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 3i4k_1_G DATA FIRST_RESID 5 DATA SEQUENCE DLTIQKVESR ILDVPLIRPH GFATTTSTEQ HILLVSVHLE NGVIGYGEGV DATA SEQUENCE VPGGPWWGGE SVETXKALVD GYLAPVLIGR AVSELAGIXA DLERVVARAR DATA SEQUENCE YAKAAVDVAX HDAWARSLNV PVRDLLGGTV RDKVDVTWAL GVLPLDVAVA DATA SEQUENCE EIEERIEEFG NRSFKLKXGA GDPAEDTRRV AELAREVGDR VSLRIDINAR DATA SEQUENCE WDRRTALHYL PILAEAGVEL FEQPTPADDL ETLREITRRT NVSVXADESV DATA SEQUENCE WTPAEALAVV KAQAADVIAL KTTKHGGLLE SKKIAAIAEA GGLACHGATS DATA SEQUENCE LEGPIGTAAS LQFAASTKAI SYGTELFGPQ LLKDTYIVQE FEYKDGQVAI DATA SEQUENCE PQGPGLGVDV DXDKVNFYTR 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 5 D HA 0.000 nan 4.640 nan 0.000 0.175 5 D C 0.000 176.306 176.300 0.010 0.000 2.045 5 D CA 0.000 54.005 54.000 0.008 0.000 0.868 5 D CB 0.000 40.810 40.800 0.017 0.000 0.688 6 L N 1.344 122.565 121.223 -0.005 0.000 3.184 6 L HA 0.509 4.831 4.340 -0.031 0.000 0.283 6 L C -0.341 176.495 176.870 -0.057 0.000 1.218 6 L CA 0.381 55.212 54.840 -0.016 0.000 1.028 6 L CB 0.599 42.653 42.059 -0.009 0.000 1.400 6 L HN -0.101 nan 8.230 nan 0.000 0.591 7 T N 0.915 115.442 114.554 -0.045 0.000 2.928 7 T HA 0.184 4.515 4.350 -0.031 0.000 0.305 7 T C 0.290 174.962 174.700 -0.047 0.000 1.035 7 T CA 0.113 62.180 62.100 -0.054 0.000 1.145 7 T CB 0.513 69.360 68.868 -0.036 0.000 0.963 7 T HN -0.084 nan 8.240 nan 0.000 0.545 8 I N 4.063 124.597 120.570 -0.060 0.000 2.421 8 I HA 0.072 4.223 4.170 -0.031 0.000 0.291 8 I C 1.509 177.616 176.117 -0.017 0.000 1.089 8 I CA 0.389 61.662 61.300 -0.045 0.000 1.354 8 I CB 0.865 38.828 38.000 -0.062 0.000 1.413 8 I HN 0.574 nan 8.210 nan 0.000 0.513 9 Q N 4.829 124.635 119.800 0.010 0.000 2.165 9 Q HA 0.139 4.461 4.340 -0.031 0.000 0.197 9 Q C 0.650 176.667 176.000 0.029 0.000 0.952 9 Q CA 0.913 56.726 55.803 0.016 0.000 0.848 9 Q CB 0.369 29.119 28.738 0.021 0.000 0.931 9 Q HN 0.625 nan 8.270 nan 0.000 0.470 10 K N -0.275 120.169 120.400 0.073 0.000 2.556 10 K HA 0.430 4.731 4.320 -0.031 0.000 0.274 10 K C -1.599 175.093 176.600 0.153 0.000 0.966 10 K CA -0.555 55.791 56.287 0.097 0.000 0.865 10 K CB 2.301 34.845 32.500 0.074 0.000 1.444 10 K HN -0.102 nan 8.250 nan 0.000 0.433 11 V N -0.680 119.305 119.914 0.118 0.000 2.623 11 V HA 0.617 4.719 4.120 -0.031 0.000 0.304 11 V C -1.066 175.090 176.094 0.104 0.000 1.054 11 V CA -0.741 61.605 62.300 0.078 0.000 0.882 11 V CB 1.447 33.281 31.823 0.018 0.000 1.002 11 V HN 0.896 nan 8.190 nan 0.000 0.424 12 E N 2.707 122.980 120.200 0.121 0.000 2.359 12 E HA 0.846 5.177 4.350 -0.031 0.000 0.266 12 E C -0.893 175.769 176.600 0.102 0.000 0.920 12 E CA -0.920 55.556 56.400 0.126 0.000 0.788 12 E CB 2.440 32.257 29.700 0.196 0.000 1.279 12 E HN 0.966 nan 8.360 nan 0.000 0.438 13 S N 0.982 116.737 115.700 0.093 0.000 2.548 13 S HA 0.649 5.101 4.470 -0.031 0.000 0.276 13 S C -0.776 173.870 174.600 0.076 