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 2jdz_1_A DATA FIRST_RESID 3 DATA SEQUENCE ADTIVAVELD SYPNTDIGDP SYPHIGIDIK SIRSKSTARW NMQTGKVGTA DATA SEQUENCE HISYNSVAKR LSAVVSYSGT SSTTVSYDVD LNNVLPEWVR VGLSATTGLY DATA SEQUENCE KETNTILSWS FTSKLKTNXX ADANSLHFSF SQFSQNPKDL ILQSDATTDS DATA SEQUENCE DGNLQLTRVS SDGSPQGSSV GRALFYAPVH IWEKSAVVAS FDATFTFLIK DATA SEQUENCE SPDRDPADGI TFFIANTDTS IPSGSGGRLL GLFPDAN 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 3 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.590 177.584 0.010 0.000 1.274 3 A CA 0.000 52.043 52.037 0.010 0.000 0.836 3 A CB 0.000 19.015 19.000 0.025 0.000 0.831 4 D N 1.208 121.604 120.400 -0.007 0.000 2.378 4 D HA 0.409 4.941 4.640 -0.179 0.000 0.238 4 D C 0.104 176.413 176.300 0.015 0.000 1.180 4 D CA 0.916 54.910 54.000 -0.011 0.000 0.895 4 D CB 0.576 41.342 40.800 -0.056 0.000 1.192 4 D HN 0.402 nan 8.370 nan 0.000 0.438 5 T N 2.030 116.599 114.554 0.025 0.000 2.743 5 T HA 0.425 4.668 4.350 -0.179 0.000 0.292 5 T C 0.026 174.750 174.700 0.041 0.000 0.972 5 T CA -0.598 61.531 62.100 0.048 0.000 0.967 5 T CB 0.533 69.431 68.868 0.051 0.000 0.926 5 T HN 0.105 nan 8.240 nan 0.000 0.459 6 I N 3.824 124.432 120.570 0.064 0.000 2.465 6 I HA 0.480 4.543 4.170 -0.179 0.000 0.291 6 I C -0.384 175.799 176.117 0.110 0.000 1.014 6 I CA -0.975 60.347 61.300 0.037 0.000 1.093 6 I CB 1.856 39.740 38.000 -0.193 0.000 1.267 6 I HN 0.307 nan 8.210 nan 0.000 0.431 7 V N 4.996 124.960 119.914 0.084 0.000 2.487 7 V HA 0.886 4.898 4.120 -0.179 0.000 0.298 7 V C 0.030 176.189 176.094 0.108 0.000 1.028 7 V CA -0.448 61.915 62.300 0.105 0.000 0.860 7 V CB 1.764 33.633 31.823 0.077 0.000 0.991 7 V HN 0.931 nan 8.190 nan 0.000 0.427 8 A N 4.044 126.957 122.820 0.155 0.000 2.587 8 A HA 0.900 5.113 4.320 -0.179 0.000 0.293 8 A C -1.470 176.230 177.584 0.193 0.000 1.087 8 A CA -0.581 51.554 52.037 0.164 0.000 0.692 8 A CB 2.232 21.308 19.000 0.127 0.000 1.291 8 A HN 0.606 nan 8.150 nan 0.000 0.407 9 V N 2.303 122.356 119.914 0.232 0.000 2.350 9 V HA 0.391 4.404 4.120 -0.179 0.000 0.285 9 V C -0.228 175.945 176.094 0.131 0.000 1.014 9 V CA -0.346 62.072 62.300 0.197 0.000 0.831 9 V CB 1.191 33.176 31.823 0.271 0.000 1.000 9 V HN 0.980 nan 8.190 nan 0.000 0.433 10 E N 6.250 126.486 120.200 0.060 0.000 2.191 10 E HA 0.635 4.878 4.350 -0.179 0.000 0.278 10 E C -1.131 175.389 176.600 -0.133 0.000 0.972 10 E CA -0.809 55.586 56.400 -0.008 0.000 0.804 10 E CB 1.776 31.489 29.700 0.022 0.000 1.110 10 E HN 0.530 nan 8.360 nan 0.000 0.394 11 L N 3.142 124.230 121.223 -0.225 0.000 2.272 11 L HA 0.332 4.565 4.340 -0.179 0.000 0.284 11 L C -0.377 176.392 176.870 -0.168 0.000 1.045 11 L CA -0.756 53.786 54.840 -0.496 0.000 0.842 11 L CB 0.499 42.066 42.059 -0.821 0.000 1.224 11 L HN 0.661 nan 8.230 nan 0.000 0.430 12 D N 1.665 121.983 120.400 -0.137 0.000 2.412 12 D HA 0.142 4.675 4.640 -0.179 0.000 0.224 12 D C 1.038 177.422 176.300 0.140 0.000 1.093 12 D CA -0.195 53.749 54.000 -0.094 0.000 0.850 12 D CB 1.687 42.205 40.800 -0.469 0.000 1.046 12 D HN 0.522 nan 8.370 nan 0.000 0.507 13 S N 3.122 118.990 115.700 0.279 0.000 2.478 13 S HA -0.024 4.338 4.470 -0.179 0.000 0.222 13 S C 0.635 175.347 174.600 0.186 0.000 1.008 13 S CA 0.061 58.416 58.200 0.258 0.000 0.928 13 S CB -0.011 63.322 63.200 0.222 0.000 0.781 13 S HN 0.517 nan 8.310 nan 0.000 0.518 14 Y N 3.145 123.489 120.300 0.073 0.000 2.328 14 Y HA 0.531 4.973 4.550 -0.179 0.000 0.333 14 Y C -3.178 172.775 175.900 0.089 0.000 0.958 14 Y CA -2.670 55.464 58.100 0.057 0.000 1.167 14 Y CB 1.664 40.160 38.460 0.060 0.000 1.151 14 Y HN 0.014 nan 8.280 nan 0.000 0.470 15 P HA 0.207 nan 4.420 nan 0.000 0.281 15 P C -1.499 175.691 177.300 -0.183 0.000 1.286 15 P CA -0.138 62.869 63.100 -0.155 0.000 0.772 15 P CB 0.441 32.012 31.700 -0.214 0.000 0.862 16 N N 1.145 119.859 118.700 0.024 0.000 2.817 16 N HA 0.105 4.738 4.740 -0.179 0.000 0.234 16 N C 1.214 176.723 175.510 -0.002 0.000 1.066 16 N CA -0.350 52.739 53.050 0.066 0.000 0.926 16 N CB 0.286 38.859 38.487 0.143 0.000 1.176 16 N HN 0.324 nan 8.380 nan 0.000 0.506 17 T N -2.004 112.523 114.554 -0.045 0.000 2.867 17 T HA -0.206 4.036 4.350 -0.179 0.000 0.268 17 T C 1.304 175.979 174.700 -0.041 0.000 1.057 17 T CA 1.016 63.075 62.100 -0.068 0.000 1.136 17 T CB -0.159 68.661 68.868 -0.080 0.000 0.874 17 T HN 0.367 nan 8.240 nan 0.000 0.466 18 D N 3.178 123.570 120.400 -0.013 0.000 2.191 18 D HA -0.213 4.320 4.640 -0.179 0.000 0.190 18 D C 1.774 178.066 176.300 -0.014 0.000 1.007 18 D CA 1.762 55.760 54.000 -0.003 0.000 0.865 18 D CB -0.613 40.199 40.800 0.020 0.000 0.929 18 D HN 0.770 nan 8.370 nan 0.000 0.447 19 I N -4.946 115.617 120.570 -0.012 0.000 3.856 19 I HA 0.610 4.672 4.170 -0.179 0.000 0.333 19 I C 1.223 177.311 176.117 -0.048 0.000 1.525 19 I CA -0.033 61.252 61.300 -0.025 0.000 1.173 19 I CB 0.890 38.883 38.000 -0.013 0.000 1.175 19 I HN 0.121 nan 8.210 nan 0.000 0.424 20 G N 0.342 109.104 108.800 -0.063 0.000 2.213 20 G HA2 -0.241 3.611 3.960 -0.179 0.000 0.226 20 G HA3 -0.241 3.611 3.960 -0.179 0.000 0.226 20 G C -0.165 174.649 174.900 -0.142 0.000 0.992 20 G CA -0.025 45.019 45.100 -0.094 0.000 0.632 20 G HN 0.462 nan 8.290 nan 0.000 0.511 21 D N 3.078 123.400 120.400 -0.130 0.000 2.488 21 D HA 0.369 4.901 4.640 -0.179 0.000 0.238 21 D C -1.270 174.815 176.300 -0.358 0.000 1.138 21 D CA -0.452 53.408 54.000 -0.234 0.000 0.873 21 D CB 1.025 41.805 40.800 -0.034 0.000 1.183 21 D HN 0.277 nan 8.370 nan 0.000 0.458 22 P HA -0.008 nan 4.420 nan 0.000 0.271 22 P C 0.174 177.069 177.300 -0.675 0.000 1.244 22 P CA -0.253 62.408 63.100 -0.732 0.000 0.793 22 P CB 0.395 31.349 31.700 -1.242 0.000 0.984 23 S N -0.747 114.606 115.700 -0.578 0.000 2.840 23 S HA 0.135 4.498 4.470 -0.179 0.000 0.235 23 S C 0.003 174.535 174.600 -0.113 0.000 0.968 23 S CA -0.246 57.799 58.200 -0.258 0.000 1.026 23 S CB -1.560 61.586 63.200 -0.090 0.000 0.788 23 S HN 0.477 nan 8.310 nan 0.000 0.487 24 Y N -3.863 116.446 120.300 0.015 0.000 2.638 24 Y HA 0.774 5.217 4.550 -0.179 0.000 0.335 24 Y C -3.500 172.514 175.900 0.189 0.000 1.155 24 Y CA -3.513 54.619 58.100 0.053 0.000 1.046 24 Y CB -0.221 38.271 38.460 0.053 0.000 1.303 24 Y HN -0.175 nan 8.280 nan 0.000 0.460 25 P HA 0.141 nan 4.420 nan 0.000 0.265 25 P C -0.913 176.765 177.300 0.629 0.000 1.193 25 P CA 0.804 64.116 63.100 0.353 0.000 0.765 25 P CB 0.179 31.925 31.700 0.077 0.000 0.823 26 H N 1.565 120.971 119.070 0.560 0.000 3.037 26 H HA 0.508 4.957 4.556 -0.179 0.000 0.355 26 H C -0.900 174.598 175.328 0.283 0.000 1.263 26 H CA -1.175 55.153 56.048 0.466 0.000 1.129 26 H CB 0.720 30.677 29.762 0.326 0.000 1.861 26 H HN 0.299 nan 8.280 nan 0.000 0.546 27 I N -0.228 120.456 120.570 0.189 0.000 2.498 27 I HA 0.864 4.927 4.170 -0.179 0.000 0.301 27 I C -0.123 176.072 176.117 0.131 0.000 0.984 27 I CA -0.714 60.562 61.300 -0.039 0.000 1.204 27 I CB 1.996 39.885 38.000 -0.185 0.000 1.362 27 I HN 0.755 nan 8.210 nan 0.000 0.471 28 G N 5.265 114.121 108.800 0.093 0.000 2.690 28 G HA2 0.675 4.527 3.960 -0.179 0.000 0.293 28 G HA3 0.675 4.527 3.960 -0.179 0.000 0.293 28 G C -1.453 173.495 174.900 0.080 0.000 1.399 28 G CA -0.836 44.340 45.100 0.125 0.000 0.890 28 G HN 0.649 nan 8.290 nan 0.000 0.485 29 I N 1.485 122.085 120.570 0.050 0.000 2.330 29 I HA 0.247 4.310 4.170 -0.179 0.000 0.289 29 I C -1.053 175.052 176.117 -0.021 0.000 1.001 29 I CA -0.700 60.627 61.300 0.045 0.000 1.193 29 I CB 1.736 39.773 38.000 0.062 0.000 1.345 29 I HN 0.206 nan 8.210 nan 0.000 0.461 30 D N 7.998 128.428 120.400 0.049 0.000 2.329 30 D HA 0.372 4.905 4.640 -0.179 0.000 0.232 30 D C -0.246 176.103 176.300 0.083 0.000 1.088 30 D CA -0.165 53.863 54.000 0.046 0.000 0.835 30 D CB 1.922 42.821 40.800 0.166 0.000 1.078 30 D HN 0.164 nan 8.370 nan 0.000 0.495 31 I N 2.756 123.329 120.570 0.006 0.000 2.337 31 I HA 0.122 4.184 4.170 -0.179 0.000 0.285 31 I C 0.871 177.019 176.117 0.050 0.000 1.041 31 I CA -0.364 60.969 61.300 0.055 0.000 1.199 31 I CB 0.473 38.505 38.000 0.054 0.000 1.370 31 I HN 0.435 nan 8.210 nan 0.000 