541 40.075 38.487 0.078 0.000 1.434 243 N HN -0.005 nan 8.380 nan 0.000 0.481 244 K N -0.347 120.160 120.400 0.178 0.000 2.187 244 K HA 0.393 4.713 4.320 -0.000 0.000 0.247 244 K C -0.753 176.054 176.600 0.344 0.000 1.019 244 K CA -0.110 56.312 56.287 0.224 0.000 0.893 244 K CB 0.234 32.796 32.500 0.102 0.000 1.025 244 K HN 0.587 nan 8.250 nan 0.000 0.500 245 F N -2.984 116.978 119.950 0.021 0.000 2.703 245 F HA 0.444 4.971 4.527 -0.000 0.000 0.308 245 F C -1.550 174.242 175.800 -0.014 0.000 1.126 245 F CA -1.486 56.513 58.000 -0.001 0.000 0.959 245 F CB 1.015 40.011 39.000 -0.005 0.000 1.297 245 F HN 0.231 nan 8.300 nan 0.000 0.441 246 K N 1.923 122.352 120.400 0.047 0.000 2.218 246 K HA 0.079 4.399 4.320 -0.000 0.000 0.276 246 K C -0.572 175.988 176.600 -0.067 0.000 1.022 246 K CA -0.231 56.014 56.287 -0.070 0.000 0.946 246 K CB 1.183 33.674 32.500 -0.015 0.000 1.000 246 K HN 0.855 nan 8.250 nan 0.000 0.468 247 W N 5.997 127.092 121.300 -0.342 0.000 2.216 247 W HA 0.070 4.729 4.660 -0.000 0.000 0.326 247 W C -1.923 174.433 176.519 -0.272 0.000 1.319 247 W CA -1.384 55.752 57.345 -0.348 0.000 1.213 247 W CB 0.374 29.514 29.460 -0.534 0.000 1.171 247 W HN 0.377 nan 8.180 nan 0.000 0.557 248 P HA -0.044 nan 4.420 nan 0.000 0.266 248 P C -0.619 176.572 177.300 -0.182 0.000 1.195 248 P CA -0.174 62.641 63.100 -0.475 0.000 0.768 248 P CB 0.990 32.107 31.700 -0.973 0.000 0.838 249 L N 4.436 125.607 121.223 -0.087 0.000 2.360 249 L HA 0.274 4.614 4.340 -0.000 0.000 0.276 249 L C -0.752 176.122 176.870 0.007 0.000 1.121 249 L CA -0.041 54.798 54.840 -0.002 0.000 0.845 249 L CB 0.610 42.655 42.059 -0.023 0.000 1.143 249 L HN 0.110 nan 8.230 nan 0.000 0.452 250 V N 6.576 126.526 119.914 0.061 0.000 2.531 250 V HA 0.849 4.969 4.120 -0.000 0.000 0.301 250 V C 0.665 176.781 176.094 0.037 0.000 1.034 250 V CA 0.266 62.563 62.300 -0.005 0.000 0.865 250 V CB 0.536 32.267 31.823 -0.152 0.000 0.995 250 V HN 1.236 nan 8.190 nan 0.000 0.424 251 G N 4.832 113.641 108.800 0.015 0.000 2.498 251 G HA2 -0.206 3.754 3.960 -0.000 0.000 0.251 251 G HA3 -0.206 3.754 3.960 -0.000 0.000 0.251 251 G C 0.597 175.508 174.900 0.019 0.000 1.170 251 G CA 0.665 45.784 45.100 0.032 0.000 0.944 251 G HN 0.929 nan 8.290 nan 0.000 0.567 252 E N -1.007 119.205 120.200 0.020 0.000 2.364 252 E HA 0.153 4.503 4.350 -0.000 0.000 0.203 252 E C 1.468 178.041 176.600 -0.044 0.000 0.888 252 E CA 0.907 57.295 56.400 -0.019 0.000 0.989 252 E CB -0.157 29.530 29.700 -0.022 0.000 0.985 252 E HN 1.144 nan 8.360 nan 0.000 0.499 253 T N 2.171 116.749 114.554 0.039 0.000 2.640 253 T HA -0.055 4.295 4.350 -0.000 0.000 0.252 253 T C -0.129 174.552 174.700 -0.031 0.000 1.038 253 T CA -0.002 62.154 62.100 0.094 0.000 1.307 253 T CB -0.540 68.441 68.868 0.187 0.000 1.014 253 T HN 0.126 nan 8.240 nan 0.000 0.523 254 E N 3.665 123.658 120.200 -0.344 0.000 2.392 254 E HA 0.405 4.755 4.350 -0.000 0.000 0.264 254 E C 0.010 176.541 176.600 -0.115 0.000 1.024 254 E CA -0.155 56.052 56.400 -0.322 0.000 0.903 254 E CB 0.687 30.030 29.700 -0.595 0.000 0.963 254 E HN 0.616 nan 8.360 nan 0.000 0.432 255 L N 0.894 122.094 121.223 -0.039 0.000 2.341 255 L HA 0.545 4.885 4.340 -0.000 0.000 0.254 255 L C -0.351 176.510 176.870 -0.015 0.000 1.040 255 L CA -0.949 53.900 54.840 0.015 0.000 0.837 255 L CB 2.235 44.328 42.059 0.057 0.000 1.425 255 L HN 0.362 nan 8.230 nan 0.000 0.414 256 S N 1.290 116.974 115.700 -0.026 0.000 2.673 256 S HA 0.739 5.209 4.470 -0.000 0.000 0.256 256 S C -1.187 173.349 174.600 -0.106 0.000 1.141 256 S CA -0.274 57.899 58.200 -0.046 0.000 1.109 256 S CB 0.245 63.434 63.200 -0.017 0.000 1.101 256 S HN 0.448 nan 8.310 nan 0.000 0.471 257 I N 3.737 124.204 120.570 -0.172 0.000 2.692 257 I HA 0.472 4.642 4.170 -0.000 0.000 0.293 257 I C -1.006 174.931 176.117 -0.300 0.000 1.200 257 I CA -0.672 60.424 61.300 -0.340 0.000 1.036 257 I CB 2.486 40.054 38.000 -0.720 0.000 1.258 257 I HN 0.623 nan 8.210 nan 0.000 0.421 258 E N 6.031 126.060 120.200 -0.285 0.000 2.308 258 E HA 0.547 4.897 4.350 -0.000 0.000 0.275 258 E C -1.569 174.862 176.600 -0.281 0.000 0.890 258 E CA -0.896 55.332 56.400 -0.287 0.000 0.754 258 E CB 2.539 32.142 29.700 -0.163 0.000 1.207 258 E HN 0.236 nan 8.360 nan 0.000 0.426 259 I N 2.116 122.421 120.570 -0.442 0.000 2.395 259 I HA 0.330 4.500 4.170 -0.000 0.000 0.289 259 I C 0.743 176.804 176.117 -0.094 0.000 1.023 259 I CA -0.348 60.777 61.300 -0.293 0.000 1.350 259 I CB 0.664 38.396 38.000 -0.445 0.000 1.409 259 I HN 0.788 nan 8.210 nan 0.000 0.507 260 A N 5.494 128.314 122.820 0.001 0.000 2.313 260 A HA 0.707 5.027 4.320 -0.000 0.000 0.261 260 A C 0.310 177.961 177.584 0.112 0.000 1.090 260 A CA -0.320 51.748 52.037 0.052 0.000 0.807 260 A CB 0.420 19.449 19.000 0.048 0.000 1.055 260 A HN 0.854 nan 8.150 nan 0.000 0.492 261 A N 0.747 123.635 122.820 0.113 0.000 2.279 261 A HA 0.562 4.882 4.320 -0.000 0.000 0.303 261 A C 0.531 178.183 177.584 0.114 0.000 1.108 261 A CA -0.330 51.787 52.037 0.134 0.000 0.830 261 A CB -0.032 19.038 19.000 0.117 0.000 1.106 261 A HN 1.221 nan 8.150 nan 0.000 0.493 262 N N -0.687 118.087 118.700 0.122 0.000 2.735 262 N HA -0.167 4.573 4.740 -0.000 0.000 0.248 262 N C -0.510 175.064 175.510 0.107 0.000 1.083 262 N CA 1.459 54.573 53.050 0.107 0.000 0.703 262 N CB -0.879 37.657 38.487 0.082 0.000 1.005 262 N HN 0.740 nan 8.380 nan 0.000 0.550 263 Q N 0.667 120.545 119.800 0.129 0.000 2.274 263 Q HA 0.380 4.720 4.340 -0.000 0.000 0.268 263 Q C -0.428 175.668 176.000 0.160 0.000 1.015 263 Q CA -0.569 55.305 55.803 0.118 0.000 0.775 263 Q CB 1.401 30.196 28.738 0.096 0.000 1.256 263 Q HN 0.278 nan 8.270 nan 0.000 0.442 264 S N 3.729 119.522 115.700 0.154 0.000 2.558 264 S HA -0.086 4.384 4.470 -0.000 0.000 0.291 264 S C 0.856 175.608 174.600 0.252 0.000 1.306 264 S CA -0.288 58.034 58.200 0.203 0.000 1.056 264 S CB 0.301 63.600 63.200 0.165 0.000 0.836 264 S HN 0.914 nan 8.310 nan 0.000 0.504 265 W N 3.021 124.385 121.300 0.107 0.000 2.342 265 W HA -0.172 4.488 4.660 -0.000 0.000 0.297 265 W C 1.941 178.534 176.519 0.123 0.000 1.213 265 W CA 1.313 58.729 57.345 0.118 0.000 1.251 265 W CB -0.639 28.895 29.460 0.124 0.000 1.136 265 W HN 0.936 nan 8.180 nan 0.000 0.526 266 A N 0.126 123.103 122.820 0.261 0.000 2.206 266 A HA -0.094 4.226 4.320 -0.000 0.000 0.211 266 A C 1.905 179.510 177.584 0.035 0.000 1.158 266 A CA 1.529 53.645 52.037 0.132 0.000 0.761 266 A CB -0.823 18.278 19.000 0.168 0.000 0.801 266 A HN 0.314 nan 8.150 nan 0.000 0.473 267 S N -1.091 114.628 115.700 0.032 0.000 2.524 267 S HA 0.059 4.529 4.470 -0.000 0.000 0.216 267 S C 0.729 175.299 174.600 -0.050 0.000 0.987 267 S CA -0.087 58.112 58.200 -0.001 0.000 0.909 267 S CB -0.129 63.087 63.200 0.028 0.000 0.781 267 S HN 0.591 nan 8.310 nan 0.000 0.521 268 Q N 1.785 121.534 119.800 -0.085 0.000 2.834 268 Q HA 0.388 4.728 4.340 -0.000 0.000 0.271 268 Q C -0.596 175.287 176.000 -0.195 0.000 1.196 268 Q CA -0.391 55.349 55.803 -0.103 0.000 1.063 268 Q CB 0.288 28.987 28.738 -0.065 0.000 1.265 268 Q HN 0.338 nan 8.270 nan 0.000 0.526 269 N N 0.886 119.423 118.700 -0.272 