0.000 1.129 13 S CA -1.094 57.157 58.200 0.085 0.000 0.931 13 S CB 1.448 64.688 63.200 0.065 0.000 1.068 13 S HN 0.476 nan 8.310 nan 0.000 0.480 14 R N 2.000 122.545 120.500 0.075 0.000 2.483 14 R HA 0.469 4.791 4.340 -0.031 0.000 0.303 14 R C -0.760 175.557 176.300 0.029 0.000 0.987 14 R CA -0.559 55.573 56.100 0.054 0.000 0.881 14 R CB 1.534 31.873 30.300 0.065 0.000 1.177 14 R HN 0.662 nan 8.270 nan 0.000 0.451 15 I N 4.499 125.079 120.570 0.017 0.000 2.648 15 I HA 0.091 4.243 4.170 -0.031 0.000 0.284 15 I C -0.033 176.079 176.117 -0.008 0.000 1.153 15 I CA 0.256 61.559 61.300 0.005 0.000 1.426 15 I CB 0.426 38.425 38.000 -0.002 0.000 1.381 15 I HN 0.377 nan 8.210 nan 0.000 0.571 16 L N 5.811 127.019 121.223 -0.026 0.000 2.410 16 L HA 0.473 4.794 4.340 -0.031 0.000 0.270 16 L C -1.113 175.736 176.870 -0.035 0.000 0.983 16 L CA -0.779 54.023 54.840 -0.063 0.000 0.822 16 L CB 2.094 44.027 42.059 -0.211 0.000 1.285 16 L HN 0.484 nan 8.230 nan 0.000 0.409 17 D N 2.906 123.309 120.400 0.005 0.000 2.344 17 D HA 0.389 5.011 4.640 -0.031 0.000 0.239 17 D C -0.965 175.288 176.300 -0.078 0.000 1.064 17 D CA -0.092 53.928 54.000 0.033 0.000 0.829 17 D CB 3.339 44.212 40.800 0.121 0.000 1.129 17 D HN 0.143 nan 8.370 nan 0.000 0.506 18 V N 3.728 123.517 119.914 -0.208 0.000 2.483 18 V HA 0.390 4.491 4.120 -0.031 0.000 0.297 18 V C -2.632 173.359 176.094 -0.173 0.000 1.027 18 V CA -2.248 59.823 62.300 -0.382 0.000 0.855 18 V CB 2.293 33.785 31.823 -0.553 0.000 0.995 18 V HN 0.243 nan 8.190 nan 0.000 0.424 19 P HA 0.150 nan 4.420 nan 0.000 0.270 19 P C -1.214 176.077 177.300 -0.014 0.000 1.221 19 P CA -0.002 63.098 63.100 0.001 0.000 0.788 19 P CB 0.362 32.108 31.700 0.077 0.000 0.904 20 L N 2.168 123.394 121.223 0.005 0.000 2.322 20 L HA 0.304 4.625 4.340 -0.031 0.000 0.281 20 L C 1.281 178.173 176.870 0.036 0.000 1.014 20 L CA 0.026 54.872 54.840 0.010 0.000 0.815 20 L CB 0.909 42.969 42.059 0.001 0.000 1.247 20 L HN 0.373 nan 8.230 nan 0.000 0.421 21 I N 1.895 122.494 120.570 0.048 0.000 2.623 21 I HA -0.184 3.968 4.170 -0.031 0.000 0.261 21 I C 0.444 176.596 176.117 0.058 0.000 1.204 21 I CA 1.128 62.464 61.300 0.059 0.000 1.444 21 I CB -0.274 37.768 38.000 0.070 0.000 1.094 21 I HN 0.559 nan 8.210 nan 0.000 0.451 22 R N -0.752 119.784 120.500 0.059 0.000 2.629 22 R HA 0.344 4.665 4.340 -0.031 0.000 0.266 22 R C -2.756 173.578 176.300 0.057 0.000 1.051 22 R CA -1.688 54.447 56.100 0.058 0.000 0.895 22 R CB 1.189 31.535 30.300 0.077 0.000 1.246 22 R HN -0.283 nan 8.270 nan 0.000 0.459 23 P HA -0.019 nan 4.420 nan 0.000 0.264 23 P C -1.006 176.315 177.300 0.034 0.000 1.193 23 P CA 0.084 63.202 63.100 0.031 0.000 0.763 23 P CB 0.360 32.063 31.700 0.005 0.000 0.810 24 H N 1.807 120.804 119.070 -0.122 0.000 2.661 24 H HA 0.498 5.037 4.556 -0.028 0.000 0.290 24 H C 0.444 175.522 175.328 -0.415 0.000 1.082 24 H CA -0.206 