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 2as4_1_A DATA FIRST_RESID 4 DATA SEQUENCE LVHVASVEKG RSYEDFQKVY NAIALKLRED DEYDNYIGYG PVLVRLAWHI DATA SEQUENCE SGTWDKHDNT GGSYGGTYRF KKEFNDPSNA GLQNGFKFLE PIHKEFPWIS DATA SEQUENCE SGDLFSLGGV TAVQEMQGPK IPWRCGRVDT PEDTTPDNGR LPDADKDAGY DATA SEQUENCE VRTFFQRLNM NDREVVALMG AHALGKTHLK NSGYEGPGGA ANNVFTNEFY DATA SEQUENCE LNLLNEDWKL EKNDANNEQW DSKSGYMMLP TDYSLIQDPK YLSIVKEYAN DATA SEQUENCE DQDKFFKDFS KAFEKLLENG ITFPKDAPSP FIFKTLEEQG L VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 4 L HA 0.000 nan 4.340 nan 0.000 0.249 4 L C 0.000 176.687 176.870 -0.304 0.000 1.165 4 L CA 0.000 54.721 54.840 -0.198 0.000 0.813 4 L CB 0.000 41.929 42.059 -0.216 0.000 0.961 5 V N 4.488 124.208 119.914 -0.324 0.000 2.487 5 V HA 0.668 5.167 4.120 0.631 0.000 0.298 5 V C -0.841 175.018 176.094 -0.391 0.000 1.028 5 V CA -0.540 61.576 62.300 -0.307 0.000 0.860 5 V CB 1.923 33.650 31.823 -0.160 0.000 0.991 5 V HN 0.958 nan 8.190 nan 0.000 0.427 6 H N 3.389 122.232 119.070 -0.378 0.000 2.718 6 H HA 0.452 5.384 4.556 0.627 0.000 0.295 6 H C -0.596 174.364 175.328 -0.613 0.000 1.051 6 H CA -0.470 55.106 56.048 -0.785 0.000 1.260 6 H CB 1.759 30.620 29.762 -1.501 0.000 1.403 6 H HN 0.381 nan 8.280 nan 0.000 0.488 7 V N 2.574 122.379 119.914 -0.181 0.000 2.406 7 V HA 0.312 4.811 4.120 0.631 0.000 0.272 7 V C 0.960 177.092 176.094 0.063 0.000 1.043 7 V CA -0.962 61.287 62.300 -0.085 0.000 0.915 7 V CB 0.911 32.719 31.823 -0.025 0.000 0.988 7 V HN 0.867 nan 8.190 nan 0.000 0.466 8 A N 4.194 126.966 122.820 -0.079 0.000 2.546 8 A HA 0.399 5.098 4.320 0.631 0.000 0.243 8 A C 0.555 178.170 177.584 0.052 0.000 1.063 8 A CA 0.388 52.409 52.037 -0.026 0.000 0.757 8 A CB 0.219 19.051 19.000 -0.280 0.000 0.991 8 A HN 0.883 nan 8.150 nan 0.000 0.503 9 S N 2.605 118.352 115.700 0.079 0.000 2.707 9 S HA 0.438 5.287 4.470 0.631 0.000 0.312 9 S C -0.449 174.217 174.600 0.110 0.000 1.116 9 S CA -0.627 57.626 58.200 0.089 0.000 1.078 9 S CB 0.457 63.712 63.200 0.093 0.000 0.997 9 S HN 0.757 nan 8.310 nan 0.000 0.477 10 V N 5.029 125.023 119.914 0.132 0.000 2.617 10 V HA 0.053 4.552 4.120 0.631 0.000 0.304 10 V C 0.542 176.766 176.094 0.218 0.000 1.040 10 V CA 0.026 62.446 62.300 0.201 0.000 1.149 10 V CB -0.112 31.833 31.823 0.205 0.000 0.914 10 V HN 0.825 nan 8.190 nan 0.000 0.487 11 E N 3.479 123.869 120.200 0.317 0.000 2.529 11 E HA 0.001 4.730 4.350 0.631 0.000 0.259 11 E C 0.295 176.983 176.600 0.147 0.000 0.966 11 E CA 0.215 56.780 56.400 0.275 0.000 0.937 11 E CB 0.176 30.151 29.700 0.459 0.000 0.923 11 E HN 0.542 nan 8.360 nan 0.000 0.468 12 K N 1.979 122.432 120.400 0.088 0.000 2.453 12 K HA 0.049 4.747 4.320 0.631 0.000 0.280 12 K C 0.888 177.471 176.600 -0.029 0.000 1.045 12 K CA 0.948 57.258 56.287 0.039 0.000 1.059 12 K CB -0.127 32.390 32.500 0.030 0.000 0.901 12 K HN 0.705 nan 8.250 nan 0.000 0.475 13 G N 3.388 112.182 108.800 -0.010 0.000 2.184 13 G HA2 -0.252 4.087 3.960 0.631 0.000 0.264 13 G HA3 -0.252 4.087 3.960 0.631 0.000 0.264 13 G C -0.079 174.771 174.900 -0.084 0.000 0.975 13 G CA 0.013 45.087 45.100 -0.044 0.000 0.642 13 G HN 0.573 nan 8.290 nan 0.000 0.536 14 R N 0.599 121.051 120.500 -0.081 0.000 2.500 14 R HA 0.728 5.447 4.340 0.631 0.000 0.275 14 R C 0.631 176.993 176.300 0.103 0.000 1.051 14 R CA 0.507 56.502 56.100 -0.175 0.000 1.088 14 R CB 1.397 31.474 30.300 -0.371 0.000 1.063 14 R HN 0.758 nan 8.270 nan 0.000 0.511 15 S N -0.103 115.638 115.700 0.068 0.000 2.840 15 S HA 0.157 5.006 4.470 0.631 0.000 0.307 15 S C 0.733 175.425 174.600 0.154 0.000 1.180 15 S CA -0.780 57.558 58.200 0.230 0.000 0.846 15 S CB 0.432 63.718 63.200 0.142 0.000 1.233 15 S HN 0.643 nan 8.310 nan 0.000 0.548 16 Y N 1.414 121.602 120.300 -0.187 0.000 2.139 16 Y HA -0.146 4.782 4.550 0.631 0.000 0.282 16 Y C 2.837 178.672 175.900 -0.108 0.000 1.179 16 Y CA 3.294 61.091 58.100 -0.505 0.000 1.161 16 Y CB -1.094 37.157 38.460 -0.348 0.000 0.970 16 Y HN 0.908 nan 8.280 nan 0.000 0.511 17 E N 0.291 120.472 120.200 -0.032 0.000 2.110 17 E HA -0.210 4.519 4.350 0.631 0.000 0.193 17 E C 1.773 178.272 176.600 -0.169 0.000 0.988 17 E CA 1.600 57.934 56.400 -0.110 0.000 0.804 17 E CB -0.887 28.809 29.700 -0.006 0.000 0.745 17 E HN 0.730 nan 8.360 nan 0.000 0.458 18 D N -0.747 119.530 120.400 -0.206 0.000 2.117 18 D HA -0.080 4.939 4.640 0.631 0.000 0.197 18 D C 1.791 177.929 176.300 -0.270 0.000 0.987 18 D CA 1.318 55.139 54.000 -0.298 0.000 0.829 18 D CB -0.214 40.180 40.800 -0.676 0.000 0.961 18 D HN 0.518 nan 8.370 nan 0.000 0.460 19 F N 0.894 120.808 119.950 -0.059 0.000 2.259 19 F HA -0.071 4.835 4.527 0.632 0.000 0.298 19 F C 2.645 178.110 175.800 -0.559 0.000 1.088 19 F CA 0.446 58.352 58.000 -0.156 0.000 1.358 19 F CB -0.410 38.673 39.000 0.139 0.000 1.040 19 F HN -0.146 nan 8.300 nan 0.000 0.505 20 Q N 1.140 120.726 119.800 -0.357 0.000 2.170 20 Q HA -0.174 4.545 4.340 0.631 0.000 0.203 20 Q C 1.870 177.691 176.000 -0.299 0.000 0.976 20 Q CA 1.698 57.233 55.803 -0.446 0.000 0.858 20 Q CB -0.193 28.294 28.738 -0.420 0.000 0.907 20 Q HN 0.286 nan 8.270 nan 0.000 0.433 21 K N -0.917 119.332 120.400 -0.251 0.000 2.097 21 K HA -0.085 4.614 4.320 0.631 0.000 0.205 21 K C 1.963 178.316 176.600 -0.413 0.000 1.050 21 K CA 1.398 57.570 56.287 -0.192 0.000 0.938 21 K CB -0.028 32.441 32.500 -0.052 0.000 0.718 21 K HN 0.082 nan 8.250 nan 0.000 0.442 22 V N 0.693 120.185 119.914 -0.704 0.000 2.307 22 V HA -0.271 4.228 4.120 0.631 0.000 0.245 22 V C 2.033 177.814 176.094 -0.521 0.000 1.045 22 V CA 1.659 63.393 62.300 -0.944 0.000 1.024 22 V CB -0.647 30.634 31.823 -0.904 0.000 0.651 22 V HN 0.256 nan 8.190 nan 0.000 0.449 23 Y N 1.838 121.757 120.300 -0.635 0.000 2.040 23 Y HA -0.357 4.571 4.550 0.631 0.000 0.275 23 Y C 2.415 178.130 175.900 -0.309 0.000 1.171 23 Y CA 2.403 60.177 58.100 -0.544 0.000 1.123 23 Y CB -0.720 37.275 38.460 -0.775 0.000 0.963 23 Y HN 0.338 nan 8.280 nan 0.000 0.493 24 N N -0.312 118.385 118.700 -0.005 0.000 2.104 24 N HA -0.219 4.900 4.740 0.631 0.000 0.190 24 N C 1.958 177.437 175.510 -0.052 0.000 1.024 24 N CA 0.797 53.864 53.050 0.028 0.000 0.853 24 N CB -0.354 38.156 38.487 0.038 0.000 1.008 24 N HN 0.506 nan 8.380 nan 0.000 0.424 25 A N 1.346 124.123 122.820 -0.072 0.000 1.902 25 A HA -0.100 4.599 4.320 0.631 0.000 0.217 25 A C 2.118 179.649 177.584 -0.087 0.000 1.181 25 A CA 0.986 53.010 52.037 -0.022 0.000 0.623 25 A CB -0.565 18.519 19.000 0.141 0.000 0.818 25 A HN 0.181 nan 8.150 nan 0.000 0.443 26 I N -0.238 120.243 120.570 -0.149 0.000 2.179 26 I HA -0.279 4.270 4.170 0.631 0.000 0.242 26 I C 2.965 179.052 176.117 -0.050 0.000 1.088 26 I CA 1.101 62.350 61.300 -0.085 0.000 1.357 26 I CB -0.346 37.554 38.000 -0.166 0.000 1.051 26 I HN 0.351 nan 8.210 nan 0.000 0.409 27 A N 0.825 123.526 122.820 -0.200 0.000 1.902 27 A HA -0.139 4.559 4.320 0.631 0.000 0.217 27 A C 2.294 179.866 177.584 -0.019 0.000 1.181 27 A CA 1.377 53.323 52.037 -0.151 0.000 0.623 27 A CB -0.803 18.068 19.000 -0.215 0.000 0.818 27 A HN 0.376 nan 8.150 nan 0.000 0.443 28 L N -0.836 120.379 121.223 -0.013 0.000 2.093 28 L HA -0.153 4.566 4.340 0.631 0.000 0.208 28 L C 2.604 179.489 176.870 0.024 0.000 1.085 28 L CA 1.764 56.611 54.840 0.012 0.000 0.755 28 L CB -0.322 41.738 42.059 0.001 0.000 0.904 28 L HN 0.416 nan 8.230 nan 0.000 0.435 29 K N 0.456 120.860 120.400 0.007 0.000 2.097 29 K HA -0.141 4.558 4.320 0.631 0.000 0.205 29 K C 2.147 178.893 176.600 0.242 0.000 1.050 29 K CA 0.997 57.281 56.287 -0.005 0.000 0.938 29 K CB 0.011 32.307 32.500 -0.339 0.000 0.718 29 K HN 0.229 nan 8.250 nan 0.000 0.442 30 L N 0.513 121.933 121.223 0.327 0.000 2.046 30 L HA -0.180 4.539 4.340 0.631 0.000 0.208 30 L C 2.788 179.762 176.870 0.174 0.000 1.077 30 L CA 1.275 56.266 54.840 0.252 0.000 0.747 30 L CB -0.377 41.732 42.059 0.082 0.000 0.896 30 L HN 0.247 nan 8.230 nan 0.000 0.432 31 R N -0.087 120.485 120.500 0.120 0.000 2.075 31 R HA -0.189 4.529 4.340 0.631 0.000 0.232 31 R C 2.383 178.749 176.300 0.111 0.000 1.126 31 R CA 1.766 57.926 56.100 0.101 0.000 0.963 31 R CB -0.101 30.243 30.300 0.072 0.000 0.858 31 R HN 0.226 nan 8.270 nan 0.000 0.435 32 E N 0.630 120.892 120.200 0.103 0.000 2.072 32 E HA -0.110 4.619 4.350 0.631 0.000 0.190 32 E C -0.034 176.639 176.600 0.122 0.000 0.982 32 E CA 1.338 57.791 56.400 0.088 0.000 0.803 32 E CB -0.196 29.531 29.700 0.044 0.000 0.755 32 E HN 0.404 nan 8.360 nan 0.000 0.453 33 D N 1.677 122.188 120.400 0.184 0.000 3.057 33 D HA 0.074 5.093 4.640 0.631 0.000 0.246 33 D C 0.503 176.959 176.300 0.260 0.000 1.238 33 D CA 0.413 54.564 54.000 0.252 0.000 0.949 33 D CB 0.163 41.193 40.800 0.383 0.000 1.086 33 D HN 0.516 nan 8.370 nan 0.000 0.487 34 D N -0.411 120.086 120.400 0.161 0.000 2.269 34 D HA -0.167 4.852 4.640 0.631 0.000 0.208 34 D C 1.136 177.415 176.300 -0.035 0.000 0.963 34 D CA 0.694 54.774 54.000 0.133 0.000 0.864 34 D CB 0.091 41.002 40.800 0.185 0.000 0.936 34 D HN 0.304 nan 8.370 nan 0.000 0.505 35 E N -0.710 119.368 120.200 -0.205 0.000 2.285 35 E HA -0.111 4.618 4.350 0.631 0.000 0.194 35 E C 0.128 176.421 176.600 -0.511 0.000 0.997 35 E CA -0.176 55.769 56.400 -0.757 0.000 0.845 35 E CB -0.178 29.246 29.700 -0.460 0.000 0.782 35 E HN 0.357 nan 8.360 nan 0.000 0.491 36 Y N 2.409 122.512 120.300 -0.328 0.000 2.811 36 Y HA -0.150 4.777 4.550 0.629 0.000 0.334 36 Y C 0.302 176.012 175.900 -0.316 0.000 1.247 36 Y CA 0.367 58.246 58.100 -0.368 0.000 1.526 36 Y CB 0.237 38.244 38.460 -0.755 0.000 1.284 36 Y HN -0.016 nan 8.280 nan 0.000 0.586 37 D N 4.425 124.246 120.400 -0.964 0.000 2.746 37 D HA -0.298 4.721 4.640 0.631 0.000 0.241 37 D C -0.330 175.787 176.300 -0.306 0.000 1.140 37 D CA 1.533 55.093 54.000 -0.733 0.000 0.707 37 D CB -1.626 38.621 40.800 -0.922 0.000 1.034 37 D HN 0.908 nan 8.370 nan 0.000 0.423 38 N N -0.125 118.450 118.700 -0.208 0.000 2.714 38 N HA -0.299 4.820 4.740 0.631 0.000 0.252 38 N C -0.143 175.449 175.510 0.137 0.000 1.014 38 N CA 0.938 53.988 53.050 0.000 0.000 0.735 38 N CB -1.230 37.276 38.487 0.032 0.000 0.924 38 N HN 