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 2uzb_1_C DATA FIRST_RESID 1 DATA SEQUENCE MENFQKVEKI GEGTYGVVYK ARNKLTGEVV ALKKIRLDTE TEGVPSTAIR DATA SEQUENCE EISLLKELNH PNIVKLLDVI HTENKLYLVF EFLHQDLKKF MDASALTGIP DATA SEQUENCE LPLIKSYLFQ LLQGLAFCHS HRVLHRDLKP QNLLINTEGA IKLADFGLAR DATA SEQUENCE AFGVPVRTYX HEVVTLWYRA PEILLGCKYY STAVDIWSLG CIFAEMVTRR DATA SEQUENCE ALFPGDSEID QLFRIFRTLG TPDEVVWPGV TSMPDYKPSF PKWARQDFSK DATA SEQUENCE VVPPLDEDGR SLLSQMLHYD PNKRISAKAA LAHPFFQDVT KPVPHL 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.312 176.300 0.020 0.000 1.140 1 M CA 0.000 55.312 55.300 0.020 0.000 0.988 1 M CB 0.000 32.544 32.600 -0.093 0.000 1.302 2 E N 0.353 120.539 120.200 -0.024 0.000 2.333 2 E HA -0.001 4.348 4.350 -0.001 0.000 0.198 2 E C 0.685 177.232 176.600 -0.089 0.000 1.007 2 E CA 0.815 57.188 56.400 -0.045 0.000 0.845 2 E CB -0.146 29.524 29.700 -0.050 0.000 0.766 2 E HN 0.566 nan 8.360 nan 0.000 0.507 3 N N -0.066 118.525 118.700 -0.182 0.000 2.336 3 N HA 0.028 4.767 4.740 -0.001 0.000 0.189 3 N C -0.757 174.465 175.510 -0.480 0.000 1.113 3 N CA 0.354 53.190 53.050 -0.357 0.000 0.858 3 N CB 0.392 38.596 38.487 -0.472 0.000 0.970 3 N HN -0.015 nan 8.380 nan 0.000 0.471 4 F N 0.702 120.595 119.950 -0.094 0.000 2.467 4 F HA 0.321 4.847 4.527 -0.001 0.000 0.336 4 F C 0.344 176.086 175.800 -0.098 0.000 1.123 4 F CA -0.917 57.022 58.000 -0.101 0.000 0.964 4 F CB 1.720 40.637 39.000 -0.137 0.000 1.136 4 F HN -0.271 nan 8.300 nan 0.000 0.447 5 Q N 3.402 123.273 119.800 0.117 0.000 2.368 5 Q HA 0.303 4.642 4.340 -0.001 0.000 0.256 5 Q C -0.799 175.218 176.000 0.028 0.000 0.980 5 Q CA -0.517 55.309 55.803 0.039 0.000 0.887 5 Q CB 0.838 29.582 28.738 0.009 0.000 1.221 5 Q HN 0.402 nan 8.270 nan 0.000 0.458 6 K N 2.930 123.320 120.400 -0.017 0.000 2.402 6 K HA 0.026 4.346 4.320 -0.001 0.000 0.285 6 K C 0.444 177.040 176.600 -0.007 0.000 1.054 6 K CA -0.215 56.045 56.287 -0.046 0.000 1.001 6 K CB 0.750 33.171 32.500 -0.131 0.000 0.946 6 K HN 0.476 nan 8.250 nan 0.000 0.473 7 V N 2.882 122.796 119.914 -0.001 0.000 2.273 7 V HA -0.185 3.934 4.120 -0.001 0.000 0.242 7 V C 0.621 176.734 176.094 0.031 0.000 1.035 7 V CA 1.373 63.668 62.300 -0.009 0.000 1.013 7 V CB -0.543 31.239 31.823 -0.069 0.000 0.652 7 V HN 0.948 nan 8.190 nan 0.000 0.452 8 E N -1.200 119.049 120.200 0.082 0.000 2.396 8 E HA 0.338 4.687 4.350 -0.001 0.000 0.280 8 E C -0.964 175.762 176.600 0.211 0.000 1.065 8 E CA -0.933 55.542 56.400 0.125 0.000 0.831 8 E CB 1.282 31.025 29.700 0.072 0.000 1.272 8 E HN 0.071 nan 8.360 nan 0.000 0.443 9 K N 2.189 122.705 120.400 0.194 0.000 2.412 9 K HA 0.152 4.471 4.320 -0.001 0.000 0.284 9 K C 0.526 177.117 176.600 -0.015 0.000 1.046 9 K CA -0.081 56.219 56.287 0.022 0.000 0.999 9 K CB 0.184 32.668 32.500 -0.026 0.000 0.941 9 K HN 0.618 nan 8.250 nan 0.000 0.474 10 I N 1.460 122.001 120.570 -0.048 0.000 3.889 10 I HA 0.419 4.588 4.170 -0.001 0.000 0.332 10 I C 0.477 176.568 176.117 -0.045 0.000 1.493 10 I CA -0.514 60.788 61.300 0.004 0.000 1.158 10 I CB 0.078 38.137 38.000 0.100 0.000 1.117 10 I HN 0.743 nan 8.210 nan 0.000 0.411 11 G N 0.676 109.415 108.800 -0.102 0.000 2.357 11 G HA2 0.082 4.042 3.960 -0.001 0.000 0.289 11 G HA3 0.082 4.042 3.960 -0.001 0.000 0.289 11 G C -1.262 173.560 174.900 -0.129 0.000 1.302 11 G CA -0.675 44.370 45.100 -0.092 0.000 0.936 11 G HN 0.124 nan 8.290 nan 0.000 0.513 12 E N -1.131 119.014 120.200 -0.092 0.000 2.518 12 E HA 0.844 5.193 4.350 -0.001 0.000 0.241 12 E C 0.654 177.216 176.600 -0.064 0.000 0.899 12 E CA 0.052 56.403 56.400 -0.082 0.000 0.888 12 E CB 1.406 31.072 29.700 -0.058 0.000 1.426 12 E HN 1.532 nan 8.360 nan 0.000 0.401 13 G N -1.102 107.672 108.800 -0.044 0.000 2.725 13 G HA2 0.257 4.216 3.960 -0.001 0.000 0.098 13 G HA3 0.257 4.216 3.960 -0.001 0.000 0.098 13 G C -0.026 174.867 174.900 -0.013 0.000 1.188 13 G CA 0.653 45.741 45.100 -0.020 0.000 1.237 13 G HN 0.402 nan 8.290 nan 0.000 0.596 14 T N -1.729 112.831 114.554 0.010 0.000 3.719 14 T HA 0.147 4.497 4.350 -0.001 0.000 0.285 14 T C 1.550 176.229 174.700 -0.034 0.000 0.963 14 T CA 0.239 62.325 62.100 -0.023 0.000 1.154 14 T CB 0.019 68.869 68.868 -0.030 0.000 1.123 14 T HN 0.206 nan 8.240 nan 0.000 0.448 15 Y N 2.070 122.355 120.300 -0.024 0.000 2.263 15 Y HA 0.370 4.919 4.550 -0.001 0.000 0.292 15 Y C 1.559 177.438 175.900 -0.035 0.000 1.130 15 Y CA 1.213 59.298 58.100 -0.025 0.000 1.179 15 Y CB 0.275 38.722 38.460 -0.020 0.000 0.998 15 Y HN 0.336 nan 8.280 nan 0.000 0.532 16 G N -1.053 107.821 108.800 0.124 0.000 2.619 16 G HA2 0.551 4.510 3.960 -0.001 0.000 0.296 16 G HA3 0.551 4.510 3.960 -0.001 0.000 0.296 16 G C -2.014 172.886 174.900 -0.000 0.000 1.334 16 G CA -0.524 44.607 45.100 0.050 0.000 0.934 16 G HN -0.196 nan 8.290 nan 0.000 0.476 17 V N 0.175 120.074 119.914 -0.026 0.000 2.680 17 V HA 0.593 4.712 4.120 -0.001 0.000 0.309 17 V C -0.220 175.764 176.094 -0.182 0.000 1.052 17 V CA -0.792 61.425 62.300 -0.138 0.000 0.908 17 V CB 1.782 33.488 31.823 -0.196 0.000 1.001 17 V HN 0.587 nan 8.190 nan 0.000 0.431 18 V N 4.478 124.229 119.914 -0.271 0.000 2.398 18 V HA 0.547 4.667 4.120 -0.001 0.000 0.286 18 V C -0.926 175.001 176.094 -0.279 0.000 1.026 18 V CA -0.548 61.665 62.300 -0.145 0.000 0.868 18 V CB 1.091 32.875 31.823 -0.065 0.000 0.982 18 V HN 0.762 nan 8.190 nan 0.000 0.443 19 Y N 2.139 122.495 120.300 0.093 0.000 2.598 19 Y HA 0.578 5.127 4.550 -0.001 0.000 0.340 19 Y C 0.138 176.093 175.900 0.092 0.000 1.038 19 Y CA -1.091 57.057 58.100 0.079 0.000 1.100 19 Y CB 1.805 40.299 38.460 0.057 0.000 1.281 19 Y HN 0.443 nan 8.280 nan 0.000 0.488 20 K N 1.373 121.913 120.400 0.234 0.000 2.185 20 K HA 0.862 5.181 4.320 -0.001 0.000 0.269 20 K C -1.268 175.322 176.600 -0.018 0.000 0.987 20 K CA -0.329 55.973 56.287 0.025 0.000 0.865 20 K CB 0.891 33.305 32.500 -0.144 0.000 1.090 20 K HN 0.838 nan 8.250 nan 0.000 0.450 21 A N 3.599 126.382 122.820 -0.061 0.000 2.583 21 A HA 0.701 5.020 4.320 -0.001 0.000 0.289 21 A C -1.600 176.002 177.584 0.029 0.000 1.151 21 A CA -1.085 50.947 52.037 -0.008 0.000 0.695 21 A CB 1.315 20.308 19.000 -0.013 0.000 1.290 21 A HN 0.887 nan 8.150 nan 0.000 0.419 22 R N 0.946 121.511 120.500 0.110 0.000 2.621 22 R HA 0.467 4.806 4.340 -0.001 0.000 0.284 22 R C -1.059 175.323 176.300 0.137 0.000 0.998 22 R CA -0.892 55.273 56.100 0.108 0.000 0.895 22 R CB 1.139 31.439 30.300 0.001 0.000 1.195 22 R HN 0.556 nan 8.270 nan 0.000 0.450 23 N N 2.319 121.049 118.700 0.050 0.000 2.332 23 N HA -0.085 4.654 4.740 -0.001 0.000 0.274 23 N C -0.006 175.419 175.510 -0.143 0.000 1.351 23 N CA 0.462 53.382 53.050 -0.216 0.000 0.875 23 N CB 0.774 39.158 38.487 -0.172 0.000 1.140 23 N HN 0.616 nan 8.380 nan 0.000 0.489 24 K N 3.117 123.414 120.400 -0.170 0.000 2.442 24 K HA -0.033 4.286 4.320 -0.001 0.000 0.198 24 K C 1.403 177.942 176.600 -0.101 0.000 1.042 24 K CA 0.773 56.996 56.287 -0.108 0.000 0.958 24 K CB 0.405 32.845 32.500 -0.101 0.000 0.766 24 K HN 0.494 nan 8.250 nan 0.000 0.474 25 L N -0.455 120.691 121.223 -0.128 0.000 2.362 25 L HA -0.018 4.321 4.340 -0.001 0.000 0.204 25 L C 2.314 179.136 176.870 -0.079 0.000 1.060 25 L CA 0.987 55.766 54.840 -0.102 0.000 0.827 25 L CB 0.130 42.119 42.059 -0.117 0.000 1.027 25 L HN 0.235 nan 8.230 nan 0.000 0.474 26 T N -4.477 110.026 114.554 -0.084 0.000 3.022 26 T HA 0.202 4.551 4.350 -0.001 0.000 0.250 26 T C 1.484 176.161 174.700 -0.037 0.000 1.060 26 T CA 0.604 62.671 62.100 -0.054 0.000 1.013 26 T CB 0.775 69.613 68.868 -0.049 0.000 0.982 26 T HN 0.384 nan 8.240 nan 0.000 0.508 27 G N 1.272 110.046 108.800 -0.044 0.000 2.184 27 G HA2 -0.280 3.680 3.960 -0.001 0.000 0.264 27 G HA3 -0.280 3.680 3.960 -0.001 0.000 0.264 27 G C -0.124 174.770 174.900 -0.009 0.000 0.975 27 G CA 0.312 45.396 45.100 -0.027 0.000 0.642 27 G HN 0.733 nan 8.290 nan 0.000 0.536 28 E N 0.436 120.638 120.200 0.004 0.000 2.480 28 E HA 0.310 4.659 4.350 -0.001 0.000 0.258 28 E C 0.516 177.145 176.600 0.050 0.000 0.984 28 E CA -0.147 56.276 56.400 0.038 0.000 0.930 28 E CB 0.626 30.362 29.700 0.060 0.000 0.936 28 E HN 0.159 nan 8.360 nan 0.000 0.466 29 V N 5.389 125.317 119.914 0.024 0.000 2.546 29 V HA 0.186 4.305 4.120 -0.001 0.000 0.284 29 V C 0.455 176.580 176.094 0.053 0.000 1.050 29 V CA -0.247 62.028 62.300 -0.042 0.000 0.981 29 V CB 1.107 32.809 31.823 -0.202 0.000 0.990 29 V HN 0.500 nan 8.190 nan 0.000 0.474 30 V N 1.859 121.817 119.914 0.073 0.000 3.155 30 V HA 1.025 5.144 4.120 -0.001 0.000 0.313 30 V C -0.141 176.087 176.094 0.223 0.000 1.162 30 V CA -1.089 61.322 62.300 0.185 0.000 1.048 30 V CB 1.939 33.869 31.823 0.179 0.000 1.092 30 V HN 0.993 nan 8.190 nan 0.000 0.447 31 A N 1.665 124.681 122.820 0.327 0.000 2.288 31 A HA 0.853 5.172 4.320 -0.001 0.000 0.320 31 A C -0.746 176.991 177.584 0.255 0.000 1.217 31 A CA -0.582 51.661 52.037 0.343 0.000 0.840 31 A CB 0.524 19.744 19.000 0.367 0.000 1.179 31 A HN 0.896 nan 8.150 nan 0.000 0.504 32 L N 2.496 123.844 121.223 0.208 0.000 2.280 32 L HA 0.439 4.778 4.340 -0.001 0.000 0.287 32 L C 0.241 177.309 176.870 0.330 0.000 1.023 32 L CA -0.403 54.553 54.840 0.193 0.000 0.819 32 L CB 1.597 43.711 42.059 0.092 0.000 1.212 32 L HN 0.763 nan 8.230 nan 0.000 0.420 33 K N 4.832 125.427 120.400 0.325 0.000 2.281 33 K HA 0.257 4.576 4.320 -0.001 0.000 0.272 33 K C -0.556 176.144 176.600 0.166 0.000 1.048 33 K CA -0.597 55.838 56.287 0.246 0.000 0.898 33 K CB 0.807 33.464 32.500 0.262 0.000 1.128 33 K HN 0.327 nan 8.250 nan 0.000 0.460 34 K N 6.718 127.182 120.400 0.106 0.000 2.240 34 K HA 0.270 4.589 4.320 -0.001 0.000 0.271 34 K C -0.987 175.532 176.600 -0.135 0.000 1.018 34 K CA -0.505 55.672 56.287 -0.184 0.000 0.874 34 K CB 0.584 32.995 32.500 -0.149 0.000 1.098 34 K HN 0.619 nan 8.250 nan 0.000 0.458 35 I N 4.256 124.710 120.570 -0.193 0.000 2.493 35 I HA 0.376 4.546 4.170 -0.001 0.000 0.298 35 I C 0.270 176.327 176.117 -0.100 0.000 0.998 35 I CA -1.081 60.173 61.300 -0.078 0.000 1.137 35 I CB 1.721 39.691 38.000 -0.051 0.000 1.310 35 I HN 0.381 nan 8.210 nan 0.000 0.445 36 R N 5.631 126.129 120.500 -0.004 0.000 2.298 36 R HA 0.356 4.695 