55.682 56.048 -0.267 0.000 1.234 24 H CB 0.014 29.626 29.762 -0.251 0.000 1.387 24 H HN 0.444 nan 8.280 nan 0.000 0.476 25 G N 4.075 112.547 108.800 -0.547 0.000 2.353 25 G HA2 0.380 4.321 3.960 -0.031 0.000 0.284 25 G HA3 0.380 4.321 3.960 -0.031 0.000 0.284 25 G C -0.868 173.626 174.900 -0.678 0.000 1.172 25 G CA -0.240 44.580 45.100 -0.466 0.000 0.854 25 G HN 0.382 nan 8.290 nan 0.000 0.485 26 F N 0.786 120.573 119.950 -0.271 0.000 2.629 26 F HA 0.566 5.071 4.527 -0.035 0.000 0.386 26 F C 1.671 177.294 175.800 -0.295 0.000 1.135 26 F CA -0.204 57.605 58.000 -0.317 0.000 1.116 26 F CB 1.232 39.877 39.000 -0.593 0.000 1.426 26 F HN 0.494 nan 8.300 nan 0.000 0.501 27 A N -0.359 122.440 122.820 -0.035 0.000 1.933 27 A HA -0.083 4.219 4.320 -0.031 0.000 0.218 27 A C 1.572 179.098 177.584 -0.098 0.000 1.175 27 A CA 2.393 54.397 52.037 -0.055 0.000 0.628 27 A CB -1.206 17.793 19.000 -0.002 0.000 0.814 27 A HN 0.782 nan 8.150 nan 0.000 0.444 28 T N -4.850 109.571 114.554 -0.221 0.000 3.087 28 T HA 0.351 4.682 4.350 -0.031 0.000 0.283 28 T C 0.330 174.884 174.700 -0.243 0.000 0.956 28 T CA 0.758 62.748 62.100 -0.183 0.000 0.894 28 T CB -0.228 68.567 68.868 -0.120 0.000 1.160 28 T HN 0.730 nan 8.240 nan 0.000 0.532 29 T N -1.179 113.171 114.554 -0.340 0.000 2.787 29 T HA 0.685 5.017 4.350 -0.031 0.000 0.297 29 T C -1.384 173.263 174.700 -0.088 0.000 1.221 29 T CA -0.619 61.331 62.100 -0.251 0.000 1.006 29 T CB 1.966 70.565 68.868 -0.448 0.000 1.328 29 T HN -0.018 nan 8.240 nan 0.000 0.509 30 T N 1.519 116.070 114.554 -0.005 0.000 3.109 30 T HA 0.577 4.908 4.350 -0.031 0.000 0.311 30 T C -0.781 173.976 174.700 0.096 0.000 1.011 30 T CA -0.637 61.474 62.100 0.019 0.000 1.026 30 T CB 1.587 70.436 68.868 -0.032 0.000 1.047 30 T HN 0.711 nan 8.240 nan 0.000 0.448 31 S N 1.768 117.563 115.700 0.159 0.000 2.499 31 S HA 0.366 4.817 4.470 -0.031 0.000 0.279 31 S C 1.526 176.177 174.600 0.085 0.000 1.219 31 S CA -0.646 57.654 58.200 0.166 0.000 1.062 31 S CB 1.204 64.566 63.200 0.270 0.000 0.978 31 S HN 0.918 nan 8.310 nan 0.000 0.489 32 T N -0.557 114.032 114.554 0.057 0.000 3.037 32 T HA 0.210 4.541 4.350 -0.031 0.000 0.251 32 T C 0.234 174.941 174.700 0.012 0.000 1.079 32 T CA -0.065 62.058 62.100 0.039 0.000 1.067 32 T CB -0.205 68.691 68.868 0.046 0.000 0.948 32 T HN 0.782 nan 8.240 nan 0.000 0.496 33 E N 0.174 120.354 120.200 -0.033 0.000 2.392 33 E HA 0.519 4.850 4.350 -0.031 0.000 0.279 33 E C -1.588 174.839 176.600 -0.288 0.000 0.964 33 E CA -1.230 55.104 56.400 -0.110 0.000 0.777 33 E CB 1.132 30.792 29.700 -0.067 0.000 1.249 33 E HN 0.027 nan 8.360 nan 0.000 0.449 34 Q N 1.695 121.330 119.800 -0.274 0.000 2.271 34 Q HA 0.266 4.587 4.340 -0.031 0.000 0.258 34 Q C -1.324 174.461 176.000 -0.359 0.000 0.936 34 Q CA -0.424 55.186 55.803 -0.320 0.000 0.909 34 Q CB 0.892 29.539 28.738 -0.151 0.000 1.253 34 Q HN 0.547 nan 