0.000 2.235 269 N HA 0.187 4.927 4.740 -0.000 0.000 0.209 269 N C 0.250 175.325 175.510 -0.726 0.000 1.122 269 N CA 0.352 53.183 53.050 -0.364 0.000 0.845 269 N CB 1.523 39.880 38.487 -0.217 0.000 1.004 269 N HN 0.576 nan 8.380 nan 0.000 0.499 270 G N -1.494 106.623 108.800 -1.138 0.000 2.352 270 G HA2 0.437 4.397 3.960 -0.000 0.000 0.283 270 G HA3 0.437 4.397 3.960 -0.000 0.000 0.283 270 G C -0.811 173.403 174.900 -1.143 0.000 1.308 270 G CA -0.097 43.981 45.100 -1.703 0.000 0.892 270 G HN 0.442 nan 8.290 nan 0.000 0.504 271 G N -1.862 106.375 108.800 -0.938 0.000 2.361 271 G HA2 0.537 4.497 3.960 -0.000 0.000 0.331 271 G HA3 0.537 4.497 3.960 -0.000 0.000 0.331 271 G C -0.748 173.978 174.900 -0.291 0.000 1.324 271 G CA 0.699 45.531 45.100 -0.446 0.000 0.984 271 G HN 2.026 nan 8.290 nan 0.000 0.586 272 S N -0.342 115.292 115.700 -0.111 0.000 2.596 272 S HA 0.758 5.228 4.470 -0.000 0.000 0.318 272 S C -0.020 174.594 174.600 0.024 0.000 1.097 272 S CA 0.542 58.724 58.200 -0.030 0.000 1.080 272 S CB 0.822 63.986 63.200 -0.060 0.000 0.991 272 S HN 1.851 nan 8.310 nan 0.000 0.471 273 T N 1.708 116.309 114.554 0.078 0.000 2.815 273 T HA 0.563 4.913 4.350 -0.000 0.000 0.289 273 T C 0.276 174.997 174.700 0.033 0.000 1.000 273 T CA -0.619 61.519 62.100 0.063 0.000 0.958 273 T CB 0.814 69.741 68.868 0.098 0.000 0.944 273 T HN 0.658 nan 8.240 nan 0.000 0.442 274 T N 1.225 115.787 114.554 0.013 0.000 2.926 274 T HA 0.465 4.815 4.350 -0.000 0.000 0.307 274 T C 0.385 175.090 174.700 0.010 0.000 1.059 274 T CA -0.279 61.821 62.100 0.000 0.000 1.122 274 T CB 0.796 69.661 68.868 -0.006 0.000 0.972 274 T HN 1.063 nan 8.240 nan 0.000 0.545 275 T N 0.277 114.836 114.554 0.009 0.000 2.900 275 T HA 0.563 4.913 4.350 -0.000 0.000 0.295 275 T C -0.060 174.657 174.700 0.030 0.000 1.044 275 T CA -0.741 61.373 62.100 0.023 0.000 0.995 275 T CB 1.935 70.825 68.868 0.036 0.000 1.072 275 T HN 0.811 nan 8.240 nan 0.000 0.473 276 S N 1.700 117.422 115.700 0.037 0.000 2.671 276 S HA 0.844 5.314 4.470 -0.000 0.000 0.272 276 S C -0.936 173.707 174.600 0.071 0.000 1.174 276 S CA -0.695 57.533 58.200 0.047 0.000 1.004 276 S CB -0.017 63.206 63.200 0.039 0.000 1.077 276 S HN 0.680 nan 8.310 nan 0.000 0.553 277 L N 1.680 122.950 121.223 0.078 0.000 2.562 277 L HA 0.429 4.769 4.340 -0.000 0.000 0.266 277 L C -1.114 175.803 176.870 0.079 0.000 0.949 277 L CA -0.389 54.511 54.840 0.101 0.000 0.879 277 L CB 2.248 44.390 42.059 0.138 0.000 1.278 277 L HN 0.644 nan 8.230 nan 0.000 0.404 278 S N 0.834 116.576 115.700 0.070 0.000 2.356 278 S HA 0.526 4.996 4.470 -0.000 0.000 0.171 278 S C -0.751 173.881 174.600 0.053 0.000 1.399 278 S CA -0.784 57.450 58.200 0.056 0.000 1.225 278 S CB 1.230 64.456 63.200 0.044 0.000 1.271 278 S HN 0.551 nan 8.310 nan 0.000 0.427 279 Q N 1.717 121.552 119.800 0.057 0.000 2.185 279 Q HA 0.828 5.168 4.340 -0.000 0.000 0.225 279 Q C -0.406 175.620 176.000 0.042 0.000 0.983 279 Q CA 0.204 56.038 55.803 0.052 0.000 0.950 279 Q CB 1.471 30.244 28.738 0.059 0.000 1.176 279 Q HN 1.028 nan 8.270 nan 0.000 0.510 280 S N -0.794 114.929 115.700 0.038 0.000 2.578 280 S HA 0.610 5.080 4.470 -0.000 0.000 0.285 280 S C -1.746 172.874 174.600 0.033 0.000 1.126 280 S CA -0.832 57.389 58.200 0.035 0.000 0.878 280 S CB 0.588 63.809 63.200 0.034 0.000 1.091 280 S HN 0.557 nan 8.310 nan 0.000 0.450 281 V N 1.428 121.362 119.914 0.034 0.000 3.141 281 V HA 0.867 4.987 4.120 -0.000 0.000 0.312 281 V C -1.095 175.022 176.094 0.038 0.000 1.157 281 V CA -1.111 61.208 62.300 0.032 0.000 1.041 281 V CB 2.451 34.291 31.823 0.028 0.000 1.071 281 V HN 1.116 nan 8.190 nan 0.000 0.441 282 R N 3.532 124.054 120.500 0.036 0.000 2.587 282 R HA 0.499 4.839 4.340 -0.000 0.000 0.283 282 R C -2.605 173.723 176.300 0.046 0.000 1.472 282 R CA -1.507 54.618 56.100 0.042 0.000 1.578 282 R CB 0.855 31.173 30.300 0.031 0.000 1.130 282 R HN 0.616 nan 8.270 nan 0.000 0.602 283 P HA 0.087 nan 4.420 nan 0.000 0.271 283 P C -0.932 176.404 177.300 0.060 0.000 1.233 283 P CA -0.085 63.047 63.100 0.053 0.000 0.764 283 P CB 1.497 33.230 31.700 0.054 0.000 0.825 284 T N 3.423 118.007 114.554 0.051 0.000 2.811 284 T HA 0.218 4.568 4.350 -0.000 0.000 0.309 284 T C -0.007 174.722 174.700 0.048 0.000 1.005 284 T CA -0.325 61.806 62.100 0.051 0.000 0.955 284 T CB 0.413 69.305 68.868 0.040 0.000 0.970 284 T HN 0.261 nan 8.240 nan 0.000 0.496 285 V N 7.825 127.770 119.914 0.052 0.000 2.394 285 V HA 0.499 4.619 4.120 -0.000 0.000 0.282 285 V C -2.040 174.077 176.094 0.039 0.000 1.031 285 V CA -2.466 59.862 62.300 0.048 0.000 0.881 285 V CB 1.447 33.300 31.823 0.050 0.000 0.982 285 V HN 0.559 nan 8.190 nan 0.000 0.451 286 P HA 0.153 nan 4.420 nan 0.000 0.291 286 P C -0.426 176.886 177.300 0.020 0.000 1.287 286 P CA -0.166 62.949 63.100 0.026 0.000 0.767 286 P CB 0.570 32.285 31.700 0.024 0.000 1.290 287 A N -0.252 122.576 122.820 0.014 0.000 2.388 287 A HA 0.180 4.499 4.320 -0.000 0.000 0.257 287 A C 0.445 178.029 177.584 0.001 0.000 1.095 287 A CA -0.438 51.604 52.037 0.007 0.000 0.791 287 A CB -0.514 18.489 19.000 0.005 0.000 1.029 287 A HN 0.546 nan 8.150 nan 0.000 0.489 288 R N 0.769 121.266 120.500 -0.005 0.000 2.884 288 R HA -0.138 4.201 4.340 -0.000 0.000 0.251 288 R C -0.562 175.728 176.300 -0.016 0.000 0.870 288 R CA 1.092 57.183 56.100 -0.015 0.000 0.647 288 R CB -2.415 27.874 30.300 -0.018 0.000 1.415 288 R HN 0.687 nan 8.270 nan 0.000 0.513 289 S N 0.012 115.706 115.700 -0.010 0.000 2.615 289 S HA 0.654 5.124 4.470 -0.000 0.000 0.269 289 S C -0.859 173.748 174.600 0.011 0.000 1.161 289 S CA -1.182 57.016 58.200 -0.003 0.000 0.817 289 S CB 2.701 65.912 63.200 0.018 0.000 1.131 289 S HN 0.483 nan 8.310 nan 0.000 0.467 290 K N 0.318 120.738 120.400 0.034 0.000 2.508 290 K HA 0.806 5.126 4.320 -0.000 0.000 0.260 290 K C -1.381 175.366 176.600 0.246 0.000 0.949 290 K CA -0.942 55.409 56.287 0.107 0.000 0.834 290 K CB 1.553 34.060 32.500 0.011 0.000 1.365 290 K HN 0.699 nan 8.250 nan 0.000 0.437 291 I N -1.982 118.780 120.570 0.320 0.000 2.689 291 I HA 0.536 4.706 4.170 -0.000 0.000 0.299 291 I C -2.777 173.489 176.117 0.248 0.000 1.059 291 I CA -2.846 58.627 61.300 0.288 0.000 1.055 291 I CB 2.414 40.493 38.000 0.132 0.000 1.243 291 I HN 0.440 nan 8.210 nan 0.000 0.425 292 P HA 0.187 nan 4.420 nan 0.000 0.281 292 P C -0.621 176.509 177.300 -0.282 0.000 1.252 292 P CA -0.147 62.622 63.100 -0.552 0.000 0.778 292 P CB 1.727 33.003 31.700 -0.707 0.000 0.895 293 V N 0.816 120.559 119.914 -0.285 0.000 2.628 293 V HA 0.705 4.825 4.120 -0.000 0.000 0.306 293 V C -0.560 175.426 176.094 -0.179 0.000 1.045 293 V CA -0.935 61.271 62.300 -0.157 0.000 0.905 293 V CB 2.179 33.953 31.823 -0.081 0.000 0.997 293 V HN 0.496 nan 8.190 nan 0.000 0.436 294 K N 3.810 124.135 120.400 -0.126 0.000 2.422 294 K HA 0.777 5.097 4.320 -0.000 0.000 0.251 294 K C -1.751 174.797 176.600 -0.086 0.000 0.933 294 K CA -0.895 55.319 56.287 -0.122 0.000 0.798 294 K CB 2.282 34.712 32.500 -0.116 0.000 1.238 294 K HN 0.889 nan 8.250 nan 0.000 0.428 295 I N 3.799 124.306 120.570 -0.105 0.000 2.531 295 I HA 0.168 4.338 4.170 -0.000 0.000 