0.567 nan 8.380 nan 0.000 0.540 39 Y N -4.181 116.089 120.300 -0.049 0.000 4.729 39 Y HA -0.324 4.605 4.550 0.632 0.000 0.239 39 Y C 1.377 177.274 175.900 -0.006 0.000 1.043 39 Y CA 0.750 58.846 58.100 -0.007 0.000 2.045 39 Y CB -1.970 36.494 38.460 0.006 0.000 1.599 39 Y HN 0.432 nan 8.280 nan 0.000 0.655 40 I N -0.173 120.421 120.570 0.041 0.000 2.315 40 I HA -0.007 4.542 4.170 0.631 0.000 0.248 40 I C 1.797 177.945 176.117 0.051 0.000 1.117 40 I CA 1.301 62.620 61.300 0.032 0.000 1.404 40 I CB -0.527 37.465 38.000 -0.013 0.000 1.071 40 I HN 0.542 nan 8.210 nan 0.000 0.419 41 G N -0.232 108.595 108.800 0.045 0.000 2.796 41 G HA2 -0.302 4.037 3.960 0.631 0.000 0.571 41 G HA3 -0.302 4.037 3.960 0.631 0.000 0.571 41 G C -0.212 174.747 174.900 0.098 0.000 1.370 41 G CA -0.225 44.933 45.100 0.098 0.000 0.856 41 G HN 0.173 nan 8.290 nan 0.000 0.538 42 Y N 1.605 121.891 120.300 -0.023 0.000 2.490 42 Y HA 0.255 5.182 4.550 0.629 0.000 0.281 42 Y C 2.724 178.459 175.900 -0.275 0.000 1.174 42 Y CA 1.375 59.304 58.100 -0.285 0.000 1.295 42 Y CB 0.183 38.145 38.460 -0.830 0.000 1.062 42 Y HN 0.785 nan 8.280 nan 0.000 0.522 43 G N 1.484 110.261 108.800 -0.038 0.000 2.480 43 G HA2 -0.240 4.099 3.960 0.631 0.000 0.216 43 G HA3 -0.240 4.099 3.960 0.631 0.000 0.216 43 G C -0.597 174.300 174.900 -0.006 0.000 1.200 43 G CA 0.883 45.956 45.100 -0.046 0.000 0.782 43 G HN 0.265 nan 8.290 nan 0.000 0.554 44 P HA -0.057 nan 4.420 nan 0.000 0.215 44 P C 2.146 179.486 177.300 0.067 0.000 1.153 44 P CA 0.764 63.896 63.100 0.053 0.000 0.853 44 P CB -0.143 31.590 31.700 0.055 0.000 0.788 45 V N -0.627 119.329 119.914 0.071 0.000 2.515 45 V HA -0.186 4.313 4.120 0.631 0.000 0.250 45 V C 2.039 178.143 176.094 0.017 0.000 1.058 45 V CA 1.570 63.906 62.300 0.060 0.000 1.064 45 V CB -1.028 30.850 31.823 0.091 0.000 0.675 45 V HN 0.012 nan 8.190 nan 0.000 0.461 46 L N -0.975 120.238 121.223 -0.017 0.000 2.156 46 L HA -0.085 4.634 4.340 0.631 0.000 0.208 46 L C 2.451 179.371 176.870 0.084 0.000 1.095 46 L CA 1.079 55.910 54.840 -0.015 0.000 0.770 46 L CB -0.525 41.473 42.059 -0.102 0.000 0.914 46 L HN 0.230 nan 8.230 nan 0.000 0.439 47 V N -0.037 119.947 119.914 0.115 0.000 2.343 47 V HA -0.284 4.215 4.120 0.631 0.000 0.247 47 V C 2.658 178.937 176.094 0.309 0.000 1.051 47 V CA 1.821 64.261 62.300 0.233 0.000 1.036 47 V CB -0.675 31.236 31.823 0.147 0.000 0.654 47 V HN 0.467 nan 8.190 nan 0.000 0.451 48 R N -0.222 120.402 120.500 0.206 0.000 2.096 48 R HA -0.178 4.541 4.340 0.631 0.000 0.235 48 R C 2.296 178.624 176.300 0.046 0.000 1.127 48 R CA 1.726 57.947 56.100 0.203 0.000 0.968 48 R CB -0.344 29.986 30.300 0.050 0.000 0.861 48 R HN 0.444 nan 8.270 nan 0.000 0.440 49 L N 0.844 122.048 121.223 -0.031 0.000 2.017 49 L HA -0.080 4.639 4.340 0.631 0.000 0.208 49 L C 2.302 179.135 176.870 -0.062 0.000 1.073 49 L CA 2.234 56.970 54.840 -0.174 0.000 0.745 49 L CB -0.795 41.133 42.059 -0.218 0.000 0.894 49 L HN 0.235 nan 8.230 nan 0.000 0.432 50 A N -0.400 122.493 122.820 0.123 0.000 1.940 50 A HA -0.279 4.420 4.320 0.631 0.000 0.219 50 A C 2.278 180.012 177.584 0.251 0.000 1.176 50 A CA 1.822 53.975 52.037 0.194 0.000 0.631 50 A CB -1.429 17.744 19.000 0.290 0.000 0.814 50 A HN 0.837 nan 8.150 nan 0.000 0.446 51 W N -0.035 121.390 121.300 0.209 0.000 2.379 51 W HA -0.186 4.859 4.660 0.642 0.000 0.307 51 W C 1.823 178.517 176.519 0.291 0.000 1.200 51 W CA 1.672 59.179 57.345 0.270 0.000 1.297 51 W CB -0.693 28.994 29.460 0.377 0.000 1.140 51 W HN 0.575 nan 8.180 nan 0.000 0.507 52 H N 1.052 119.893 119.070 -0.382 0.000 2.423 52 H HA -0.144 4.827 4.556 0.692 0.000 0.297 52 H C 2.201 177.354 175.328 -0.292 0.000 1.075 52 H CA 1.759 57.467 56.048 -0.567 0.000 1.342 52 H CB 0.092 29.601 29.762 -0.422 0.000 1.395 52 H HN 0.303 nan 8.280 nan 0.000 0.530 53 I N -1.701 118.828 120.570 -0.069 0.000 2.761 53 I HA -0.031 4.518 4.170 0.631 0.000 0.261 53 I C 1.872 178.029 176.117 0.067 0.000 1.198 53 I CA 0.928 62.221 61.300 -0.012 0.000 1.482 53 I CB 0.144 38.119 38.000 -0.042 0.000 1.100 53 I HN -0.099 nan 8.210 nan 0.000 0.445 54 S N 1.124 116.869 115.700 0.076 0.000 2.456 54 S HA 0.206 5.055 4.470 0.631 0.000 0.224 54 S C 1.930 176.627 174.600 0.163 0.000 1.035 54 S CA 0.657 58.931 58.200 0.123 0.000 0.940 54 S CB -0.239 63.043 63.200 0.136 0.000 0.799 54 S HN 0.670 nan 8.310 nan 0.000 0.508 55 G N 1.845 110.669 108.800 0.041 0.000 2.848 55 G HA2 -0.049 4.290 3.960 0.631 0.000 0.208 55 G HA3 -0.049 4.290 3.960 0.631 0.000 0.208 55 G C 1.280 176.184 174.900 0.006 0.000 1.152 55 G CA 1.060 46.162 45.100 0.004 0.000 0.789 55 G HN 0.591 nan 8.290 nan 0.000 0.531 56 T N -3.483 111.090 114.554 0.030 0.000 3.118 56 T HA -0.027 4.701 4.350 0.631 0.000 0.260 56 T C 0.902 175.694 174.700 0.153 0.000 1.139 56 T CA -0.588 61.551 62.100 0.066 0.000 1.085 56 T CB -0.092 68.819 68.868 0.073 0.000 0.934 56 T HN 0.215 nan 8.240 nan 0.000 0.518 57 W N 2.889 124.199 121.300 0.017 0.000 2.170 57 W HA 0.399 5.428 4.660 0.615 0.000 0.342 57 W C -0.548 175.965 176.519 -0.010 0.000 1.294 57 W CA -0.484 56.876 57.345 0.025 0.000 1.246 57 W CB 0.378 29.864 29.460 0.043 0.000 1.156 57 W HN 0.002 nan 8.180 nan 0.000 0.572 58 D N 4.763 124.759 120.400 -0.672 0.000 2.471 58 D HA 0.079 5.098 4.640 0.631 0.000 0.245 58 D C 0.957 176.489 176.300 -1.280 0.000 1.116 58 D CA -0.401 53.160 54.000 -0.732 0.000 0.853 58 D CB 1.319 41.935 40.800 -0.306 0.000 1.123 58 D HN 0.588 nan 8.370 nan 0.000 0.540 59 K N 2.547 122.038 120.400 -1.516 0.000 2.280 59 K HA -0.172 4.527 4.320 0.631 0.000 0.202 59 K C 0.689 176.867 176.600 -0.703 0.000 1.047 59 K CA 1.181 56.634 56.287 -1.390 0.000 0.942 59 K CB -0.165 31.774 32.500 -0.936 0.000 0.739 59 K HN 0.418 nan 8.250 nan 0.000 0.457 60 H N 1.300 120.120 119.070 -0.416 0.000 2.428 60 H HA -0.051 4.875 4.556 0.617 0.000 0.296 60 H C 0.736 175.949 175.328 -0.191 0.000 1.062 60 H CA 1.585 57.490 56.048 -0.238 0.000 1.350 60 H CB 0.159 29.804 29.762 -0.195 0.000 1.403 60 H HN 0.665 nan 8.280 nan 0.000 0.533 61 D N -2.461 117.868 120.400 -0.120 0.000 2.516 61 D HA 0.017 5.036 4.640 0.631 0.000 0.241 61 D C 0.058 176.301 176.300 -0.096 0.000 1.246 61 D CA -0.215 53.733 54.000 -0.086 0.000 0.808 61 D CB -0.477 40.289 40.800 -0.057 0.000 1.147 61 D HN 0.058 nan 8.370 nan 0.000 0.527 62 N N 0.639 119.250 118.700 -0.147 0.000 2.747 62 N HA -0.175 4.944 4.740 0.631 0.000 0.249 62 N C -0.655 174.905 175.510 0.083 0.000 1.107 62 N CA 1.297 54.363 53.050 0.026 0.000 0.707 62 N CB -1.742 36.776 38.487 0.052 0.000 1.054 62 N HN 0.622 nan 8.380 nan 0.000 0.555 63 T N -3.202 111.353 114.554 0.003 0.000 2.874 63 T HA 0.656 5.385 4.350 0.631 0.000 0.281 63 T C 1.340 176.147 174.700 0.179 0.000 0.994 63 T CA 0.250 62.406 62.100 0.093 0.000 1.015 63 T CB 1.512 70.399 68.868 0.031 0.000 1.028 63 T HN 1.052 nan 8.240 nan 0.000 0.523 64 G N 0.273 109.203 108.800 0.217 0.000 2.601 64 G HA2 0.315 4.654 3.960 0.631 0.000 0.261 64 G HA3 0.315 4.654 3.960 0.631 0.000 0.261 64 G C 0.413 175.536 174.900 0.371 0.000 1.289 64 G CA 0.111 45.361 45.100 0.249 0.000 0.920 64 G HN 2.790 nan 8.290 nan 0.000 0.571 65 G N -3.004 106.006 108.800 0.351 0.000 2.699 65 G HA2 0.319 4.657 3.960 0.631 0.000 0.686 65 G HA3 0.319 4.657 3.960 0.631 0.000 0.686 65 G C 1.117 176.133 174.900 0.193 0.000 1.301 65 G CA 1.059 46.326 45.100 0.278 0.000 0.816 65 G HN 2.461 nan 8.290 nan 0.000 0.595 66 S N -0.795 114.982 115.700 0.128 0.000 2.447 66 S HA -0.118 4.731 4.470 0.631 0.000 0.233 66 S C 1.892 176.587 174.600 0.159 0.000 1.006 66 S CA 1.856 60.146 58.200 0.150 0.000 0.957 66 S CB -0.307 62.963 63.200 0.115 0.000 0.773 66 S HN 1.386 nan 8.310 nan 0.000 0.507 67 Y N 2.811 123.103 120.300 -0.014 0.000 2.114 67 Y HA -0.028 4.898 4.550 0.627 0.000 0.282 67 Y C 2.365 178.218 175.900 -0.079 0.000 1.165 67 Y CA 1.655 59.697 58.100 -0.097 0.000 1.148 67 Y CB -0.900 37.414 38.460 -0.243 0.000 0.972 67 Y HN 0.357 nan 8.280 nan 0.000 0.504 68 G N -1.486 107.367 108.800 0.090 0.000 2.813 68 G HA2 0.201 4.540 3.960 0.631 0.000 0.209 68 G HA3 0.201 4.540 3.960 0.631 0.000 0.209 68 G C 1.210 176.178 174.900 0.113 0.000 1.150 68 G CA 0.292 45.429 45.100 0.062 0.000 0.785 68 G HN 0.916 nan 8.290 nan 0.000 0.535 69 G N 0.374 109.275 108.800 0.168 0.000 2.221 69 G HA2 -0.311 4.028 3.960 0.631 0.000 0.265 69 G HA3 -0.311 4.028 3.960 0.631 0.000 0.265 69 G C 1.154 176.256 174.900 0.336 0.000 1.041 69 G CA 1.399 46.663 45.100 0.274 0.000 0.807 69 G HN 1.096 nan 8.290 nan 0.000 0.502 70 T N -3.385 111.369 114.554 0.333 0.000 3.118 70 T HA -0.034 4.695 4.350 0.631 0.000 0.260 70 T C 1.775 176.667 174.700 0.320 0.000 1.139 70 T CA 1.316 63.650 62.100 0.390 0.000 1.085 70 T CB -0.123 68.979 68.868 0.390 0.000 0.934 70 T HN 0.667 nan 8.240 nan 0.000 0.518 71 Y N 3.453 123.850 120.300 0.162 0.000 2.384 71 Y HA -0.181 4.743 4.550 0.624 0.000 0.289 71 Y C 2.440 178.369 175.900 0.048 0.000 1.152 71 Y CA 1.398 59.521 58.100 0.039 0.000 1.258 71 Y CB -0.312 38.004 38.460 -0.241 0.000 0.979 71 Y HN 0.300 nan 8.280 nan 0.000 0.549 72 R N -1.005 119.525 120.500 0.049 0.000 2.328 72 R HA -0.064 4.655 4.340 0.631 0.000 0.207 72 R C -0.569 175.416 176.300 -0.525 0.000 1.056 72 R CA 0.375 56.333 56.100 -0.238 0.000 1.016 72 R CB -0.754 29.434 30.300 -0.187 0.000 0.872 72 R HN 0.191 nan 8.270 nan 0.000 0.471 73 F N 0.819 120.710 119.950 -0.099 0.000 2.397 73 F HA 0.357 5.259 4.527 0.626 0.000 0.331 73 F C 1.807 177.519 175.800 -0.147 0.000 1.090 73 F CA -0.278 57.654 58.000 -0.114 0.000 1.065 73 F CB 1.394 40.375 39.000 -0.032 0.000 1.184 73 F HN -0.064 nan 8.300 nan 0.000 0.499 74 K N 2.273 122.712 120.400 0.064 0.000 2.059 74 K HA -0.244 4.455 4.320 0.631 0.000 0.212 74 K C 1.906 178.536 176.600 0.050 0.000 1.050 74 K CA 2.365 58.650 56.287 -0.003 0.000 0.927 74 K CB -1.015 31.480 32.500 -0.008 0.000 0.714 74 K HN 0.744 nan 8.250 nan 0.000 0.447 75 K N 0.036 120.474 120.400 0.064 0.000 2.057 75 K HA -0.198 4.501 4.320 0.631 0.000 0.207 75 K C 2.326 178.957 176.600 0.052 0.000 1.049 75 K CA 1.945 58.261 56.287 0.049 0.000 0.931 75 K CB -0.078 32.444 32.500 0.037 0.000 0.714 75 K HN 0.640 nan 8.250 nan 0.000 0.440 76 E N -0.631 119.610 120.200 0.068 0.000 2.086 76 E HA -0.131 4.598 4.350 0.631 0.000 0.190 76 E C 1.804 178.395 176.600 -0.015 0.000 0.975 76 E CA 0.412 56.848 56.400 0.060 0.000 0.813 76 E CB -0.152 29.620 29.700 0.120 0.000 0.768 76 E HN 0.330 nan 8.360 nan 0.000 0.457 77 F N 1.791 121.519 119.950 -0.369 0.000 2.202 77 F HA -0.146 4.761 4.527 0.633 0.000 0.301 77 F C 1.361 177.020 175.800 -0.234 0.000 1.082 77 F CA 1.747 59.386 58.000 -0.600 0.000 1.313 77 F CB 0.027 38.609 39.000 -0.696 0.000 1.024 77 F HN 0.036 nan 8.300 nan 0.000 0.495 78 N N -0.536 118.182 118.700 0.029 0.000 2.270 78 N HA -0.053 5.066 4.740 0.631 0.000 0.198 78 N C -0.375 175.138 175.510 0.004 0.000 1.117 78 N CA -0.180 52.882 53.050 0.020 0.000 0.845 78 N CB -0.080 38.444 38.487 0.061 0.000 0.980 78 N HN 0.086 nan 8.380 nan 0.000 0.486 79 D N 1.639 122.044 120.400 0.007 0.000 2.531 79 D HA -0.027 4.992 4.640 0.631 0.000 0.239 79 D C -1.502 174.808 176.300 0.017 0.000 1.144 79 D CA -1.535 52.475 54.000 0.018 0.000 0.869 79 D CB 1.090 41.906 40.800 0.026 0.000 1.160 79 D HN 0.060 nan 8.370 nan 0.000 0.484 80 P HA -0.115 nan 4.420 nan 0.000 0.217 80 P C 1.167 178.494 177.300 0.045 0.000 1.148 80 P CA 0.979 64.095 63.100 0.026 0.000 0.828 80 P CB 0.223 31.938 31.700 0.025 0.000 0.783 81 S N -1.006 114.721 115.700 0.046 0.000 2.469 81 S HA -0.072 4.777 4.470 0.631 0.000 0.238 81 S C 1.325 176.025 174.600 0.166 0.000 0.998 81 S CA 0.938 59.183 58.200 0.074 0.000 0.957 81 S CB -0.709 62.476 63.200 -0.026 0.000 0.764 81 S HN 0.235 nan 8.310 nan 0.000 0.514 82 N N 1.234 120.007 118.700 0.121 0.000 2.235 82 N HA 0.296 5.415 4.740 0.631 0.000 0.209 82 N C -0.002 175.524 175.510 0.026 0.000 1.122 82 N CA -0.032 53.102 53.050 0.140 0.000 0.845 82 N CB 0.194 38.774 38.487 0.155 0.000 1.004 82 N HN 0.292 nan 8.380 nan 0.000 0.499 83 A N -0.102 122.731 122.820 0.022 0.000 2.546 83 A HA 0.448 5.147 4.320 0.631 0.000 0.243 83 A C 1.484 179.054 177.584 -0.022 0.000 1.063 83 A CA 0.868 52.896 52.037 -0.014 0.000 0.757 83 A CB -0.293 18.713 19.000 0.010 0.000 0.991 83 A HN 0.442 nan 8.150 nan 0.000 0.503 84 G N 1.155 109.922 108.800 -0.054 0.000 2.258 84 G HA2 -0.254 4.085 3.960 0.631 0.000 0.233 84 G HA3 -0.254 4.085 3.960 0.631 0.000 0.233 84 G C 0.847 175.722 174.900 -0.043 0.000 1.006 84 G CA 0.359 45.423 45.100 -0.059 0.000 0.620 84 G HN 0.781 nan 8.290 nan 0.000 0.511 85 L N 0.762 121.944 121.223 -0.067 0.000 2.465 85 L HA 0.009 4.728 4.340 0.631 0.000 0.224 85 L C 2.846 179.714 176.870 -0.003 0.000 1.145 85 L CA 1.494 56.293 54.840 -0.068 0.000 0.834 85 L CB -0.306 41.666 42.059 -0.144 0.000 0.944 85 L HN 0.315 nan 8.230 nan 0.000 0.451 86 Q N -0.085 119.665 119.800 -0.084 0.000 2.234 86 Q HA -0.185 4.534 4.340 0.631 0.000 0.206 86 Q C 1.922 178.047 176.000 0.208 0.000 0.980 86 Q CA 1.283 57.080 55.803 -0.009 0.000 0.869 86 Q CB -0.273 28.408 28.738 -0.095 0.000 0.912 86 Q HN 0.470 nan 8.270 nan 0.000 0.436 87 N N -0.258 118.533 118.700 0.152 0.000 2.166 87 N HA -0.103 5.015 4.740 0.631 0.000 0.186 87 N C 1.785 177.420 175.510 0.207 0.000 1.019 87 N CA 1.465 54.634 53.050 0.198 0.000 0.856 87 N CB -0.394 38.202 38.487 0.181 0.000 0.993 87 N HN 0.419 nan 8.380 nan 0.000 0.426 88 G N 0.291 109.185 108.800 0.157 0.000 2.402 88 G HA2 -0.216 4.122 3.960 0.631 0.000 0.216 88 G HA3 -0.216 4.122 3.960 0.631 0.000 0.216 88 G C 1.391 176.426 174.900 0.225 0.000 1.162 88 G CA 0.052 45.227 45.100 0.125 0.000 0.777 88 G HN 0.248 nan 8.290 nan 0.000 0.539 89 F N 2.076 122.125 119.950 0.165 0.000 2.095 89 F HA -0.111 4.795 4.527 0.632 0.000 0.298 89 F C 2.936 178.873 175.800 0.229 0.000 1.104 89 F CA 2.128 60.310 58.000 0.303 0.000 1.232 89 F CB -0.089 39.235 39.000 0.539 0.000 0.987 89 F HN 0.055 nan 8.300 nan 0.000 0.475 90 K N -0.030 120.576 120.400 0.344 0.000 2.057 90 K HA -0.211 4.488 4.320 0.631 0.000 0.207 90 K C 1.855 178.433 176.600 -0.038 0.000 1.049 90 K CA 1.443 57.822 56.287 0.153 0.000 0.931 90 K CB -1.538 31.077 32.500 0.192 0.000 0.714 90 K HN 0.548 nan 8.250 nan 0.000 0.440 91 F N 1.279 121.083 119.950 -0.244 0.000 2.095 91 F HA -0.099 4.807 4.527 0.632 0.000 0.298 91 F C 1.794 177.414 175.800 -0.301 0.000 1.104 91 F CA 1.592 59.317 58.000 -0.458 0.000 1.232 91 F CB -0.206 38.342 39.000 -0.754 0.000 0.987 91 F HN -0.033 nan 8.300 nan 0.000 0.475 92 L N -0.133 121.065 121.223 -0.042 0.000 2.478 92 L HA -0.093 4.625 4.340 0.631 0.000 0.223 92 L C 2.235 178.959 176.870 -0.244 0.000 1.140 92 L CA 0.687 55.455 54.840 -0.120 0.000 0.842 92 L CB -0.792 41.267 42.059 0.001 0.000 0.953 92 L HN 0.024 nan 8.230 nan 0.000 0.452 93 E N 0.243 120.267 120.200 -0.294 0.000 2.049 93 E HA -0.184 4.545 4.350 0.631 0.000 0.198 93 E C -0.411 176.088 176.600 -0.169 0.000 1.007 93 E CA 1.506 57.757 56.400 -0.248 0.000 0.809 93 E CB -1.799 27.783 29.700 -0.196 0.000 0.749 93 E HN 0.588 nan 8.360 nan 0.000 0.450 94 P HA -0.021 nan 4.420 nan 0.000 0.220 94 P C 1.385 178.569 177.300 -0.193 0.000 1.148 94 P CA 0.964 63.939 63.100 -0.208 0.000 0.803 94 P CB -0.180 31.372 31.700 -0.247 0.000 0.782 95 I N -0.314 120.146 120.570 -0.184 0.000 2.252 95 I HA -0.197 4.352 4.170 0.631 0.000 0.245 95 I C 2.538 178.641 176.117 -0.024 0.000 1.102 95 I CA 1.568 62.827 61.300 -0.069 0.000 1.385 95 I CB -2.025 35.915 38.000 -0.101 0.000 1.064 95 I HN 0.082 nan 8.210 nan 0.000 0.414 96 H N 2.133 121.084 119.070 -0.198 0.000 2.387 96 H HA -0.162 4.774 4.556 0.634 0.000 0.299 96 H C 2.153 177.360 175.328 -0.202 0.000 1.099 96 H CA 2.971 58.886 56.048 -0.222 0.000 1.315 96 H CB -0.040 29.567 29.762 -0.258 0.000 1.380 96 H HN 0.270 nan 8.280 nan 0.000 0.513 97 K N 0.999 121.225 120.400 -0.290 0.000 2.057 97 K HA -0.071 4.627 4.320 0.631 0.000 0.206 97 K C 2.259 178.653 176.600 -0.345 0.000 1.050 97 K CA 1.488 57.569 56.287 -0.343 0.000 0.935 97 K CB -0.740 31.623 32.500 -0.228 0.000 0.715 97 K HN 0.706 nan 8.250 nan 0.000 0.439 98 E N -1.541 118.437 120.200 -0.370 0.000 2.106 98 E HA -0.029 4.699 4.350 0.631 0.000 0.192 98 E C -0.452 175.658 176.600 -0.817 0.000 0.984 98 E CA 0.659 56.694 56.400 -0.609 0.000 0.806 98 E CB 0.054 29.290 29.700 -0.774 0.000 0.750 98 E HN 0.583 nan 8.360 nan 0.000 0.458 99 F N 0.460 120.204 119.950 -0.343 0.000 2.471 99 F HA 0.300 5.206 4.527 0.632 0.000 0.318 99 F C -1.919 173.445 175.800 -0.727 0.000 1.308 99 F CA -2.119 55.528 58.000 -0.588 0.000 1.162 99 F CB 1.567 40.093 39.000 -0.790 0.000 1.383 99 F HN -0.008 nan 8.300 nan 0.000 0.552 100 P HA -0.134 nan 4.420 nan 0.000 0.230 100 P C 1.367 178.590 177.300 -0.129 0.000 1.158 100 P CA 1.081 64.002 63.100 -0.298 0.000 0.769 100 P CB -0.079 31.496 31.700 -0.208 0.000 0.807 101 W N -0.458 120.847 121.300 0.007 0.000 2.770 101 W HA 0.217 5.256 4.660 0.632 0.000 0.256 101 W C 0.659 177.213 176.519 0.058 0.000 1.291 101 W CA -0.479 56.881 57.345 0.024 0.000 1.396 101 W CB -1.123 28.342 29.460 0.008 0.000 1.114 101 W HN -0.157 nan 8.180 nan 0.000 0.637 102 I N 4.045 124.357 120.570 -0.430 0.000 2.474 102 I HA 0.049 4.598 4.170 0.631 0.000 0.287 102 I C 1.125 177.221 176.117 -0.035 0.000 1.048 102 I CA -0.165 61.006 61.300 -0.216 0.000 1.383 102 I CB 1.090 38.742 38.000 -0.580 0.000 1.412 102 I HN -0.105 nan 8.210 nan 0.000 0.531 103 S N 4.406 120.151 115.700 0.074 0.000 2.584 103 S HA 0.090 4.939 4.470 0.631 0.000 0.270 103 S C 1.026 175.546 174.600 -0.133 0.000 1.346 103 S CA -0.287 57.907 58.200 -0.008 0.000 1.018 103 S CB 1.490 64.686 63.200 -0.007 0.000 0.899 103 S HN 0.744 nan 8.310 nan 0.000 0.542 104 S N 2.008 117.574 115.700 -0.224 0.000 2.368 104 S HA 0.010 4.859 4.470 0.631 0.000 0.224 104 S C 2.124 176.417 174.600 -0.511 0.000 1.029 104 S CA 1.198 59.085 58.200 -0.522 0.000 0.988 104 S CB -1.129 61.819 63.200 -0.420 0.000 0.838 104 S HN 0.957 nan 8.310 nan 0.000 0.462 105 G N 1.500 110.219 108.800 -0.135 0.000 2.422 105 G HA2 -0.192 4.147 3.960 0.631 0.000 0.218 105 G HA3 -0.192 4.147 3.960 0.631 0.000 0.218 105 G C 1.003 175.970 174.900 0.111 0.000 1.140 105 G CA 0.864 46.001 45.100 0.062 0.000 0.775 105 G HN 0.364 nan 8.290 nan 0.000 0.545 106 D N 0.006 120.469 120.400 0.106 0.000 2.117 106 D HA -0.081 4.938 4.640 0.631 0.000 0.197 106 D C 2.350 178.801 176.300 0.252 0.000 0.987 106 D CA 0.458 54.679 54.000 0.368 0.000 0.829 106 D CB -0.238 40.844 40.800 0.470 0.000 0.961 106 D HN 0.243 nan 8.370 nan 0.000 0.460 107 L N -0.107 121.092 121.223 -0.040 0.000 2.056 107 L HA -0.087 4.632 4.340 0.631 0.000 0.207 107 L C 1.885 178.725 176.870 -0.051 0.000 1.078 107 L CA 1.469 56.214 54.840 -0.158 0.000 0.749 107 L CB -0.662 41.203 42.059 -0.323 0.000 0.901 107 L HN -0.124 nan 8.230 nan 0.000 0.433 108 F N -0.039 119.941 119.950 0.050 0.000 2.134 108 F HA -0.160 4.750 4.527 0.638 0.000 0.299 108 F C 2.889 178.732 175.800 0.072 0.000 1.097 108 F CA 1.225 59.253 58.000 0.046 0.000 1.264 108 F CB -1.669 37.364 39.000 0.055 0.000 1.001 108 F HN 0.322 nan 8.300 nan 0.000 0.479 109 S N 0.124 116.020 115.700 0.326 0.000 2.387 109 S HA -0.138 4.711 4.470 0.631 0.000 0.226 109 S C 1.987 176.716 174.600 0.214 0.000 1.026 109 S CA 0.891 59.276 58.200 0.309 0.000 0.972 109 S CB -1.024 62.422 63.200 0.410 0.000 0.814 109 S HN 0.272 nan 8.310 nan 0.000 0.477 110 L N 2.853 124.095 121.223 0.031 0.000 2.141 110 L HA 0.218 4.936 4.340 0.631 0.000 0.209 110 L C 2.374 179.124 176.870 -0.200 0.000 1.094 110 L CA 1.683 56.266 54.840 -0.429 0.000 0.763 110 L CB -1.384 40.214 42.059 -0.768 0.000 0.908 110 L HN 0.389 nan 8.230 nan 0.000 0.437 111 G N -0.917 107.845 108.800 -0.064 0.000 2.440 111 G HA2 -0.247 4.092 3.960 0.631 0.000 0.218 111 G HA3 -0.247 4.092 3.960 0.631 0.000 0.218 111 G C 1.502 176.414 174.900 0.019 0.000 1.154 111 G CA 0.634 45.717 45.100 -0.028 0.000 0.767 111 G HN 0.578 nan 8.290 nan 0.000 0.552 112 G N 0.237 109.119 108.800 0.137 0.000 2.402 112 G HA2 -0.099 4.239 3.960 0.631 0.000 0.216 112 G HA3 -0.099 4.239 3.960 0.631 0.000 0.216 112 G C 1.782 176.864 174.900 0.305 0.000 1.162 112 G CA 1.099 46.369 45.100 0.283 0.000 