0.470 32 K N 1.977 122.469 120.400 0.154 0.000 3.274 32 K HA -0.191 4.021 4.320 -0.179 0.000 0.300 32 K C 0.164 176.771 176.600 0.012 0.000 1.230 32 K CA 0.934 57.327 56.287 0.177 0.000 0.884 32 K CB -0.928 31.628 32.500 0.094 0.000 1.242 32 K HN 0.680 nan 8.250 nan 0.000 0.467 33 S N -0.682 114.811 115.700 -0.345 0.000 2.558 33 S HA 0.382 4.745 4.470 -0.179 0.000 0.277 33 S C 0.042 173.953 174.600 -1.148 0.000 1.143 33 S CA -0.737 56.962 58.200 -0.835 0.000 0.865 33 S CB 1.518 64.498 63.200 -0.366 0.000 1.102 33 S HN 0.136 nan 8.310 nan 0.000 0.454 34 I N 2.885 122.677 120.570 -1.297 0.000 2.756 34 I HA 0.179 4.242 4.170 -0.179 0.000 0.262 34 I C 1.022 176.978 176.117 -0.269 0.000 1.225 34 I CA 0.957 61.884 61.300 -0.622 0.000 1.472 34 I CB -0.217 37.587 38.000 -0.328 0.000 1.094 34 I HN 0.559 nan 8.210 nan 0.000 0.454 35 R N 1.020 121.353 120.500 -0.279 0.000 2.308 35 R HA 0.253 4.486 4.340 -0.179 0.000 0.325 35 R C 0.325 176.530 176.300 -0.158 0.000 1.161 35 R CA -0.188 55.810 56.100 -0.171 0.000 1.022 35 R CB 0.076 30.284 30.300 -0.153 0.000 1.091 35 R HN 0.169 nan 8.270 nan 0.000 0.497 36 S N 2.612 118.245 115.700 -0.112 0.000 2.558 36 S HA -0.010 4.352 4.470 -0.179 0.000 0.288 36 S C 1.267 175.763 174.600 -0.172 0.000 1.318 36 S CA -0.223 57.912 58.200 -0.108 0.000 1.056 36 S CB 0.785 63.967 63.200 -0.030 0.000 0.853 36 S HN 0.463 nan 8.310 nan 0.000 0.505 37 K N 0.997 121.222 120.400 -0.292 0.000 2.217 37 K HA 0.095 4.307 4.320 -0.179 0.000 0.202 37 K C 0.624 177.009 176.600 -0.358 0.000 1.051 37 K CA 0.552 56.544 56.287 -0.492 0.000 0.952 37 K CB 0.052 31.827 32.500 -1.209 0.000 0.736 37 K HN 0.422 nan 8.250 nan 0.000 0.453 38 S N 0.300 115.866 115.700 -0.224 0.000 2.546 38 S HA 0.342 4.705 4.470 -0.179 0.000 0.272 38 S C -1.020 173.589 174.600 0.015 0.000 1.140 38 S CA -0.691 57.482 58.200 -0.045 0.000 0.920 38 S CB 1.738 64.968 63.200 0.051 0.000 1.083 38 S HN 0.307 nan 8.310 nan 0.000 0.476 39 T N 0.521 115.107 114.554 0.054 0.000 2.896 39 T HA 0.934 5.177 4.350 -0.179 0.000 0.297 39 T C -0.803 173.988 174.700 0.152 0.000 1.108 39 T CA -0.804 61.361 62.100 0.109 0.000 1.004 39 T CB 1.667 70.565 68.868 0.050 0.000 1.159 39 T HN 1.054 nan 8.240 nan 0.000 0.499 40 A N 1.354 124.306 122.820 0.220 0.000 2.520 40 A HA 0.772 4.985 4.320 -0.179 0.000 0.298 40 A C -0.269 177.516 177.584 0.335 0.000 1.051 40 A CA -1.040 51.131 52.037 0.222 0.000 0.690 40 A CB 1.541 20.632 19.000 0.151 0.000 1.281 40 A HN 1.081 nan 8.150 nan 0.000 0.402 41 R N 1.076 121.731 120.500 0.258 0.000 2.570 41 R HA 0.179 4.411 4.340 -0.179 0.000 0.277 41 R C -1.153 175.329 176.300 0.304 0.000 1.039 41 R CA 0.114 56.329 56.100 0.192 0.000 1.065 41 R CB 0.385 30.476 30.300 -0.348 0.000 0.964 41 R HN 0.717 nan 8.270 nan 0.000 0.428 42 W N 6.034 127.431 121.300 0.161 0.000 2.362 42 W HA 0.264 4.818 4.660 -0.177 0.000 0.316 42 W C -1.039 175.567 176.519 0.145 0.000 1.024 42 W CA -1.409 56.031 57.345 0.158 0.000 1.270 42 W CB 0.607 30.170 29.460 0.173 0.000 1.273 42 W HN 0.589 nan 8.180 nan 0.000 0.424 43 N N 6.659 125.484 118.700 0.208 0.000 2.819 43 N HA 0.019 4.651 4.740 -0.179 0.000 0.284 43 N C 0.177 175.585 175.510 -0.170 0.000 1.196 43 N CA -0.105 52.946 53.050 0.003 0.000 1.114 43 N CB 0.087 38.614 38.487 0.066 0.000 1.437 43 N HN 0.414 nan 8.380 nan 0.000 0.518 44 M N 1.982 121.239 119.600 -0.571 0.000 2.252 44 M HA -0.074 4.299 4.480 -0.179 0.000 0.348 44 M C 0.035 176.033 176.300 -0.504 0.000 1.334 44 M CA 0.597 55.406 55.300 -0.819 0.000 1.071 44 M CB 0.403 32.402 32.600 -1.002 0.000 1.763 44 M HN 0.217 nan 8.290 nan 0.000 0.452 45 Q N 3.392 122.789 119.800 -0.672 0.000 2.706 45 Q HA 0.267 4.500 4.340 -0.179 0.000 0.250 45 Q C -1.008 174.770 176.000 -0.370 0.000 1.120 45 Q CA -0.131 55.258 55.803 -0.690 0.000 0.972 45 Q CB 0.812 28.784 28.738 -1.278 0.000 1.173 45 Q HN 0.675 nan 8.270 nan 0.000 0.522 46 T N 0.688 115.115 114.554 -0.211 0.000 2.908 46 T HA 0.312 4.555 4.350 -0.179 0.000 0.301 46 T C 1.207 175.875 174.700 -0.054 0.000 1.019 46 T CA 1.132 63.184 62.100 -0.079 0.000 1.152 46 T CB 0.670 69.501 68.868 -0.061 0.000 0.966 46 T HN 0.850 nan 8.240 nan 0.000 0.540 47 G N 2.516 111.323 108.800 0.011 0.000 2.195 47 G HA2 -0.194 3.659 3.960 -0.179 0.000 0.246 47 G HA3 -0.194 3.659 3.960 -0.179 0.000 0.246 47 G C 0.127 175.036 174.900 0.015 0.000 0.984 47 G CA -0.229 44.881 45.100 0.016 0.000 0.633 47 G HN 0.581 nan 8.290 nan 0.000 0.525 48 K N 0.451 120.850 120.400 -0.002 0.000 2.156 48 K HA 0.640 4.852 4.320 -0.179 0.000 0.254 48 K C 0.313 176.977 176.600 0.107 0.000 0.950 48 K CA -0.780 55.518 56.287 0.018 0.000 0.849 48 K CB 2.370 34.827 32.500 -0.072 0.000 1.100 48 K HN 0.080 nan 8.250 nan 0.000 0.434 49 V N 2.111 122.071 119.914 0.076 0.000 2.479 49 V HA 0.158 4.171 4.120 -0.179 0.000 0.281 49 V C 0.980 177.021 176.094 -0.087 0.000 1.031 49 V CA -0.021 62.271 62.300 -0.013 0.000 1.038 49 V CB 0.633 32.453 31.823 -0.006 0.000 0.981 49 V HN 0.853 nan 8.190 nan 0.000 0.478 50 G N 3.770 112.198 108.800 -0.619 0.000 2.491 50 G HA2 0.674 4.527 3.960 -0.179 0.000 0.327 50 G HA3 0.674 4.527 3.960 -0.179 0.000 0.327 50 G C -0.542 173.834 174.900 -0.873 0.000 1.189 50 G CA -0.397 44.010 45.100 -1.155 0.000 0.956 50 G HN 0.620 nan 8.290 nan 0.000 0.491 51 T N -0.380 113.885 114.554 -0.483 0.000 2.912 51 T HA 0.673 4.915 4.350 -0.179 0.000 0.299 51 T C -0.417 174.204 174.700 -0.132 0.000 1.052 51 T CA -0.180 61.799 62.100 -0.202 0.000 0.996 51 T CB 1.837 70.630 68.868 -0.124 0.000 1.070 51 T HN 0.971 nan 8.240 nan 0.000 0.465 52 A N 2.447 125.084 122.820 -0.305 0.000 2.355 52 A HA 0.761 4.974 4.320 -0.179 0.000 0.317 52 A C -1.051 176.382 177.584 -0.252 0.000 1.094 52 A CA -0.657 51.119 52.037 -0.435 0.000 0.764 52 A CB 1.035 19.398 19.000 -1.060 0.000 1.230 52 A HN 0.904 nan 8.150 nan 0.000 0.448 53 H N 2.082 121.039 119.070 -0.188 0.000 2.679 53 H HA 0.719 5.163 4.556 -0.185 0.000 0.360 53 H C -2.137 173.160 175.328 -0.050 0.000 1.105 53 H CA -0.576 55.414 56.048 -0.096 0.000 1.196 53 H CB 1.316 31.038 29.762 -0.068 0.000 1.636 53 H HN 0.496 nan 8.280 nan 0.000 0.531 54 I N 3.449 123.703 120.570 -0.526 0.000 2.619 54 I HA 0.307 4.369 4.170 -0.179 0.000 0.292 54 I C -0.602 175.324 176.117 -0.318 0.000 1.100 54 I CA -0.302 60.864 61.300 -0.224 0.000 1.043 54 I CB 2.186 40.165 38.000 -0.036 0.000 1.239 54 I HN 0.687 nan 8.210 nan 0.000 0.420 55 S N 4.208 119.828 115.700 -0.133 0.000 2.579 55 S HA 0.833 5.196 4.470 -0.179 0.000 0.272 55 S C -1.493 172.986 174.600 -0.201 0.000 1.141 55 S CA -0.827 57.258 58.200 -0.192 0.000 0.843 55 S CB 2.179 65.318 63.200 -0.101 0.000 1.122 55 S HN 0.634 nan 8.310 nan 0.000 0.468 56 Y N 1.495 121.416 120.300 -0.632 0.000 2.521 56 Y HA 0.603 5.044 4.550 -0.182 0.000 0.332 56 Y C -1.688 173.934 175.900 -0.464 0.000 1.121 56 Y CA -0.440 57.297 58.100 -0.606 0.000 1.037 56 Y CB 1.499 39.345 38.460 -1.022 0.000 1.330 56 Y HN 1.229 nan 8.280 nan 0.000 0.452 57 N N 0.105 118.217 118.700 -0.980 0.000 2.416 57 N HA 0.378 5.011 4.740 -0.179 0.000 0.276 57 N C -0.602 174.334 175.510 -0.956 0.000 1.261 57 N CA -0.207 52.385 53.050 -0.763 0.000 0.790 57 N CB 1.809 40.085 38.487 -0.351 0.000 1.554 57 N HN 0.430 nan 8.380 nan 0.000 0.481 58 S N -0.508 114.934 115.700 -0.429 0.000 2.527 58 S HA 0.010 4.372 4.470 -0.179 0.000 0.222 58 S C 1.165 175.647 174.600 -0.197 0.000 0.985 58 S CA 0.509 58.555 58.200 -0.257 0.000 0.921 58 S CB -0.391 62.821 63.200 0.020 0.000 0.772 58 S HN 0.356 nan 8.310 nan 0.000 0.529 59 V N 1.942 121.748 119.914 -0.181 0.000 2.331 59 V HA 0.122 4.134 4.120 -0.179 0.000 0.242 59 V C 3.085 179.087 176.094 -0.154 0.000 1.034 59 V CA 1.444 63.673 62.300 -0.119 0.000 1.027 59 V CB -1.308 30.468 31.823 -0.079 0.000 0.667 59 V HN 0.603 nan 8.190 nan 0.000 0.457 60 A N -0.948 121.745 122.820 -0.211 0.000 1.969 60 A HA -0.119 4.094 4.320 -0.179 0.000 0.218 60 A C 1.291 178.756 177.584 -0.198 0.000 1.169 60 A CA 1.096 53.020 52.037 -0.188 0.000 0.635 60 A CB -0.372 18.513 19.000 -0.193 0.000 0.810 60 A HN 0.598 nan 8.150 nan 0.000 0.445 61 K N -1.534 118.675 