0.283 295 I C -0.620 175.394 176.117 -0.171 0.000 1.083 295 I CA -0.619 60.622 61.300 -0.099 0.000 1.071 295 I CB 1.918 39.864 38.000 -0.090 0.000 1.210 295 I HN 0.525 nan 8.210 nan 0.000 0.450 296 E N 6.651 126.732 120.200 -0.199 0.000 2.301 296 E HA 0.542 4.892 4.350 -0.000 0.000 0.275 296 E C -0.968 175.268 176.600 -0.608 0.000 1.030 296 E CA -0.646 55.505 56.400 -0.416 0.000 0.852 296 E CB 2.040 31.473 29.700 -0.445 0.000 1.060 296 E HN 0.431 nan 8.360 nan 0.000 0.401 297 L N 3.477 124.283 121.223 -0.695 0.000 2.313 297 L HA 0.414 4.754 4.340 -0.000 0.000 0.283 297 L C -0.811 175.658 176.870 -0.668 0.000 1.013 297 L CA -0.729 53.743 54.840 -0.612 0.000 0.816 297 L CB 0.361 41.965 42.059 -0.757 0.000 1.236 297 L HN 0.520 nan 8.230 nan 0.000 0.419 298 Y N 1.632 121.750 120.300 -0.302 0.000 2.618 298 Y HA 0.647 5.197 4.550 -0.000 0.000 0.326 298 Y C -0.005 175.672 175.900 -0.372 0.000 1.168 298 Y CA -1.013 56.842 58.100 -0.408 0.000 1.269 298 Y CB 1.393 39.460 38.460 -0.655 0.000 1.388 298 Y HN 0.379 nan 8.280 nan 0.000 0.528 299 K N 0.618 120.973 120.400 -0.075 0.000 2.588 299 K HA 0.820 5.140 4.320 -0.000 0.000 0.250 299 K C -2.142 174.469 176.600 0.019 0.000 0.972 299 K CA -0.470 55.793 56.287 -0.040 0.000 0.821 299 K CB 1.451 33.965 32.500 0.023 0.000 1.249 299 K HN 0.830 nan 8.250 nan 0.000 0.442 300 A N 2.925 125.784 122.820 0.065 0.000 2.556 300 A HA 0.747 5.067 4.320 -0.000 0.000 0.294 300 A C -1.980 175.665 177.584 0.102 0.000 1.091 300 A CA -0.717 51.390 52.037 0.117 0.000 0.704 300 A CB 1.577 20.703 19.000 0.210 0.000 1.300 300 A HN 0.871 nan 8.150 nan 0.000 0.406 301 D N -0.748 119.701 120.400 0.082 0.000 2.661 301 D HA 0.688 5.327 4.640 -0.000 0.000 0.228 301 D C -0.957 175.382 176.300 0.065 0.000 1.183 301 D CA -0.253 53.776 54.000 0.049 0.000 0.844 301 D CB 1.536 42.341 40.800 0.008 0.000 1.555 301 D HN 0.622 nan 8.370 nan 0.000 0.453 302 I N -0.383 120.214 120.570 0.046 0.000 2.894 302 I HA 0.712 4.882 4.170 -0.000 0.000 0.302 302 I C -1.580 174.537 176.117 -0.000 0.000 1.188 302 I CA -0.107 61.256 61.300 0.104 0.000 1.014 302 I CB 2.213 40.359 38.000 0.242 0.000 1.242 302 I HN 0.472 nan 8.210 nan 0.000 0.430 303 S N 4.775 120.521 115.700 0.076 0.000 2.543 303 S HA 0.785 5.255 4.470 -0.000 0.000 0.271 303 S C -1.918 172.798 174.600 0.193 0.000 1.148 303 S CA -0.461 57.734 58.200 -0.009 0.000 0.914 303 S CB 1.545 64.744 63.200 -0.002 0.000 1.096 303 S HN 0.610 nan 8.310 nan 0.000 0.471 304 Y N 0.005 120.479 120.300 0.290 0.000 2.583 304 Y HA 0.618 5.168 4.550 -0.000 0.000 0.330 304 Y C -3.480 172.652 175.900 0.388 0.000 1.185 304 Y CA -2.247 56.036 58.100 0.304 0.000 1.107 304 Y CB 0.256 38.898 38.460 0.302 0.000 1.344 304 Y HN 0.380 nan 8.280 nan 0.000 0.463 305 P HA 0.211 nan 4.420 nan 0.000 0.275 305 P C -1.283 176.371 177.300 0.590 0.000 1.227 305 P CA 0.326 63.670 63.100 0.407 0.000 0.781 305 P CB 1.182 33.008 31.700 0.211 0.000 0.906 306 Y N -0.421 120.199 120.300 0.533 0.000 2.650 306 Y HA 0.810 5.359 4.550 -0.000 0.000 0.331 306 Y C -0.622 175.454 175.900 0.292 0.000 1.082 306 Y CA -1.487 56.910 58.100 0.496 0.000 1.171 306 Y CB 1.684 40.698 38.460 0.923 0.000 1.326 306 Y HN 0.490 nan 8.280 nan 0.000 0.513 307 E N 1.259 121.645 120.200 0.309 0.000 2.451 307 E HA 0.407 4.757 4.350 -0.000 0.000 0.295 307 E C -2.321 174.307 176.600 0.046 0.000 0.966 307 E CA -0.448 56.066 56.400 0.192 0.000 0.808 307 E CB 1.376 31.065 29.700 -0.018 0.000 1.242 307 E HN 0.601 nan 8.360 nan 0.000 0.412 308 F N 1.638 121.663 119.950 0.124 0.000 2.846 308 F HA 0.664 5.191 4.527 -0.000 0.000 0.388 308 F C -0.083 175.688 175.800 -0.048 0.000 1.259 308 F CA -0.729 57.277 58.000 0.010 0.000 1.118 308 F CB 1.151 40.107 39.000 -0.072 0.000 1.512 308 F HN 0.166 nan 8.300 nan 0.000 0.502 309 K N 0.464 120.958 120.400 0.157 0.000 2.498 309 K HA 0.746 5.066 4.320 -0.000 0.000 0.254 309 K C -1.553 175.065 176.600 0.030 0.000 0.933 309 K CA -0.726 55.596 56.287 0.058 0.000 0.806 309 K CB 2.075 34.591 32.500 0.027 0.000 1.301 309 K HN 0.626 nan 8.250 nan 0.000 0.432 310 A N 2.223 125.063 122.820 0.033 0.000 2.342 310 A HA 0.496 4.816 4.320 -0.000 0.000 0.323 310 A C -0.853 176.792 177.584 0.102 0.000 1.125 310 A CA -0.701 51.371 52.037 0.057 0.000 0.785 310 A CB 0.570 19.616 19.000 0.076 0.000 1.221 310 A HN 0.567 nan 8.150 nan 0.000 0.463 311 D N 1.933 122.389 120.400 0.094 0.000 2.295 311 D HA 0.345 4.985 4.640 -0.000 0.000 0.248 311 D C -0.190 176.195 176.300 0.142 0.000 1.154 311 D CA 0.182 54.237 54.000 0.092 0.000 0.857 311 D CB 1.626 42.453 40.800 0.044 0.000 1.117 311 D HN 0.169 nan 8.370 nan 0.000 0.468 312 V N 2.547 122.571 119.914 0.184 0.000 2.461 312 V HA 0.318 4.438 4.120 -0.000 0.000 0.275 312 V C 0.556 176.740 176.094 0.150 0.000 1.047 312 V CA -0.290 62.165 62.300 0.258 0.000 0.955 312 V CB 1.033 33.094 31.823 0.396 0.000 0.988 312 V HN 0.641 nan 8.190 nan 0.000 0.471 313 S N 4.619 120.351 115.700 0.052 0.000 2.599 313 S HA 0.977 5.446 4.470 -0.000 0.000 0.287 313 S C -1.074 173.439 174.600 -0.145 0.000 1.105 313 S CA -0.793 57.322 58.200 -0.141 0.000 0.899 313 S CB 2.257 65.370 63.200 -0.146 0.000 1.100 313 S HN 0.893 nan 8.310 nan 0.000 0.482 314 Y N -2.121 118.024 120.300 -0.258 0.000 2.741 314 Y HA 0.642 5.192 4.550 -0.000 0.000 0.339 314 Y C -1.952 173.818 175.900 -0.217 0.000 1.226 314 Y CA -1.286 56.561 58.100 -0.423 0.000 1.072 314 Y CB 0.115 38.040 38.460 -0.892 0.000 1.331 314 Y HN 0.475 nan 8.280 nan 0.000 0.453 315 D N 1.748 122.151 120.400 0.005 0.000 2.177 315 D HA 0.448 5.088 4.640 -0.000 0.000 0.247 315 D C -1.322 175.087 176.300 0.181 0.000 1.063 315 D CA -0.186 53.842 54.000 0.046 0.000 0.867 315 D CB 2.484 43.291 40.800 0.011 0.000 1.168 315 D HN 0.572 nan 8.370 nan 0.000 0.445 316 L N 1.680 123.031 121.223 0.214 0.000 2.325 316 L HA 0.383 4.723 4.340 -0.000 0.000 0.281 316 L C -0.700 176.290 176.870 0.200 0.000 1.004 316 L CA -0.096 54.907 54.840 0.272 0.000 0.823 316 L CB 1.749 44.014 42.059 0.342 0.000 1.236 316 L HN 0.208 nan 8.230 nan 0.000 0.415 317 T N 6.149 120.789 114.554 0.142 0.000 2.792 317 T HA 0.607 4.957 4.350 -0.000 0.000 0.280 317 T C -0.471 174.263 174.700 0.057 0.000 0.990 317 T CA -0.356 61.795 62.100 0.084 0.000 0.960 317 T CB 1.000 69.902 68.868 0.058 0.000 0.939 317 T HN 0.387 nan 8.240 nan 0.000 0.439 318 L N 3.399 124.631 121.223 0.014 0.000 2.313 318 L HA 0.732 5.072 4.340 -0.000 0.000 0.283 318 L C 0.022 176.854 176.870 -0.064 0.000 1.013 318 L CA -0.755 53.950 54.840 -0.226 0.000 0.816 318 L CB 1.529 43.224 42.059 -0.606 0.000 1.236 318 L HN 0.741 nan 8.230 nan 0.000 0.419 319 S N 1.238 116.948 115.700 0.015 0.000 2.614 319 S HA 0.940 5.410 4.470 -0.000 0.000 0.275 319 S C -0.469 174.359 174.600 0.379 0.000 1.161 319 S CA -0.380 58.020 58.200 0.334 0.000 0.969 319 S CB 2.146 65.468 63.200 0.203 0.000 1.059 319 S HN 0.971 nan 8.310 nan 0.000 0.482 320 G N 1.545 110.677 108.800 0.553 0.000 2.428 320 G HA2 0.578 4.538 3.960 -0.000 0.000 0.305 320 G HA3 0.578 4.538 3.960 -0.000 0.000 0.305 320 G C -1.453 173.669 174.900 0.370 0.000 1.260 320 G CA -0.535 44.812 45.100 