0.777 112 G HN 0.309 nan 8.290 nan 0.000 0.539 113 V N 1.136 121.223 119.914 0.289 0.000 2.287 113 V HA -0.202 4.297 4.120 0.631 0.000 0.248 113 V C 3.190 179.374 176.094 0.150 0.000 1.053 113 V CA 2.424 64.891 62.300 0.278 0.000 1.027 113 V CB -0.919 31.056 31.823 0.253 0.000 0.646 113 V HN 0.395 nan 8.190 nan 0.000 0.447 114 T N 0.275 114.822 114.554 -0.012 0.000 2.746 114 T HA -0.159 4.570 4.350 0.631 0.000 0.267 114 T C 2.058 176.653 174.700 -0.175 0.000 1.039 114 T CA 1.600 63.536 62.100 -0.273 0.000 1.142 114 T CB -0.451 68.037 68.868 -0.633 0.000 0.866 114 T HN 0.576 nan 8.240 nan 0.000 0.444 115 A N 1.097 123.854 122.820 -0.104 0.000 1.877 115 A HA -0.066 4.632 4.320 0.631 0.000 0.216 115 A C 2.607 180.159 177.584 -0.054 0.000 1.186 115 A CA 1.503 53.495 52.037 -0.075 0.000 0.620 115 A CB -1.145 17.825 19.000 -0.049 0.000 0.822 115 A HN 0.336 nan 8.150 nan 0.000 0.443 116 V N 0.165 120.036 119.914 -0.071 0.000 2.287 116 V HA -0.356 4.142 4.120 0.631 0.000 0.248 116 V C 2.697 178.664 176.094 -0.212 0.000 1.053 116 V CA 2.423 64.584 62.300 -0.232 0.000 1.027 116 V CB -0.958 30.621 31.823 -0.408 0.000 0.646 116 V HN 0.659 nan 8.190 nan 0.000 0.447 117 Q N -0.851 118.908 119.800 -0.068 0.000 2.079 117 Q HA -0.166 4.552 4.340 0.631 0.000 0.200 117 Q C 2.277 178.308 176.000 0.051 0.000 0.974 117 Q CA 1.130 56.940 55.803 0.012 0.000 0.840 117 Q CB -0.176 28.679 28.738 0.194 0.000 0.898 117 Q HN 0.585 nan 8.270 nan 0.000 0.430 118 E N 0.433 120.658 120.200 0.042 0.000 2.268 118 E HA -0.062 4.667 4.350 0.631 0.000 0.195 118 E C 1.395 178.021 176.600 0.043 0.000 0.995 118 E CA 0.782 57.208 56.400 0.043 0.000 0.836 118 E CB 0.032 29.721 29.700 -0.018 0.000 0.763 118 E HN 0.442 nan 8.360 nan 0.000 0.491 119 M N 0.044 119.662 119.600 0.031 0.000 2.581 119 M HA 0.023 4.882 4.480 0.631 0.000 0.224 119 M C -0.245 176.116 176.300 0.102 0.000 1.171 119 M CA 0.345 55.686 55.300 0.067 0.000 0.993 119 M CB 0.021 32.670 32.600 0.083 0.000 1.685 119 M HN -0.047 nan 8.290 nan 0.000 0.479 120 Q N -1.292 118.557 119.800 0.081 0.000 2.493 120 Q HA -0.125 4.594 4.340 0.631 0.000 0.260 120 Q C 0.458 176.545 176.000 0.145 0.000 0.905 120 Q CA 0.246 56.126 55.803 0.128 0.000 1.140 120 Q CB -2.225 26.611 28.738 0.163 0.000 1.435 120 Q HN 0.741 nan 8.270 nan 0.000 0.581 121 G N 1.105 109.833 108.800 -0.120 0.000 2.553 121 G HA2 0.510 4.849 3.960 0.631 0.000 0.278 121 G HA3 0.510 4.849 3.960 0.631 0.000 0.278 121 G C -2.160 172.366 174.900 -0.622 0.000 1.349 121 G CA -0.744 43.934 45.100 -0.704 0.000 1.037 121 G HN 0.036 nan 8.290 nan 0.000 0.508 122 P HA 0.169 nan 4.420 nan 0.000 0.272 122 P C -0.547 176.620 177.300 -0.223 0.000 1.230 122 P CA -0.416 62.430 63.100 -0.424 0.000 0.788 122 P CB 0.720 32.131 31.700 -0.482 0.000 0.949 123 K N 1.626 121.991 120.400 -0.058 0.000 2.448 123 K HA 0.219 4.918 4.320 0.631 0.000 0.278 123 K C 0.174 176.774 176.600 -0.001 0.000 1.009 123 K CA 0.034 56.317 56.287 -0.006 0.000 0.995 123 K CB 0.094 32.605 32.500 0.018 0.000 0.917 123 K HN 0.410 nan 8.250 nan 0.000 0.481 124 I N 5.265 125.874 120.570 0.065 0.000 2.420 124 I HA 0.226 4.775 4.170 0.631 0.000 0.282 124 I C -2.298 173.904 176.117 0.141 0.000 1.019 124 I CA -2.857 58.512 61.300 0.115 0.000 1.130 124 I CB 0.970 39.107 38.000 0.229 0.000 1.262 124 I HN 0.130 nan 8.210 nan 0.000 0.454 125 P HA 0.007 nan 4.420 nan 0.000 0.266 125 P C -1.012 176.359 177.300 0.118 0.000 1.195 125 P CA 0.266 63.384 63.100 0.029 0.000 0.768 125 P CB 0.519 32.181 31.700 -0.063 0.000 0.838 126 W N 4.111 125.353 121.300 -0.097 0.000 2.998 126 W HA 0.452 5.489 4.660 0.627 0.000 0.335 126 W C -1.022 175.395 176.519 -0.170 0.000 1.110 126 W CA -0.626 56.698 57.345 -0.034 0.000 1.230 126 W CB 1.660 31.248 29.460 0.213 0.000 1.405 126 W HN 0.209 nan 8.180 nan 0.000 0.493 127 R N 4.517 124.395 120.500 -1.037 0.000 2.514 127 R HA 0.581 5.300 4.340 0.631 0.000 0.301 127 R C -0.003 175.363 176.300 -1.555 0.000 0.962 127 R CA -0.731 54.692 56.100 -1.129 0.000 0.882 127 R CB 1.220 30.924 30.300 -0.994 0.000 1.143 127 R HN 0.669 nan 8.270 nan 0.000 0.452 128 C N -0.528 118.085 119.300 -1.145 0.000 2.396 128 C HA 0.880 5.719 4.460 0.631 0.000 0.359 128 C C 1.360 176.213 174.990 -0.228 0.000 1.307 128 C CA 0.524 59.069 59.018 -0.787 0.000 2.392 128 C CB 0.471 27.882 27.740 -0.548 0.000 2.245 128 C HN 1.046 nan 8.230 nan 0.000 0.615 129 G N 0.416 109.189 108.800 -0.046 0.000 2.205 129 G HA2 -0.112 4.227 3.960 0.631 0.000 0.180 129 G HA3 -0.112 4.227 3.960 0.631 0.000 0.180 129 G C 0.012 174.864 174.900 -0.081 0.000 1.004 129 G CA -0.275 44.837 45.100 0.020 0.000 0.670 129 G HN 0.973 nan 8.290 nan 0.000 0.496 130 R N -0.030 120.377 120.500 -0.155 0.000 2.640 130 R HA 0.424 5.143 4.340 0.631 0.000 0.270 130 R C -0.090 175.891 176.300 -0.531 0.000 1.024 130 R CA 0.285 56.113 56.100 -0.453 0.000 1.085 130 R CB 1.024 31.174 30.300 -0.250 0.000 0.963 130 R HN 0.099 nan 8.270 nan 0.000 0.426 131 V N 3.038 122.333 119.914 -1.031 0.000 2.540 131 V HA 0.091 4.590 4.120 0.631 0.000 0.302 131 V C -0.464 175.407 176.094 -0.372 0.000 1.035 131 V CA -1.025 60.976 62.300 -0.497 0.000 0.873 131 V CB 1.895 33.561 31.823 -0.262 0.000 0.992 131 V HN 0.676 nan 8.190 nan 0.000 0.428 132 D N 3.144 123.462 120.400 -0.136 0.000 2.488 132 D HA 0.308 5.327 4.640 0.631 0.000 0.238 132 D C 0.548 176.881 176.300 0.054 0.000 1.138 132 D CA 0.521 54.506 54.000 -0.025 0.000 0.873 132 D CB 0.998 41.811 40.800 0.022 0.000 1.183 132 D HN 0.798 nan 8.370 nan 0.000 0.458 133 T N -0.947 113.685 114.554 0.131 0.000 2.932 133 T HA 0.716 5.444 4.350 0.631 0.000 0.289 133 T C -2.699 172.147 174.700 0.244 0.000 1.039 133 T CA -2.039 60.165 62.100 0.175 0.000 1.024 133 T CB 1.981 70.953 68.868 0.174 0.000 1.090 133 T HN -0.037 nan 8.240 nan 0.000 0.496 134 P HA 0.324 nan 4.420 nan 0.000 0.277 134 P C 0.772 177.931 177.300 -0.235 0.000 1.271 134 P CA -0.551 62.584 63.100 0.058 0.000 0.795 134 P CB 0.562 32.267 31.700 0.009 0.000 1.101 135 E N 0.406 120.184 120.200 -0.703 0.000 2.160 135 E HA -0.242 4.487 4.350 0.631 0.000 0.195 135 E C 0.892 177.169 176.600 -0.538 0.000 0.991 135 E CA 1.468 57.076 56.400 -1.320 0.000 0.810 135 E CB -0.254 28.785 29.700 -1.103 0.000 0.742 135 E HN 0.458 nan 8.360 nan 0.000 0.466 136 D N -0.642 119.592 120.400 -0.277 0.000 2.363 136 D HA -0.109 4.910 4.640 0.631 0.000 0.226 136 D C 1.441 177.703 176.300 -0.064 0.000 1.020 136 D CA 1.163 55.080 54.000 -0.138 0.000 0.892 136 D CB -0.383 40.365 40.800 -0.085 0.000 0.900 136 D HN 0.208 nan 8.370 nan 0.000 0.531 137 T N -3.885 110.644 114.554 -0.041 0.000 3.107 137 T HA 0.073 4.802 4.350 0.631 0.000 0.249 137 T C 0.686 175.435 174.700 0.081 0.000 1.096 137 T CA -0.376 61.755 62.100 0.052 0.000 1.012 137 T CB -0.676 68.263 68.868 0.118 0.000 0.977 137 T HN -0.092 nan 8.240 nan 0.000 0.527 138 T N 5.809 120.387 114.554 0.040 0.000 2.853 138 T HA 0.280 5.009 4.350 0.631 0.000 0.298 138 T C -2.328 172.419 174.700 0.078 0.000 0.978 138 T CA -0.814 61.346 62.100 0.101 0.000 1.152 138 T CB 0.802 69.721 68.868 0.085 0.000 0.914 138 T HN 0.320 nan 8.240 nan 0.000 0.539 139 P HA 0.214 nan 4.420 nan 0.000 0.275 139 P C -0.371 176.960 177.300 0.052 0.000 1.228 139 P CA -0.543 62.600 63.100 0.070 0.000 0.786 139 P CB 0.677 32.427 31.700 0.083 0.000 0.927 140 D N 1.227 121.647 120.400 0.033 0.000 2.378 140 D HA 0.051 5.070 4.640 0.631 0.000 0.238 140 D C 0.563 176.879 176.300 0.027 0.000 1.180 140 D CA 0.381 54.397 54.000 0.026 0.000 0.895 140 D CB 0.053 40.863 40.800 0.016 0.000 1.192 140 D HN 0.345 nan 8.370 nan 0.000 0.438 141 N N -0.368 118.346 118.700 0.024 0.000 2.381 141 N HA 0.299 5.418 4.740 0.631 0.000 0.241 141 N C 0.994 176.517 175.510 0.022 0.000 1.279 141 N CA 0.300 53.362 53.050 0.021 0.000 0.896 141 N CB 0.548 39.047 38.487 0.020 0.000 1.118 141 N HN 0.560 nan 8.380 nan 0.000 0.438 142 G N 0.212 109.024 108.800 0.020 0.000 2.154 142 G HA2 -0.233 4.106 3.960 0.631 0.000 0.186 142 G HA3 -0.233 4.106 3.960 0.631 0.000 0.186 142 G C 0.673 175.612 174.900 0.064 0.000 1.000 142 G CA -0.358 44.765 45.100 0.039 0.000 0.664 142 G HN 0.584 nan 8.290 nan 0.000 0.513 143 R N -0.675 119.854 120.500 0.048 0.000 2.300 143 R HA 0.390 5.109 4.340 0.631 0.000 0.199 143 R C 0.971 177.370 176.300 0.165 0.000 0.920 143 R CA 0.049 56.203 56.100 0.090 0.000 1.046 143 R CB 0.246 30.568 30.300 0.038 0.000 0.984 143 R HN 0.396 nan 8.270 nan 0.000 0.493 144 L N 2.215 123.446 121.223 0.013 0.000 2.379 144 L HA 0.364 5.083 4.340 0.631 0.000 0.269 144 L C -1.979 174.790 176.870 -0.169 0.000 1.084 144 L CA -2.261 52.496 54.840 -0.138 0.000 0.802 144 L CB 0.742 42.519 42.059 -0.470 0.000 1.175 144 L HN -0.136 nan 8.230 nan 0.000 0.448 145 P HA 0.151 nan 4.420 nan 0.000 0.277 145 P C -1.424 175.824 177.300 -0.087 0.000 1.240 145 P CA -0.553 62.206 63.100 -0.568 0.000 0.798 145 P CB 0.847 31.892 31.700 -1.092 0.000 0.979 146 D N 0.612 121.030 120.400 0.030 0.000 2.304 146 D HA 0.269 5.287 4.640 0.631 0.000 0.247 146 D C 0.959 177.244 176.300 -0.025 0.000 1.089 146 D CA -0.279 53.700 54.000 -0.034 0.000 0.910 146 D CB 1.176 41.862 40.800 -0.191 0.000 1.199 146 D HN 0.343 nan 8.370 nan 0.000 0.426 147 A N 1.464 124.295 122.820 0.019 0.000 2.220 147 A HA -0.042 4.657 4.320 0.631 0.000 0.211 147 A C 0.796 178.373 177.584 -0.012 0.000 1.176 147 A CA 0.076 52.102 52.037 -0.018 0.000 0.834 147 A CB 0.083 18.975 19.000 -0.179 0.000 0.868 147 A HN 0.500 nan 8.150 nan 0.000 0.488 148 D N -0.109 120.303 120.400 0.021 0.000 2.706 148 D HA 0.163 5.182 4.640 0.631 0.000 0.236 148 D C 0.008 176.293 176.300 -0.024 0.000 1.231 148 D CA 0.022 54.055 54.000 0.056 0.000 0.828 148 D CB 0.160 41.015 40.800 0.093 0.000 1.015 148 D HN 0.014 nan 8.370 nan 0.000 0.484 149 K N 0.470 120.835 120.400 -0.057 0.000 2.349 149 K HA 0.367 5.066 4.320 0.631 0.000 0.243 149 K C -0.096 176.569 176.600 0.107 0.000 1.058 149 K CA -0.578 55.658 56.287 -0.083 0.000 0.871 149 K CB 1.542 33.749 32.500 -0.489 0.000 1.337 149 K HN 0.160 nan 8.250 nan 0.000 0.469 150 D N -1.447 119.060 120.400 0.178 0.000 2.569 150 D HA 