8.270 nan 0.000 0.440 35 H N 4.115 123.171 119.070 -0.022 0.000 2.481 35 H HA 0.540 5.076 4.556 -0.033 0.000 0.339 35 H C -0.352 174.939 175.328 -0.063 0.000 1.131 35 H CA -0.381 55.641 56.048 -0.043 0.000 1.301 35 H CB 0.845 30.592 29.762 -0.026 0.000 1.476 35 H HN 0.608 nan 8.280 nan 0.000 0.529 36 I N 2.803 123.396 120.570 0.040 0.000 2.644 36 I HA 0.035 4.186 4.170 -0.031 0.000 0.291 36 I C -0.953 175.166 176.117 0.002 0.000 1.180 36 I CA -0.813 60.485 61.300 -0.003 0.000 1.040 36 I CB 2.797 40.776 38.000 -0.036 0.000 1.255 36 I HN 0.181 nan 8.210 nan 0.000 0.422 37 L N 7.082 128.315 121.223 0.017 0.000 2.259 37 L HA 0.483 4.804 4.340 -0.031 0.000 0.288 37 L C -1.036 175.869 176.870 0.058 0.000 1.051 37 L CA -0.265 54.594 54.840 0.031 0.000 0.824 37 L CB 1.047 43.125 42.059 0.031 0.000 1.206 37 L HN 0.516 nan 8.230 nan 0.000 0.429 38 L N 6.480 127.745 121.223 0.070 0.000 2.261 38 L HA 0.492 4.813 4.340 -0.031 0.000 0.289 38 L C -0.624 176.340 176.870 0.156 0.000 1.059 38 L CA 0.113 55.032 54.840 0.132 0.000 0.816 38 L CB 1.059 43.197 42.059 0.132 0.000 1.191 38 L HN 0.431 nan 8.230 nan 0.000 0.431 39 V N 3.753 123.763 119.914 0.159 0.000 2.713 39 V HA 0.724 4.826 4.120 -0.031 0.000 0.307 39 V C -0.055 176.113 176.094 0.122 0.000 1.052 39 V CA -0.371 62.001 62.300 0.120 0.000 0.967 39 V CB 1.887 33.754 31.823 0.074 0.000 1.019 39 V HN 0.903 nan 8.190 nan 0.000 0.459 40 S N 2.178 117.881 115.700 0.004 0.000 2.547 40 S HA 0.732 5.184 4.470 -0.031 0.000 0.281 40 S C -1.161 173.211 174.600 -0.380 0.000 1.118 40 S CA -0.752 57.290 58.200 -0.264 0.000 0.947 40 S CB 1.691 64.723 63.200 -0.280 0.000 1.053 40 S HN 0.370 nan 8.310 nan 0.000 0.482 41 V N 4.329 123.965 119.914 -0.464 0.000 2.347 41 V HA 0.388 4.490 4.120 -0.031 0.000 0.280 41 V C -0.538 175.294 176.094 -0.437 0.000 1.021 41 V CA -0.493 61.607 62.300 -0.333 0.000 0.847 41 V CB 0.662 32.370 31.823 -0.192 0.000 0.990 41 V HN 0.890 nan 8.190 nan 0.000 0.444 42 H N 5.816 124.837 119.070 -0.083 0.000 2.594 42 H HA 0.492 5.034 4.556 -0.024 0.000 0.304 42 H C -0.359 174.939 175.328 -0.051 0.000 1.068 42 H CA -0.251 55.757 56.048 -0.066 0.000 1.308 42 H CB 1.533 31.270 29.762 -0.041 0.000 1.409 42 H HN 0.448 nan 8.280 nan 0.000 0.460 43 L N 1.871 123.121 121.223 0.046 0.000 2.360 43 L HA 0.105 4.426 4.340 -0.031 0.000 0.271 43 L C 1.854 178.742 176.870 0.029 0.000 1.057 43 L CA -0.568 54.282 54.840 0.017 0.000 0.803 43 L CB 1.321 43.378 42.059 -0.002 0.000 1.207 43 L HN 0.542 nan 8.230 nan 0.000 0.445 44 E N 2.272 122.479 120.200 0.012 0.000 2.147 44 E HA -0.273 4.058 4.350 -0.031 0.000 0.199 44 E C 1.174 177.785 176.600 0.018 0.000 1.005 44 E CA 2.191 58.597 56.400 0.011 0.000 0.810 44 E CB -0.158 29.543 29.700 0.001 0.000 0.736 44 E HN 0.725 nan 8.360 nan 0.000 0.460 45 N N -1.460 117.253 118.700 0.022 0.000 2.413 45 N HA 0.053 4.775 4.740 -0.031 0.000 