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 1qnw_1_A DATA FIRST_RESID 3 DATA SEQUENCE SDDLSFNFDK FVPNQKNIIF QGDASVSTTG VLQVTKVSXX TTTSIGRALY DATA SEQUENCE AAPIQIWDSI TGKVASFATS FSFVVKADKS DGVDGLAFFL APANSQIPSG DATA SEQUENCE SSAGMFGLFS SSDSKSSNQI IAVEFDTYFG KAYNPWDPDF KHIGIDVNSI DATA SEQUENCE KSIKTVKWDW RNGEVADVVI TYRAPTKSLT VCLSYPSDGT SNIITASVDL DATA SEQUENCE KAILPEWVSV GFSGGVGNAA EFETHDVLSW YFTSNLE 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 S HA 0.000 nan 4.470 nan 0.000 0.327 3 S C 0.000 174.603 174.600 0.006 0.000 1.055 3 S CA 0.000 58.203 58.200 0.005 0.000 1.107 3 S CB 0.000 63.200 63.200 0.000 0.000 0.593 4 D N 2.910 123.310 120.400 -0.001 0.000 2.703 4 D HA 0.141 4.781 4.640 -0.000 0.000 0.225 4 D C 0.368 176.671 176.300 0.005 0.000 1.119 4 D CA 0.355 54.352 54.000 -0.006 0.000 0.845 4 D CB 0.436 41.222 40.800 -0.023 0.000 1.182 4 D HN 0.396 nan 8.370 nan 0.000 0.493 5 D N 0.565 120.971 120.400 0.011 0.000 2.106 5 D HA -0.096 4.544 4.640 -0.000 0.000 0.191 5 D C 0.751 177.078 176.300 0.045 0.000 0.997 5 D CA 1.111 55.130 54.000 0.032 0.000 0.834 5 D CB 0.066 40.887 40.800 0.034 0.000 0.956 5 D HN 0.243 nan 8.370 nan 0.000 0.448 6 L N -1.631 119.609 121.223 0.028 0.000 2.466 6 L HA 0.517 4.857 4.340 -0.000 0.000 0.258 6 L C -1.627 175.205 176.870 -0.062 0.000 0.973 6 L CA -0.470 54.393 54.840 0.038 0.000 0.826 6 L CB 2.537 44.671 42.059 0.125 0.000 1.372 6 L HN -0.193 nan 8.230 nan 0.000 0.409 7 S N 3.247 118.897 115.700 -0.083 0.000 2.616 7 S HA 0.737 5.207 4.470 -0.000 0.000 0.276 7 S C -1.478 173.005 174.600 -0.196 0.000 1.159 7 S CA -0.485 57.568 58.200 -0.245 0.000 1.000 7 S CB 0.269 63.389 63.200 -0.133 0.000 1.117 7 S HN 0.725 nan 8.310 nan 0.000 0.464 8 F N 2.521 122.195 119.950 -0.460 0.000 2.603 8 F HA 0.892 5.419 4.527 -0.000 0.000 0.317 8 F C -0.708 174.722 175.800 -0.616 0.000 1.066 8 F CA -1.038 56.625 58.000 -0.562 0.000 0.941 8 F CB 1.340 39.858 39.000 -0.804 0.000 1.291 8 F HN 0.516 nan 8.300 nan 0.000 0.472 9 N N 1.097 119.612 118.700 -0.308 0.000 2.425 9 N HA 0.539 5.279 4.740 -0.000 0.000 0.289 9 N C -2.371 172.969 175.510 -0.283 0.000 1.074 9 N CA -0.445 52.483 53.050 -0.203 0.000 0.905 9 N CB 1.236 39.776 38.487 0.088 0.000 1.586 9 N HN 0.547 nan 8.380 nan 0.000 0.490 10 F N 1.990 122.008 119.950 0.114 0.000 2.382 10 F HA 0.364 4.891 4.527 -0.000 0.000 0.361 10 F C 0.887 176.627 175.800 -0.099 0.000 1.109 10 F CA -0.997 56.961 58.000 -0.070 0.000 1.031 10 F CB 1.481 40.307 39.000 -0.291 0.000 1.234 10 F HN 0.482 nan 8.300 nan 0.000 0.445 11 D N 1.483 121.943 120.400 0.100 0.000 2.269 11 D HA -0.049 4.591 4.640 -0.000 0.000 0.208 11 D C 0.756 177.074 176.300 0.030 0.000 0.963 11 D CA 1.191 55.233 54.000 0.070 0.000 0.864 11 D CB 0.611 41.449 40.800 0.063 0.000 0.936 11 D HN 0.443 nan 8.370 nan 0.000 0.505 12 K N -1.027 119.341 120.400 -0.053 0.000 2.607 12 K HA 0.303 4.623 4.320 -0.000 0.000 0.287 12 K C -1.688 174.776 176.600 -0.227 0.000 0.996 12 K CA -0.593 55.661 56.287 -0.055 0.000 0.876 12 K CB 1.118 33.654 32.500 0.059 0.000 1.496 12 K HN -0.292 nan 8.250 nan 0.000 0.415 13 F N 0.808 120.833 119.950 0.126 0.000 2.523 13 F HA 0.544 5.071 4.527 -0.000 0.000 0.329 13 F C -0.063 175.776 175.800 0.065 0.000 1.061 13 F CA -0.734 57.306 58.000 0.066 0.000 0.967 13 F CB 1.954 40.993 39.000 0.065 0.000 1.218 13 F HN 0.190 nan 8.300 nan 0.000 0.480 14 V N -0.298 119.762 119.914 0.242 0.000 2.735 14 V HA 0.630 4.750 4.120 -0.000 0.000 0.310 14 V C -2.763 173.412 176.094 0.135 0.000 1.061 14 V CA -2.868 59.523 62.300 0.153 0.000 0.913 14 V CB 1.494 33.382 31.823 0.108 0.000 1.005 14 V HN 0.524 nan 8.190 nan 0.000 0.428 15 P HA 0.056 nan 4.420 nan 0.000 0.261 15 P C -0.174 177.133 177.300 0.012 0.000 1.183 15 P CA 0.739 63.848 63.100 0.014 0.000 0.761 15 P CB -0.155 31.544 31.700 -0.001 0.000 0.785 16 N N -0.255 118.416 118.700 -0.048 0.000 2.727 16 N HA -0.207 4.533 4.740 -0.000 0.000 0.251 16 N C -0.088 175.508 175.510 0.143 0.000 1.040 16 N CA 0.456 53.509 53.050 0.005 0.000 0.712 16 N CB -1.352 37.124 38.487 -0.019 0.000 0.912 16 N HN 0.607 nan 8.380 nan 0.000 0.545 17 Q N 0.616 120.579 119.800 0.271 0.000 2.286 17 Q HA 0.096 4.436 4.340 -0.000 0.000 0.267 17 Q C 0.799 176.903 176.000 0.174 0.000 1.028 17 Q CA -0.096 55.830 55.803 0.204 0.000 0.901 17 Q CB 0.675 29.536 28.738 0.204 0.000 1.183 17 Q HN 0.166 nan 8.270 nan 0.000 0.392 18 K N 1.767 122.221 120.400 0.089 0.000 2.283 18 K HA -0.107 4.213 4.320 -0.000 0.000 0.202 18 K C 0.805 177.388 176.600 -0.028 0.000 1.048 18 K CA 0.985 57.297 56.287 0.042 0.000 0.948 18 K CB 0.145 32.661 32.500 0.026 0.000 0.742 18 K HN 0.634 nan 8.250 nan 0.000 0.458 19 N N 0.134 118.810 118.700 -0.039 0.000 2.313 19 N HA -0.007 4.733 4.740 -0.000 0.000 0.207 19 N C -0.522 174.872 175.510 -0.194 0.000 1.141 19 N CA 0.160 53.136 53.050 -0.123 0.000 0.830 19 N CB 0.285 38.772 38.487 -0.000 0.000 1.008 19 N HN -0.063 nan 8.380 nan 0.000 0.481 20 I N 1.239 121.680 120.570 -0.215 0.000 2.498 20 I HA 0.383 4.553 4.170 -0.000 0.000 0.290 20 I C -0.246 175.551 176.117 -0.534 0.000 1.032 20 I CA -1.018 60.048 61.300 -0.389 0.000 1.073 20 I CB 1.987 39.633 38.000 -0.591 0.000 1.251 20 I HN -0.067 nan 8.210 nan 0.000 0.426 21 I N 6.117 126.425 120.570 -0.437 0.000 2.304 21 I HA 0.246 4.416 4.170 -0.000 0.000 0.291 21 I C -0.610 175.296 176.117 -0.351 0.000 1.018 21 I CA -0.360 60.765 61.300 -0.291 0.000 1.260 21 I CB 0.456 38.358 38.000 -0.164 0.000 1.390 21 I HN 0.255 nan 8.210 nan 0.000 0.475 22 F N 5.172 125.110 119.950 -0.020 0.000 2.411 22 F HA 0.433 4.960 4.527 -0.000 0.000 0.350 22 F C 0.440 176.232 175.800 -0.013 0.000 1.114 22 F CA -0.372 57.618 58.000 -0.017 0.000 1.135 22 F CB 0.874 39.860 39.000 -0.023 0.000 1.120 22 F HN 0.395 nan 8.300 nan 0.000 0.495 23 Q N 1.571 121.461 119.800 0.149 0.000 2.375 23 Q HA 0.620 4.960 4.340 -0.000 0.000 0.271 23 Q C 0.459 176.504 176.000 0.074 0.000 1.074 23 Q CA -0.547 55.305 55.803 0.081 0.000 0.808 23 Q CB 2.519 31.281 28.738 0.039 0.000 1.327 23 Q HN 0.909 nan 8.270 nan 0.000 0.441 24 G N 2.202 111.029 108.800 0.045 0.000 2.531 24 G HA2 -0.299 3.661 3.960 -0.000 0.000 0.274 24 G HA3 -0.299 3.661 3.960 -0.000 0.000 0.274 24 G C -0.120 174.804 174.900 0.040 0.000 1.159 24 G CA 0.288 45.408 45.100 0.032 0.000 0.969 24 G HN 0.724 nan 8.290 nan 0.000 0.554 25 D N 1.953 122.378 120.400 0.042 0.000 2.339 25 D HA 0.455 5.095 4.640 -0.000 0.000 0.217 25 D C 1.428 177.755 176.300 0.046 0.000 1.050 25 D CA 0.868 54.891 54.000 0.038 0.000 0.856 25 D CB -0.061 40.766 40.800 0.045 0.000 0.922 25 D HN 0.860 nan 8.370 nan 0.000 0.518 26 A N 1.005 123.877 122.820 0.086 0.000 2.498 26 A HA 0.452 4.772 4.320 -0.000 0.000 0.239 26 A C 0.730 178.358 177.584 0.074 0.000 1.068 26 A CA 0.120 52.237 52.037 0.133 0.000 0.766 26 A CB 0.265 19.398 19.000 0.222 0.000 1.003 26 A HN 0.190 nan 8.150 nan 0.000 0.497 27 S N -0.122 115.570 115.700 -0.012 0.000 2.643 27 S HA 0.519 4.989 4.470 -0.000 0.000 0.266 27 S C -1.066 173.441 174.600 -0.155 0.000 1.130 27 S CA -0.073 57.926 58.200 -0.335 0.000 0.817 27 S CB 0.837 63.863 63.200 -0.291 0.000 1.107 27 S HN 2.103 nan 8.310 nan 0.000 0.471 28 V N 2.092 121.881 119.914 -0.209 0.000 2.448 28 V HA 0.801 4.921 4.120 -0.000 0.000 0.295 28 V C 0.299 176.371 176.094 -0.037 0.000 1.025 28 V CA 0.306 62.575 62.300 -0.052 0.000 0.859 28 V CB 1.255 33.116 31.823 0.063 0.000 0.988 28 V HN 1.571 nan 8.190 nan 0.000 0.431 29 S N 3.848 119.551 115.700 0.005 0.000 2.617 29 S HA 0.133 4.603 4.470 -0.000 0.000 0.259 29 S C 1.392 176.012 174.600 0.034 0.000 1.301 29 S CA 0.323 58.533 58.200 0.016 0.000 0.984 29 S CB 0.978 64.199 63.200 0.035 0.000 0.954 29 S HN 1.369 nan 8.310 nan 0.000 0.572 30 T N -2.444 112.128 114.554 0.029 0.000 3.035 30 T HA -0.059 4.291 4.350 -0.000 0.000 0.268 30 T C 1.514 176.245 174.700 0.052 0.000 1.109 30 T CA 1.167 63.289 62.100 0.035 0.000 1.119 30 T CB -1.382 67.501 68.868 0.025 0.000 0.900 30 T HN 0.846 nan 8.240 nan 0.000 0.503 31 T N -1.671 112.919 114.554 0.060 0.000 3.148 31 T HA 0.442 4.792 4.350 -0.000 0.000 0.253 31 T C 1.757 176.516 174.700 