120.400 -0.318 0.000 3.150 61 K HA -0.194 4.019 4.320 -0.179 0.000 0.267 61 K C -0.099 176.488 176.600 -0.021 0.000 1.028 61 K CA 1.034 57.219 56.287 -0.170 0.000 0.753 61 K CB -1.398 31.067 32.500 -0.058 0.000 1.288 61 K HN 0.635 nan 8.250 nan 0.000 0.473 62 R N 1.302 121.758 120.500 -0.073 0.000 2.500 62 R HA 0.302 4.534 4.340 -0.179 0.000 0.299 62 R C -1.342 175.057 176.300 0.165 0.000 1.038 62 R CA -0.844 55.282 56.100 0.044 0.000 0.903 62 R CB 0.895 31.177 30.300 -0.030 0.000 1.177 62 R HN 0.156 nan 8.270 nan 0.000 0.455 63 L N 3.205 124.597 121.223 0.283 0.000 2.281 63 L HA 0.516 4.749 4.340 -0.179 0.000 0.285 63 L C -1.141 175.847 176.870 0.197 0.000 1.074 63 L CA 0.610 55.625 54.840 0.293 0.000 0.817 63 L CB 1.570 43.799 42.059 0.283 0.000 1.168 63 L HN 0.609 nan 8.230 nan 0.000 0.434 64 S N 3.471 119.261 115.700 0.149 0.000 2.548 64 S HA 0.964 5.327 4.470 -0.179 0.000 0.286 64 S C -0.970 173.704 174.600 0.122 0.000 1.098 64 S CA -0.399 57.875 58.200 0.123 0.000 0.930 64 S CB 1.873 65.128 63.200 0.092 0.000 1.070 64 S HN 0.940 nan 8.310 nan 0.000 0.480 65 A N 1.245 124.131 122.820 0.111 0.000 2.486 65 A HA 0.868 5.081 4.320 -0.179 0.000 0.300 65 A C -1.398 176.226 177.584 0.066 0.000 1.048 65 A CA -0.777 51.314 52.037 0.090 0.000 0.696 65 A CB 1.634 20.680 19.000 0.076 0.000 1.278 65 A HN 0.842 nan 8.150 nan 0.000 0.405 66 V N 2.511 122.460 119.914 0.058 0.000 2.709 66 V HA 0.746 4.759 4.120 -0.179 0.000 0.308 66 V C -1.332 174.734 176.094 -0.046 0.000 1.062 66 V CA -0.409 61.900 62.300 0.015 0.000 0.901 66 V CB 1.968 33.804 31.823 0.022 0.000 1.003 66 V HN 0.928 nan 8.190 nan 0.000 0.425 67 V N 5.866 125.734 119.914 -0.076 0.000 2.604 67 V HA 0.894 4.906 4.120 -0.179 0.000 0.305 67 V C -0.162 175.891 176.094 -0.067 0.000 1.043 67 V CA -0.005 62.223 62.300 -0.119 0.000 0.888 67 V CB 1.966 33.638 31.823 -0.252 0.000 0.995 67 V HN 1.148 nan 8.190 nan 0.000 0.429 68 S N 3.542 119.143 115.700 -0.165 0.000 2.556 68 S HA 0.844 5.206 4.470 -0.179 0.000 0.271 68 S C -1.637 172.768 174.600 -0.325 0.000 1.135 68 S CA -0.773 57.356 58.200 -0.119 0.000 0.858 68 S CB 1.750 64.921 63.200 -0.049 0.000 1.114 68 S HN 0.451 nan 8.310 nan 0.000 0.468 69 Y N 0.251 120.590 120.300 0.065 0.000 2.570 69 Y HA 0.674 5.118 4.550 -0.176 0.000 0.345 69 Y C 0.802 176.708 175.900 0.009 0.000 1.014 69 Y CA -0.961 57.150 58.100 0.017 0.000 1.063 69 Y CB 1.823 40.301 38.460 0.030 0.000 1.272 69 Y HN 0.832 nan 8.280 nan 0.000 0.477 70 S N 1.112 116.904 115.700 0.154 0.000 2.575 70 S HA 0.279 4.642 4.470 -0.179 0.000 0.295 70 S C 1.159 175.812 174.600 0.088 0.000 1.267 70 S CA 0.987 59.239 58.200 0.088 0.000 1.074 70 S CB -0.594 62.641 63.200 0.059 0.000 0.829 70 S HN 1.415 nan 8.310 nan 0.000 0.497 71 G N 3.155 111.993 108.800 0.064 0.000 2.168 71 G HA2 -0.227 3.626 3.960 -0.179 0.000 0.257 71 G HA3 -0.227 3.626 3.960 -0.179 0.000 0.257 71 G C 0.233 175.168 174.900 0.059 0.000 0.997 71 G CA 0.528 45.658 45.100 0.049 0.000 0.708 71 G HN 1.046 nan 8.290 nan 0.000 0.520 72 T N -0.767 113.844 114.554 0.095 0.000 2.907 72 T HA 0.641 4.884 4.350 -0.179 0.000 0.290 72 T C 0.526 175.292 174.700 0.110 0.000 1.066 72 T CA 0.404 62.568 62.100 0.107 0.000 1.012 72 T CB 1.517 70.476 68.868 0.151 0.000 1.184 72 T HN 0.280 nan 8.240 nan 0.000 0.522 73 S N 1.839 117.600 115.700 0.103 0.000 2.549 73 S HA 0.306 4.669 4.470 -0.179 0.000 0.283 73 S C 0.208 174.887 174.600 0.131 0.000 1.320 73 S CA -0.302 57.954 58.200 0.094 0.000 1.058 73 S CB 0.389 63.635 63.200 0.077 0.000 0.882 73 S HN 0.678 nan 8.310 nan 0.000 0.498 74 S N 2.153 117.911 115.700 0.096 0.000 2.603 74 S HA 0.368 4.731 4.470 -0.179 0.000 0.268 74 S C 0.124 174.789 174.600 0.110 0.000 1.317 74 S CA -0.566 57.690 58.200 0.093 0.000 1.012 74 S CB 0.875 64.101 63.200 0.044 0.000 0.926 74 S HN 0.709 nan 8.310 nan 0.000 0.539 75 T N 2.405 117.028 114.554 0.115 0.000 2.792 75 T HA 0.582 4.825 4.350 -0.179 0.000 0.280 75 T C -0.056 174.681 174.700 0.061 0.000 0.990 75 T CA -0.766 61.403 62.100 0.115 0.000 0.960 75 T CB 1.211 70.183 68.868 0.174 0.000 0.939 75 T HN 0.713 nan 8.240 nan 0.000 0.439 76 T N -0.170 114.421 114.554 0.062 0.000 2.885 76 T HA 0.823 5.066 4.350 -0.179 0.000 0.285 76 T C -0.660 174.082 174.700 0.069 0.000 1.019 76 T CA -0.886 61.246 62.100 0.054 0.000 1.010 76 T CB 1.832 70.729 68.868 0.049 0.000 1.022 76 T HN 0.447 nan 8.240 nan 0.000 0.466 77 V N 0.841 120.799 119.914 0.073 0.000 2.925 77 V HA 0.819 4.831 4.120 -0.179 0.000 0.311 77 V C -0.990 175.170 176.094 0.109 0.000 1.104 77 V CA -0.319 62.037 62.300 0.093 0.000 0.954 77 V CB 2.420 34.300 31.823 0.095 0.000 1.022 77 V HN 1.187 nan 8.190 nan 0.000 0.427 78 S N 3.748 119.526 115.700 0.130 0.000 2.549 78 S HA 0.784 5.147 4.470 -0.179 0.000 0.280 78 S C -2.147 172.595 174.600 0.236 0.000 1.109 78 S CA -0.368 57.923 58.200 0.152 0.000 0.905 78 S CB 1.706 64.967 63.200 0.103 0.000 1.081 78 S HN 0.789 nan 8.310 nan 0.000 0.477 79 Y N 1.792 122.138 120.300 0.077 0.000 2.386 79 Y HA 0.412 4.854 4.550 -0.180 0.000 0.334 79 Y C -1.315 174.632 175.900 0.079 0.000 1.002 79 Y CA -1.204 56.938 58.100 0.071 0.000 1.068 79 Y CB 1.143 39.647 38.460 0.074 0.000 1.203 79 Y HN 0.546 nan 8.280 nan 0.000 0.443 80 D N 4.359 124.502 120.400 -0.428 0.000 2.339 80 D HA 0.421 4.954 4.640 -0.179 0.000 0.256 80 D C -1.107 174.870 176.300 -0.538 0.000 1.214 80 D CA 0.753 54.542 54.000 -0.352 0.000 0.877 80 D CB 1.245 41.887 40.800 -0.262 0.000 1.111 80 D HN 0.337 nan 8.370 nan 0.000 0.478 81 V N 2.766 122.571 119.914 -0.182 0.000 2.852 81 V HA 0.157 4.170 4.120 -0.179 0.000 0.300 81 V C -1.623 174.518 176.094 0.079 0.000 1.205 81 V CA -0.914 61.346 62.300 -0.068 0.000 0.940 81 V CB 2.445 34.319 31.823 0.085 0.000 1.047 81 V HN 0.361 nan 8.190 nan 0.000 0.429 82 D N 5.372 125.793 120.400 0.035 0.000 2.402 82 D HA 0.250 4.783 4.640 -0.179 0.000 0.235 82 D C 1.163 177.469 176.300 0.009 0.000 1.226 82 D CA 0.068 54.097 54.000 0.049 0.000 0.918 82 D CB 0.950 41.729 40.800 -0.036 0.000 1.043 82 D HN 0.586 nan 8.370 nan 0.000 0.506 83 L N 3.101 124.320 121.223 -0.007 0.000 2.275 83 L HA -0.179 4.053 4.340 -0.179 0.000 0.215 83 L C 1.838 178.654 176.870 -0.089 0.000 1.119 83 L CA 0.642 55.397 54.840 -0.142 0.000 0.790 83 L CB -0.351 41.424 42.059 -0.473 0.000 0.919 83 L HN 0.375 nan 8.230 nan 0.000 0.443 84 N N -1.498 117.117 118.700 -0.142 0.000 2.521 84 N HA -0.154 4.478 4.740 -0.179 0.000 0.188 84 N C 1.083 176.488 175.510 -0.175 0.000 1.146 84 N CA 0.683 53.584 53.050 -0.248 0.000 0.893 84 N CB -0.495 37.549 38.487 -0.739 0.000 0.975 84 N HN 0.265 nan 8.380 nan 0.000 0.451 85 N N -0.375 118.259 118.700 -0.110 0.000 2.299 85 N HA 0.098 4.731 4.740 -0.179 0.000 0.187 85 N C 0.586 176.092 175.510 -0.008 0.000 1.099 85 N CA 0.202 53.221 53.050 -0.050 0.000 0.867 85 N CB 0.847 39.309 38.487 -0.042 0.000 0.974 85 N HN 0.135 nan 8.380 nan 0.000 0.477 86 V N 0.481 120.393 119.914 -0.003 0.000 2.806 86 V HA 0.209 4.222 4.120 -0.179 0.000 0.239 86 V C 0.946 177.060 176.094 0.034 0.000 1.113 86 V CA 0.495 62.810 62.300 0.025 0.000 1.137 86 V CB 0.492 32.334 31.823 0.032 0.000 0.865 86 V HN 0.029 nan 8.190 nan 0.000 0.482 87 L N 2.066 123.306 121.223 0.029 0.000 2.360 87 L HA 0.414 4.646 4.340 -0.179 0.000 0.271 87 L C -2.022 174.895 176.870 0.078 0.000 1.057 87 L CA -1.696 53.174 54.840 0.049 0.000 0.803 87 L CB 0.975 43.058 42.059 0.041 0.000 1.207 87 L HN 0.149 nan 8.230 nan 0.000 0.445 88 P HA 0.075 nan 4.420 nan 0.000 0.274 88 P C -0.072 177.336 177.300 0.180 0.000 1.260 88 P CA -0.313 62.873 63.100 0.143 0.000 0.793 88 P CB 0.753 32.543 31.700 0.150 0.000 1.048 89 E N -0.596 119.743 120.200 0.232 0.000 2.106 89 E HA -0.127 4.116 4.350 -0.179 0.000 0.192 89 E C -0.091 176.597 176.600 0.148 0.000 0.984 89 E CA 1.300 57.838 56.400 0.230 0.000 0.806 89 E CB -0.041 29.828 29.700 0.282 0.000 0.750 89 E HN 0.470 nan 8.360 nan 0.000 0.458 90 W N 0.873 122.292 121.300 0.198 0.000 2.478 90 W HA 0.352 4.904 4.660 -0.179 0.000 0.318 90 W C -0.284 176.279 176.519 0.074 0.000 1.062 90 W CA -0.729 56.693 57.345 0.129 0.000 