0.207 45 N C 1.122 176.652 175.510 0.034 0.000 1.206 45 N CA 0.405 53.472 53.050 0.027 0.000 0.832 45 N CB 0.262 38.768 38.487 0.032 0.000 1.037 45 N HN 0.280 nan 8.380 nan 0.000 0.467 46 G N 0.267 109.090 108.800 0.038 0.000 2.257 46 G HA2 -0.353 3.588 3.960 -0.031 0.000 0.267 46 G HA3 -0.353 3.588 3.960 -0.031 0.000 0.267 46 G C 0.150 175.087 174.900 0.063 0.000 0.984 46 G CA 0.465 45.596 45.100 0.051 0.000 0.626 46 G HN 0.431 nan 8.290 nan 0.000 0.540 47 V N 1.410 121.352 119.914 0.047 0.000 2.843 47 V HA 0.549 4.651 4.120 -0.031 0.000 0.305 47 V C 0.570 176.663 176.094 -0.002 0.000 1.065 47 V CA 0.116 62.437 62.300 0.034 0.000 1.116 47 V CB 0.918 32.761 31.823 0.033 0.000 0.968 47 V HN 0.332 nan 8.190 nan 0.000 0.487 48 I N 5.655 126.194 120.570 -0.053 0.000 2.466 48 I HA 0.573 4.725 4.170 -0.031 0.000 0.289 48 I C 0.466 176.336 176.117 -0.412 0.000 1.026 48 I CA -0.438 60.704 61.300 -0.263 0.000 1.078 48 I CB 1.795 39.654 38.000 -0.234 0.000 1.249 48 I HN 0.736 nan 8.210 nan 0.000 0.429 49 G N 4.772 113.265 108.800 -0.511 0.000 2.400 49 G HA2 0.678 4.619 3.960 -0.031 0.000 0.333 49 G HA3 0.678 4.619 3.960 -0.031 0.000 0.333 49 G C -1.675 172.859 174.900 -0.610 0.000 1.143 49 G CA -0.253 44.618 45.100 -0.381 0.000 0.914 49 G HN 0.387 nan 8.290 nan 0.000 0.480 50 Y N -0.462 119.846 120.300 0.014 0.000 2.499 50 Y HA 0.703 5.224 4.550 -0.049 0.000 0.347 50 Y C 0.647 176.574 175.900 0.045 0.000 0.987 50 Y CA -0.597 57.520 58.100 0.028 0.000 1.044 50 Y CB 2.908 41.398 38.460 0.050 0.000 1.245 50 Y HN 0.819 nan 8.280 nan 0.000 0.461 51 G N 1.204 110.130 108.800 0.209 0.000 2.696 51 G HA2 0.603 4.544 3.960 -0.031 0.000 0.295 51 G HA3 0.603 4.544 3.960 -0.031 0.000 0.295 51 G C -1.754 173.225 174.900 0.131 0.000 1.398 51 G CA -0.906 44.276 45.100 0.137 0.000 0.920 51 G HN 0.508 nan 8.290 nan 0.000 0.492 52 E N -0.104 120.152 120.200 0.093 0.000 2.171 52 E HA 0.511 4.843 4.350 -0.031 0.000 0.271 52 E C -0.117 176.510 176.600 0.044 0.000 0.916 52 E CA -0.800 55.646 56.400 0.078 0.000 0.774 52 E CB 2.126 31.870 29.700 0.073 0.000 1.128 52 E HN 0.527 nan 8.360 nan 0.000 0.403 53 G N 2.209 111.035 108.800 0.043 0.000 2.741 53 G HA2 0.413 4.354 3.960 -0.031 0.000 0.336 53 G HA3 0.413 4.354 3.960 -0.031 0.000 0.336 53 G C -0.954 173.942 174.900 -0.006 0.000 1.022 53 G CA -0.213 44.908 45.100 0.035 0.000 1.193 53 G HN 0.300 nan 8.290 nan 0.000 0.455 54 V N 3.439 123.330 119.914 -0.038 0.000 2.876 54 V HA 0.823 4.924 4.120 -0.031 0.000 0.312 54 V C -0.566 175.334 176.094 -0.323 0.000 1.085 54 V CA -0.607 61.615 62.300 -0.131 0.000 0.945 54 V CB 2.358 34.123 31.823 -0.097 0.000 1.017 54 V HN 0.885 nan 8.190 nan 0.000 0.428 55 V N 2.876 122.528 119.914 -0.437 0.000 3.040 55 V HA 0.755 4.856 4.120 -0.031 0.000 0.312 55 V C -2.859 172.929 176.094 -0.511 0.000 1.115 55 V CA -2.778 59.073 62.300 -0.748 0.000 0.998 55 V CB 1.778 