0.099 0.000 1.134 31 T CA 0.223 62.366 62.100 0.071 0.000 1.051 31 T CB -0.465 68.444 68.868 0.067 0.000 0.959 31 T HN 0.876 nan 8.240 nan 0.000 0.525 32 G N 0.782 109.651 108.800 0.116 0.000 2.137 32 G HA2 -0.169 3.791 3.960 -0.000 0.000 0.237 32 G HA3 -0.169 3.791 3.960 -0.000 0.000 0.237 32 G C 0.060 175.116 174.900 0.260 0.000 1.002 32 G CA 0.066 45.272 45.100 0.176 0.000 0.702 32 G HN 1.385 nan 8.290 nan 0.000 0.515 33 V N -0.863 119.165 119.914 0.189 0.000 2.581 33 V HA 0.866 4.986 4.120 -0.000 0.000 0.303 33 V C 0.375 176.492 176.094 0.037 0.000 1.041 33 V CA -1.253 61.159 62.300 0.186 0.000 0.907 33 V CB 1.806 33.712 31.823 0.137 0.000 0.994 33 V HN 0.989 nan 8.190 nan 0.000 0.442 34 L N 5.597 126.719 121.223 -0.169 0.000 2.342 34 L HA 0.450 4.790 4.340 -0.000 0.000 0.285 34 L C 0.291 177.063 176.870 -0.163 0.000 1.095 34 L CA 0.569 55.192 54.840 -0.361 0.000 0.843 34 L CB 0.416 41.914 42.059 -0.935 0.000 1.201 34 L HN 0.841 nan 8.230 nan 0.000 0.445 35 Q N 4.142 123.906 119.800 -0.061 0.000 2.490 35 Q HA 0.123 4.463 4.340 -0.000 0.000 0.226 35 Q C 1.160 177.172 176.000 0.020 0.000 1.132 35 Q CA -0.060 55.745 55.803 0.003 0.000 0.928 35 Q CB 1.408 30.166 28.738 0.034 0.000 1.299 35 Q HN 0.792 nan 8.270 nan 0.000 0.528 36 V N 0.654 120.576 119.914 0.014 0.000 2.913 36 V HA -0.030 4.090 4.120 -0.000 0.000 0.260 36 V C 0.562 176.705 176.094 0.082 0.000 1.098 36 V CA 1.269 63.593 62.300 0.039 0.000 1.121 36 V CB 0.484 32.310 31.823 0.006 0.000 0.714 36 V HN 0.503 nan 8.190 nan 0.000 0.487 37 T N 0.948 115.577 114.554 0.124 0.000 2.856 37 T HA 0.351 4.701 4.350 -0.000 0.000 0.283 37 T C -0.530 174.263 174.700 0.155 0.000 1.008 37 T CA -0.600 61.598 62.100 0.164 0.000 0.997 37 T CB 1.654 70.714 68.868 0.319 0.000 0.992 37 T HN 0.549 nan 8.240 nan 0.000 0.454 38 K N 2.774 123.269 120.400 0.158 0.000 2.379 38 K HA 0.367 4.687 4.320 -0.000 0.000 0.284 38 K C -0.236 176.519 176.600 0.257 0.000 1.044 38 K CA -0.476 55.902 56.287 0.152 0.000 0.974 38 K CB 0.237 32.799 32.500 0.104 0.000 0.962 38 K HN 0.415 nan 8.250 nan 0.000 0.474 39 V N 1.971 122.008 119.914 0.205 0.000 2.384 39 V HA 0.735 4.855 4.120 -0.000 0.000 0.287 39 V C -0.638 175.493 176.094 0.062 0.000 1.020 39 V CA -0.045 62.411 62.300 0.261 0.000 0.850 39 V CB 0.789 32.775 31.823 0.272 0.000 0.987 39 V HN 0.927 nan 8.190 nan 0.000 0.436 44 T N 0.700 115.235 114.554 -0.032 0.000 2.733 44 T HA 0.560 4.910 4.350 -0.000 0.000 0.312 44 T C -0.625 174.122 174.700 0.078 0.000 1.590 44 T CA -0.103 62.008 62.100 0.018 0.000 1.005 44 T CB 1.516 70.385 68.868 0.002 0.000 1.528 44 T HN 0.989 nan 8.240 nan 0.000 0.496 45 T N 2.410 116.990 114.554 0.044 0.000 2.932 45 T HA 0.514 4.864 4.350 -0.000 0.000 0.312 45 T C -0.290 174.440 174.700 0.051 0.000 1.071 45 T CA 0.229 62.351 62.100 0.037 0.000 1.128 45 T CB 0.591 69.453 68.868 -0.009 0.000 0.984 45 T HN 0.687 nan 8.240 nan 0.000 0.549 46 S N 1.616 117.350 115.700 0.056 0.000 2.537 46 S HA 0.709 5.179 4.470 -0.000 0.000 0.271 46 S C -1.738 172.886 174.600 0.039 0.000 1.148 46 S CA -0.820 57.416 58.200 0.061 0.000 0.868 46 S CB 0.773 64.041 63.200 0.114 0.000 1.115 46 S HN 0.584 nan 8.310 nan 0.000 0.461 47 I N 2.316 122.902 120.570 0.028 0.000 2.607 47 I HA 0.652 4.822 4.170 -0.000 0.000 0.290 47 I C 0.065 176.196 176.117 0.022 0.000 1.129 47 I CA -0.551 60.757 61.300 0.012 0.000 1.042 47 I CB 2.287 40.278 38.000 -0.014 0.000 1.242 47 I HN 0.794 nan 8.210 nan 0.000 0.421 48 G N 5.271 114.087 108.800 0.027 0.000 2.718 48 G HA2 0.777 4.737 3.960 -0.000 0.000 0.295 48 G HA3 0.777 4.737 3.960 -0.000 0.000 0.295 48 G C -1.593 173.334 174.900 0.045 0.000 1.421 48 G CA -0.723 44.403 45.100 0.044 0.000 0.902 48 G HN 0.504 nan 8.290 nan 0.000 0.501 49 R N -0.462 120.077 120.500 0.065 0.000 2.698 49 R HA 0.764 5.104 4.340 -0.000 0.000 0.275 49 R C -1.195 175.152 176.300 0.079 0.000 1.001 49 R CA -0.982 55.174 56.100 0.093 0.000 0.896 49 R CB 2.653 33.006 30.300 0.087 0.000 1.218 49 R HN 0.828 nan 8.270 nan 0.000 0.462 50 A N 3.546 126.395 122.820 0.048 0.000 2.375 50 A HA 0.626 4.946 4.320 -0.000 0.000 0.295 50 A C -0.913 176.601 177.584 -0.116 0.000 1.066 50 A CA -0.679 51.301 52.037 -0.094 0.000 0.722 50 A CB 0.924 19.856 19.000 -0.114 0.000 1.206 50 A HN 0.550 nan 8.150 nan 0.000 0.435 51 L N 1.484 122.618 121.223 -0.147 0.000 2.333 51 L HA 0.479 4.819 4.340 -0.000 0.000 0.269 51 L C -0.415 176.442 176.870 -0.023 0.000 1.010 51 L CA -1.085 53.686 54.840 -0.114 0.000 0.818 51 L CB 1.524 43.505 42.059 -0.131 0.000 1.306 51 L HN 0.765 nan 8.230 nan 0.000 0.430 52 Y N 1.037 121.312 120.300 -0.041 0.000 2.442 52 Y HA 0.201 4.751 4.550 -0.000 0.000 0.330 52 Y C 1.096 176.896 175.900 -0.166 0.000 1.129 52 Y CA -0.073 57.950 58.100 -0.128 0.000 1.365 52 Y CB 1.561 39.834 38.460 -0.312 0.000 1.233 52 Y HN 0.713 nan 8.280 nan 0.000 0.529 53 A N 5.125 127.497 122.820 -0.745 0.000 2.032 53 A HA 0.100 4.420 4.320 -0.000 0.000 0.221 53 A C 1.106 178.379 177.584 -0.519 0.000 1.165 53 A CA 1.316 53.013 52.037 -0.568 0.000 0.645 53 A CB -0.918 17.802 19.000 -0.468 0.000 0.807 53 A HN 0.892 nan 8.150 nan 0.000 0.453 54 A N -0.133 122.241 122.820 -0.743 0.000 2.304 54 A HA 0.651 4.971 4.320 -0.000 0.000 0.323 54 A C -2.690 174.876 177.584 -0.030 0.000 1.195 54 A CA -1.789 50.073 52.037 -0.291 0.000 0.826 54 A CB 0.477 19.369 19.000 -0.180 0.000 1.184 54 A HN 0.156 nan 8.150 nan 0.000 0.496 55 P HA 0.399 nan 4.420 nan 0.000 0.272 55 P C -0.836 176.660 177.300 0.327 0.000 1.230 55 P CA 0.099 63.294 63.100 0.157 0.000 0.788 55 P CB 0.497 32.288 31.700 0.152 0.000 0.949 56 I N 0.670 121.415 120.570 0.292 0.000 2.545 56 I HA 0.267 4.437 4.170 -0.000 0.000 0.292 56 I C 0.206 176.275 176.117 -0.080 0.000 1.040 56 I CA -0.802 60.608 61.300 0.183 0.000 1.068 56 I CB 2.011 40.062 38.000 0.085 0.000 1.251 56 I HN 0.231 nan 8.210 nan 0.000 0.424 57 Q N 4.396 123.909 119.800 -0.479 0.000 2.361 57 Q HA 0.217 4.557 4.340 -0.000 0.000 0.250 57 Q C 0.327 176.076 176.000 -0.418 0.000 1.023 57 Q CA -0.140 55.055 55.803 -1.014 0.000 0.915 57 Q CB 0.912 28.828 28.738 -1.370 0.000 1.238 57 Q HN 0.648 nan 8.270 nan 0.000 0.451 58 I N 5.713 126.107 120.570 -0.292 0.000 3.030 58 I HA 0.093 4.263 4.170 -0.000 0.000 0.270 58 I C -0.476 175.736 176.117 0.159 0.000 1.211 58 I CA 0.519 61.816 61.300 -0.004 0.000 1.479 58 I CB 0.292 38.336 38.000 0.074 0.000 1.105 58 I HN 0.627 nan 8.210 nan 0.000 0.447 59 W N -0.767 120.432 121.300 -0.169 0.000 3.275 59 W HA 0.412 5.072 4.660 -0.000 0.000 0.306 59 W C -1.848 174.580 176.519 -0.151 0.000 1.259 59 W CA -1.211 56.070 57.345 -0.107 0.000 1.194 59 W CB 0.352 29.786 29.460 -0.044 0.000 1.375 59 W HN -0.181 nan 8.180 nan 0.000 0.564 60 D N 1.109 121.579 120.400 0.117 0.000 2.308 60 D HA 0.340 4.980 4.640 -0.000 0.000 0.242 60 D C 1.108 177.496 176.300 0.147 0.000 1.059 60 D CA -0.218 53.752 54.000 -0.049 0.000 0.830 60 D CB 2.230 43.027 40.800 -0.005 0.000 1.161 60 D HN 0.346 nan 8.370 nan 0.000 0.494 61 S N 2.956 118.627 115.700 -0.049 0.000 2.461 61 S HA -0.039 4.431 4.470 -0.000 0.000 0.228 61 S C 1.899 176.582 174.600 0.139 0.000 1.005 61 S CA 0.167 58.474 58.200 0.179 0.000 0.942 61 S CB -0.267 62.948 63.200 0.025 0.000 0.776 61 S HN 0.594 nan 8.310 nan 0.000 0.514 62 I N 2.628 123.239 120.570 0.069 0.000 2.141 62 I HA -0.132 4.038 4.170 -0.000 0.000 0.236 62 I C 3.057 179.217 176.117 0.072 0.000 1.071 62 I CA 1.690 63.026 61.300 0.060 0.000 1.345 62 I CB -0.840 37.183 38.000 0.038 0.000 1.066 62 I HN 0.488 nan 8.210 nan 0.000 0.406 63 T N -2.008 112.589 114.554 0.072 0.000 3.043 63 T HA 0.201 4.551 4.350 -0.000 0.000 0.263 63 T C 1.651 176.404 174.700 0.089 0.000 1.094 63 T CA 0.654 62.795 62.100 0.068 0.000 1.127 63 T CB 0.336 69.236 68.868 0.054 0.000 0.905 63 T HN 0.604 nan 8.240 nan 0.000 0.490 64 G N 1.545 110.430 108.800 0.142 0.000 2.199 64 G HA2 -0.264 3.696 3.960 -0.000 0.000 0.254 64 G HA3 -0.264 3.696 3.960 -0.000 0.000 0.254 64 G C 0.087 175.074 174.900 0.145 0.000 0.982 64 G CA 0.162 45.356 45.100 0.157 0.000 0.632 64 G HN 0.683 nan 8.290 nan 0.000 0.529 65 K N 0.177 120.656 120.400 0.131 