0.411 0.000 0.853 320 G HN 1.253 nan 8.290 nan 0.000 0.480 321 F N -0.254 119.830 119.950 0.223 0.000 2.470 321 F HA 0.858 5.385 4.527 -0.000 0.000 0.329 321 F C -0.285 175.493 175.800 -0.036 0.000 1.072 321 F CA -1.604 56.467 58.000 0.117 0.000 0.989 321 F CB 1.155 40.248 39.000 0.154 0.000 1.193 321 F HN 0.342 nan 8.300 nan 0.000 0.481 322 L N 4.154 125.415 121.223 0.063 0.000 2.305 322 L HA 0.400 4.740 4.340 -0.000 0.000 0.281 322 L C 0.635 177.502 176.870 -0.005 0.000 1.085 322 L CA -0.725 54.003 54.840 -0.187 0.000 0.813 322 L CB 0.671 42.521 42.059 -0.349 0.000 1.157 322 L HN 0.676 nan 8.230 nan 0.000 0.436 323 R N 1.690 122.111 120.500 -0.132 0.000 2.698 323 R HA -0.078 4.262 4.340 -0.000 0.000 0.266 323 R C -0.502 175.841 176.300 0.071 0.000 1.026 323 R CA -0.071 56.024 56.100 -0.008 0.000 1.102 323 R CB 0.484 30.731 30.300 -0.089 0.000 0.978 323 R HN 0.553 nan 8.270 nan 0.000 0.436 324 W N 1.620 122.900 121.300 -0.033 0.000 2.218 324 W HA 0.248 4.907 4.660 -0.000 0.000 0.326 324 W C 1.039 177.542 176.519 -0.026 0.000 1.276 324 W CA 0.941 58.254 57.345 -0.053 0.000 1.210 324 W CB 0.688 30.099 29.460 -0.082 0.000 1.143 324 W HN 0.889 nan 8.180 nan 0.000 0.563 325 G N 3.069 111.323 108.800 -0.910 0.000 2.200 325 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.268 325 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.268 325 G C 0.226 175.000 174.900 -0.210 0.000 0.986 325 G CA 0.464 45.075 45.100 -0.814 0.000 0.677 325 G HN 1.571 nan 8.290 nan 0.000 0.532 326 G N -0.514 108.242 108.800 -0.074 0.000 3.025 326 G HA2 0.532 4.492 3.960 -0.000 0.000 0.305 326 G HA3 0.532 4.492 3.960 -0.000 0.000 0.305 326 G C -1.086 173.812 174.900 -0.003 0.000 1.568 326 G CA 0.380 45.573 45.100 0.156 0.000 0.916 326 G HN 0.624 nan 8.290 nan 0.000 0.502 327 N N 0.677 119.157 118.700 -0.367 0.000 2.494 327 N HA 0.620 5.360 4.740 -0.000 0.000 0.270 327 N C 0.033 174.641 175.510 -1.503 0.000 1.285 327 N CA -0.010 52.632 53.050 -0.679 0.000 0.812 327 N CB 2.277 40.463 38.487 -0.502 0.000 1.557 327 N HN 0.351 nan 8.380 nan 0.000 0.487 328 A N 1.515 123.778 122.820 -0.928 0.000 2.508 328 A HA 0.171 4.491 4.320 -0.000 0.000 0.250 328 A C 0.152 177.461 177.584 -0.459 0.000 1.208 328 A CA -0.639 50.915 52.037 -0.805 0.000 0.960 328 A CB -0.145 18.774 19.000 -0.135 0.000 1.099 328 A HN 0.644 nan 8.150 nan 0.000 0.542 329 W N 1.147 121.976 121.300 -0.785 0.000 2.181 329 W HA 0.145 4.805 4.660 -0.000 0.000 0.335 329 W C 1.217 177.298 176.519 -0.730 0.000 1.310 329 W CA 0.236 57.076 57.345 -0.842 0.000 1.226 329 W CB 0.368 29.140 29.460 -1.148 0.000 1.155 329 W HN 0.586 nan 8.180 nan 0.000 0.565 330 Y N 1.641 121.248 120.300 -1.155 0.000 2.256 330 Y HA -0.266 4.284 4.550 -0.000 0.000 0.288 330 Y C 2.238 177.954 175.900 -0.308 0.000 1.155 330 Y CA 2.413 60.121 58.100 -0.654 0.000 1.203 330 Y CB -1.501 36.568 38.460 -0.652 0.000 0.980 330 Y HN 0.286 nan 8.280 nan 0.000 0.530 331 T N -3.463 110.478 114.554 -1.021 0.000 3.067 331 T HA -0.044 4.306 4.350 -0.000 0.000 0.261 331 T C 0.298 174.866 174.700 -0.219 0.000 1.110 331 T CA 0.600 62.323 62.100 -0.628 0.000 1.113 331 T CB -0.855 67.665 68.868 -0.579 0.000 0.917 331 T HN 0.680 nan 8.240 nan 0.000 0.499 332 H N 1.875 120.720 119.070 -0.376 0.000 2.702 332 H HA -0.073 4.483 4.556 -0.000 0.000 0.328 332 H C -2.477 172.667 175.328 -0.307 0.000 1.111 332 H CA 0.063 55.886 56.048 -0.376 0.000 1.109 332 H CB -1.591 27.934 29.762 -0.394 0.000 1.606 332 H HN 0.466 nan 8.280 nan 0.000 0.399 333 P HA 0.057 nan 4.420 nan 0.000 0.272 333 P C 0.557 177.757 177.300 -0.167 0.000 1.223 333 P CA 0.020 63.016 63.100 -0.174 0.000 0.784 333 P CB 0.599 32.180 31.700 -0.197 0.000 0.923 334 D N -0.636 119.705 120.400 -0.098 0.000 2.673 334 D HA -0.004 4.635 4.640 -0.000 0.000 0.278 334 D C 0.072 176.441 176.300 0.114 0.000 1.393 334 D CA -0.267 53.695 54.000 -0.064 0.000 0.805 334 D CB -0.978 39.709 40.800 -0.187 0.000 1.110 334 D HN 0.209 nan 8.370 nan 0.000 0.476 335 N N 1.362 120.094 118.700 0.055 0.000 2.273 335 N HA 0.024 4.764 4.740 -0.000 0.000 0.231 335 N C -0.073 175.462 175.510 0.041 0.000 1.134 335 N CA -0.467 52.618 53.050 0.059 0.000 0.856 335 N CB -0.006 38.504 38.487 0.039 0.000 1.068 335 N HN 0.036 nan 8.380 nan 0.000 0.510 336 R N 0.102 120.641 120.500 0.064 0.000 3.301 336 R HA -0.113 4.227 4.340 -0.000 0.000 0.249 336 R C -2.119 174.254 176.300 0.122 0.000 0.964 336 R CA 0.373 56.529 56.100 0.092 0.000 0.653 336 R CB -1.701 28.510 30.300 -0.148 0.000 1.043 336 R HN 0.481 nan 8.270 nan 0.000 0.454 337 P HA -0.004 nan 4.420 nan 0.000 0.271 337 P C -0.537 176.945 177.300 0.302 0.000 1.218 337 P CA -0.089 63.133 63.100 0.203 0.000 0.780 337 P CB 0.549 32.413 31.700 0.274 0.000 0.901 338 N N 2.244 121.092 118.700 0.247 0.000 2.402 338 N HA 0.066 4.806 4.740 -0.000 0.000 0.259 338 N C -0.265 175.388 175.510 0.238 0.000 1.167 338 N CA 0.070 53.284 53.050 0.273 0.000 0.949 338 N CB -0.097 38.498 38.487 0.180 0.000 1.212 338 N HN 0.499 nan 8.380 nan 0.000 0.493 339 W N 1.686 123.002 121.300 0.026 0.000 2.253 339 W HA 0.304 4.964 4.660 -0.000 0.000 0.348 339 W C -0.141 176.457 176.519 0.132 0.000 1.229 339 W CA -0.373 56.951 57.345 -0.035 0.000 1.335 339 W CB 1.131 30.469 29.460 -0.203 0.000 1.165 339 W HN 0.339 nan 8.180 nan 0.000 0.631 340 N N 1.839 120.462 118.700 -0.129 0.000 2.503 340 N HA 0.218 4.958 4.740 -0.000 0.000 0.287 340 N C -1.953 173.609 175.510 0.087 0.000 1.096 340 N CA -0.402 52.672 53.050 0.040 0.000 0.936 340 N CB 1.309 39.732 38.487 -0.107 0.000 1.570 340 N HN 0.449 nan 8.380 nan 0.000 0.504 341 H N 0.327 119.489 119.070 0.153 0.000 3.086 341 H HA 0.472 5.028 4.556 -0.000 0.000 0.353 341 H C -1.483 173.826 175.328 -0.030 0.000 1.134 341 H CA -0.326 55.791 56.048 0.115 0.000 1.248 341 H CB 1.432 31.441 29.762 0.411 0.000 1.878 341 H HN 0.338 nan 8.280 nan 0.000 0.527 342 T N 4.849 119.104 114.554 -0.499 0.000 2.823 342 T HA 0.421 4.771 4.350 -0.000 0.000 0.279 342 T C -1.076 173.431 174.700 -0.320 0.000 0.998 342 T CA -0.394 61.539 62.100 -0.279 0.000 0.994 342 T CB 0.380 69.146 68.868 -0.170 0.000 0.960 342 T HN 0.229 nan 8.240 nan 0.000 0.448 343 F N 1.454 121.473 119.950 0.114 0.000 2.495 343 F HA 0.515 5.042 4.527 -0.000 0.000 0.327 343 F C -0.042 175.761 175.800 0.005 0.000 1.103 343 F CA -1.272 56.798 58.000 0.117 0.000 0.949 343 F CB 1.570 40.670 39.000 0.166 0.000 1.142 343 F HN 0.168 nan 8.300 nan 0.000 0.457 344 V N 5.511 125.521 119.914 0.161 0.000 2.348 344 V HA 0.237 4.357 4.120 -0.000 0.000 0.270 344 V C -0.052 175.999 176.094 -0.072 0.000 1.037 344 V CA -0.494 61.803 62.300 -0.005 0.000 0.872 344 V CB 0.655 32.439 31.823 -0.066 0.000 1.002 344 V HN 0.350 nan 8.190 nan 0.000 0.464 345 I N 5.875 126.318 120.570 -0.212 0.000 2.269 345 I HA 0.670 4.840 4.170 -0.000 0.000 0.293 345 I C 0.886 176.759 176.117 -0.407 0.000 1.106 345 I CA 0.600 61.681 61.300 -0.364 0.000 1.248 345 I CB -0.228 37.381 38.000 -0.651 0.000 1.444 345 I HN 0.826 nan 8.210 nan 0.000 0.497 346 G N 7.999 116.665 108.800 -0.223 0.000 2.366 346 G HA2 0.111 4.071 3.960 -0.000 0.000 0.190 346 G HA3 0.111 4.071 