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 1fin_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 AFGVPVRTYT HEVVTLWYRA PEILLGCKYY STAVDIWSLG CIFAEMVTRR DATA SEQUENCE ALFPGDSEID QLFRIFRTLG TPDEVVWPGV TSMPDYKPSF PKWARQDFSK DATA SEQUENCE VVPPLDEDGR SLLSQMLHYD PNKRISAKAA LAHPFFQDVT KPVPHLRL 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 0.000 176.313 176.300 0.021 0.000 1.140 1 M CA 0.000 55.286 55.300 -0.023 0.000 0.988 1 M CB 0.000 32.437 32.600 -0.271 0.000 1.302 2 E N -0.577 119.617 120.200 -0.010 0.000 2.481 2 E HA 0.043 4.393 4.350 -0.000 0.000 0.195 2 E C 0.384 176.948 176.600 -0.060 0.000 1.047 2 E CA 0.713 57.096 56.400 -0.028 0.000 0.867 2 E CB -0.158 29.522 29.700 -0.033 0.000 0.858 2 E HN 0.378 nan 8.360 nan 0.000 0.513 3 N N 0.275 118.898 118.700 -0.128 0.000 2.279 3 N HA 0.149 4.889 4.740 -0.000 0.000 0.226 3 N C -1.201 174.059 175.510 -0.416 0.000 1.126 3 N CA 0.024 52.912 53.050 -0.270 0.000 0.846 3 N CB 0.120 38.403 38.487 -0.340 0.000 1.050 3 N HN 0.035 nan 8.380 nan 0.000 0.502 4 F N 0.797 120.689 119.950 -0.098 0.000 2.493 4 F HA 0.318 4.845 4.527 -0.000 0.000 0.329 4 F C 0.502 176.241 175.800 -0.102 0.000 1.126 4 F CA -0.893 57.048 58.000 -0.098 0.000 0.937 4 F CB 1.777 40.703 39.000 -0.124 0.000 1.146 4 F HN -0.208 nan 8.300 nan 0.000 0.442 5 Q N 4.152 124.013 119.800 0.102 0.000 2.314 5 Q HA 0.313 4.653 4.340 -0.000 0.000 0.259 5 Q C -1.126 174.884 176.000 0.017 0.000 0.951 5 Q CA -1.047 54.771 55.803 0.026 0.000 0.909 5 Q CB 1.261 29.999 28.738 -0.000 0.000 1.236 5 Q HN 0.537 nan 8.270 nan 0.000 0.444 6 K N 2.604 122.979 120.400 -0.043 0.000 2.349 6 K HA 0.145 4.465 4.320 -0.000 0.000 0.288 6 K C 0.342 176.933 176.600 -0.014 0.000 1.058 6 K CA -0.327 55.914 56.287 -0.076 0.000 0.953 6 K CB 1.089 33.447 32.500 -0.236 0.000 0.997 6 K HN 0.294 nan 8.250 nan 0.000 0.477 7 V N 1.505 121.429 119.914 0.016 0.000 2.436 7 V HA -0.013 4.107 4.120 -0.000 0.000 0.240 7 V C 0.351 176.480 176.094 0.058 0.000 1.040 7 V CA 1.315 63.626 62.300 0.017 0.000 1.052 7 V CB -0.513 31.294 31.823 -0.027 0.000 0.707 7 V HN 1.024 nan 8.190 nan 0.000 0.469 8 E N -0.040 120.227 120.200 0.113 0.000 2.378 8 E HA 0.292 4.642 4.350 -0.000 0.000 0.283 8 E C -1.128 175.602 176.600 0.217 0.000 0.979 8 E CA -0.860 55.629 56.400 0.147 0.000 0.795 8 E CB 1.569 31.330 29.700 0.101 0.000 1.221 8 E HN 0.074 nan 8.360 nan 0.000 0.428 9 K N 3.360 123.882 120.400 0.203 0.000 2.416 9 K HA 0.139 4.459 4.320 -0.000 0.000 0.283 9 K C 0.726 177.362 176.600 0.060 0.000 1.037 9 K CA 0.117 56.457 56.287 0.089 0.000 0.995 9 K CB 0.340 32.847 32.500 0.011 0.000 0.938 9 K HN 0.653 nan 8.250 nan 0.000 0.475 10 I N 1.050 121.645 120.570 0.043 0.000 3.974 10 I HA 0.460 4.630 4.170 -0.000 0.000 0.334 10 I C 0.394 176.511 176.117 0.001 0.000 1.437 10 I CA -0.263 61.077 61.300 0.066 0.000 1.113 10 I CB 0.228 38.318 38.000 0.151 0.000 1.063 10 I HN 0.649 nan 8.210 nan 0.000 0.400 11 G N 0.851 109.621 108.800 -0.051 0.000 2.315 11 G HA2 0.423 4.383 3.960 -0.000 0.000 0.294 11 G HA3 0.423 4.383 3.960 -0.000 0.000 0.294 11 G C -1.760 173.079 174.900 -0.102 0.000 1.300 11 G CA -0.301 44.760 45.100 -0.065 0.000 0.843 11 G HN 0.379 nan 8.290 nan 0.000 0.527 12 E N -2.475 117.680 120.200 -0.075 0.000 2.299 12 E HA 0.550 4.900 4.350 -0.000 0.000 0.260 12 E C -0.654 175.919 176.600 -0.045 0.000 1.288 12 E CA 0.204 56.564 56.400 -0.066 0.000 0.904 12 E CB 1.354 31.017 29.700 -0.061 0.000 1.562 12 E HN 2.466 nan 8.360 nan 0.000 0.462 13 G N 1.180 109.962 108.800 -0.030 0.000 3.353 13 G HA2 0.275 4.235 3.960 -0.000 0.000 0.682 13 G HA3 0.275 4.235 3.960 -0.000 0.000 0.682 13 G C 0.276 175.162 174.900 -0.024 0.000 1.192 13 G CA 0.327 45.408 45.100 -0.031 0.000 1.111 13 G HN 0.983 nan 8.290 nan 0.000 0.493 14 T N 0.843 115.392 114.554 -0.008 0.000 13.934 14 T HA -0.411 3.939 4.350 -0.000 0.000 0.419 14 T C 1.331 176.086 174.700 0.092 0.000 1.441 14 T CA 2.335 64.440 62.100 0.008 0.000 2.340 14 T CB -1.519 67.318 68.868 -0.051 0.000 2.771 14 T HN 2.288 nan 8.240 nan 0.000 0.382 15 Y N 4.075 124.361 120.300 -0.025 0.000 2.465 15 Y HA 0.523 5.073 4.550 -0.000 0.000 0.311 15 Y C 0.612 176.492 175.900 -0.034 0.000 1.204 15 Y CA 0.137 58.221 58.100 -0.027 0.000 1.272 15 Y CB -0.604 37.842 38.460 -0.023 0.000 1.083 15 Y HN 1.367 nan 8.280 nan 0.000 0.508 16 G N -0.373 108.551 108.800 0.208 0.000 2.326 16 G HA2 0.310 4.270 3.960 -0.000 0.000 0.413 16 G HA3 0.310 4.270 3.960 -0.000 0.000 0.413 16 G C -1.229 173.693 174.900 0.037 0.000 1.444 16 G CA -0.593 44.561 45.100 0.090 0.000 1.002 16 G HN 0.783 nan 8.290 nan 0.000 0.649 17 V N -1.606 118.283 119.914 -0.042 0.000 3.036 17 V HA 0.884 5.004 4.120 -0.000 0.000 0.308 17 V C 0.333 176.308 176.094 -0.198 0.000 1.070 17 V CA -0.740 61.458 62.300 -0.170 0.000 1.056 17 V CB 1.563 33.181 31.823 -0.341 0.000 1.084 17 V HN 1.242 nan 8.190 nan 0.000 0.471 18 V N 3.581 123.346 119.914 -0.249 0.000 2.540 18 V HA 0.585 4.705 4.120 -0.000 0.000 0.302 18 V C -0.944 175.022 176.094 -0.213 0.000 1.035 18 V CA -0.386 61.841 62.300 -0.122 0.000 0.873 18 V CB 1.328 33.138 31.823 -0.021 0.000 0.992 18 V HN 0.908 nan 8.190 nan 0.000 0.428 19 Y N 1.883 122.244 120.300 0.102 0.000 2.524 19 Y HA 0.544 5.094 4.550 -0.000 0.000 0.344 19 Y C 0.142 176.119 175.900 0.128 0.000 1.012 19 Y CA -0.983 57.175 58.100 0.097 0.000 1.068 19 Y CB 1.838 40.337 38.460 0.066 0.000 1.249 19 Y HN 0.475 nan 8.280 nan 0.000 0.468 20 K N 1.856 122.440 120.400 0.307 0.000 2.211 20 K HA 0.850 5.170 4.320 -0.000 0.000 0.275 20 K C -1.196 175.461 176.600 0.096 0.000 1.024 20 K CA -0.221 56.174 56.287 0.180 0.000 0.887 20 K CB 0.757 33.273 32.500 0.026 0.000 1.084 20 K HN 0.851 nan 8.250 nan 0.000 0.463 21 A N 3.861 126.717 122.820 0.060 0.000 2.530 21 A HA 0.724 5.044 4.320 -0.000 0.000 0.288 21 A C -1.487 176.144 177.584 0.080 0.000 1.172 21 A CA -1.126 50.947 52.037 0.060 0.000 0.733 21 A CB 1.260 20.293 19.000 0.056 0.000 1.320 21 A HN 0.913 nan 8.150 nan 0.000 0.419 22 R N 0.703 121.276 120.500 0.123 0.000 2.621 22 R HA 0.517 4.857 4.340 -0.000 0.000 0.284 22 R C -1.005 175.361 176.300 0.109 0.000 0.998 22 R CA -0.827 55.330 56.100 0.096 0.000 0.895 22 R CB 1.241 31.549 30.300 0.012 0.000 1.195 22 R HN 0.531 nan 8.270 nan 0.000 0.450 23 N N 2.577 121.292 118.700 0.024 0.000 2.416 23 N HA -0.007 4.733 4.740 -0.000 0.000 0.265 23 N C 0.024 175.422 175.510 -0.187 0.000 1.195 23 N CA 0.113 53.000 53.050 -0.271 0.000 0.943 23 N CB 0.961 39.288 38.487 -0.265 0.000 1.115 23 N HN 0.687 nan 8.380 nan 0.000 0.481 24 K N 3.265 123.543 120.400 -0.204 0.000 2.360 24 K HA -0.075 4.245 4.320 -0.000 0.000 0.201 24 K C 1.321 177.850 176.600 -0.118 0.000 1.046 24 K CA 0.891 57.102 56.287 -0.126 0.000 0.945 24 K CB 0.346 32.780 32.500 -0.110 0.000 0.750 24 K HN 0.539 nan 8.250 nan 0.000 0.464 25 L N 0.109 121.240 121.223 -0.153 0.000 2.253 25 L HA -0.038 4.302 4.340 -0.000 0.000 0.205 25 L C 2.424 179.239 176.870 -0.092 0.000 1.078 25 L CA 1.115 55.885 54.840 -0.117 0.000 0.805 25 L CB -0.181 41.800 42.059 -0.131 0.000 0.963 25 L HN 0.259 nan 8.230 nan 0.000 0.459 26 T N -4.798 109.696 114.554 -0.101 0.000 3.014 26 T HA 0.247 4.597 4.350 -0.000 0.000 0.250 26 T C 1.522 176.194 174.700 -0.046 0.000 1.060 26 T CA 0.586 62.646 62.100 -0.066 0.000 1.040 26 T CB 0.865 69.695 68.868 -0.063 0.000 0.971 26 T HN 0.378 nan 8.240 nan 0.000 0.497 27 G N 1.536 110.304 108.800 -0.053 0.000 2.205 27 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.261 27 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.261 27 G C -0.078 174.815 174.900 -0.011 0.000 0.980 27 G CA 0.339 45.421 45.100 -0.031 0.000 0.632 27 G HN 0.888 nan 8.290 nan 0.000 0.533 28 E N 0.424 120.623 120.200 -0.002 0.000 2.442 28 E HA 0.322 4.672 4.350 -0.000 0.000 0.262 28 E C 0.188 176.821 176.600 0.056 0.000 1.004 28 E CA -0.058 56.362 56.400 0.032 0.000 0.928 28 E CB 0.514 30.241 29.700 0.045 0.000 0.937 28 E HN 0.206 nan 8.360 nan 0.000 0.446 29 V N 5.556 125.504 119.914 0.056 0.000 2.427 29 V HA 0.362 4.482 4.120 -0.000 0.000 0.286 29 V C 0.090 176.259 176.094 0.124 0.000 1.034 29 V CA -0.444 61.874 62.300 0.029 0.000 0.893 29 V CB 1.100 32.867 31.823 -0.092 0.000 0.982 29 V HN 0.566 nan 8.190 nan 0.000 0.452 30 V N 1.686 121.694 119.914 0.156 0.000 3.130 30 V HA 0.991 5.111 4.120 -0.000 0.000 0.310 30 V C -0.135 176.149 176.094 0.315 0.000 1.158 30 V CA -1.180 61.269 62.300 0.248 0.000 1.029 30 V CB 1.973 33.919 31.823 0.204 0.000 1.057 30 V HN 0.999 nan 8.190 nan 0.000 0.436 31 A N 2.553 125.586 122.820 0.355 0.000 2.260 31 A HA 0.776 5.096 4.320 -0.000 0.000 0.312 31 A C -0.622 177.130 177.584 0.279 0.000 1.321 31 A CA -0.305 51.937 52.037 0.342 0.000 0.928 31 A CB 0.387 19.526 19.000 0.232 0.000 1.158 31 A HN 1.679 nan 8.150 nan 0.000 0.542 32 L N 3.027 124.386 121.223 0.227 0.000 2.313 32 L HA 0.444 4.784 4.340 -0.000 0.000 0.273 32 L C 0.030 177.058 176.870 0.264 0.000 1.028 32 L CA -0.312 54.624 54.840 0.160 0.000 0.871 32 L CB 0.748 42.776 42.059 -0.053 0.000 1.242 32 L HN 0.601 nan 8.230 nan 0.000 0.434 33 K N 4.493 125.056 120.400 0.270 0.000 2.379 33 K HA 0.208 4.528 4.320 -0.000 0.000 0.284 33 K C -0.567 176.148 176.600 0.191 0.000 1.044 33 K CA -0.274 56.153 56.287 0.234 0.000 0.974 33 K CB 0.607 33.280 32.500 0.289 0.000 0.962 33 K HN 0.691 nan 8.250 nan 0.000 0.474 34 K N 4.781 125.263 120.400 0.137 0.000 2.208 34 K HA 0.460 4.780 4.320 -0.000 0.000 0.247 34 K C -1.083 175.434 176.600 -0.138 0.000 0.953 34 K CA -0.712 55.557 56.287 -0.030 0.000 0.837 34 K CB 0.954 33.521 32.500 0.111 0.000 1.131 34 K HN 0.554 nan 8.250 nan 0.000 0.431 35 I N 3.844 124.225 120.570 -0.314 0.000 2.571 35 I HA 0.187 4.357 4.170 -0.000 0.000 0.286 35 I C 0.540 176.483 176.117 -0.290 0.000 1.134 35 I CA -0.687 60.426 61.300 -0.313 0.000 1.052 35 I CB 2.010 39.702 38.000 -0.512 0.000 1.237 35 I HN 0.734 nan 8.210 nan 0.000 0.435 36 R N 5.554 125.946 120.500 -0.180 0.000 2.075 36 R HA 0.216 4.556 4.340 -0.000 0.000 0.232 36 R C -0.044 176.192 176.300 -0.106 0.000 1.126 36 R CA 1.279 57.303 56.100 -0.128 0.000 0.963 36 R CB 0.135 30.398 30.300 -0.063 0.000 0.858 36 R HN 0.622 nan 8.270 nan 0.000 0.435 37 L N 0.655 121.815 121.223 -0.106 0.000 0.699 37 L HA -0.168 4.172 4.340 -0.000 0.000 0.365 37 L C -1.383 175.467 176.870 -0.034 