0.000 2.414 65 K HA 0.442 4.762 4.320 -0.000 0.000 0.272 65 K C 0.249 176.950 176.600 0.170 0.000 0.993 65 K CA 0.145 56.499 56.287 0.112 0.000 0.964 65 K CB 1.379 33.928 32.500 0.081 0.000 0.925 65 K HN 0.103 nan 8.250 nan 0.000 0.487 66 V N 1.486 121.485 119.914 0.143 0.000 2.769 66 V HA 0.460 4.580 4.120 -0.000 0.000 0.312 66 V C -0.266 175.938 176.094 0.182 0.000 1.061 66 V CA -1.083 61.334 62.300 0.196 0.000 0.931 66 V CB 1.767 33.687 31.823 0.162 0.000 1.010 66 V HN 0.915 nan 8.190 nan 0.000 0.433 67 A N 2.550 125.505 122.820 0.225 0.000 2.327 67 A HA 0.730 5.050 4.320 -0.000 0.000 0.283 67 A C 0.209 177.981 177.584 0.313 0.000 1.127 67 A CA -0.225 51.940 52.037 0.212 0.000 0.810 67 A CB 0.654 19.765 19.000 0.184 0.000 1.066 67 A HN 0.738 nan 8.150 nan 0.000 0.492 68 S N 0.432 116.250 115.700 0.196 0.000 2.541 68 S HA 0.767 5.237 4.470 -0.000 0.000 0.283 68 S C -0.710 173.987 174.600 0.161 0.000 1.196 68 S CA -0.230 58.050 58.200 0.133 0.000 1.062 68 S CB 0.534 63.716 63.200 -0.029 0.000 1.009 68 S HN 0.802 nan 8.310 nan 0.000 0.502 69 F N -0.195 119.789 119.950 0.057 0.000 2.645 69 F HA 0.923 5.450 4.527 -0.000 0.000 0.310 69 F C -0.812 174.886 175.800 -0.171 0.000 1.102 69 F CA -1.396 56.509 58.000 -0.157 0.000 0.952 69 F CB 0.901 39.783 39.000 -0.197 0.000 1.326 69 F HN 0.603 nan 8.300 nan 0.000 0.456 70 A N 1.362 124.108 122.820 -0.124 0.000 2.449 70 A HA 0.797 5.117 4.320 -0.000 0.000 0.302 70 A C -1.125 176.373 177.584 -0.144 0.000 1.048 70 A CA -0.597 51.383 52.037 -0.094 0.000 0.708 70 A CB 1.738 20.693 19.000 -0.075 0.000 1.274 70 A HN 1.135 nan 8.150 nan 0.000 0.410 71 T N 0.063 114.648 114.554 0.051 0.000 2.916 71 T HA 0.714 5.064 4.350 -0.000 0.000 0.305 71 T C -1.141 173.705 174.700 0.244 0.000 1.119 71 T CA -0.191 62.003 62.100 0.157 0.000 1.008 71 T CB 1.475 70.539 68.868 0.326 0.000 1.129 71 T HN 1.339 nan 8.240 nan 0.000 0.480 72 S N 2.690 118.641 115.700 0.418 0.000 2.547 72 S HA 0.891 5.361 4.470 -0.000 0.000 0.281 72 S C -1.607 173.325 174.600 0.554 0.000 1.118 72 S CA -0.693 57.685 58.200 0.298 0.000 0.947 72 S CB 0.448 63.777 63.200 0.215 0.000 1.053 72 S HN 0.675 nan 8.310 nan 0.000 0.482 73 F N 0.409 120.545 119.950 0.310 0.000 2.693 73 F HA 0.812 5.339 4.527 -0.000 0.000 0.309 73 F C -0.780 175.149 175.800 0.215 0.000 1.129 73 F CA -0.875 57.324 58.000 0.331 0.000 0.948 73 F CB 1.121 40.339 39.000 0.363 0.000 1.315 73 F HN 0.324 nan 8.300 nan 0.000 0.447 74 S N 1.732 117.675 115.700 0.405 0.000 2.482 74 S HA 0.837 5.307 4.470 -0.000 0.000 0.303 74 S C -1.271 173.544 174.600 0.358 0.000 1.091 74 S CA -0.623 57.718 58.200 0.235 0.000 1.057 74 S CB 1.445 64.728 63.200 0.138 0.000 1.031 74 S HN 0.759 nan 8.310 nan 0.000 0.485 75 F N 0.142 120.142 119.950 0.084 0.000 2.643 75 F HA 0.918 5.445 4.527 0.000 0.000 0.314 75 F C -1.608 174.258 175.800 0.110 0.000 1.096 75 F CA -1.146 56.897 58.000 0.073 0.000 0.953 75 F CB 0.861 39.879 39.000 0.029 0.000 1.345 75 F HN 0.285 nan 8.300 nan 0.000 0.468 76 V N 2.061 122.107 119.914 0.220 0.000 2.709 76 V HA 0.631 4.751 4.120 -0.000 0.000 0.308 76 V C -1.159 175.123 176.094 0.314 0.000 1.062 76 V CA -0.848 61.548 62.300 0.160 0.000 0.901 76 V CB 1.844 33.737 31.823 0.117 0.000 1.003 76 V HN 0.796 nan 8.190 nan 0.000 0.425 77 V N 4.441 124.588 119.914 0.388 0.000 2.357 77 V HA 0.423 4.543 4.120 -0.000 0.000 0.281 77 V C -0.134 176.196 176.094 0.393 0.000 1.015 77 V CA -0.671 61.870 62.300 0.403 0.000 0.827 77 V CB 1.471 33.687 31.823 0.654 0.000 1.018 77 V HN 0.829 nan 8.190 nan 0.000 0.432 78 K N 3.932 124.433 120.400 0.170 0.000 2.316 78 K HA 0.778 5.098 4.320 -0.000 0.000 0.267 78 K C -0.124 176.547 176.600 0.118 0.000 1.025 78 K CA -0.312 56.073 56.287 0.163 0.000 0.896 78 K CB 1.411 33.973 32.500 0.103 0.000 1.124 78 K HN 0.739 nan 8.250 nan 0.000 0.451 79 A N 3.556 126.519 122.820 0.238 0.000 2.303 79 A HA 0.225 4.545 4.320 -0.000 0.000 0.317 79 A C 0.203 177.898 177.584 0.185 0.000 1.149 79 A CA -0.593 51.549 52.037 0.175 0.000 0.822 79 A CB 0.669 19.819 19.000 0.251 0.000 1.131 79 A HN 0.872 nan 8.150 nan 0.000 0.493 80 D N 0.926 121.448 120.400 0.203 0.000 2.091 80 D HA -0.036 4.604 4.640 -0.000 0.000 0.199 80 D C 0.891 177.272 176.300 0.136 0.000 0.980 80 D CA 1.469 55.579 54.000 0.183 0.000 0.831 80 D CB 0.098 41.024 40.800 0.209 0.000 0.987 80 D HN 0.615 nan 8.370 nan 0.000 0.460 81 K N 0.041 120.523 120.400 0.136 0.000 2.868 81 K HA 0.213 4.533 4.320 -0.000 0.000 0.304 81 K C 1.556 178.242 176.600 0.142 0.000 1.007 81 K CA 0.041 56.397 56.287 0.114 0.000 1.123 81 K CB 0.280 32.840 32.500 0.099 0.000 1.408 81 K HN -0.067 nan 8.250 nan 0.000 0.522 82 S N -0.500 115.281 115.700 0.136 0.000 2.562 82 S HA 0.015 4.485 4.470 -0.000 0.000 0.221 82 S C -0.194 174.576 174.600 0.283 0.000 0.975 82 S CA 0.462 58.768 58.200 0.177 0.000 0.918 82 S CB -0.003 63.272 63.200 0.125 0.000 0.772 82 S HN 0.469 nan 8.310 nan 0.000 0.531 83 D N -1.291 119.228 120.400 0.199 0.000 2.661 83 D HA 0.744 5.384 4.640 -0.000 0.000 0.228 83 D C -0.333 175.990 176.300 0.038 0.000 1.183 83 D CA -0.111 53.957 54.000 0.114 0.000 0.844 83 D CB 2.008 42.858 40.800 0.084 0.000 1.555 83 D HN 0.283 nan 8.370 nan 0.000 0.453 84 G N -0.650 108.096 108.800 -0.089 0.000 2.708 84 G HA2 0.655 4.615 3.960 -0.000 0.000 0.289 84 G HA3 0.655 4.615 3.960 -0.000 0.000 0.289 84 G C -1.319 173.552 174.900 -0.049 0.000 1.416 84 G CA -0.567 44.491 45.100 -0.070 0.000 0.829 84 G HN 0.724 nan 8.290 nan 0.000 0.480 85 V N -2.650 117.263 119.914 -0.002 0.000 3.078 85 V HA 0.778 4.898 4.120 -0.000 0.000 0.311 85 V C -0.447 175.752 176.094 0.174 0.000 1.138 85 V CA -0.703 61.638 62.300 0.068 0.000 1.007 85 V CB 2.131 33.897 31.823 -0.095 0.000 1.045 85 V HN 0.604 nan 8.190 nan 0.000 0.432 86 D N 0.582 121.121 120.400 0.232 0.000 2.454 86 D HA 0.563 5.203 4.640 -0.000 0.000 0.219 86 D C 0.646 177.211 176.300 0.442 0.000 1.081 86 D CA 1.415 55.557 54.000 0.236 0.000 0.867 86 D CB 1.161 42.018 40.800 0.095 0.000 1.054 86 D HN 1.381 nan 8.370 nan 0.000 0.500 87 G N -0.154 108.849 108.800 0.339 0.000 2.369 87 G HA2 0.298 4.258 3.960 -0.000 0.000 0.295 87 G HA3 0.298 4.258 3.960 -0.000 0.000 0.295 87 G C -2.281 172.497 174.900 -0.202 0.000 1.298 87 G CA -0.893 44.385 45.100 0.297 0.000 0.940 87 G HN 0.146 nan 8.290 nan 0.000 0.536 88 L N -0.172 120.917 121.223 -0.222 0.000 2.371 88 L HA 1.026 5.366 4.340 -0.000 0.000 0.262 88 L C -0.127 176.538 176.870 -0.343 0.000 1.006 88 L CA 0.052 54.725 54.840 -0.279 0.000 0.818 88 L CB 2.002 43.969 42.059 -0.154 0.000 1.354 88 L HN 2.210 nan 8.230 nan 0.000 0.415 89 A N 2.745 125.433 122.820 -0.220 0.000 2.549 89 A HA 0.692 5.012 4.320 -0.000 0.000 0.297 89 A C -1.914 175.750 177.584 0.134 0.000 1.061 89 A CA -0.410 51.561 52.037 -0.110 0.000 0.690 89 A CB 1.041 19.833 19.000 -0.347 0.000 1.287 89 A HN 0.701 nan 8.150 nan 0.000 0.402 90 F N 2.983 122.968 119.950 0.060 0.000 2.436 90 F HA 0.803 5.330 4.527 -0.000 0.000 0.340 90 F C -0.860 174.951 175.800 0.019 0.000 1.113 90 F CA -1.221 56.694 58.000 -0.141 0.000 1.022 90 F CB 0.927 39.889 39.000 -0.064 0.000 1.128 90 F HN 0.649 nan 8.300 nan 0.000 0.466 91 F N 4.350 123.595 119.950 -1.176 0.000 2.685 91 F HA 0.828 5.354 4.527 -0.000 0.000 0.315 91 F C -2.513 172.825 175.800 -0.769 0.000 1.126 91 F CA -1.746 55.798 58.000 -0.759 0.000 0.950 91 F CB 1.131 39.874 39.000 -0.427 0.000 1.360 91 F HN 0.254 nan 8.300 nan 0.000 0.469 92 L N 2.288 123.331 121.223 -0.300 0.000 2.381 92 L HA 0.908 5.248 4.340 -0.000 0.000 0.274 92 L C -0.260 176.613 176.870 0.004 0.000 0.988 92 L CA -0.452 54.228 54.840 -0.267 0.000 0.824 92 L CB 1.435 43.379 42.059 -0.191 0.000 1.263 92 L HN 1.114 nan 8.230 nan 0.000 0.410 93 A N 3.727 126.555 122.820 0.014 0.000 2.530 93 A HA 1.001 5.321 4.320 -0.000 0.000 0.288 93 A C -2.880 174.723 177.584 0.033 0.000 1.172 93 A CA -1.812 50.271 52.037 0.077 0.000 0.733 93 A CB 1.371 20.479 19.000 0.181 0.000 1.320 93 A HN 0.429 nan 8.150 nan 0.000 0.419 94 P HA 0.274 nan 4.420 nan 0.000 0.267 94 P C -0.165 177.154 177.300 0.032 0.000 1.200 94 P CA 0.487 63.612 63.100 0.042 0.000 0.772 