4.340 -0.001 0.000 0.310 36 R C 0.250 176.580 176.300 0.050 0.000 1.068 36 R CA -0.393 55.710 56.100 0.005 0.000 0.957 36 R CB 1.107 31.417 30.300 0.017 0.000 1.003 36 R HN 0.684 nan 8.270 nan 0.000 0.454 37 L N 1.605 122.843 121.223 0.024 0.000 2.463 37 L HA 0.002 4.341 4.340 -0.001 0.000 0.219 37 L C 0.061 176.964 176.870 0.056 0.000 1.088 37 L CA 0.184 55.052 54.840 0.046 0.000 0.849 37 L CB 0.008 42.087 42.059 0.032 0.000 1.012 37 L HN 0.650 nan 8.230 nan 0.000 0.468 38 D N -0.951 119.474 120.400 0.042 0.000 2.808 38 D HA -0.210 4.430 4.640 -0.001 0.000 0.195 38 D C 0.619 176.942 176.300 0.039 0.000 1.057 38 D CA 1.380 55.402 54.000 0.036 0.000 1.026 38 D CB -1.089 39.730 40.800 0.032 0.000 1.115 38 D HN 0.416 nan 8.370 nan 0.000 0.421 39 T N -1.534 113.049 114.554 0.049 0.000 0.541 39 T HA -0.299 4.051 4.350 -0.001 0.000 0.774 39 T C 0.813 175.538 174.700 0.043 0.000 0.992 39 T CA 1.479 63.609 62.100 0.050 0.000 4.077 39 T CB -0.554 68.341 68.868 0.044 0.000 2.303 39 T HN 0.342 nan 8.240 nan 0.000 0.398 40 E N -0.877 119.346 120.200 0.038 0.000 4.876 40 E HA -0.359 3.991 4.350 -0.001 0.000 0.174 40 E C 1.619 178.239 176.600 0.032 0.000 1.304 40 E CA 3.445 59.864 56.400 0.031 0.000 2.277 40 E CB -2.070 27.645 29.700 0.026 0.000 1.860 40 E HN 1.008 nan 8.360 nan 0.000 0.382 41 T N -1.896 112.679 114.554 0.036 0.000 2.739 41 T HA 0.079 4.428 4.350 -0.001 0.000 0.246 41 T C 1.707 176.433 174.700 0.043 0.000 1.058 41 T CA 1.423 63.544 62.100 0.036 0.000 1.184 41 T CB -0.164 68.726 68.868 0.036 0.000 0.887 41 T HN 0.063 nan 8.240 nan 0.000 0.408 42 E N 0.100 120.333 120.200 0.055 0.000 2.571 42 E HA 0.425 4.774 4.350 -0.001 0.000 0.222 42 E C 0.805 177.442 176.600 0.061 0.000 0.904 42 E CA 0.641 57.078 56.400 0.062 0.000 1.157 42 E CB 1.012 30.762 29.700 0.083 0.000 1.158 42 E HN 0.812 nan 8.360 nan 0.000 0.540 43 G N 0.083 108.921 108.800 0.062 0.000 2.499 43 G HA2 -0.277 3.683 3.960 -0.001 0.000 0.232 43 G HA3 -0.277 3.683 3.960 -0.001 0.000 0.232 43 G C -0.508 174.420 174.900 0.047 0.000 1.251 43 G CA -0.382 44.754 45.100 0.060 0.000 0.917 43 G HN 0.180 nan 8.290 nan 0.000 0.580 44 V N 3.396 123.331 119.914 0.035 0.000 2.439 44 V HA 0.388 4.507 4.120 -0.001 0.000 0.271 44 V C -1.261 174.796 176.094 -0.062 0.000 1.040 44 V CA -0.371 61.918 62.300 -0.018 0.000 1.002 44 V CB 0.753 32.578 31.823 0.004 0.000 1.000 44 V HN 0.624 nan 8.190 nan 0.000 0.477 45 P HA 0.102 nan 4.420 nan 0.000 0.268 45 P C 0.892 178.072 177.300 -0.199 0.000 1.208 45 P CA 0.019 62.952 63.100 -0.279 0.000 0.777 45 P CB 0.509 31.754 31.700 -0.758 0.000 0.875 46 S N 0.312 115.924 115.700 -0.147 0.000 2.383 46 S HA -0.173 4.296 4.470 -0.001 0.000 0.227 46 S C 1.793 176.335 174.600 -0.097 0.000 1.026 46 S CA 1.706 59.856 58.200 -0.083 0.000 0.981 46 S CB -1.581 61.601 63.200 -0.030 0.000 0.818 46 S HN 0.711 nan 8.310 nan 0.000 0.472 47 T N 1.389 115.848 114.554 -0.159 0.000 2.720 47 T HA -0.017 4.332 4.350 -0.001 0.000 0.268 47 T C 1.968 176.613 174.700 -0.091 0.000 1.037 47 T CA 1.170 63.203 62.100 -0.111 0.000 1.144 47 T CB -0.761 68.023 68.868 -0.139 0.000 0.864 47 T HN 0.450 nan 8.240 nan 0.000 0.444 48 A N 1.384 124.113 122.820 -0.153 0.000 1.873 48 A HA 0.134 4.454 4.320 -0.001 0.000 0.215 48 A C 2.358 179.909 177.584 -0.055 0.000 1.186 48 A CA 1.334 53.309 52.037 -0.103 0.000 0.616 48 A CB -0.916 17.988 19.000 -0.159 0.000 0.823 48 A HN 0.477 nan 8.150 nan 0.000 0.442 49 I N -0.310 120.224 120.570 -0.059 0.000 2.163 49 I HA -0.291 3.879 4.170 -0.001 0.000 0.243 49 I C 2.769 178.880 176.117 -0.010 0.000 1.085 49 I CA 1.552 62.836 61.300 -0.027 0.000 1.347 49 I CB -0.233 37.755 38.000 -0.020 0.000 1.044 49 I HN 0.267 nan 8.210 nan 0.000 0.408 50 R N -0.098 120.397 120.500 -0.009 0.000 2.070 50 R HA -0.232 4.107 4.340 -0.001 0.000 0.232 50 R C 2.249 178.571 176.300 0.035 0.000 1.138 50 R CA 1.921 58.029 56.100 0.013 0.000 0.936 50 R CB -0.648 29.660 30.300 0.013 0.000 0.839 50 R HN 0.416 nan 8.270 nan 0.000 0.429 51 E N 0.934 121.165 120.200 0.051 0.000 2.055 51 E HA -0.263 4.086 4.350 -0.001 0.000 0.209 51 E C 1.970 178.611 176.600 0.067 0.000 1.036 51 E CA 2.036 58.498 56.400 0.105 0.000 0.849 51 E CB -0.215 29.556 29.700 0.118 0.000 0.767 51 E HN 0.264 nan 8.360 nan 0.000 0.461 52 I N 0.706 121.297 120.570 0.034 0.000 2.163 52 I HA -0.304 3.865 4.170 -0.001 0.000 0.243 52 I C 2.716 178.827 176.117 -0.010 0.000 1.085 52 I CA 1.594 62.896 61.300 0.002 0.000 1.347 52 I CB -0.347 37.646 38.000 -0.012 0.000 1.044 52 I HN 0.267 nan 8.210 nan 0.000 0.408 53 S N 0.806 116.504 115.700 -0.004 0.000 2.387 53 S HA -0.038 4.431 4.470 -0.001 0.000 0.226 53 S C 1.991 176.583 174.600 -0.013 0.000 1.026 53 S CA 0.585 58.781 58.200 -0.007 0.000 0.972 53 S CB -0.766 62.433 63.200 -0.002 0.000 0.814 53 S HN 0.357 nan 8.310 nan 0.000 0.477 54 L N 0.383 121.599 121.223 -0.012 0.000 1.994 54 L HA -0.051 4.288 4.340 -0.001 0.000 0.208 54 L C 2.660 179.470 176.870 -0.099 0.000 1.071 54 L CA 0.912 55.735 54.840 -0.028 0.000 0.745 54 L CB -0.751 41.316 42.059 0.012 0.000 0.892 54 L HN 0.291 nan 8.230 nan 0.000 0.431 55 L N 0.311 121.444 121.223 -0.149 0.000 2.051 55 L HA -0.258 4.082 4.340 -0.001 0.000 0.214 55 L C 2.568 179.383 176.870 -0.092 0.000 1.076 55 L CA 1.754 56.476 54.840 -0.196 0.000 0.758 55 L CB -1.015 40.987 42.059 -0.095 0.000 0.890 55 L HN 0.184 nan 8.230 nan 0.000 0.433 56 K N -0.431 119.940 120.400 -0.049 0.000 2.293 56 K HA -0.217 4.102 4.320 -0.001 0.000 0.204 56 K C 1.631 178.238 176.600 0.011 0.000 1.045 56 K CA 1.260 57.535 56.287 -0.019 0.000 0.933 56 K CB -0.073 32.420 32.500 -0.012 0.000 0.736 56 K HN 0.418 nan 8.250 nan 0.000 0.463 57 E N -0.523 119.690 120.200 0.022 0.000 2.548 57 E HA 0.167 4.516 4.350 -0.001 0.000 0.206 57 E C -0.397 176.307 176.600 0.174 0.000 1.005 57 E CA -0.033 56.424 56.400 0.095 0.000 0.951 57 E CB 0.455 30.211 29.700 0.092 0.000 1.035 57 E HN 0.026 nan 8.360 nan 0.000 0.470 58 L N 1.574 122.853 121.223 0.093 0.000 2.784 58 L HA 0.370 4.710 4.340 -0.001 0.000 0.241 58 L C -0.399 176.508 176.870 0.062 0.000 1.352 58 L CA -0.305 54.613 54.840 0.129 0.000 0.911 58 L CB 0.548 42.555 42.059 -0.087 0.000 1.227 58 L HN 0.035 nan 8.230 nan 0.000 0.501 59 N N 1.074 119.838 118.700 0.106 0.000 2.469 59 N HA 0.223 4.963 4.740 -0.001 0.000 0.239 59 N C -0.843 174.495 175.510 -0.286 0.000 1.053 59 N CA -0.248 52.778 53.050 -0.039 0.000 0.937 59 N CB 0.423 38.916 38.487 0.010 0.000 1.163 59 N HN 0.374 nan 8.380 nan 0.000 0.509 60 H N 2.507 121.320 119.070 -0.428 0.000 2.974 60 H HA 0.286 4.841 4.556 -0.001 0.000 0.366 60 H C -1.996 173.147 175.328 -0.310 0.000 1.155 60 H CA -1.560 54.127 56.048 -0.601 0.000 1.186 60 H CB 1.787 31.017 29.762 -0.888 0.000 1.799 60 H HN 0.309 nan 8.280 nan 0.000 0.541 61 P HA -0.152 nan 4.420 nan 0.000 0.216 61 P C -0.135 177.116 177.300 -0.081 0.000 1.154 61 P CA 1.644 64.576 63.100 -0.280 0.000 0.865 61 P CB 0.191 31.683 31.700 -0.347 0.000 0.789 62 N N -1.388 117.380 118.700 0.113 0.000 2.276 62 N HA 0.190 4.930 4.740 -0.001 0.000 0.212 62 N C 0.003 175.539 175.510 0.044 0.000 1.127 62 N CA -0.087 53.008 53.050 0.075 0.000 0.834 62 N CB 0.062 38.589 38.487 0.066 0.000 1.014 62 N HN 0.171 nan 8.380 nan 0.000 0.491 63 I N 1.224 121.828 120.570 0.057 0.000 2.433 63 I HA 0.209 4.378 4.170 -0.001 0.000 0.292 63 I C 0.195 176.353 176.117 0.068 0.000 1.001 63 I CA -1.492 59.858 61.300 0.084 0.000 1.119 63 I CB 1.838 39.872 38.000 0.056 0.000 1.289 63 I HN -0.150 nan 8.210 nan 0.000 0.438 64 V N 3.043 123.021 119.914 0.107 0.000 2.584 64 V HA -0.007 4.112 4.120 -0.001 0.000 0.303 64 V C 0.518 176.718 176.094 0.176 0.000 1.035 64 V CA -0.311 62.066 62.300 0.128 0.000 1.172 64 V CB -0.309 31.583 31.823 0.116 0.000 0.896 64 V HN 0.762 nan 8.190 nan 0.000 0.486 65 K N 3.652 124.139 120.400 0.145 0.000 2.412 65 K HA 0.236 4.555 4.320 -0.001 0.000 0.284 65 K C -0.345 176.346 176.600 0.151 0.000 1.046 65 K CA -0.599 55.754 56.287 0.109 0.000 0.999 65 K CB 0.586 33.121 32.500 0.059 0.000 0.941 65 K HN 0.743 nan 8.250 nan 0.000 0.474 66 L N 6.289 127.525 121.223 0.021 0.000 2.361 66 L HA 0.075 4.415 4.340 -0.001 0.000 0.278 66 L C 0.412 177.178 176.870 -0.174 0.000 1.113 66 L CA 0.591 55.292 54.840 -0.232 0.000 0.849 66 L CB 0.579 42.514 42.059 -0.207 0.000 1.155 66 L HN 0.774 nan 8.230 nan 0.000 0.452 67 L N 3.023 124.121 121.223 -0.209 0.000 2.408 67 L HA 0.336 4.676 4.340 -0.001 0.000 0.215 67 L C -0.104 176.728 176.870 -0.064 0.000 1.081 67 L CA 0.238 55.033 54.840 -0.075 0.000 0.840 67 L CB 0.149 42.207 42.059 -0.001 0.000 1.002 67 L HN 0.649 nan 8.230 nan 0.000 0.468 68 D N -1.790 118.539 120.400 -0.117 0.000 2.766 68 D HA 0.226 4.865 4.640 -0.001 0.000 0.244 68 D C -1.576 174.678 176.300 -0.076 0.000 1.198 68 D CA -0.122 53.844 54.000 -0.055 0.000 0.739 68 D CB 2.522 43.337 40.800 0.025 0.000 1.379 68 D HN -0.383 nan 8.370 nan 0.000 0.437 69 V N 3.021 122.922 119.914 -0.022 0.000 2.444 69 V HA 0.533 4.653 4.120 -0.001 0.000 0.294 69 V C 0.010 176.141 176.094 0.063 0.000 1.022 69 V CA -0.556 61.745 62.300 0.003 0.000 0.850 69 V CB 1.513 33.339 31.823 0.005 0.000 0.992 69 V HN 0.377 nan 8.190 nan 0.000 0.426 70 I N 4.216 124.845 120.570 0.098 0.000 2.355 70 I HA 0.395 4.565 4.170 -0.001 0.000 0.288 70 I C -0.000 176.241 176.117 0.208 0.000 0.999 70 I CA -0.314 61.069 61.300 0.138 0.000 1.163 70 I CB 1.040 39.100 38.000 0.100 0.000 1.316 70 I HN 0.691 nan 8.210 nan 0.000 0.454 71 H N 4.623 123.746 119.070 0.087 0.000 2.375 71 H HA 0.156 4.711 4.556 -0.001 0.000 0.230 71 H C 0.183 175.557 175.328 0.077 0.000 1.511 71 H CA -0.433 55.662 56.048 0.079 0.000 1.215 71 H CB 0.599 30.388 29.762 0.046 0.000 1.580 71 H HN 0.612 nan 8.280 nan 0.000 0.537 72 T N 1.079 115.804 114.554 0.285 0.000 2.761 72 T HA -0.080 4.269 4.350 -0.001 0.000 0.287 72 T C 1.333 176.172 174.700 0.232 0.000 0.931 72 T CA -0.256 61.970 62.100 0.211 0.000 1.164 72 T CB 0.476 69.451 68.868 0.179 0.000 0.876 72 T HN 0.833 nan 8.240 nan 0.000 0.534 73 E N 3.744 124.055 120.200 0.186 0.000 2.526 73 E HA -0.177 4.172 4.350 -0.001 0.000 0.205 73 E C 0.439 177.126 176.600 0.145 0.000 