0.000 1.004 37 L CA 0.179 54.974 54.840 -0.074 0.000 1.219 37 L CB -0.555 41.471 42.059 -0.054 0.000 0.401 37 L HN 0.332 nan 8.230 nan 0.000 0.241 38 D N 2.565 122.951 120.400 -0.024 0.000 2.411 38 D HA 0.286 4.926 4.640 -0.000 0.000 0.225 38 D C 1.011 177.311 176.300 0.000 0.000 1.156 38 D CA 0.018 54.013 54.000 -0.008 0.000 0.874 38 D CB 1.220 42.017 40.800 -0.005 0.000 1.034 38 D HN 0.493 nan 8.370 nan 0.000 0.502 39 T N 2.553 117.109 114.554 0.004 0.000 3.118 39 T HA -0.076 4.274 4.350 -0.000 0.000 0.260 39 T C 1.297 176.002 174.700 0.008 0.000 1.139 39 T CA 0.728 62.834 62.100 0.011 0.000 1.085 39 T CB 0.319 69.193 68.868 0.009 0.000 0.934 39 T HN 0.421 nan 8.240 nan 0.000 0.518 40 E N 0.959 121.162 120.200 0.006 0.000 2.421 40 E HA 0.029 4.379 4.350 -0.000 0.000 0.209 40 E C 1.534 178.137 176.600 0.005 0.000 0.871 40 E CA 0.554 56.957 56.400 0.005 0.000 1.064 40 E CB 0.502 30.204 29.700 0.004 0.000 1.075 40 E HN 0.410 nan 8.360 nan 0.000 0.513 41 T N -2.761 111.796 114.554 0.005 0.000 3.262 41 T HA 0.337 4.687 4.350 -0.000 0.000 0.300 41 T C 0.859 175.562 174.700 0.006 0.000 0.959 41 T CA -0.107 61.996 62.100 0.005 0.000 0.936 41 T CB 0.431 69.302 68.868 0.005 0.000 1.169 41 T HN 0.123 nan 8.240 nan 0.000 0.532 42 E N 0.789 120.992 120.200 0.005 0.000 3.454 42 E HA 0.454 4.804 4.350 -0.000 0.000 0.208 42 E C 1.140 177.742 176.600 0.004 0.000 1.153 42 E CA 0.685 57.087 56.400 0.004 0.000 1.553 42 E CB 0.628 30.330 29.700 0.002 0.000 1.423 42 E HN 0.469 nan 8.360 nan 0.000 0.662 43 G N 1.200 110.002 108.800 0.003 0.000 2.542 43 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.235 43 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.235 43 G C -0.363 174.521 174.900 -0.026 0.000 1.286 43 G CA -0.228 44.877 45.100 0.009 0.000 0.904 43 G HN 0.321 nan 8.290 nan 0.000 0.577 44 V N 3.278 123.167 119.914 -0.043 0.000 2.585 44 V HA 0.351 4.471 4.120 -0.000 0.000 0.296 44 V C -1.325 174.731 176.094 -0.064 0.000 1.035 44 V CA -0.158 62.072 62.300 -0.117 0.000 1.084 44 V CB 1.010 32.737 31.823 -0.159 0.000 0.953 44 V HN 0.608 nan 8.190 nan 0.000 0.483 45 P HA 0.104 nan 4.420 nan 0.000 0.271 45 P C 0.865 178.197 177.300 0.053 0.000 1.216 45 P CA -0.032 63.079 63.100 0.019 0.000 0.776 45 P CB 0.728 32.471 31.700 0.071 0.000 0.881 46 S N 0.804 116.541 115.700 0.061 0.000 2.442 46 S HA -0.159 4.311 4.470 -0.000 0.000 0.236 46 S C 1.443 176.096 174.600 0.087 0.000 1.007 46 S CA 1.795 60.028 58.200 0.056 0.000 0.965 46 S CB -1.392 61.832 63.200 0.040 0.000 0.773 46 S HN 0.446 nan 8.310 nan 0.000 0.504 47 T N 2.463 117.102 114.554 0.141 0.000 2.777 47 T HA 0.151 4.501 4.350 -0.000 0.000 0.266 47 T C 2.227 177.065 174.700 0.231 0.000 1.040 47 T CA 1.218 63.414 62.100 0.161 0.000 1.141 47 T CB -0.737 68.212 68.868 0.136 0.000 0.868 47 T HN 0.634 nan 8.240 nan 0.000 0.444 48 A N 1.623 124.628 122.820 0.308 0.000 1.930 48 A HA 0.009 4.329 4.320 -0.000 0.000 0.217 48 A C 2.230 179.862 177.584 0.080 0.000 1.175 48 A CA 0.854 53.006 52.037 0.192 0.000 0.627 48 A CB -0.637 18.340 19.000 -0.038 0.000 0.815 48 A HN 0.347 nan 8.150 nan 0.000 0.443 49 I N -0.165 120.434 120.570 0.049 0.000 2.163 49 I HA -0.225 3.945 4.170 -0.000 0.000 0.243 49 I C 2.580 178.721 176.117 0.041 0.000 1.085 49 I CA 1.598 62.912 61.300 0.024 0.000 1.347 49 I CB -1.165 36.847 38.000 0.020 0.000 1.044 49 I HN 0.366 nan 8.210 nan 0.000 0.408 50 R N 0.120 120.657 120.500 0.062 0.000 2.073 50 R HA -0.159 4.181 4.340 -0.000 0.000 0.229 50 R C 2.229 178.576 176.300 0.079 0.000 1.120 50 R CA 1.240 57.378 56.100 0.064 0.000 0.967 50 R CB -0.166 30.173 30.300 0.064 0.000 0.862 50 R HN 0.414 nan 8.270 nan 0.000 0.436 51 E N 0.932 121.198 120.200 0.111 0.000 2.023 51 E HA -0.212 4.138 4.350 -0.000 0.000 0.196 51 E C 1.929 178.581 176.600 0.086 0.000 1.003 51 E CA 1.457 57.942 56.400 0.141 0.000 0.809 51 E CB -0.061 29.763 29.700 0.208 0.000 0.755 51 E HN 0.239 nan 8.360 nan 0.000 0.449 52 I N 1.157 121.769 120.570 0.069 0.000 2.127 52 I HA -0.298 3.872 4.170 -0.000 0.000 0.241 52 I C 2.848 178.960 176.117 -0.008 0.000 1.075 52 I CA 1.507 62.816 61.300 0.015 0.000 1.334 52 I CB -0.683 37.313 38.000 -0.006 0.000 1.040 52 I HN 0.266 nan 8.210 nan 0.000 0.405 53 S N 1.339 117.041 115.700 0.003 0.000 2.400 53 S HA -0.140 4.330 4.470 -0.000 0.000 0.232 53 S C 1.923 176.515 174.600 -0.014 0.000 1.025 53 S CA 1.133 59.330 58.200 -0.004 0.000 0.993 53 S CB -0.710 62.493 63.200 0.005 0.000 0.808 53 S HN 0.431 nan 8.310 nan 0.000 0.478 54 L N 0.035 121.250 121.223 -0.013 0.000 2.168 54 L HA 0.241 4.581 4.340 -0.000 0.000 0.203 54 L C 2.706 179.501 176.870 -0.125 0.000 1.078 54 L CA 0.445 55.264 54.840 -0.036 0.000 0.780 54 L CB -0.489 41.582 42.059 0.021 0.000 0.939 54 L HN 0.258 nan 8.230 nan 0.000 0.451 55 L N 0.971 122.089 121.223 -0.174 0.000 1.989 55 L HA -0.254 4.086 4.340 -0.000 0.000 0.211 55 L C 2.833 179.617 176.870 -0.143 0.000 1.071 55 L CA 1.860 56.540 54.840 -0.266 0.000 0.749 55 L CB -0.416 41.550 42.059 -0.154 0.000 0.890 55 L HN 0.388 nan 8.230 nan 0.000 0.431 56 K N -0.123 120.226 120.400 -0.085 0.000 2.286 56 K HA -0.287 4.033 4.320 -0.000 0.000 0.203 56 K C 1.661 178.234 176.600 -0.045 0.000 1.045 56 K CA 2.130 58.382 56.287 -0.058 0.000 0.935 56 K CB -0.301 32.171 32.500 -0.046 0.000 0.737 56 K HN 0.385 nan 8.250 nan 0.000 0.460 57 E N 0.861 121.028 120.200 -0.055 0.000 2.299 57 E HA 0.038 4.388 4.350 -0.000 0.000 0.193 57 E C -0.119 176.452 176.600 -0.049 0.000 0.998 57 E CA 0.072 56.448 56.400 -0.040 0.000 0.851 57 E CB 0.222 29.899 29.700 -0.040 0.000 0.795 57 E HN 0.326 nan 8.360 nan 0.000 0.492 58 L N 2.322 123.505 121.223 -0.066 0.000 2.314 58 L HA 0.338 4.678 4.340 -0.000 0.000 0.275 58 L C -0.475 176.459 176.870 0.108 0.000 1.068 58 L CA -0.434 54.419 54.840 0.022 0.000 0.894 58 L CB 0.789 42.802 42.059 -0.076 0.000 1.275 58 L HN -0.046 nan 8.230 nan 0.000 0.432 59 N N 2.379 121.177 118.700 0.163 0.000 2.485 59 N HA 0.273 5.013 4.740 -0.000 0.000 0.243 59 N C -1.136 174.328 175.510 -0.075 0.000 0.987 59 N CA -0.331 52.743 53.050 0.040 0.000 0.940 59 N CB 1.024 39.513 38.487 0.002 0.000 1.122 59 N HN 0.542 nan 8.380 nan 0.000 0.509 60 H N 1.662 120.603 119.070 -0.215 0.000 2.996 60 H HA 0.308 4.864 4.556 -0.000 0.000 0.368 60 H C -1.846 173.356 175.328 -0.210 0.000 1.185 60 H CA -1.238 54.574 56.048 -0.394 0.000 1.160 60 H CB 2.194 31.642 29.762 -0.523 0.000 1.820 60 H HN 0.209 nan 8.280 nan 0.000 0.547 61 P HA -0.074 nan 4.420 nan 0.000 0.220 61 P C -0.276 177.019 177.300 -0.008 0.000 1.148 61 P CA 1.119 64.079 63.100 -0.234 0.000 0.803 61 P CB 0.318 31.823 31.700 -0.324 0.000 0.782 62 N N -0.386 118.477 118.700 0.272 0.000 2.376 62 N HA 0.253 4.993 4.740 -0.000 0.000 0.249 62 N C -0.108 175.482 175.510 0.133 0.000 1.140 62 N CA -0.104 53.058 53.050 0.186 0.000 0.870 62 N CB 0.122 38.698 38.487 0.150 0.000 1.124 62 N HN 0.167 nan 8.380 nan 0.000 0.505 63 I N 0.324 120.976 120.570 0.137 0.000 2.569 63 I HA 0.201 4.371 4.170 -0.000 0.000 0.290 63 I C -0.148 176.023 176.117 0.089 0.000 1.088 63 I CA -1.131 60.250 61.300 0.135 0.000 1.047 63 I CB 2.254 40.336 38.000 0.136 0.000 1.237 63 I HN -0.184 nan 8.210 nan 0.000 0.421 64 V N 5.908 125.880 119.914 0.098 0.000 2.788 64 V HA -0.010 4.110 4.120 -0.000 0.000 0.307 64 V C 0.212 176.383 176.094 0.127 0.000 1.069 64 V CA 0.495 62.838 62.300 0.072 0.000 1.173 64 V CB 1.096 32.918 31.823 -0.001 0.000 0.925 64 V HN 0.757 nan 8.190 nan 0.000 0.492 65 K N 4.977 125.472 120.400 0.159 0.000 2.183 65 K HA 0.498 4.818 4.320 -0.000 0.000 0.274 65 K C -0.859 175.871 176.600 0.217 0.000 1.009 65 K CA -0.697 55.675 56.287 0.142 0.000 0.888 65 K CB 1.340 33.884 32.500 0.073 0.000 1.078 65 K HN 0.643 nan 8.250 nan 0.000 0.459 66 L N 6.539 127.801 121.223 0.065 0.000 2.260 66 L HA 0.241 4.581 4.340 -0.000 0.000 0.289 66 L C -0.152 176.622 176.870 -0.160 0.000 1.057 66 L CA 0.305 55.005 54.840 -0.233 0.000 0.811 66 L CB 0.581 42.481 42.059 -0.265 0.000 1.184 66 L HN 0.859 nan 8.230 nan 0.000 0.429 67 L N 3.077 124.198 121.223 -0.170 0.000 2.416 67 L HA 0.394 4.734 4.340 -0.000 0.000 0.216 67 L C -0.027 176.800 176.870 -0.073 0.000 1.098 67 L CA 0.179 54.977 54.840 -0.070 0.000 0.840 67 L CB -0.043 42.015 42.059 -0.003 0.000 0.981 67 L HN 0.657 nan 8.230 nan 0.000 0.462 68 D N -2.110 118.210 120.400 -0.134 0.000 2.742 68 D HA 0.390 5.030 4.640 -0.000 0.000 0.262 68 D C -1.608 174.628 176.300 -0.107 0.000 1.240 68 D CA -0.197 53.759 54.000 -0.075 0.000 0.752 68 D CB 2.167 42.972 40.800 0.009 0.000 1.290 68 D HN -0.330 nan 8.370 nan 0.000 0.420 69 V N 1.892 121.779 119.914 -0.045 0.000 2.686 69 V HA 0.585 4.705 4.120 -0.000 0.000 0.306 69 V C -0.483 175.640 176.094 0.049 0.000 1.065 69 V CA -0.568 61.718 62.300 -0.022 0.000 0.894 69 V CB 1.759 33.565 31.823 -0.028 0.000 1.004 69 V HN 0.471 nan 8.190 nan 0.000 0.424 70 I N 3.842 124.480 120.570 0.114 0.000 2.464 70 I HA 0.341 4.511 4.170 -0.000 0.000 0.277 70 I C -0.082 176.184 176.117 0.247 0.000 1.040 70 I CA -0.016 61.387 61.300 0.170 0.000 1.153 70 I CB 0.852 38.953 38.000 0.168 0.000 1.274 70 I HN 0.651 nan 8.210 nan 0.000 0.469 71 H N 5.731 124.839 119.070 0.064 0.000 2.741 71 H HA 0.371 4.927 4.556 -0.000 0.000 0.282 71 H C 0.291 175.644 175.328 0.043 0.000 1.122 71 H CA -0.545 55.522 56.048 0.032 0.000 1.293 71 H CB 0.682 30.444 29.762 0.000 0.000 1.415 71 H HN 0.668 nan 8.280 nan 0.000 0.472 72 T N 0.096 114.777 114.554 0.211 0.000 2.891 72 T HA 0.043 4.393 4.350 -0.000 0.000 0.294 72 T C 1.173 175.838 174.700 -0.058 0.000 1.065 72 T CA -0.584 61.554 62.100 0.063 0.000 0.936 72 T CB 1.347 70.295 68.868 0.133 0.000 1.415 72 T HN 0.732 nan 8.240 nan 0.000 0.572 73 E N 0.334 120.505 120.200 -0.047 0.000 2.122 73 E HA -0.114 4.236 4.350 -0.000 0.000 0.190 73 E C 1.843 178.442 176.600 -0.001 0.000 0.977 73 E CA 0.699 57.059 56.400 -0.067 0.000 0.820 73 E CB -0.042 29.632 29.700 -0.042 0.000 0.770 73 E HN 0.662 nan 8.360 nan 0.000 0.462 74 N N 1.568 120.284 118.700 0.027 0.000 2.085 74 N HA -0.116 4.624 4.740 -0.000 0.000 0.191 74 N C 1.005 176.526 175.510 0.018 0.000 1.058 74 N CA 1.177 54.246 53.050 0.031 0.000 0.849 74 N CB -0.398 38.116 38.487 0.045 0.000 1.038 74 N HN 0.061 nan 8.380 nan 0.000 0.434 75 K N 0.116 120.517 120.400 0.002 0.000 2.208 75 K HA 0.526 4.846 4.320 -0.000 0.000 0.241 75 K C -0.993 175.525 176.600 -0.137 0.000 1.087 75 K CA -0.811 55.397 56.287 -0.133 0.000 0.883 75 K CB 1.325 33.641 32.500 -0.307 0.000 1.360 75 K HN 0.210 nan 8.250 nan 0.000 0.496 76 L N 1.199 122.207 121.223 -0.358 0.000 2.409 76 L HA 0.462 4.802 4.340 -0.000 0.000 0.272 76 L C -1.671 174.948 176.870 -0.419 0.000 0.980 76 L CA -0.909 53.762 54.840 -0.281 0.000 0.826 76 L CB 1.392 43.238 42.059 -0.355 0.000 1.268 76 L HN 0.568 nan 8.230 nan 0.000 0.407 77 Y N 4.408 124.676 120.300 -0.054 0.000 2.429 77 Y HA 0.569 5.119 4.550 -0.000 0.000 0.342 77 Y C -0.267 175.580 175.900 -0.089 0.000 1.004 77 Y CA -0.775 57.289 58.100 -0.060 0.000 1.075 77 Y CB 1.953 40.370 38.460 -0.072 0.000 1.214 77 Y HN 0.299 nan 8.280 nan 0.000 0.455 78 L N 3.937 125.204 121.223 0.073 0.000 2.325 78 L HA 0.610 4.950 4.340 -0.000 0.000 0.281 78 L C -1.047 175.737 176.870 -0.142 0.000 1.004 78 L CA -1.103 53.682 54.840 -0.092 0.000 0.823 78 L CB 1.470 43.501 42.059 -0.047 0.000 1.236 78 L HN 0.322 nan 8.230 nan 0.000 0.415 79 V N 3.325 123.077 119.914 -0.271 0.000 2.407 79 V HA 0.465 4.585 4.120 -0.000 0.000 0.278 79 V C -0.345 175.551 176.094 -0.330 0.000 1.037 79 V CA -0.200 61.982 62.300 -0.198 0.000 0.900 79 V CB 1.246 32.994 31.823 -0.125 0.000 0.983 79 V HN 0.398 nan 8.190 nan 0.000 0.459 80 F N 1.719 121.692 119.950 0.038 0.000 2.598 80 F HA 0.504 5.031 4.527 -0.000 0.000 0.327 80 F C 0.564 176.400 175.800 0.060 0.000 1.057 80 F CA -1.160 56.864 58.000 0.039 0.000 0.957 80 F CB 1.530 40.547 39.000 0.029 0.000 1.278 80 F HN 0.615 nan 8.300 nan 0.000 0.484 81 E N 0.656 121.018 120.200 0.271 0.000 2.392 81 E HA 0.145 4.495 4.350 -0.000 0.000 0.264 81 E C -1.101 175.595 176.600 0.160 0.000 1.024 81 E CA -0.330 56.177 56.400 0.178 0.000 0.903 81 E CB 0.647 30.414 29.700 0.111 0.000 0.963 81 E HN 0.438 nan 8.360 nan 0.000 0.432 82 F N 3.737 123.701 119.950 0.023 0.000 2.444 82 F HA 0.305 4.832 4.527 -0.000 0.000 0.360 82 F C -1.226 174.459 175.800 -0.191 0.000 1.106 82 F CA -0.572 57.400 58.000 -0.047 0.000 1.170 82 F CB 0.278 39.258 39.000 -0.033 0.000 1.113 82 F HN 0.384 nan 8.300 nan 0.000 0.521 83 L N 6.341 126.973 121.223 -0.985 0.000 2.334 83 L HA 0.325 4.665 4.340 -0.000 0.000 0.270 83 L C 1.294 177.476 176.870 -1.147 0.000 1.018 83 L CA -0.609 53.718 54.840 -0.855 0.000 0.811 83 L CB 1.399 43.206 42.059 -0.420 0.000 1.271 83 L HN 0.572 nan 8.230 nan 0.000 0.443 84 H N 0.017 118.896 119.070 -0.319 0.000 2.436 84 H HA 0.139 4.695 4.556 -0.000 0.000 0.294 84 H C 0.017 175.280 175.328 -0.108 0.000 1.048 84 H CA 0.654 56.623 56.048 -0.131 0.000 1.353 84 H CB 0.583 30.376 29.762 0.052 0.000 1.414 84 H HN 0.492 nan 8.280 nan 0.000 0.536 85 Q N 0.546 120.322 119.800 -0.040 0.000 2.578 85 Q HA 0.161 4.501 4.340 -0.000 0.000 0.284 85 Q C -1.705 174.248 176.000 -0.079 0.000 0.960 85 Q CA -0.742 55.046 55.803 -0.025 0.000 0.809 85 Q CB 2.499 31.269 28.738 0.053 0.000 1.462 85 Q HN 0.293 nan 8.270 nan 0.000 0.392 86 D N 0.266 120.633 120.400 -0.054 0.000 2.253 86 D HA 0.168 4.808 4.640 -0.000 0.000 0.249 86 D C 0.691 176.986 176.300 -0.008 0.000 1.049 86 D CA -0.621 53.336 54.000 -0.071 0.000 0.929 86 D CB 0.866 41.622 40.800 -0.073 0.000 1.176 86 D HN 0.537 nan 8.370 nan 0.000 0.437 87 L N 0.444 121.649 121.223 -0.030 0.000 2.187 87 L HA -0.193 4.147 4.340 -0.000 0.000 0.213 87 L C 2.230 179.191 176.870 0.151 0.000 1.100 87 L CA 1.377 56.258 54.840 0.069 0.000 0.765 87 L CB -0.208 41.853 42.059 0.003 0.000 0.904 87 L HN 0.626 nan 8.230 nan 0.000 0.437 88 K N -0.068 120.375 120.400 0.073 0.000 1.973 88 K HA -0.219 4.101 4.320 -0.000 0.000 0.212 88 K C 2.048 178.702 176.600 0.091 0.000 1.047 88 K CA 1.291 57.622 56.287 0.073 0.000 0.937 88 K CB 0.073 32.590 32.500 0.028 0.000 0.721 88 K HN 0.024 nan 8.250 nan 0.000 0.440 89 K N 0.443 120.891 120.400 0.080 0.000 2.218 89 K HA -0.181 4.139 4.320 -0.000 0.000 0.205 89 K C 1.814 178.491 176.600 0.128 0.000 1.046 89 K CA 1.190 57.526 56.287 0.082 0.000 0.933 89 K CB -0.623 31.919 32.500 0.070 0.000 0.728 89 K HN 0.275 nan 8.250 nan 0.000 0.454 90 F N 0.340 120.305 119.950 0.024 0.000 2.293 90 F HA 0.030 4.557 4.527 0.000 0.000 0.297 90 F C 2.019 177.850 175.800 0.052 0.000 1.089 90 F CA 0.883 58.909 58.000 0.043 0.000 1.377 90 F CB -0.013 39.033 39.000 0.078 0.000 1.051 90 F HN -0.097 nan 8.300 nan 0.000 0.511 91 M N -0.116 119.521 119.600 0.061 0.000 2.098 91 M HA -0.175 4.305 4.480 -0.000 0.000 0.262 91 M C 1.821 178.078 176.300 -0.070 0.000 1.072 91 M CA 1.697 56.981 55.300 -0.027 0.000 1.133 91 M CB -0.500 32.149 32.600 0.082 0.000 1.344 91 M HN -0.049 nan 8.290 nan 0.000 0.414 92 D N 0.744 121.135 120.400 -0.014 0.000 2.133 92 D HA -0.180 4.460 4.640 -0.000 0.000 0.192 92 D C 1.828 178.094 176.300 -0.057 0.000 1.001 92 D CA 1.897 55.887 54.000 -0.016 0.000 0.844 92 D CB -0.265 40.540 40.800 0.007 0.000 0.944 92 D HN 0.372 nan 8.370 nan 0.000 0.447 93 A N -0.257 122.512 122.820 -0.085 0.000 2.121 93 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 93 A C 2.078 179.552 177.584 -0.185 0.000 1.154 93 A CA 1.375 53.342 52.037 -0.117 0.000 0.679 93 A CB -0.007 18.928 19.000 -0.107 0.000 0.795 93 A HN 0.159 nan 8.150 nan 0.000 0.458 94 S N -0.700 114.849 115.700 -0.251 0.000 2.539 94 S HA 0.502 4.972 4.470 -0.000 0.000 0.221 94 S C 0.898 175.413 174.600 -0.141 0.000 0.987 94 S CA 0.080 58.129 58.200 -0.252 0.000 0.929 94 S CB 0.010 62.955 63.200 -0.426 0.000 0.832 94 S HN 0.751 nan 8.310 nan 0.000 0.492 95 A N 1.470 124.230 122.820 -0.099 0.000 2.547 95 A HA 0.315 4.635 4.320 -0.000 0.000 0.233 95 A C 0.786 178.337 177.584 -0.056 0.000 1.067 95 A CA -0.143 51.856 52.037 -0.063 0.000 0.763 95 A CB -0.460 18.515 19.000 -0.042 0.000 1.007 95 A HN 0.761 nan 8.150 nan 0.000 0.506 96 L N 1.664 122.859 121.223 -0.047 0.000 3.833 96 L HA -0.231 4.109 4.340 -0.000 0.000 0.447 96 L C 0.703 177.548 176.870 -0.040 0.000 1.213 96 L CA 2.348 57.163 54.840 -0.041 0.000 0.801 96 L CB -1.821 40.218 42.059 -0.033 0.000 1.676 96 L HN 1.065 nan 8.230 nan 0.000 0.883 97 T N -2.803 111.723 114.554 -0.047 0.000 3.827 97 T HA 0.492 4.842 4.350 -0.000 0.000 0.307 97 T C 0.762 175.434 174.700 -0.047 0.000 0.930 97 T CA 0.308 62.381 62.100 -0.044 0.000 1.171 97 T CB 0.036 68.872 68.868 -0.054 0.000 1.092 97 T HN 1.651 nan 8.240 nan 0.000 0.489 98 G N 1.690 110.453 108.800 -0.062 0.000 2.716 98 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.686 98 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.686 98 G C -0.662 174.205 174.900 -0.055 0.000 1.337 98 G CA -0.710 44.357 45.100 -0.055 0.000 0.829 98 G HN 0.602 nan 8.290 nan 0.000 0.599 99 I N 3.182 123.732 120.570 -0.033 0.000 2.441 99 I HA 0.239 4.409 4.170 -0.000 0.000 0.287 99 I C -1.393 174.740 176.117 0.026 0.000 1.049 99 I CA -1.760 59.545 61.300 0.008 0.000 1.381 99 I CB 1.285 39.345 38.000 0.099 0.000 1.409 99 I HN 0.271 nan 8.210 nan 0.000 0.523 100 P HA 0.006 nan 4.420 nan 0.000 0.267 100 P C 0.735 178.053 177.300 0.030 0.000 1.209 100 P CA -0.122 62.989 63.100 0.018 0.000 0.763 100 P CB 0.813 32.520 31.700 0.010 0.000 0.816 101 L N 6.591 127.839 121.223 0.042 0.000 2.103 101 L HA -0.191 4.149 4.340 -0.000 0.000 0.215 101 L C -0.479 176.427 176.870 0.061 0.000 1.080 101 L CA 2.585 57.473 54.840 0.079 0.000 0.764 101 L CB -1.620 40.486 42.059 0.079 0.000 0.890 101 L HN 0.461 nan 8.230 nan 0.000 0.435 102 P HA -0.187 nan 4.420 nan 0.000 0.217 102 P C 1.843 179.125 177.300 -0.030 0.000 1.151 102 P CA 1.191 64.278 63.100 -0.021 0.000 0.828 102 P CB 0.017 31.699 31.700 -0.030 0.000 0.788 103 L N -0.621 120.569 121.223 -0.055 0.000 2.131 103 L HA 0.013 4.353 4.340 -0.000 0.000 0.206 103 L C 2.461 179.230 176.870 -0.169 0.000 1.087 103 L CA 1.338 56.064 54.840 -0.189 0.000 0.767 103 L CB -1.125 40.805 42.059 -0.215 0.000 0.917 103 L HN -0.224 nan 8.230 nan 0.000 0.441 104 I N -0.288 120.298 120.570 0.027 0.000 2.226 104 I HA -0.316 3.854 4.170 -0.000 0.000 0.245 104 I C 2.515 178.804 176.117 0.287 0.000 1.100 104 I CA 1.572 62.990 61.300 0.197 0.000 1.374 104 I CB -0.304 37.855 38.000 0.266 0.000 1.057 104 I HN 0.335 nan 8.210 nan 0.000 0.413 105 K N 0.293 120.837 120.400 0.240 0.000 2.097 105 K HA -0.171 4.149 4.320 -0.000 0.000 0.205 105 K C 2.317 179.106 176.600 0.314 0.000 1.050 105 K CA 1.430 57.883 56.287 0.277 0.000 0.938 105 K CB 0.009 32.499 32.500 -0.017 0.000 0.718 105 K HN 0.119 nan 8.250 nan 0.000 0.442 106 S N -0.164 115.651 115.700 0.192 0.000 2.349 106 S HA -0.179 4.291 4.470 -0.000 0.000 0.216 106 S C 1.826 176.661 174.600 0.392 0.000 1.033 106 S CA 1.168 59.507 58.200 0.231 0.000 1.021 106 S CB -0.515 62.743 63.200 0.097 0.000 0.968 106 S HN 0.379 nan 8.310 nan 0.000 0.426 107 Y N 1.126 121.522 120.300 0.160 0.000 2.132 107 Y HA -0.139 4.411 4.550 -0.000 0.000 0.280 107 Y C 2.354 178.329 175.900 0.124 0.000 1.193 107 Y CA 1.087 59.259 58.100 0.119 0.000 1.157 107 Y CB -1.223 37.302 38.460 0.108 0.000 0.966 107 Y HN 0.330 nan 8.280 nan 0.000 0.511 108 L N -1.407 120.027 121.223 0.351 0.000 2.313 108 L HA -0.083 4.257 4.340 -0.000 0.000 0.214 108 L C 2.073 179.067 176.870 0.206 0.000 1.119 108 L CA 1.029 56.006 54.840 0.228 0.000 0.809 108 L CB -0.756 41.370 42.059 0.111 0.000 0.933 108 L HN 0.064 nan 8.230 nan 0.000 0.449 109 F N 0.108 120.125 119.950 0.112 0.000 2.098 109 F HA -0.160 4.367 4.527 -0.000 0.000 0.294 109 F C 2.408 178.120 175.800 -0.146 0.000 1.107 109 F CA 1.741 59.608 58.000 -0.221 0.000 1.234 109 F CB -0.360 38.610 39.000 -0.049 0.000 1.002 109 F HN 0.153 nan 8.300 nan 0.000 0.472 110 Q N 0.252 120.055 119.800 0.005 0.000 2.030 110 Q HA -0.214 4.126 4.340 -0.000 0.000 0.204 110 Q C 2.330 178.250 176.000 -0.134 0.000 0.986 110 Q CA 2.231 57.987 55.803 -0.078 0.000 0.843 110 Q CB -0.543 28.225 28.738 0.050 0.000 0.904 110 Q HN 0.442 nan 8.270 nan 0.000 0.420 111 L N 0.394 121.565 121.223 -0.087 0.000 2.079 111 L HA -0.227 4.113 4.340 -0.000 0.000 0.210 111 L C 2.299 179.070 176.870 -0.165 0.000 1.081 111 L CA 0.955 55.727 54.840 -0.113 0.000 0.752 111 L CB -0.428 41.581 42.059 -0.084 0.000 0.896 111 L HN 0.251 nan 8.230 nan 0.000 0.433 112 L N -1.040 120.057 121.223 -0.211 0.000 2.217 112 L HA -0.191 4.149 4.340 -0.000 0.000 0.211 112 L C 2.603 179.298 176.870 -0.292 0.000 1.107 112 L CA 0.638 55.330 54.840 -0.247 0.000 