94 P CB 0.443 32.164 31.700 0.035 0.000 0.855 95 A N 3.548 126.398 122.820 0.050 0.000 2.573 95 A HA -0.048 4.272 4.320 -0.000 0.000 0.250 95 A C 0.756 178.335 177.584 -0.008 0.000 1.049 95 A CA 0.284 52.340 52.037 0.031 0.000 0.767 95 A CB -1.139 17.894 19.000 0.055 0.000 0.965 95 A HN 0.754 nan 8.150 nan 0.000 0.514 96 N N 0.394 119.079 118.700 -0.027 0.000 2.735 96 N HA -0.155 4.585 4.740 -0.000 0.000 0.248 96 N C 0.185 175.681 175.510 -0.023 0.000 1.083 96 N CA 1.271 54.298 53.050 -0.038 0.000 0.703 96 N CB -1.513 36.941 38.487 -0.055 0.000 1.005 96 N HN 0.901 nan 8.380 nan 0.000 0.550 97 S N -0.122 115.574 115.700 -0.006 0.000 2.568 97 S HA 0.128 4.598 4.470 -0.000 0.000 0.282 97 S C 0.376 174.968 174.600 -0.013 0.000 1.338 97 S CA -0.011 58.186 58.200 -0.005 0.000 1.045 97 S CB 0.805 64.014 63.200 0.015 0.000 0.873 97 S HN 0.145 nan 8.310 nan 0.000 0.516 98 Q N 2.321 122.103 119.800 -0.031 0.000 2.297 98 Q HA 0.462 4.802 4.340 -0.000 0.000 0.269 98 Q C -0.164 175.798 176.000 -0.064 0.000 1.051 98 Q CA -0.740 55.042 55.803 -0.036 0.000 0.869 98 Q CB 1.264 29.983 28.738 -0.031 0.000 1.346 98 Q HN 0.750 nan 8.270 nan 0.000 0.457 99 I N 2.864 123.395 120.570 -0.064 0.000 2.598 99 I HA 0.040 4.210 4.170 -0.000 0.000 0.284 99 I C -1.828 174.242 176.117 -0.079 0.000 1.140 99 I CA -1.359 59.886 61.300 -0.092 0.000 1.420 99 I CB 0.073 38.030 38.000 -0.070 0.000 1.387 99 I HN 0.186 nan 8.210 nan 0.000 0.553 100 P HA 0.068 nan 4.420 nan 0.000 0.269 100 P C -0.701 176.570 177.300 -0.048 0.000 1.209 100 P CA -0.182 62.877 63.100 -0.069 0.000 0.776 100 P CB 0.469 32.123 31.700 -0.078 0.000 0.876 101 S N 1.414 117.094 115.700 -0.033 0.000 2.549 101 S HA 0.373 4.843 4.470 -0.000 0.000 0.283 101 S C 1.341 175.928 174.600 -0.021 0.000 1.320 101 S CA 0.626 58.811 58.200 -0.025 0.000 1.058 101 S CB -0.104 63.085 63.200 -0.018 0.000 0.882 101 S HN 0.928 nan 8.310 nan 0.000 0.498 102 G N 2.027 110.814 108.800 -0.021 0.000 2.176 102 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.252 102 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.252 102 G C 0.164 175.053 174.900 -0.019 0.000 1.024 102 G CA 0.334 45.425 45.100 -0.016 0.000 0.755 102 G HN 0.795 nan 8.290 nan 0.000 0.507 103 S N -0.522 115.158 115.700 -0.032 0.000 2.617 103 S HA 0.788 5.258 4.470 -0.000 0.000 0.269 103 S C 0.765 175.338 174.600 -0.045 0.000 1.292 103 S CA 0.699 58.875 58.200 -0.040 0.000 1.010 103 S CB 0.996 64.156 63.200 -0.068 0.000 0.944 103 S HN 1.678 nan 8.310 nan 0.000 0.536 104 S N 1.668 117.336 115.700 -0.052 0.000 2.671 104 S HA 0.749 5.219 4.470 -0.000 0.000 0.299 104 S C 0.918 175.455 174.600 -0.106 0.000 1.116 104 S CA -0.336 57.822 58.200 -0.068 0.000 0.912 104 S CB 1.052 64.222 63.200 -0.049 0.000 1.130 104 S HN 0.925 nan 8.310 nan 0.000 0.501 105 A N 0.891 123.640 122.820 -0.119 0.000 1.933 105 A HA 0.166 4.486 4.320 -0.000 0.000 0.218 105 A C 2.026 179.445 177.584 -0.274 0.000 1.175 105 A CA 1.734 53.688 52.037 -0.140 0.000 0.628 105 A CB -1.677 17.256 19.000 -0.111 0.000 0.814 105 A HN 1.294 nan 8.150 nan 0.000 0.444 106 G N -1.358 107.311 108.800 -0.219 0.000 2.559 106 G HA2 0.013 3.973 3.960 -0.000 0.000 0.216 106 G HA3 0.013 3.973 3.960 -0.000 0.000 0.216 106 G C 1.206 175.835 174.900 -0.452 0.000 1.126 106 G CA 0.802 45.769 45.100 -0.222 0.000 0.778 106 G HN 0.507 nan 8.290 nan 0.000 0.543 107 M N -0.456 118.907 119.600 -0.394 0.000 2.405 107 M HA 0.312 4.792 4.480 -0.000 0.000 0.292 107 M C 0.018 176.200 176.300 -0.197 0.000 1.111 107 M CA -0.431 54.717 55.300 -0.252 0.000 0.979 107 M CB 0.556 33.137 32.600 -0.033 0.000 1.426 107 M HN 0.100 nan 8.290 nan 0.000 0.509 108 F N 1.073 121.021 119.950 -0.003 0.000 3.100 108 F HA -0.259 4.268 4.527 -0.000 0.000 0.284 108 F C 1.287 176.968 175.800 -0.198 0.000 0.875 108 F CA 0.991 58.932 58.000 -0.099 0.000 1.039 108 F CB -2.791 36.148 39.000 -0.100 0.000 1.111 108 F HN 0.552 nan 8.300 nan 0.000 0.575 109 G N -0.683 108.063 108.800 -0.089 0.000 2.168 109 G HA2 -0.330 3.630 3.960 -0.000 0.000 0.257 109 G HA3 -0.330 3.630 3.960 -0.000 0.000 0.257 109 G C 0.811 175.529 174.900 -0.305 0.000 0.997 109 G CA 0.501 45.507 45.100 -0.156 0.000 0.708 109 G HN 0.596 nan 8.290 nan 0.000 0.520 110 L N -2.306 118.677 121.223 -0.400 0.000 2.470 110 L HA 0.464 4.804 4.340 -0.000 0.000 0.219 110 L C 0.676 176.987 176.870 -0.933 0.000 1.071 110 L CA 0.233 54.591 54.840 -0.803 0.000 0.850 110 L CB 0.167 41.573 42.059 -1.089 0.000 1.040 110 L HN 0.158 nan 8.230 nan 0.000 0.475 111 F N -2.087 117.767 119.950 -0.161 0.000 2.577 111 F HA 0.337 4.864 4.527 -0.000 0.000 0.318 111 F C 1.176 176.901 175.800 -0.126 0.000 1.065 111 F CA -0.515 57.397 58.000 -0.147 0.000 0.929 111 F CB 1.711 40.603 39.000 -0.180 0.000 1.237 111 F HN -0.427 nan 8.300 nan 0.000 0.468 112 S N -0.238 115.521 115.700 0.097 0.000 2.458 112 S HA 0.085 4.555 4.470 -0.000 0.000 0.223 112 S C 0.439 175.051 174.600 0.020 0.000 1.019 112 S CA 0.886 59.105 58.200 0.030 0.000 0.937 112 S CB -0.067 63.144 63.200 0.018 0.000 0.788 112 S HN 0.735 nan 8.310 nan 0.000 0.511 113 S N -0.584 115.123 115.700 0.011 0.000 2.790 113 S HA 0.378 4.848 4.470 -0.000 0.000 0.292 113 S C 0.280 174.760 174.600 -0.199 0.000 1.197 113 S CA 0.063 58.229 58.200 -0.056 0.000 0.851 113 S CB 1.031 64.209 63.200 -0.037 0.000 1.217 113 S HN 0.166 nan 8.310 nan 0.000 0.526 114 S N -0.391 115.174 115.700 -0.224 0.000 2.577 114 S HA 0.270 4.740 4.470 -0.000 0.000 0.219 114 S C -0.171 174.253 174.600 -0.294 0.000 0.962 114 S CA -0.404 57.558 58.200 -0.397 0.000 0.921 114 S CB -0.619 62.414 63.200 -0.279 0.000 0.789 114 S HN 0.619 nan 8.310 nan 0.000 0.497 115 D N 2.286 122.567 120.400 -0.198 0.000 2.358 115 D HA 0.158 4.798 4.640 -0.000 0.000 0.244 115 D C -0.410 175.778 176.300 -0.187 0.000 1.163 115 D CA 0.123 54.038 54.000 -0.143 0.000 0.945 115 D CB 1.239 41.992 40.800 -0.077 0.000 1.152 115 D HN 0.219 nan 8.370 nan 0.000 0.451 116 S N 0.542 116.164 115.700 -0.130 0.000 2.790 116 S HA 0.139 4.609 4.470 -0.000 0.000 0.202 116 S C -0.396 174.170 174.600 -0.058 0.000 1.383 116 S CA -0.751 57.377 58.200 -0.120 0.000 1.026 116 S CB -0.389 62.752 63.200 -0.099 0.000 1.253 116 S HN 0.147 nan 8.310 nan 0.000 0.489 117 K N 1.830 122.208 120.400 -0.037 0.000 2.258 117 K HA 0.197 4.517 4.320 -0.000 0.000 0.284 117 K C 1.334 177.947 176.600 0.021 0.000 1.051 117 K CA -0.263 56.023 56.287 -0.001 0.000 0.923 117 K CB 1.064 33.572 32.500 0.012 0.000 1.046 117 K HN 0.594 nan 8.250 nan 0.000 0.474 118 S N 0.460 116.172 115.700 0.019 0.000 2.507 118 S HA -0.142 4.328 4.470 -0.000 0.000 0.235 118 S C 1.646 176.271 174.600 0.042 0.000 0.988 118 S CA 1.160 59.378 58.200 0.030 0.000 0.944 118 S CB -0.232 62.981 63.200 0.022 0.000 0.762 118 S HN 0.611 nan 8.310 nan 0.000 0.526 119 S N 1.695 117.418 115.700 0.039 0.000 2.522 119 S HA 0.045 4.515 4.470 -0.000 0.000 0.227 119 S C 1.380 176.009 174.600 0.049 0.000 0.986 119 S CA 0.480 58.705 58.200 0.041 0.000 0.929 119 S CB -0.825 62.393 63.200 0.031 0.000 0.769 119 S HN 0.705 nan 8.310 nan 0.000 0.529 120 N N 1.658 120.399 118.700 0.068 0.000 2.120 120 N HA -0.082 4.658 4.740 -0.000 0.000 0.188 120 N C -0.190 175.357 175.510 0.061 0.000 1.024 120 N CA 0.831 53.932 53.050 0.087 0.000 0.852 120 N CB -0.321 38.288 38.487 0.204 0.000 1.003 120 N HN 0.424 nan 8.380 nan 0.000 0.424 121 Q N 0.034 119.879 119.800 0.075 0.000 2.452 121 Q HA -0.169 4.170 4.340 -0.000 0.000 0.318 121 Q C -1.234 174.801 176.000 0.060 0.000 1.386 121 Q CA 0.424 56.269 55.803 0.070 0.000 0.872 121 Q CB -1.479 27.300 28.738 0.068 0.000 1.151 121 Q HN 0.510 nan 8.270 nan 0.000 0.417 122 I N 0.845 121.463 120.570 0.080 0.000 2.498 122 I HA 0.525 4.695 4.170 -0.000 0.000 0.290 122 I C -0.063 176.121 176.117 0.111 0.000 1.032 122 I CA -0.936 60.398 61.300 0.057 0.000 1.073 122 I CB 1.808 39.759 38.000 -0.082 0.000 1.251 122 I HN 0.103 nan 8.210 nan 0.000 0.426 123 I N 5.240 125.864 120.570 0.089 0.000 2.466 123 I HA 0.706 4.876 4.170 -0.000 0.000 0.289 123 I C -0.359 175.825 176.117 0.113 0.000 1.026 123 I CA -0.354 61.010 61.300 0.106 0.000 1.078 123 I CB 1.999 