1.104 73 E CA 0.844 57.359 56.400 0.191 0.000 0.899 73 E CB -0.094 29.654 29.700 0.080 0.000 0.838 73 E HN 0.767 nan 8.360 nan 0.000 0.564 74 N N 0.631 119.403 118.700 0.121 0.000 2.510 74 N HA 0.080 4.819 4.740 -0.001 0.000 0.186 74 N C -0.333 175.211 175.510 0.056 0.000 1.051 74 N CA 0.443 53.542 53.050 0.081 0.000 0.877 74 N CB 0.270 38.802 38.487 0.075 0.000 1.183 74 N HN 0.035 nan 8.380 nan 0.000 0.443 75 K N -0.212 120.223 120.400 0.058 0.000 2.477 75 K HA 0.553 4.873 4.320 -0.001 0.000 0.255 75 K C -1.475 175.097 176.600 -0.047 0.000 0.952 75 K CA -0.666 55.594 56.287 -0.045 0.000 0.826 75 K CB 2.582 35.006 32.500 -0.128 0.000 1.331 75 K HN -0.051 nan 8.250 nan 0.000 0.437 76 L N 1.319 122.434 121.223 -0.180 0.000 2.334 76 L HA 0.583 4.923 4.340 -0.001 0.000 0.272 76 L C -1.669 175.078 176.870 -0.205 0.000 1.020 76 L CA -0.251 54.492 54.840 -0.160 0.000 0.812 76 L CB 0.935 42.827 42.059 -0.278 0.000 1.264 76 L HN 0.625 nan 8.230 nan 0.000 0.439 77 Y N 3.950 124.224 120.300 -0.045 0.000 2.406 77 Y HA 0.568 5.117 4.550 -0.001 0.000 0.340 77 Y C -0.831 175.039 175.900 -0.050 0.000 0.975 77 Y CA -0.866 57.217 58.100 -0.027 0.000 1.056 77 Y CB 1.670 40.101 38.460 -0.048 0.000 1.210 77 Y HN 0.360 nan 8.280 nan 0.000 0.448 78 L N 3.649 124.942 121.223 0.116 0.000 2.307 78 L HA 0.703 5.042 4.340 -0.001 0.000 0.282 78 L C -0.706 176.124 176.870 -0.066 0.000 1.051 78 L CA -1.243 53.575 54.840 -0.037 0.000 0.804 78 L CB 1.071 43.077 42.059 -0.088 0.000 1.197 78 L HN 0.282 nan 8.230 nan 0.000 0.431 79 V N 3.163 122.948 119.914 -0.216 0.000 2.311 79 V HA 0.381 4.501 4.120 -0.001 0.000 0.275 79 V C -0.199 175.758 176.094 -0.228 0.000 1.022 79 V CA -0.180 62.034 62.300 -0.144 0.000 0.830 79 V CB 0.508 32.281 31.823 -0.084 0.000 1.012 79 V HN 0.413 nan 8.190 nan 0.000 0.452 80 F N 2.245 122.230 119.950 0.059 0.000 2.440 80 F HA 0.459 4.985 4.527 -0.001 0.000 0.328 80 F C 0.994 176.854 175.800 0.100 0.000 1.070 80 F CA -1.056 56.987 58.000 0.071 0.000 1.011 80 F CB 1.055 40.094 39.000 0.066 0.000 1.226 80 F HN 0.621 nan 8.300 nan 0.000 0.491 81 E N 0.853 121.228 120.200 0.291 0.000 2.502 81 E HA -0.030 4.320 4.350 -0.001 0.000 0.261 81 E C -1.170 175.580 176.600 0.250 0.000 0.974 81 E CA -0.057 56.480 56.400 0.229 0.000 0.936 81 E CB 0.333 30.129 29.700 0.159 0.000 0.926 81 E HN 0.493 nan 8.360 nan 0.000 0.459 82 F N 4.179 124.194 119.950 0.108 0.000 2.334 82 F HA 0.351 4.878 4.527 -0.001 0.000 0.367 82 F C -1.310 174.544 175.800 0.090 0.000 1.115 82 F CA -0.884 57.160 58.000 0.074 0.000 1.116 82 F CB 0.350 39.367 39.000 0.029 0.000 1.230 82 F HN 0.393 nan 8.300 nan 0.000 0.484 83 L N 5.573 126.504 121.223 -0.486 0.000 2.400 83 L HA 0.356 4.696 4.340 -0.001 0.000 0.264 83 L C 1.326 177.783 176.870 -0.689 0.000 1.061 83 L CA -0.401 54.284 54.840 -0.259 0.000 0.799 83 L CB 1.027 42.993 42.059 -0.154 0.000 1.240 83 L HN 0.616 nan 8.230 nan 0.000 0.461 84 H N -0.662 118.135 119.070 -0.455 0.000 2.451 84 H HA 0.120 4.675 4.556 -0.001 0.000 0.294 84 H C -0.246 174.973 175.328 -0.182 0.000 1.028 84 H CA 0.370 56.257 56.048 -0.269 0.000 1.349 84 H CB 0.781 30.517 29.762 -0.044 0.000 1.444 84 H HN 0.577 nan 8.280 nan 0.000 0.538 85 Q N 1.258 121.026 119.800 -0.053 0.000 2.738 85 Q HA 0.195 4.534 4.340 -0.001 0.000 0.301 85 Q C -1.939 174.014 176.000 -0.078 0.000 0.901 85 Q CA -1.017 54.759 55.803 -0.044 0.000 0.756 85 Q CB 1.707 30.475 28.738 0.051 0.000 1.463 85 Q HN 0.075 nan 8.270 nan 0.000 0.432 86 D N 0.083 120.456 120.400 -0.044 0.000 2.332 86 D HA 0.207 4.846 4.640 -0.001 0.000 0.252 86 D C 0.585 176.886 176.300 0.003 0.000 1.050 86 D CA -0.855 53.109 54.000 -0.060 0.000 0.970 86 D CB 1.164 41.924 40.800 -0.067 0.000 1.141 86 D HN 0.557 nan 8.370 nan 0.000 0.485 87 L N 0.409 121.617 121.223 -0.024 0.000 2.265 87 L HA -0.077 4.262 4.340 -0.001 0.000 0.215 87 L C 2.025 178.972 176.870 0.128 0.000 1.117 87 L CA 1.716 56.597 54.840 0.070 0.000 0.782 87 L CB -0.578 41.479 42.059 -0.004 0.000 0.914 87 L HN 0.622 nan 8.230 nan 0.000 0.441 88 K N -0.789 119.650 120.400 0.066 0.000 2.155 88 K HA -0.157 4.162 4.320 -0.001 0.000 0.203 88 K C 2.190 178.837 176.600 0.079 0.000 1.052 88 K CA 1.073 57.403 56.287 0.072 0.000 0.948 88 K CB -0.109 32.419 32.500 0.047 0.000 0.728 88 K HN 0.041 nan 8.250 nan 0.000 0.448 89 K N -0.021 120.429 120.400 0.085 0.000 2.062 89 K HA -0.100 4.220 4.320 -0.001 0.000 0.205 89 K C 1.951 178.628 176.600 0.129 0.000 1.051 89 K CA 1.145 57.485 56.287 0.088 0.000 0.941 89 K CB -0.335 32.215 32.500 0.083 0.000 0.719 89 K HN 0.225 nan 8.250 nan 0.000 0.440 90 F N 1.463 121.430 119.950 0.028 0.000 2.113 90 F HA -0.122 4.404 4.527 -0.001 0.000 0.297 90 F C 2.200 178.034 175.800 0.056 0.000 1.103 90 F CA 1.423 59.452 58.000 0.050 0.000 1.248 90 F CB -0.252 38.788 39.000 0.066 0.000 0.999 90 F HN -0.081 nan 8.300 nan 0.000 0.475 91 M N 0.021 119.633 119.600 0.019 0.000 2.202 91 M HA -0.220 4.260 4.480 -0.001 0.000 0.262 91 M C 1.505 177.750 176.300 -0.091 0.000 1.063 91 M CA 1.697 56.950 55.300 -0.078 0.000 1.097 91 M CB -0.547 32.081 32.600 0.048 0.000 1.382 91 M HN 0.074 nan 8.290 nan 0.000 0.413 92 D N 0.424 120.803 120.400 -0.035 0.000 2.183 92 D HA -0.030 4.609 4.640 -0.001 0.000 0.203 92 D C 1.983 178.247 176.300 -0.060 0.000 0.969 92 D CA 1.310 55.292 54.000 -0.029 0.000 0.842 92 D CB -0.158 40.646 40.800 0.007 0.000 0.957 92 D HN 0.314 nan 8.370 nan 0.000 0.484 93 A N 0.667 123.435 122.820 -0.088 0.000 1.933 93 A HA -0.120 4.200 4.320 -0.001 0.000 0.218 93 A C 2.097 179.584 177.584 -0.162 0.000 1.175 93 A CA 1.931 53.907 52.037 -0.101 0.000 0.628 93 A CB -0.237 18.717 19.000 -0.078 0.000 0.814 93 A HN 0.286 nan 8.150 nan 0.000 0.444 94 S N -1.178 114.358 115.700 -0.274 0.000 2.554 94 S HA 0.508 4.977 4.470 -0.001 0.000 0.226 94 S C 1.645 176.150 174.600 -0.158 0.000 0.980 94 S CA 0.584 58.632 58.200 -0.253 0.000 0.939 94 S CB 0.141 63.090 63.200 -0.420 0.000 0.832 94 S HN 0.795 nan 8.310 nan 0.000 0.486 95 A N 1.915 124.662 122.820 -0.121 0.000 2.009 95 A HA -0.123 4.196 4.320 -0.001 0.000 0.222 95 A C 2.000 179.546 177.584 -0.064 0.000 1.175 95 A CA 1.839 53.830 52.037 -0.077 0.000 0.651 95 A CB -0.596 18.372 19.000 -0.052 0.000 0.815 95 A HN 0.567 nan 8.150 nan 0.000 0.459 96 L N -1.437 119.750 121.223 -0.061 0.000 2.470 96 L HA 0.037 4.376 4.340 -0.001 0.000 0.219 96 L C 2.359 179.200 176.870 -0.049 0.000 1.071 96 L CA 1.421 56.232 54.840 -0.049 0.000 0.850 96 L CB 0.176 42.212 42.059 -0.038 0.000 1.040 96 L HN 0.469 nan 8.230 nan 0.000 0.475 97 T N -1.999 112.521 114.554 -0.058 0.000 3.088 97 T HA 0.372 4.721 4.350 -0.001 0.000 0.259 97 T C 1.019 175.688 174.700 -0.051 0.000 1.122 97 T CA 0.283 62.352 62.100 -0.051 0.000 1.095 97 T CB -0.416 68.422 68.868 -0.050 0.000 0.930 97 T HN 0.466 nan 8.240 nan 0.000 0.508 98 G N 1.284 110.047 108.800 -0.060 0.000 2.785 98 G HA2 -0.120 3.839 3.960 -0.001 0.000 0.685 98 G HA3 -0.120 3.839 3.960 -0.001 0.000 0.685 98 G C -0.654 174.215 174.900 -0.052 0.000 1.480 98 G CA -0.756 44.315 45.100 -0.049 0.000 0.915 98 G HN 0.570 nan 8.290 nan 0.000 0.576 99 I N 3.320 123.876 120.570 -0.024 0.000 2.315 99 I HA 0.285 4.454 4.170 -0.001 0.000 0.291 99 I C -1.406 174.736 176.117 0.041 0.000 1.006 99 I CA -1.955 59.362 61.300 0.028 0.000 1.265 99 I CB 1.676 39.736 38.000 0.100 0.000 1.387 99 I HN 0.357 nan 8.210 nan 0.000 0.475 100 P HA 0.019 nan 4.420 nan 0.000 0.265 100 P C 0.891 178.205 177.300 0.024 0.000 1.193 100 P CA -0.116 62.993 63.100 0.015 0.000 0.765 100 P CB 1.264 32.964 31.700 0.000 0.000 0.823 101 L N 4.957 126.200 121.223 0.033 0.000 1.991 101 L HA -0.188 4.151 4.340 -0.001 0.000 0.221 101 L C -0.432 176.454 176.870 0.027 0.000 1.079 101 L CA 2.528 57.405 54.840 0.062 0.000 0.778 101 L CB -1.537 40.558 42.059 0.059 0.000 0.893 101 L HN 0.448 nan 8.230 nan 0.000 0.437 102 P HA -0.195 nan 4.420 nan 0.000 0.220 102 P C 1.709 178.954 177.300 -0.092 0.000 1.148 102 P CA 1.317 64.375 63.100 -0.070 0.000 0.803 102 P CB 0.007 31.666 31.700 -0.069 0.000 0.782 103 L N -0.724 120.434 121.223 -0.109 0.000 2.179 103 L HA 0.014 4.353 4.340 -0.001 0.000 0.208 103 L C 2.513 179.213 176.870 -0.283 0.000 1.096 103 L CA 1.180 55.866 54.840 -0.257 0.000 0.779 103 L CB -0.812 41.085 42.059 -0.270 0.000 0.922 103 L HN -0.234 nan 8.230 nan 0.000 0.443 104 I N -0.205 120.331 120.570 -0.057 0.000 2.127 104 I HA -0.344 3.825 4.170 -0.001 0.000 0.241 104 I C 2.494 178.694 176.117 0.139 0.000 1.075 104 I CA 1.738 63.098 61.300 0.100 0.000 1.334 104 I CB -0.505 37.634 38.000 0.232 0.000 1.040 104 I HN 0.294 nan 8.210 nan 0.000 0.405 105 K N 0.574 121.040 120.400 0.110 0.000 2.152 105 K HA -0.216 4.103 4.320 -0.001 0.000 0.206 105 K C 2.300 179.002 176.600 0.170 0.000 1.048 105 K CA 1.787 58.129 56.287 0.091 0.000 0.933 105 K CB -0.043 32.325 32.500 -0.219 0.000 0.721 105 K HN 0.153 nan 8.250 nan 0.000 0.447 106 S N -0.730 115.004 115.700 0.056 0.000 2.362 106 S HA -0.081 4.388 4.470 -0.001 0.000 0.221 106 S C 1.778 176.527 174.600 0.248 0.000 1.032 106 S CA 0.481 58.731 58.200 0.084 0.000 0.973 106 S CB -0.332 62.840 63.200 -0.045 0.000 0.849 106 S HN 0.383 nan 8.310 nan 0.000 0.465 107 Y N 1.445 121.793 120.300 0.080 0.000 2.181 107 Y HA -0.020 4.529 4.550 -0.001 0.000 0.288 107 Y C 2.285 178.215 175.900 0.051 0.000 1.146 107 Y CA 0.456 58.581 58.100 0.042 0.000 1.164 107 Y CB -1.191 37.286 38.460 0.027 0.000 0.982 107 Y HN 0.282 nan 8.280 nan 0.000 0.515 108 L N -0.837 120.548 121.223 0.270 0.000 2.017 108 L HA -0.230 4.109 4.340 -0.001 0.000 0.208 108 L C 2.295 179.262 176.870 0.162 0.000 1.073 108 L CA 1.600 56.536 54.840 0.161 0.000 0.745 108 L CB -1.205 40.901 42.059 0.077 0.000 0.894 108 L HN 0.139 nan 8.230 nan 0.000 0.432 109 F N 0.153 120.118 119.950 0.025 0.000 2.126 109 F HA -0.265 4.261 4.527 -0.001 0.000 0.299 109 F C 2.453 178.145 175.800 -0.180 0.000 1.096 109 F CA 1.990 59.805 58.000 -0.307 0.000 1.255 109 F CB -0.298 38.473 39.000 -0.382 0.000 0.997 109 F HN 0.257 nan 8.300 nan 0.000 0.479 110 Q N 0.004 119.805 119.800 0.002 0.000 2.123 110 Q HA -0.135 4.205 4.340 -0.001 0.000 0.199 110 Q C 2.356 178.275 176.000 -0.135 0.000 0.966 110 Q CA 1.578 57.333 55.803 -0.081 0.000 0.845 110 Q CB -0.247 28.510 28.738 0.031 0.000 0.907 110 Q HN 0.462 nan 8.270 nan 0.000 0.439 111 L N 0.351 121.514 121.223 -0.100 0.000 1.994 111 L HA -0.234 4.105 4.340 -0.001 0.000 0.208 111 L C 2.360 179.127 176.870 -0.171 0.000 1.071 111 L CA 1.158 55.922 54.840 -0.127 0.000 0.745 111 L CB -0.553 41.449 42.059 -0.094 0.000 0.892 111 L HN 0.274 nan 8.230 nan 0.000 0.431 112 L N -0.668 120.447 121.223 -0.179 0.000 2.013 112 L HA -0.318 4.022 4.340 -0.001 0.000 0.212 112 L C 2.773 179.485 176.870 -0.265 0.000 1.073 112 L CA 1.523 56.245 54.840 -0.197 0.000 0.753 112 L CB -0.508 41.438 42.059 -0.188 0.000 0.890 112 L HN 0.373 nan 8.230 nan 0.000 0.432 113 Q N -0.611 118.967 119.800 -0.371 0.000 2.077 113 Q HA -0.215 4.125 4.340 -0.001 0.000 0.206 113 Q C 2.214 177.993 176.000 -0.367 0.000 0.989 113 Q CA 1.713 57.319 55.803 -0.328 0.000 0.853 113 Q CB -0.453 28.093 28.738 -0.320 0.000 0.907 113 Q HN 0.647 nan 8.270 nan 0.000 0.418 114 G N 0.608 109.200 108.800 -0.347 0.000 2.476 114 G HA2 -0.279 3.680 3.960 -0.001 0.000 0.218 114 G HA3 -0.279 3.680 3.960 -0.001 0.000 0.218 114 G C 1.301 176.034 174.900 -0.278 0.000 1.164 114 G CA 0.806 45.672 45.100 -0.390 0.000 0.768 114 G HN 0.229 nan 8.290 nan 0.000 0.560 115 L N 1.063 122.138 121.223 -0.247 0.000 2.072 115 L HA 0.231 4.570 4.340 -0.001 0.000 0.205 115 L C 3.244 179.922 176.870 -0.321 0.000 1.079 115 L CA 1.750 56.398 54.840 -0.321 0.000 0.752 115 L CB -0.635 41.223 42.059 -0.335 0.000 0.906 115 L HN 0.264 nan 8.230 nan 0.000 0.436 116 A N -1.025 121.680 122.820 -0.191 0.000 1.927 116 A HA -0.335 3.984 4.320 -0.001 0.000 0.220 116 A C 2.275 179.852 177.584 -0.011 0.000 1.185 116 A CA 2.338 54.338 52.037 -0.062 0.000 0.639 116 A CB -1.153 17.818 19.000 -0.048 0.000 0.820 116 A HN 0.475 nan 8.150 nan 0.000 0.451 117 F N -0.298 119.486 119.950 -0.278 0.000 2.128 117 F HA -0.159 4.368 4.527 -0.001 0.000 0.295 117 F C 2.634 178.287 175.800 -0.245 0.000 1.100 117 F CA 1.391 59.204 58.000 -0.313 0.000 1.260 117 F CB -0.600 38.066 39.000 -0.557 0.000 1.009 117 F HN 0.313 nan 8.300 nan 0.000 0.476 118 C N 0.060 119.374 119.300 0.023 0.000 2.393 118 C HA -0.261 4.198 4.460 -0.001 0.000 0.276 118 C C 2.754 177.889 174.990 0.241 0.000 1.215 118 C CA 1.530 60.617 59.018 0.115 0.000 1.743 118 C CB -1.453 26.388 27.740 0.169 0.000 2.044 118 C HN 0.493 nan 8.230 nan 0.000 0.464 119 H N -0.508 118.653 119.070 0.150 0.000 2.491 119 H HA -0.013 4.542 4.556 -0.001 0.000 0.290 119 H C 2.454 177.891 175.328 0.181 0.000 1.050 119 H CA 1.249 57.444 56.048 0.246 0.000 1.309 119 H CB -0.512 29.369 29.762 0.199 0.000 1.392 119 H HN 0.361 nan 8.280 nan 0.000 0.554 120 S N -0.318 115.496 115.700 0.190 0.000 2.522 120 S HA -0.056 4.413 4.470 -0.001 0.000 0.227 120 S C 0.537 175.209 174.600 0.119 0.000 0.986 120 S CA 0.401 58.679 58.200 0.129 0.000 0.929 120 S CB 0.022 63.260 63.200 0.062 0.000 0.769 120 S HN 0.485 nan 8.310 nan 0.000 0.529 121 H N 0.567 119.526 119.070 -0.185 0.000 2.475 121 H HA 0.278 4.834 4.556 -0.000 0.000 0.276 121 H C 0.268 175.457 175.328 -0.233 0.000 1.126 121 H CA -0.241 55.667 56.048 -0.234 0.000 1.023 121 H CB 0.123 29.721 29.762 -0.272 0.000 1.669 121 H HN 0.208 nan 8.280 nan 0.000 0.573 122 R N -1.419 118.940 120.500 -0.235 0.000 3.416 122 R HA -0.145 4.194 4.340 -0.001 0.000 0.263 122 R C -1.572 174.419 176.300 -0.515 0.000 1.053 122 R CA 0.494 56.037 56.100 -0.929 0.000 0.705 122 R CB -3.393 26.260 30.300 -1.078 0.000 1.124 122 R HN 0.097 nan 8.270 nan 0.000 0.444 123 V N 0.481 120.461 119.914 0.111 0.000 2.628 123 V HA 0.628 4.747 4.120 -0.001 0.000 0.306 123 V C 0.470 176.891 176.094 0.545 0.000 1.045 123 V CA -0.914 61.568 62.300 0.304 0.000 0.905 123 V CB 2.121 34.094 31.823 0.250 0.000 0.997 123 V HN 0.305 nan 8.190 nan 0.000 0.436 124 L N 3.197 124.679 121.223 0.432 0.000 2.356 124 L HA 0.488 4.827 4.340 -0.001 0.000 0.277 124 L C 1.029 178.060 176.870 0.269 0.000 0.996 124 L CA -0.656 54.407 54.840 0.371 0.000 0.822 124 L CB 1.805 44.002 42.059 0.229 0.000 1.256 124 L HN 0.792 nan 8.230 nan 0.000 0.413 125 H N 4.366 123.540 119.070 0.172 0.000 2.284 125 H HA 0.017 4.572 4.556 -0.001 0.000 0.304 125 H C 0.859 176.156 175.328 -0.052 0.000 1.069 125 H CA 1.922 57.943 56.048 -0.045 0.000 1.327 125 H CB 0.569 30.212 29.762 -0.198 0.000 1.387 125 H HN 0.644 nan 8.280 nan 0.000 0.498 126 R N -0.803 119.815 120.500 0.197 0.000 3.785 126 R HA -0.179 4.161 4.340 -0.001 0.000 0.476 126 R C -0.450 175.924 176.300 0.124 0.000 0.905 126 R CA 1.287 57.453 56.100 0.111 0.000 1.412 126 R CB -1.544 28.785 30.300 0.048 0.000 2.077 126 R HN 0.342 nan 8.270 nan 0.000 0.504 127 D N 0.334 120.908 120.400 0.288 0.000 2.952 127 D HA 0.244 4.883 4.640 -0.001 0.000 0.373 127 D C -1.009 175.362 176.300 0.118 0.000 1.360 127 D CA -0.265 53.839 54.000 0.173 0.000 0.788 127 D CB 0.364 41.199 40.800 0.059 0.000 1.192 127 D HN 0.012 nan 8.370 nan 0.000 0.462 128 L N 2.197 123.387 121.223 -0.056 0.000 2.515 128 L HA 0.214 4.553 4.340 -0.001 0.000 0.281 128 L C 0.761 177.409 176.870 -0.369 0.000 1.131 128 L CA 0.600 55.241 54.840 -0.332 0.000 0.905 128 L CB -0.056 41.819 42.059 -0.307 0.000 1.246 128 L HN 0.093 nan 8.230 nan 0.000 0.463 129 K N 2.654 122.815 120.400 -0.399 0.000 2.409 129 K HA 0.632 4.951 4.320 -0.001 0.000 0.252 129 K C -2.600 173.769 176.600 -0.386 0.000 1.036 129 K CA -1.854 54.056 56.287 -0.628 0.000 0.871 129 K CB 1.268 33.518 32.500 -0.416 0.000 1.374 129 K HN -0.147 nan 8.250 nan 0.000 0.459 130 P HA -0.190 nan 4.420 nan 0.000 0.217 130 P C 0.874 178.110 177.300 -0.105 0.000 1.150 130 P CA 1.239 64.257 63.100 -0.137 0.000 0.832 130 P CB 0.108 31.797 31.700 -0.018 0.000 0.787 131 Q N -1.186 118.562 119.800 -0.086 0.000 2.541 131 Q HA -0.047 4.292 4.340 -0.001 0.000 0.215 131 Q C 0.538 176.478 176.000 -0.101 0.000 0.977 131 Q CA 1.069 56.829 55.803 -0.072 0.000 0.934 131 Q CB -1.016 27.692 28.738 -0.049 0.000 0.988 131 Q HN 0.293 nan 8.270 nan 0.000 0.521 132 N N 0.407 119.027 118.700 -0.134 0.000 2.270 132 N HA 0.236 4.975 4.740 -0.001 0.000 0.198 132 N C -0.433 174.969 175.510 -0.180 0.000 1.117 132 N CA 0.133 53.096 53.050 -0.145 0.000 0.845 132 N CB 0.582 38.986 38.487 -0.138 0.000 0.980 132 N HN 0.229 nan 8.380 nan 0.000 0.486 133 L N 0.984 122.100 121.223 -0.179 0.000 2.322 133 L HA 0.521 4.860 4.340 -0.001 0.000 0.281 133 L C -0.470 176.284 176.870 -0.193 0.000 1.014 133 L CA -0.641 54.080 54.840 -0.198 0.000 0.815 133 L CB 1.794 43.725 42.059 -0.212 0.000 1.247 133 L HN -0.256 nan 8.230 nan 0.000 0.421 134 L N 4.611 125.709 121.223 -0.207 0.000 2.346 134 L HA 0.674 5.014 4.340 -0.001 0.000 0.274 134 L C -0.580 176.129 176.870 -0.268 0.000 1.007 134 L CA -0.745 53.967 54.840 -0.214 0.000 0.818 134 L CB 2.157 44.102 42.059 -0.190 0.000 1.284 134 L HN 0.514 nan 8.230 nan 0.000 0.424 135 I N -0.619 119.785 120.570 -0.276 0.000 2.582 135 I HA 0.614 4.783 4.170 -0.001 0.000 0.292 135 I C -0.596 175.367 176.117 -0.256 0.000 1.066 135 I CA -0.555 60.549 61.300 -0.327 0.000 1.053 135 I CB 1.813 39.537 38.000 -0.461 0.000 1.241 135 I HN 0.578 nan 8.210 nan 0.000 0.421 136 N N 2.227 120.758 118.700 -0.281 0.000 2.643 136 N HA 0.423 5.163 4.740 -0.001 0.000 0.305 136 N C 0.750 175.975 175.510 -0.474 0.000 1.283 136 N CA -0.039 52.723 53.050 -0.480 0.000 0.946 136 N CB 0.001 38.259 38.487 -0.381 0.000 1.149 136 N HN 0.750 nan 8.380 nan 0.000 0.600 137 T N -3.412 110.752 114.554 -0.650 0.000 3.054 137 T HA 0.027 4.377 4.350 -0.001 0.000 0.259 137 T C 0.782 175.376 174.700 -0.175 0.000 1.092 137 T CA 0.569 62.476 62.100 -0.320 0.000 1.121 137 T CB -0.481 68.258 68.868 -0.214 0.000 0.912 137 T HN 0.653 nan 8.240 nan 0.000 0.489 138 E N 1.539 121.637 120.200 -0.170 0.000 2.511 138 E HA 0.321 4.670 4.350 -0.001 0.000 0.196 138 E C 1.548 178.113 176.600 -0.059 0.000 1.066 138 E CA 0.238 56.584 56.400 -0.091 0.000 0.871 138 E CB -0.331 29.325 29.700 -0.073 0.000 0.863 138 E HN 0.649 nan 8.360 nan 0.000 0.520 139 G N 0.844 109.612 108.800 -0.053 0.000 2.168 139 G HA2 -0.199 3.760 3.960 -0.001 0.000 0.197 139 G HA3 -0.199 3.760 3.960 -0.001 0.000 0.197 139 G C 0.263 175.236 174.900 0.120 0.000 0.997 139 G CA -0.183 44.937 45.100 0.032 0.000 0.658 139 G HN 0.526 nan 8.290 nan 0.000 0.513 140 A N -0.376 122.448 122.820 0.006 0.000 2.286 140 A HA 0.892 5.211 4.320 -0.001 0.000 0.286 140 A C -0.061 177.427 177.584 -0.162 0.000 1.097 140 A CA -0.040 51.980 52.037 -0.029 0.000 0.821 140 A CB 1.117 20.078 19.000 -0.065 0.000 1.076 140 A HN 1.335 nan 8.150 nan 0.000 0.490 141 I N -0.216 120.237 120.570 -0.195 0.000 2.769 141 I HA 0.565 4.735 4.170 -0.001 0.000 0.298 141 I C -1.131 174.875 176.117 -0.186 0.000 1.128 141 I CA -0.611 60.491 61.300 -0.330 0.000 1.031 141 I CB 1.959 39.606 38.000 -0.589 0.000 1.235 141 I HN 0.700 nan 8.210 nan 0.000 0.423 142 K N 7.275 127.566 120.400 -0.181 0.000 2.513 142 K HA 0.513 4.832 4.320 -0.001 0.000 0.251 142 K C -1.413 175.126 176.600 -0.102 0.000 0.939 142 K CA -0.700 55.526 56.287 -0.101 0.000 0.793 142 K CB 2.291 34.752 32.500 -0.067 0.000 1.241 142 K HN 0.462 nan 8.250 nan 0.000 0.431 143 L N 1.762 122.952 121.223 -0.054 0.000 2.456 143 L HA 0.550 4.889 4.340 -0.001 0.000 0.272 143 L C 0.280 177.202 176.870 0.086 0.000 1.189 143 L CA -0.163 54.639 54.840 -0.063 0.000 0.846 143 L CB 0.293 42.318 42.059 -0.057 0.000 1.111 143 L HN 0.716 nan 8.230 nan 0.000 0.475 144 A N 1.361 124.184 122.820 0.005 0.000 2.552 144 A HA 0.555 4.874 4.320 -0.001 0.000 0.288 144 A C -0.758 176.853 177.584 0.045 0.000 1.193 144 A CA -0.475 51.594 52.037 0.055 0.000 0.713 144 A CB 1.180 20.109 19.000 -0.118 0.000 1.305 144 A HN 0.756 nan 8.150 nan 0.000 0.424 145 D N -1.423 118.982 120.400 0.010 0.000 4.075 145 D HA -0.149 4.490 4.640 -0.001 0.000 0.228 145 D C -0.741 175.493 176.300 -0.110 0.000 1.057 145 D CA 0.833 54.828 54.000 -0.009 0.000 1.199 145 D CB -0.699 40.067 40.800 -0.055 0.000 0.777 145 D HN 0.445 nan 8.370 nan 0.000 0.388 146 F N 0.641 120.543 119.950 -0.080 0.000 2.639 146 F HA 0.301 4.828 4.527 -0.001 0.000 0.302 146 F C 2.246 