1.210 90 W CB 1.372 30.848 29.460 0.026 0.000 1.325 90 W HN -0.256 nan 8.180 nan 0.000 0.496 91 V N 0.426 120.506 119.914 0.277 0.000 3.130 91 V HA 0.688 4.700 4.120 -0.179 0.000 0.310 91 V C -0.668 175.473 176.094 0.078 0.000 1.158 91 V CA -1.824 60.548 62.300 0.120 0.000 1.029 91 V CB 2.126 33.971 31.823 0.036 0.000 1.057 91 V HN 0.577 nan 8.190 nan 0.000 0.436 92 R N 0.495 120.981 120.500 -0.025 0.000 2.664 92 R HA 0.840 5.073 4.340 -0.179 0.000 0.286 92 R C -0.985 175.161 176.300 -0.257 0.000 0.967 92 R CA -0.618 55.431 56.100 -0.085 0.000 0.933 92 R CB 2.231 32.480 30.300 -0.087 0.000 1.146 92 R HN 0.989 nan 8.270 nan 0.000 0.468 93 V N -0.977 118.766 119.914 -0.285 0.000 2.581 93 V HA 0.978 4.991 4.120 -0.179 0.000 0.303 93 V C -0.012 175.876 176.094 -0.343 0.000 1.041 93 V CA -0.459 61.550 62.300 -0.485 0.000 0.907 93 V CB 1.602 33.120 31.823 -0.509 0.000 0.994 93 V HN 0.890 nan 8.190 nan 0.000 0.442 94 G N 2.786 111.079 108.800 -0.844 0.000 2.682 94 G HA2 0.691 4.543 3.960 -0.179 0.000 0.290 94 G HA3 0.691 4.543 3.960 -0.179 0.000 0.290 94 G C -1.726 172.706 174.900 -0.780 0.000 1.425 94 G CA -1.069 43.594 45.100 -0.728 0.000 0.807 94 G HN 0.869 nan 8.290 nan 0.000 0.482 95 L N 0.860 121.746 121.223 -0.562 0.000 2.346 95 L HA 0.764 4.997 4.340 -0.179 0.000 0.274 95 L C 0.302 177.117 176.870 -0.092 0.000 1.007 95 L CA -0.904 53.664 54.840 -0.452 0.000 0.818 95 L CB 2.221 43.778 42.059 -0.837 0.000 1.284 95 L HN 0.729 nan 8.230 nan 0.000 0.424 96 S N 1.393 117.044 115.700 -0.081 0.000 2.599 96 S HA 0.976 5.339 4.470 -0.179 0.000 0.287 96 S C -0.904 173.592 174.600 -0.174 0.000 1.105 96 S CA -0.486 57.632 58.200 -0.137 0.000 0.899 96 S CB 2.586 65.601 63.200 -0.310 0.000 1.100 96 S HN 0.893 nan 8.310 nan 0.000 0.482 97 A N 1.093 123.824 122.820 -0.150 0.000 2.606 97 A HA 0.943 5.156 4.320 -0.179 0.000 0.293 97 A C -0.368 177.163 177.584 -0.088 0.000 1.082 97 A CA -0.502 51.469 52.037 -0.109 0.000 0.685 97 A CB 1.270 20.217 19.000 -0.089 0.000 1.284 97 A HN 1.764 nan 8.150 nan 0.000 0.408 98 T N -1.405 113.115 114.554 -0.056 0.000 2.883 98 T HA 0.860 5.103 4.350 -0.179 0.000 0.296 98 T C -0.173 174.513 174.700 -0.023 0.000 1.117 98 T CA -0.030 62.043 62.100 -0.046 0.000 1.006 98 T CB 1.455 70.295 68.868 -0.046 0.000 1.191 98 T HN 1.692 nan 8.240 nan 0.000 0.508 99 T N -1.850 112.685 114.554 -0.031 0.000 2.926 99 T HA 0.898 5.141 4.350 -0.179 0.000 0.289 99 T C 0.456 175.123 174.700 -0.056 0.000 1.054 99 T CA -0.222 61.860 62.100 -0.031 0.000 1.015 99 T CB 1.677 70.532 68.868 -0.023 0.000 1.167 99 T HN 1.116 nan 8.240 nan 0.000 0.526 100 G N -0.312 108.438 108.800 -0.082 0.000 3.382 100 G HA2 0.441 4.294 3.960 -0.179 0.000 0.183 100 G HA3 0.441 4.294 3.960 -0.179 0.000 0.183 100 G C 0.418 175.227 174.900 -0.152 0.000 1.246 100 G CA -0.043 44.991 45.100 -0.110 0.000 0.828 100 G HN 0.763 nan 8.290 nan 0.000 0.728 101 L N -0.358 120.727 121.223 -0.231 0.000 2.109 101 L HA 0.383 4.616 4.340 -0.179 0.000 0.207 101 L C 0.473 177.057 176.870 -0.476 0.000 1.086 101 L CA 0.747 55.364 54.840 -0.371 0.000 0.760 101 L CB -0.683 41.087 42.059 -0.483 0.000 0.910 101 L HN 0.350 nan 8.230 nan 0.000 0.437 102 Y N 0.742 120.916 120.300 -0.210 0.000 2.403 102 Y HA 0.487 4.930 4.550 -0.179 0.000 0.323 102 Y C 0.373 176.198 175.900 -0.125 0.000 1.226 102 Y CA -0.752 57.247 58.100 -0.168 0.000 1.235 102 Y CB 0.896 39.217 38.460 -0.232 0.000 1.248 102 Y HN 0.016 nan 8.280 nan 0.000 0.489 103 K N 0.610 121.071 120.400 0.102 0.000 2.495 103 K HA 0.763 4.975 4.320 -0.179 0.000 0.268 103 K C -1.760 174.882 176.600 0.070 0.000 1.008 103 K CA -0.993 55.324 56.287 0.051 0.000 0.882 103 K CB 3.257 35.770 32.500 0.021 0.000 1.443 103 K HN 0.805 nan 8.250 nan 0.000 0.447 104 E N -0.330 119.906 120.200 0.060 0.000 2.392 104 E HA 0.121 4.364 4.350 -0.179 0.000 0.281 104 E C -1.361 175.280 176.600 0.068 0.000 1.088 104 E CA -0.976 55.469 56.400 0.074 0.000 0.850 104 E CB 1.172 30.931 29.700 0.098 0.000 1.267 104 E HN 0.722 nan 8.360 nan 0.000 0.438 105 T N 0.338 114.939 114.554 0.079 0.000 2.907 105 T HA 0.339 4.582 4.350 -0.179 0.000 0.298 105 T C -0.060 174.702 174.700 0.102 0.000 1.017 105 T CA -0.678 61.468 62.100 0.076 0.000 1.118 105 T CB 0.359 69.274 68.868 0.079 0.000 0.948 105 T HN 0.441 nan 8.240 nan 0.000 0.531 106 N N 2.724 121.469 118.700 0.075 0.000 2.918 106 N HA 0.201 4.834 4.740 -0.179 0.000 0.270 106 N C -0.891 174.660 175.510 0.068 0.000 1.536 106 N CA -0.364 52.735 53.050 0.082 0.000 0.877 106 N CB 1.333 39.834 38.487 0.023 0.000 1.190 106 N HN 0.647 nan 8.380 nan 0.000 0.492 107 T N 1.748 116.381 114.554 0.131 0.000 2.743 107 T HA 0.381 4.624 4.350 -0.179 0.000 0.293 107 T C 0.632 175.435 174.700 0.172 0.000 0.945 107 T CA -0.279 61.888 62.100 0.112 0.000 1.030 107 T CB 1.201 70.144 68.868 0.127 0.000 0.912 107 T HN 0.097 nan 8.240 nan 0.000 0.483 108 I N 4.797 125.422 120.570 0.092 0.000 2.321 108 I HA 0.203 4.266 4.170 -0.179 0.000 0.291 108 I C 0.793 177.085 176.117 0.292 0.000 0.998 108 I CA -0.627 60.781 61.300 0.180 0.000 1.227 108 I CB 1.383 39.369 38.000 -0.023 0.000 1.368 108 I HN 0.536 nan 8.210 nan 0.000 0.466 109 L N 4.003 125.455 121.223 0.382 0.000 2.408 109 L HA 0.147 4.380 4.340 -0.179 0.000 0.215 109 L C 0.798 177.954 176.870 0.476 0.000 1.081 109 L CA 0.751 55.820 54.840 0.381 0.000 0.840 109 L CB -0.378 41.833 42.059 0.252 0.000 1.002 109 L HN 0.757 nan 8.230 nan 0.000 0.468 110 S N -2.520 113.503 115.700 0.538 0.000 2.565 110 S HA 0.543 4.905 4.470 -0.179 0.000 0.269 110 S C -2.006 173.024 174.600 0.716 0.000 1.153 110 S CA -0.712 57.785 58.200 0.495 0.000 0.835 110 S CB 2.596 65.987 63.200 0.318 0.000 1.122 110 S HN 0.128 nan 8.310 nan 0.000 0.462 111 W N 2.101 123.683 121.300 0.470 0.000 3.624 111 W HA 0.697 5.259 4.660 -0.165 0.000 0.312 111 W C -1.343 175.461 176.519 0.474 0.000 1.203 111 W CA -0.223 57.446 57.345 0.539 0.000 1.225 111 W CB 1.560 31.423 29.460 0.670 0.000 1.321 111 W HN 1.363 nan 8.180 nan 0.000 0.506 112 S N 4.787 120.682 115.700 0.325 0.000 2.588 112 S HA 0.901 5.263 4.470 -0.179 0.000 0.275 112 S C -1.766 172.655 174.600 -0.298 0.000 1.130 112 S CA -0.608 57.521 58.200 -0.119 0.000 0.855 112 S CB 2.630 65.844 63.200 0.024 0.000 1.116 112 S HN 0.794 nan 8.310 nan 0.000 0.472 113 F N 0.610 120.010 119.950 -0.917 0.000 2.635 113 F HA 0.653 5.081 4.527 -0.165 0.000 0.314 113 F C -1.463 174.009 175.800 -0.547 0.000 1.119 113 F CA 0.031 57.553 58.000 -0.796 0.000 1.000 113 F CB 1.934 40.159 39.000 -1.292 0.000 1.278 113 F HN 0.781 nan 8.300 nan 0.000 0.446 114 T N 3.566 117.543 114.554 -0.963 0.000 2.921 114 T HA 0.549 4.792 4.350 -0.179 0.000 0.297 114 T C -1.356 172.821 174.700 -0.872 0.000 1.013 114 T CA -0.773 60.944 62.100 -0.638 0.000 0.990 114 T CB 1.658 70.357 68.868 -0.282 0.000 1.023 114 T HN 0.587 nan 8.240 nan 0.000 0.447 115 S N 2.336 117.732 115.700 -0.507 0.000 2.500 115 S HA 0.677 5.040 4.470 -0.179 0.000 0.301 115 S C -1.247 173.326 174.600 -0.045 0.000 1.092 115 S CA -0.801 57.287 58.200 -0.187 0.000 1.030 115 S CB 0.519 63.774 63.200 0.091 0.000 1.031 115 S HN 0.551 nan 8.310 nan 0.000 0.483 116 K N 2.714 123.113 120.400 -0.002 0.000 2.427 116 K HA 0.542 4.755 4.320 -0.179 0.000 0.252 116 K C -1.839 174.764 176.600 0.004 0.000 0.931 116 K CA -0.888 55.393 56.287 -0.009 0.000 0.793 116 K CB 2.116 34.594 32.500 -0.036 0.000 1.211 116 K HN 0.454 nan 8.250 nan 0.000 0.426 117 L N 2.532 123.733 121.223 -0.036 0.000 2.404 117 L HA 0.394 4.627 4.340 -0.179 0.000 0.272 117 L C -1.196 175.605 176.870 -0.116 0.000 0.980 117 L CA -0.274 54.509 54.840 -0.095 0.000 0.836 117 L CB 1.386 43.332 42.059 -0.187 0.000 1.238 117 L HN 0.490 nan 8.230 nan 0.000 0.408 118 K N 3.424 123.753 120.400 -0.119 0.000 2.235 118 K HA 0.735 4.948 4.320 -0.179 0.000 0.266 118 K C -0.841 175.662 176.600 -0.161 0.000 0.980 118 K CA -0.322 55.898 56.287 -0.112 0.000 0.849 118 K CB 1.165 33.623 32.500 -0.069 0.000 1.098 118 K HN 0.790 nan 8.250 nan 0.000 0.445 119 T N 0.609 115.079 114.554 -0.140 0.000 2.841 119 T HA 0.697 4.940 4.350 -0.179 0.000 0.276 119 