0.393 5.412 4.640 0.631 0.000 0.266 150 D C 0.746 177.224 176.300 0.297 0.000 1.164 150 D CA -0.602 53.532 54.000 0.223 0.000 1.071 150 D CB 0.299 41.211 40.800 0.187 0.000 1.183 150 D HN 0.328 nan 8.370 nan 0.000 0.613 151 A N -0.369 122.616 122.820 0.275 0.000 1.933 151 A HA 0.073 4.771 4.320 0.631 0.000 0.218 151 A C 2.055 179.834 177.584 0.326 0.000 1.175 151 A CA 2.048 54.300 52.037 0.358 0.000 0.628 151 A CB -1.566 17.620 19.000 0.310 0.000 0.814 151 A HN 0.662 nan 8.150 nan 0.000 0.444 152 G N -1.779 107.160 108.800 0.231 0.000 2.432 152 G HA2 -0.247 4.092 3.960 0.631 0.000 0.219 152 G HA3 -0.247 4.092 3.960 0.631 0.000 0.219 152 G C 1.503 176.549 174.900 0.244 0.000 1.135 152 G CA 1.188 46.401 45.100 0.189 0.000 0.767 152 G HN 0.624 nan 8.290 nan 0.000 0.550 153 Y N 1.210 121.619 120.300 0.182 0.000 2.097 153 Y HA -0.175 4.746 4.550 0.619 0.000 0.282 153 Y C 2.811 178.879 175.900 0.281 0.000 1.152 153 Y CA 1.937 60.156 58.100 0.198 0.000 1.136 153 Y CB -0.348 38.209 38.460 0.162 0.000 0.975 153 Y HN 0.030 nan 8.280 nan 0.000 0.498 154 V N 1.259 121.395 119.914 0.369 0.000 2.287 154 V HA -0.342 4.156 4.120 0.631 0.000 0.248 154 V C 2.554 178.921 176.094 0.456 0.000 1.053 154 V CA 2.396 64.941 62.300 0.408 0.000 1.027 154 V CB -0.818 31.276 31.823 0.452 0.000 0.646 154 V HN 0.416 nan 8.190 nan 0.000 0.447 155 R N -0.256 120.488 120.500 0.408 0.000 2.073 155 R HA -0.168 4.551 4.340 0.631 0.000 0.234 155 R C 2.363 178.801 176.300 0.230 0.000 1.134 155 R CA 2.188 58.497 56.100 0.349 0.000 0.952 155 R CB -0.522 29.899 30.300 0.202 0.000 0.850 155 R HN 0.518 nan 8.270 nan 0.000 0.433 156 T N 0.722 115.357 114.554 0.134 0.000 2.777 156 T HA -0.142 4.587 4.350 0.631 0.000 0.266 156 T C 1.296 175.990 174.700 -0.009 0.000 1.040 156 T CA 1.380 63.512 62.100 0.054 0.000 1.141 156 T CB -0.366 68.520 68.868 0.030 0.000 0.868 156 T HN 0.287 nan 8.240 nan 0.000 0.444 157 F N 1.275 121.101 119.950 -0.206 0.000 2.065 157 F HA -0.120 4.346 4.527 -0.102 0.000 0.298 157 F C 1.627 177.332 175.800 -0.159 0.000 1.112 157 F CA 1.354 59.167 58.000 -0.312 0.000 1.212 157 F CB -0.500 38.149 39.000 -0.585 0.000 0.975 157 F HN 0.104 nan 8.300 nan 0.000 0.476 158 F N 0.806 120.775 119.950 0.033 0.000 2.604 158 F HA -0.080 4.899 4.527 0.754 0.000 0.298 158 F C 2.343 178.127 175.800 -0.026 0.000 1.131 158 F CA 0.973 58.994 58.000 0.035 0.000 1.457 158 F CB -0.753 38.364 39.000 0.195 0.000 1.095 158 F HN 0.094 nan 8.300 nan 0.000 0.574 159 Q N -0.308 119.552 119.800 0.099 0.000 2.234 159 Q HA -0.216 4.503 4.340 0.631 0.000 0.206 159 Q C 2.289 178.258 176.000 -0.052 0.000 0.980 159 Q CA 1.080 56.910 55.803 0.043 0.000 0.869 159 Q CB -0.233 28.525 28.738 0.034 0.000 0.912 159 Q HN 0.354 nan 8.270 nan 0.000 0.436 160 R N 0.524 120.921 120.500 -0.171 0.000 2.189 160 R HA -0.048 4.671 4.340 0.631 0.000 0.223 160 R C 1.290 177.452 176.300 -0.230 0.000 1.092 160 R CA 0.675 56.627 56.100 -0.246 0.000 0.989 160 R CB 0.129 30.226 30.300 -0.339 0.000 0.876 160 R HN 0.260 nan 8.270 nan 0.000 0.457 161 L N 0.688 121.892 121.223 -0.032 0.000 2.653 161 L HA 0.091 4.810 4.340 0.631 0.000 0.231 161 L C 0.188 177.301 176.870 0.406 0.000 1.153 161 L CA -0.187 54.844 54.840 0.317 0.000 0.933 161 L CB -0.175 42.112 42.059 0.380 0.000 1.175 161 L HN 0.230 nan 8.230 nan 0.000 0.473 162 N N 0.981 119.815 118.700 0.224 0.000 2.740 162 N HA -0.193 4.926 4.740 0.631 0.000 0.248 162 N C -0.487 175.132 175.510 0.182 0.000 1.062 162 N CA 0.745 53.909 53.050 0.191 0.000 0.704 162 N CB -0.390 38.255 38.487 0.263 0.000 0.968 162 N HN 0.102 nan 8.380 nan 0.000 0.547 163 M N 0.575 120.299 119.600 0.206 0.000 2.364 163 M HA 0.343 5.202 4.480 0.631 0.000 0.334 163 M C 0.727 177.110 176.300 0.138 0.000 1.107 163 M CA -0.707 54.692 55.300 0.166 0.000 0.988 163 M CB 1.447 34.167 32.600 0.199 0.000 1.673 163 M HN 0.345 nan 8.290 nan 0.000 0.441 164 N N 1.037 119.793 118.700 0.094 0.000 2.566 164 N HA 0.258 5.376 4.740 0.631 0.000 0.299 164 N C 0.109 175.687 175.510 0.114 0.000 1.277 164 N CA -0.355 52.753 53.050 0.096 0.000 0.965 164 N CB 0.386 38.916 38.487 0.072 0.000 1.142 164 N HN 0.354 nan 8.380 nan 0.000 0.596 165 D N -0.425 120.059 120.400 0.141 0.000 2.097 165 D HA -0.084 4.935 4.640 0.631 0.000 0.195 165 D C 1.749 178.164 176.300 0.192 0.000 0.989 165 D CA 1.397 55.548 54.000 0.250 0.000 0.827 165 D CB -0.092 40.818 40.800 0.183 0.000 0.966 165 D HN 0.490 nan 8.370 nan 0.000 0.456 166 R N 0.521 121.096 120.500 0.126 0.000 2.096 166 R HA -0.077 4.641 4.340 0.631 0.000 0.235 166 R C 2.206 178.597 176.300 0.151 0.000 1.127 166 R CA 0.987 57.168 56.100 0.134 0.000 0.968 166 R CB -0.163 30.201 30.300 0.108 0.000 0.861 166 R HN 0.343 nan 8.270 nan 0.000 0.440 167 E N 0.181 120.427 120.200 0.077 0.000 2.072 167 E HA -0.131 4.598 4.350 0.631 0.000 0.191 167 E C 2.072 178.612 176.600 -0.099 0.000 0.985 167 E CA 1.141 57.549 56.400 0.013 0.000 0.801 167 E CB 0.033 29.732 29.700 -0.001 0.000 0.750 167 E HN 0.067 nan 8.360 nan 0.000 0.452 168 V N 0.872 120.677 119.914 -0.182 0.000 2.261 168 V HA -0.244 4.255 4.120 0.631 0.000 0.246 168 V C 2.305 178.230 176.094 -0.281 0.000 1.047 168 V CA 1.449 63.468 62.300 -0.468 0.000 1.015 168 V CB -0.351 31.221 31.823 -0.418 0.000 0.642 168 V HN 0.145 nan 8.190 nan 0.000 0.446 169 V N 0.124 119.997 119.914 -0.068 0.000 2.427 169 V HA -0.216 4.282 4.120 0.631 0.000 0.248 169 V C 2.643 178.944 176.094 0.344 0.000 1.051 169 V CA 1.834 64.196 62.300 0.102 0.000 1.048 169 V CB -1.059 30.864 31.823 0.167 0.000 0.666 169 V HN 0.555 nan 8.190 nan 0.000 0.456 170 A N -0.106 122.937 122.820 0.372 0.000 1.877 170 A HA -0.148 4.551 4.320 0.631 0.000 0.216 170 A C 2.210 180.031 177.584 0.395 0.000 1.186 170 A CA 1.719 53.990 52.037 0.389 0.000 0.620 170 A CB -0.566 18.561 19.000 0.212 0.000 0.822 170 A HN 0.479 nan 8.150 nan 0.000 0.443 171 L N -1.817 119.454 121.223 0.080 0.000 2.079 171 L HA -0.196 4.523 4.340 0.631 0.000 0.210 171 L C 2.689 179.491 176.870 -0.114 0.000 1.081 171 L CA 1.624 56.452 54.840 -0.020 0.000 0.752 171 L CB -0.360 41.536 42.059 -0.271 0.000 0.896 171 L HN 0.399 nan 8.230 nan 0.000 0.433 172 M N -0.090 119.336 119.600 -0.290 0.000 2.549 172 M HA -0.045 4.814 4.480 0.631 0.000 0.260 172 M C 1.886 177.552 176.300 -1.057 0.000 1.076 172 M CA 1.040 55.941 55.300 -0.666 0.000 1.090 172 M CB -0.494 31.797 32.600 -0.515 0.000 1.418 172 M HN 0.155 nan 8.290 nan 0.000 0.486 173 G N -0.893 107.577 108.800 -0.550 0.000 2.498 173 G HA2 -0.095 4.244 3.960 0.631 0.000 0.219 173 G HA3 -0.095 4.244 3.960 0.631 0.000 0.219 173 G C 1.495 175.986 174.900 -0.683 0.000 1.119 173 G CA 0.710 45.340 45.100 -0.783 0.000 0.766 173 G HN 0.596 nan 8.290 nan 0.000 0.552 174 A N 0.051 122.596 122.820 -0.460 0.000 2.125 174 A HA -0.049 4.649 4.320 0.631 0.000 0.219 174 A C 1.783 179.179 177.584 -0.312 0.000 1.156 174 A CA 1.065 52.872 52.037 -0.383 0.000 0.671 174 A CB -0.693 18.244 19.000 -0.106 0.000 0.794 174 A HN 0.626 nan 8.150 nan 0.000 0.459 175 H N -1.061 117.641 119.070 -0.613 0.000 2.563 175 H HA 0.145 5.078 4.556 0.627 0.000 0.272 175 H C 2.153 177.307 175.328 -0.290 0.000 1.005 175 H CA 0.064 55.843 56.048 -0.449 0.000 1.171 175 H CB 0.168 29.597 29.762 -0.555 0.000 1.351 175 H HN 0.603 nan 8.280 nan 0.000 0.602 176 A N 0.857 123.526 122.820 -0.251 0.000 2.067 176 A HA -0.036 4.663 4.320 0.631 0.000 0.219 176 A C 0.980 178.459 177.584 -0.175 0.000 1.158 176 A CA 0.514 52.433 52.037 -0.197 0.000 0.661 176 A CB -0.193 18.627 19.000 -0.300 0.000 0.801 176 A HN 0.211 nan 8.150 nan 0.000 0.452 177 L N -0.980 120.143 121.223 -0.166 0.000 2.334 177 L HA 0.564 5.283 4.340 0.631 0.000 0.277 177 L C 1.266 178.103 176.870 -0.055 0.000 1.075 177 L CA 0.170 54.950 54.840 -0.100 0.000 0.804 177 L CB 0.826 42.842 42.059 -0.071 0.000 1.174 177 L HN 0.564 nan 8.230 nan 0.000 0.438 178 G N 2.701 111.478 108.800 -0.038 0.000 2.539 178 G HA2 -0.230 4.109 3.960 0.631 0.000 0.256 178 G HA3 -0.230 4.109 3.960 0.631 0.000 0.256 178 G C -0.708 174.145 174.900 -0.077 0.000 1.233 178 G CA 0.298 45.384 45.100 -0.024 0.000 0.936 178 G HN 0.975 nan 8.290 nan 0.000 0.571 179 K N -1.737 118.588 120.400 -0.124 0.000 2.607 179 K HA 0.662 5.361 4.320 0.631 0.000 0.287 179 K C -0.372 176.025 176.600 -0.339 0.000 0.996 179 K CA -0.242 55.903 56.287 -0.237 0.000 0.876 179 K CB 1.138 33.459 32.500 -0.298 0.000 1.496 179 K HN 1.354 nan 8.250 nan 0.000 0.415 180 T N -0.605 113.789 114.554 -0.267 0.000 2.909 180 T HA 0.373 5.102 4.350 0.631 0.000 0.289 180 T C -0.641 173.870 174.700 -0.315 0.000 1.005 180 T CA -0.370 61.625 62.100 -0.174 0.000 1.084 180 T CB 0.275 69.139 68.868 -0.006 0.000 0.975 180 T HN 0.604 nan 8.240 nan 0.000 0.509 181 H N 1.740 120.834 119.070 0.039 0.000 2.589 181 H HA 0.416 5.350 4.556 0.629 0.000 0.335 181 H C 0.640 175.985 175.328 0.028 0.000 1.019 181 H CA -0.930 55.130 56.048 0.020 0.000 1.213 181 H CB 1.552 31.314 29.762 0.001 0.000 1.472 181 H HN 0.460 nan 8.280 nan 0.000 0.508 182 L N 2.103 123.389 121.223 0.104 0.000 2.079 182 L HA -0.207 4.512 4.340 0.631 0.000 0.210 182 L C 2.056 178.950 176.870 0.040 0.000 1.081 182 L CA 1.654 56.521 54.840 0.045 0.000 0.752 182 L CB -0.180 41.885 42.059 0.010 0.000 0.896 182 L HN 0.340 nan 8.230 nan 0.000 0.433 183 K N -0.864 119.570 120.400 0.057 0.000 2.288 183 K HA -0.008 4.691 4.320 0.631 0.000 0.201 183 K C 1.828 178.451 176.600 0.038 0.000 1.048 183 K CA 1.039 57.346 56.287 0.033 0.000 0.956 183 K CB -0.673 31.842 32.500 0.025 0.000 0.746 183 K HN 0.540 nan 8.250 nan 0.000 0.461 184 N N -0.093 118.649 118.700 0.071 0.000 2.278 184 N HA -0.020 5.099 4.740 0.631 0.000 0.181 184 N C 1.650 177.211 175.510 0.085 0.000 1.023 184 N CA 1.805 54.895 53.050 0.066 0.000 0.862 184 N CB 0.152 38.689 38.487 0.082 0.000 1.003 184 N HN 0.475 nan 8.380 nan 0.000 0.431 185 S N -2.430 113.340 115.700 0.116 0.000 2.687 185 S HA 0.366 5.214 4.470 0.631 0.000 0.247 185 S C 1.185 175.825 174.600 0.066 0.000 1.050 185 S CA 0.397 58.690 58.200 0.155 0.000 1.063 185 S CB 0.921 64.284 63.200 0.271 0.000 1.039 185 S HN 0.334 nan 8.310 