177.969 175.800 -0.127 0.000 1.097 146 F CA 0.209 58.107 58.000 -0.170 0.000 1.294 146 F CB 0.618 39.590 39.000 -0.046 0.000 1.027 146 F HN 0.406 nan 8.300 nan 0.000 0.550 147 G N 0.236 109.052 108.800 0.027 0.000 2.485 147 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.221 147 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.221 147 G C 1.411 176.295 174.900 -0.026 0.000 1.115 147 G CA 0.839 45.944 45.100 0.007 0.000 0.751 147 G HN 0.399 nan 8.290 nan 0.000 0.567 148 L N 0.338 121.508 121.223 -0.089 0.000 2.769 148 L HA 0.454 4.794 4.340 -0.001 0.000 0.240 148 L C 1.488 178.305 176.870 -0.088 0.000 1.163 148 L CA -0.511 54.285 54.840 -0.073 0.000 0.962 148 L CB 0.328 42.349 42.059 -0.064 0.000 1.258 148 L HN 0.214 nan 8.230 nan 0.000 0.513 149 A N 1.321 124.078 122.820 -0.105 0.000 2.296 149 A HA 0.672 4.991 4.320 -0.001 0.000 0.264 149 A C 0.188 177.794 177.584 0.037 0.000 1.097 149 A CA -0.114 51.902 52.037 -0.034 0.000 0.811 149 A CB 0.493 19.555 19.000 0.104 0.000 1.072 149 A HN 0.460 nan 8.150 nan 0.000 0.495 150 R N -1.015 119.523 120.500 0.062 0.000 2.663 150 R HA 0.645 4.984 4.340 -0.001 0.000 0.267 150 R C -0.848 175.467 176.300 0.025 0.000 1.038 150 R CA -0.025 56.081 56.100 0.010 0.000 0.886 150 R CB 1.058 31.317 30.300 -0.069 0.000 1.249 150 R HN 1.162 nan 8.270 nan 0.000 0.463 151 A N 2.766 125.571 122.820 -0.024 0.000 2.409 151 A HA 0.513 4.832 4.320 -0.001 0.000 0.267 151 A C -0.470 177.063 177.584 -0.085 0.000 1.127 151 A CA -0.426 51.581 52.037 -0.051 0.000 0.795 151 A CB -0.377 18.584 19.000 -0.065 0.000 1.061 151 A HN 0.607 nan 8.150 nan 0.000 0.502 152 F N 1.401 121.273 119.950 -0.130 0.000 2.541 152 F HA 0.873 5.400 4.527 -0.000 0.000 0.331 152 F C 0.424 176.234 175.800 0.016 0.000 1.057 152 F CA -0.614 57.311 58.000 -0.126 0.000 0.975 152 F CB 1.180 40.122 39.000 -0.097 0.000 1.246 152 F HN 0.656 nan 8.300 nan 0.000 0.484 153 G N 0.239 109.249 108.800 0.351 0.000 2.597 153 G HA2 0.598 4.557 3.960 -0.001 0.000 0.317 153 G HA3 0.598 4.557 3.960 -0.001 0.000 0.317 153 G C -1.960 173.114 174.900 0.291 0.000 1.230 153 G CA -1.101 44.112 45.100 0.188 0.000 0.996 153 G HN 0.684 nan 8.290 nan 0.000 0.490 154 V N 2.560 122.560 119.914 0.144 0.000 2.376 154 V HA 0.375 4.494 4.120 -0.001 0.000 0.287 154 V C -1.394 174.735 176.094 0.058 0.000 1.015 154 V CA -0.932 61.444 62.300 0.128 0.000 0.834 154 V CB 1.112 32.991 31.823 0.093 0.000 1.001 154 V HN 0.812 nan 8.190 nan 0.000 0.428 155 P HA 0.410 nan 4.420 nan 0.000 0.277 155 P C -0.129 177.196 177.300 0.041 0.000 1.276 155 P CA -0.214 62.886 63.100 0.000 0.000 0.788 155 P CB 0.774 32.412 31.700 -0.103 0.000 1.114 156 V N -1.639 118.271 119.914 -0.008 0.000 3.336 156 V HA 0.520 4.639 4.120 -0.001 0.000 0.304 156 V C 0.597 176.657 176.094 -0.056 0.000 1.073 156 V CA -0.356 61.981 62.300 0.061 0.000 1.074 156 V CB 0.603 32.459 31.823 0.055 0.000 1.161 156 V HN 0.834 nan 8.190 nan 0.000 0.460 157 R N -0.886 119.423 120.500 -0.318 0.000 2.617 157 R HA 0.444 4.783 4.340 -0.001 0.000 0.432 157 R C -0.349 175.614 176.300 -0.562 0.000 1.018 157 R CA 0.322 56.286 56.100 -0.228 0.000 1.077 157 R CB -0.476 29.797 30.300 -0.045 0.000 1.394 157 R HN 0.974 nan 8.270 nan 0.000 0.608 158 T N 0.656 114.713 114.554 -0.829 0.000 2.058 158 T HA -0.168 4.181 4.350 -0.001 0.000 0.581 158 T C -1.129 173.236 174.700 -0.560 0.000 0.892 158 T CA 0.632 62.360 62.100 -0.619 0.000 3.090 158 T CB -1.056 67.591 68.868 -0.368 0.000 1.855 158 T HN 0.348 nan 8.240 nan 0.000 0.478 162 E N 2.194 122.572 120.200 0.297 0.000 1.774 162 E HA 0.359 4.708 4.350 -0.001 0.000 0.265 162 E C -1.217 175.448 176.600 0.107 0.000 1.207 162 E CA 0.119 56.641 56.400 0.204 0.000 1.054 162 E CB 0.995 30.778 29.700 0.138 0.000 1.074 162 E HN 0.147 nan 8.360 nan 0.000 0.433 163 V N 2.067 122.009 119.914 0.047 0.000 2.971 163 V HA 0.335 4.454 4.120 -0.001 0.000 0.309 163 V C -0.949 175.127 176.094 -0.031 0.000 1.130 163 V CA -1.018 61.274 62.300 -0.014 0.000 0.964 163 V CB 2.270 34.048 31.823 -0.074 0.000 1.029 163 V HN 0.336 nan 8.190 nan 0.000 0.427 164 V N 2.746 122.662 119.914 0.002 0.000 3.584 164 V HA -0.173 3.946 4.120 -0.001 0.000 0.512 164 V C 0.318 176.459 176.094 0.079 0.000 0.682 164 V CA 0.683 63.012 62.300 0.048 0.000 2.064 164 V CB -1.304 30.553 31.823 0.057 0.000 2.486 164 V HN 1.089 nan 8.190 nan 0.000 0.511 165 T N 6.044 120.666 114.554 0.113 0.000 2.933 165 T HA 0.130 4.479 4.350 -0.001 0.000 0.306 165 T C 1.144 175.929 174.700 0.141 0.000 1.045 165 T CA 0.521 62.685 62.100 0.108 0.000 1.143 165 T CB 0.612 69.568 68.868 0.146 0.000 1.003 165 T HN 0.889 nan 8.240 nan 0.000 0.540 166 L N 3.489 124.734 121.223 0.037 0.000 2.010 166 L HA -0.144 4.195 4.340 -0.001 0.000 0.219 166 L C 1.862 178.866 176.870 0.223 0.000 1.077 166 L CA 2.030 56.920 54.840 0.084 0.000 0.773 166 L CB -0.623 41.462 42.059 0.042 0.000 0.892 166 L HN 0.769 nan 8.230 nan 0.000 0.436 167 W N -1.262 119.989 121.300 -0.082 0.000 2.538 167 W HA -0.122 4.537 4.660 -0.001 0.000 0.254 167 W C 1.330 177.616 176.519 -0.389 0.000 1.249 167 W CA 0.517 57.667 57.345 -0.325 0.000 1.253 167 W CB -0.993 28.087 29.460 -0.634 0.000 1.130 167 W HN 0.312 nan 8.180 nan 0.000 0.618 168 Y N -0.878 119.653 120.300 0.385 0.000 2.706 168 Y HA 0.278 4.828 4.550 -0.001 0.000 0.255 168 Y C 0.943 177.076 175.900 0.388 0.000 1.163 168 Y CA -0.807 57.514 58.100 0.368 0.000 1.174 168 Y CB -0.256 38.349 38.460 0.242 0.000 1.200 168 Y HN -0.320 nan 8.280 nan 0.000 0.544 169 R N 1.740 122.458 120.500 0.362 0.000 2.254 169 R HA 0.686 5.025 4.340 -0.001 0.000 0.318 169 R C 0.027 176.237 176.300 -0.151 0.000 1.031 169 R CA -0.465 55.712 56.100 0.127 0.000 0.905 169 R CB 0.667 30.996 30.300 0.049 0.000 1.050 169 R HN 0.233 nan 8.270 nan 0.000 0.456 170 A N 6.404 128.970 122.820 -0.424 0.000 2.498 170 A HA 0.179 4.499 4.320 -0.001 0.000 0.239 170 A C -1.724 175.445 177.584 -0.692 0.000 1.068 170 A CA -1.197 50.203 52.037 -1.061 0.000 0.766 170 A CB 0.125 18.788 19.000 -0.562 0.000 1.003 170 A HN 0.720 nan 8.150 nan 0.000 0.497 171 P HA -0.274 nan 4.420 nan 0.000 0.215 171 P C 1.453 178.809 177.300 0.094 0.000 1.163 171 P CA 1.887 64.871 63.100 -0.194 0.000 0.894 171 P CB -0.025 31.701 31.700 0.044 0.000 0.791 172 E N -0.094 120.195 120.200 0.148 0.000 2.233 172 E HA -0.213 4.136 4.350 -0.001 0.000 0.199 172 E C 1.902 178.583 176.600 0.135 0.000 1.004 172 E CA 1.487 58.084 56.400 0.328 0.000 0.819 172 E CB -1.321 28.536 29.700 0.261 0.000 0.738 172 E HN 0.315 nan 8.360 nan 0.000 0.478 173 I N 0.708 121.252 120.570 -0.044 0.000 2.339 173 I HA -0.185 3.985 4.170 -0.001 0.000 0.245 173 I C 2.647 178.741 176.117 -0.038 0.000 1.096 173 I CA 0.518 61.724 61.300 -0.157 0.000 1.408 173 I CB -0.199 37.599 38.000 -0.337 0.000 1.092 173 I HN -0.017 nan 8.210 nan 0.000 0.423 174 L N 0.331 121.551 121.223 -0.005 0.000 2.012 174 L HA -0.226 4.113 4.340 -0.001 0.000 0.210 174 L C 2.262 179.211 176.870 0.131 0.000 1.073 174 L CA 1.486 56.358 54.840 0.054 0.000 0.748 174 L CB -0.618 41.433 42.059 -0.014 0.000 0.891 174 L HN 0.251 nan 8.230 nan 0.000 0.431 175 L N -0.152 121.174 121.223 0.171 0.000 2.610 175 L HA 0.074 4.413 4.340 -0.001 0.000 0.232 175 L C 1.294 178.277 176.870 0.188 0.000 1.149 175 L CA 0.513 55.480 54.840 0.211 0.000 0.872 175 L CB -0.679 41.517 42.059 0.228 0.000 0.992 175 L HN 0.569 nan 8.230 nan 0.000 0.447 176 G N -0.293 108.637 108.800 0.217 0.000 2.149 176 G HA2 -0.299 3.660 3.960 -0.001 0.000 0.235 176 G HA3 -0.299 3.660 3.960 -0.001 0.000 0.235 176 G C 0.384 175.408 174.900 0.207 0.000 1.018 176 G CA 0.038 45.323 45.100 0.307 0.000 0.728 176 G HN 0.346 nan 8.290 nan 0.000 0.508 177 C N -0.327 119.072 119.300 0.165 0.000 2.674 177 C HA 0.251 4.710 4.460 -0.001 0.000 0.405 177 C C 2.291 177.333 174.990 0.087 0.000 1.285 177 C CA 1.283 60.383 59.018 0.138 0.000 1.845 177 C CB 0.421 28.285 27.740 0.206 0.000 2.689 177 C HN 0.657 nan 8.230 nan 0.000 0.643 178 K N 1.512 121.882 120.400 -0.050 0.000 2.186 178 K HA 0.053 4.372 4.320 -0.001 0.000 0.202 178 K C -0.470 175.862 176.600 -0.447 0.000 1.052 178 K CA 1.061 57.171 56.287 -0.294 0.000 0.965 178 K CB 0.072 32.250 32.500 -0.538 0.000 0.746 178 K HN 0.733 nan 8.250 nan 0.000 0.457 179 Y N 0.014 120.312 120.300 -0.002 0.000 2.393 179 Y HA 0.292 4.841 4.550 -0.001 0.000 0.341 179 Y C -0.480 175.448 175.900 0.047 0.000 0.988 179 Y CA -1.256 56.792 58.100 -0.087 0.000 1.078 179 Y CB 1.354 39.775 38.460 -0.064 0.000 1.203 179 Y HN -0.006 nan 8.280 nan 0.000 0.453 180 Y N -0.905 119.476 120.300 0.135 0.000 2.638 180 Y HA 0.828 5.378 4.550 -0.001 0.000 0.335 180 Y C -0.720 175.205 175.900 0.041 0.000 1.155 180 Y CA -1.224 56.919 58.100 0.070 0.000 1.046 180 Y CB 1.588 40.065 38.460 0.028 0.000 1.303 180 Y HN 0.557 nan 8.280 nan 0.000 0.460 181 S N -0.851 114.980 115.700 0.218 0.000 3.211 181 S HA 0.280 4.750 4.470 -0.001 0.000 0.320 181 S C 0.707 175.223 174.600 -0.141 0.000 1.225 181 S CA -0.021 58.124 58.200 -0.092 0.000 1.044 181 S CB 0.473 63.554 63.200 -0.198 0.000 1.410 181 S HN 1.325 nan 8.310 nan 0.000 0.640 182 T N 0.652 114.957 114.554 -0.415 0.000 2.929 182 T HA 0.063 4.412 4.350 -0.001 0.000 0.271 182 T C 1.694 176.308 174.700 -0.144 0.000 1.085 182 T CA 1.503 63.282 62.100 -0.535 0.000 1.125 182 T CB -0.823 67.594 68.868 -0.751 0.000 0.874 182 T HN 0.882 nan 8.240 nan 0.000 0.494 183 A N 1.449 124.240 122.820 -0.048 0.000 2.172 183 A HA 0.182 4.501 4.320 -0.001 0.000 0.216 183 A C 2.546 180.199 177.584 0.116 0.000 1.154 183 A CA 1.218 53.287 52.037 0.053 0.000 0.701 183 A CB -0.869 18.149 19.000 0.029 0.000 0.789 183 A HN 0.794 nan 8.150 nan 0.000 0.465 184 V N -3.074 116.898 119.914 0.097 0.000 2.788 184 V HA -0.067 4.052 4.120 -0.001 0.000 0.251 184 V C 1.573 177.787 176.094 0.201 0.000 1.068 184 V CA 1.893 64.261 62.300 0.113 0.000 1.090 184 V CB -0.472 31.343 31.823 -0.015 0.000 0.710 184 V HN 0.324 nan 8.190 nan 0.000 0.467 185 D N 0.892 121.425 120.400 0.221 0.000 2.120 185 D HA -0.018 4.622 4.640 -0.001 0.000 0.202 185 D C 2.369 178.795 176.300 0.210 0.000 0.972 185 D CA 1.528 55.667 54.000 0.233 0.000 0.837 185 D CB -0.139 