0.783 112 L CB -0.217 41.665 42.059 -0.296 0.000 0.919 112 L HN 0.278 nan 8.230 nan 0.000 0.442 113 Q N -0.048 119.542 119.800 -0.350 0.000 1.993 113 Q HA -0.134 4.206 4.340 -0.000 0.000 0.202 113 Q C 2.205 177.975 176.000 -0.383 0.000 0.984 113 Q CA 2.069 57.684 55.803 -0.313 0.000 0.837 113 Q CB -0.620 27.987 28.738 -0.218 0.000 0.902 113 Q HN 0.437 nan 8.270 nan 0.000 0.423 114 G N 0.325 108.902 108.800 -0.371 0.000 2.446 114 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.217 114 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.217 114 G C 1.351 176.125 174.900 -0.210 0.000 1.168 114 G CA 0.959 45.811 45.100 -0.414 0.000 0.771 114 G HN 0.335 nan 8.290 nan 0.000 0.551 115 L N 1.362 122.469 121.223 -0.193 0.000 1.989 115 L HA 0.060 4.400 4.340 -0.000 0.000 0.211 115 L C 3.101 179.761 176.870 -0.351 0.000 1.071 115 L CA 2.339 57.021 54.840 -0.262 0.000 0.749 115 L CB -0.629 41.256 42.059 -0.290 0.000 0.890 115 L HN 0.241 nan 8.230 nan 0.000 0.431 116 A N -1.602 121.081 122.820 -0.228 0.000 2.070 116 A HA -0.229 4.091 4.320 -0.000 0.000 0.220 116 A C 2.151 179.760 177.584 0.041 0.000 1.159 116 A CA 1.571 53.548 52.037 -0.100 0.000 0.656 116 A CB -1.014 17.958 19.000 -0.046 0.000 0.800 116 A HN 0.546 nan 8.150 nan 0.000 0.453 117 F N -0.008 119.848 119.950 -0.157 0.000 2.128 117 F HA -0.139 4.388 4.527 -0.000 0.000 0.295 117 F C 2.495 178.351 175.800 0.093 0.000 1.100 117 F CA 1.099 59.060 58.000 -0.066 0.000 1.260 117 F CB -0.818 37.977 39.000 -0.342 0.000 1.009 117 F HN 0.296 nan 8.300 nan 0.000 0.476 118 C N 0.362 119.672 119.300 0.017 0.000 2.388 118 C HA -0.254 4.206 4.460 -0.000 0.000 0.277 118 C C 2.769 177.898 174.990 0.231 0.000 1.210 118 C CA 1.519 60.600 59.018 0.106 0.000 1.743 118 C CB -1.591 26.300 27.740 0.252 0.000 2.047 118 C HN 0.519 nan 8.230 nan 0.000 0.458 119 H N 1.434 120.592 119.070 0.146 0.000 2.353 119 H HA -0.105 4.451 4.556 -0.000 0.000 0.298 119 H C 2.520 177.896 175.328 0.081 0.000 1.103 119 H CA 2.097 58.275 56.048 0.218 0.000 1.293 119 H CB -1.004 28.883 29.762 0.208 0.000 1.372 119 H HN 0.633 nan 8.280 nan 0.000 0.501 120 S N 0.106 115.887 115.700 0.134 0.000 2.507 120 S HA -0.115 4.355 4.470 -0.000 0.000 0.235 120 S C 0.820 175.185 174.600 -0.393 0.000 0.988 120 S CA 0.831 58.985 58.200 -0.077 0.000 0.944 120 S CB -0.307 62.864 63.200 -0.049 0.000 0.762 120 S HN 0.504 nan 8.310 nan 0.000 0.526 121 H N 1.734 120.648 119.070 -0.260 0.000 2.472 121 H HA 0.411 4.967 4.556 -0.000 0.000 0.287 121 H C 0.288 175.443 175.328 -0.289 0.000 1.112 121 H CA -0.267 55.600 56.048 -0.301 0.000 1.021 121 H CB -0.082 29.425 29.762 -0.426 0.000 1.635 121 H HN 0.470 nan 8.280 nan 0.000 0.559 122 R N -1.507 118.753 120.500 -0.401 0.000 3.387 122 R HA -0.156 4.184 4.340 -0.000 0.000 0.254 122 R C -1.379 174.693 176.300 -0.380 0.000 1.006 122 R CA 0.541 56.097 56.100 -0.906 0.000 0.677 122 R CB -3.130 26.626 30.300 -0.906 0.000 1.063 122 R HN 0.125 nan 8.270 nan 0.000 0.453 123 V N 0.963 120.946 119.914 0.114 0.000 2.540 123 V HA 0.500 4.620 4.120 -0.000 0.000 0.302 123 V C 0.351 176.761 176.094 0.526 0.000 1.035 123 V CA -0.917 61.572 62.300 0.314 0.000 0.873 123 V CB 1.998 33.972 31.823 0.251 0.000 0.992 123 V HN 0.300 nan 8.190 nan 0.000 0.428 124 L N 3.825 125.279 121.223 0.386 0.000 2.307 124 L HA 0.485 4.825 4.340 -0.000 0.000 0.284 124 L C 1.288 178.245 176.870 0.144 0.000 1.023 124 L CA -0.675 54.300 54.840 0.224 0.000 0.810 124 L CB 1.355 43.424 42.059 0.017 0.000 1.231 124 L HN 0.753 nan 8.230 nan 0.000 0.423 125 H N 4.435 123.528 119.070 0.038 0.000 2.333 125 H HA -0.003 4.553 4.556 -0.000 0.000 0.302 125 H C 0.965 176.179 175.328 -0.191 0.000 1.075 125 H CA 1.557 57.479 56.048 -0.210 0.000 1.348 125 H CB 0.515 30.084 29.762 -0.321 0.000 1.393 125 H HN 0.607 nan 8.280 nan 0.000 0.509 126 R N -0.537 120.034 120.500 0.118 0.000 3.977 126 R HA -0.197 4.143 4.340 -0.000 0.000 0.428 126 R C -0.525 175.820 176.300 0.075 0.000 1.079 126 R CA 1.265 57.379 56.100 0.023 0.000 1.269 126 R CB -1.571 28.630 30.300 -0.166 0.000 1.856 126 R HN 0.352 nan 8.270 nan 0.000 0.551 127 D N 0.290 120.798 120.400 0.180 0.000 3.100 127 D HA 0.238 4.878 4.640 -0.000 0.000 0.350 127 D C -0.804 175.401 176.300 -0.158 0.000 1.310 127 D CA -0.180 53.855 54.000 0.058 0.000 0.741 127 D CB 0.298 41.142 40.800 0.073 0.000 1.248 127 D HN 0.087 nan 8.370 nan 0.000 0.527 128 L N 2.275 123.339 121.223 -0.265 0.000 2.278 128 L HA 0.389 4.729 4.340 -0.000 0.000 0.287 128 L C 0.374 177.002 176.870 -0.402 0.000 1.072 128 L CA 0.063 54.645 54.840 -0.430 0.000 0.819 128 L CB 0.435 42.281 42.059 -0.356 0.000 1.176 128 L HN 0.133 nan 8.230 nan 0.000 0.435 129 K N 2.593 122.709 120.400 -0.474 0.000 2.575 129 K HA 0.470 4.790 4.320 -0.000 0.000 0.279 129 K C -2.829 173.518 176.600 -0.421 0.000 0.969 129 K CA -1.585 54.277 56.287 -0.708 0.000 0.868 129 K CB 1.799 33.960 32.500 -0.565 0.000 1.457 129 K HN -0.119 nan 8.250 nan 0.000 0.426 130 P HA -0.249 nan 4.420 nan 0.000 0.216 130 P C 0.832 178.060 177.300 -0.120 0.000 1.150 130 P CA 1.396 64.403 63.100 -0.155 0.000 0.843 130 P CB 0.099 31.777 31.700 -0.036 0.000 0.787 131 Q N -1.494 118.237 119.800 -0.115 0.000 2.541 131 Q HA -0.047 4.293 4.340 -0.000 0.000 0.215 131 Q C 0.523 176.451 176.000 -0.120 0.000 0.977 131 Q CA 1.093 56.839 55.803 -0.095 0.000 0.934 131 Q CB -0.894 27.795 28.738 -0.081 0.000 0.988 131 Q HN 0.273 nan 8.270 nan 0.000 0.521 132 N N 0.377 118.984 118.700 -0.156 0.000 2.235 132 N HA 0.269 5.009 4.740 -0.000 0.000 0.209 132 N C -0.686 174.725 175.510 -0.165 0.000 1.122 132 N CA 0.111 53.068 53.050 -0.156 0.000 0.845 132 N CB 0.646 39.031 38.487 -0.170 0.000 1.004 132 N HN 0.207 nan 8.380 nan 0.000 0.499 133 L N 1.087 122.209 121.223 -0.168 0.000 2.325 133 L HA 0.498 4.838 4.340 -0.000 0.000 0.281 133 L C -0.604 176.160 176.870 -0.177 0.000 1.004 133 L CA -0.683 54.052 54.840 -0.175 0.000 0.823 133 L CB 1.791 43.735 42.059 -0.192 0.000 1.236 133 L HN -0.238 nan 8.230 nan 0.000 0.415 134 L N 4.752 125.868 121.223 -0.179 0.000 2.322 134 L HA 0.627 4.967 4.340 -0.000 0.000 0.279 134 L C -0.183 176.551 176.870 -0.226 0.000 1.036 134 L CA -0.486 54.237 54.840 -0.195 0.000 0.807 134 L CB 1.839 43.777 42.059 -0.202 0.000 1.226 134 L HN 0.506 nan 8.230 nan 0.000 0.433 135 I N -0.447 119.990 120.570 -0.221 0.000 2.740 135 I HA 0.688 4.858 4.170 -0.000 0.000 0.303 135 I C -0.821 175.263 176.117 -0.056 0.000 1.044 135 I CA -0.694 60.476 61.300 -0.217 0.000 1.064 135 I CB 2.024 39.824 38.000 -0.334 0.000 1.249 135 I HN 0.589 nan 8.210 nan 0.000 0.433 136 N N 1.120 119.848 118.700 0.045 0.000 2.653 136 N HA 0.364 5.104 4.740 -0.000 0.000 0.294 136 N C 0.737 176.347 175.510 0.168 0.000 1.305 136 N CA -0.184 53.064 53.050 0.330 0.000 0.827 136 N CB 0.420 39.076 38.487 0.281 0.000 1.415 136 N HN 0.795 nan 8.380 nan 0.000 0.546 137 T N -3.034 111.560 114.554 0.067 0.000 2.665 137 T HA -0.251 4.099 4.350 -0.000 0.000 0.268 137 T C 0.615 175.338 174.700 0.038 0.000 1.035 137 T CA 1.644 63.714 62.100 -0.049 0.000 1.151 137 T CB -0.563 68.218 68.868 -0.146 0.000 0.862 137 T HN 0.731 nan 8.240 nan 0.000 0.438 138 E N 2.375 122.617 120.200 0.069 0.000 2.044 138 E HA 0.437 4.787 4.350 -0.000 0.000 0.282 138 E C 1.074 177.727 176.600 0.088 0.000 1.031 138 E CA -0.372 56.070 56.400 0.069 0.000 0.824 138 E CB 0.082 29.820 29.700 0.065 0.000 1.076 138 E HN 0.379 nan 8.360 nan 0.000 0.395 139 G N 3.912 112.770 108.800 0.098 0.000 2.276 139 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.311 139 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.311 139 G C 0.342 175.383 174.900 0.235 0.000 0.726 139 G CA 0.796 45.996 45.100 0.167 0.000 0.792 139 G HN 0.724 nan 8.290 nan 0.000 0.482 140 A N -0.672 122.232 122.820 0.140 0.000 2.317 140 A HA 0.799 5.119 4.320 -0.000 0.000 0.327 140 A C -0.308 177.228 177.584 -0.079 0.000 1.178 140 A CA -0.755 51.320 52.037 0.064 0.000 0.817 140 A CB 1.391 20.414 19.000 0.037 0.000 1.189 140 A HN 0.731 nan 8.150 nan 0.000 0.489 141 I N 1.271 121.740 120.570 -0.167 0.000 2.646 141 I HA 0.609 4.779 4.170 -0.000 0.000 0.299 141 I C -0.797 175.218 176.117 -0.170 0.000 1.036 141 I CA -0.456 60.642 61.300 -0.337 0.000 1.074 141 I CB 1.797 39.404 38.000 -0.656 0.000 1.258 141 I HN 0.667 nan 8.210 nan 0.000 0.430 142 K N 7.191 127.499 120.400 -0.154 0.000 2.502 142 K HA 0.462 4.782 4.320 -0.000 0.000 0.257 142 K C -1.530 175.042 176.600 -0.047 0.000 0.938 142 K CA -0.879 55.367 56.287 -0.068 0.000 0.819 142 K CB 2.238 34.719 32.500 -0.032 0.000 1.333 142 K HN 0.510 nan 8.250 nan 0.000 0.434 143 L N 2.245 123.486 121.223 0.029 0.000 2.462 143 L HA 0.250 4.590 4.340 -0.000 0.000 0.272 143 L C 0.362 177.367 176.870 0.225 0.000 1.166 143 L CA 0.042 54.934 54.840 0.087 0.000 0.880 143 L CB 0.388 42.575 42.059 0.213 0.000 1.142 143 L HN 0.764 nan 8.230 nan 0.000 0.473 144 A N 2.593 125.490 122.820 0.128 0.000 2.437 144 A HA 0.526 4.846 4.320 -0.000 0.000 0.288 144 A C -0.378 177.297 177.584 0.152 0.000 1.201 144 A CA -0.461 51.653 52.037 0.129 0.000 0.795 144 A CB 1.146 20.109 19.000 -0.061 0.000 1.359 144 A HN 0.762 nan 8.150 nan 0.000 0.435 145 D N -1.285 119.148 120.400 0.055 0.000 3.729 145 D HA -0.133 4.507 4.640 -0.000 0.000 0.242 145 D C -0.927 175.277 176.300 -0.160 0.000 1.091 145 D CA 0.619 54.609 54.000 -0.016 0.000 1.096 145 D CB -0.732 40.046 40.800 -0.037 0.000 0.901 145 D HN 0.423 nan 8.370 nan 0.000 0.416 146 F N 0.112 119.944 119.950 -0.196 0.000 2.668 146 F HA 0.286 4.813 4.527 -0.000 0.000 0.297 146 F C 2.144 177.845 175.800 -0.164 0.000 1.124 146 F CA 0.255 58.083 58.000 -0.286 0.000 1.353 146 F CB 0.606 39.499 39.000 -0.177 0.000 0.992 146 F HN 0.325 nan 8.300 nan 0.000 0.524 147 G N 0.079 108.860 108.800 -0.031 0.000 2.422 147 G HA2 -0.160 3.800 3.960 -0.000 0.000 0.218 147 G HA3 -0.160 3.800 3.960 -0.000 0.000 0.218 147 G C 1.600 176.472 174.900 -0.046 0.000 1.146 147 G CA 0.450 45.526 45.100 -0.040 0.000 0.769 147 G HN 0.286 nan 8.290 nan 0.000 0.547 148 L N 0.686 121.853 121.223 -0.092 0.000 2.446 148 L HA 0.264 4.604 4.340 -0.000 0.000 0.219 148 L C 1.938 178.753 176.870 -0.092 0.000 1.116 148 L CA 0.286 55.081 54.840 -0.074 0.000 0.844 148 L CB -0.840 41.177 42.059 -0.071 0.000 0.970 148 L HN 0.253 nan 8.230 nan 0.000 0.457 149 A N 1.402 124.146 