3.960 -0.000 0.000 0.190 346 G C -2.986 171.868 174.900 -0.076 0.000 1.299 346 G CA -0.729 44.275 45.100 -0.160 0.000 1.056 346 G HN 0.308 nan 8.290 nan 0.000 0.468 347 P HA 0.362 nan 4.420 nan 0.000 0.269 347 P C -0.664 176.657 177.300 0.035 0.000 1.211 347 P CA -0.150 62.953 63.100 0.006 0.000 0.781 347 P CB 0.158 31.858 31.700 0.000 0.000 0.877 348 Y N 1.839 122.111 120.300 -0.048 0.000 2.480 348 Y HA 0.078 4.628 4.550 -0.000 0.000 0.338 348 Y C 1.450 177.320 175.900 -0.050 0.000 1.220 348 Y CA 0.738 58.809 58.100 -0.047 0.000 1.430 348 Y CB 0.759 39.194 38.460 -0.041 0.000 1.311 348 Y HN 0.381 nan 8.280 nan 0.000 0.575 349 K N 1.443 121.361 120.400 -0.805 0.000 2.585 349 K HA 0.177 4.497 4.320 -0.000 0.000 0.198 349 K C -1.232 174.852 176.600 -0.861 0.000 1.403 349 K CA 0.721 56.648 56.287 -0.601 0.000 1.021 349 K CB 0.556 32.864 32.500 -0.320 0.000 1.558 349 K HN 0.878 nan 8.250 nan 0.000 0.524 350 D N -1.790 117.961 120.400 -1.082 0.000 2.755 350 D HA 0.110 4.750 4.640 -0.000 0.000 0.277 350 D C -0.167 175.828 176.300 -0.508 0.000 1.261 350 D CA -0.761 52.812 54.000 -0.711 0.000 0.759 350 D CB 1.024 41.630 40.800 -0.324 0.000 1.279 350 D HN -0.130 nan 8.370 nan 0.000 0.420 351 K N 0.079 120.299 120.400 -0.302 0.000 2.009 351 K HA -0.092 4.228 4.320 -0.000 0.000 0.210 351 K C 2.107 178.327 176.600 -0.633 0.000 1.049 351 K CA 1.629 57.698 56.287 -0.363 0.000 0.929 351 K CB -0.492 31.863 32.500 -0.240 0.000 0.714 351 K HN 0.462 nan 8.250 nan 0.000 0.440 352 A N 1.751 124.015 122.820 -0.927 0.000 1.927 352 A HA -0.191 4.129 4.320 -0.000 0.000 0.220 352 A C 2.008 179.401 177.584 -0.318 0.000 1.185 352 A CA 2.321 53.634 52.037 -1.207 0.000 0.639 352 A CB -0.602 18.056 19.000 -0.571 0.000 0.820 352 A HN 0.423 nan 8.150 nan 0.000 0.451 353 S N -1.435 114.175 115.700 -0.149 0.000 2.622 353 S HA 0.382 4.851 4.470 -0.000 0.000 0.236 353 S C 0.287 175.026 174.600 0.231 0.000 0.956 353 S CA 0.322 58.588 58.200 0.111 0.000 0.971 353 S CB -0.186 62.986 63.200 -0.047 0.000 0.782 353 S HN 0.374 nan 8.310 nan 0.000 0.468 354 S N 0.932 116.755 115.700 0.204 0.000 2.594 354 S HA 0.507 4.977 4.470 -0.000 0.000 0.322 354 S C 0.856 175.590 174.600 0.222 0.000 1.085 354 S CA -0.838 57.489 58.200 0.212 0.000 1.116 354 S CB -0.008 63.360 63.200 0.280 0.000 0.979 354 S HN 0.447 nan 8.310 nan 0.000 0.465 355 I N 4.052 124.643 120.570 0.034 0.000 2.179 355 I HA -0.154 4.016 4.170 -0.000 0.000 0.242 355 I C 2.793 178.771 176.117 -0.231 0.000 1.088 355 I CA 0.978 62.147 61.300 -0.218 0.000 1.357 355 I CB -0.224 37.469 38.000 -0.512 0.000 1.051 355 I HN 0.617 nan 8.210 nan 0.000 0.409 356 R N -0.103 120.312 120.500 -0.142 0.000 2.083 356 R HA -0.256 4.084 4.340 -0.000 0.000 0.237 356 R C 2.465 178.774 176.300 0.015 0.000 1.137 356 R CA 2.111 58.146 56.100 -0.108 0.000 0.951 356 R CB -0.520 29.735 30.300 -0.075 0.000 0.851 356 R HN 0.304 nan 8.270 nan 0.000 0.434 357 Y N 1.427 121.728 120.300 0.002 0.000 2.049 357 Y HA -0.316 4.234 4.550 -0.000 0.000 0.277 357 Y C 2.260 178.201 175.900 0.068 0.000 1.143 357 Y CA 2.067 60.194 58.100 0.044 0.000 1.115 357 Y CB -0.422 38.109 38.460 0.118 0.000 0.975 357 Y HN 0.118 nan 8.280 nan 0.000 0.487 358 Q N -0.780 119.146 119.800 0.209 0.000 2.217 358 Q HA -0.295 4.045 4.340 -0.000 0.000 0.209 358 Q C 2.150 178.123 176.000 -0.044 0.000 0.988 358 Q CA 1.803 57.745 55.803 0.232 0.000 0.878 358 Q CB -0.656 28.475 28.738 0.655 0.000 0.909 358 Q HN 0.751 nan 8.270 nan 0.000 0.424 359 W N 1.386 122.387 121.300 -0.498 0.000 2.409 359 W HA -0.135 4.525 4.660 -0.000 0.000 0.299 359 W C 0.660 176.975 176.519 -0.341 0.000 1.203 359 W CA 1.197 58.189 57.345 -0.587 0.000 1.298 359 W CB 0.030 29.067 29.460 -0.705 0.000 1.127 359 W HN 0.132 nan 8.180 nan 0.000 0.528 360 D N 0.282 120.623 120.400 -0.099 0.000 2.312 360 D HA -0.076 4.564 4.640 -0.000 0.000 0.211 360 D C 1.317 177.482 176.300 -0.225 0.000 0.964 360 D CA 1.059 54.976 54.000 -0.139 0.000 0.877 360 D CB 0.009 40.756 40.800 -0.089 0.000 0.924 360 D HN 0.079 nan 8.370 nan 0.000 0.515 361 K N 0.510 120.726 120.400 -0.307 0.000 2.514 361 K HA 0.141 4.460 4.320 -0.000 0.000 0.207 361 K C 1.354 177.837 176.600 -0.195 0.000 1.035 361 K CA -0.131 55.993 56.287 -0.270 0.000 1.113 361 K CB 0.790 33.014 32.500 -0.460 0.000 0.846 361 K HN 0.253 nan 8.250 nan 0.000 0.491 362 R N -0.618 119.699 120.500 -0.304 0.000 2.285 362 R HA -0.047 4.293 4.340 -0.000 0.000 0.213 362 R C 0.456 176.514 176.300 -0.403 0.000 1.068 362 R CA 1.102 56.997 56.100 -0.340 0.000 1.004 362 R CB -0.287 29.697 30.300 -0.527 0.000 0.873 362 R HN 0.044 nan 8.270 nan 0.000 0.467 363 Y N 0.494 120.737 120.300 -0.095 0.000 2.457 363 Y HA 0.299 4.849 4.550 -0.000 0.000 0.263 363 Y C 0.177 176.046 175.900 -0.052 0.000 1.164 363 Y CA -0.833 57.223 58.100 -0.073 0.000 1.274 363 Y CB 0.476 38.884 38.460 -0.086 0.000 1.097 363 Y HN -0.061 nan 8.280 nan 0.000 0.523 364 I N 1.822 122.421 120.570 0.049 0.000 2.291 364 I HA 0.195 4.365 4.170 -0.000 0.000 0.290 364 I C -1.576 174.551 176.117 0.016 0.000 1.050 364 I CA -2.425 58.895 61.300 0.034 0.000 1.245 364 I CB 1.104 39.115 38.000 0.019 0.000 1.405 364 I HN -0.092 nan 8.210 nan 0.000 0.478 365 P HA -0.199 nan 4.420 nan 0.000 0.216 365 P C 1.513 178.802 177.300 -0.018 0.000 1.167 365 P CA 1.386 64.488 63.100 0.003 0.000 0.914 365 P CB 0.174 31.879 31.700 0.008 0.000 0.793 366 G N -1.015 107.779 108.800 -0.011 0.000 2.708 366 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.210 366 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.210 366 G C 1.319 176.200 174.900 -0.031 0.000 1.141 366 G CA 0.296 45.380 45.100 -0.026 0.000 0.788 366 G HN 0.223 nan 8.290 nan 0.000 0.531 367 E N -0.210 119.989 120.200 -0.001 0.000 2.452 367 E HA 0.072 4.422 4.350 -0.000 0.000 0.197 367 E C 0.754 177.377 176.600 0.038 0.000 1.022 367 E CA 0.026 56.467 56.400 0.067 0.000 0.890 367 E CB 0.707 30.464 29.700 0.095 0.000 0.918 367 E HN 0.188 nan 8.360 nan 0.000 0.496 368 V N 2.906 122.778 119.914 -0.071 0.000 2.153 368 V HA 0.091 4.211 4.120 -0.000 0.000 0.250 368 V C 1.037 176.814 176.094 -0.529 0.000 1.334 368 V CA 0.421 62.638 62.300 -0.139 0.000 1.249 368 V CB -0.155 31.621 31.823 -0.079 0.000 1.371 368 V HN 0.031 nan 8.190 nan 0.000 0.498 369 K N 1.936 121.833 120.400 -0.838 0.000 2.358 369 K HA 0.177 4.497 4.320 -0.000 0.000 0.197 369 K C 0.589 175.875 176.600 -2.190 0.000 1.025 369 K CA 0.190 55.460 56.287 -1.695 0.000 1.104 369 K CB 0.514 31.989 32.500 -1.708 0.000 0.855 369 K HN 0.599 nan 8.250 nan 0.000 0.531 370 W N -0.465 120.212 121.300 -1.038 0.000 4.480 370 W HA 0.191 4.851 4.660 -0.000 0.000 0.244 370 W C -0.236 175.363 176.519 -1.533 0.000 3.451 370 W CA -0.476 56.057 57.345 -1.353 0.000 1.187 370 W CB -0.645 28.565 29.460 -0.417 0.000 2.108 370 W HN -0.152 nan 8.180 nan 0.000 0.356 371 W N 2.711 123.845 121.300 -0.277 0.000 2.351 371 W HA 0.216 4.876 4.660 -0.000 0.000 0.311 371 W C 0.223 176.425 176.519 -0.528 0.000 1.168 371 W CA -0.098 56.972 57.345 -0.458 0.000 1.200 371 W CB 0.481 29.629 29.460 -0.520 0.000 1.221 371 W HN -0.227 nan 8.180 nan 0.000 0.519 