T C -0.224 174.425 174.700 -0.084 0.000 1.003 119 T CA -0.756 61.260 62.100 -0.140 0.000 0.995 119 T CB 1.433 70.206 68.868 -0.158 0.000 1.260 119 T HN 0.823 nan 8.240 nan 0.000 0.581 124 D N -0.059 120.329 120.400 -0.020 0.000 2.579 124 D HA 0.957 5.490 4.640 -0.179 0.000 0.257 124 D C 0.021 176.306 176.300 -0.027 0.000 1.176 124 D CA -0.038 53.949 54.000 -0.023 0.000 0.914 124 D CB 1.595 42.385 40.800 -0.017 0.000 1.431 124 D HN 2.216 nan 8.370 nan 0.000 0.454 125 A N 0.418 123.219 122.820 -0.031 0.000 2.477 125 A HA 0.461 4.674 4.320 -0.179 0.000 0.246 125 A C 0.402 177.971 177.584 -0.024 0.000 1.078 125 A CA -0.133 51.882 52.037 -0.037 0.000 0.770 125 A CB -0.475 18.501 19.000 -0.040 0.000 1.011 125 A HN 0.610 nan 8.150 nan 0.000 0.494 126 N N 0.436 119.120 118.700 -0.027 0.000 2.530 126 N HA 0.408 5.041 4.740 -0.179 0.000 0.273 126 N C -0.158 175.357 175.510 0.008 0.000 1.173 126 N CA 0.466 53.516 53.050 0.001 0.000 0.967 126 N CB 0.719 39.208 38.487 0.003 0.000 1.109 126 N HN 0.820 nan 8.380 nan 0.000 0.453 127 S N 1.250 116.973 115.700 0.037 0.000 2.570 127 S HA 0.606 4.968 4.470 -0.179 0.000 0.270 127 S C -1.415 173.238 174.600 0.090 0.000 1.149 127 S CA -0.935 57.290 58.200 0.042 0.000 0.837 127 S CB 1.897 65.103 63.200 0.010 0.000 1.124 127 S HN 0.366 nan 8.310 nan 0.000 0.465 128 L N 1.815 123.099 121.223 0.101 0.000 2.436 128 L HA 0.794 5.027 4.340 -0.179 0.000 0.268 128 L C -1.432 175.495 176.870 0.096 0.000 0.974 128 L CA -0.098 54.835 54.840 0.154 0.000 0.826 128 L CB 1.952 44.170 42.059 0.265 0.000 1.291 128 L HN 1.114 nan 8.230 nan 0.000 0.406 129 H N 4.177 123.225 119.070 -0.036 0.000 2.759 129 H HA 0.718 5.245 4.556 -0.048 0.000 0.354 129 H C -1.734 173.510 175.328 -0.140 0.000 1.074 129 H CA -0.691 55.251 56.048 -0.178 0.000 1.226 129 H CB 1.345 31.007 29.762 -0.166 0.000 1.648 129 H HN 0.474 nan 8.280 nan 0.000 0.529 130 F N 1.917 121.331 119.950 -0.893 0.000 2.588 130 F HA 0.803 5.229 4.527 -0.168 0.000 0.314 130 F C -1.222 174.007 175.800 -0.951 0.000 1.069 130 F CA -0.854 56.588 58.000 -0.930 0.000 0.931 130 F CB 1.729 40.173 39.000 -0.927 0.000 1.260 130 F HN 0.583 nan 8.300 nan 0.000 0.465 131 S N 0.911 116.306 115.700 -0.508 0.000 2.540 131 S HA 0.785 5.148 4.470 -0.179 0.000 0.275 131 S C -1.697 172.672 174.600 -0.385 0.000 1.123 131 S CA -0.680 57.354 58.200 -0.277 0.000 0.907 131 S CB 1.259 64.374 63.200 -0.143 0.000 1.081 131 S HN 0.573 nan 8.310 nan 0.000 0.476 132 F N 1.354 121.270 119.950 -0.057 0.000 2.477 132 F HA 0.525 4.951 4.527 -0.167 0.000 0.335 132 F C 1.189 176.851 175.800 -0.229 0.000 1.130 132 F CA -0.674 57.158 58.000 -0.279 0.000 0.948 132 F CB 2.422 40.997 39.000 -0.709 0.000 1.154 132 F HN 0.682 nan 8.300 nan 0.000 0.439 133 S N 1.413 117.100 115.700 -0.022 0.000 2.517 133 S HA 0.083 4.446 4.470 -0.179 0.000 0.214 133 S C -0.068 174.539 174.600 0.010 0.000 0.991 133 S CA -0.095 58.123 58.200 0.030 0.000 0.906 133 S CB -0.001 63.224 63.200 0.041 0.000 0.789 133 S HN 0.727 nan 8.310 nan 0.000 0.513 134 Q N -0.532 119.221 119.800 -0.077 0.000 2.435 134 Q HA 0.548 4.781 4.340 -0.179 0.000 0.282 134 Q C -1.842 174.108 176.000 -0.084 0.000 1.020 134 Q CA -0.844 54.956 55.803 -0.006 0.000 0.820 134 Q CB 0.916 29.708 28.738 0.089 0.000 1.436 134 Q HN 0.109 nan 8.270 nan 0.000 0.395 135 F N 1.326 121.396 119.950 0.200 0.000 2.444 135 F HA 0.431 4.854 4.527 -0.173 0.000 0.342 135 F C 0.606 176.480 175.800 0.124 0.000 1.121 135 F CA -0.595 57.509 58.000 0.174 0.000 0.997 135 F CB 2.166 41.197 39.000 0.052 0.000 1.130 135 F HN 0.679 nan 8.300 nan 0.000 0.454 136 S N 1.608 117.471 115.700 0.271 0.000 2.600 136 S HA 0.314 4.676 4.470 -0.179 0.000 0.265 136 S C -0.223 174.465 174.600 0.147 0.000 1.325 136 S CA -1.030 57.274 58.200 0.173 0.000 1.002 136 S CB 0.659 63.935 63.200 0.127 0.000 0.921 136 S HN 0.547 nan 8.310 nan 0.000 0.554 137 Q N 1.629 121.488 119.800 0.097 0.000 2.395 137 Q HA 0.214 4.447 4.340 -0.179 0.000 0.271 137 Q C 0.488 176.520 176.000 0.053 0.000 1.026 137 Q CA 0.673 56.515 55.803 0.064 0.000 0.900 137 Q CB -0.122 28.644 28.738 0.046 0.000 1.266 137 Q HN 0.822 nan 8.270 nan 0.000 0.430 138 N N 1.544 120.264 118.700 0.034 0.000 2.667 138 N HA -0.141 4.492 4.740 -0.179 0.000 0.263 138 N C -2.374 173.153 175.510 0.029 0.000 1.038 138 N CA -0.382 52.679 53.050 0.019 0.000 0.749 138 N CB 0.019 38.510 38.487 0.007 0.000 0.892 138 N HN 0.291 nan 8.380 nan 0.000 0.546 139 P HA 0.102 nan 4.420 nan 0.000 0.282 139 P C 0.119 177.425 177.300 0.010 0.000 1.274 139 P CA -0.033 63.115 63.100 0.080 0.000 0.770 139 P CB 0.895 32.688 31.700 0.155 0.000 0.867 140 K N 1.667 122.045 120.400 -0.036 0.000 2.366 140 K HA -0.066 4.146 4.320 -0.179 0.000 0.198 140 K C 0.641 177.065 176.600 -0.292 0.000 1.044 140 K CA 1.058 57.250 56.287 -0.159 0.000 0.973 140 K CB 0.010 32.406 32.500 -0.174 0.000 0.767 140 K HN 0.530 nan 8.250 nan 0.000 0.475 141 D N 0.290 120.597 120.400 -0.155 0.000 2.325 141 D HA 0.023 4.556 4.640 -0.179 0.000 0.225 141 D C 0.201 176.413 176.300 -0.147 0.000 1.096 141 D CA 0.067 53.928 54.000 -0.231 0.000 0.844 141 D CB -0.026 40.689 40.800 -0.141 0.000 0.925 141 D HN 0.038 nan 8.370 nan 0.000 0.513 142 L N 0.287 121.492 121.223 -0.030 0.000 2.362 142 L HA 0.487 4.719 4.340 -0.179 0.000 0.271 142 L C -0.223 176.677 176.870 0.050 0.000 1.002 142 L CA -1.148 53.701 54.840 0.016 0.000 0.818 142 L CB 2.563 44.627 42.059 0.009 0.000 1.298 142 L HN -0.213 nan 8.230 nan 0.000 0.420 143 I N 3.924 124.530 120.570 0.060 0.000 2.306 143 I HA 0.277 4.340 4.170 -0.179 0.000 0.288 143 I C -0.438 175.684 176.117 0.009 0.000 1.036 143 I CA -0.290 61.039 61.300 0.049 0.000 1.221 143 I CB 0.900 38.915 38.000 0.025 0.000 1.385 143 I HN 0.302 nan 8.210 nan 0.000 0.472 144 L N 7.257 128.476 121.223 -0.007 0.000 2.276 144 L HA 0.423 4.656 4.340 -0.179 0.000 0.286 144 L C -0.111 176.742 176.870 -0.029 0.000 1.061 144 L CA -0.360 54.461 54.840 -0.032 0.000 0.807 144 L CB 0.687 42.719 42.059 -0.046 0.000 1.177 144 L HN 0.576 nan 8.230 nan 0.000 0.429 145 Q N 2.063 121.841 119.800 -0.036 0.000 2.345 145 Q HA 0.695 4.928 4.340 -0.179 0.000 0.268 145 Q C 0.575 176.544 176.000 -0.051 0.000 1.054 145 Q CA 0.315 56.095 55.803 -0.038 0.000 0.835 145 Q CB 2.017 30.736 28.738 -0.032 0.000 1.339 145 Q HN 0.912 nan 8.270 nan 0.000 0.447 146 S N 1.601 117.271 115.700 -0.049 0.000 3.961 146 S HA -0.235 4.128 4.470 -0.179 0.000 0.627 146 S C 0.582 175.152 174.600 -0.050 0.000 2.148 146 S CA 1.528 59.697 58.200 -0.053 0.000 4.099 146 S CB -1.493 nan 63.200 nan 0.000 0.219 146 S HN 0.789 nan 8.310 nan 0.000 0.744 147 D N 2.292 122.659 120.400 -0.055 0.000 2.340 147 D HA 0.484 5.017 4.640 -0.179 0.000 0.220 147 D C 0.777 177.043 176.300 -0.056 0.000 1.039 147 D CA 0.916 54.886 54.000 -0.050 0.000 0.866 147 D CB -0.488 40.283 40.800 -0.047 0.000 0.913 147 D HN 1.040 nan 8.370 nan 0.000 0.523 148 A N 1.011 123.791 122.820 -0.067 0.000 2.488 148 A HA 0.447 4.660 4.320 -0.179 0.000 0.249 148 A C 0.812 178.349 177.584 -0.077 0.000 1.083 148 A CA 0.142 52.128 52.037 -0.085 0.000 0.768 148 A CB 0.079 19.016 19.000 -0.104 0.000 1.017 148 A HN 0.176 nan 8.150 nan 0.000 0.496 149 T N -0.880 113.623 114.554 -0.085 0.000 2.843 149 T HA 0.671 4.914 4.350 -0.179 0.000 0.302 149 T C -0.395 174.253 174.700 -0.086 0.000 1.232 149 T CA -0.563 61.495 62.100 -0.069 0.000 1.009 149 T CB 1.340 70.185 68.868 -0.040 0.000 1.254 149 T HN 0.505 nan 8.240 nan 0.000 0.504 150 T N 2.659 117.178 114.554 -0.057 0.000 2.829 150 T HA 0.597 4.840 4.350 -0.179 0.000 0.282 150 T C -0.311 174.395 174.700 0.010 0.000 0.990 150 T CA -0.526 61.556 62.100 -0.030 0.000 1.028 150 T CB 1.051 69.934 68.868 0.026 0.000 0.951 150 T HN 0.890 nan 8.240 nan 0.000 0.460 151 D N 0.382 120.799 120.400 0.028 0.000 2.478 151 D HA 0.250 4.782 4.640 -0.179 0.000 0.263 151 D C 1.472 177.805 176.300 0.056 0.000 1.153 151 D CA -0.691 53.330 54.000 0.036 0.000 1.038 151 D CB 0.270 41.091 40.800 0.034 0.000 1.120 151 D HN 0.361 nan 8.370 nan 0.000 0.564 152 S N -1.035 114.695 115.700 0.049 0.000 2.442 152 S HA -0.176 