nan 0.000 0.580 186 G N 0.555 109.328 108.800 -0.045 0.000 2.143 186 G HA2 -0.243 4.095 3.960 0.631 0.000 0.248 186 G HA3 -0.243 4.095 3.960 0.631 0.000 0.248 186 G C -0.311 174.252 174.900 -0.561 0.000 0.991 186 G CA 0.483 45.424 45.100 -0.265 0.000 0.689 186 G HN 0.586 nan 8.290 nan 0.000 0.522 187 Y N -0.757 119.549 120.300 0.011 0.000 2.499 187 Y HA 0.709 5.636 4.550 0.629 0.000 0.347 187 Y C 0.088 175.981 175.900 -0.012 0.000 0.987 187 Y CA -1.281 56.817 58.100 -0.002 0.000 1.044 187 Y CB 2.218 40.676 38.460 -0.003 0.000 1.245 187 Y HN 0.141 nan 8.280 nan 0.000 0.461 188 E N 0.967 121.245 120.200 0.130 0.000 2.275 188 E HA 0.717 5.446 4.350 0.631 0.000 0.270 188 E C -0.556 176.068 176.600 0.040 0.000 0.882 188 E CA -0.299 56.130 56.400 0.047 0.000 0.758 188 E CB 1.793 31.506 29.700 0.023 0.000 1.195 188 E HN 0.917 nan 8.360 nan 0.000 0.419 189 G N 3.675 112.466 108.800 -0.015 0.000 2.362 189 G HA2 0.099 4.438 3.960 0.631 0.000 0.656 189 G HA3 0.099 4.438 3.960 0.631 0.000 0.656 189 G C -3.075 171.815 174.900 -0.016 0.000 1.376 189 G CA -0.483 44.621 45.100 0.007 0.000 0.971 189 G HN 0.498 nan 8.290 nan 0.000 0.636 190 P HA 0.495 nan 4.420 nan 0.000 0.283 190 P C 0.716 178.055 177.300 0.066 0.000 1.278 190 P CA 0.336 63.439 63.100 0.004 0.000 0.834 190 P CB 1.732 33.441 31.700 0.015 0.000 1.150 191 G N -1.440 107.348 108.800 -0.020 0.000 3.126 191 G HA2 0.489 4.827 3.960 0.631 0.000 0.224 191 G HA3 0.489 4.827 3.960 0.631 0.000 0.224 191 G C 0.474 175.184 174.900 -0.317 0.000 1.142 191 G CA 0.173 45.278 45.100 0.007 0.000 0.759 191 G HN 0.839 nan 8.290 nan 0.000 0.550 192 G N -1.953 106.491 108.800 -0.594 0.000 2.489 192 G HA2 0.515 4.854 3.960 0.631 0.000 0.305 192 G HA3 0.515 4.854 3.960 0.631 0.000 0.305 192 G C 0.325 174.855 174.900 -0.618 0.000 1.311 192 G CA 0.261 44.643 45.100 -1.197 0.000 0.813 192 G HN 0.497 nan 8.290 nan 0.000 0.480 193 A N -1.090 121.506 122.820 -0.374 0.000 2.044 193 A HA 0.621 5.320 4.320 0.631 0.000 0.213 193 A C 1.618 179.177 177.584 -0.041 0.000 1.169 193 A CA 1.804 53.820 52.037 -0.036 0.000 0.724 193 A CB -0.113 18.937 19.000 0.083 0.000 0.840 193 A HN 1.907 nan 8.150 nan 0.000 0.463 194 A N 1.497 124.269 122.820 -0.080 0.000 3.173 194 A HA 0.403 5.102 4.320 0.631 0.000 0.304 194 A C 0.404 177.955 177.584 -0.054 0.000 1.318 194 A CA -0.275 51.738 52.037 -0.041 0.000 1.069 194 A CB -0.630 18.355 19.000 -0.026 0.000 1.147 194 A HN 0.480 nan 8.150 nan 0.000 0.547 195 N N 0.303 118.976 118.700 -0.045 0.000 2.268 195 N HA -0.046 5.073 4.740 0.631 0.000 0.204 195 N C -0.026 175.471 175.510 -0.021 0.000 1.124 195 N CA 0.173 53.190 53.050 -0.055 0.000 0.838 195 N CB -0.025 38.424 38.487 -0.062 0.000 0.994 195 N HN 0.505 nan 8.380 nan 0.000 0.489 196 N N -0.586 118.117 118.700 0.006 0.000 2.291 196 N HA 0.124 5.243 4.740 0.631 0.000 0.244 196 N C -1.231 174.306 175.510 0.045 0.000 1.216 196 N CA -0.535 52.531 53.050 0.027 0.000 0.879 196 N CB 0.351 38.864 38.487 0.043 0.000 1.167 196 N HN -0.095 nan 8.380 nan 0.000 0.515 197 V N 1.207 121.145 119.914 0.040 0.000 2.487 197 V HA 0.407 4.906 4.120 0.631 0.000 0.298 197 V C -0.885 175.261 176.094 0.087 0.000 1.028 197 V CA -1.008 61.340 62.300 0.081 0.000 0.860 197 V CB 1.602 33.471 31.823 0.076 0.000 0.991 197 V HN 0.203 nan 8.190 nan 0.000 0.427 198 F N 5.419 125.369 119.950 -0.000 0.000 2.466 198 F HA 0.541 5.445 4.527 0.628 0.000 0.363 198 F C 0.736 176.633 175.800 0.162 0.000 1.109 198 F CA 0.506 58.486 58.000 -0.033 0.000 1.161 198 F CB 0.618 39.495 39.000 -0.205 0.000 1.117 198 F HN 0.723 nan 8.300 nan 0.000 0.539 199 T N 1.359 115.920 114.554 0.012 0.000 2.696 199 T HA 0.239 4.968 4.350 0.631 0.000 0.291 199 T C 0.103 174.907 174.700 0.173 0.000 1.095 199 T CA -0.845 61.408 62.100 0.256 0.000 1.026 199 T CB 1.276 70.214 68.868 0.117 0.000 1.390 199 T HN 0.477 nan 8.240 nan 0.000 0.513 200 N N -0.362 118.460 118.700 0.203 0.000 2.322 200 N HA 0.033 5.152 4.740 0.631 0.000 0.216 200 N C 0.864 176.367 175.510 -0.011 0.000 1.144 200 N CA -0.012 53.049 53.050 0.018 0.000 0.830 200 N CB -0.036 38.532 38.487 0.134 0.000 1.034 200 N HN 0.876 nan 8.380 nan 0.000 0.484 201 E N 0.039 120.202 120.200 -0.061 0.000 2.209 201 E HA -0.220 4.509 4.350 0.631 0.000 0.196 201 E C 1.122 177.657 176.600 -0.108 0.000 0.993 201 E CA 0.639 56.998 56.400 -0.070 0.000 0.819 201 E CB -0.232 29.411 29.700 -0.096 0.000 0.745 201 E HN 0.390 nan 8.360 nan 0.000 0.477 202 F N 0.421 120.120 119.950 -0.418 0.000 2.095 202 F HA -0.274 4.633 4.527 0.634 0.000 0.298 202 F C 1.430 176.959 175.800 -0.452 0.000 1.104 202 F CA 1.771 59.463 58.000 -0.513 0.000 1.232 202 F CB -0.417 38.096 39.000 -0.812 0.000 0.987 202 F HN 0.083 nan 8.300 nan 0.000 0.475 203 Y N 0.071 120.294 120.300 -0.129 0.000 2.220 203 Y HA -0.116 4.811 4.550 0.630 0.000 0.291 203 Y C 2.368 178.184 175.900 -0.140 0.000 1.129 203 Y CA 1.303 59.292 58.100 -0.186 0.000 1.161 203 Y CB -1.073 37.341 38.460 -0.077 0.000 0.997 203 Y HN 0.043 nan 8.280 nan 0.000 0.522 204 L N -0.100 121.156 121.223 0.054 0.000 2.017 204 L HA -0.254 4.464 4.340 0.631 0.000 0.208 204 L C 2.034 178.922 176.870 0.030 0.000 1.073 204 L CA 1.368 56.230 54.840 0.036 0.000 0.745 204 L CB -0.545 41.533 42.059 0.032 0.000 0.894 204 L HN 0.239 nan 8.230 nan 0.000 0.432 205 N N 0.003 118.712 118.700 0.015 0.000 2.142 205 N HA -0.129 4.989 4.740 0.631 0.000 0.186 205 N C 1.955 177.652 175.510 0.311 0.000 1.023 205 N CA 1.079 54.215 53.050 0.143 0.000 0.852 205 N CB -0.377 38.205 38.487 0.158 0.000 0.998 205 N HN 0.244 nan 8.380 nan 0.000 0.424 206 L N 0.492 121.744 121.223 0.049 0.000 2.043 206 L HA -0.155 4.564 4.340 0.631 0.000 0.212 206 L C 2.036 179.004 176.870 0.164 0.000 1.075 206 L CA 1.088 55.927 54.840 -0.002 0.000 0.752 206 L CB -0.306 41.500 42.059 -0.422 0.000 0.891 206 L HN 0.161 nan 8.230 nan 0.000 0.432 207 L N -1.313 119.948 121.223 0.063 0.000 2.209 207 L HA -0.095 4.624 4.340 0.631 0.000 0.207 207 L C 1.668 178.576 176.870 0.063 0.000 1.094 207 L CA 1.169 56.035 54.840 0.043 0.000 0.790 207 L CB -0.279 41.786 42.059 0.010 0.000 0.932 207 L HN 0.342 nan 8.230 nan 0.000 0.447 208 N N -1.721 117.016 118.700 0.062 0.000 2.348 208 N HA 0.023 5.142 4.740 0.631 0.000 0.183 208 N C 0.213 175.683 175.510 -0.066 0.000 1.094 208 N CA -0.224 52.829 53.050 0.005 0.000 0.885 208 N CB 0.701 39.191 38.487 0.004 0.000 1.065 208 N HN 0.122 nan 8.380 nan 0.000 0.472 209 E N 1.273 121.386 120.200 -0.146 0.000 2.374 209 E HA 0.028 4.757 4.350 0.631 0.000 0.260 209 E C -0.864 175.402 176.600 -0.557 0.000 1.101 209 E CA 0.065 56.170 56.400 -0.492 0.000 0.907 209 E CB 0.845 29.934 29.700 -1.018 0.000 1.014 209 E HN 0.060 nan 8.360 nan 0.000 0.427 210 D N 1.604 121.704 120.400 -0.499 0.000 2.428 210 D HA 0.140 5.159 4.640 0.631 0.000 0.221 210 D C -1.143 174.997 176.300 -0.267 0.000 1.123 210 D CA -0.361 53.478 54.000 -0.267 0.000 0.869 210 D CB 0.052 40.768 40.800 -0.140 0.000 1.032 210 D HN 0.175 nan 8.370 nan 0.000 0.506 211 W N 4.139 125.528 121.300 0.148 0.000 2.365 211 W HA 0.407 5.450 4.660 0.638 0.000 0.316 211 W C 0.593 177.298 176.519 0.310 0.000 1.164 211 W CA -0.905 56.583 57.345 0.237 0.000 1.204 211 W CB 1.158 30.783 29.460 0.276 0.000 1.213 211 W HN -0.079 nan 8.180 nan 0.000 0.539 212 K N 3.391 124.087 120.400 0.494 0.000 2.324 212 K HA 0.373 5.072 4.320 0.631 0.000 0.253 212 K C -1.271 175.318 176.600 -0.018 0.000 0.932 212 K CA -1.410 55.026 56.287 0.247 0.000 0.799 212 K CB 2.536 35.095 32.500 0.099 0.000 1.154 212 K HN 0.336 nan 8.250 nan 0.000 0.425 213 L N 3.364 124.307 121.223 -0.468 0.000 2.342 213 L HA 0.173 4.892 4.340 0.631 0.000 0.285 213 L C -0.316 176.279 176.870 -0.460 0.000 1.095 213 L CA 0.788 55.035 54.840 -0.988 0.000 0.843 213 L CB -0.082 41.139 42.059 -1.397 0.000 1.201 213 L HN 0.536 nan 8.230 nan 0.000 0.445 214 E N 3.897 123.895 120.200 -0.337 0.000 2.378 214 E HA 0.471 5.200 4.350 0.631 0.000 0.265 214 E C -1.008 175.497 176.600 -0.157 0.000 0.932 214 E CA -1.169 55.123 56.400 -0.181 0.000 0.795 214 E CB 1.972 31.616 29.700 -0.094 0.000 1.296 214 E HN 0.404 nan 8.360 nan 0.000 0.438 215 K N 1.495 121.830 120.400 -0.108 0.000 2.138 215 K HA 0.222 4.921 4.320 0.631 0.000 0.263 215 K C -0.272 176.289 176.600 -0.064 0.000 0.965 215 K CA -0.595 55.639 56.287 -0.089 0.000 0.868 215 K CB 0.872 33.322 32.500 -0.082 0.000 1.083 215 K HN 0.447 nan 8.250 nan 0.000 0.443 216 N N 0.353 119.015 118.700 -0.063 0.000 2.476 216 N HA 0.071 5.190 4.740 0.631 0.000 0.287 216 N C 0.033 175.506 175.510 -0.062 0.000 1.262 216 N CA -0.324 52.696 53.050 -0.051 0.000 0.980 216 N CB 0.366 38.827 38.487 -0.043 0.000 1.163 216 N HN 0.321 nan 8.380 nan 0.000 0.592 217 D N -1.378 118.991 120.400 -0.052 0.000 2.371 217 D HA 0.058 5.077 4.640 0.631 0.000 0.221 217 D C 0.770 177.033 176.300 -0.061 0.000 0.986 217 D CA 0.658 54.630 54.000 -0.048 0.000 0.899 217 D CB -0.312 40.468 40.800 -0.033 0.000 0.902 217 D HN 0.668 nan 8.370 nan 0.000 0.530 218 A N 0.395 123.161 122.820 -0.090 0.000 2.307 218 A HA 0.091 4.790 4.320 0.631 0.000 0.218 218 A C 0.925 178.440 177.584 -0.116 0.000 1.228 218 A CA 0.025 51.997 52.037 -0.108 0.000 0.857 218 A CB -0.269 18.640 19.000 -0.151 0.000 0.897 218 A HN 0.120 nan 8.150 nan 0.000 0.495 219 N N -0.317 118.323 118.700 -0.101 0.000 2.776 219 N HA -0.136 4.983 4.740 0.631 0.000 0.250 219 N C -1.075 174.369 175.510 -0.110 0.000 1.112 219 N CA 0.951 53.947 53.050 -0.090 0.000 0.733 219 N CB -1.690 36.755 38.487 -0.071 0.000 1.097 219 N HN 0.560 nan 8.380 nan 0.000 0.558 220 N N 0.863 119.469 118.700 -0.156 0.000 2.417 220 N HA 0.232 5.351 4.740 0.631 0.000 0.300 220 N C -0.502 174.952 175.510 -0.092 0.000 1.102 220 N CA -0.316 52.635 53.050 -0.164 0.000 0.886 220 N CB 0.888 39.139 38.487 -0.393 0.000 1.203 220 N HN 0.235 nan 8.380 nan 0.000 0.496 221 E N 0.986 121.162 120.200 -0.041 0.000 2.331 221 E HA 0.147 4.876 4.350 0.631 0.000 0.272 221 E C -0.195 176.418 176.600 0.022 0.000 1.036 221 E CA -0.223 56.132 56.400 -0.075 0.000 0.864 221 E CB 0.915 30.531 29.700 -0.139 0.000 1.035 221 E HN 0.493 