33.077 31.823 -0.873 0.000 1.042 55 V HN 0.743 nan 8.190 nan 0.000 0.433 56 P HA 0.323 nan 4.420 nan 0.000 0.266 56 P C 0.967 178.178 177.300 -0.148 0.000 1.419 56 P CA 1.742 64.638 63.100 -0.340 0.000 1.112 56 P CB 0.290 31.721 31.700 -0.448 0.000 1.438 57 G N 2.588 111.454 108.800 0.109 0.000 4.365 57 G HA2 -0.099 3.843 3.960 -0.031 0.000 0.214 57 G HA3 -0.099 3.843 3.960 -0.031 0.000 0.214 57 G C 0.381 175.477 174.900 0.326 0.000 1.450 57 G CA -0.098 45.217 45.100 0.358 0.000 0.937 57 G HN 0.848 nan 8.290 nan 0.000 0.625 58 G N -1.084 107.842 108.800 0.208 0.000 2.570 58 G HA2 0.703 4.644 3.960 -0.031 0.000 0.310 58 G HA3 0.703 4.644 3.960 -0.031 0.000 0.310 58 G C -2.347 172.456 174.900 -0.161 0.000 1.266 58 G CA 0.651 45.824 45.100 0.122 0.000 0.825 58 G HN 0.554 nan 8.290 nan 0.000 0.483 59 P HA -0.015 nan 4.420 nan 0.000 0.239 59 P C 1.380 178.657 177.300 -0.037 0.000 1.184 59 P CA 0.780 63.844 63.100 -0.059 0.000 0.760 59 P CB -0.101 31.609 31.700 0.018 0.000 0.884 60 W N -1.969 119.345 121.300 0.024 0.000 2.519 60 W HA -0.033 4.611 4.660 -0.027 0.000 0.266 60 W C 1.618 178.148 176.519 0.018 0.000 1.253 60 W CA -0.313 57.038 57.345 0.010 0.000 1.274 60 W CB -1.705 27.746 29.460 -0.014 0.000 1.114 60 W HN -0.036 nan 8.180 nan 0.000 0.596 61 W N 2.005 122.534 121.300 -1.285 0.000 2.407 61 W HA 0.134 4.790 4.660 -0.007 0.000 0.305 61 W C 2.037 178.324 176.519 -0.386 0.000 1.196 61 W CA 3.212 59.844 57.345 -1.188 0.000 1.311 61 W CB -0.286 28.307 29.460 -1.446 0.000 1.135 61 W HN -0.075 nan 8.180 nan 0.000 0.514 62 G N -2.312 106.568 108.800 0.133 0.000 4.956 62 G HA2 0.366 4.307 3.960 -0.031 0.000 0.263 62 G HA3 0.366 4.307 3.960 -0.031 0.000 0.263 62 G C 0.646 175.749 174.900 0.339 0.000 0.958 62 G CA -0.151 45.196 45.100 0.412 0.000 0.749 62 G HN 0.777 nan 8.290 nan 0.000 0.356 63 G N -0.013 108.867 108.800 0.134 0.000 2.241 63 G HA2 -0.236 3.705 3.960 -0.031 0.000 0.244 63 G HA3 -0.236 3.705 3.960 -0.031 0.000 0.244 63 G C 0.080 175.028 174.900 0.081 0.000 0.998 63 G CA 0.344 45.505 45.100 0.101 0.000 0.621 63 G HN 0.545 nan 8.290 nan 0.000 0.519 64 E N 0.807 121.050 120.200 0.072 0.000 2.204 64 E HA 0.599 4.930 4.350 -0.031 0.000 0.276 64 E C 0.093 176.640 176.600 -0.090 0.000 0.974 64 E CA 0.123 56.533 56.400 0.017 0.000 0.815 64 E CB 1.660 31.404 29.700 0.073 0.000 1.119 64 E HN 0.489 nan 8.360 nan 0.000 0.393 65 S N 0.647 116.315 115.700 -0.054 0.000 2.632 65 S HA 0.194 4.645 4.470 -0.031 0.000 0.289 65 S C 0.650 175.220 174.600 -0.050 0.000 1.115 65 S CA -0.830 57.329 58.200 -0.068 0.000 0.889 65 S CB 1.533 64.709 63.200 -0.039 0.000 1.116 65 S HN 0.325 nan 8.310 nan 0.000 0.486 66 V N 1.238 121.123 119.914 -0.050 0.000 2.546 66 V HA -0.173 3.929 4.120 -0.031 0.000 0.254 66 V C 1.983 178.065 176.094 -0.020 0.000 1.076 66 V CA 2.695 64.979 62.300 -0.027 0.000 1.087 66 V CB -1.077 30.737 31.823 -0.014 0.000 0.674 66 V HN 0.936 nan 8.190 nan 0.000 0.470 67 E N -0.133 120.049 120.200 -0.031 0.000 2.076 67 E HA 0.001 4.332 4.350 -0.031 0.000 0.190 67 E C 1.417 178.022 176.600 0.008 0.000 0.979 67 E CA 0.854 57.245 56.400 -0.015 0.000 0.807 67 E CB -0.469 29.216 29.700 -0.024 0.000 0.761 67 E HN 0.589 nan 8.360 nan 0.000 0.454 71 A N 1.856 124.720 122.820 0.074 0.000 1.933 71 A HA 0.003 4.304 4.320 -0.031 0.000 0.218 71 A C 1.901 179.600 177.584 0.191 0.000 1.175 71 A CA 1.297 53.399 52.037 0.109 0.000 0.628 71 A CB -0.442 18.619 19.000 0.102 0.000 0.814 71 A HN 0.288 nan 8.150 nan 0.000 0.444 72 L N -0.972 120.352 121.223 0.169 0.000 2.095 72 L HA -0.083 4.238 4.340 -0.031 0.000 0.204 72 L C 2.507 179.503 176.870 0.210 0.000 1.080 72 L CA 0.653 55.631 54.840 0.229 0.000 0.759 72 L CB -0.522 41.596 42.059 0.099 0.000 0.914 72 L HN 0.221 nan 8.230 nan 0.000 0.439 73 V N 0.137 120.126 119.914 0.125 0.000 2.237 73 V HA -0.302 3.800 4.120 -0.031 0.000 0.245 73 V C 2.123 178.262 176.094 0.076 0.000 1.046 73 V CA 2.081 64.436 62.300 0.092 0.000 1.007 73 V CB -0.500 31.364 31.823 0.070 0.000 0.638 73 V HN 0.447 nan 8.190 nan 0.000 0.445 74 D N 0.421 120.858 120.400 0.062 0.000 2.117 74 D HA -0.080 4.541 4.640 -0.031 0.000 0.198 74 D C 2.133 178.421 176.300 -0.020 0.000 0.982 74 D CA 1.677 55.692 54.000 0.026 0.000 0.828 74 D CB -0.438 40.375 40.800 0.022 0.000 0.967 74 D HN 0.506 nan 8.370 nan 0.000 0.464 75 G N -1.309 107.478 108.800 -0.023 0.000 2.453 75 G HA2 -0.116 3.826 3.960 -0.031 0.000 0.215 75 G HA3 -0.116 3.826 3.960 -0.031 0.000 0.215 75 G C 0.918 175.513 174.900 -0.509 0.000 1.147 75 G CA 0.374 45.315 45.100 -0.266 0.000 0.802 75 G HN 0.267 nan 8.290 nan 0.000 0.535 76 Y N -0.985 119.322 120.300 0.012 0.000 2.723 76 Y HA 0.371 4.901 4.550 -0.033 0.000 0.272 76 Y C 2.409 178.314 175.900 0.008 0.000 1.142 76 Y CA -0.393 57.713 58.100 0.010 0.000 1.217 76 Y CB 0.029 38.496 38.460 0.012 0.000 1.391 76 Y HN -0.047 nan 8.280 nan 0.000 0.479 77 L N -0.237 121.090 121.223 0.174 0.000 2.044 77 L HA -0.047 4.274 4.340 -0.031 0.000 0.205 77 L C 2.649 179.549 176.870 0.051 0.000 1.075 77 L CA 1.140 56.037 54.840 0.096 0.000 0.747 77 L CB -0.833 41.275 42.059 0.082 0.000 0.903 77 L HN 0.230 nan 8.230 nan 0.000 0.435 78 A N 1.339 124.184 122.820 0.041 0.000 1.859 78 A HA -0.168 4.133 4.320 -0.031 0.000 0.217 78 A C 0.047 177.633 177.584 0.003 0.000 1.198 78 A CA 2.201 54.248 52.037 0.018 0.000 0.629 78 A CB -2.135 16.875 19.000 0.017 0.000 0.830 78 A HN 0.327 nan 8.150 nan 0.000 0.446 79 P HA -0.089 nan 4.420 nan 0.000 0.224 79 P C 1.299 178.594 177.300 -0.009 0.000 1.142 79 P CA 1.332 64.423 63.100 -0.014 0.000 0.778 79 P CB -0.202 31.480 31.700 -0.031 0.000 0.764 80 V N -0.834 119.080 119.914 -0.001 0.000 2.591 80 V HA -0.163 3.938 4.120 -0.031 0.000 0.249 80 V C 2.530 178.612 176.094 -0.020 0.000 1.053 80 