40.049 38.000 0.084 0.000 1.249 123 I HN 0.632 nan 8.210 nan 0.000 0.429 124 A N 5.523 128.425 122.820 0.137 0.000 2.572 124 A HA 0.828 5.148 4.320 -0.000 0.000 0.295 124 A C -1.467 176.189 177.584 0.120 0.000 1.072 124 A CA -0.522 51.592 52.037 0.129 0.000 0.691 124 A CB 2.041 21.099 19.000 0.097 0.000 1.291 124 A HN 0.345 nan 8.150 nan 0.000 0.404 125 V N 2.490 122.480 119.914 0.126 0.000 2.334 125 V HA 0.396 4.516 4.120 -0.000 0.000 0.281 125 V C -0.108 175.831 176.094 -0.258 0.000 1.016 125 V CA -0.348 61.944 62.300 -0.014 0.000 0.832 125 V CB 1.024 32.919 31.823 0.121 0.000 0.999 125 V HN 0.991 nan 8.190 nan 0.000 0.439 126 E N 4.154 124.116 120.200 -0.397 0.000 2.214 126 E HA 0.632 4.982 4.350 -0.000 0.000 0.274 126 E C -1.492 174.591 176.600 -0.861 0.000 0.977 126 E CA -0.705 55.368 56.400 -0.544 0.000 0.827 126 E CB 1.614 31.133 29.700 -0.301 0.000 1.130 126 E HN 0.432 nan 8.360 nan 0.000 0.394 127 F N 1.566 121.279 119.950 -0.395 0.000 2.453 127 F HA 0.204 4.731 4.527 -0.000 0.000 0.358 127 F C -0.217 175.525 175.800 -0.095 0.000 1.129 127 F CA -0.963 56.737 58.000 -0.499 0.000 1.200 127 F CB 0.963 39.502 39.000 -0.769 0.000 1.431 127 F HN 0.440 nan 8.300 nan 0.000 0.503 128 D N 1.586 122.019 120.400 0.056 0.000 2.336 128 D HA 0.079 4.719 4.640 -0.000 0.000 0.249 128 D C 1.254 177.770 176.300 0.359 0.000 1.213 128 D CA 0.214 54.332 54.000 0.196 0.000 0.870 128 D CB 1.318 42.021 40.800 -0.162 0.000 1.076 128 D HN 0.551 nan 8.370 nan 0.000 0.483 129 T N 1.105 115.910 114.554 0.418 0.000 3.057 129 T HA -0.000 4.350 4.350 -0.000 0.000 0.254 129 T C 0.647 175.529 174.700 0.304 0.000 1.094 129 T CA 0.107 62.353 62.100 0.243 0.000 1.088 129 T CB -0.077 68.787 68.868 -0.006 0.000 0.934 129 T HN 0.338 nan 8.240 nan 0.000 0.497 130 Y N 2.142 122.577 120.300 0.225 0.000 2.328 130 Y HA 0.489 5.039 4.550 -0.000 0.000 0.337 130 Y C -0.534 175.493 175.900 0.211 0.000 0.966 130 Y CA -2.741 55.420 58.100 0.103 0.000 1.136 130 Y CB 1.153 39.634 38.460 0.035 0.000 1.170 130 Y HN 0.203 nan 8.280 nan 0.000 0.470 131 F N 2.398 122.020 119.950 -0.546 0.000 2.775 131 F HA 0.566 5.093 4.527 -0.000 0.000 0.313 131 F C 0.620 176.002 175.800 -0.696 0.000 1.121 131 F CA -1.011 56.712 58.000 -0.462 0.000 1.206 131 F CB -0.326 38.574 39.000 -0.165 0.000 1.052 131 F HN 0.606 nan 8.300 nan 0.000 0.524 132 G N 1.650 109.511 108.800 -1.565 0.000 2.272 132 G HA2 0.031 3.991 3.960 -0.000 0.000 0.247 132 G HA3 0.031 3.991 3.960 -0.000 0.000 0.247 132 G C 0.663 175.274 174.900 -0.482 0.000 1.272 132 G CA -0.260 44.300 45.100 -0.900 0.000 0.921 132 G HN 0.303 nan 8.290 nan 0.000 0.495 133 K N 2.138 122.354 120.400 -0.306 0.000 2.360 133 K HA -0.022 4.298 4.320 -0.000 0.000 0.201 133 K C 2.622 179.071 176.600 -0.252 0.000 1.046 133 K CA 1.370 57.504 56.287 -0.254 0.000 0.945 133 K CB -0.012 32.386 32.500 -0.171 0.000 0.750 133 K HN 0.556 nan 8.250 nan 0.000 0.464 134 A N -0.521 122.149 122.820 -0.251 0.000 1.858 134 A HA -0.162 4.158 4.320 -0.000 0.000 0.216 134 A C 1.551 178.867 177.584 -0.447 0.000 1.190 134 A CA 1.535 53.350 52.037 -0.369 0.000 0.617 134 A CB -0.544 18.180 19.000 -0.460 0.000 0.827 134 A HN 0.351 nan 8.150 nan 0.000 0.443 135 Y N -1.353 118.926 120.300 -0.036 0.000 2.507 135 Y HA 0.232 4.782 4.550 -0.000 0.000 0.263 135 Y C 0.611 176.320 175.900 -0.318 0.000 1.093 135 Y CA 0.122 58.194 58.100 -0.048 0.000 1.285 135 Y CB 0.170 38.677 38.460 0.078 0.000 1.115 135 Y HN 0.310 nan 8.280 nan 0.000 0.533 136 N N 1.885 120.341 118.700 -0.406 0.000 2.813 136 N HA 0.131 4.871 4.740 -0.000 0.000 0.282 136 N C -2.283 172.553 175.510 -1.124 0.000 1.748 136 N CA -1.100 51.209 53.050 -1.235 0.000 0.860 136 N CB 0.972 39.028 38.487 -0.719 0.000 1.204 136 N HN 0.026 nan 8.380 nan 0.000 0.490 137 P HA -0.140 nan 4.420 nan 0.000 0.222 137 P C 0.836 177.969 177.300 -0.277 0.000 1.147 137 P CA 0.973 63.832 63.100 -0.401 0.000 0.790 137 P CB -0.061 31.524 31.700 -0.191 0.000 0.780 138 W N -0.057 121.230 121.300 -0.022 0.000 2.678 138 W HA 0.181 4.841 4.660 -0.000 0.000 0.256 138 W C 0.019 176.502 176.519 -0.059 0.000 1.280 138 W CA -0.293 57.029 57.345 -0.038 0.000 1.345 138 W CB -1.514 27.925 29.460 -0.034 0.000 1.118 138 W HN -0.235 nan 8.180 nan 0.000 0.629 139 D N 2.706 122.969 120.400 -0.228 0.000 2.313 139 D HA 0.160 4.799 4.640 -0.000 0.000 0.247 139 D C -1.691 174.439 176.300 -0.284 0.000 1.094 139 D CA -1.769 52.145 54.000 -0.144 0.000 0.925 139 D CB 0.738 41.494 40.800 -0.074 0.000 1.188 139 D HN -0.101 nan 8.370 nan 0.000 0.430 140 P HA 0.157 nan 4.420 nan 0.000 0.277 140 P C -0.394 176.417 177.300 -0.815 0.000 1.271 140 P CA -0.414 62.245 63.100 -0.734 0.000 0.795 140 P CB 0.850 31.875 31.700 -1.125 0.000 1.101 141 D N 0.207 120.107 120.400 -0.832 0.000 2.870 141 D HA 0.239 4.879 4.640 -0.000 0.000 0.241 141 D C -0.159 175.565 176.300 -0.961 0.000 1.234 141 D CA 0.603 54.250 54.000 -0.589 0.000 0.844 141 D CB -0.853 39.854 40.800 -0.156 0.000 1.051 141 D HN 0.271 nan 8.370 nan 0.000 0.469 142 F N -2.430 116.761 119.950 -1.265 0.000 2.799 142 F HA 0.347 4.874 4.527 -0.000 0.000 0.316 142 F C -0.529 174.938 175.800 -0.555 0.000 1.155 142 F CA -1.590 55.732 58.000 -1.129 0.000 0.916 142 F CB 0.620 39.401 39.000 -0.366 0.000 1.294 142 F HN -0.456 nan 8.300 nan 0.000 0.447 143 K N 2.138 122.639 120.400 0.168 0.000 2.401 143 K HA 0.319 4.639 4.320 -0.000 0.000 0.278 143 K C -0.558 176.482 176.600 0.733 0.000 1.018 143 K CA -0.081 56.487 56.287 0.468 0.000 0.981 143 K CB 0.141 32.814 32.500 0.289 0.000 0.933 143 K HN 0.856 nan 8.250 nan 0.000 0.477 144 H N 0.306 119.762 119.070 0.644 0.000 2.966 144 H HA 0.442 4.998 4.556 -0.000 0.000 0.330 144 H C -0.939 174.637 175.328 0.413 0.000 1.292 144 H CA -1.041 55.363 56.048 0.594 0.000 1.127 144 H CB 0.830 30.867 29.762 0.460 0.000 1.863 144 H HN 0.338 nan 8.280 nan 0.000 0.543 145 I N 0.899 121.647 120.570 0.297 0.000 2.378 145 I HA 0.530 4.700 4.170 -0.000 0.000 0.291 145 I C 0.331 176.487 176.117 0.065 0.000 0.992 145 I CA -0.478 60.775 61.300 -0.078 0.000 1.154 145 I CB 1.866 39.794 38.000 -0.119 0.000 1.315 145 I HN 0.762 nan 8.210 nan 0.000 0.448 146 G N 6.675 115.458 108.800 -0.027 0.000 2.563 146 G HA2 0.658 4.618 3.960 -0.000 0.000 0.302 146 G HA3 0.658 4.618 3.960 -0.000 0.000 0.302 146 G C -0.971 173.938 174.900 0.016 0.000 1.301 146 G CA -0.442 44.715 45.100 0.095 0.000 0.965 146 G HN 0.318 nan 8.290 nan 0.000 0.480 147 I N 2.153 122.759 120.570 0.060 0.000 2.307 147 I HA 0.272 4.442 4.170 -0.000 0.000 0.289 147 I C -0.919 175.246 176.117 0.080 0.000 1.021 147 I CA -0.874 60.466 61.300 0.066 0.000 1.224 147 I CB 1.079 39.123 38.000 0.074 0.000 1.376 147 I HN 0.272 nan 8.210 nan 0.000 0.470 148 D N 6.229 126.687 120.400 0.098 0.000 2.233 148 D HA 0.404 5.044 4.640 -0.000 0.000 0.240 148 D C -0.241 176.132 176.300 0.121 0.000 1.074 148 D CA -0.172 53.893 54.000 0.109 0.000 0.838 148 D CB 2.721 43.631 40.800 0.183 0.000 1.124 148 D HN 0.090 nan 8.370 nan 0.000 0.475 149 V N 3.172 123.133 119.914 0.078 0.000 2.357 149 V HA 0.226 4.345 4.120 -0.000 0.000 0.281 149 V C 0.470 176.599 176.094 0.059 0.000 1.015 149 V CA -0.808 61.540 62.300 0.079 0.000 0.827 149 V CB 0.363 32.218 31.823 0.052 0.000 1.018 149 V HN 0.707 nan 8.190 nan 0.000 0.432 150 N N 1.656 120.440 118.700 0.140 0.000 2.778 150 N HA -0.194 4.546 4.740 -0.000 0.000 0.249 150 N C 0.135 175.598 175.510 -0.080 0.000 1.069 150 N CA 1.195 54.329 53.050 0.140 0.000 0.831 150 N CB -0.346 38.178 38.487 0.063 0.000 1.142 150 N HN 0.700 nan 8.380 nan 0.000 0.573 151 S N -1.265 114.228 115.700 -0.344 0.000 2.547 151 S HA 0.463 4.933 4.470 -0.000 0.000 0.270 151 S C 0.100 174.122 174.600 -0.964 0.000 1.150 151 S CA -0.774 56.937 58.200 -0.815 0.000 0.850 151 S CB 1.416 64.370 63.200 -0.411 0.000 1.118 151 S HN 0.153 nan 8.310 nan 0.000 0.461 152 I N 2.863 122.702 120.570 -1.219 0.000 2.928 152 I HA 0.279 4.449 4.170 -0.000 0.000 0.266 152 I C 0.951 176.742 176.117 -0.543 0.000 1.234 152 I CA 0.989 61.805 61.300 -0.807 0.000 1.483 152 I CB -0.266 37.116 38.000 -1.030 0.000 1.097 152 I HN 0.587 nan 8.210 nan 0.000 0.455 153 