4.186 4.470 -0.179 0.000 0.236 152 S C 0.826 175.465 174.600 0.064 0.000 1.007 152 S CA 0.890 59.121 58.200 0.052 0.000 0.965 152 S CB -0.387 62.837 63.200 0.040 0.000 0.773 152 S HN 0.447 nan 8.310 nan 0.000 0.504 153 D N 1.213 121.657 120.400 0.074 0.000 2.340 153 D HA 0.261 4.794 4.640 -0.179 0.000 0.220 153 D C 1.420 177.789 176.300 0.116 0.000 1.039 153 D CA 0.834 54.885 54.000 0.086 0.000 0.866 153 D CB -0.003 40.846 40.800 0.082 0.000 0.913 153 D HN 0.613 nan 8.370 nan 0.000 0.523 154 G N 0.849 109.730 108.800 0.136 0.000 2.132 154 G HA2 -0.244 3.609 3.960 -0.179 0.000 0.228 154 G HA3 -0.244 3.609 3.960 -0.179 0.000 0.228 154 G C 0.076 175.159 174.900 0.305 0.000 1.000 154 G CA -0.383 44.836 45.100 0.199 0.000 0.693 154 G HN 0.188 nan 8.290 nan 0.000 0.515 155 N N -0.460 118.377 118.700 0.229 0.000 2.430 155 N HA 0.613 5.246 4.740 -0.179 0.000 0.298 155 N C -0.354 175.188 175.510 0.053 0.000 1.130 155 N CA -0.677 52.511 53.050 0.230 0.000 0.894 155 N CB 1.809 40.391 38.487 0.158 0.000 1.209 155 N HN 0.243 nan 8.380 nan 0.000 0.503 156 L N 1.924 123.049 121.223 -0.162 0.000 2.265 156 L HA 0.241 4.474 4.340 -0.179 0.000 0.288 156 L C -0.454 176.308 176.870 -0.181 0.000 1.058 156 L CA -0.055 54.558 54.840 -0.378 0.000 0.809 156 L CB 0.398 41.922 42.059 -0.893 0.000 1.179 156 L HN 0.270 nan 8.230 nan 0.000 0.429 157 Q N 6.182 125.907 119.800 -0.125 0.000 2.430 157 Q HA 0.234 4.467 4.340 -0.179 0.000 0.245 157 Q C 0.720 176.662 176.000 -0.097 0.000 1.021 157 Q CA -0.104 55.655 55.803 -0.073 0.000 0.867 157 Q CB 1.594 30.311 28.738 -0.035 0.000 1.210 157 Q HN 0.836 nan 8.270 nan 0.000 0.487 158 L N 0.828 121.988 121.223 -0.105 0.000 2.156 158 L HA -0.053 4.180 4.340 -0.179 0.000 0.208 158 L C 1.124 177.944 176.870 -0.084 0.000 1.095 158 L CA 1.013 55.781 54.840 -0.120 0.000 0.770 158 L CB 0.044 42.017 42.059 -0.145 0.000 0.914 158 L HN 0.485 nan 8.230 nan 0.000 0.439 159 T N -2.824 111.696 114.554 -0.056 0.000 2.932 159 T HA 0.425 4.668 4.350 -0.179 0.000 0.289 159 T C 0.023 174.705 174.700 -0.030 0.000 1.039 159 T CA -0.933 61.142 62.100 -0.042 0.000 1.024 159 T CB 1.713 70.562 68.868 -0.031 0.000 1.090 159 T HN -0.057 nan 8.240 nan 0.000 0.496 160 R N 0.571 121.054 120.500 -0.028 0.000 2.523 160 R HA 0.388 4.620 4.340 -0.179 0.000 0.281 160 R C -0.707 175.587 176.300 -0.010 0.000 0.969 160 R CA 0.159 56.246 56.100 -0.021 0.000 1.093 160 R CB -0.052 30.235 30.300 -0.023 0.000 0.917 160 R HN 0.475 nan 8.270 nan 0.000 0.408 161 V N 2.515 122.426 119.914 -0.006 0.000 2.876 161 V HA 0.251 4.264 4.120 -0.179 0.000 0.312 161 V C -0.175 175.921 176.094 0.003 0.000 1.085 161 V CA -0.670 61.632 62.300 0.004 0.000 0.945 161 V CB 2.530 34.358 31.823 0.009 0.000 1.017 161 V HN 0.848 nan 8.190 nan 0.000 0.428 162 S N 1.777 117.481 115.700 0.007 0.000 2.655 162 S HA 0.210 4.573 4.470 -0.179 0.000 0.265 162 S C 1.493 176.098 174.600 0.009 0.000 1.240 162 S CA -0.148 58.055 58.200 0.006 0.000 0.986 162 S CB 1.312 64.515 63.200 0.006 0.000 0.985 162 S HN 0.813 nan 8.310 nan 0.000 0.562 163 S N 1.820 117.524 115.700 0.008 0.000 2.381 163 S HA -0.215 4.148 4.470 -0.179 0.000 0.230 163 S C 1.697 176.306 174.600 0.014 0.000 1.052 163 S CA 2.104 60.311 58.200 0.011 0.000 1.068 163 S CB -0.650 62.556 63.200 0.009 0.000 0.918 163 S HN 0.880 nan 8.310 nan 0.000 0.448 164 D N -0.618 119.790 120.400 0.014 0.000 2.269 164 D HA 0.128 4.660 4.640 -0.179 0.000 0.208 164 D C 1.260 177.573 176.300 0.021 0.000 0.963 164 D CA 1.118 55.129 54.000 0.017 0.000 0.864 164 D CB -0.693 40.116 40.800 0.015 0.000 0.936 164 D HN 0.530 nan 8.370 nan 0.000 0.505 165 G N -0.131 108.682 108.800 0.021 0.000 2.175 165 G HA2 -0.193 3.659 3.960 -0.179 0.000 0.182 165 G HA3 -0.193 3.659 3.960 -0.179 0.000 0.182 165 G C 0.149 175.065 174.900 0.026 0.000 1.003 165 G CA 0.143 45.258 45.100 0.025 0.000 0.666 165 G HN 0.773 nan 8.290 nan 0.000 0.506 166 S N 1.423 117.135 115.700 0.021 0.000 2.528 166 S HA 0.643 5.006 4.470 -0.179 0.000 0.277 166 S C -1.637 172.974 174.600 0.019 0.000 1.297 166 S CA -0.893 57.320 58.200 0.021 0.000 1.052 166 S CB 1.950 65.160 63.200 0.017 0.000 0.917 166 S HN 0.340 nan 8.310 nan 0.000 0.492 167 P HA 0.210 nan 4.420 nan 0.000 0.274 167 P C -0.905 176.401 177.300 0.010 0.000 1.231 167 P CA -0.379 62.733 63.100 0.020 0.000 0.790 167 P CB 0.521 32.241 31.700 0.032 0.000 0.951 168 Q N 0.056 119.856 119.800 0.001 0.000 2.345 168 Q HA 0.555 4.788 4.340 -0.179 0.000 0.268 168 Q C 0.593 176.581 176.000 -0.019 0.000 1.054 168 Q CA -0.870 54.927 55.803 -0.011 0.000 0.835 168 Q CB 2.096 30.825 28.738 -0.015 0.000 1.339 168 Q HN 0.538 nan 8.270 nan 0.000 0.447 169 G N -0.165 108.615 108.800 -0.033 0.000 2.588 169 G HA2 0.215 4.068 3.960 -0.179 0.000 0.278 169 G HA3 0.215 4.068 3.960 -0.179 0.000 0.278 169 G C -0.197 174.671 174.900 -0.054 0.000 1.307 169 G CA -0.241 44.828 45.100 -0.052 0.000 1.016 169 G HN 0.704 nan 8.290 nan 0.000 0.503 170 S N -1.861 113.800 115.700 -0.066 0.000 3.549 170 S HA -0.172 4.190 4.470 -0.179 0.000 0.366 170 S C 0.369 174.939 174.600 -0.051 0.000 1.012 170 S CA 0.980 59.144 58.200 -0.061 0.000 1.141 170 S CB -1.554 61.610 63.200 -0.060 0.000 0.910 170 S HN 1.025 nan 8.310 nan 0.000 0.471 171 S N -0.356 115.315 115.700 -0.048 0.000 2.532 171 S HA 0.789 5.152 4.470 -0.179 0.000 0.301 171 S C -0.525 174.044 174.600 -0.053 0.000 1.083 171 S CA -0.384 57.788 58.200 -0.046 0.000 1.025 171 S CB 2.006 65.183 63.200 -0.039 0.000 1.056 171 S HN 0.661 nan 8.310 nan 0.000 0.494 172 V N 3.335 123.214 119.914 -0.059 0.000 2.709 172 V HA 0.954 4.967 4.120 -0.179 0.000 0.308 172 V C -0.076 175.972 176.094 -0.077 0.000 1.062 172 V CA 0.223 62.479 62.300 -0.074 0.000 0.901 172 V CB 1.550 33.324 31.823 -0.082 0.000 1.003 172 V HN 1.093 nan 8.190 nan 0.000 0.425 173 G N 5.725 114.470 108.800 -0.091 0.000 2.733 173 G HA2 0.764 4.617 3.960 -0.179 0.000 0.297 173 G HA3 0.764 4.617 3.960 -0.179 0.000 0.297 173 G C -1.672 173.164 174.900 -0.107 0.000 1.422 173 G CA -0.882 44.163 45.100 -0.092 0.000 0.942 173 G HN 0.782 nan 8.290 nan 0.000 0.510 174 R N -0.287 120.159 120.500 -0.089 0.000 2.740 174 R HA 0.789 5.022 4.340 -0.179 0.000 0.273 174 R C -1.115 175.148 176.300 -0.063 0.000 0.998 174 R CA -1.018 55.046 56.100 -0.059 0.000 0.900 174 R CB 2.649 32.954 30.300 0.007 0.000 1.223 174 R HN 0.812 nan 8.270 nan 0.000 0.466 175 A N 3.051 125.819 122.820 -0.087 0.000 2.353 175 A HA 0.572 4.784 4.320 -0.179 0.000 0.299 175 A C -1.024 176.557 177.584 -0.005 0.000 1.089 175 A CA -0.696 51.294 52.037 -0.079 0.000 0.736 175 A CB 0.997 19.895 19.000 -0.171 0.000 1.195 175 A HN 0.384 nan 8.150 nan 0.000 0.447 176 L N 2.066 123.321 121.223 0.053 0.000 2.334 176 L HA 0.496 4.728 4.340 -0.179 0.000 0.276 176 L C -0.263 176.701 176.870 0.158 0.000 1.014 176 L CA -0.446 54.439 54.840 0.075 0.000 0.815 176 L CB 1.399 43.443 42.059 -0.025 0.000 1.268 176 L HN 0.803 nan 8.230 nan 0.000 0.428 177 F N 1.116 121.072 119.950 0.010 0.000 2.529 177 F HA 0.000 4.427 4.527 -0.166 0.000 0.365 177 F C 1.083 176.850 175.800 -0.055 0.000 1.102 177 F CA 0.192 58.084 58.000 -0.178 0.000 1.271 177 F CB 0.496 39.182 39.000 -0.524 0.000 1.120 177 F HN 0.398 nan 8.300 nan 0.000 0.579 178 Y N 4.550 124.330 120.300 -0.866 0.000 2.181 178 Y HA 0.054 4.495 4.550 -0.182 0.000 0.288 178 Y C 1.153 176.833 175.900 -0.367 0.000 1.146 178 Y CA 1.326 59.105 58.100 -0.537 0.000 1.164 178 Y CB -0.484 37.659 38.460 -0.529 0.000 0.982 178 Y HN 0.557 nan 8.280 nan 0.000 0.515 179 A N 1.527 124.139 122.820 -0.347 0.000 2.366 179 A HA 0.376 4.588 4.320 -0.179 0.000 0.272 179 A C -2.443 175.239 177.584 0.164 0.000 1.135 179 A CA -1.475 50.563 52.037 0.001 0.000 0.804 179 A CB -0.419 18.716 19.000 0.225 0.000 1.064 179 A HN 0.186 nan 8.150 nan 0.000 0.499 180 P HA 0.256 nan 4.420 nan 0.000 0.269 180 P C -0.731 176.850 177.300 0.467 0.000 1.215 180 P CA -0.054 63.203 63.100 0.262 0.000 0.780 180 P CB 0.665 32.497 31.700 0.221 0.000 0.898 181 V N 2.495 122.663 119.914 0.423 0.000 2.459 181 V HA 0.195 4.208 4.120 -0.179 0.000 0.295 181 V C 0.140 176.340 