372 D N 3.047 123.325 120.400 -0.204 0.000 2.517 372 D HA 0.031 4.670 4.640 -0.000 0.000 0.220 372 D C 0.405 176.673 176.300 -0.055 0.000 1.158 372 D CA -0.286 53.665 54.000 -0.082 0.000 0.992 372 D CB 0.011 40.832 40.800 0.034 0.000 1.058 372 D HN 0.416 nan 8.370 nan 0.000 0.516 373 W N 2.345 123.720 121.300 0.125 0.000 2.363 373 W HA -0.082 4.578 4.660 -0.000 0.000 0.296 373 W C 2.098 178.571 176.519 -0.077 0.000 1.212 373 W CA 0.362 57.733 57.345 0.044 0.000 1.260 373 W CB -0.428 28.972 29.460 -0.100 0.000 1.131 373 W HN 0.397 nan 8.180 nan 0.000 0.530 374 N N -1.095 117.629 118.700 0.039 0.000 2.205 374 N HA -0.240 4.500 4.740 -0.000 0.000 0.186 374 N C 1.457 177.014 175.510 0.078 0.000 1.015 374 N CA 1.364 54.388 53.050 -0.044 0.000 0.862 374 N CB -0.499 37.935 38.487 -0.088 0.000 0.986 374 N HN 0.162 nan 8.380 nan 0.000 0.429 375 W N 1.981 123.271 121.300 -0.015 0.000 2.332 375 W HA -0.234 4.425 4.660 -0.000 0.000 0.321 375 W C 2.715 179.239 176.519 0.009 0.000 1.219 375 W CA 2.395 59.748 57.345 0.014 0.000 1.277 375 W CB -0.964 28.544 29.460 0.079 0.000 1.161 375 W HN 0.042 nan 8.180 nan 0.000 0.476 376 T N -1.148 113.540 114.554 0.222 0.000 2.778 376 T HA -0.297 4.053 4.350 -0.000 0.000 0.269 376 T C 1.804 176.449 174.700 -0.091 0.000 1.050 376 T CA 2.016 64.138 62.100 0.036 0.000 1.137 376 T CB -0.873 68.134 68.868 0.231 0.000 0.860 376 T HN 0.330 nan 8.240 nan 0.000 0.468 377 I N 1.073 121.627 120.570 -0.027 0.000 2.202 377 I HA -0.148 4.022 4.170 -0.000 0.000 0.242 377 I C 3.159 179.201 176.117 -0.125 0.000 1.091 377 I CA 1.539 62.812 61.300 -0.046 0.000 1.368 377 I CB -0.520 37.455 38.000 -0.041 0.000 1.058 377 I HN 0.290 nan 8.210 nan 0.000 0.410 378 Q N 0.914 120.608 119.800 -0.178 0.000 2.167 378 Q HA -0.266 4.074 4.340 -0.000 0.000 0.202 378 Q C 2.046 177.866 176.000 -0.301 0.000 0.970 378 Q CA 1.712 57.389 55.803 -0.211 0.000 0.855 378 Q CB -0.001 28.611 28.738 -0.209 0.000 0.911 378 Q HN 0.449 nan 8.270 nan 0.000 0.438 379 Q N -0.013 119.507 119.800 -0.466 0.000 2.187 379 Q HA 0.041 4.381 4.340 -0.000 0.000 0.199 379 Q C 0.956 176.792 176.000 -0.274 0.000 0.957 379 Q CA 1.382 56.884 55.803 -0.503 0.000 0.857 379 Q CB 0.389 28.602 28.738 -0.876 0.000 0.929 379 Q HN 0.436 nan 8.270 nan 0.000 0.453 380 N N -1.784 116.775 118.700 -0.236 0.000 2.168 380 N HA 0.240 4.980 4.740 -0.000 0.000 0.216 380 N C -0.491 174.935 175.510 -0.141 0.000 1.259 380 N CA 0.767 53.705 53.050 -0.186 0.000 0.902 380 N CB 1.839 40.118 38.487 -0.346 0.000 1.079 380 N HN 0.161 nan 8.380 nan 0.000 0.507 381 G N 1.612 110.342 108.800 -0.118 0.000 2.784 381 G HA2 -0.171 3.789 3.960 -0.000 0.000 0.686 381 G HA3 -0.171 3.789 3.960 -0.000 0.000 0.686 381 G C 0.288 175.169 174.900 -0.031 0.000 1.156 381 G CA -0.394 44.666 45.100 -0.067 0.000 0.757 381 G HN 0.097 nan 8.290 nan 0.000 0.642 382 L N 2.137 123.368 121.223 0.014 0.000 2.042 382 L HA 0.041 4.381 4.340 -0.000 0.000 0.210 382 L C 2.827 179.742 176.870 0.075 0.000 1.076 382 L CA 3.437 58.329 54.840 0.087 0.000 0.749 382 L CB -0.787 41.330 42.059 0.096 0.000 0.893 382 L HN 1.175 nan 8.230 nan 0.000 0.432 383 S N -1.674 114.040 115.700 0.023 0.000 2.368 383 S HA -0.201 4.269 4.470 -0.000 0.000 0.225 383 S C 1.903 176.477 174.600 -0.043 0.000 1.030 383 S CA 1.862 60.060 58.200 -0.004 0.000 0.999 383 S CB -0.477 62.715 63.200 -0.012 0.000 0.844 383 S HN 0.686 nan 8.310 nan 0.000 0.459 384 T N 2.506 117.019 114.554 -0.069 0.000 2.777 384 T HA -0.012 4.338 4.350 -0.000 0.000 0.266 384 T C 1.874 176.476 174.700 -0.163 0.000 1.040 384 T CA 1.321 63.347 62.100 -0.123 0.000 1.141 384 T CB -0.221 68.549 68.868 -0.164 0.000 0.868 384 T HN 0.297 nan 8.240 nan 0.000 0.444 385 M N 1.294 120.815 119.600 -0.132 0.000 2.175 385 M HA -0.026 4.454 4.480 -0.000 0.000 0.264 385 M C 2.294 178.489 176.300 -0.176 0.000 1.063 385 M CA 1.387 56.632 55.300 -0.092 0.000 1.119 385 M CB -1.205 31.507 32.600 0.186 0.000 1.377 385 M HN 0.344 nan 8.290 nan 0.000 0.415 386 Q N -0.004 119.711 119.800 -0.142 0.000 2.050 386 Q HA -0.172 4.168 4.340 -0.000 0.000 0.202 386 Q C 1.806 177.664 176.000 -0.236 0.000 0.980 386 Q CA 1.705 57.351 55.803 -0.262 0.000 0.840 386 Q CB -0.313 28.357 28.738 -0.114 0.000 0.898 386 Q HN 0.656 nan 8.270 nan 0.000 0.424 387 N N 0.469 119.080 118.700 -0.149 0.000 2.188 387 N HA -0.149 4.591 4.740 -0.000 0.000 0.184 387 N C 1.645 177.081 175.510 -0.123 0.000 1.018 387 N CA 0.789 53.764 53.050 -0.125 0.000 0.858 387 N CB -0.106 38.325 38.487 -0.093 0.000 0.989 387 N HN 0.261 nan 8.380 nan 0.000 0.426 388 N N 1.460 120.098 118.700 -0.103 0.000 2.039 388 N HA -0.118 4.622 4.740 -0.000 0.000 0.193 388 N C 1.633 177.076 175.510 -0.111 0.000 1.044 388 N CA 0.933 53.959 53.050 -0.040 0.000 0.847 388 N CB -0.064 38.493 38.487 0.118 0.000 1.030 388 N HN 0.166 nan 8.380 nan 0.000 0.422 389 L N 0.771 121.863 121.223 -0.218 0.000 2.261 389 L HA -0.125 4.215 4.340 -0.000 0.000 0.216 389 L C 2.590 179.279 176.870 -0.302 0.000 1.114 389 L CA 0.869 55.511 54.840 -0.330 0.000 0.777 389 L CB -0.462 41.229 42.059 -0.614 0.000 0.910 389 L HN 0.278 nan 8.230 nan 0.000 0.440 390 A N -0.080 122.585 122.820 -0.257 0.000 1.897 390 A HA -0.130 4.190 4.320 -0.000 0.000 0.215 390 A C 2.406 179.907 177.584 -0.137 0.000 1.181 390 A CA 0.893 52.809 52.037 -0.202 0.000 0.620 390 A CB -0.267 18.631 19.000 -0.170 0.000 0.821 390 A HN 0.224 nan 8.150 nan 0.000 0.443 391 R N -0.263 120.170 120.500 -0.111 0.000 2.073 391 R HA -0.088 4.252 4.340 -0.000 0.000 0.234 391 R C 2.119 178.383 176.300 -0.059 0.000 1.134 391 R CA 1.503 57.561 56.100 -0.070 0.000 0.952 391 R CB -1.271 28.994 30.300 -0.058 0.000 0.850 391 R HN 0.416 nan 8.270 nan 0.000 0.433 392 V N 1.672 121.531 119.914 -0.091 0.000 2.343 392 V HA -0.182 3.938 4.120 -0.000 0.000 0.247 392 V C 2.250 178.296 176.094 -0.079 0.000 1.051 392 V CA 1.509 63.756 62.300 -0.089 0.000 1.036 392 V CB -0.366 31.378 31.823 -0.132 0.000 0.654 392 V HN 0.236 nan 8.190 nan 0.000 0.451 393 L N -0.506 120.639 121.223 -0.131 0.000 2.592 393 L HA 0.142 4.481 4.340 -0.000 0.000 0.227 393 L C 1.339 178.154 176.870 -0.091 0.000 1.127 393 L CA -0.063 54.695 54.840 -0.136 0.000 0.884 393 L CB -0.296 41.645 42.059 -0.197 0.000 1.065 393 L HN 0.220 nan 8.230 nan 0.000 0.457 394 R N 2.438 122.904 120.500 -0.057 0.000 2.537 394 R HA 0.025 4.365 4.340 -0.000 0.000 0.281 394 R C -2.175 174.123 176.300 -0.003 0.000 0.988 394 R CA -1.123 54.959 56.100 -0.030 0.000 1.077 394 R CB 0.316 30.611 30.300 -0.007 0.000 0.932 394 R HN -0.106 nan 8.270 nan 0.000 0.409 395 P HA 0.012 nan 4.420 nan 0.000 0.267 395 P C -1.216 176.107 177.300 0.037 0.000 1.205 395 P CA -0.118 62.983 63.100 0.002 0.000 0.765 395 P CB 0.932 32.625 31.700 -0.012 0.000 0.828 396 V N 5.660 125.617 119.914 0.072 0.000 2.409 396 V HA 0.432 4.552 4.120 -0.000 0.000 0.291 396 V C 0.307 176.462 176.094 0.103 0.000 1.020 396 V CA -0.497 61.867 62.300 0.108 0.000 0.848 396 V CB 1.432 33.374 31.823 0.198 0.000 0.990 396 V HN 0.456 nan 8.190 nan 0.000 0.430 397 R N 2.891 123.437 120.500 0.076 0.000 2.534 397 R HA 0.824 5.164 4.340 -0.000 0.000 0.301 