K N 1.352 121.466 120.400 -0.476 0.000 2.219 153 K HA 0.207 4.527 4.320 -0.000 0.000 0.280 153 K C -0.093 176.470 176.600 -0.062 0.000 1.104 153 K CA -0.165 56.027 56.287 -0.158 0.000 0.925 153 K CB 0.236 32.675 32.500 -0.103 0.000 1.261 153 K HN 0.128 nan 8.250 nan 0.000 0.445 154 S N 4.035 119.757 115.700 0.036 0.000 2.573 154 S HA -0.063 4.407 4.470 -0.000 0.000 0.297 154 S C 1.581 176.204 174.600 0.040 0.000 1.280 154 S CA -0.237 57.999 58.200 0.060 0.000 1.061 154 S CB 0.224 63.500 63.200 0.126 0.000 0.812 154 S HN 0.724 nan 8.310 nan 0.000 0.500 155 I N -0.842 119.750 120.570 0.037 0.000 2.928 155 I HA 0.256 4.425 4.170 -0.000 0.000 0.266 155 I C 0.649 176.792 176.117 0.044 0.000 1.234 155 I CA 0.836 62.155 61.300 0.032 0.000 1.483 155 I CB -0.019 38.001 38.000 0.032 0.000 1.097 155 I HN 0.383 nan 8.210 nan 0.000 0.455 156 K N 1.229 121.665 120.400 0.060 0.000 2.569 156 K HA 0.396 4.715 4.320 -0.000 0.000 0.259 156 K C -0.931 175.728 176.600 0.097 0.000 0.932 156 K CA -0.304 56.025 56.287 0.070 0.000 0.833 156 K CB 1.846 34.385 32.500 0.064 0.000 1.340 156 K HN 0.277 nan 8.250 nan 0.000 0.429 157 T N -1.146 113.479 114.554 0.118 0.000 2.887 157 T HA 0.751 5.101 4.350 -0.000 0.000 0.292 157 T C -1.281 173.546 174.700 0.212 0.000 1.087 157 T CA -0.799 61.412 62.100 0.184 0.000 1.009 157 T CB 1.828 70.803 68.868 0.179 0.000 1.203 157 T HN 0.308 nan 8.240 nan 0.000 0.518 158 V N 0.586 120.671 119.914 0.284 0.000 2.969 158 V HA 0.662 4.782 4.120 -0.000 0.000 0.304 158 V C -1.074 175.206 176.094 0.309 0.000 1.192 158 V CA -1.106 61.333 62.300 0.232 0.000 0.962 158 V CB 2.281 34.194 31.823 0.150 0.000 1.045 158 V HN 1.249 nan 8.190 nan 0.000 0.428 159 K N 4.675 125.104 120.400 0.050 0.000 2.484 159 K HA 0.075 4.395 4.320 -0.000 0.000 0.280 159 K C -1.109 175.651 176.600 0.268 0.000 1.013 159 K CA 0.265 56.493 56.287 -0.099 0.000 1.029 159 K CB 0.296 32.474 32.500 -0.536 0.000 0.902 159 K HN 0.640 nan 8.250 nan 0.000 0.481 160 W N 6.275 127.705 121.300 0.216 0.000 2.294 160 W HA 0.303 4.963 4.660 -0.000 0.000 0.314 160 W C -1.021 175.682 176.519 0.306 0.000 1.044 160 W CA -1.223 56.298 57.345 0.294 0.000 1.284 160 W CB 0.729 30.416 29.460 0.380 0.000 1.231 160 W HN 0.635 nan 8.180 nan 0.000 0.419 161 D N 6.115 126.715 120.400 0.333 0.000 2.688 161 D HA -0.068 4.572 4.640 -0.000 0.000 0.228 161 D C 0.004 176.267 176.300 -0.062 0.000 1.116 161 D CA -0.008 54.052 54.000 0.100 0.000 1.023 161 D CB -0.427 40.445 40.800 0.120 0.000 1.100 161 D HN 0.478 nan 8.370 nan 0.000 0.487 162 W N 2.789 123.686 121.300 -0.672 0.000 2.257 162 W HA -0.015 4.645 4.660 0.000 0.000 0.337 162 W C -0.118 176.113 176.519 -0.480 0.000 1.321 162 W CA -0.266 56.595 57.345 -0.807 0.000 1.267 162 W CB 0.574 29.301 29.460 -1.222 0.000 1.187 162 W HN -0.031 nan 8.180 nan 0.000 0.565 163 R N 5.870 125.621 120.500 -1.248 0.000 2.360 163 R HA 0.122 4.462 4.340 -0.000 0.000 0.318 163 R C -0.596 174.845 176.300 -1.432 0.000 0.950 163 R CA -1.089 54.228 56.100 -1.304 0.000 0.837 163 R CB 0.944 30.471 30.300 -1.288 0.000 1.165 163 R HN 0.705 nan 8.270 nan 0.000 0.458 164 N N 0.654 118.431 118.700 -1.539 0.000 2.411 164 N HA -0.020 4.720 4.740 -0.000 0.000 0.265 164 N C 0.946 176.227 175.510 -0.381 0.000 1.266 164 N CA 1.084 53.550 53.050 -0.974 0.000 0.889 164 N CB 0.362 38.456 38.487 -0.656 0.000 1.069 164 N HN 0.795 nan 8.380 nan 0.000 0.476 165 G N 1.879 110.603 108.800 -0.126 0.000 2.189 165 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.267 165 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.267 165 G C -0.186 174.685 174.900 -0.048 0.000 0.975 165 G CA 0.168 45.246 45.100 -0.036 0.000 0.644 165 G HN 0.600 nan 8.290 nan 0.000 0.537 166 E N -0.103 120.035 120.200 -0.104 0.000 2.277 166 E HA 0.505 4.855 4.350 -0.000 0.000 0.274 166 E C 0.515 177.175 176.600 0.101 0.000 1.022 166 E CA -0.707 55.674 56.400 -0.032 0.000 0.853 166 E CB 1.918 31.530 29.700 -0.147 0.000 1.086 166 E HN 0.122 nan 8.360 nan 0.000 0.397 167 V N 1.706 121.667 119.914 0.080 0.000 2.508 167 V HA 0.307 4.427 4.120 -0.000 0.000 0.281 167 V C 0.293 176.338 176.094 -0.081 0.000 1.041 167 V CA -0.306 61.994 62.300 0.000 0.000 1.016 167 V CB 0.827 32.653 31.823 0.004 0.000 0.984 167 V HN 0.695 nan 8.190 nan 0.000 0.478 168 A N 4.325 126.899 122.820 -0.410 0.000 2.304 168 A HA 0.669 4.989 4.320 -0.000 0.000 0.323 168 A C -0.603 176.706 177.584 -0.458 0.000 1.195 168 A CA -0.719 50.871 52.037 -0.745 0.000 0.826 168 A CB 0.610 18.870 19.000 -1.233 0.000 1.184 168 A HN 0.757 nan 8.150 nan 0.000 0.496 169 D N 1.562 121.761 120.400 -0.336 0.000 2.233 169 D HA 0.495 5.135 4.640 -0.000 0.000 0.240 169 D C -0.600 175.546 176.300 -0.257 0.000 1.074 169 D CA 0.128 54.000 54.000 -0.213 0.000 0.838 169 D CB 1.807 42.528 40.800 -0.132 0.000 1.124 169 D HN 0.167 nan 8.370 nan 0.000 0.475 170 V N 2.155 121.853 119.914 -0.361 0.000 2.604 170 V HA 0.480 4.600 4.120 -0.000 0.000 0.305 170 V C -0.071 175.791 176.094 -0.385 0.000 1.043 170 V CA -0.836 61.194 62.300 -0.449 0.000 0.888 170 V CB 2.325 33.641 31.823 -0.845 0.000 0.995 170 V HN 0.248 nan 8.190 nan 0.000 0.429 171 V N 5.817 125.613 119.914 -0.197 0.000 2.483 171 V HA 0.544 4.664 4.120 -0.000 0.000 0.297 171 V C -0.503 175.561 176.094 -0.050 0.000 1.027 171 V CA -0.306 61.935 62.300 -0.097 0.000 0.855 171 V CB 1.784 33.572 31.823 -0.058 0.000 0.995 171 V HN 0.703 nan 8.190 nan 0.000 0.424 172 I N 4.665 125.229 120.570 -0.011 0.000 2.406 172 I HA 0.590 4.760 4.170 -0.000 0.000 0.290 172 I C 0.092 176.210 176.117 0.001 0.000 0.999 172 I CA -0.274 61.048 61.300 0.035 0.000 1.124 172 I CB 2.373 40.434 38.000 0.103 0.000 1.289 172 I HN 0.716 nan 8.210 nan 0.000 0.441 173 T N 2.239 116.758 114.554 -0.059 0.000 2.863 173 T HA 0.517 4.867 4.350 -0.000 0.000 0.285 173 T C -1.131 173.418 174.700 -0.252 0.000 1.009 173 T CA -0.771 61.228 62.100 -0.168 0.000 0.989 173 T CB 1.898 70.687 68.868 -0.132 0.000 1.004 173 T HN 0.395 nan 8.240 nan 0.000 0.455 174 Y N 1.921 121.837 120.300 -0.639 0.000 2.332 174 Y HA 0.551 5.101 4.550 -0.000 0.000 0.326 174 Y C -0.391 175.281 175.900 -0.380 0.000 0.978 174 Y CA -1.181 56.550 58.100 -0.617 0.000 1.205 174 Y CB 1.381 39.160 38.460 -1.134 0.000 1.131 174 Y HN 0.719 nan 8.280 nan 0.000 0.462 175 R N 4.950 124.982 120.500 -0.780 0.000 2.233 175 R HA 0.490 4.830 4.340 -0.000 0.000 0.334 175 R C 0.936 176.790 176.300 -0.744 0.000 1.037 175 R CA 0.239 56.003 56.100 -0.560 0.000 0.920 175 R CB 1.168 31.265 30.300 -0.339 0.000 1.137 175 R HN 0.912 nan 8.270 nan 0.000 0.492 176 A N 6.192 128.682 122.820 -0.549 0.000 1.892 176 A HA -0.116 4.204 4.320 -0.000 0.000 0.218 176 A C -0.355 177.112 177.584 -0.195 0.000 1.188 176 A CA 1.162 53.013 52.037 -0.310 0.000 0.631 176 A CB -1.052 17.952 19.000 0.007 0.000 0.822 176 A HN 0.539 nan 8.150 nan 0.000 0.447 177 P HA -0.145 nan 4.420 nan 0.000 0.218 177 P C 1.151 178.383 177.300 -0.112 0.000 1.148 177 P CA 2.115 65.153 63.100 -0.103 0.000 0.822 177 P CB -0.461 31.187 31.700 -0.086 0.000 0.784 178 T N -5.008 109.449 114.554 -0.162 0.000 3.054 178 T HA 0.240 4.590 4.350 -0.000 0.000 0.255 178 T C 0.760 175.370 174.700 -0.150 0.000 1.035 178 T CA -0.409 61.609 62.100 -0.136 0.000 0.941 178 T CB -0.520 68.271 68.868 -0.129 0.000 1.026 178 T HN 0.041 nan 8.240 nan 0.000 0.533 179 K N 0.672 120.938 120.400 -0.224 0.000 3.069 179 K HA -0.150 4.170 4.320 -0.000 0.000 0.267 179 K C -0.067 176.457 176.600 -0.127 0.000 1.082 179 K CA 0.576 56.772 56.287 -0.152 0.000 0.782 179 K CB -2.025 30.481 32.500 0.011 0.000 1.230 179 K HN 0.466 nan 8.250 nan 0.000 0.488 180 S N 0.824 116.350 115.700 -0.290 0.000 2.457 180 S HA 0.502 4.972 4.470 -0.000 0.000 0.289 180 S C -0.715 173.810 174.600 -0.125 0.000 1.163 180 S CA -0.941 57.168 58.200 -0.152 0.000 1.078 180 S CB 0.847 63.962 63.200 -0.142 0.000 0.987 180 S HN 0.295 nan 8.310 nan 0.000 0.482 181 L N 5.806 127.068 121.223 0.066 0.000 2.298 181 L HA 0.607 4.947 4.340 -0.000 0.000 0.284 181 L C -0.483 176.422 176.870 0.058 0.000 1.013 181 L CA 0.278 55.200 54.840 0.136 0.000 0.824 181 L CB 1.479 43.679 42.059 0.235 0.000 