176.094 0.177 0.000 1.029 181 V CA -0.498 62.011 62.300 0.349 0.000 0.874 181 V CB 1.086 33.091 31.823 0.305 0.000 0.985 181 V HN 0.577 nan 8.190 nan 0.000 0.438 182 H N 4.700 123.563 119.070 -0.345 0.000 2.911 182 H HA 0.280 4.728 4.556 -0.180 0.000 0.273 182 H C 0.865 176.009 175.328 -0.306 0.000 1.157 182 H CA -0.546 54.970 56.048 -0.887 0.000 1.402 182 H CB 0.901 29.822 29.762 -1.402 0.000 1.463 182 H HN 0.773 nan 8.280 nan 0.000 0.475 183 I N 2.108 122.646 120.570 -0.054 0.000 3.860 183 I HA 0.231 4.294 4.170 -0.179 0.000 0.319 183 I C -0.007 176.233 176.117 0.205 0.000 1.279 183 I CA -0.090 61.278 61.300 0.113 0.000 1.220 183 I CB 0.430 38.555 38.000 0.207 0.000 1.027 183 I HN 0.376 nan 8.210 nan 0.000 0.428 184 W N 0.984 122.134 121.300 -0.250 0.000 3.248 184 W HA 0.551 5.102 4.660 -0.182 0.000 0.311 184 W C -1.747 174.541 176.519 -0.384 0.000 1.258 184 W CA -0.614 56.597 57.345 -0.223 0.000 1.191 184 W CB 1.907 31.336 29.460 -0.053 0.000 1.389 184 W HN -0.164 nan 8.180 nan 0.000 0.561 185 E N 1.982 121.378 120.200 -1.340 0.000 2.429 185 E HA 0.488 4.731 4.350 -0.179 0.000 0.276 185 E C -0.697 175.357 176.600 -0.910 0.000 0.953 185 E CA -0.312 55.570 56.400 -0.864 0.000 0.787 185 E CB 1.688 30.997 29.700 -0.653 0.000 1.307 185 E HN 0.468 nan 8.360 nan 0.000 0.458 186 K N 0.494 120.721 120.400 -0.290 0.000 2.401 186 K HA 0.357 4.569 4.320 -0.179 0.000 0.278 186 K C 0.623 177.116 176.600 -0.178 0.000 1.018 186 K CA 0.643 56.877 56.287 -0.090 0.000 0.981 186 K CB -0.430 32.083 32.500 0.022 0.000 0.933 186 K HN 0.666 nan 8.250 nan 0.000 0.477 187 S N -1.511 114.139 115.700 -0.084 0.000 3.476 187 S HA -0.141 4.221 4.470 -0.179 0.000 0.309 187 S C 0.598 175.067 174.600 -0.218 0.000 1.222 187 S CA 0.481 58.630 58.200 -0.085 0.000 0.922 187 S CB -2.139 61.029 63.200 -0.053 0.000 1.023 187 S HN 1.943 nan 8.310 nan 0.000 0.591 188 A N 0.237 122.748 122.820 -0.516 0.000 2.445 188 A HA 0.535 4.748 4.320 -0.179 0.000 0.242 188 A C 1.336 178.765 177.584 -0.257 0.000 1.075 188 A CA 0.224 51.885 52.037 -0.627 0.000 0.777 188 A CB 0.430 18.598 19.000 -1.388 0.000 1.013 188 A HN 0.457 nan 8.150 nan 0.000 0.493 189 V N 1.880 121.710 119.914 -0.140 0.000 2.379 189 V HA 0.090 4.103 4.120 -0.179 0.000 0.243 189 V C 0.801 176.938 176.094 0.072 0.000 1.035 189 V CA 1.861 64.153 62.300 -0.013 0.000 1.035 189 V CB -0.056 31.748 31.823 -0.031 0.000 0.673 189 V HN 0.847 nan 8.190 nan 0.000 0.457 190 V N -1.247 118.698 119.914 0.053 0.000 3.023 190 V HA 0.823 4.835 4.120 -0.179 0.000 0.294 190 V C -1.793 174.373 176.094 0.121 0.000 1.324 190 V CA 0.080 62.455 62.300 0.126 0.000 0.979 190 V CB 1.888 33.733 31.823 0.036 0.000 1.093 190 V HN 0.366 nan 8.190 nan 0.000 0.434 191 A N 4.036 126.996 122.820 0.232 0.000 2.449 191 A HA 1.041 5.254 4.320 -0.179 0.000 0.302 191 A C -0.516 177.169 177.584 0.167 0.000 1.048 191 A CA 0.065 52.238 52.037 0.226 0.000 0.708 191 A CB 2.122 21.400 19.000 0.464 0.000 1.274 191 A HN 2.154 nan 8.150 nan 0.000 0.410 192 S N 0.357 116.138 115.700 0.134 0.000 2.550 192 S HA 0.894 5.257 4.470 -0.179 0.000 0.270 192 S C -0.810 173.862 174.600 0.119 0.000 1.145 192 S CA -0.630 57.593 58.200 0.038 0.000 0.852 192 S CB 1.151 64.309 63.200 -0.070 0.000 1.119 192 S HN 1.835 nan 8.310 nan 0.000 0.465 193 F N -0.722 119.267 119.950 0.065 0.000 2.643 193 F HA 0.892 5.307 4.527 -0.186 0.000 0.314 193 F C -1.238 174.488 175.800 -0.122 0.000 1.096 193 F CA -0.796 57.148 58.000 -0.093 0.000 0.953 193 F CB 1.456 40.472 39.000 0.026 0.000 1.345 193 F HN 0.626 nan 8.300 nan 0.000 0.468 194 D N 0.825 121.204 120.400 -0.035 0.000 2.990 194 D HA 0.606 5.139 4.640 -0.179 0.000 0.227 194 D C -1.716 174.488 176.300 -0.161 0.000 1.249 194 D CA -0.209 53.709 54.000 -0.137 0.000 0.891 194 D CB 2.474 43.173 40.800 -0.168 0.000 1.647 194 D HN 1.063 nan 8.370 nan 0.000 0.530 195 A N 1.939 124.655 122.820 -0.174 0.000 2.475 195 A HA 0.793 5.006 4.320 -0.179 0.000 0.301 195 A C -0.829 176.688 177.584 -0.113 0.000 1.059 195 A CA -0.455 51.515 52.037 -0.112 0.000 0.710 195 A CB 2.067 20.782 19.000 -0.475 0.000 1.288 195 A HN 0.332 nan 8.150 nan 0.000 0.408 196 T N 1.673 116.311 114.554 0.140 0.000 2.912 196 T HA 0.718 4.961 4.350 -0.179 0.000 0.299 196 T C -1.010 173.972 174.700 0.471 0.000 1.052 196 T CA -0.185 62.029 62.100 0.190 0.000 0.996 196 T CB 0.925 69.903 68.868 0.184 0.000 1.070 196 T HN 1.021 nan 8.240 nan 0.000 0.465 197 F N -0.502 119.603 119.950 0.257 0.000 2.626 197 F HA 0.860 5.278 4.527 -0.183 0.000 0.311 197 F C -0.334 175.649 175.800 0.306 0.000 1.088 197 F CA -1.127 57.064 58.000 0.319 0.000 0.949 197 F CB 1.252 40.385 39.000 0.222 0.000 1.322 197 F HN 0.544 nan 8.300 nan 0.000 0.461 198 T N 0.398 115.238 114.554 0.477 0.000 2.856 198 T HA 0.809 5.052 4.350 -0.179 0.000 0.283 198 T C -1.112 173.869 174.700 0.468 0.000 1.008 198 T CA -0.572 61.699 62.100 0.285 0.000 0.997 198 T CB 1.542 70.498 68.868 0.146 0.000 0.992 198 T HN 0.938 nan 8.240 nan 0.000 0.454 199 F N 1.106 121.215 119.950 0.264 0.000 2.599 199 F HA 0.852 5.270 4.527 -0.181 0.000 0.311 199 F C -1.696 174.245 175.800 0.235 0.000 1.076 199 F CA -1.963 56.208 58.000 0.286 0.000 0.937 199 F CB 1.466 40.691 39.000 0.376 0.000 1.282 199 F HN 0.623 nan 8.300 nan 0.000 0.460 200 L N 3.856 125.265 121.223 0.310 0.000 2.343 200 L HA 0.639 4.871 4.340 -0.179 0.000 0.278 200 L C -1.478 175.571 176.870 0.299 0.000 0.996 200 L CA -0.493 54.480 54.840 0.222 0.000 0.831 200 L CB 1.164 43.310 42.059 0.146 0.000 1.232 200 L HN 0.712 nan 8.230 nan 0.000 0.413 201 I N 5.614 126.394 120.570 0.350 0.000 2.354 201 I HA 0.384 4.446 4.170 -0.179 0.000 0.286 201 I C -0.300 175.922 176.117 0.175 0.000 1.007 201 I CA -0.512 60.964 61.300 0.294 0.000 1.167 201 I CB 0.924 39.158 38.000 0.390 0.000 1.320 201 I HN 0.550 nan 8.210 nan 0.000 0.458 202 K N 4.095 124.570 120.400 0.125 0.000 2.259 202 K HA 0.725 4.938 4.320 -0.179 0.000 0.249 202 K C -0.851 175.791 176.600 0.069 0.000 0.942 202 K CA -0.720 55.615 56.287 0.079 0.000 0.816 202 K CB 2.599 35.140 32.500 0.067 0.000 1.155 202 K HN 0.432 nan 8.250 nan 0.000 0.428 203 S N 0.874 116.604 115.700 0.050 0.000 2.537 203 S HA 0.420 4.782 4.470 -0.179 0.000 0.270 203 S C -2.319 172.303 174.600 0.038 0.000 1.142 203 S CA -1.055 57.174 58.200 0.049 0.000 0.870 203 S CB 1.217 64.449 63.200 0.053 0.000 1.112 203 S HN 0.553 nan 8.310 nan 0.000 0.466 204 P HA 0.347 nan 4.420 nan 0.000 0.261 204 P C -0.695 176.632 177.300 0.045 0.000 1.268 204 P CA 0.065 63.187 63.100 0.036 0.000 0.833 204 P CB 0.028 31.748 31.700 0.035 0.000 1.231 205 D N -0.164 120.271 120.400 0.059 0.000 2.193 205 D HA 0.296 4.828 4.640 -0.179 0.000 0.249 205 D C 1.654 177.978 176.300 0.039 0.000 1.034 205 D CA -0.233 53.814 54.000 0.079 0.000 0.902 205 D CB 1.370 42.254 40.800 0.140 0.000 1.182 205 D HN -0.144 nan 8.370 nan 0.000 0.436 206 R N 1.335 121.850 120.500 0.024 0.000 2.096 206 R HA -0.081 4.152 4.340 -0.179 0.000 0.235 206 R C 0.303 176.575 176.300 -0.045 0.000 1.127 206 R CA 1.217 57.308 56.100 -0.014 0.000 0.968 206 R CB -0.584 29.706 30.300 -0.017 0.000 0.861 206 R HN 0.434 nan 8.270 nan 0.000 0.440 207 D N 0.246 120.599 120.400 -0.079 0.000 2.453 207 D HA 0.340 4.873 4.640 -0.179 0.000 0.238 207 D C -2.755 173.565 176.300 0.034 0.000 1.088 207 D CA -2.026 51.934 54.000 -0.068 0.000 0.854 207 D CB 1.827 42.526 40.800 -0.169 0.000 1.076 207 D HN 0.150 nan 8.370 nan 0.000 0.533 208 P HA 0.420 nan 4.420 nan 0.000 0.272 208 P C -1.074 176.331 177.300 0.174 0.000 1.223 208 P CA -0.428 62.735 63.100 0.106 0.000 0.784 208 P CB 1.055 32.799 31.700 0.073 0.000 0.923 209 A N 1.244 124.142 122.820 0.131 0.000 2.594 209 A HA 0.458 4.671 4.320 -0.179 0.000 0.295 209 A C -0.151 177.473 177.584 0.067 0.000 1.071 209 A CA -0.384 51.714 52.037 0.102 0.000 0.685 209 A CB 1.055 19.997 19.000 -0.097 0.000 1.285 209 A HN 0.463 nan 8.150 nan 0.000 0.405 210 D N -0.101 120.335 120.400 0.061 0.000 2.455 210 D HA 0.402 4.935 4.640 -0.179 0.000 0.228 210 D C 0.791 177.164 176.300 0.120 0.000 1.070 210 D CA 1.577 55.633 54.000 0.094 0.000 0.881 