122.820 -0.127 0.000 2.561 149 A HA 0.167 4.487 4.320 -0.000 0.000 0.234 149 A C 0.287 177.885 177.584 0.022 0.000 1.055 149 A CA 0.487 52.484 52.037 -0.066 0.000 0.756 149 A CB 0.110 19.131 19.000 0.033 0.000 0.986 149 A HN 0.272 nan 8.150 nan 0.000 0.505 150 R N 0.661 121.189 120.500 0.047 0.000 2.673 150 R HA 0.582 4.922 4.340 -0.000 0.000 0.281 150 R C -0.605 175.794 176.300 0.165 0.000 0.991 150 R CA -0.413 55.734 56.100 0.077 0.000 0.896 150 R CB 2.279 32.596 30.300 0.029 0.000 1.201 150 R HN 0.870 nan 8.270 nan 0.000 0.457 151 A N 3.277 126.181 122.820 0.139 0.000 2.328 151 A HA 0.501 4.821 4.320 -0.000 0.000 0.284 151 A C 0.139 177.845 177.584 0.203 0.000 1.160 151 A CA -0.463 51.650 52.037 0.127 0.000 0.818 151 A CB -0.025 18.995 19.000 0.034 0.000 1.087 151 A HN 0.546 nan 8.150 nan 0.000 0.504 152 F N 1.189 121.139 119.950 0.001 0.000 2.310 152 F HA 0.733 5.260 4.527 -0.000 0.000 0.209 152 F C 1.595 177.382 175.800 -0.020 0.000 0.781 152 F CA -0.578 57.414 58.000 -0.013 0.000 1.090 152 F CB -0.909 38.077 39.000 -0.024 0.000 2.167 152 F HN 1.056 nan 8.300 nan 0.000 0.662 153 G N -0.985 107.805 108.800 -0.016 0.000 2.345 153 G HA2 -0.146 3.814 3.960 -0.000 0.000 0.218 153 G HA3 -0.146 3.814 3.960 -0.000 0.000 0.218 153 G C -0.564 174.331 174.900 -0.007 0.000 1.058 153 G CA 0.050 45.102 45.100 -0.080 0.000 0.632 153 G HN 0.856 nan 8.290 nan 0.000 0.508 154 V N 2.631 122.565 119.914 0.033 0.000 2.668 154 V HA 0.589 4.709 4.120 -0.000 0.000 0.304 154 V C -2.225 173.890 176.094 0.035 0.000 1.071 154 V CA -1.396 60.913 62.300 0.015 0.000 0.894 154 V CB 2.223 34.053 31.823 0.012 0.000 1.008 154 V HN 0.217 nan 8.190 nan 0.000 0.425 155 P HA 0.016 nan 4.420 nan 0.000 0.261 155 P C -0.589 176.733 177.300 0.037 0.000 1.165 155 P CA 0.262 63.285 63.100 -0.127 0.000 0.759 155 P CB 0.261 31.610 31.700 -0.585 0.000 0.772 156 V N 5.444 125.452 119.914 0.157 0.000 2.432 156 V HA 0.181 4.301 4.120 -0.000 0.000 0.271 156 V C 0.751 177.161 176.094 0.527 0.000 1.046 156 V CA -0.304 62.162 62.300 0.278 0.000 0.945 156 V CB 0.605 32.547 31.823 0.199 0.000 0.992 156 V HN 0.462 nan 8.190 nan 0.000 0.471 157 R N 2.679 123.451 120.500 0.454 0.000 2.441 157 R HA 0.423 4.763 4.340 -0.000 0.000 0.284 157 R C 0.492 176.991 176.300 0.331 0.000 1.070 157 R CA -0.412 55.883 56.100 0.324 0.000 1.047 157 R CB 0.096 30.500 30.300 0.173 0.000 1.016 157 R HN 0.819 nan 8.270 nan 0.000 0.477 158 T N 0.060 114.697 114.554 0.139 0.000 2.853 158 T HA 0.085 4.435 4.350 -0.000 0.000 0.298 158 T C -0.481 174.392 174.700 0.288 0.000 0.978 158 T CA -0.188 62.000 62.100 0.147 0.000 1.152 158 T CB 0.215 68.931 68.868 -0.253 0.000 0.914 158 T HN 0.423 nan 8.240 nan 0.000 0.539 159 Y N 3.228 123.684 120.300 0.260 0.000 2.331 159 Y HA 0.381 4.931 4.550 -0.000 0.000 0.334 159 Y C 1.510 177.448 175.900 0.063 0.000 0.960 159 Y CA -1.461 56.718 58.100 0.132 0.000 1.130 159 Y CB 1.535 40.079 38.460 0.141 0.000 1.164 159 Y HN 0.930 nan 8.280 nan 0.000 0.458 160 T N 1.252 115.624 114.554 -0.304 0.000 2.649 160 T HA -0.264 4.086 4.350 -0.000 0.000 0.268 160 T C 1.066 175.148 174.700 -1.031 0.000 1.036 160 T CA 2.283 64.008 62.100 -0.625 0.000 1.157 160 T CB -0.451 68.087 68.868 -0.550 0.000 0.861 160 T HN 0.806 nan 8.240 nan 0.000 0.445 161 H N 0.565 118.698 119.070 -1.561 0.000 2.551 161 H HA 0.369 4.925 4.556 -0.000 0.000 0.271 161 H C 0.767 175.736 175.328 -0.599 0.000 0.984 161 H CA 0.272 55.771 56.048 -0.916 0.000 1.164 161 H CB 0.305 29.799 29.762 -0.446 0.000 1.437 161 H HN 0.629 nan 8.280 nan 0.000 0.550 162 E N 1.461 121.318 120.200 -0.572 0.000 2.736 162 E HA 0.154 4.504 4.350 -0.000 0.000 0.208 162 E C -0.182 176.439 176.600 0.035 0.000 0.996 162 E CA -0.216 56.212 56.400 0.046 0.000 1.104 162 E CB 0.818 30.796 29.700 0.464 0.000 1.111 162 E HN 0.092 nan 8.360 nan 0.000 0.455 163 V N -1.730 118.172 119.914 -0.019 0.000 2.966 163 V HA 0.421 4.541 4.120 -0.000 0.000 0.317 163 V C 0.906 177.043 176.094 0.071 0.000 1.070 163 V CA -1.136 61.218 62.300 0.091 0.000 1.008 163 V CB 1.256 33.107 31.823 0.046 0.000 1.070 163 V HN -0.163 nan 8.190 nan 0.000 0.457 164 V N 0.438 120.428 119.914 0.126 0.000 3.287 164 V HA 0.124 4.244 4.120 -0.000 0.000 0.306 164 V C 1.003 177.168 176.094 0.119 0.000 1.103 164 V CA -0.110 62.267 62.300 0.129 0.000 1.159 164 V CB 0.046 31.985 31.823 0.193 0.000 1.036 164 V HN 1.043 nan 8.190 nan 0.000 0.487 165 T N 2.809 117.452 114.554 0.148 0.000 2.946 165 T HA 0.063 4.413 4.350 -0.000 0.000 0.311 165 T C 1.070 175.882 174.700 0.186 0.000 1.063 165 T CA -0.058 62.124 62.100 0.138 0.000 1.139 165 T CB 0.480 69.473 68.868 0.209 0.000 0.994 165 T HN 0.629 nan 8.240 nan 0.000 0.547 166 L N 3.030 124.323 121.223 0.117 0.000 2.021 166 L HA -0.113 4.227 4.340 -0.000 0.000 0.215 166 L C 1.876 178.908 176.870 0.270 0.000 1.074 166 L CA 1.957 56.896 54.840 0.165 0.000 0.760 166 L CB -0.581 41.570 42.059 0.153 0.000 0.889 166 L HN 0.752 nan 8.230 nan 0.000 0.433 167 W N -0.786 120.463 121.300 -0.086 0.000 2.325 167 W HA -0.220 4.440 4.660 -0.000 0.000 0.299 167 W C 2.065 178.350 176.519 -0.391 0.000 1.215 167 W CA 1.155 58.305 57.345 -0.326 0.000 1.244 167 W CB -1.205 27.878 29.460 -0.628 0.000 1.140 167 W HN 0.272 nan 8.180 nan 0.000 0.523 168 Y N -0.854 119.681 120.300 0.393 0.000 2.524 168 Y HA 0.259 4.809 4.550 -0.000 0.000 0.266 168 Y C 1.241 177.362 175.900 0.368 0.000 1.180 168 Y CA -0.582 57.739 58.100 0.368 0.000 1.244 168 Y CB -0.576 38.033 38.460 0.248 0.000 1.125 168 Y HN -0.305 nan 8.280 nan 0.000 0.524 169 R N 1.662 122.356 120.500 0.322 0.000 2.490 169 R HA 0.588 4.928 4.340 -0.000 0.000 0.280 169 R C -0.098 176.104 176.300 -0.162 0.000 1.077 169 R CA -0.210 55.969 56.100 0.131 0.000 1.065 169 R CB 0.504 30.846 30.300 0.070 0.000 1.003 169 R HN 0.211 nan 8.270 nan 0.000 0.470 170 A N 5.803 128.404 122.820 -0.365 0.000 2.316 170 A HA 0.341 4.661 4.320 -0.000 0.000 0.284 170 A C -1.709 175.510 177.584 -0.609 0.000 1.115 170 A CA -1.680 49.798 52.037 -0.932 0.000 0.812 170 A CB 0.546 19.189 19.000 -0.595 0.000 1.064 170 A HN 0.746 nan 8.150 nan 0.000 0.489 171 P HA -0.212 nan 4.420 nan 0.000 0.216 171 P C 0.684 178.062 177.300 0.130 0.000 1.150 171 P CA 1.631 64.627 63.100 -0.173 0.000 0.843 171 P CB 0.164 31.909 31.700 0.075 0.000 0.787 172 E N -0.076 120.195 120.200 0.119 0.000 2.085 172 E HA -0.153 4.197 4.350 -0.000 0.000 0.194 172 E C 2.222 178.853 176.600 0.052 0.000 0.994 172 E CA 1.097 57.643 56.400 0.244 0.000 0.801 172 E CB -0.875 28.868 29.700 0.072 0.000 0.743 172 E HN 0.313 nan 8.360 nan 0.000 0.453 173 I N 0.492 121.016 120.570 -0.077 0.000 2.163 173 I HA -0.254 3.916 4.170 -0.000 0.000 0.240 173 I C 2.278 178.350 176.117 -0.074 0.000 1.081 173 I CA 0.985 62.208 61.300 -0.128 0.000 1.353 173 I CB -0.418 37.490 38.000 -0.155 0.000 1.054 173 I HN 0.076 nan 8.210 nan 0.000 0.407 174 L N 0.610 121.794 121.223 -0.065 0.000 2.013 174 L HA -0.230 4.110 4.340 -0.000 0.000 0.212 174 L C 2.247 179.128 176.870 0.018 0.000 1.073 174 L CA 1.456 56.273 54.840 -0.038 0.000 0.753 174 L CB -0.600 41.414 42.059 -0.074 0.000 0.890 174 L HN 0.290 nan 8.230 nan 0.000 0.432 175 L N 0.352 121.614 121.223 0.064 0.000 2.711 175 L HA 0.055 4.395 4.340 -0.000 0.000 0.242 175 L C 1.141 178.031 176.870 0.033 0.000 1.153 175 L CA 0.334 55.227 54.840 0.088 0.000 0.898 175 L CB -1.076 41.041 42.059 0.097 0.000 1.044 175 L HN 0.532 nan 8.230 nan 0.000 0.437 176 G N 0.711 109.510 108.800 -0.001 0.000 2.272 176 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.280 176 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.280 176 G C 0.430 175.298 174.900 -0.053 0.000 1.067 176 G CA 0.074 45.153 45.100 -0.035 0.000 0.902 176 G HN 0.554 nan 8.290 nan 0.000 0.500 177 C N -1.193 118.076 119.300 -0.052 0.000 2.689 177 C HA 0.615 5.075 4.460 -0.000 0.000 0.409 177 C C 1.998 176.904 174.990 -0.140 0.000 1.293 177 C CA 0.170 59.154 59.018 -0.056 0.000 2.136 177 C CB 1.201 28.930 27.740 -0.018 0.000 2.719 177 C HN 0.629 nan 8.230 nan 0.000 0.644 178 K N 0.407 120.710 120.400 -0.161 0.000 2.116 178 K HA 0.039 4.359 4.320 -0.000 0.000 0.203 178 K C -0.220 176.070 176.600 -0.517 0.000 1.052 178 K CA 1.121 57.198 56.287 -0.350 0.000 0.952 178 K CB 0.020 32.273 32.500 -0.411 0.000 0.729 178 K HN 0.800 nan 8.250 nan 0.000 0.446 179 Y N -1.424 118.840 120.300 -0.059 0.000 2.602 179 Y HA 0.286 4.836 4.550 -0.000 0.000 0.342 179 Y C -0.578 175.248 175.900 -0.124 0.000 1.029 179 Y CA -1.250 56.829 58.100 -0.036 0.000 1.080 179 Y CB 0.906 39.375 38.460 0.015 0.000 1.284 179 Y HN -0.154 nan 8.280 nan 0.000 0.485 180 Y N 0.659 121.058 120.300 0.165 0.000 2.307 180 Y HA 0.450 5.000 4.550 -0.000 0.000 0.324 180 Y C 0.591 176.454 175.900 -0.063 0.000 1.238 180 Y CA 0.206 58.325 58.100 0.031 0.000 1.280 180 Y CB 1.499 39.962 38.460 0.005 0.000 1.248 180 Y HN 0.539 nan 8.280 nan 0.000 0.508 181 S N -1.146 114.574 115.700 0.034 0.000 2.661 181 S HA 0.256 4.726 4.470 -0.000 0.000 0.285 181 S C 0.683 175.152 174.600 -0.218 0.000 1.138 181 S CA -0.138 57.978 58.200 -0.139 0.000 0.855 181 S CB 1.062 64.217 63.200 -0.076 0.000 1.136 181 S HN 0.741 nan 8.310 nan 0.000 0.484 182 T N -0.383 113.939 114.554 -0.388 0.000 2.881 182 T HA -0.030 4.320 4.350 -0.000 0.000 0.270 182 T C 2.068 176.714 174.700 -0.089 0.000 1.068 182 T CA 1.389 63.208 62.100 -0.468 0.000 1.131 182 T CB -1.079 67.430 68.868 -0.598 0.000 0.871 182 T HN 1.073 nan 8.240 nan 0.000 0.479 183 A N 2.295 125.097 122.820 -0.029 0.000 1.917 183 A HA -0.059 4.261 4.320 -0.000 0.000 0.219 183 A C 2.773 180.443 177.584 0.142 0.000 1.182 183 A CA 2.339 54.416 52.037 0.066 0.000 0.633 183 A CB -1.413 17.603 19.000 0.026 0.000 0.819 183 A HN 0.945 nan 8.150 nan 0.000 0.448 184 V N -1.594 118.388 119.914 0.113 0.000 2.380 184 V HA -0.283 3.837 4.120 -0.000 0.000 0.251 184 V C 1.782 178.019 176.094 0.239 0.000 1.063 184 V CA 2.744 65.148 62.300 0.173 0.000 1.055 184 V CB -0.891 31.053 31.823 0.202 0.000 0.657 184 V HN 0.460 nan 8.190 nan 0.000 0.455 185 D N 0.126 120.650 120.400 0.207 0.000 2.144 185 D HA -0.043 4.597 4.640 -0.000 0.000 0.200 185 D C 2.175 178.600 176.300 0.209 0.000 0.978 185 D CA 1.382 55.512 54.000 0.217 0.000 0.833 185 D CB -0.067 40.921 40.800 0.313 0.000 0.961 185 D HN 0.436 nan 8.370 nan 0.000 0.470 186 I N 0.718 121.426 