397 R C -0.531 175.809 176.300 0.066 0.000 0.961 397 R CA -0.499 55.644 56.100 0.072 0.000 0.871 397 R CB 2.387 32.710 30.300 0.038 0.000 1.170 397 R HN 0.790 nan 8.270 nan 0.000 0.446 398 A N 1.411 124.279 122.820 0.081 0.000 2.312 398 A HA 0.735 5.055 4.320 -0.000 0.000 0.328 398 A C -0.059 177.541 177.584 0.026 0.000 1.158 398 A CA -0.625 51.440 52.037 0.046 0.000 0.821 398 A CB 1.456 20.485 19.000 0.049 0.000 1.170 398 A HN 0.756 nan 8.150 nan 0.000 0.490 399 G N 0.773 109.580 108.800 0.013 0.000 2.348 399 G HA2 0.536 4.496 3.960 -0.000 0.000 0.312 399 G HA3 0.536 4.496 3.960 -0.000 0.000 0.312 399 G C -0.548 174.376 174.900 0.040 0.000 1.126 399 G CA -0.349 44.767 45.100 0.027 0.000 0.865 399 G HN 0.463 nan 8.290 nan 0.000 0.474 400 I N 2.073 122.682 120.570 0.066 0.000 2.354 400 I HA 0.479 4.649 4.170 -0.000 0.000 0.292 400 I C 0.552 176.779 176.117 0.185 0.000 0.989 400 I CA -0.653 60.698 61.300 0.086 0.000 1.188 400 I CB 0.979 38.934 38.000 -0.075 0.000 1.342 400 I HN 0.593 nan 8.210 nan 0.000 0.457 401 T N 1.654 116.285 114.554 0.128 0.000 2.883 401 T HA 0.976 5.326 4.350 -0.000 0.000 0.296 401 T C -0.156 174.369 174.700 -0.292 0.000 1.117 401 T CA -0.736 61.299 62.100 -0.108 0.000 1.006 401 T CB 2.748 71.591 68.868 -0.043 0.000 1.191 401 T HN 0.990 nan 8.240 nan 0.000 0.508 402 G N 0.266 108.608 108.800 -0.762 0.000 2.325 402 G HA2 0.478 4.438 3.960 -0.000 0.000 0.295 402 G HA3 0.478 4.438 3.960 -0.000 0.000 0.295 402 G C -2.309 172.471 174.900 -0.199 0.000 1.274 402 G CA -0.745 44.120 45.100 -0.391 0.000 0.857 402 G HN 0.766 nan 8.290 nan 0.000 0.499 403 D N -0.491 120.054 120.400 0.242 0.000 2.269 403 D HA 0.710 5.350 4.640 -0.000 0.000 0.244 403 D C -1.421 175.217 176.300 0.563 0.000 0.992 403 D CA -0.000 54.209 54.000 0.349 0.000 0.894 403 D CB 2.580 43.481 40.800 0.167 0.000 1.248 403 D HN 0.310 nan 8.370 nan 0.000 0.468 404 F N 0.997 121.077 119.950 0.216 0.000 2.578 404 F HA 0.456 4.983 4.527 -0.000 0.000 0.311 404 F C -1.209 174.459 175.800 -0.221 0.000 1.094 404 F CA -0.540 57.445 58.000 -0.024 0.000 0.923 404 F CB 1.661 40.601 39.000 -0.100 0.000 1.230 404 F HN 0.232 nan 8.300 nan 0.000 0.450 405 S N 4.340 119.393 115.700 -1.079 0.000 2.572 405 S HA 0.942 5.412 4.470 -0.000 0.000 0.274 405 S C -1.459 172.563 174.600 -0.962 0.000 1.150 405 S CA -0.322 57.372 58.200 -0.843 0.000 0.944 405 S CB 1.294 64.273 63.200 -0.369 0.000 1.071 405 S HN 1.389 nan 8.310 nan 0.000 0.479 406 A N 1.717 124.121 122.820 -0.693 0.000 2.435 406 A HA 0.885 5.205 4.320 -0.000 0.000 0.304 406 A C -0.851 176.653 177.584 -0.134 0.000 1.064 406 A CA -0.645 51.172 52.037 -0.366 0.000 0.727 406 A CB 1.813 20.659 19.000 -0.257 0.000 1.284 406 A HN 0.946 nan 8.150 nan 0.000 0.415 407 E N 0.884 121.048 120.200 -0.060 0.000 2.260 407 E HA 0.584 4.934 4.350 -0.000 0.000 0.266 407 E C -0.727 175.886 176.600 0.021 0.000 0.887 407 E CA -0.258 56.133 56.400 -0.014 0.000 0.777 407 E CB 1.456 31.132 29.700 -0.041 0.000 1.205 407 E HN 0.901 nan 8.360 nan 0.000 0.414 408 S N 3.150 118.892 115.700 0.069 0.000 2.794 408 S HA 0.608 5.078 4.470 -0.000 0.000 0.299 408 S C -0.761 173.885 174.600 0.076 0.000 1.179 408 S CA -0.877 57.378 58.200 0.092 0.000 0.838 408 S CB 2.033 65.337 63.200 0.175 0.000 1.206 408 S HN 0.516 nan 8.310 nan 0.000 0.523 409 Q N -0.090 119.748 119.800 0.062 0.000 2.345 409 Q HA 0.730 5.070 4.340 -0.000 0.000 0.275 409 Q C -1.764 174.304 176.000 0.113 0.000 1.063 409 Q CA -0.714 55.046 55.803 -0.071 0.000 0.819 409 Q CB 2.306 30.868 28.738 -0.293 0.000 1.356 409 Q HN 0.749 nan 8.270 nan 0.000 0.418 410 F N -1.113 118.987 119.950 0.250 0.000 2.741 410 F HA 0.901 5.428 4.527 -0.000 0.000 0.313 410 F C -1.535 174.453 175.800 0.313 0.000 1.153 410 F CA -1.373 56.776 58.000 0.247 0.000 0.931 410 F CB 0.595 39.702 39.000 0.178 0.000 1.335 410 F HN 0.512 nan 8.300 nan 0.000 0.460 411 A N 0.578 123.689 122.820 0.486 0.000 2.306 411 A HA 0.852 5.172 4.320 -0.000 0.000 0.330 411 A C 0.183 178.033 177.584 0.443 0.000 1.146 411 A CA -0.260 51.958 52.037 0.301 0.000 0.827 411 A CB 0.582 19.684 19.000 0.170 0.000 1.178 411 A HN 1.494 nan 8.150 nan 0.000 0.490 412 G N 0.118 109.125 108.800 0.344 0.000 2.525 412 G HA2 0.438 4.398 3.960 -0.000 0.000 0.287 412 G HA3 0.438 4.398 3.960 -0.000 0.000 0.287 412 G C -0.146 174.869 174.900 0.193 0.000 1.350 412 G CA -0.765 44.567 45.100 0.386 0.000 1.039 412 G HN 0.864 nan 8.290 nan 0.000 0.513 413 N N -1.234 117.553 118.700 0.145 0.000 2.399 413 N HA 0.245 4.985 4.740 -0.000 0.000 0.250 413 N C -0.117 175.427 175.510 0.057 0.000 1.272 413 N CA -0.262 52.840 53.050 0.087 0.000 0.928 413 N CB 1.253 39.780 38.487 0.066 0.000 1.158 413 N HN 0.280 nan 8.380 nan 0.000 0.463 414 I N 1.164 121.756 120.570 0.038 0.000 2.436 414 I HA 0.026 4.196 4.170 -0.000 0.000 0.289 414 I C 0.281 176.404 176.117 0.010 0.000 1.083 414 I CA 0.195 61.504 61.300 0.014 0.000 1.372 414 I CB 0.044 38.053 38.000 0.014 0.000 1.408 414 I HN 0.389 nan 8.210 nan 0.000 0.516 415 E N 7.401 127.598 120.200 -0.005 0.000 2.214 415 E HA 0.630 4.980 4.350 -0.000 0.000 0.274 415 E C -0.632 175.952 176.600 -0.026 0.000 0.977 415 E CA -0.763 55.633 56.400 -0.007 0.000 0.827 415 E CB 2.422 32.118 29.700 -0.007 0.000 1.130 415 E HN 0.503 nan 8.360 nan 0.000 0.394 416 I N -1.919 118.641 120.570 -0.017 0.000 2.785 416 I HA 0.762 4.932 4.170 -0.000 0.000 0.302 416 I C 0.136 176.242 176.117 -0.018 0.000 1.069 416 I CA -0.976 60.311 61.300 -0.022 0.000 1.045 416 I CB 2.037 40.038 38.000 0.002 0.000 1.236 416 I HN 0.543 nan 8.210 nan 0.000 0.429 417 G N 1.905 110.690 108.800 -0.024 0.000 2.938 417 G HA2 0.681 4.640 3.960 -0.000 0.000 0.258 417 G HA3 0.681 4.640 3.960 -0.000 0.000 0.258 417 G C -0.694 174.223 174.900 0.029 0.000 1.356 417 G CA -0.785 44.310 45.100 -0.008 0.000 1.052 417 G HN 0.982 nan 8.290 nan 0.000 0.550 418 A N 1.603 124.447 122.820 0.040 0.000 2.515 418 A HA 0.478 4.798 4.320 -0.000 0.000 0.263 418 A C -1.664 175.974 177.584 0.090 0.000 1.096 418 A CA -0.704 51.367 52.037 0.057 0.000 0.769 418 A CB -0.556 18.475 19.000 0.052 0.000 1.040 418 A HN 0.424 nan 8.150 nan 0.000 0.505 419 P HA 0.163 nan 4.420 nan 0.000 0.265 419 P C -0.591 176.764 177.300 0.092 0.000 1.193 419 P CA 0.236 63.393 63.100 0.094 0.000 0.765 419 P CB 0.714 32.453 31.700 0.065 0.000 0.823 420 V N 5.747 125.725 119.914 0.106 0.000 2.680 420 V HA 0.330 4.450 4.120 -0.000 0.000 0.309 420 V C -2.188 173.909 176.094 0.005 0.000 1.052 420 V CA -2.375 59.963 62.300 0.064 0.000 0.908 420 V CB 1.798 33.678 31.823 0.096 0.000 1.001 420 V HN 0.446 nan 8.190 nan 0.000 0.431 421 P HA 0.048 nan 4.420 nan 0.000 0.265 421 P C -0.484 176.775 177.300 -0.068 0.000 1.187 421 P CA 0.087 63.169 63.100 -0.030 0.000 0.766 421 P CB 0.418 32.104 31.700 -0.023 0.000 0.820 442 R N 4.154 124.627 120.500 -0.045 0.000 2.740 442 R HA 0.910 5.250 4.340 -0.000 0.000 0.282 442 R C -1.584 174.723 176.300 0.011 0.000 0.969 442 R CA -0.919 55.168 56.100 -0.021 0.000 0.918 442 R CB 1.818 32.106 30.300 -0.020 0.000 1.175 442 R HN 0.488 nan 8.270 nan 0.000 0.464 443 L N 1.974 123.209 121.223 0.020 