40.841 40.800 0.299 0.000 0.989 185 D HN 0.351 nan 8.370 nan 0.000 0.469 186 I N 1.095 121.805 120.570 0.233 0.000 2.161 186 I HA -0.320 3.850 4.170 -0.001 0.000 0.246 186 I C 2.380 178.623 176.117 0.210 0.000 1.048 186 I CA 1.352 62.766 61.300 0.190 0.000 1.314 186 I CB -1.016 37.101 38.000 0.195 0.000 1.014 186 I HN 0.352 nan 8.210 nan 0.000 0.418 187 W N 1.920 123.274 121.300 0.089 0.000 2.381 187 W HA -0.154 4.505 4.660 -0.001 0.000 0.301 187 W C 2.530 179.132 176.519 0.138 0.000 1.205 187 W CA 1.677 59.082 57.345 0.100 0.000 1.285 187 W CB -0.389 29.116 29.460 0.075 0.000 1.133 187 W HN 0.096 nan 8.180 nan 0.000 0.521 188 S N 1.333 117.243 115.700 0.351 0.000 2.447 188 S HA -0.122 4.347 4.470 -0.001 0.000 0.233 188 S C 1.936 176.602 174.600 0.110 0.000 1.006 188 S CA 0.997 59.356 58.200 0.264 0.000 0.957 188 S CB -0.331 62.988 63.200 0.197 0.000 0.773 188 S HN 0.232 nan 8.310 nan 0.000 0.507 189 L N 1.044 122.313 121.223 0.076 0.000 2.007 189 L HA -0.039 4.300 4.340 -0.001 0.000 0.205 189 L C 2.807 179.723 176.870 0.076 0.000 1.073 189 L CA 1.161 56.030 54.840 0.047 0.000 0.744 189 L CB -1.427 40.652 42.059 0.033 0.000 0.898 189 L HN 0.424 nan 8.230 nan 0.000 0.435 190 G N -0.110 108.709 108.800 0.031 0.000 2.816 190 G HA2 -0.413 3.547 3.960 -0.001 0.000 0.229 190 G HA3 -0.413 3.547 3.960 -0.001 0.000 0.229 190 G C 1.548 176.394 174.900 -0.089 0.000 1.158 190 G CA 1.573 46.643 45.100 -0.051 0.000 0.761 190 G HN 0.482 nan 8.290 nan 0.000 0.636 191 C N 0.201 119.438 119.300 -0.104 0.000 2.462 191 C HA 0.119 4.578 4.460 -0.001 0.000 0.278 191 C C 2.887 177.917 174.990 0.068 0.000 1.253 191 C CA 0.702 59.687 59.018 -0.056 0.000 1.713 191 C CB -1.077 26.774 27.740 0.185 0.000 2.049 191 C HN 0.494 nan 8.230 nan 0.000 0.477 192 I N 0.391 121.053 120.570 0.153 0.000 2.286 192 I HA -0.175 3.994 4.170 -0.001 0.000 0.248 192 I C 2.520 178.742 176.117 0.175 0.000 1.115 192 I CA 1.372 62.757 61.300 0.141 0.000 1.392 192 I CB -0.729 37.289 38.000 0.032 0.000 1.065 192 I HN 0.262 nan 8.210 nan 0.000 0.418 193 F N 2.641 122.581 119.950 -0.017 0.000 2.043 193 F HA -0.323 4.204 4.527 -0.001 0.000 0.297 193 F C 2.542 178.304 175.800 -0.062 0.000 1.118 193 F CA 1.675 59.661 58.000 -0.023 0.000 1.202 193 F CB -0.952 38.009 39.000 -0.064 0.000 0.965 193 F HN 0.050 nan 8.300 nan 0.000 0.482 194 A N -0.067 122.662 122.820 -0.151 0.000 1.902 194 A HA -0.204 4.116 4.320 -0.001 0.000 0.217 194 A C 2.253 179.717 177.584 -0.200 0.000 1.181 194 A CA 1.599 53.418 52.037 -0.363 0.000 0.623 194 A CB -1.017 17.708 19.000 -0.458 0.000 0.818 194 A HN 0.548 nan 8.150 nan 0.000 0.443 195 E N -0.827 119.319 120.200 -0.091 0.000 2.160 195 E HA -0.201 4.148 4.350 -0.001 0.000 0.195 195 E C 2.027 178.642 176.600 0.025 0.000 0.991 195 E CA 1.324 57.709 56.400 -0.025 0.000 0.810 195 E CB -0.187 29.559 29.700 0.076 0.000 0.742 195 E HN 0.697 nan 8.360 nan 0.000 0.466 196 M N -0.333 119.321 119.600 0.090 0.000 2.098 196 M HA -0.155 4.324 4.480 -0.001 0.000 0.262 196 M C 2.418 178.761 176.300 0.072 0.000 1.072 196 M CA 0.922 56.302 55.300 0.134 0.000 1.133 196 M CB -0.193 32.552 32.600 0.242 0.000 1.344 196 M HN -0.005 nan 8.290 nan 0.000 0.414 197 V N 0.490 120.425 119.914 0.035 0.000 2.250 197 V HA -0.313 3.806 4.120 -0.001 0.000 0.250 197 V C 2.482 178.536 176.094 -0.067 0.000 1.060 197 V CA 2.582 64.862 62.300 -0.033 0.000 1.030 197 V CB -1.293 30.439 31.823 -0.152 0.000 0.643 197 V HN 0.699 nan 8.190 nan 0.000 0.445 198 T N -4.182 110.309 114.554 -0.104 0.000 3.001 198 T HA 0.141 4.490 4.350 -0.001 0.000 0.251 198 T C 1.172 175.818 174.700 -0.090 0.000 1.040 198 T CA 0.383 62.414 62.100 -0.115 0.000 0.985 198 T CB 0.072 68.839 68.868 -0.168 0.000 1.011 198 T HN 0.418 nan 8.240 nan 0.000 0.509 199 R N 0.738 121.199 120.500 -0.065 0.000 4.016 199 R HA -0.142 4.197 4.340 -0.001 0.000 0.385 199 R C -0.042 176.224 176.300 -0.057 0.000 1.158 199 R CA 1.395 57.467 56.100 -0.046 0.000 1.117 199 R CB -1.414 28.857 30.300 -0.048 0.000 1.635 199 R HN 0.659 nan 8.270 nan 0.000 0.560 200 R N 0.291 120.733 120.500 -0.096 0.000 2.787 200 R HA 0.770 5.109 4.340 -0.001 0.000 0.271 200 R C -0.296 175.906 176.300 -0.164 0.000 0.993 200 R CA -0.225 55.803 56.100 -0.119 0.000 0.993 200 R CB 1.310 31.522 30.300 -0.147 0.000 1.155 200 R HN 0.032 nan 8.270 nan 0.000 0.486 201 A N 2.135 124.836 122.820 -0.197 0.000 2.477 201 A HA 0.110 4.429 4.320 -0.001 0.000 0.246 201 A C 1.158 178.485 177.584 -0.429 0.000 1.078 201 A CA -0.580 51.296 52.037 -0.268 0.000 0.770 201 A CB 0.235 18.998 19.000 -0.396 0.000 1.011 201 A HN 0.760 nan 8.150 nan 0.000 0.494 202 L N 1.742 122.661 121.223 -0.507 0.000 1.990 202 L HA -0.060 4.280 4.340 -0.001 0.000 0.213 202 L C 0.186 176.513 176.870 -0.905 0.000 1.072 202 L CA 2.143 56.480 54.840 -0.837 0.000 0.755 202 L CB -0.398 40.969 42.059 -1.154 0.000 0.889 202 L HN 0.653 nan 8.230 nan 0.000 0.432 203 F N -0.091 119.613 119.950 -0.410 0.000 2.769 203 F HA 0.364 4.890 4.527 -0.001 0.000 0.358 203 F C -2.061 173.311 175.800 -0.713 0.000 1.285 203 F CA -2.574 55.183 58.000 -0.404 0.000 1.199 203 F CB 0.340 39.215 39.000 -0.209 0.000 1.558 203 F HN 0.006 nan 8.300 nan 0.000 0.583 204 P HA 0.164 nan 4.420 nan 0.000 0.214 204 P C 0.738 177.677 177.300 -0.602 0.000 1.807 204 P CA 0.201 62.325 63.100 -1.626 0.000 0.921 204 P CB 0.274 31.160 31.700 -1.356 0.000 1.835 205 G N 1.735 110.398 108.800 -0.228 0.000 2.699 205 G HA2 0.059 4.018 3.960 -0.001 0.000 0.246 205 G HA3 0.059 4.018 3.960 -0.001 0.000 0.246 205 G C 0.407 175.458 174.900 0.251 0.000 1.219 205 G CA -0.189 44.934 45.100 0.038 0.000 0.866 205 G HN 0.309 nan 8.290 nan 0.000 0.572 206 D N -2.959 117.517 120.400 0.128 0.000 2.500 206 D HA 0.201 4.841 4.640 -0.001 0.000 0.217 206 D C 0.744 177.075 176.300 0.051 0.000 1.159 206 D CA 0.461 54.535 54.000 0.123 0.000 0.828 206 D CB 0.500 41.353 40.800 0.088 0.000 1.039 206 D HN 0.544 nan 8.370 nan 0.000 0.512 207 S N -1.476 114.234 115.700 0.015 0.000 2.643 207 S HA 0.310 4.779 4.470 -0.001 0.000 0.270 207 S C 0.456 175.025 174.600 -0.052 0.000 1.166 207 S CA -0.869 57.317 58.200 -0.023 0.000 0.815 207 S CB 1.414 64.583 63.200 -0.052 0.000 1.139 207 S HN -0.112 nan 8.310 nan 0.000 0.472 208 E N -0.080 120.083 120.200 -0.061 0.000 2.085 208 E HA -0.139 4.210 4.350 -0.001 0.000 0.194 208 E C 1.512 178.004 176.600 -0.179 0.000 0.994 208 E CA 1.544 57.896 56.400 -0.079 0.000 0.801 208 E CB -0.280 29.393 29.700 -0.046 0.000 0.743 208 E HN 0.565 nan 8.360 nan 0.000 0.453 209 I N 1.162 121.581 120.570 -0.251 0.000 2.277 209 I HA -0.214 3.955 4.170 -0.001 0.000 0.243 209 I C 2.003 177.749 176.117 -0.618 0.000 1.094 209 I CA 1.314 62.320 61.300 -0.489 0.000 1.393 209 I CB -0.031 37.663 38.000 -0.509 0.000 1.078 209 I HN -0.024 nan 8.210 nan 0.000 0.417 210 D N -0.281 119.885 120.400 -0.391 0.000 2.170 210 D HA -0.335 4.304 4.640 -0.001 0.000 0.193 210 D C 2.139 178.329 176.300 -0.183 0.000 1.004 210 D CA 1.665 55.524 54.000 -0.236 0.000 0.860 210 D CB -0.060 40.676 40.800 -0.107 0.000 0.931 210 D HN 0.291 nan 8.370 nan 0.000 0.448 211 Q N -0.235 119.464 119.800 -0.168 0.000 2.084 211 Q HA -0.065 4.275 4.340 -0.001 0.000 0.202 211 Q C 2.229 178.072 176.000 -0.263 0.000 0.978 211 Q CA 1.209 56.926 55.803 -0.143 0.000 0.844 211 Q CB -0.364 28.337 28.738 -0.062 0.000 0.898 211 Q HN 0.438 nan 8.270 nan 0.000 0.426 212 L N -0.842 120.160 121.223 -0.368 0.000 2.017 212 L HA -0.161 4.178 4.340 -0.001 0.000 0.208 212 L C 2.076 178.552 176.870 -0.656 0.000 1.073 212 L CA 1.006 55.477 54.840 -0.614 0.000 0.745 212 L CB -0.497 41.103 42.059 -0.765 0.000 0.894 212 L HN 0.272 nan 8.230 nan 0.000 0.432 213 F N 0.383 119.973 119.950 -0.600 0.000 2.171 213 F HA -0.168 4.358 4.527 -0.001 0.000 0.300 213 F C 2.696 178.287 175.800 -0.349 0.000 1.090 213 F CA 1.065 58.857 58.000 -0.346 0.000 1.293 213 F CB -0.909 38.026 39.000 -0.109 0.000 1.013 213 F HN 0.003 nan 8.300 nan 0.000 0.486 214 R N -0.046 120.390 120.500 -0.107 0.000 2.120 214 R HA -0.113 4.226 4.340 -0.001 0.000 0.234 214 R C 2.200 178.412 176.300 -0.147 0.000 1.123 214 R CA 1.219 57.251 56.100 -0.113 0.000 0.975 214 R CB -0.305 29.971 30.300 -0.039 0.000 0.866 214 R HN 0.277 nan 8.270 nan 0.000 0.446 215 I N -0.576 119.788 120.570 -0.344 0.000 2.277 215 I HA -0.194 3.976 4.170 -0.001 0.000 0.243 215 I C 1.564 177.827 176.117 0.243 0.000 1.094 215 I CA 0.731 61.802 61.300 -0.381 0.000 1.393 215 I CB -0.262 37.503 38.000 -0.392 0.000 1.078 215 I HN 0.013 nan 8.210 nan 0.000 0.417 216 F N 1.738 121.740 119.950 0.087 0.000 2.091 216 F HA -0.188 4.338 4.527 -0.001 0.000 0.299 216 F C 2.695 178.496 175.800 0.000 0.000 1.103 216 F CA 1.306 59.423 58.000 0.195 0.000 1.228 216 F CB -1.254 37.929 39.000 0.306 0.000 0.984 216 F HN 0.006 nan 8.300 nan 0.000 0.477 217 R N -0.742 119.601 120.500 -0.261 0.000 2.159 217 R HA -0.127 4.212 4.340 -0.001 0.000 0.237 217 R C 1.874 178.084 176.300 -0.150 0.000 1.131 217 R CA 1.784 57.519 56.100 -0.609 0.000 0.982 217 R CB -0.603 29.238 30.300 -0.765 0.000 0.868 217 R HN 0.293 nan 8.270 nan 0.000 0.453 218 T N 0.043 114.625 114.554 0.048 0.000 3.033 218 T HA 0.144 4.494 4.350 -0.001 0.000 0.248 218 T C 1.503 176.333 174.700 0.216 0.000 1.040 218 T CA 0.505 62.678 62.100 0.122 0.000 1.133 218 T CB 0.312 69.325 68.868 0.242 0.000 0.895 218 T HN 0.105 nan 8.240 nan 0.000 0.465 219 L N 0.413 121.812 121.223 0.293 0.000 2.766 219 L HA 0.494 4.833 4.340 -0.001 0.000 0.242 219 L C 0.964 178.050 176.870 0.360 0.000 1.136 219 L CA -0.432 54.601 54.840 0.322 0.000 0.933 219 L CB 0.121 42.327 42.059 0.246 0.000 1.241 219 L HN 0.371 nan 8.230 nan 0.000 0.522 220 G N 0.375 109.377 108.800 0.337 0.000 2.692 220 G HA2 -0.176 3.783 3.960 -0.001 0.000 0.686 220 G HA3 -0.176 3.783 3.960 -0.001 0.000 0.686 220 G C -0.383 174.644 174.900 0.212 0.000 1.243 220 G CA -0.858 44.409 45.100 0.278 0.000 0.782 220 G HN -0.084 nan 8.290 nan 0.000 0.625 221 T N 4.594 119.155 114.554 0.011 0.000 2.814 221 T HA 0.539 4.888 4.350 -0.001 0.000 0.297 221 T C -1.323 173.148 174.700 -0.382 0.000 0.956 221 T CA -0.099 61.709 62.100 -0.487 0.000 1.123 221 T CB 1.292 