nan 8.360 nan 0.000 0.408 222 Q N 1.474 121.227 119.800 -0.079 0.000 2.511 222 Q HA 0.402 5.121 4.340 0.631 0.000 0.289 222 Q C -1.477 174.407 176.000 -0.194 0.000 1.021 222 Q CA -1.047 54.745 55.803 -0.019 0.000 0.785 222 Q CB 1.005 29.848 28.738 0.175 0.000 1.472 222 Q HN 0.401 nan 8.270 nan 0.000 0.411 223 W N 1.297 122.557 121.300 -0.067 0.000 2.361 223 W HA 0.442 5.478 4.660 0.627 0.000 0.309 223 W C -0.737 175.903 176.519 0.203 0.000 1.122 223 W CA 0.174 57.483 57.345 -0.060 0.000 1.208 223 W CB 1.315 30.555 29.460 -0.365 0.000 1.246 223 W HN 0.457 nan 8.180 nan 0.000 0.490 224 D N 1.364 122.050 120.400 0.477 0.000 2.342 224 D HA 0.396 5.415 4.640 0.631 0.000 0.243 224 D C -0.340 176.188 176.300 0.380 0.000 1.019 224 D CA -0.446 53.808 54.000 0.424 0.000 0.864 224 D CB 1.980 42.885 40.800 0.175 0.000 1.315 224 D HN 0.236 nan 8.370 nan 0.000 0.468 225 S N -0.488 115.281 115.700 0.116 0.000 2.621 225 S HA 0.333 5.181 4.470 0.631 0.000 0.302 225 S C 0.891 175.358 174.600 -0.222 0.000 1.093 225 S CA -0.739 57.296 58.200 -0.275 0.000 1.017 225 S CB 2.106 64.838 63.200 -0.779 0.000 1.077 225 S HN 0.455 nan 8.310 nan 0.000 0.517 226 K N 0.679 120.936 120.400 -0.239 0.000 2.283 226 K HA 0.043 4.742 4.320 0.631 0.000 0.202 226 K C 1.586 178.030 176.600 -0.260 0.000 1.048 226 K CA 1.265 57.437 56.287 -0.191 0.000 0.948 226 K CB -0.483 31.927 32.500 -0.150 0.000 0.742 226 K HN 0.371 nan 8.250 nan 0.000 0.458 227 S N 0.538 115.991 115.700 -0.411 0.000 2.469 227 S HA -0.013 4.835 4.470 0.631 0.000 0.238 227 S C 1.321 175.529 174.600 -0.654 0.000 0.998 227 S CA 1.083 58.911 58.200 -0.619 0.000 0.957 227 S CB -0.398 62.189 63.200 -1.023 0.000 0.764 227 S HN 0.779 nan 8.310 nan 0.000 0.514 228 G N -0.025 108.521 108.800 -0.424 0.000 2.131 228 G HA2 -0.236 4.103 3.960 0.631 0.000 0.223 228 G HA3 -0.236 4.103 3.960 0.631 0.000 0.223 228 G C -0.064 174.828 174.900 -0.013 0.000 0.990 228 G CA -0.149 44.836 45.100 -0.191 0.000 0.671 228 G HN 0.565 nan 8.290 nan 0.000 0.521 229 Y N -0.724 119.606 120.300 0.050 0.000 2.374 229 Y HA 0.712 5.641 4.550 0.632 0.000 0.322 229 Y C 0.705 176.807 175.900 0.337 0.000 1.275 229 Y CA -0.974 57.224 58.100 0.165 0.000 1.307 229 Y CB 1.170 39.750 38.460 0.200 0.000 1.282 229 Y HN 0.333 nan 8.280 nan 0.000 0.509 230 M N 0.924 120.831 119.600 0.511 0.000 2.593 230 M HA 0.664 5.523 4.480 0.631 0.000 0.290 230 M C -1.705 174.698 176.300 0.172 0.000 1.244 230 M CA -0.924 54.613 55.300 0.396 0.000 0.857 230 M CB 2.188 34.919 32.600 0.220 0.000 1.738 230 M HN 0.346 nan 8.290 nan 0.000 0.461 231 M N 2.500 122.088 119.600 -0.020 0.000 2.464 231 M HA 0.568 5.427 4.480 0.631 0.000 0.308 231 M C -1.113 175.177 176.300 -0.016 0.000 1.127 231 M CA -0.531 54.681 55.300 -0.147 0.000 0.913 231 M CB 2.103 34.394 32.600 -0.516 0.000 1.689 231 M HN 0.898 nan 8.290 nan 0.000 0.445 232 L N 3.181 124.365 121.223 -0.065 0.000 2.473 232 L HA 0.117 4.836 4.340 0.631 0.000 0.268 232 L C -1.242 175.675 176.870 0.078 0.000 1.215 232 L CA -1.306 53.456 54.840 -0.129 0.000 0.823 232 L CB -0.004 41.912 42.059 -0.238 0.000 1.099 232 L HN 0.453 nan 8.230 nan 0.000 0.483 233 P HA -0.180 nan 4.420 nan 0.000 0.216 233 P C 1.416 178.833 177.300 0.195 0.000 1.150 233 P CA 1.597 64.851 63.100 0.257 0.000 0.843 233 P CB -0.042 31.772 31.700 0.190 0.000 0.787 234 T N -3.963 110.666 114.554 0.126 0.000 2.904 234 T HA -0.106 4.623 4.350 0.631 0.000 0.267 234 T C 1.422 176.204 174.700 0.137 0.000 1.059 234 T CA 1.116 63.309 62.100 0.156 0.000 1.137 234 T CB -0.923 68.049 68.868 0.174 0.000 0.879 234 T HN 0.040 nan 8.240 nan 0.000 0.467 235 D N 0.547 121.028 120.400 0.134 0.000 2.084 235 D HA -0.074 4.944 4.640 0.631 0.000 0.194 235 D C 1.717 177.992 176.300 -0.041 0.000 0.990 235 D CA 1.140 55.230 54.000 0.150 0.000 0.826 235 D CB -0.560 40.353 40.800 0.189 0.000 0.971 235 D HN 0.444 nan 8.370 nan 0.000 0.453 236 Y N 1.869 122.014 120.300 -0.257 0.000 2.333 236 Y HA -0.232 4.696 4.550 0.629 0.000 0.290 236 Y C 2.463 178.196 175.900 -0.279 0.000 1.144 236 Y CA 1.570 59.376 58.100 -0.489 0.000 1.228 236 Y CB -0.190 37.737 38.460 -0.888 0.000 0.985 236 Y HN -0.037 nan 8.280 nan 0.000 0.542 237 S N -0.305 115.400 115.700 0.010 0.000 2.440 237 S HA -0.203 4.645 4.470 0.631 0.000 0.238 237 S C 1.809 176.431 174.600 0.037 0.000 1.010 237 S CA 1.447 59.685 58.200 0.063 0.000 0.972 237 S CB -0.962 62.347 63.200 0.183 0.000 0.774 237 S HN 0.560 nan 8.310 nan 0.000 0.501 238 L N 1.009 122.197 121.223 -0.057 0.000 2.362 238 L HA 0.130 4.849 4.340 0.631 0.000 0.219 238 L C 2.239 179.067 176.870 -0.070 0.000 1.134 238 L CA 1.106 55.919 54.840 -0.044 0.000 0.807 238 L CB -0.679 41.313 42.059 -0.111 0.000 0.927 238 L HN 0.559 nan 8.230 nan 0.000 0.447 239 I N -4.945 115.461 120.570 -0.273 0.000 4.018 239 I HA 0.034 4.583 4.170 0.631 0.000 0.337 239 I C 1.844 177.796 176.117 -0.275 0.000 1.327 239 I CA 0.175 61.292 61.300 -0.304 0.000 1.100 239 I CB 0.044 37.766 38.000 -0.464 0.000 1.025 239 I HN 0.127 nan 8.210 nan 0.000 0.396 240 Q N 1.282 120.950 119.800 -0.221 0.000 2.250 240 Q HA 0.064 4.783 4.340 0.631 0.000 0.200 240 Q C 0.544 176.534 176.000 -0.018 0.000 0.941 240 Q CA 0.570 56.311 55.803 -0.103 0.000 0.872 240 Q CB 0.293 29.015 28.738 -0.026 0.000 0.965 240 Q HN 0.529 nan 8.270 nan 0.000 0.480 241 D N 0.937 121.355 120.400 0.030 0.000 2.277 241 D HA 0.041 5.060 4.640 0.631 0.000 0.249 241 D C -1.803 174.491 176.300 -0.010 0.000 1.134 241 D CA -2.047 51.963 54.000 0.016 0.000 0.863 241 D CB 1.724 42.540 40.800 0.026 0.000 1.143 241 D HN -0.076 nan 8.370 nan 0.000 0.458 242 P HA -0.096 nan 4.420 nan 0.000 0.219 242 P C 0.934 178.210 177.300 -0.040 0.000 1.150 242 P CA 0.929 64.008 63.100 -0.035 0.000 0.814 242 P CB 0.550 32.229 31.700 -0.036 0.000 0.787 243 K N -1.193 119.158 120.400 -0.082 0.000 2.062 243 K HA -0.108 4.591 4.320 0.631 0.000 0.205 243 K C 2.353 178.954 176.600 0.003 0.000 1.051 243 K CA 1.196 57.431 56.287 -0.086 0.000 0.941 243 K CB -0.513 31.881 32.500 -0.175 0.000 0.719 243 K HN 0.084 nan 8.250 nan 0.000 0.440 244 Y N 1.118 121.405 120.300 -0.023 0.000 2.224 244 Y HA -0.168 4.759 4.550 0.628 0.000 0.289 244 Y C 2.169 178.040 175.900 -0.049 0.000 1.146 244 Y CA 0.375 58.462 58.100 -0.021 0.000 1.182 244 Y CB -0.725 37.736 38.460 0.001 0.000 0.983 244 Y HN 0.003 nan 8.280 nan 0.000 0.524 245 L N -0.519 120.762 121.223 0.097 0.000 2.046 245 L HA -0.191 4.528 4.340 0.631 0.000 0.208 245 L C 2.254 179.108 176.870 -0.027 0.000 1.077 245 L CA 1.839 56.682 54.840 0.005 0.000 0.747 245 L CB -0.959 41.082 42.059 -0.031 0.000 0.896 245 L HN 0.009 nan 8.230 nan 0.000 0.432 246 S N -0.154 115.528 115.700 -0.030 0.000 2.370 246 S HA -0.169 4.680 4.470 0.631 0.000 0.226 246 S C 1.917 176.446 174.600 -0.119 0.000 1.033 246 S CA 1.983 60.145 58.200 -0.064 0.000 1.011 246 S CB -0.519 62.647 63.200 -0.057 0.000 0.852 246 S HN 0.541 nan 8.310 nan 0.000 0.457 247 I N 0.854 121.349 120.570 -0.125 0.000 2.353 247 I HA -0.084 4.465 4.170 0.631 0.000 0.248 247 I C 2.125 178.010 176.117 -0.388 0.000 1.119 247 I CA 0.548 61.667 61.300 -0.301 0.000 1.417 247 I CB -0.470 37.403 38.000 -0.211 0.000 1.078 247 I HN 0.113 nan 8.210 nan 0.000 0.421 248 V N 1.314 121.143 119.914 -0.142 0.000 2.287 248 V HA -0.320 4.179 4.120 0.631 0.000 0.248 248 V C 2.466 178.494 176.094 -0.110 0.000 1.053 248 V CA 1.975 64.247 62.300 -0.046 0.000 1.027 248 V CB -0.715 31.144 31.823 0.061 0.000 0.646 248 V HN 0.406 nan 8.190 nan 0.000 0.447 249 K N -0.319 120.019 120.400 -0.103 0.000 2.097 249 K HA -0.234 4.465 4.320 0.631 0.000 0.206 249 K C 2.229 178.760 176.600 -0.116 0.000 1.049 249 K CA 1.682 57.919 56.287 -0.083 0.000 0.933 249 K CB -0.186 32.274 32.500 -0.067 0.000 0.717 249 K HN 0.583 nan 8.250 nan 0.000 0.442 250 E N 0.131 120.207 120.200 -0.206 0.000 2.051 250 E HA -0.203 4.526 4.350 0.631 0.000 0.192 250 E C 1.591 178.106 176.600 -0.142 0.000 0.991 250 E CA 1.240 57.514 56.400 -0.209 0.000 0.799 250 E CB 0.019 29.519 29.700 -0.333 0.000 0.748 250 E HN 0.296 nan 8.360 nan 0.000 0.449 251 Y N -0.024 120.124 120.300 -0.252 0.000 2.314 251 Y HA 0.069 4.997 4.550 0.629 0.000 0.293 251 Y C 2.249 177.998 175.900 -0.252 0.000 1.129 251 Y CA 0.610 58.490 58.100 -0.366 0.000 1.201 251 Y CB -0.887 36.970 38.460 -1.004 0.000 0.999 251 Y HN 0.146 nan 8.280 nan 0.000 0.541 252 A N 0.092 122.894 122.820 -0.029 0.000 2.019 252 A HA -0.170 4.529 4.320 0.631 0.000 0.219 252 A C 1.836 179.445 177.584 0.041 0.000 1.164 252 A CA 1.730 53.802 52.037 0.058 0.000 0.644 252 A CB -0.452 18.583 19.000 0.059 0.000 0.805 252 A HN 0.433 nan 8.150 nan 0.000 0.449 253 N N -0.719 117.995 118.700 0.024 0.000 2.205 253 N HA 0.038 5.157 4.740 0.631 0.000 0.201 253 N C -0.874 174.658 175.510 0.036 0.000 1.128 253 N CA 0.248 53.311 53.050 0.021 0.000 0.867 253 N CB 0.722 39.210 38.487 0.001 0.000 0.996 253 N HN 0.344 nan 8.380 nan 0.000 0.503 254 D N 0.558 121.001 120.400 0.072 0.000 2.411 254 D HA 0.123 5.142 4.640 0.631 0.000 0.239 254 D C 0.728 177.107 176.300 0.131 0.000 1.307 254 D CA -0.151 53.901 54.000 0.087 0.000 0.930 254 D CB 0.691 41.548 40.800 0.095 0.000 1.395 254 D HN -0.103 nan 8.370 nan 0.000 0.536 255 Q N 0.844 120.685 119.800 0.067 0.000 2.096 255 Q HA -0.189 4.530 4.340 0.631 0.000 0.204 255 Q C 0.907 176.893 176.000 -0.023 0.000 0.982 255 Q CA 1.708 57.532 55.803 0.036 0.000 0.850 255 Q CB 0.206 28.875 28.738 -0.116 0.000 0.901 255 Q HN 0.429 nan 8.270 nan 0.000 0.422 256 D N 0.489 120.863 120.400 -0.043 0.000 2.117 256 D HA -0.171 4.848 4.640 0.631 0.000 0.198 256 D C 1.798 178.155 176.300 0.095 0.000 0.982 256 D CA 1.117 55.102 54.000 -0.025 0.000 0.828 256 D CB 0.088 40.878 40.800 -0.016 0.000 0.967 256 D HN -0.065 nan 8.370 nan 0.000 0.464 257 K N -0.481 120.003 120.400 0.139 0.000 2.057 257 K HA -0.123 4.576 4.320 0.631 0.000 0.207 257 K C 1.905 178.639 176.600 0.223 0.000 1.049 257 K CA 1.015 57.420 56.287 0.197 0.000 0.931 257 K CB -0.863 31.779 32.500 0.236 0.000 0.714 257 K HN 0.211 nan 8.250 nan 0.000 0.440 258 F N 0.218 120.210 119.950 0.071 0.000 2.095 258 F