0.000 2.309 443 L HA 0.375 4.715 4.340 -0.000 0.000 0.282 443 L C 0.138 177.040 176.870 0.054 0.000 1.036 443 L CA -0.472 54.394 54.840 0.044 0.000 0.806 443 L CB 1.837 43.916 42.059 0.033 0.000 1.220 443 L HN 0.784 nan 8.230 nan 0.000 0.429 444 E N 4.452 124.708 120.200 0.093 0.000 3.582 444 E HA 0.248 4.598 4.350 -0.000 0.000 0.217 444 E C -0.692 175.979 176.600 0.119 0.000 1.092 444 E CA -0.101 56.361 56.400 0.102 0.000 1.365 444 E CB 1.250 31.023 29.700 0.120 0.000 1.278 444 E HN 0.449 nan 8.360 nan 0.000 0.439 445 I N 0.891 121.499 120.570 0.064 0.000 2.359 445 I HA 0.383 4.553 4.170 -0.000 0.000 0.284 445 I C -2.479 173.645 176.117 0.012 0.000 1.018 445 I CA -2.465 58.851 61.300 0.027 0.000 1.173 445 I CB 1.079 39.075 38.000 -0.007 0.000 1.326 445 I HN -0.079 nan 8.210 nan 0.000 0.462 446 P HA 0.223 nan 4.420 nan 0.000 0.271 446 P C -1.306 175.985 177.300 -0.016 0.000 1.220 446 P CA -0.051 63.051 63.100 0.002 0.000 0.768 446 P CB 1.167 32.872 31.700 0.008 0.000 0.848 447 L N 3.050 124.265 121.223 -0.013 0.000 2.342 447 L HA 0.292 4.632 4.340 -0.000 0.000 0.276 447 L C 0.338 177.199 176.870 -0.014 0.000 0.997 447 L CA -0.602 54.226 54.840 -0.020 0.000 0.838 447 L CB 1.762 43.813 42.059 -0.013 0.000 1.224 447 L HN 0.303 nan 8.230 nan 0.000 0.416 448 D N 2.809 123.196 120.400 -0.022 0.000 2.453 448 D HA 0.245 4.885 4.640 -0.000 0.000 0.223 448 D C 1.014 177.310 176.300 -0.006 0.000 1.183 448 D CA 0.034 54.026 54.000 -0.013 0.000 0.933 448 D CB 1.720 42.509 40.800 -0.018 0.000 1.038 448 D HN 0.643 nan 8.370 nan 0.000 0.513 449 A N 4.113 126.934 122.820 0.002 0.000 1.896 449 A HA -0.306 4.014 4.320 -0.000 0.000 0.220 449 A C 1.958 179.553 177.584 0.018 0.000 1.206 449 A CA 1.716 53.760 52.037 0.013 0.000 0.647 449 A CB -0.416 18.592 19.000 0.013 0.000 0.828 449 A HN 0.679 nan 8.150 nan 0.000 0.455 450 Q N -1.277 118.529 119.800 0.011 0.000 2.084 450 Q HA -0.193 4.147 4.340 -0.000 0.000 0.202 450 Q C 2.227 178.236 176.000 0.015 0.000 0.978 450 Q CA 1.491 57.301 55.803 0.013 0.000 0.844 450 Q CB -0.180 28.562 28.738 0.007 0.000 0.898 450 Q HN 0.869 nan 8.270 nan 0.000 0.426 451 E N 0.939 121.143 120.200 0.006 0.000 2.017 451 E HA -0.193 4.157 4.350 -0.000 0.000 0.193 451 E C 2.018 178.629 176.600 0.018 0.000 0.997 451 E CA 0.823 57.225 56.400 0.002 0.000 0.804 451 E CB -0.046 29.643 29.700 -0.018 0.000 0.757 451 E HN 0.295 nan 8.360 nan 0.000 0.448 452 L N 1.020 122.251 121.223 0.013 0.000 2.079 452 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 452 L C 2.783 179.744 176.870 0.153 0.000 1.081 452 L CA 1.503 56.374 54.840 0.052 0.000 0.752 452 L CB -0.496 41.574 42.059 0.018 0.000 0.896 452 L HN 0.258 nan 8.230 nan 0.000 0.433 453 S N -0.676 115.080 115.700 0.092 0.000 2.436 453 S HA -0.050 4.419 4.470 -0.000 0.000 0.228 453 S C 1.996 176.636 174.600 0.067 0.000 1.014 453 S CA 0.675 58.923 58.200 0.081 0.000 0.950 453 S CB -0.647 62.580 63.200 0.045 0.000 0.784 453 S HN 0.411 nan 8.310 nan 0.000 0.504 454 G N 0.929 109.764 108.800 0.058 0.000 2.534 454 G HA2 0.114 4.074 3.960 -0.000 0.000 0.217 454 G HA3 0.114 4.074 3.960 -0.000 0.000 0.217 454 G C 1.034 175.971 174.900 0.063 0.000 1.128 454 G CA 0.341 45.467 45.100 0.043 0.000 0.784 454 G HN 0.471 nan 8.290 nan 0.000 0.542 455 L N -0.022 121.277 121.223 0.127 0.000 2.607 455 L HA 0.393 4.732 4.340 -0.000 0.000 0.228 455 L C 1.855 178.843 176.870 0.196 0.000 1.123 455 L CA 0.661 55.616 54.840 0.192 0.000 0.890 455 L CB 0.290 42.495 42.059 0.244 0.000 1.103 455 L HN 0.313 nan 8.230 nan 0.000 0.468 456 G N -1.325 107.525 108.800 0.084 0.000 2.144 456 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.218 456 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.218 456 G C -0.003 174.674 174.900 -0.371 0.000 0.988 456 G CA -0.528 44.480 45.100 -0.154 0.000 0.659 456 G HN 0.114 nan 8.290 nan 0.000 0.522 457 F N 2.316 122.253 119.950 -0.021 0.000 2.347 457 F HA 0.493 5.020 4.527 -0.000 0.000 0.366 457 F C 0.443 176.237 175.800 -0.010 0.000 1.107 457 F CA -1.258 56.733 58.000 -0.016 0.000 1.058 457 F CB 0.908 39.892 39.000 -0.027 0.000 1.236 457 F HN -0.032 nan 8.300 nan 0.000 0.456 458 N N 1.734 120.480 118.700 0.078 0.000 2.485 458 N HA 0.231 4.971 4.740 -0.000 0.000 0.280 458 N C 0.002 175.550 175.510 0.063 0.000 1.205 458 N CA -0.784 52.301 53.050 0.059 0.000 0.959 458 N CB 0.621 39.119 38.487 0.018 0.000 1.206 458 N HN 0.570 nan 8.380 nan 0.000 0.545 459 N N -1.268 117.459 118.700 0.046 0.000 2.677 459 N HA -0.204 4.536 4.740 -0.000 0.000 0.249 459 N C -0.112 175.428 175.510 0.050 0.000 1.073 459 N CA 0.153 53.227 53.050 0.040 0.000 0.737 459 N CB -0.856 37.650 38.487 0.032 0.000 0.999 459 N HN 0.351 nan 8.380 nan 0.000 0.543 460 V N 0.291 120.243 119.914 0.063 0.000 2.614 460 V HA 0.592 4.712 4.120 -0.000 0.000 0.291 460 V C 0.406 176.523 176.094 0.038 0.000 1.049 460 V CA 0.664 63.001 62.300 0.063 0.000 1.038 460 V CB 1.514 33.384 31.823 0.080 0.000 0.980 460 V HN 0.355 nan 8.190 nan 0.000 0.481 461 S N 6.059 121.780 115.700 0.034 0.000 2.565 461 S HA 0.688 5.158 4.470 -0.000 0.000 0.269 461 S C -1.401 173.213 174.600 0.024 0.000 1.153 461 S CA -0.974 57.241 58.200 0.025 0.000 0.835 461 S CB 1.406 64.622 63.200 0.026 0.000 1.122 461 S HN 0.852 nan 8.310 nan 0.000 0.462 462 L N 2.178 123.413 121.223 0.020 0.000 2.343 462 L HA 0.651 4.991 4.340 -0.000 0.000 0.278 462 L C -0.564 176.321 176.870 0.025 0.000 0.996 462 L CA -0.349 54.503 54.840 0.021 0.000 0.831 462 L CB 2.121 44.188 42.059 0.014 0.000 1.232 462 L HN 0.838 nan 8.230 nan 0.000 0.413 463 S N 2.072 117.791 115.700 0.032 0.000 2.568 463 S HA 0.742 5.212 4.470 -0.000 0.000 0.302 463 S C -0.497 174.131 174.600 0.048 0.000 1.082 463 S CA -0.774 57.449 58.200 0.037 0.000 1.009 463 S CB 2.594 65.818 63.200 0.039 0.000 1.069 463 S HN 0.212 nan 8.310 nan 0.000 0.500 464 V N 2.400 122.347 119.914 0.055 0.000 2.444 464 V HA 0.757 4.877 4.120 -0.000 0.000 0.294 464 V C 0.129 176.303 176.094 0.133 0.000 1.022 464 V CA -0.444 61.904 62.300 0.080 0.000 0.850 464 V CB 1.198 33.043 31.823 0.037 0.000 0.992 464 V HN 1.126 nan 8.190 nan 0.000 0.426 465 T N 2.937 117.608 114.554 0.195 0.000 2.864 465 T HA 0.643 4.993 4.350 -0.000 0.000 0.299 465 T C -3.222 171.629 174.700 0.252 0.000 1.166 465 T CA -2.362 59.877 62.100 0.231 0.000 1.007 465 T CB 2.612 71.543 68.868 0.105 0.000 1.219 465 T HN 0.411 nan 8.240 nan 0.000 0.506 466 P HA 0.321 nan 4.420 nan 0.000 0.266 466 P C -0.147 176.975 177.300 -0.296 0.000 1.215 466 P CA -0.048 62.710 63.100 -0.571 0.000 0.763 466 P CB 0.167 31.589 31.700 -0.464 0.000 0.806 467 A N 3.703 126.338 122.820 -0.309 0.000 2.477 467 A HA 0.516 4.836 4.320 -0.000 0.000 0.246 467 A C 0.460 177.959 177.584 -0.141 0.000 1.078 467 A CA 0.368 52.321 52.037 -0.141 0.000 0.770 467 A CB -0.272 18.673 19.000 -0.090 0.000 1.011 467 A HN 0.729 nan 8.150 nan 0.000 0.494 468 A N 0.000 122.770 122.820 -0.083 0.000 2.254 468 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 468 A CA 0.000 51.997 52.037 -0.067 0.000 0.836 468 A CB 0.000 18.961 19.000 -0.065 0.000 0.831 468 A HN 0.000 nan 8.150 nan 0.000 0.486