69.921 68.868 -0.398 0.000 0.902 221 T HN 0.647 nan 8.240 nan 0.000 0.528 222 P HA 0.293 nan 4.420 nan 0.000 0.272 222 P C -1.008 176.173 177.300 -0.197 0.000 1.223 222 P CA -0.358 62.498 63.100 -0.406 0.000 0.784 222 P CB 0.712 32.064 31.700 -0.580 0.000 0.923 223 D N -0.780 119.557 120.400 -0.105 0.000 2.592 223 D HA 0.142 4.781 4.640 -0.001 0.000 0.263 223 D C 0.689 176.944 176.300 -0.075 0.000 1.132 223 D CA -0.699 53.244 54.000 -0.094 0.000 0.996 223 D CB 0.202 40.971 40.800 -0.051 0.000 1.442 223 D HN 0.116 nan 8.370 nan 0.000 0.486 224 E N -0.461 119.681 120.200 -0.097 0.000 2.455 224 E HA -0.056 4.293 4.350 -0.001 0.000 0.202 224 E C 1.624 178.231 176.600 0.012 0.000 1.045 224 E CA 0.581 56.940 56.400 -0.068 0.000 0.872 224 E CB -0.075 29.576 29.700 -0.082 0.000 0.792 224 E HN 0.392 nan 8.360 nan 0.000 0.542 225 V N -0.308 119.623 119.914 0.028 0.000 2.492 225 V HA -0.057 4.063 4.120 -0.001 0.000 0.241 225 V C 2.273 178.431 176.094 0.105 0.000 1.041 225 V CA 0.702 63.035 62.300 0.056 0.000 1.057 225 V CB -0.309 31.537 31.823 0.038 0.000 0.711 225 V HN 0.065 nan 8.190 nan 0.000 0.468 226 V N -1.311 118.674 119.914 0.119 0.000 2.667 226 V HA -0.034 4.085 4.120 -0.001 0.000 0.252 226 V C 0.395 176.684 176.094 0.324 0.000 1.065 226 V CA 1.233 63.643 62.300 0.183 0.000 1.083 226 V CB 0.332 32.247 31.823 0.154 0.000 0.692 226 V HN 0.752 nan 8.190 nan 0.000 0.468 227 W N 2.147 123.479 121.300 0.054 0.000 2.320 227 W HA 0.443 5.102 4.660 -0.001 0.000 0.287 227 W C -3.186 173.334 176.519 0.003 0.000 1.041 227 W CA -3.196 54.189 57.345 0.066 0.000 1.148 227 W CB 0.567 30.068 29.460 0.069 0.000 1.046 227 W HN 0.039 nan 8.180 nan 0.000 0.295 228 P HA 0.321 nan 4.420 nan 0.000 0.267 228 P C 0.890 178.184 177.300 -0.010 0.000 1.205 228 P CA 2.138 65.284 63.100 0.077 0.000 0.765 228 P CB 1.045 32.806 31.700 0.101 0.000 0.828 229 G N 1.662 110.371 108.800 -0.152 0.000 2.284 229 G HA2 -0.320 3.639 3.960 -0.001 0.000 0.216 229 G HA3 -0.320 3.639 3.960 -0.001 0.000 0.216 229 G C 0.956 175.579 174.900 -0.461 0.000 1.009 229 G CA 0.197 45.160 45.100 -0.228 0.000 0.625 229 G HN 0.394 nan 8.290 nan 0.000 0.501 230 V N 0.442 119.911 119.914 -0.741 0.000 2.278 230 V HA -0.191 3.929 4.120 -0.001 0.000 0.251 230 V C 3.098 178.615 176.094 -0.962 0.000 1.062 230 V CA 3.556 65.259 62.300 -0.994 0.000 1.038 230 V CB -2.169 29.072 31.823 -0.969 0.000 0.646 230 V HN 1.206 nan 8.190 nan 0.000 0.447 231 T N -0.092 113.855 114.554 -1.012 0.000 2.929 231 T HA -0.146 4.203 4.350 -0.001 0.000 0.271 231 T C 1.663 176.087 174.700 -0.459 0.000 1.085 231 T CA 1.728 63.141 62.100 -1.145 0.000 1.125 231 T CB -0.636 67.885 68.868 -0.578 0.000 0.874 231 T HN 0.841 nan 8.240 nan 0.000 0.494 232 S N -0.322 115.183 115.700 -0.324 0.000 2.540 232 S HA 0.397 4.867 4.470 -0.001 0.000 0.218 232 S C 0.665 175.204 174.600 -0.101 0.000 0.977 232 S CA -0.713 57.397 58.200 -0.150 0.000 0.918 232 S CB -0.546 62.583 63.200 -0.118 0.000 0.806 232 S HN 0.423 nan 8.310 nan 0.000 0.496 233 M N 2.215 121.733 119.600 -0.138 0.000 2.249 233 M HA 0.162 4.641 4.480 -0.001 0.000 0.340 233 M C -1.583 174.733 176.300 0.026 0.000 1.166 233 M CA -1.454 53.813 55.300 -0.055 0.000 1.115 233 M CB 0.367 32.911 32.600 -0.093 0.000 1.606 233 M HN -0.016 nan 8.290 nan 0.000 0.448 234 P HA -0.198 nan 4.420 nan 0.000 0.218 234 P C 0.044 177.377 177.300 0.056 0.000 1.150 234 P CA 1.473 64.596 63.100 0.039 0.000 0.841 234 P CB 0.166 31.892 31.700 0.043 0.000 0.784 235 D N -4.344 116.117 120.400 0.101 0.000 2.469 235 D HA 0.036 4.675 4.640 -0.001 0.000 0.213 235 D C 0.181 176.564 176.300 0.139 0.000 1.135 235 D CA -0.304 53.766 54.000 0.115 0.000 0.834 235 D CB -0.386 40.503 40.800 0.150 0.000 1.009 235 D HN 0.210 nan 8.370 nan 0.000 0.507 236 Y N 2.992 123.289 120.300 -0.006 0.000 2.544 236 Y HA 0.093 4.643 4.550 -0.001 0.000 0.330 236 Y C -0.071 175.590 175.900 -0.398 0.000 1.136 236 Y CA -0.125 57.902 58.100 -0.121 0.000 1.417 236 Y CB 0.389 38.778 38.460 -0.118 0.000 1.229 236 Y HN -0.381 nan 8.280 nan 0.000 0.532 237 K N 7.973 127.379 120.400 -1.657 0.000 2.274 237 K HA 0.282 4.601 4.320 -0.001 0.000 0.262 237 K C -2.311 173.477 176.600 -1.354 0.000 0.961 237 K CA -2.301 53.266 56.287 -1.199 0.000 0.833 237 K CB 1.381 33.364 32.500 -0.862 0.000 1.102 237 K HN 0.414 nan 8.250 nan 0.000 0.436 238 P HA -0.137 nan 4.420 nan 0.000 0.222 238 P C 0.621 177.734 177.300 -0.311 0.000 1.142 238 P CA 1.135 64.039 63.100 -0.326 0.000 0.788 238 P CB 0.265 31.911 31.700 -0.089 0.000 0.767 239 S N -1.588 113.901 115.700 -0.353 0.000 2.399 239 S HA -0.099 4.371 4.470 -0.001 0.000 0.231 239 S C 0.667 175.225 174.600 -0.070 0.000 1.022 239 S CA 0.455 58.547 58.200 -0.180 0.000 0.983 239 S CB -0.999 62.133 63.200 -0.114 0.000 0.803 239 S HN 0.031 nan 8.310 nan 0.000 0.480 240 F N 3.145 123.007 119.950 -0.148 0.000 2.623 240 F HA 0.145 4.672 4.527 -0.001 0.000 0.381 240 F C -1.968 173.662 175.800 -0.282 0.000 1.081 240 F CA -2.647 55.295 58.000 -0.096 0.000 1.293 240 F CB -1.156 37.883 39.000 0.065 0.000 1.006 240 F HN 0.004 nan 8.300 nan 0.000 0.578 241 P HA -0.016 nan 4.420 nan 0.000 0.269 241 P C -0.869 176.076 177.300 -0.592 0.000 1.211 241 P CA 0.114 62.774 63.100 -0.734 0.000 0.781 241 P CB 0.473 31.188 31.700 -1.642 0.000 0.877 242 K N 1.903 121.988 120.400 -0.525 0.000 2.404 242 K HA 0.303 4.622 4.320 -0.001 0.000 0.257 242 K C -0.823 175.624 176.600 -0.255 0.000 1.026 242 K CA -0.100 56.011 56.287 -0.293 0.000 0.951 242 K CB 0.371 32.771 32.500 -0.167 0.000 1.203 242 K HN 0.421 nan 8.250 nan 0.000 0.446 243 W N 1.447 122.715 121.300 -0.052 0.000 2.509 243 W HA 0.625 5.284 4.660 -0.001 0.000 0.351 243 W C 0.346 176.868 176.519 0.004 0.000 1.107 243 W CA -1.260 56.077 57.345 -0.014 0.000 1.264 243 W CB 1.429 30.897 29.460 0.014 0.000 1.312 243 W HN 0.450 nan 8.180 nan 0.000 0.608 244 A N 2.155 125.151 122.820 0.294 0.000 2.264 244 A HA 0.548 4.867 4.320 -0.001 0.000 0.304 244 A C 0.429 178.121 177.584 0.180 0.000 1.100 244 A CA -0.589 51.555 52.037 0.178 0.000 0.839 244 A CB 0.648 19.724 19.000 0.126 0.000 1.121 244 A HN 0.698 nan 8.150 nan 0.000 0.496 245 R N -0.247 120.341 120.500 0.147 0.000 2.980 245 R HA 0.177 4.516 4.340 -0.001 0.000 0.285 245 R C -0.231 176.149 176.300 0.132 0.000 1.072 245 R CA 0.459 56.649 56.100 0.151 0.000 1.203 245 R CB 0.184 30.550 30.300 0.111 0.000 1.163 245 R HN 0.842 nan 8.270 nan 0.000 0.545 246 Q N -0.089 119.809 119.800 0.162 0.000 2.496 246 Q HA 0.237 4.577 4.340 -0.001 0.000 0.286 246 Q C -1.433 174.680 176.000 0.189 0.000 1.103 246 Q CA -0.997 54.889 55.803 0.138 0.000 0.813 246 Q CB 1.876 30.673 28.738 0.099 0.000 1.444 246 Q HN 0.533 nan 8.270 nan 0.000 0.443 247 D N 1.018 121.501 120.400 0.139 0.000 2.277 247 D HA 0.140 4.779 4.640 -0.001 0.000 0.249 247 D C 0.330 176.774 176.300 0.240 0.000 1.134 247 D CA 0.068 54.160 54.000 0.154 0.000 0.863 247 D CB 0.536 41.380 40.800 0.073 0.000 1.143 247 D HN 0.444 nan 8.370 nan 0.000 0.458 248 F N 0.958 120.866 119.950 -0.069 0.000 2.307 248 F HA -0.252 4.275 4.527 -0.001 0.000 0.301 248 F C 2.503 178.239 175.800 -0.108 0.000 1.076 248 F CA 0.541 58.478 58.000 -0.105 0.000 1.383 248 F CB 0.075 39.000 39.000 -0.124 0.000 1.055 248 F HN 0.311 nan 8.300 nan 0.000 0.526 249 S N 0.084 115.837 115.700 0.088 0.000 2.387 249 S HA -0.246 4.223 4.470 -0.001 0.000 0.230 249 S C 1.687 176.263 174.600 -0.041 0.000 1.035 249 S CA 1.201 59.406 58.200 0.008 0.000 1.014 249 S CB -0.383 62.826 63.200 0.014 0.000 0.836 249 S HN 0.441 nan 8.310 nan 0.000 0.466 250 K N 0.456 120.832 120.400 -0.040 0.000 2.211 250 K HA 0.174 4.493 4.320 -0.001 0.000 0.201 250 K C 2.081 178.592 176.600 -0.148 0.000 1.052 250 K CA 0.773 57.015 56.287 -0.075 0.000 0.973 250 K CB -0.184 32.288 32.500 -0.047 0.000 0.766 250 K HN 0.245 nan 8.250 nan 0.000 0.466 251 V N 1.388 121.169 119.914 -0.222 0.000 2.270 251 V HA -0.119 4.000 4.120 -0.001 0.000 0.245 251 V C 1.167 177.025 176.094 -0.393 0.000 1.043 251 V CA 1.183 63.248 62.300 -0.392 0.000 1.014 251 V CB -0.064 31.318 31.823 -0.735 0.000 0.645 251 V HN 0.126 nan 8.190 nan 0.000 0.447 252 V N -2.854 116.844 119.914 -0.360 0.000 2.315 252 V HA 0.421 4.540 4.120 -0.001 0.000 0.265 252 V C -2.050 173.933 176.094 -0.185 0.000 1.019 252 V CA -1.581 60.536 62.300 -0.304 0.000 0.824 252 V CB 0.625 32.210 31.823 -0.398 0.000 1.072 252 V HN 0.194 nan 8.190 nan 0.000 0.448 253 P HA 0.026 nan 4.420 nan 0.000 0.215 253 P C -1.333 175.924 177.300 -0.071 0.000 1.157 253 P CA 1.502 64.546 63.100 -0.092 0.000 0.863 253 P CB -0.921 30.729 31.700 -0.084 0.000 0.787 254 P HA 0.073 nan 4.420 nan 0.000 0.258 254 P C -0.307 176.980 177.300 -0.021 0.000 1.319 254 P CA 0.464 63.539 63.100 -0.042 0.000 0.785 254 P CB -0.240 31.436 31.700 -0.039 0.000 1.252 255 L N 1.109 122.311 121.223 -0.035 0.000 2.362 255 L HA 0.332 4.671 4.340 -0.001 0.000 0.275 255 L C 0.066 176.949 176.870 0.021 0.000 0.998 255 L CA -0.891 53.944 54.840 -0.008 0.000 0.820 255 L CB 1.161 43.158 42.059 -0.103 0.000 1.270 255 L HN -0.107 nan 8.230 nan 0.000 0.415 256 D N 2.935 123.383 120.400 0.080 0.000 2.398 256 D HA -0.009 4.630 4.640 -0.001 0.000 0.247 256 D C 0.362 176.706 176.300 0.073 0.000 1.227 256 D CA -0.465 53.582 54.000 0.078 0.000 0.980 256 D CB 0.858 41.720 40.800 0.104 0.000 1.106 256 D HN 0.589 nan 8.370 nan 0.000 0.493 257 E N -0.256 119.982 120.200 0.063 0.000 2.097 257 E HA -0.217 4.132 4.350 -0.001 0.000 0.196 257 E C 1.175 177.823 176.600 0.080 0.000 1.000 257 E CA 1.395 57.827 56.400 0.053 0.000 0.804 257 E CB 0.096 29.821 29.700 0.041 0.000 0.740 257 E HN 0.401 nan 8.360 nan 0.000 0.454 258 D N -0.996 119.485 120.400 0.135 0.000 2.162 258 D HA -0.063 4.576 4.640 -0.001 0.000 0.203 258 D C 1.831 178.257 176.300 0.210 0.000 0.967 258 D CA 1.033 55.165 54.000 0.220 0.000 0.840 258 D CB -0.371 40.578 40.800 0.248 0.000 0.972 258 D HN 0.276 nan 8.370 nan 0.000 0.482 259 G N 0.667 109.540 108.800 0.121 0.000 2.432 259 G HA2 -0.259 3.701 3.960 -0.001 0.000 0.219 259 G HA3 -0.259 3.701 3.960 -0.001 0.000 0.219 259 G C 1.758 176.502 174.900 -0.261 0.000 1.135 259 G CA 0.276 45.139 45.100 -0.396 0.000 0.767 259 G HN 0.217 nan 8.290 nan 0.000 0.550 260 R N 0.343 120.787 120.500 -0.093 0.000 2.119 260 R HA 0.004 4.343 4.340 -0.001 0.000 0.222 260 R C 2.932 179.196 176.300 -0.061 0.000 1.088 260 R CA 1.220 57.290 56.100 -0.050 0.000 0.984 260 R CB -0.154 30.153 30.300 0.012 0.000 0.884 260 R HN 0.501 nan 8.270 nan 0.000 0.447 261 S N 0.455 116.141 115.700 -0.023 0.000 2.489 261 S HA -0.054 4.415 4.470 -0.001 0.000 0.228 261 S C 1.849 176.446 174.600 -0.005 0.000 0.995 261 S CA 0.349 58.555 58.200 0.010 0.000 0.934 261 S CB 0.050 63.306 63.200 0.094 0.000 0.771 261 S HN 0.180 nan 8.310 nan 0.000 0.522 262 L N 0.883 121.985 121.223 -0.200 0.000 2.049 262 L HA 0.290 4.630 4.340 -0.001 0.000 0.203 262 L C 2.182 178.962 176.870 -0.151 0.000 1.074 262 L CA 1.346 55.906 54.840 -0.467 0.000 0.749 262 L CB -0.961 40.552 42.059 -0.910 0.000 0.907 262 L HN 0.377 nan 8.230 nan 0.000 0.439 263 L N -0.175 121.017 121.223 -0.052 0.000 2.021 263 L HA -0.246 4.093 4.340 -0.001 0.000 0.215 263 L C 2.723 179.598 176.870 0.009 0.000 1.074 263 L CA 2.454 57.293 54.840 -0.002 0.000 0.760 263 L CB -1.137 40.820 42.059 -0.170 0.000 0.889 263 L HN 0.632 nan 8.230 nan 0.000 0.433 264 S N -1.805 113.860 115.700 -0.059 0.000 2.423 264 S HA -0.210 4.259 4.470 -0.001 0.000 0.231 264 S C 1.836 176.404 174.600 -0.053 0.000 1.014 264 S CA 1.076 59.174 58.200 -0.171 0.000 0.965 264 S CB -0.591 62.350 63.200 -0.431 0.000 0.785 264 S HN 0.713 nan 8.310 nan 0.000 0.495 265 Q N 0.228 120.027 119.800 -0.002 0.000 2.245 265 Q HA 0.193 4.532 4.340 -0.001 0.000 0.201 265 Q C 2.127 178.178 176.000 0.085 0.000 0.955 265 Q CA 1.066 56.916 55.803 0.078 0.000 0.870 265 Q CB -0.272 28.511 28.738 0.075 0.000 0.945 265 Q HN 0.641 nan 8.270 nan 0.000 0.461 266 M N -0.209 119.416 119.600 0.042 0.000 2.419 266 M HA -0.025 4.454 4.480 -0.001 0.000 0.264 266 M C 1.198 177.514 176.300 0.027 0.000 1.082 266 M CA 1.033 56.364 55.300 0.051 0.000 1.119 266 M CB 0.226 32.847 32.600 0.035 0.000 1.398 266 M HN 0.167 nan 8.290 nan 0.000 0.453 267 L N -1.219 119.981 121.223 -0.038 0.000 2.818 267 L HA 0.180 4.520 4.340 -0.001 0.000 0.243 267 L C 0.399 177.325 176.870 0.093 0.000 1.185 267 L CA -0.387 54.355 54.840 -0.164 0.000 0.988 267 L CB -0.648 41.203 42.059 -0.346 0.000 1.292 267 L HN 0.193 nan 8.230 nan 0.000 0.519 268 H N -0.967 118.133 119.070 0.050 0.000 3.094 268 H HA -0.126 4.430 4.556 -0.001 0.000 0.320 268 H C 0.823 176.175 175.328 0.039 0.000 1.000 268 H CA 0.597 56.665 56.048 0.034 0.000 1.413 268 H CB 0.560 30.336 29.762 0.023 0.000 1.405 268 H HN 0.040 nan 8.280 nan 0.000 0.586 269 Y N 1.460 121.818 120.300 0.097 0.000 2.128 269 Y HA -0.213 4.336 4.550 -0.001 0.000 0.284 269 Y C 1.468 176.917 175.900 -0.752 0.000 1.154 269 Y CA 1.754 59.754 58.100 -0.166 0.000 1.149 269 Y CB -0.150 38.328 38.460 0.031 0.000 0.976 269 Y HN 0.668 nan 8.280 nan 0.000 0.505 270 D N 0.797 121.043 120.400 -0.258 0.000 2.342 270 D HA 0.018 4.657 4.640 -0.001 0.000 0.260 270 D C -1.895 174.197 176.300 -0.347 0.000 1.278 270 D CA -1.773 51.860 54.000 -0.612 0.000 0.910 270 D CB 1.021 41.755 40.800 -0.111 0.000 1.079 270 D HN 0.053 nan 8.370 nan 0.000 0.496 271 P HA -0.143 nan 4.420 nan 0.000 0.217 271 P C 0.583 177.837 177.300 -0.078 0.000 1.148 271 P CA 1.261 64.281 63.100 -0.134 0.000 0.834 271 P CB 0.200 31.872 31.700 -0.047 0.000 0.783 272 N N -1.174 117.484 118.700 -0.071 0.000 2.409 272 N HA -0.057 4.682 4.740 -0.001 0.000 0.179 272 N C 1.506 176.957 175.510 -0.099 0.000 1.032 272 N CA 0.491 53.512 53.050 -0.048 0.000 0.898 272 N CB -0.032 38.454 38.487 -0.003 0.000 0.971 272 N HN 0.094 nan 8.380 nan 0.000 0.441 273 K N 0.742 121.021 120.400 -0.200 0.000 2.284 273 K HA 0.068 4.388 4.320 -0.001 0.000 0.198 273 K C 0.599 176.993 176.600 -0.343 0.000 1.048 273 K CA -0.022 56.039 56.287 -0.376 0.000 0.987 273 K CB 0.149 32.168 32.500 -0.801 0.000 0.800 273 K HN 0.135 nan 8.250 nan 0.000 0.486 274 R N 1.677 122.060 120.500 -0.195 0.000 2.619 274 R HA 0.001 4.340 4.340 -0.001 0.000 0.268 274 R C 0.260 176.560 176.300 0.001 0.000 0.990 274 R CA 0.039 56.125 56.100 -0.023 0.000 1.092 274 R CB 0.147 30.486 30.300 0.065 0.000 0.935 274 R HN 0.074 nan 8.270 nan 0.000 0.415 275 I N 2.625 123.223 120.570 0.047 0.000 2.696 275 I HA -0.019 4.151 4.170 -0.001 0.000 0.284 275 I C 0.317 176.484 176.117 0.084 0.000 1.129 275 I CA 0.340 61.680 61.300 0.066 0.000 1.410 275 I CB 0.896 38.950 38.000 0.089 0.000 1.399 275 I HN 0.822 nan 8.210 nan 0.000 0.579 276 S N 5.407 121.161 115.700 0.090 0.000 2.693 276 S HA 0.488 4.957 4.470 -0.001 0.000 0.276 276 S C 0.946 175.617 174.600 0.119 0.000 1.192 276 S CA -0.192 58.076 58.200 0.113 0.000 0.994 276 S CB 1.604 64.866 63.200 0.104 0.000 1.012 276 S HN 0.795 nan 8.310 nan 0.000 0.550 277 A N 1.201 124.100 122.820 0.131 0.000 1.933 277 A HA -0.038 4.281 4.320 -0.001 0.000 0.218 277 A C 2.188 179.803 177.584 0.053 0.000 1.175 277 A CA 1.053 53.131 52.037 0.068 0.000 0.628 277 A CB -0.700 18.302 19.000 0.002 0.000 0.814 277 A HN 0.741 nan 8.150 nan 0.000 0.444 278 K N -0.185 120.258 120.400 0.072 0.000 2.025 278 K HA -0.032 4.288 4.320 -0.001 0.000 0.207 278 K C 2.220 178.871 176.600 0.084 0.000 1.049 278 K CA 1.402 57.726 56.287 0.061 0.000 0.933 278 K CB -0.683 31.860 32.500 0.072 0.000 0.714 278 K HN 0.440 nan 8.250 nan 0.000 0.438 279 A N 1.078 123.961 122.820 0.104 0.000 2.014 279 A HA 0.040 4.360 4.320 -0.001 0.000 0.218 279 A C 2.311 180.009 177.584 0.190 0.000 1.163 279 A CA 1.533 53.647 52.037 0.129 0.000 0.652 279 A CB -0.352 18.716 19.000 0.114 0.000 0.808 279 A HN 0.281 nan 8.150 nan 0.000 0.449 280 A N 0.187 123.121 122.820 0.189 0.000 1.902 280 A HA -0.061 4.259 4.320 -0.001 0.000 0.217 280 A C 2.066 179.897 177.584 0.411 0.000 1.181 280 A CA 1.419 53.621 52.037 0.276 0.000 0.623 280 A CB -0.648 18.474 19.000 0.203 0.000 0.818 280 A HN 0.465 nan 8.150 nan 0.000 0.443 281 L N -0.734 120.615 121.223 0.212 0.000 2.129 281 L HA -0.236 4.104 4.340 -0.001 0.000 0.212 281 L C 2.594 179.654 176.870 0.317 0.000 1.087 281 L CA 1.074 55.986 54.840 0.119 0.000 0.757 281 L CB -0.379 41.622 42.059 -0.096 0.000 0.896 281 L HN 0.434 nan 8.230 nan 0.000 0.434 282 A N -2.182 120.808 122.820 0.283 0.000 2.291 282 A HA -0.043 4.276 4.320 -0.001 0.000 0.220 282 A C 0.747 178.515 177.584 0.307 0.000 1.262 282 A CA -0.131 52.062 52.037 0.260 0.000 0.867 282 A CB -0.848 18.251 19.000 0.166 0.000 0.888 282 A HN 0.320 nan 8.150 nan 0.000 0.487 283 H N 0.844 120.141 119.070 0.377 0.000 2.652 283 H HA 0.128 4.683 4.556 -0.001 0.000 0.349 283 H C -1.553 173.914 175.328 0.231 0.000 1.099 283 H CA -1.297 54.921 56.048 0.284 0.000 1.417 283 H CB 1.370 31.296 29.762 0.273 0.000 1.457 283 H HN 0.070 nan 8.280 nan 0.000 0.568 284 P HA -0.216 nan 4.420 nan 0.000 0.217 284 P C 1.469 178.819 177.300 0.083 0.000 1.148 284 P CA 0.892 63.940 63.100 -0.086 0.000 0.828 284 P CB -0.250 31.339 31.700 -0.184 0.000 0.783 285 F N -0.347 119.646 119.950 0.073 0.000 2.271 285 F HA -0.157 4.370 4.527 -0.001 0.000 0.302 285 F C 1.229 176.859 175.800 -0.283 0.000 1.063 285 F CA 1.224 59.142 58.000 -0.136 0.000 1.362 285 F CB -0.568 38.212 39.000 -0.366 0.000 1.060 285 F HN -0.206 nan 8.300 nan 0.000 0.521 286 F N -0.508 119.481 119.950 0.065 0.000 2.654 286 F HA 0.166 4.693 4.527 -0.001 0.000 0.303 286 F C 2.014 177.720 175.800 -0.156 0.000 1.099 286 F CA -0.312 57.612 58.000 -0.127 0.000 1.270 286 F CB -1.017 38.015 39.000 0.054 0.000 1.024 286 F HN -0.012 nan 8.300 nan 0.000 0.548 287 Q N 1.641 121.460 119.800 0.031 0.000 2.028 287 Q HA -0.246 4.094 4.340 -0.001 0.000 0.213 287 Q C -0.223 175.746 176.000 -0.052 0.000 1.017 287 Q CA 2.426 58.225 55.803 -0.007 0.000 0.875 287 Q CB -0.214 28.511 28.738 -0.023 0.000 0.962 287 Q HN 0.429 nan 8.270 nan 0.000 0.413 288 D N 0.062 120.405 120.400 -0.095 0.000 2.513 288 D HA 0.193 4.832 4.640 -0.001 0.000 0.295 288 D C -0.673 175.526 176.300 -0.167 0.000 1.202 288 D CA -0.404 53.526 54.000 -0.117 0.000 0.849 288 D CB 0.556 41.305 40.800 -0.084 0.000 1.116 288 D HN 0.069 nan 8.370 nan 0.000 0.502 289 V N 1.689 121.460 119.914 -0.239 0.000 2.614 289 V HA 0.560 4.680 4.120 -0.001 0.000 0.291 289 V C 0.350 176.301 176.094 -0.238 0.000 1.049 289 V CA 0.386 62.510 62.300 -0.293 0.000 1.038 289 V CB 1.028 32.537 31.823 -0.524 0.000 0.980 289 V HN 0.732 nan 8.190 nan 0.000 0.481 290 T N 3.256 117.710 114.554 -0.168 0.000 2.841 290 T HA 0.521 4.870 4.350 -0.001 0.000 0.276 290 T C -0.347 174.303 174.700 -0.083 0.000 1.003 290 T CA -0.827 61.205 62.100 -0.113 0.000 0.995 290 T CB 1.483 70.301 68.868 -0.083 0.000 1.260 290 T HN 0.647 nan 8.240 nan 0.000 0.581 291 K N 1.833 122.201 120.400 -0.053 0.000 2.533 291 K HA 0.452 4.772 4.320 -0.001 0.000 0.207 291 K C -2.618 173.960 176.600 -0.036 0.000 1.052 291 K CA -1.690 54.579 56.287 -0.030 0.000 1.030 291 K CB -0.042 32.454 32.500 -0.007 0.000 1.522 291 K HN 0.406 nan 8.250 nan 0.000 0.543 292 P HA 0.042 nan 4.420 nan 0.000 0.274 292 P C -0.490 176.781 177.300 -0.049 0.000 1.231 292 P CA -0.655 62.417 63.100 -0.046 0.000 0.790 292 P CB 0.978 32.644 31.700 -0.057 0.000 0.951 293 V N 3.642 123.541 119.914 -0.024 0.000 2.924 293 V HA 0.199 4.319 4.120 -0.001 0.000 0.305 293 V C -1.885 174.204 176.094 -0.009 0.000 1.073 293 V CA -1.192 61.090 62.300 -0.030 0.000 1.098 293 V CB 0.614 32.411 31.823 -0.043 0.000 1.000 293 V HN 0.644 nan 8.190 nan 0.000 0.484 294 P HA 0.242 nan 4.420 nan 0.000 0.284 294 P C -0.324 177.070 177.300 0.155 0.000 1.343 294 P CA -0.229 62.921 63.100 0.084 0.000 0.826 294 P CB 0.067 31.724 31.700 -0.072 0.000 0.956 295 H N 2.460 121.599 119.070 0.116 0.000 2.996 295 H HA 0.103 4.658 4.556 -0.001 0.000 0.285 295 H C 0.446 175.839 175.328 0.108 0.000 1.092 295 H CA 0.717 56.816 56.048 0.086 0.000 1.221 295 H CB -0.774 29.021 29.762 0.055 0.000 1.277 295 H HN 0.309 nan 8.280 nan 0.000 0.668 296 L N 0.000 121.356 121.223 0.221 0.000 2.949 296 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 296 L CA 0.000 54.957 54.840 0.195 0.000 0.813 296 L CB 0.000 42.188 42.059 0.216 0.000 0.961 296 L HN 0.000 nan 8.230 nan 0.000 0.502