1.221 181 L HN 0.622 nan 8.230 nan 0.000 0.418 182 T N 4.402 118.968 114.554 0.019 0.000 2.807 182 T HA 0.641 4.991 4.350 -0.000 0.000 0.279 182 T C -0.778 173.941 174.700 0.032 0.000 0.993 182 T CA -0.431 61.678 62.100 0.015 0.000 0.970 182 T CB 1.667 70.525 68.868 -0.017 0.000 0.950 182 T HN 0.300 nan 8.240 nan 0.000 0.441 183 V N 2.234 122.174 119.914 0.044 0.000 2.409 183 V HA 0.429 4.549 4.120 -0.000 0.000 0.291 183 V C -0.239 175.883 176.094 0.046 0.000 1.020 183 V CA -0.820 61.515 62.300 0.059 0.000 0.848 183 V CB 1.452 33.316 31.823 0.069 0.000 0.990 183 V HN 1.046 nan 8.190 nan 0.000 0.430 184 C N 7.079 126.395 119.300 0.026 0.000 2.291 184 C HA 0.716 5.176 4.460 -0.000 0.000 0.322 184 C C -0.332 174.653 174.990 -0.008 0.000 1.205 184 C CA -0.545 58.479 59.018 0.009 0.000 1.495 184 C CB -0.190 27.540 27.740 -0.016 0.000 2.127 184 C HN 0.913 nan 8.230 nan 0.000 0.452 185 L N 6.207 127.442 121.223 0.020 0.000 2.346 185 L HA 0.886 5.226 4.340 -0.000 0.000 0.276 185 L C -0.275 176.570 176.870 -0.041 0.000 1.006 185 L CA 0.341 55.167 54.840 -0.023 0.000 0.817 185 L CB 1.837 43.929 42.059 0.055 0.000 1.272 185 L HN 0.770 nan 8.230 nan 0.000 0.421 186 S N 2.146 117.756 115.700 -0.150 0.000 2.537 186 S HA 0.527 4.997 4.470 -0.000 0.000 0.270 186 S C -1.503 172.954 174.600 -0.239 0.000 1.142 186 S CA -0.689 57.448 58.200 -0.105 0.000 0.870 186 S CB 1.228 64.406 63.200 -0.036 0.000 1.112 186 S HN 0.456 nan 8.310 nan 0.000 0.466 187 Y N 2.665 122.969 120.300 0.006 0.000 2.417 187 Y HA 0.414 4.964 4.550 -0.000 0.000 0.336 187 Y C -1.545 174.339 175.900 -0.028 0.000 0.961 187 Y CA -1.954 56.130 58.100 -0.026 0.000 1.215 187 Y CB 1.591 40.033 38.460 -0.030 0.000 1.120 187 Y HN 0.535 nan 8.280 nan 0.000 0.499 188 P HA -0.210 nan 4.420 nan 0.000 0.218 188 P C 1.443 178.771 177.300 0.047 0.000 1.148 188 P CA 1.823 64.950 63.100 0.045 0.000 0.822 188 P CB 0.265 31.975 31.700 0.017 0.000 0.784 189 S N 0.812 116.548 115.700 0.059 0.000 2.383 189 S HA -0.166 4.304 4.470 -0.000 0.000 0.229 189 S C 1.384 175.986 174.600 0.004 0.000 1.030 189 S CA 1.722 59.934 58.200 0.020 0.000 1.002 189 S CB -0.972 62.228 63.200 -0.001 0.000 0.829 189 S HN 0.281 nan 8.310 nan 0.000 0.467 190 D N -1.717 118.694 120.400 0.018 0.000 2.516 190 D HA 0.267 4.907 4.640 -0.000 0.000 0.241 190 D C 1.198 177.511 176.300 0.022 0.000 1.246 190 D CA 0.427 54.426 54.000 -0.002 0.000 0.808 190 D CB -0.224 40.548 40.800 -0.047 0.000 1.147 190 D HN 0.617 nan 8.370 nan 0.000 0.527 191 G N 0.336 109.169 108.800 0.054 0.000 2.179 191 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.260 191 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.260 191 G C 0.424 175.375 174.900 0.085 0.000 0.977 191 G CA 0.386 45.520 45.100 0.057 0.000 0.641 191 G HN 0.439 nan 8.290 nan 0.000 0.533 192 T N 1.745 116.375 114.554 0.127 0.000 2.867 192 T HA 0.476 4.826 4.350 -0.000 0.000 0.297 192 T C 0.310 175.145 174.700 0.226 0.000 0.989 192 T CA 1.119 63.323 62.100 0.173 0.000 1.159 192 T CB 1.124 70.108 68.868 0.194 0.000 0.928 192 T HN 0.447 nan 8.240 nan 0.000 0.538 193 S N 3.768 119.569 115.700 0.168 0.000 2.547 193 S HA 0.578 5.048 4.470 -0.000 0.000 0.281 193 S C -0.658 174.035 174.600 0.154 0.000 1.118 193 S CA -1.084 57.200 58.200 0.140 0.000 0.947 193 S CB 1.390 64.638 63.200 0.080 0.000 1.053 193 S HN 0.630 nan 8.310 nan 0.000 0.482 194 N N 1.488 120.287 118.700 0.166 0.000 2.229 194 N HA 0.651 5.391 4.740 -0.000 0.000 0.298 194 N C -1.314 174.267 175.510 0.118 0.000 1.114 194 N CA -0.473 52.681 53.050 0.172 0.000 0.776 194 N CB 2.417 41.073 38.487 0.281 0.000 1.501 194 N HN 0.656 nan 8.380 nan 0.000 0.474 195 I N 0.982 121.610 120.570 0.097 0.000 2.827 195 I HA 0.597 4.767 4.170 -0.000 0.000 0.298 195 I C -1.790 174.367 176.117 0.066 0.000 1.235 195 I CA -0.870 60.471 61.300 0.069 0.000 1.021 195 I CB 2.147 40.175 38.000 0.047 0.000 1.259 195 I HN 0.480 nan 8.210 nan 0.000 0.427 196 I N 5.281 125.885 120.570 0.056 0.000 2.743 196 I HA 0.565 4.735 4.170 -0.000 0.000 0.292 196 I C -1.218 174.926 176.117 0.045 0.000 1.343 196 I CA 0.257 61.589 61.300 0.054 0.000 1.038 196 I CB 2.265 40.303 38.000 0.064 0.000 1.311 196 I HN 0.664 nan 8.210 nan 0.000 0.426 197 T N 3.971 118.550 114.554 0.040 0.000 2.903 197 T HA 1.020 5.370 4.350 -0.000 0.000 0.299 197 T C -0.984 173.741 174.700 0.041 0.000 1.093 197 T CA -0.120 62.002 62.100 0.036 0.000 1.002 197 T CB 1.765 70.642 68.868 0.016 0.000 1.127 197 T HN 1.400 nan 8.240 nan 0.000 0.488 198 A N 1.340 124.190 122.820 0.050 0.000 2.606 198 A HA 0.787 5.107 4.320 -0.000 0.000 0.293 198 A C -0.391 177.231 177.584 0.064 0.000 1.082 198 A CA -0.899 51.171 52.037 0.055 0.000 0.685 198 A CB 1.637 20.675 19.000 0.065 0.000 1.284 198 A HN 0.841 nan 8.150 nan 0.000 0.408 199 S N -0.066 115.667 115.700 0.055 0.000 2.475 199 S HA 0.608 5.078 4.470 -0.000 0.000 0.281 199 S C -0.660 173.994 174.600 0.090 0.000 1.198 199 S CA -0.265 57.972 58.200 0.061 0.000 1.063 199 S CB 0.597 63.816 63.200 0.032 0.000 0.972 199 S HN 0.878 nan 8.310 nan 0.000 0.486 200 V N 3.484 123.487 119.914 0.149 0.000 2.711 200 V HA 0.314 4.434 4.120 -0.000 0.000 0.304 200 V C -0.935 175.265 176.094 0.177 0.000 1.097 200 V CA -0.989 61.396 62.300 0.142 0.000 0.906 200 V CB 2.178 34.084 31.823 0.138 0.000 1.015 200 V HN 0.738 nan 8.190 nan 0.000 0.427 201 D N 3.758 124.207 120.400 0.081 0.000 2.428 201 D HA 0.397 5.037 4.640 -0.000 0.000 0.221 201 D C 1.050 177.338 176.300 -0.020 0.000 1.123 201 D CA -0.194 53.837 54.000 0.050 0.000 0.869 201 D CB 1.241 42.034 40.800 -0.012 0.000 1.032 201 D HN 0.443 nan 8.370 nan 0.000 0.506 202 L N 3.244 124.451 121.223 -0.027 0.000 2.042 202 L HA -0.154 4.186 4.340 -0.000 0.000 0.210 202 L C 2.395 179.154 176.870 -0.186 0.000 1.076 202 L CA 0.954 55.741 54.840 -0.089 0.000 0.749 202 L CB -0.340 41.665 42.059 -0.090 0.000 0.893 202 L HN 0.432 nan 8.230 nan 0.000 0.432 203 K N 0.523 120.691 120.400 -0.386 0.000 2.211 203 K HA -0.182 4.138 4.320 -0.000 0.000 0.204 203 K C 1.947 178.163 176.600 -0.640 0.000 1.047 203 K CA 1.320 57.022 56.287 -0.975 0.000 0.935 203 K CB 0.036 31.981 32.500 -0.925 0.000 0.728 203 K HN 0.314 nan 8.250 nan 0.000 0.452 204 A N 0.051 122.689 122.820 -0.303 0.000 2.081 204 A HA 0.059 4.379 4.320 -0.000 0.000 0.214 204 A C 1.722 179.262 177.584 -0.073 0.000 1.158 204 A CA 0.627 52.564 52.037 -0.167 0.000 0.724 204 A CB 0.046 18.983 19.000 -0.104 0.000 0.826 204 A HN 0.244 nan 8.150 nan 0.000 0.463 205 I N -0.908 119.635 120.570 -0.045 0.000 3.039 205 I HA 0.190 4.360 4.170 -0.000 0.000 0.270 205 I C 0.408 176.569 176.117 0.072 0.000 1.150 205 I CA 0.502 61.814 61.300 0.019 0.000 1.448 205 I CB 0.116 38.131 38.000 0.025 0.000 1.197 205 I HN 0.087 nan 8.210 nan 0.000 0.450 206 L N 1.882 123.169 121.223 0.108 0.000 2.352 206 L HA 0.449 4.789 4.340 -0.000 0.000 0.269 206 L C -2.243 174.863 176.870 0.394 0.000 1.034 206 L CA -1.914 53.042 54.840 0.193 0.000 0.806 206 L CB 0.669 42.827 42.059 0.165 0.000 1.244 206 L HN -0.136 nan 8.230 nan 0.000 0.447 207 P HA 0.128 nan 4.420 nan 0.000 0.277 207 P C -0.143 177.173 177.300 0.026 0.000 1.271 207 P CA -0.389 62.858 63.100 0.245 0.000 0.795 207 P CB 0.899 32.674 31.700 0.125 0.000 1.101 208 E N -0.454 119.465 120.200 -0.469 0.000 2.085 208 E HA -0.152 4.198 4.350 -0.000 0.000 0.194 208 E C -0.103 176.080 176.600 -0.695 0.000 0.994 208 E CA 1.496 57.286 56.400 -1.016 0.000 0.801 208 E CB -0.106 28.987 29.700 -1.013 0.000 0.743 208 E HN 0.472 nan 8.360 nan 0.000 0.453 209 W N 0.966 122.145 121.300 -0.202 0.000 2.376 209 W HA 0.350 5.010 4.660 -0.000 0.000 0.312 209 W C -0.329 176.146 176.519 -0.073 0.000 1.060 209 W CA -0.774 56.501 57.345 -0.116 0.000 1.221 209 W CB 1.205 30.600 29.460 -0.108 0.000 1.281 209 W HN -0.235 nan 8.180 nan 0.000 0.456 210 V N 0.066 120.052 119.914 0.122 0.000 3.102 210 V HA 0.808 4.928 4.120 -0.000 0.000 0.312 210 V C -0.444 175.654 176.094 0.007 0.000 1.135 210 V CA -1.100 61.226 62.300 0.042 0.000 1.022 210 V CB 1.881 33.690 31.823 -0.023 0.000 1.056 210 V HN 0.313 nan 8.190 nan 0.000 0.436 211 S N 0.984 116.646 115.700 -0.064 