120.570 0.231 0.000 2.202 186 I HA -0.216 3.954 4.170 -0.000 0.000 0.242 186 I C 2.341 178.573 176.117 0.191 0.000 1.091 186 I CA 0.667 62.074 61.300 0.179 0.000 1.368 186 I CB -1.153 36.947 38.000 0.167 0.000 1.058 186 I HN 0.277 nan 8.210 nan 0.000 0.410 187 W N 1.962 123.315 121.300 0.089 0.000 2.301 187 W HA -0.331 4.329 4.660 -0.000 0.000 0.325 187 W C 2.572 179.178 176.519 0.144 0.000 1.250 187 W CA 2.384 59.790 57.345 0.102 0.000 1.261 187 W CB -0.546 28.967 29.460 0.088 0.000 1.157 187 W HN 0.131 nan 8.180 nan 0.000 0.473 188 S N 1.115 117.047 115.700 0.386 0.000 2.387 188 S HA -0.235 4.235 4.470 -0.000 0.000 0.230 188 S C 1.676 176.361 174.600 0.141 0.000 1.035 188 S CA 1.637 60.023 58.200 0.310 0.000 1.014 188 S CB -0.754 62.577 63.200 0.218 0.000 0.836 188 S HN 0.148 nan 8.310 nan 0.000 0.466 189 L N 1.577 122.846 121.223 0.076 0.000 2.141 189 L HA 0.079 4.419 4.340 -0.000 0.000 0.209 189 L C 2.448 179.357 176.870 0.065 0.000 1.094 189 L CA 1.407 56.271 54.840 0.039 0.000 0.763 189 L CB -1.424 40.642 42.059 0.013 0.000 0.908 189 L HN 0.365 nan 8.230 nan 0.000 0.437 190 G N -1.468 107.333 108.800 0.002 0.000 2.433 190 G HA2 -0.268 3.692 3.960 -0.000 0.000 0.216 190 G HA3 -0.268 3.692 3.960 -0.000 0.000 0.216 190 G C 1.684 176.545 174.900 -0.064 0.000 1.186 190 G CA 1.034 46.113 45.100 -0.036 0.000 0.779 190 G HN 0.471 nan 8.290 nan 0.000 0.543 191 C N 0.594 119.825 119.300 -0.116 0.000 2.413 191 C HA -0.001 4.459 4.460 -0.000 0.000 0.276 191 C C 2.846 177.886 174.990 0.084 0.000 1.248 191 C CA 0.562 59.549 59.018 -0.052 0.000 1.742 191 C CB -1.054 26.770 27.740 0.140 0.000 2.017 191 C HN 0.471 nan 8.230 nan 0.000 0.481 192 I N -0.095 120.579 120.570 0.172 0.000 2.394 192 I HA -0.158 4.012 4.170 -0.000 0.000 0.251 192 I C 2.460 178.693 176.117 0.192 0.000 1.136 192 I CA 1.251 62.653 61.300 0.169 0.000 1.425 192 I CB -0.578 37.468 38.000 0.076 0.000 1.079 192 I HN 0.238 nan 8.210 nan 0.000 0.425 193 F N 2.421 122.361 119.950 -0.016 0.000 2.051 193 F HA -0.182 4.345 4.527 0.000 0.000 0.296 193 F C 2.528 178.289 175.800 -0.066 0.000 1.122 193 F CA 1.298 59.283 58.000 -0.026 0.000 1.201 193 F CB -0.903 38.056 39.000 -0.069 0.000 0.978 193 F HN 0.015 nan 8.300 nan 0.000 0.472 194 A N 0.169 122.841 122.820 -0.247 0.000 1.865 194 A HA -0.296 4.024 4.320 -0.000 0.000 0.217 194 A C 2.265 179.699 177.584 -0.250 0.000 1.191 194 A CA 1.995 53.791 52.037 -0.401 0.000 0.623 194 A CB -1.283 17.453 19.000 -0.440 0.000 0.826 194 A HN 0.592 nan 8.150 nan 0.000 0.444 195 E N -0.980 119.140 120.200 -0.133 0.000 2.160 195 E HA -0.206 4.144 4.350 -0.000 0.000 0.195 195 E C 1.985 178.584 176.600 -0.002 0.000 0.991 195 E CA 1.351 57.717 56.400 -0.057 0.000 0.810 195 E CB -0.198 29.539 29.700 0.061 0.000 0.742 195 E HN 0.657 nan 8.360 nan 0.000 0.466 196 M N -0.276 119.352 119.600 0.047 0.000 2.200 196 M HA -0.119 4.361 4.480 -0.000 0.000 0.265 196 M C 2.107 178.428 176.300 0.035 0.000 1.066 196 M CA 0.878 56.239 55.300 0.100 0.000 1.127 196 M CB 0.264 32.993 32.600 0.214 0.000 1.379 196 M HN 0.106 nan 8.290 nan 0.000 0.420 197 V N -0.229 119.658 119.914 -0.045 0.000 2.283 197 V HA -0.211 3.909 4.120 -0.000 0.000 0.243 197 V C 2.523 178.550 176.094 -0.112 0.000 1.039 197 V CA 2.260 64.501 62.300 -0.099 0.000 1.016 197 V CB -1.020 30.656 31.823 -0.244 0.000 0.650 197 V HN 0.616 nan 8.190 nan 0.000 0.449 198 T N -2.603 111.859 114.554 -0.152 0.000 3.055 198 T HA -0.093 4.257 4.350 -0.000 0.000 0.265 198 T C 1.357 175.993 174.700 -0.107 0.000 1.111 198 T CA 0.841 62.853 62.100 -0.148 0.000 1.118 198 T CB -0.224 68.523 68.868 -0.201 0.000 0.909 198 T HN 0.387 nan 8.240 nan 0.000 0.501 199 R N -0.622 119.831 120.500 -0.079 0.000 3.872 199 R HA -0.112 4.228 4.340 -0.000 0.000 0.341 199 R C -0.336 175.932 176.300 -0.053 0.000 1.172 199 R CA 0.800 56.868 56.100 -0.053 0.000 0.901 199 R CB -1.010 29.258 30.300 -0.053 0.000 1.422 199 R HN 0.472 nan 8.270 nan 0.000 0.523 200 R N -0.481 119.972 120.500 -0.079 0.000 2.629 200 R HA 0.587 4.927 4.340 -0.000 0.000 0.266 200 R C -1.401 174.814 176.300 -0.142 0.000 1.051 200 R CA -0.090 55.956 56.100 -0.091 0.000 0.895 200 R CB 1.182 31.407 30.300 -0.125 0.000 1.246 200 R HN 0.177 nan 8.270 nan 0.000 0.459 201 A N 4.074 126.807 122.820 -0.145 0.000 2.566 201 A HA 0.068 4.388 4.320 -0.000 0.000 0.245 201 A C 1.253 178.566 177.584 -0.452 0.000 1.056 201 A CA 0.118 51.996 52.037 -0.265 0.000 0.757 201 A CB -0.118 18.548 19.000 -0.556 0.000 0.979 201 A HN 0.845 nan 8.150 nan 0.000 0.508 202 L N 1.564 122.493 121.223 -0.490 0.000 2.046 202 L HA -0.009 4.331 4.340 -0.000 0.000 0.208 202 L C -0.071 176.218 176.870 -0.968 0.000 1.077 202 L CA 1.410 55.770 54.840 -0.802 0.000 0.747 202 L CB -0.102 41.370 42.059 -0.980 0.000 0.896 202 L HN 0.748 nan 8.230 nan 0.000 0.432 203 F N -0.475 119.213 119.950 -0.438 0.000 2.710 203 F HA 0.339 4.866 4.527 -0.000 0.000 0.345 203 F C -2.211 173.138 175.800 -0.751 0.000 1.362 203 F CA -2.564 55.171 58.000 -0.442 0.000 1.175 203 F CB 0.188 39.049 39.000 -0.231 0.000 1.561 203 F HN -0.130 nan 8.300 nan 0.000 0.593 204 P HA 0.092 nan 4.420 nan 0.000 0.235 204 P C 0.876 177.814 177.300 -0.604 0.000 1.720 204 P CA 0.230 62.392 63.100 -1.562 0.000 1.003 204 P CB 0.043 31.037 31.700 -1.176 0.000 1.968 205 G N 1.058 109.659 108.800 -0.332 0.000 2.554 205 G HA2 -0.002 3.958 3.960 -0.000 0.000 0.238 205 G HA3 -0.002 3.958 3.960 -0.000 0.000 0.238 205 G C 0.446 175.413 174.900 0.111 0.000 1.259 205 G CA -0.319 44.748 45.100 -0.055 0.000 0.843 205 G HN 0.211 nan 8.290 nan 0.000 0.582 206 D N -0.838 119.591 120.400 0.048 0.000 2.379 206 D HA 0.120 4.760 4.640 -0.000 0.000 0.208 206 D C 1.069 177.394 176.300 0.042 0.000 1.065 206 D CA 0.899 54.941 54.000 0.070 0.000 0.848 206 D CB 0.561 41.377 40.800 0.026 0.000 0.949 206 D HN 0.486 nan 8.370 nan 0.000 0.509 207 S N -1.174 114.537 115.700 0.020 0.000 2.655 207 S HA 0.192 4.662 4.470 -0.000 0.000 0.266 207 S C 0.612 175.205 174.600 -0.012 0.000 1.149 207 S CA -0.793 57.408 58.200 0.002 0.000 0.818 207 S CB 1.949 65.135 63.200 -0.022 0.000 1.130 207 S HN -0.191 nan 8.310 nan 0.000 0.476 208 E N -0.116 120.074 120.200 -0.016 0.000 2.085 208 E HA -0.138 4.212 4.350 -0.000 0.000 0.194 208 E C 1.610 178.186 176.600 -0.039 0.000 0.994 208 E CA 1.558 57.942 56.400 -0.026 0.000 0.801 208 E CB -0.242 29.447 29.700 -0.017 0.000 0.743 208 E HN 0.545 nan 8.360 nan 0.000 0.453 209 I N 1.365 121.917 120.570 -0.030 0.000 2.406 209 I HA -0.198 3.972 4.170 -0.000 0.000 0.249 209 I C 1.965 178.040 176.117 -0.069 0.000 1.122 209 I CA 1.278 62.565 61.300 -0.022 0.000 1.431 209 I CB 0.021 37.989 38.000 -0.053 0.000 1.087 209 I HN -0.047 nan 8.210 nan 0.000 0.424 210 D N -0.474 119.863 120.400 -0.105 0.000 2.117 210 D HA -0.271 4.369 4.640 -0.000 0.000 0.198 210 D C 2.130 178.361 176.300 -0.116 0.000 0.982 210 D CA 1.301 55.229 54.000 -0.120 0.000 0.828 210 D CB -0.057 40.688 40.800 -0.092 0.000 0.967 210 D HN 0.334 nan 8.370 nan 0.000 0.464 211 Q N -0.210 119.527 119.800 -0.105 0.000 2.020 211 Q HA -0.115 4.225 4.340 -0.000 0.000 0.202 211 Q C 2.101 177.934 176.000 -0.279 0.000 0.982 211 Q CA 1.332 57.051 55.803 -0.141 0.000 0.838 211 Q CB -0.799 27.894 28.738 -0.075 0.000 0.899 211 Q HN 0.380 nan 8.270 nan 0.000 0.423 212 L N -0.405 120.635 121.223 -0.306 0.000 1.990 212 L HA -0.155 4.185 4.340 -0.000 0.000 0.213 212 L C 2.056 178.339 176.870 -0.978 0.000 1.072 212 L CA 1.900 56.368 54.840 -0.620 0.000 0.755 212 L CB -0.827 40.906 42.059 -0.545 0.000 0.889 212 L HN 0.329 nan 8.230 nan 0.000 0.432 213 F N -0.245 119.209 119.950 -0.827 0.000 2.216 213 F HA -0.150 4.377 4.527 -0.000 0.000 0.300 213 F C 2.569 177.975 175.800 -0.656 0.000 1.085 213 F CA 1.129 58.676 58.000 -0.755 0.000 1.326 213 F CB -0.523 38.182 39.000 -0.492 0.000 1.027 213 F HN 0.062 nan 8.300 nan 0.000 0.497 214 R N 0.045 120.346 120.500 -0.332 0.000 2.096 214 R HA -0.142 4.198 4.340 -0.000 0.000 0.235 214 R C 2.237 178.325 176.300 -0.353 0.000 1.127 214 R CA 1.484 57.425 56.100 -0.265 0.000 0.968 214 R CB -0.742 29.472 30.300 -0.143 0.000 0.861 214 R HN 0.339 nan 8.270 nan 0.000 0.440 215 I N 0.262 120.463 120.570 -0.615 0.000 2.113 215 I HA -0.281 3.889 4.170 -0.000 0.000 0.238 215 I C 2.050 178.101 176.117 -0.110 0.000 1.070 215 I CA 1.262 62.156 61.300 -0.677 0.000 1.332 215 I CB -0.401 37.252 38.000 -0.578 0.000 1.044 215 I HN -0.027 nan 8.210 nan 0.000 0.402 216 F N 1.445 121.250 119.950 -0.241 0.000 2.091 216 F HA -0.229 4.298 4.527 -0.000 0.000 0.299 216 F C 2.704 178.349 175.800 -0.258 0.000 1.103 216 F CA 1.335 59.222 58.000 -0.188 0.000 1.228 216 F CB -1.375 37.396 39.000 -0.382 0.000 0.984 216 F HN 0.037 nan 8.300 nan 0.000 0.477 217 R N -0.766 119.472 120.500 -0.437 0.000 2.127 217 R HA -0.123 4.217 4.340 -0.000 0.000 0.238 217 R C 2.049 178.289 176.300 -0.101 0.000 1.134 217 R CA 1.856 57.626 56.100 -0.550 0.000 0.975 217 R CB -0.805 29.053 30.300 -0.737 0.000 0.865 217 R HN 0.275 nan 8.270 nan 0.000 0.447 218 T N 0.853 115.415 114.554 0.015 0.000 2.901 218 T HA 0.091 4.441 4.350 -0.000 0.000 0.252 218 T C 1.664 176.467 174.700 0.173 0.000 1.035 218 T CA 0.680 62.838 62.100 0.097 0.000 1.142 218 T CB 0.131 69.113 68.868 0.191 0.000 0.869 218 T HN 0.090 nan 8.240 nan 0.000 0.442 219 L N 0.610 121.984 121.223 0.252 0.000 2.567 219 L HA 0.398 4.738 4.340 -0.000 0.000 0.225 219 L C 1.188 178.306 176.870 0.414 0.000 1.119 219 L CA -0.210 54.841 54.840 0.352 0.000 0.871 219 L CB -0.660 41.571 42.059 0.287 0.000 1.036 219 L HN 0.382 nan 8.230 nan 0.000 0.459 220 G N 0.115 109.119 108.800 0.340 0.000 2.705 220 G HA2 -0.193 3.767 3.960 -0.000 0.000 0.686 220 G HA3 -0.193 3.767 3.960 -0.000 0.000 0.686 220 G C -0.269 174.739 174.900 0.181 0.000 1.285 220 G CA -0.716 44.550 45.100 0.277 0.000 0.800 220 G HN -0.030 nan 8.290 nan 0.000 0.611 221 T N 4.534 119.103 114.554 0.026 0.000 2.799 221 T HA 0.475 4.825 4.350 -0.000 0.000 0.296 221 T C -1.336 173.128 174.700 -0.394 0.000 0.947 221 T CA 0.033 61.904 62.100 -0.381 0.000 1.141 221 T CB 1.100 69.745 68.868 -0.371 0.000 0.891 221 T HN 0.667 nan 8.240 nan 0.000 0.533 222 P HA 0.139 nan 4.420 nan 0.000 0.265 222 P C -0.856 176.278 177.300 -0.276 0.000 1.193 222 P CA -0.241 62.562 63.100 -0.496 0.000 0.765 222 P CB 0.543 31.896 31.700 -0.579 