HA -0.131 4.773 4.527 0.628 0.000 0.298 258 F C 1.628 177.498 175.800 0.117 0.000 1.104 258 F CA 1.357 59.220 58.000 -0.230 0.000 1.232 258 F CB -0.648 38.264 39.000 -0.148 0.000 0.987 258 F HN -0.002 nan 8.300 nan 0.000 0.475 259 F N 1.317 121.062 119.950 -0.342 0.000 2.126 259 F HA -0.158 4.749 4.527 0.633 0.000 0.299 259 F C 2.422 178.094 175.800 -0.214 0.000 1.096 259 F CA 1.668 59.452 58.000 -0.361 0.000 1.255 259 F CB -1.103 37.817 39.000 -0.133 0.000 0.997 259 F HN -0.003 nan 8.300 nan 0.000 0.479 260 K N -0.319 120.132 120.400 0.085 0.000 2.057 260 K HA -0.158 4.541 4.320 0.631 0.000 0.206 260 K C 1.702 178.305 176.600 0.005 0.000 1.050 260 K CA 1.571 57.884 56.287 0.044 0.000 0.935 260 K CB -0.254 32.285 32.500 0.065 0.000 0.715 260 K HN 0.121 nan 8.250 nan 0.000 0.439 261 D N 0.249 120.652 120.400 0.005 0.000 2.149 261 D HA -0.123 4.895 4.640 0.631 0.000 0.201 261 D C 1.574 177.847 176.300 -0.046 0.000 0.972 261 D CA 0.708 54.719 54.000 0.018 0.000 0.835 261 D CB -0.183 40.692 40.800 0.124 0.000 0.966 261 D HN 0.058 nan 8.370 nan 0.000 0.476 262 F N 1.222 120.994 119.950 -0.296 0.000 2.102 262 F HA -0.223 4.683 4.527 0.631 0.000 0.298 262 F C 2.529 178.227 175.800 -0.170 0.000 1.105 262 F CA 1.553 59.383 58.000 -0.283 0.000 1.239 262 F CB -0.283 38.364 39.000 -0.589 0.000 0.991 262 F HN -0.136 nan 8.300 nan 0.000 0.474 263 S N 0.043 115.695 115.700 -0.079 0.000 2.359 263 S HA -0.246 4.603 4.470 0.631 0.000 0.224 263 S C 2.115 176.662 174.600 -0.088 0.000 1.035 263 S CA 1.794 59.952 58.200 -0.070 0.000 1.018 263 S CB -0.390 62.785 63.200 -0.042 0.000 0.876 263 S HN 0.488 nan 8.310 nan 0.000 0.448 264 K N 0.677 121.029 120.400 -0.079 0.000 2.026 264 K HA -0.010 4.689 4.320 0.631 0.000 0.208 264 K C 2.445 178.990 176.600 -0.092 0.000 1.048 264 K CA 1.277 57.524 56.287 -0.067 0.000 0.929 264 K CB -0.409 32.069 32.500 -0.038 0.000 0.713 264 K HN 0.450 nan 8.250 nan 0.000 0.439 265 A N 0.705 123.446 122.820 -0.131 0.000 1.930 265 A HA -0.139 4.560 4.320 0.631 0.000 0.217 265 A C 1.957 179.451 177.584 -0.149 0.000 1.175 265 A CA 1.002 52.960 52.037 -0.133 0.000 0.627 265 A CB -0.540 18.371 19.000 -0.147 0.000 0.815 265 A HN 0.293 nan 8.150 nan 0.000 0.443 266 F N 0.650 120.310 119.950 -0.483 0.000 2.163 266 F HA -0.057 4.847 4.527 0.627 0.000 0.297 266 F C 2.194 177.892 175.800 -0.171 0.000 1.094 266 F CA 1.730 59.475 58.000 -0.426 0.000 1.290 266 F CB -0.245 38.326 39.000 -0.715 0.000 1.017 266 F HN 0.439 nan 8.300 nan 0.000 0.483 267 E N 0.341 120.490 120.200 -0.085 0.000 2.077 267 E HA -0.302 4.426 4.350 0.631 0.000 0.193 267 E C 2.350 178.862 176.600 -0.146 0.000 0.989 267 E CA 1.529 57.861 56.400 -0.112 0.000 0.800 267 E CB -0.244 29.413 29.700 -0.072 0.000 0.746 267 E HN 0.412 nan 8.360 nan 0.000 0.452 268 K N 0.344 120.671 120.400 -0.122 0.000 2.026 268 K HA -0.202 4.497 4.320 0.631 0.000 0.208 268 K C 2.344 178.865 176.600 -0.131 0.000 1.048 268 K CA 1.304 57.523 56.287 -0.112 0.000 0.929 268 K CB -0.248 32.208 32.500 -0.073 0.000 0.713 268 K HN 0.163 nan 8.250 nan 0.000 0.439 269 L N 1.157 122.315 121.223 -0.109 0.000 2.013 269 L HA -0.185 4.534 4.340 0.631 0.000 0.212 269 L C 1.895 178.693 176.870 -0.121 0.000 1.073 269 L CA 1.590 56.396 54.840 -0.056 0.000 0.753 269 L CB -0.443 41.620 42.059 0.007 0.000 0.890 269 L HN 0.196 nan 8.230 nan 0.000 0.432 270 L N -0.697 120.400 121.223 -0.209 0.000 2.376 270 L HA -0.065 4.654 4.340 0.631 0.000 0.219 270 L C 2.187 178.993 176.870 -0.106 0.000 1.133 270 L CA 1.353 56.096 54.840 -0.162 0.000 0.816 270 L CB -0.742 41.193 42.059 -0.208 0.000 0.933 270 L HN 0.411 nan 8.230 nan 0.000 0.449 271 E N -1.779 118.341 120.200 -0.133 0.000 2.489 271 E HA 0.082 4.811 4.350 0.631 0.000 0.204 271 E C 0.115 176.585 176.600 -0.218 0.000 1.006 271 E CA -0.346 56.009 56.400 -0.074 0.000 0.936 271 E CB 0.301 30.006 29.700 0.010 0.000 1.002 271 E HN 0.333 nan 8.360 nan 0.000 0.488 272 N N 0.884 119.328 118.700 -0.427 0.000 2.357 272 N HA -0.033 5.086 4.740 0.631 0.000 0.257 272 N C 0.973 175.839 175.510 -1.074 0.000 1.250 272 N CA 1.515 53.986 53.050 -0.966 0.000 0.862 272 N CB 1.054 38.688 38.487 -1.421 0.000 1.066 272 N HN 0.364 nan 8.380 nan 0.000 0.468 273 G N 1.456 109.728 108.800 -0.880 0.000 2.213 273 G HA2 -0.252 4.087 3.960 0.631 0.000 0.236 273 G HA3 -0.252 4.087 3.960 0.631 0.000 0.236 273 G C 0.116 174.922 174.900 -0.156 0.000 0.991 273 G CA -0.192 44.743 45.100 -0.275 0.000 0.629 273 G HN 0.540 nan 8.290 nan 0.000 0.517 274 I N 2.202 122.627 120.570 -0.242 0.000 2.336 274 I HA 0.391 4.940 4.170 0.631 0.000 0.292 274 I C 0.142 176.012 176.117 -0.412 0.000 0.991 274 I CA -0.530 60.559 61.300 -0.351 0.000 1.227 274 I CB 1.756 39.475 38.000 -0.468 0.000 1.366 274 I HN -0.037 nan 8.210 nan 0.000 0.466 275 T N 6.563 120.880 114.554 -0.395 0.000 2.728 275 T HA 0.397 5.126 4.350 0.631 0.000 0.296 275 T C -0.392 174.067 174.700 -0.400 0.000 0.940 275 T CA -0.139 61.794 62.100 -0.279 0.000 1.013 275 T CB -0.019 68.749 68.868 -0.165 0.000 0.912 275 T HN 0.113 nan 8.240 nan 0.000 0.484 276 F N 4.633 124.546 119.950 -0.062 0.000 2.391 276 F HA 0.374 5.278 4.527 0.629 0.000 0.359 276 F C -1.607 174.161 175.800 -0.053 0.000 1.122 276 F CA -2.512 55.447 58.000 -0.068 0.000 1.120 276 F CB 0.372 39.306 39.000 -0.109 0.000 1.142 276 F HN 0.363 nan 8.300 nan 0.000 0.483 277 P HA 0.110 nan 4.420 nan 0.000 0.268 277 P C 0.801 178.133 177.300 0.053 0.000 1.208 277 P CA 0.024 63.155 63.100 0.052 0.000 0.777 277 P CB 0.577 32.302 31.700 0.041 0.000 0.875 278 K N 1.629 122.046 120.400 0.028 0.000 2.211 278 K HA -0.173 4.526 4.320 0.631 0.000 0.204 278 K C 0.951 177.555 176.600 0.006 0.000 1.047 278 K CA 2.204 58.499 56.287 0.013 0.000 0.935 278 K CB -1.321 31.182 32.500 0.006 0.000 0.728 278 K HN 0.804 nan 8.250 nan 0.000 0.452 279 D N -1.148 119.260 120.400 0.014 0.000 2.388 279 D HA 0.386 5.405 4.640 0.631 0.000 0.221 279 D C 0.514 176.822 176.300 0.013 0.000 1.133 279 D CA 0.173 54.179 54.000 0.009 0.000 0.831 279 D CB -0.429 40.379 40.800 0.014 0.000 0.962 279 D HN 0.455 nan 8.370 nan 0.000 0.502 280 A N 1.628 124.460 122.820 0.019 0.000 2.507 280 A HA 0.403 5.102 4.320 0.631 0.000 0.235 280 A C -1.794 175.762 177.584 -0.047 0.000 1.070 280 A CA -0.816 51.230 52.037 0.015 0.000 0.768 280 A CB -0.383 18.659 19.000 0.069 0.000 1.011 280 A HN 0.135 nan 8.150 nan 0.000 0.502 281 P HA 0.138 nan 4.420 nan 0.000 0.268 281 P C -0.019 177.121 177.300 -0.268 0.000 1.208 281 P CA -0.146 62.884 63.100 -0.118 0.000 0.777 281 P CB 0.237 31.888 31.700 -0.082 0.000 0.875 282 S N 2.600 118.160 115.700 -0.232 0.000 2.569 282 S HA 0.144 4.993 4.470 0.631 0.000 0.274 282 S C -2.015 172.285 174.600 -0.499 0.000 1.353 282 S CA -0.492 57.531 58.200 -0.294 0.000 1.023 282 S CB -0.968 62.123 63.200 -0.182 0.000 0.876 282 S HN 0.423 nan 8.310 nan 0.000 0.540 283 P HA 0.129 nan 4.420 nan 0.000 0.266 283 P C -0.776 176.303 177.300 -0.368 0.000 1.195 283 P CA 0.047 62.834 63.100 -0.523 0.000 0.768 283 P CB 0.169 31.654 31.700 -0.359 0.000 0.838 284 F N 2.094 121.946 119.950 -0.163 0.000 2.396 284 F HA 0.358 5.264 4.527 0.631 0.000 0.343 284 F C 0.902 176.471 175.800 -0.384 0.000 1.104 284 F CA -0.463 57.396 58.000 -0.235 0.000 1.161 284 F CB 0.046 38.881 39.000 -0.274 0.000 1.146 284 F HN 0.085 nan 8.300 nan 0.000 0.522 285 I N 4.472 124.968 120.570 -0.125 0.000 2.390 285 I HA 0.237 4.786 4.170 0.631 0.000 0.283 285 I C -0.849 175.198 176.117 -0.117 0.000 1.016 285 I CA -0.527 60.685 61.300 -0.147 0.000 1.151 285 I CB 0.485 38.446 38.000 -0.064 0.000 1.293 285 I HN 0.271 nan 8.210 nan 0.000 0.458 286 F N 5.118 125.112 119.950 0.074 0.000 2.429 286 F HA 0.307 5.212 4.527 0.630 0.000 0.348 286 F C 0.957 176.578 175.800 -0.299 0.000 1.109 286 F CA -0.488 57.376 58.000 -0.227 0.000 1.232 286 F CB 0.476 39.031 39.000 -0.742 0.000 1.157 286 F HN 0.273 nan 8.300 nan 0.000 0.564 287 K N 1.304 121.667 120.400 -0.062 0.000 2.270 287 K HA 0.266 4.965 4.320 0.631 0.000 0.276 287 K C 0.364 176.881 176.600 -0.138 0.000 1.023 287 K CA -0.509 55.745 56.287 -0.054 0.000 0.955 287 K CB 0.707 33.221 32.500 0.023 0.000 0.975 287 K HN 0.768 nan 8.250 nan 0.000 0.471 288 T N -0.727 113.841 114.554 0.023 0.000 2.766 288 T HA 0.113 4.842 4.350 0.631 0.000 0.295 288 T C 1.604 176.401 174.700 0.163 0.000 1.024 288 T CA -0.596 61.607 62.100 0.171 0.000 1.018 288 T CB 0.436 69.402 68.868 0.163 0.000 1.002 288 T HN 0.461 nan 8.240 nan 0.000 0.532 289 L N 0.056 121.405 121.223 0.209 0.000 2.042 289 L HA -0.090 4.629 4.340 0.631 0.000 0.210 289 L C 3.076 180.002 176.870 0.093 0.000 1.076 289 L CA 2.015 56.936 54.840 0.134 0.000 0.749 289 L CB -0.699 41.426 42.059 0.110 0.000 0.893 289 L HN 0.906 nan 8.230 nan 0.000 0.432 290 E N 0.586 120.840 120.200 0.091 0.000 2.085 290 E HA -0.267 4.462 4.350 0.631 0.000 0.194 290 E C 1.966 178.604 176.600 0.063 0.000 0.994 290 E CA 1.489 57.932 56.400 0.071 0.000 0.801 290 E CB 0.051 29.794 29.700 0.072 0.000 0.743 290 E HN 0.498 nan 8.360 nan 0.000 0.453 291 E N -0.107 120.133 120.200 0.066 0.000 2.204 291 E HA -0.190 4.539 4.350 0.631 0.000 0.195 291 E C 1.925 178.555 176.600 0.050 0.000 0.990 291 E CA 0.935 57.368 56.400 0.054 0.000 0.821 291 E CB 0.059 29.790 29.700 0.052 0.000 0.750 291 E HN 0.381 nan 8.360 nan 0.000 0.477 292 Q N -0.815 119.018 119.800 0.054 0.000 2.403 292 Q HA 0.090 4.808 4.340 0.631 0.000 0.203 292 Q C 0.846 176.873 176.000 0.044 0.000 0.932 292 Q CA 0.368 56.200 55.803 0.049 0.000 0.945 292 Q CB 0.889 29.658 28.738 0.052 0.000 1.045 292 Q HN 0.345 nan 8.270 nan 0.000 0.511 293 G N 1.042 109.869 108.800 0.045 0.000 2.176 293 G HA2 -0.270 4.069 3.960 0.631 0.000 0.252 293 G HA3 -0.270 4.069 3.960 0.631 0.000 0.252 293 G C -0.091 174.833 174.900 0.040 0.000 1.024 293 G CA 0.173 45.297 45.100 0.040 0.000 0.755 293 G HN 0.220 nan 8.290 nan 0.000 0.507 294 L N 0.000 121.251 121.223 0.047 0.000 2.949 294 L HA 0.000 4.719 4.340 0.631 0.000 0.249 294 L CA 0.000 54.867 54.840 0.045 0.000 0.813 294 L CB 0.000 42.089 42.059 0.050 0.000 0.961 294 L HN 0.000 nan 8.230 nan 0.000 0.502