0.000 2.482 211 S HA 0.822 5.292 4.470 -0.000 0.000 0.303 211 S C -0.368 174.041 174.600 -0.318 0.000 1.091 211 S CA -0.380 57.743 58.200 -0.128 0.000 1.057 211 S CB 1.549 64.690 63.200 -0.098 0.000 1.031 211 S HN 1.569 nan 8.310 nan 0.000 0.485 212 V N 0.431 120.121 119.914 -0.373 0.000 2.769 212 V HA 1.112 5.232 4.120 -0.000 0.000 0.312 212 V C 0.287 176.003 176.094 -0.630 0.000 1.058 212 V CA -0.188 61.729 62.300 -0.638 0.000 0.952 212 V CB 1.039 32.529 31.823 -0.555 0.000 1.019 212 V HN 1.060 nan 8.190 nan 0.000 0.445 213 G N 1.821 109.885 108.800 -1.226 0.000 2.348 213 G HA2 0.553 4.513 3.960 -0.000 0.000 0.296 213 G HA3 0.553 4.513 3.960 -0.000 0.000 0.296 213 G C -1.992 172.058 174.900 -1.417 0.000 1.258 213 G CA -0.740 43.696 45.100 -1.106 0.000 0.868 213 G HN 0.737 nan 8.290 nan 0.000 0.488 214 F N 0.898 120.571 119.950 -0.462 0.000 2.546 214 F HA 0.808 5.335 4.527 -0.000 0.000 0.320 214 F C 0.675 176.517 175.800 0.071 0.000 1.076 214 F CA -0.364 57.502 58.000 -0.223 0.000 0.928 214 F CB 2.694 41.459 39.000 -0.391 0.000 1.189 214 F HN 0.682 nan 8.300 nan 0.000 0.465 215 S N 0.488 116.328 115.700 0.234 0.000 2.588 215 S HA 1.004 5.474 4.470 -0.000 0.000 0.275 215 S C -0.776 173.824 174.600 0.000 0.000 1.130 215 S CA -0.487 57.759 58.200 0.078 0.000 0.855 215 S CB 2.101 65.229 63.200 -0.120 0.000 1.116 215 S HN 1.259 nan 8.310 nan 0.000 0.472 216 G N -0.995 107.810 108.800 0.007 0.000 2.559 216 G HA2 0.757 4.717 3.960 -0.000 0.000 0.291 216 G HA3 0.757 4.717 3.960 -0.000 0.000 0.291 216 G C -0.636 174.263 174.900 -0.002 0.000 1.424 216 G CA -0.251 44.821 45.100 -0.046 0.000 0.786 216 G HN 1.561 nan 8.290 nan 0.000 0.485 217 G N -1.905 106.852 108.800 -0.071 0.000 2.673 217 G HA2 0.633 4.593 3.960 -0.000 0.000 0.292 217 G HA3 0.633 4.593 3.960 -0.000 0.000 0.292 217 G C -1.905 173.006 174.900 0.017 0.000 1.450 217 G CA -0.373 44.720 45.100 -0.010 0.000 0.837 217 G HN 1.292 nan 8.290 nan 0.000 0.505 218 V N 1.528 121.476 119.914 0.058 0.000 2.357 218 V HA 0.508 4.628 4.120 -0.000 0.000 0.281 218 V C 1.102 177.195 176.094 -0.001 0.000 1.015 218 V CA 0.308 62.656 62.300 0.080 0.000 0.827 218 V CB 1.113 33.025 31.823 0.148 0.000 1.018 218 V HN 1.131 nan 8.190 nan 0.000 0.432 219 G N 3.286 112.035 108.800 -0.085 0.000 2.551 219 G HA2 -0.050 3.910 3.960 -0.000 0.000 0.216 219 G HA3 -0.050 3.910 3.960 -0.000 0.000 0.216 219 G C 0.522 175.320 174.900 -0.169 0.000 1.137 219 G CA 0.116 45.118 45.100 -0.164 0.000 0.798 219 G HN 0.610 nan 8.290 nan 0.000 0.536 220 N N -0.504 118.119 118.700 -0.128 0.000 2.540 220 N HA 0.427 5.167 4.740 -0.000 0.000 0.275 220 N C 1.185 176.699 175.510 0.006 0.000 1.053 220 N CA -0.104 52.892 53.050 -0.089 0.000 0.876 220 N CB 1.454 39.861 38.487 -0.135 0.000 1.284 220 N HN -0.061 nan 8.380 nan 0.000 0.518 221 A N 3.054 125.892 122.820 0.030 0.000 2.024 221 A HA -0.121 4.199 4.320 -0.000 0.000 0.220 221 A C 1.985 179.622 177.584 0.088 0.000 1.164 221 A CA 1.933 54.018 52.037 0.080 0.000 0.643 221 A CB -0.397 18.622 19.000 0.031 0.000 0.806 221 A HN 0.735 nan 8.150 nan 0.000 0.451 222 A N -0.671 122.180 122.820 0.051 0.000 2.067 222 A HA 0.036 4.356 4.320 -0.000 0.000 0.217 222 A C 1.167 178.799 177.584 0.079 0.000 1.156 222 A CA 0.928 52.996 52.037 0.052 0.000 0.683 222 A CB -0.101 18.916 19.000 0.028 0.000 0.808 222 A HN 0.571 nan 8.150 nan 0.000 0.455 223 E N -0.702 119.547 120.200 0.082 0.000 3.269 223 E HA 0.238 4.588 4.350 -0.000 0.000 0.221 223 E C -0.971 175.695 176.600 0.111 0.000 1.113 223 E CA -0.644 55.804 56.400 0.080 0.000 1.385 223 E CB 0.151 29.867 29.700 0.026 0.000 1.345 223 E HN 0.501 nan 8.360 nan 0.000 0.435 224 F N 3.102 123.060 119.950 0.014 0.000 2.506 224 F HA 0.047 4.574 4.527 -0.000 0.000 0.351 224 F C 0.491 176.304 175.800 0.022 0.000 1.136 224 F CA 0.270 58.282 58.000 0.021 0.000 1.298 224 F CB 0.504 39.515 39.000 0.019 0.000 1.145 224 F HN 0.139 nan 8.300 nan 0.000 0.593 225 E N 2.104 121.665 120.200 -1.064 0.000 2.401 225 E HA 0.379 4.729 4.350 -0.000 0.000 0.280 225 E C -1.568 174.310 176.600 -1.203 0.000 1.039 225 E CA -1.042 54.848 56.400 -0.849 0.000 0.814 225 E CB 1.335 30.796 29.700 -0.398 0.000 1.275 225 E HN 0.575 nan 8.360 nan 0.000 0.448 226 T N -0.885 113.231 114.554 -0.732 0.000 2.874 226 T HA 0.396 4.746 4.350 -0.000 0.000 0.281 226 T C -0.148 174.178 174.700 -0.623 0.000 0.994 226 T CA -0.620 61.182 62.100 -0.496 0.000 1.015 226 T CB 0.765 69.560 68.868 -0.121 0.000 1.028 226 T HN 0.564 nan 8.240 nan 0.000 0.523 227 H N 0.905 119.986 119.070 0.020 0.000 2.490 227 H HA 0.303 4.859 4.556 -0.000 0.000 0.230 227 H C -1.212 174.134 175.328 0.029 0.000 1.417 227 H CA -0.660 55.426 56.048 0.063 0.000 1.449 227 H CB 0.231 30.008 29.762 0.025 0.000 1.649 227 H HN 0.624 nan 8.280 nan 0.000 0.519 228 D N 2.109 122.590 120.400 0.134 0.000 2.233 228 D HA 0.168 4.807 4.640 -0.000 0.000 0.240 228 D C 0.512 176.859 176.300 0.078 0.000 1.074 228 D CA -0.451 53.594 54.000 0.075 0.000 0.838 228 D CB 2.992 43.846 40.800 0.090 0.000 1.124 228 D HN 0.245 nan 8.370 nan 0.000 0.475 229 V N 1.379 121.248 119.914 -0.076 0.000 2.370 229 V HA 0.215 4.335 4.120 -0.000 0.000 0.283 229 V C 0.304 176.490 176.094 0.154 0.000 1.023 229 V CA -0.530 61.726 62.300 -0.074 0.000 0.857 229 V CB 1.281 32.733 31.823 -0.618 0.000 0.985 229 V HN 0.303 nan 8.190 nan 0.000 0.443 230 L N 4.764 126.158 121.223 0.285 0.000 2.162 230 L HA 0.323 4.663 4.340 -0.000 0.000 0.205 230 L C 1.289 178.438 176.870 0.465 0.000 1.086 230 L CA 1.595 56.646 54.840 0.351 0.000 0.778 230 L CB -0.602 41.593 42.059 0.227 0.000 0.928 230 L HN 1.092 nan 8.230 nan 0.000 0.446 231 S N -3.422 112.569 115.700 0.485 0.000 2.596 231 S HA 0.574 5.044 4.470 -0.000 0.000 0.270 231 S C -1.916 173.091 174.600 0.679 0.000 1.155 231 S CA -0.781 57.670 58.200 0.418 0.000 0.827 231 S CB 2.094 65.459 63.200 0.275 0.000 1.130 231 S HN 0.084 nan 8.310 nan 0.000 0.467 232 W N 1.551 123.110 121.300 0.432 0.000 3.405 232 W HA 0.634 5.294 4.660 -0.000 0.000 0.329 232 W C -2.677 174.093 176.519 0.419 0.000 1.142 232 W CA -1.300 56.400 57.345 0.592 0.000 1.235 232 W CB 1.132 31.134 29.460 0.903 0.000 1.341 232 W HN 0.859 nan 8.180 nan 0.000 0.481 233 Y N 7.191 127.677 120.300 0.310 0.000 2.446 233 Y HA 0.758 5.308 4.550 -0.000 0.000 0.345 233 Y C -1.992 173.719 175.900 -0.314 0.000 0.984 233 Y CA -1.808 56.210 58.100 -0.137 0.000 1.058 233 Y CB 1.489 39.925 38.460 -0.040 0.000 1.220 233 Y HN 0.268 nan 8.280 nan 0.000 0.455 234 F N 3.791 122.650 119.950 -1.820 0.000 2.615 234 F HA 0.699 5.226 4.527 -0.000 0.000 0.312 234 F C -1.566 173.360 175.800 -1.457 0.000 1.119 234 F CA -0.216 56.850 58.000 -1.558 0.000 0.979 234 F CB 2.017 39.916 39.000 -1.836 0.000 1.266 234 F HN 0.545 nan 8.300 nan 0.000 0.444 235 T N 2.469 116.106 114.554 -1.529 0.000 2.956 235 T HA 0.686 5.036 4.350 -0.000 0.000 0.312 235 T C -1.263 172.959 174.700 -0.796 0.000 1.151 235 T CA -0.929 60.639 62.100 -0.886 0.000 1.024 235 T CB 1.613 70.189 68.868 -0.488 0.000 1.140 235 T HN 0.712 nan 8.240 nan 0.000 0.473 236 S N 1.846 117.341 115.700 -0.341 0.000 2.541 236 S HA 0.751 5.221 4.470 -0.000 0.000 0.271 236 S C -1.462 173.127 174.600 -0.018 0.000 1.133 236 S CA -0.906 57.236 58.200 -0.096 0.000 0.876 236 S CB 2.054 65.306 63.200 0.087 0.000 1.105 236 S HN 0.839 nan 8.310 nan 0.000 0.470 237 N N 1.650 120.364 118.700 0.023 0.000 2.455 237 N HA 0.283 5.023 4.740 -0.000 0.000 0.285 237 N C -1.744 173.790 175.510 0.040 0.000 1.080 237 N CA -0.507 52.555 53.050 0.019 0.000 0.932 237 N CB 1.511 39.995 38.487 -0.004 0.000 1.610 237 N HN 0.703 nan 8.380 nan 0.000 0.493 238 L N 2.782 124.025 121.223 0.032 0.000 2.315 238 L HA 0.470 4.810 4.340 -0.000 0.000 0.283 238 L C 0.610 177.499 176.870 0.032 0.000 1.089 238 L CA 0.651 55.514 54.840 0.039 0.000 0.833 238 L CB 0.616 42.687 42.059 0.019 0.000 1.170 238 L HN 0.847 nan 8.230 nan 0.000 0.442 239 E N 0.000 120.222 120.200 0.037 0.000 2.725 239 E HA 0.000 4.350 4.350 -0.000 0.000 0.291 239 E CA 0.000 nan 56.400 nan 0.000 0.976 239 E CB 0.000 nan 29.700 nan 0.000 0.812 239 E HN 0.000 nan 8.360 nan 0.000 0.440