0.000 0.823 223 D N 0.238 120.541 120.400 -0.163 0.000 2.374 223 D HA 0.181 4.821 4.640 -0.000 0.000 0.239 223 D C 0.604 176.840 176.300 -0.107 0.000 0.991 223 D CA -0.956 52.966 54.000 -0.129 0.000 0.960 223 D CB 0.534 41.290 40.800 -0.072 0.000 1.284 223 D HN 0.140 nan 8.370 nan 0.000 0.512 224 E N -0.310 119.811 120.200 -0.131 0.000 2.501 224 E HA -0.068 4.282 4.350 -0.000 0.000 0.203 224 E C 1.101 177.694 176.600 -0.012 0.000 1.072 224 E CA 0.434 56.775 56.400 -0.098 0.000 0.885 224 E CB -0.118 29.511 29.700 -0.118 0.000 0.813 224 E HN 0.369 nan 8.360 nan 0.000 0.556 225 V N -1.361 118.555 119.914 0.003 0.000 2.685 225 V HA -0.029 4.091 4.120 -0.000 0.000 0.244 225 V C 1.712 177.853 176.094 0.078 0.000 1.054 225 V CA 1.078 63.398 62.300 0.034 0.000 1.076 225 V CB 0.750 32.585 31.823 0.020 0.000 0.725 225 V HN 0.287 nan 8.190 nan 0.000 0.467 226 V N -1.111 118.856 119.914 0.090 0.000 3.354 226 V HA 0.111 4.231 4.120 -0.000 0.000 0.258 226 V C 0.306 176.560 176.094 0.266 0.000 1.159 226 V CA 0.636 63.019 62.300 0.137 0.000 1.125 226 V CB 0.534 32.416 31.823 0.099 0.000 0.774 226 V HN 0.681 nan 8.190 nan 0.000 0.464 227 W N 1.176 122.478 121.300 0.003 0.000 2.258 227 W HA 0.473 5.133 4.660 -0.000 0.000 0.287 227 W C -2.619 173.879 176.519 -0.034 0.000 1.024 227 W CA -2.742 54.615 57.345 0.021 0.000 1.377 227 W CB 0.846 30.299 29.460 -0.013 0.000 1.351 227 W HN 0.117 nan 8.180 nan 0.000 0.334 228 P HA -0.183 nan 4.420 nan 0.000 0.219 228 P C 1.336 178.660 177.300 0.039 0.000 1.147 228 P CA 2.951 66.130 63.100 0.132 0.000 0.821 228 P CB 0.144 31.927 31.700 0.138 0.000 0.771 229 G N -2.465 106.366 108.800 0.052 0.000 2.944 229 G HA2 -0.013 3.947 3.960 -0.000 0.000 0.223 229 G HA3 -0.013 3.947 3.960 -0.000 0.000 0.223 229 G C 1.342 175.981 174.900 -0.434 0.000 1.071 229 G CA 0.079 45.108 45.100 -0.119 0.000 0.806 229 G HN 0.162 nan 8.290 nan 0.000 0.538 230 V N 1.412 120.784 119.914 -0.904 0.000 2.252 230 V HA -0.289 3.831 4.120 -0.000 0.000 0.255 230 V C 2.861 178.322 176.094 -1.054 0.000 1.071 230 V CA 3.158 64.679 62.300 -1.298 0.000 1.050 230 V CB -0.591 30.266 31.823 -1.610 0.000 0.654 230 V HN 0.376 nan 8.190 nan 0.000 0.448 231 T N -0.291 113.625 114.554 -1.064 0.000 2.848 231 T HA -0.165 4.185 4.350 -0.000 0.000 0.269 231 T C 1.747 176.067 174.700 -0.634 0.000 1.081 231 T CA 1.879 63.238 62.100 -1.236 0.000 1.125 231 T CB -0.260 68.189 68.868 -0.699 0.000 0.848 231 T HN 0.687 nan 8.240 nan 0.000 0.503 232 S N 0.215 115.668 115.700 -0.412 0.000 2.517 232 S HA 0.302 4.772 4.470 -0.000 0.000 0.214 232 S C 0.701 175.215 174.600 -0.144 0.000 0.991 232 S CA -0.114 57.962 58.200 -0.206 0.000 0.906 232 S CB -0.052 63.059 63.200 -0.149 0.000 0.789 232 S HN 0.479 nan 8.310 nan 0.000 0.513 233 M N 2.397 121.883 119.600 -0.190 0.000 2.260 233 M HA 0.073 4.553 4.480 -0.000 0.000 0.348 233 M C -1.750 174.534 176.300 -0.028 0.000 1.342 233 M CA -1.219 54.020 55.300 -0.102 0.000 1.040 233 M CB -0.134 32.382 32.600 -0.141 0.000 1.810 233 M HN -0.110 nan 8.290 nan 0.000 0.453 234 P HA -0.189 nan 4.420 nan 0.000 0.221 234 P C -0.026 177.268 177.300 -0.010 0.000 1.141 234 P CA 1.347 64.434 63.100 -0.021 0.000 0.794 234 P CB 0.132 31.815 31.700 -0.029 0.000 0.764 235 D N -4.499 115.908 120.400 0.012 0.000 2.500 235 D HA 0.051 4.691 4.640 -0.000 0.000 0.217 235 D C 0.126 176.430 176.300 0.008 0.000 1.159 235 D CA -0.342 53.673 54.000 0.024 0.000 0.828 235 D CB -0.262 40.571 40.800 0.055 0.000 1.039 235 D HN 0.186 nan 8.370 nan 0.000 0.512 236 Y N 2.301 122.517 120.300 -0.140 0.000 2.411 236 Y HA 0.241 4.791 4.550 -0.000 0.000 0.333 236 Y C -0.107 175.501 175.900 -0.487 0.000 1.186 236 Y CA 0.151 58.073 58.100 -0.297 0.000 1.381 236 Y CB 0.521 38.806 38.460 -0.293 0.000 1.273 236 Y HN -0.395 nan 8.280 nan 0.000 0.546 237 K N 7.158 126.419 120.400 -1.898 0.000 2.427 237 K HA 0.279 4.599 4.320 -0.000 0.000 0.252 237 K C -2.389 173.326 176.600 -1.475 0.000 0.931 237 K CA -1.878 53.623 56.287 -1.311 0.000 0.793 237 K CB 2.227 34.170 32.500 -0.928 0.000 1.211 237 K HN 0.332 nan 8.250 nan 0.000 0.426 238 P HA -0.049 nan 4.420 nan 0.000 0.233 238 P C -0.276 176.886 177.300 -0.229 0.000 1.167 238 P CA 0.597 63.505 63.100 -0.320 0.000 0.770 238 P CB 0.295 31.928 31.700 -0.112 0.000 0.837 239 S N 0.022 115.573 115.700 -0.248 0.000 3.456 239 S HA 0.227 4.697 4.470 -0.000 0.000 0.229 239 S C -0.192 174.528 174.600 0.200 0.000 1.416 239 S CA -0.121 58.055 58.200 -0.040 0.000 1.197 239 S CB -1.130 62.055 63.200 -0.025 0.000 1.201 239 S HN -0.090 nan 8.310 nan 0.000 0.479 240 F N 2.269 122.173 119.950 -0.078 0.000 2.507 240 F HA 0.514 5.041 4.527 -0.000 0.000 0.325 240 F C -2.431 173.333 175.800 -0.059 0.000 1.116 240 F CA -3.342 54.648 58.000 -0.017 0.000 0.930 240 F CB 1.022 39.899 39.000 -0.205 0.000 1.146 240 F HN 0.050 nan 8.300 nan 0.000 0.447 241 P HA 0.071 nan 4.420 nan 0.000 0.268 241 P C -0.797 176.271 177.300 -0.386 0.000 1.208 241 P CA -0.320 62.585 63.100 -0.325 0.000 0.777 241 P CB 0.611 31.805 31.700 -0.843 0.000 0.875 242 K N 3.335 123.486 120.400 -0.416 0.000 2.292 242 K HA 0.183 4.503 4.320 -0.000 0.000 0.270 242 K C -0.929 175.523 176.600 -0.246 0.000 1.062 242 K CA -0.483 55.667 56.287 -0.228 0.000 0.916 242 K CB 0.425 32.839 32.500 -0.144 0.000 1.166 242 K HN 0.436 nan 8.250 nan 0.000 0.458 243 W N 1.882 123.167 121.300 -0.025 0.000 2.578 243 W HA 0.555 5.215 4.660 -0.000 0.000 0.364 243 W C -0.165 176.367 176.519 0.022 0.000 1.144 243 W CA -0.981 56.377 57.345 0.022 0.000 1.242 243 W CB 1.827 31.324 29.460 0.061 0.000 1.382 243 W HN 0.571 nan 8.180 nan 0.000 0.625 244 A N 1.533 124.532 122.820 0.298 0.000 2.325 244 A HA 0.536 4.856 4.320 -0.000 0.000 0.333 244 A C -0.197 177.510 177.584 0.204 0.000 1.155 244 A CA -0.852 51.299 52.037 0.191 0.000 0.814 244 A CB 1.073 20.154 19.000 0.135 0.000 1.206 244 A HN 0.641 nan 8.150 nan 0.000 0.482 245 R N 1.721 122.330 120.500 0.182 0.000 2.484 245 R HA 0.079 4.419 4.340 -0.000 0.000 0.293 245 R C -0.214 176.199 176.300 0.187 0.000 1.023 245 R CA 0.250 56.476 56.100 0.210 0.000 1.037 245 R CB 0.171 30.593 30.300 0.203 0.000 0.951 245 R HN 0.852 nan 8.270 nan 0.000 0.418 246 Q N 2.073 121.984 119.800 0.185 0.000 2.443 246 Q HA -0.031 4.309 4.340 -0.000 0.000 0.232 246 Q C -0.668 175.449 176.000 0.194 0.000 1.026 246 Q CA 0.052 55.938 55.803 0.138 0.000 0.924 246 Q CB 0.686 29.463 28.738 0.066 0.000 1.256 246 Q HN 0.542 nan 8.270 nan 0.000 0.519 247 D N 0.097 120.582 120.400 0.142 0.000 2.336 247 D HA 0.037 4.677 4.640 -0.000 0.000 0.249 247 D C -0.120 176.298 176.300 0.197 0.000 1.213 247 D CA -0.066 54.034 54.000 0.166 0.000 0.870 247 D CB 0.330 41.184 40.800 0.091 0.000 1.076 247 D HN 0.330 nan 8.370 nan 0.000 0.483 248 F N 1.893 121.824 119.950 -0.031 0.000 2.346 248 F HA -0.162 4.365 4.527 -0.000 0.000 0.301 248 F C 2.448 178.205 175.800 -0.072 0.000 1.070 248 F CA 0.632 58.593 58.000 -0.065 0.000 1.407 248 F CB -0.504 38.451 39.000 -0.075 0.000 1.072 248 F HN 0.371 nan 8.300 nan 0.000 0.543 249 S N -0.633 115.136 115.700 0.115 0.000 2.402 249 S HA -0.140 4.330 4.470 -0.000 0.000 0.229 249 S C 1.911 176.508 174.600 -0.005 0.000 1.021 249 S CA 0.913 59.137 58.200 0.041 0.000 0.974 249 S CB -0.050 63.173 63.200 0.037 0.000 0.800 249 S HN 0.201 nan 8.310 nan 0.000 0.484 250 K N 1.643 122.039 120.400 -0.006 0.000 1.991 250 K HA 0.165 4.485 4.320 -0.000 0.000 0.208 250 K C 2.145 178.679 176.600 -0.110 0.000 1.038 250 K CA 0.667 56.928 56.287 -0.044 0.000 0.943 250 K CB -1.392 31.094 32.500 -0.024 0.000 0.736 250 K HN 0.113 nan 8.250 nan 0.000 0.440 251 V N 1.009 120.822 119.914 -0.168 0.000 2.277 251 V HA -0.202 3.918 4.120 -0.000 0.000 0.255 251 V C 0.932 176.830 176.094 -0.327 0.000 1.074 251 V CA 1.855 63.958 62.300 -0.328 0.000 1.058 251 V CB -0.789 30.646 31.823 -0.646 0.000 0.656 251 V HN 0.213 nan 8.190 nan 0.000 0.449 252 V N -3.848 115.908 119.914 -0.262 0.000 2.443 252 V HA 0.383 4.503 4.120 -0.000 0.000 0.272 252 V C -2.089 173.923 176.094 -0.136 0.000 1.002 252 V CA -1.396 60.763 62.300 -0.235 0.000 0.840 252 V CB 1.106 32.746 31.823 -0.306 0.000 1.042 252 V HN 0.122 nan 8.190 nan 0.000 0.446 253 P HA 0.051 nan 4.420 nan 0.000 0.214 253 P C -1.260 176.010 177.300 -0.051 0.000 1.162 253 P CA 1.577 64.636 63.100 -0.067 0.000 0.874 253 P CB -0.756 30.906 31.700 -0.065 0.000 0.784 254 P HA -0.036 nan 4.420 nan 0.000 0.228 254 P C 0.035 177.327 177.300 -0.013 0.000 1.151 254 P CA 0.628 63.708 63.100 -0.034 0.000 0.770 254 P CB -0.195 31.480 31.700 -0.041 0.000 0.786 255 L N 1.671 122.873 121.223 -0.036 0.000 2.349 255 L HA 0.126 4.466 4.340 -0.000 0.000 0.275 255 L C 1.005 177.900 176.870 0.041 0.000 1.115 255 L CA -0.163 54.676 54.840 -0.002 0.000 0.820 255 L CB 0.064 42.065 42.059 -0.097 0.000 1.135 255 L HN 0.025 nan 8.230 nan 0.000 0.445 256 D N 2.026 122.488 120.400 0.102 0.000 2.398 256 D HA -0.038 4.602 4.640 -0.000 0.000 0.264 256 D C 0.803 177.161 176.300 0.097 0.000 1.263 256 D CA -0.330 53.727 54.000 0.095 0.000 1.037 256 D CB 0.500 41.366 40.800 0.110 0.000 1.101 256 D HN 0.536 nan 8.370 nan 0.000 0.551 257 E N 0.065 120.318 120.200 0.087 0.000 2.086 257 E HA -0.268 4.082 4.350 -0.000 0.000 0.205 257 E C 1.284 177.951 176.600 0.112 0.000 1.027 257 E CA 2.237 58.685 56.400 0.080 0.000 0.830 257 E CB -0.217 29.526 29.700 0.070 0.000 0.751 257 E HN 0.400 nan 8.360 nan 0.000 0.456 258 D N -1.004 119.507 120.400 0.186 0.000 2.162 258 D HA 0.001 4.641 4.640 -0.000 0.000 0.203 258 D C 1.878 178.270 176.300 0.154 0.000 0.967 258 D CA 1.178 55.355 54.000 0.295 0.000 0.840 258 D CB -0.674 40.370 40.800 0.405 0.000 0.972 258 D HN 0.388 nan 8.370 nan 0.000 0.482 259 G N 1.023 109.917 108.800 0.157 0.000 2.469 259 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.219 259 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.219 259 G C 1.733 176.520 174.900 -0.189 0.000 1.150 259 G CA 0.424 45.377 45.100 -0.246 0.000 0.763 259 G HN 0.233 nan 8.290 nan 0.000 0.561 260 R N 0.084 120.555 120.500 -0.050 0.000 2.153 260 R HA 0.053 4.393 4.340 -0.000 0.000 0.218 260 R C 2.911 179.184 176.300 -0.044 0.000 1.072 260 R CA 1.024 57.127 56.100 0.006 0.000 0.990 260 R CB -0.240 30.091 30.300 0.053 0.000 0.889 260 R HN 0.442 nan 8.270 nan 0.000 0.452 261 S N 1.136 116.816 115.700 -0.033 0.000 2.338 