210 D CB 1.419 42.247 40.800 0.047 0.000 1.087 210 D HN 1.207 nan 8.370 nan 0.000 0.498 211 G N 0.441 109.296 108.800 0.091 0.000 2.362 211 G HA2 0.213 4.066 3.960 -0.179 0.000 0.288 211 G HA3 0.213 4.066 3.960 -0.179 0.000 0.288 211 G C -1.842 173.066 174.900 0.013 0.000 1.305 211 G CA -0.868 44.287 45.100 0.093 0.000 0.910 211 G HN 0.020 nan 8.290 nan 0.000 0.518 212 I N 0.858 121.403 120.570 -0.040 0.000 2.582 212 I HA 0.626 4.689 4.170 -0.179 0.000 0.292 212 I C 0.195 176.239 176.117 -0.122 0.000 1.066 212 I CA -0.735 60.496 61.300 -0.115 0.000 1.053 212 I CB 2.688 40.594 38.000 -0.157 0.000 1.241 212 I HN 0.881 nan 8.210 nan 0.000 0.421 213 T N 2.273 116.745 114.554 -0.137 0.000 2.907 213 T HA 0.616 4.858 4.350 -0.179 0.000 0.292 213 T C -1.018 173.650 174.700 -0.054 0.000 1.043 213 T CA -0.629 61.443 62.100 -0.047 0.000 1.003 213 T CB 2.004 70.854 68.868 -0.031 0.000 1.084 213 T HN 0.345 nan 8.240 nan 0.000 0.483 214 F N 4.435 124.362 119.950 -0.038 0.000 2.436 214 F HA 0.722 5.143 4.527 -0.176 0.000 0.340 214 F C -1.289 174.589 175.800 0.130 0.000 1.113 214 F CA -1.413 56.564 58.000 -0.038 0.000 1.022 214 F CB 0.936 40.015 39.000 0.130 0.000 1.128 214 F HN 0.757 nan 8.300 nan 0.000 0.466 215 F N 5.053 124.421 119.950 -0.971 0.000 2.643 215 F HA 0.827 5.249 4.527 -0.174 0.000 0.314 215 F C -2.062 173.271 175.800 -0.780 0.000 1.096 215 F CA -1.785 55.807 58.000 -0.679 0.000 0.953 215 F CB 1.226 39.992 39.000 -0.391 0.000 1.345 215 F HN 0.281 nan 8.300 nan 0.000 0.468 216 I N 2.154 122.459 120.570 -0.441 0.000 2.499 216 I HA 0.795 4.858 4.170 -0.179 0.000 0.288 216 I C -0.553 175.488 176.117 -0.126 0.000 1.048 216 I CA -0.807 60.246 61.300 -0.412 0.000 1.062 216 I CB 1.733 39.532 38.000 -0.335 0.000 1.238 216 I HN 1.062 nan 8.210 nan 0.000 0.426 217 A N 5.064 127.820 122.820 -0.106 0.000 2.564 217 A HA 0.611 4.824 4.320 -0.179 0.000 0.288 217 A C -1.010 176.579 177.584 0.007 0.000 1.164 217 A CA -0.883 51.164 52.037 0.016 0.000 0.712 217 A CB 1.274 20.349 19.000 0.126 0.000 1.303 217 A HN 0.739 nan 8.150 nan 0.000 0.418 218 N N 0.296 119.015 118.700 0.031 0.000 2.441 218 N HA -0.021 4.612 4.740 -0.179 0.000 0.251 218 N C 1.118 176.641 175.510 0.022 0.000 1.242 218 N CA 0.781 53.855 53.050 0.041 0.000 0.898 218 N CB 0.379 38.890 38.487 0.039 0.000 1.100 218 N HN 0.835 nan 8.380 nan 0.000 0.443 219 T N -2.039 112.532 114.554 0.027 0.000 2.737 219 T HA -0.256 3.986 4.350 -0.179 0.000 0.269 219 T C 0.837 175.511 174.700 -0.043 0.000 1.040 219 T CA 1.575 63.670 62.100 -0.009 0.000 1.142 219 T CB -0.452 68.406 68.868 -0.016 0.000 0.861 219 T HN 0.736 nan 8.240 nan 0.000 0.456 220 D N 1.337 121.716 120.400 -0.035 0.000 2.352 220 D HA 0.080 4.613 4.640 -0.179 0.000 0.236 220 D C 0.572 176.855 176.300 -0.029 0.000 1.148 220 D CA -0.183 53.790 54.000 -0.045 0.000 0.844 220 D CB -0.828 39.944 40.800 -0.046 0.000 0.933 220 D HN 0.361 nan 8.370 nan 0.000 0.507 221 T N 0.440 114.988 114.554 -0.011 0.000 2.946 221 T HA 0.234 4.476 4.350 -0.179 0.000 0.312 221 T C 0.127 174.822 174.700 -0.008 0.000 1.066 221 T CA 0.170 62.272 62.100 0.003 0.000 1.138 221 T CB 0.341 69.246 68.868 0.061 0.000 1.014 221 T HN 0.392 nan 8.240 nan 0.000 0.544 222 S N 3.922 119.601 115.700 -0.036 0.000 2.618 222 S HA 0.584 4.947 4.470 -0.179 0.000 0.277 222 S C -0.471 174.076 174.600 -0.089 0.000 1.138 222 S CA -1.151 57.020 58.200 -0.049 0.000 0.844 222 S CB 0.876 64.050 63.200 -0.044 0.000 1.127 222 S HN 0.708 nan 8.310 nan 0.000 0.474 223 I N 2.447 122.961 120.570 -0.093 0.000 2.505 223 I HA 0.222 4.285 4.170 -0.179 0.000 0.287 223 I C -2.147 173.910 176.117 -0.100 0.000 1.104 223 I CA -1.509 59.717 61.300 -0.123 0.000 1.387 223 I CB 0.069 38.005 38.000 -0.108 0.000 1.404 223 I HN 0.464 nan 8.210 nan 0.000 0.528 224 P HA 0.101 nan 4.420 nan 0.000 0.271 224 P C -0.412 176.852 177.300 -0.060 0.000 1.216 224 P CA -0.280 62.773 63.100 -0.078 0.000 0.776 224 P CB 0.530 32.181 31.700 -0.080 0.000 0.881 225 S N 1.786 117.460 115.700 -0.043 0.000 2.558 225 S HA 0.270 4.633 4.470 -0.179 0.000 0.293 225 S C 1.514 176.097 174.600 -0.029 0.000 1.292 225 S CA 1.137 59.317 58.200 -0.034 0.000 1.063 225 S CB -0.670 62.515 63.200 -0.026 0.000 0.831 225 S HN 0.939 nan 8.310 nan 0.000 0.499 226 G N 2.154 110.937 108.800 -0.029 0.000 2.160 226 G HA2 -0.302 3.550 3.960 -0.179 0.000 0.251 226 G HA3 -0.302 3.550 3.960 -0.179 0.000 0.251 226 G C 0.560 175.449 174.900 -0.018 0.000 1.008 226 G CA 0.439 45.526 45.100 -0.021 0.000 0.724 226 G HN 1.135 nan 8.290 nan 0.000 0.514 227 S N -0.653 115.028 115.700 -0.033 0.000 2.597 227 S HA 0.553 4.916 4.470 -0.179 0.000 0.224 227 S C 1.438 176.013 174.600 -0.042 0.000 0.955 227 S CA 0.668 58.848 58.200 -0.035 0.000 0.933 227 S CB 0.646 63.799 63.200 -0.078 0.000 0.788 227 S HN 1.465 nan 8.310 nan 0.000 0.488 228 G N 0.690 109.466 108.800 -0.039 0.000 2.683 228 G HA2 0.457 4.310 3.960 -0.179 0.000 0.260 228 G HA3 0.457 4.310 3.960 -0.179 0.000 0.260 228 G C 0.989 175.872 174.900 -0.029 0.000 1.238 228 G CA -0.109 44.965 45.100 -0.043 0.000 0.934 228 G HN 1.065 nan 8.290 nan 0.000 0.534 229 G N 0.612 109.391 108.800 -0.034 0.000 2.660 229 G HA2 -0.429 3.424 3.960 -0.179 0.000 0.321 229 G HA3 -0.429 3.424 3.960 -0.179 0.000 0.321 229 G C 1.575 176.478 174.900 0.006 0.000 1.246 229 G CA 1.927 47.011 45.100 -0.027 0.000 1.000 229 G HN 1.375 nan 8.290 nan 0.000 0.550 230 R N 0.924 121.443 120.500 0.032 0.000 2.293 230 R HA 0.194 4.426 4.340 -0.179 0.000 0.219 230 R C 2.202 178.545 176.300 0.071 0.000 1.091 230 R CA 1.704 57.849 56.100 0.075 0.000 1.004 230 R CB -0.353 30.005 30.300 0.096 0.000 0.865 230 R HN 0.502 nan 8.270 nan 0.000 0.469 231 L N 1.064 122.319 121.223 0.053 0.000 2.592 231 L HA 0.219 4.451 4.340 -0.179 0.000 0.227 231 L C 0.593 177.501 176.870 0.062 0.000 1.127 231 L CA -0.073 54.822 54.840 0.093 0.000 0.884 231 L CB -0.106 42.006 42.059 0.090 0.000 1.065 231 L HN 0.205 nan 8.230 nan 0.000 0.457 232 L N 0.385 121.609 121.223 0.002 0.000 4.367 232 L HA -0.310 3.923 4.340 -0.179 0.000 0.424 232 L C 1.193 177.961 176.870 -0.171 0.000 1.152 232 L CA 0.401 55.204 54.840 -0.062 0.000 0.974 232 L CB -2.344 39.694 42.059 -0.034 0.000 2.012 232 L HN 0.564 nan 8.230 nan 0.000 0.922 233 G N -1.081 107.617 108.800 -0.170 0.000 2.162 233 G HA2 -0.330 3.523 3.960 -0.179 0.000 0.260 233 G HA3 -0.330 3.523 3.960 -0.179 0.000 0.260 233 G C 0.629 175.284 174.900 -0.407 0.000 0.976 233 G CA 0.550 45.501 45.100 -0.248 0.000 0.655 233 G HN 0.416 nan 8.290 nan 0.000 0.533 234 L N -2.162 118.774 121.223 -0.479 0.000 2.467 234 L HA 0.485 4.718 4.340 -0.179 0.000 0.213 234 L C 0.610 176.933 176.870 -0.911 0.000 1.053 234 L CA 0.279 54.594 54.840 -0.874 0.000 0.847 234 L CB 0.186 41.527 42.059 -1.196 0.000 1.075 234 L HN 0.117 nan 8.230 nan 0.000 0.479 235 F N 0.066 119.928 119.950 -0.147 0.000 2.532 235 F HA 0.394 4.813 4.527 -0.179 0.000 0.321 235 F C -1.692 174.061 175.800 -0.078 0.000 1.089 235 F CA -2.154 55.787 58.000 -0.098 0.000 0.926 235 F CB 0.953 39.906 39.000 -0.078 0.000 1.168 235 F HN -0.294 nan 8.300 nan 0.000 0.459 236 P HA 0.025 nan 4.420 nan 0.000 0.231 236 P C -0.741 176.589 177.300 0.050 0.000 1.168 236 P CA 0.931 64.060 63.100 0.048 0.000 0.779 236 P CB 0.340 32.057 31.700 0.029 0.000 0.844 237 D N -1.707 118.736 120.400 0.072 0.000 2.664 237 D HA 0.467 5.000 4.640 -0.179 0.000 0.292 237 D C -0.300 176.002 176.300 0.002 0.000 1.214 237 D CA -1.049 52.968 54.000 0.028 0.000 0.932 237 D CB 0.067 40.873 40.800 0.009 0.000 1.420 237 D HN -0.175 nan 8.370 nan 0.000 0.471 238 A N -0.305 122.497 122.820 -0.029 0.000 2.500 238 A HA 0.249 4.461 4.320 -0.179 0.000 0.267 238 A C 0.123 177.650 177.584 -0.096 0.000 1.290 238 A CA -0.398 51.600 52.037 -0.065 0.000 0.928 238 A CB -0.861 18.117 19.000 -0.036 0.000 1.066 238 A HN 0.388 nan 8.150 nan 0.000 0.516 239 N N 0.000 118.645 118.700 -0.091 0.000 1.763 239 N HA 0.000 4.633 4.740 -0.179 0.000 0.220 239 N CA 0.000 52.996 53.050 -0.090 0.000 0.885 239 N CB 0.000 38.453 38.487 -0.057 0.000 1.341 239 N HN 0.000 nan 8.380 nan 0.000 0.667