261 S HA -0.137 4.333 4.470 -0.000 0.000 0.218 261 S C 1.927 176.462 174.600 -0.108 0.000 1.032 261 S CA 0.937 59.133 58.200 -0.007 0.000 0.999 261 S CB -0.235 63.087 63.200 0.202 0.000 0.905 261 S HN 0.194 nan 8.310 nan 0.000 0.439 262 L N 1.698 122.693 121.223 -0.379 0.000 1.956 262 L HA -0.050 4.290 4.340 -0.000 0.000 0.216 262 L C 2.381 179.166 176.870 -0.142 0.000 1.073 262 L CA 2.300 56.820 54.840 -0.533 0.000 0.762 262 L CB -1.362 40.251 42.059 -0.744 0.000 0.889 262 L HN 0.512 nan 8.230 nan 0.000 0.433 263 L N -0.495 120.730 121.223 0.005 0.000 2.064 263 L HA -0.279 4.061 4.340 -0.000 0.000 0.216 263 L C 2.619 179.554 176.870 0.109 0.000 1.077 263 L CA 2.418 57.331 54.840 0.121 0.000 0.766 263 L CB -0.941 41.142 42.059 0.040 0.000 0.890 263 L HN 0.613 nan 8.230 nan 0.000 0.435 264 S N -1.551 114.162 115.700 0.022 0.000 2.383 264 S HA -0.213 4.257 4.470 -0.000 0.000 0.227 264 S C 1.814 176.407 174.600 -0.011 0.000 1.026 264 S CA 1.152 59.287 58.200 -0.108 0.000 0.981 264 S CB -0.607 62.312 63.200 -0.467 0.000 0.818 264 S HN 0.654 nan 8.310 nan 0.000 0.472 265 Q N 0.702 120.506 119.800 0.007 0.000 2.119 265 Q HA 0.123 4.463 4.340 -0.000 0.000 0.201 265 Q C 2.169 178.218 176.000 0.082 0.000 0.972 265 Q CA 1.216 57.061 55.803 0.069 0.000 0.847 265 Q CB -0.388 28.384 28.738 0.057 0.000 0.903 265 Q HN 0.565 nan 8.270 nan 0.000 0.433 266 M N -0.110 119.516 119.600 0.043 0.000 2.394 266 M HA -0.061 4.419 4.480 -0.000 0.000 0.264 266 M C 1.390 177.694 176.300 0.007 0.000 1.073 266 M CA 1.025 56.349 55.300 0.040 0.000 1.111 266 M CB 0.265 32.880 32.600 0.024 0.000 1.401 266 M HN 0.173 nan 8.290 nan 0.000 0.448 267 L N -1.569 119.632 121.223 -0.038 0.000 2.607 267 L HA 0.107 4.447 4.340 -0.000 0.000 0.228 267 L C 0.609 177.510 176.870 0.053 0.000 1.123 267 L CA -0.377 54.349 54.840 -0.191 0.000 0.890 267 L CB -0.595 41.299 42.059 -0.275 0.000 1.103 267 L HN 0.217 nan 8.230 nan 0.000 0.468 268 H N -0.989 118.099 119.070 0.031 0.000 3.140 268 H HA -0.174 4.382 4.556 -0.000 0.000 0.316 268 H C 0.862 176.209 175.328 0.032 0.000 0.986 268 H CA 0.610 56.680 56.048 0.036 0.000 1.397 268 H CB 0.495 30.274 29.762 0.028 0.000 1.377 268 H HN 0.020 nan 8.280 nan 0.000 0.585 269 Y N 1.917 122.139 120.300 -0.131 0.000 2.049 269 Y HA -0.210 4.340 4.550 -0.000 0.000 0.277 269 Y C 1.484 177.061 175.900 -0.538 0.000 1.143 269 Y CA 1.971 59.968 58.100 -0.171 0.000 1.115 269 Y CB -0.302 38.147 38.460 -0.019 0.000 0.975 269 Y HN 0.698 nan 8.280 nan 0.000 0.487 270 D N 1.612 122.000 120.400 -0.020 0.000 2.368 270 D HA -0.017 4.623 4.640 -0.000 0.000 0.268 270 D C -1.757 174.410 176.300 -0.222 0.000 1.298 270 D CA -1.620 52.169 54.000 -0.353 0.000 0.938 270 D CB 0.843 41.668 40.800 0.041 0.000 1.101 270 D HN 0.112 nan 8.370 nan 0.000 0.509 271 P HA -0.132 nan 4.420 nan 0.000 0.223 271 P C 0.586 177.825 177.300 -0.103 0.000 1.144 271 P CA 0.723 63.727 63.100 -0.160 0.000 0.783 271 P CB 0.359 31.976 31.700 -0.138 0.000 0.771 272 N N -0.400 118.237 118.700 -0.104 0.000 2.398 272 N HA 0.026 4.766 4.740 -0.000 0.000 0.188 272 N C 1.199 176.631 175.510 -0.130 0.000 1.122 272 N CA 0.495 53.501 53.050 -0.074 0.000 0.866 272 N CB 0.303 38.773 38.487 -0.027 0.000 0.970 272 N HN 0.342 nan 8.380 nan 0.000 0.462 273 K N -0.053 120.189 120.400 -0.264 0.000 2.511 273 K HA 0.131 4.451 4.320 -0.000 0.000 0.209 273 K C 0.507 176.828 176.600 -0.465 0.000 1.301 273 K CA -0.322 55.688 56.287 -0.462 0.000 0.967 273 K CB 1.198 33.172 32.500 -0.878 0.000 1.109 273 K HN -0.060 nan 8.250 nan 0.000 0.561 274 R N 2.737 123.061 120.500 -0.294 0.000 2.504 274 R HA 0.031 4.371 4.340 -0.000 0.000 0.291 274 R C 0.113 176.405 176.300 -0.014 0.000 0.974 274 R CA 0.057 56.125 56.100 -0.054 0.000 1.077 274 R CB 0.083 30.424 30.300 0.068 0.000 0.926 274 R HN 0.120 nan 8.270 nan 0.000 0.407 275 I N 3.548 124.134 120.570 0.027 0.000 2.948 275 I HA -0.170 4.000 4.170 -0.000 0.000 0.303 275 I C 0.447 176.606 176.117 0.071 0.000 1.224 275 I CA 1.023 62.355 61.300 0.053 0.000 1.442 275 I CB 0.543 38.591 38.000 0.080 0.000 1.328 275 I HN 0.830 nan 8.210 nan 0.000 0.578 276 S N 5.686 121.432 115.700 0.077 0.000 2.646 276 S HA 0.469 4.939 4.470 -0.000 0.000 0.276 276 S C 0.924 175.581 174.600 0.096 0.000 1.222 276 S CA -0.210 58.049 58.200 0.099 0.000 1.014 276 S CB 1.841 65.099 63.200 0.095 0.000 0.991 276 S HN 0.774 nan 8.310 nan 0.000 0.533 277 A N 2.552 125.433 122.820 0.101 0.000 1.917 277 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 277 A C 2.098 179.686 177.584 0.008 0.000 1.182 277 A CA 1.994 54.046 52.037 0.025 0.000 0.633 277 A CB -1.039 17.931 19.000 -0.049 0.000 0.819 277 A HN 1.022 nan 8.150 nan 0.000 0.448 278 K N -0.357 120.068 120.400 0.041 0.000 2.057 278 K HA 0.158 4.478 4.320 -0.000 0.000 0.206 278 K C 2.089 178.726 176.600 0.060 0.000 1.050 278 K CA 1.243 57.553 56.287 0.037 0.000 0.935 278 K CB -0.524 32.010 32.500 0.056 0.000 0.715 278 K HN 0.265 nan 8.250 nan 0.000 0.439 279 A N 1.955 124.825 122.820 0.084 0.000 1.902 279 A HA 0.007 4.327 4.320 -0.000 0.000 0.217 279 A C 2.546 180.233 177.584 0.172 0.000 1.181 279 A CA 1.634 53.740 52.037 0.114 0.000 0.623 279 A CB -0.907 18.157 19.000 0.105 0.000 0.818 279 A HN 0.440 nan 8.150 nan 0.000 0.443 280 A N -0.347 122.570 122.820 0.162 0.000 1.978 280 A HA -0.062 4.258 4.320 -0.000 0.000 0.220 280 A C 2.115 179.897 177.584 0.330 0.000 1.170 280 A CA 1.474 53.666 52.037 0.258 0.000 0.636 280 A CB -0.585 18.520 19.000 0.175 0.000 0.810 280 A HN 0.483 nan 8.150 nan 0.000 0.448 281 L N -1.045 120.236 121.223 0.096 0.000 2.131 281 L HA -0.175 4.165 4.340 -0.000 0.000 0.210 281 L C 2.907 179.926 176.870 0.248 0.000 1.092 281 L CA 0.932 55.772 54.840 0.001 0.000 0.759 281 L CB -0.318 41.679 42.059 -0.103 0.000 0.903 281 L HN 0.444 nan 8.230 nan 0.000 0.435 282 A N -2.145 120.820 122.820 0.242 0.000 2.119 282 A HA -0.115 4.205 4.320 -0.000 0.000 0.216 282 A C 1.115 178.873 177.584 0.290 0.000 1.152 282 A CA 0.118 52.291 52.037 0.227 0.000 0.708 282 A CB -0.618 18.473 19.000 0.151 0.000 0.805 282 A HN 0.329 nan 8.150 nan 0.000 0.460 283 H N 0.451 119.718 119.070 0.329 0.000 3.038 283 H HA 0.002 4.558 4.556 -0.000 0.000 0.338 283 H C -1.598 173.893 175.328 0.271 0.000 1.041 283 H CA -0.595 55.635 56.048 0.304 0.000 1.394 283 H CB 0.914 30.873 29.762 0.328 0.000 1.357 283 H HN 0.038 nan 8.280 nan 0.000 0.600 284 P HA -0.189 nan 4.420 nan 0.000 0.217 284 P C 1.452 178.838 177.300 0.144 0.000 1.148 284 P CA 1.020 64.116 63.100 -0.007 0.000 0.828 284 P CB -0.183 31.431 31.700 -0.145 0.000 0.783 285 F N -0.295 119.775 119.950 0.200 0.000 2.154 285 F HA -0.204 4.323 4.527 -0.000 0.000 0.301 285 F C 1.557 177.212 175.800 -0.241 0.000 1.087 285 F CA 1.575 59.532 58.000 -0.071 0.000 1.274 285 F CB -0.766 38.071 39.000 -0.271 0.000 1.009 285 F HN -0.184 nan 8.300 nan 0.000 0.485 286 F N 0.244 120.243 119.950 0.082 0.000 2.811 286 F HA 0.022 4.549 4.527 -0.000 0.000 0.301 286 F C 2.209 177.860 175.800 -0.249 0.000 1.151 286 F CA 0.321 58.224 58.000 -0.163 0.000 1.412 286 F CB -1.013 37.982 39.000 -0.009 0.000 1.113 286 F HN 0.040 nan 8.300 nan 0.000 0.579 287 Q N 0.622 120.406 119.800 -0.026 0.000 2.152 287 Q HA -0.223 4.117 4.340 -0.000 0.000 0.206 287 Q C 1.189 177.125 176.000 -0.106 0.000 0.985 287 Q CA 1.813 57.587 55.803 -0.049 0.000 0.863 287 Q CB -0.262 28.457 28.738 -0.032 0.000 0.904 287 Q HN 0.533 nan 8.270 nan 0.000 0.422 288 D N -0.572 119.731 120.400 -0.162 0.000 2.349 288 D HA 0.023 4.663 4.640 -0.000 0.000 0.214 288 D C 0.645 176.834 176.300 -0.185 0.000 1.063 288 D CA -0.160 53.746 54.000 -0.156 0.000 0.847 288 D CB -0.248 40.461 40.800 -0.152 0.000 0.933 288 D HN -0.065 nan 8.370 nan 0.000 0.513 289 V N 1.847 121.613 119.914 -0.246 0.000 2.931 289 V HA 0.003 4.123 4.120 -0.000 0.000 0.290 289 V C 0.527 176.505 176.094 -0.194 0.000 1.315 289 V CA 1.425 63.557 62.300 -0.280 0.000 1.393 289 V CB 0.256 31.750 31.823 -0.548 0.000 0.887 289 V HN 0.640 nan 8.190 nan 0.000 0.520 290 T N 3.237 117.717 114.554 -0.123 0.000 2.654 290 T HA 0.487 4.837 4.350 -0.000 0.000 0.289 290 T C -0.388 174.306 174.700 -0.010 0.000 1.062 290 T CA -0.737 61.326 62.100 -0.062 0.000 1.041 290 T CB 1.685 70.521 68.868 -0.053 0.000 1.417 290 T HN 0.609 nan 8.240 nan 0.000 0.510 291 K N 1.521 121.924 120.400 0.005 0.000 3.206 291 K HA 0.348 4.668 4.320 -0.000 0.000 0.180 291 K C -2.658 173.951 176.600 0.016 0.000 1.088 291 K CA -1.774 54.532 56.287 0.032 0.000 0.872 291 K CB 0.209 32.743 32.500 0.056 0.000 0.976 291 K HN 0.351 nan 8.250 nan 0.000 0.564 292 P HA -0.091 nan 4.420 nan 0.000 0.264 292 P C -0.762 176.533 177.300 -0.008 0.000 1.179 292 P CA -0.090 62.999 63.100 -0.018 0.000 0.763 292 P CB 0.772 32.443 31.700 -0.048 0.000 0.806 293 V N 5.366 125.288 119.914 0.013 0.000 2.257 293 V HA 0.214 4.334 4.120 -0.000 0.000 0.269 293 V C -1.353 174.772 176.094 0.051 0.000 1.040 293 V CA -1.435 60.886 62.300 0.034 0.000 0.813 293 V CB 0.366 32.211 31.823 0.038 0.000 1.065 293 V HN 0.651 nan 8.190 nan 0.000 0.457 294 P HA 0.019 nan 4.420 nan 0.000 0.272 294 P C -0.502 176.910 177.300 0.188 0.000 1.248 294 P CA -0.074 63.102 63.100 0.127 0.000 0.799 294 P CB 0.782 32.551 31.700 0.116 0.000 0.997 295 H N 0.382 119.532 119.070 0.133 0.000 2.539 295 H HA 0.401 4.957 4.556 -0.000 0.000 0.332 295 H C -0.545 174.882 175.328 0.166 0.000 1.031 295 H CA -0.812 55.299 56.048 0.106 0.000 1.206 295 H CB 0.625 30.432 29.762 0.075 0.000 1.446 295 H HN 0.211 nan 8.280 nan 0.000 0.496 296 L N 4.743 125.875 121.223 -0.153 0.000 2.399 296 L HA 0.269 4.609 4.340 -0.000 0.000 0.266 296 L C 1.218 177.908 176.870 -0.300 0.000 1.114 296 L CA -0.771 53.989 54.840 -0.133 0.000 0.804 296 L CB 1.173 43.226 42.059 -0.009 0.000 1.146 296 L HN 0.694 nan 8.230 nan 0.000 0.451 297 R N 1.408 121.852 120.500 -0.093 0.000 3.192 297 R HA 0.491 4.831 4.340 -0.000 0.000 0.264 297 R C -0.710 175.594 176.300 0.007 0.000 1.464 297 R CA 0.003 56.066 56.100 -0.062 0.000 1.309 297 R CB -0.124 30.170 30.300 -0.010 0.000 1.283 297 R HN 0.429 nan 8.270 nan 0.000 0.584 298 L N 0.000 121.232 121.223 0.014 0.000 2.949 298 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 298 L CA 0.000 54.882 54.840 0.070 0.000 0.813 298 L CB 0.000 42.120 42.059 0.101 0.000 0.961 298 L HN 0.000 nan 8.230 nan 0.000 0.502