V CA 1.298 63.596 62.300 -0.004 0.000 1.068 80 V CB -0.939 30.887 31.823 0.006 0.000 0.689 80 V HN 0.002 nan 8.190 nan 0.000 0.462 81 L N -0.610 120.599 121.223 -0.024 0.000 2.068 81 L HA 0.104 4.425 4.340 -0.031 0.000 0.204 81 L C 1.138 177.983 176.870 -0.042 0.000 1.076 81 L CA 0.996 55.811 54.840 -0.042 0.000 0.753 81 L CB -0.594 41.438 42.059 -0.045 0.000 0.910 81 L HN 0.132 nan 8.230 nan 0.000 0.439 82 I N 1.096 121.650 120.570 -0.028 0.000 3.045 82 I HA -0.067 4.084 4.170 -0.031 0.000 0.306 82 I C 1.413 177.513 176.117 -0.028 0.000 1.232 82 I CA 1.195 62.481 61.300 -0.023 0.000 1.415 82 I CB -0.713 37.278 38.000 -0.015 0.000 1.364 82 I HN 0.554 nan 8.210 nan 0.000 0.538 83 G N 4.968 113.749 108.800 -0.031 0.000 2.176 83 G HA2 -0.228 3.713 3.960 -0.031 0.000 0.232 83 G HA3 -0.228 3.713 3.960 -0.031 0.000 0.232 83 G C 0.217 175.091 174.900 -0.043 0.000 0.986 83 G CA -0.470 44.611 45.100 -0.032 0.000 0.643 83 G HN 0.596 nan 8.290 nan 0.000 0.522 84 R N 0.224 120.689 120.500 -0.058 0.000 2.711 84 R HA 0.737 5.059 4.340 -0.031 0.000 0.284 84 R C 0.430 176.664 176.300 -0.109 0.000 0.968 84 R CA -0.184 55.869 56.100 -0.078 0.000 0.924 84 R CB 1.679 31.930 30.300 -0.082 0.000 1.162 84 R HN 0.507 nan 8.270 nan 0.000 0.465 85 A N 1.531 124.276 122.820 -0.126 0.000 2.462 85 A HA 0.047 4.348 4.320 -0.031 0.000 0.243 85 A C 1.083 178.497 177.584 -0.284 0.000 1.076 85 A CA -0.335 51.598 52.037 -0.174 0.000 0.773 85 A CB 0.703 19.609 19.000 -0.156 0.000 1.010 85 A HN 0.645 nan 8.150 nan 0.000 0.493 86 V N 2.890 122.587 119.914 -0.362 0.000 3.383 86 V HA -0.102 4.000 4.120 -0.031 0.000 0.272 86 V C 2.047 177.525 176.094 -1.027 0.000 1.181 86 V CA 2.276 64.262 62.300 -0.524 0.000 1.171 86 V CB -0.754 30.816 31.823 -0.421 0.000 0.800 86 V HN 1.136 nan 8.190 nan 0.000 0.515 87 S N -0.927 114.189 115.700 -0.974 0.000 2.660 87 S HA 0.070 4.521 4.470 -0.031 0.000 0.223 87 S C 1.035 175.229 174.600 -0.677 0.000 0.963 87 S CA 0.605 58.089 58.200 -1.195 0.000 0.932 87 S CB -0.283 62.681 63.200 -0.392 0.000 0.775 87 S HN 0.813 nan 8.310 nan 0.000 0.531 88 E N 0.447 120.342 120.200 -0.508 0.000 2.569 88 E HA 0.237 4.568 4.350 -0.031 0.000 0.205 88 E C 1.001 177.446 176.600 -0.258 0.000 1.006 88 E CA -0.347 55.888 56.400 -0.276 0.000 0.985 88 E CB 0.191 29.779 29.700 -0.187 0.000 1.060 88 E HN 0.249 nan 8.360 nan 0.000 0.460 89 L N 1.553 122.542 121.223 -0.390 0.000 2.064 89 L HA -0.300 4.021 4.340 -0.031 0.000 0.216 89 L C 2.095 178.894 176.870 -0.119 0.000 1.077 89 L CA 2.384 57.057 54.840 -0.278 0.000 0.766 89 L CB -0.661 41.194 42.059 -0.341 0.000 0.890 89 L HN 0.212 nan 8.230 nan 0.000 0.435 90 A N -1.227 121.560 122.820 -0.056 0.000 1.872 90 A HA 0.076 4.378 4.320 -0.031 0.000 0.214 90 A C 2.347 179.924 177.584 -0.013 0.000 1.187 90 A CA 1.200 53.239 52.037 0.003 0.000 0.614 90 A CB -1.366 17.660 19.000 0.044 0.000 0.826 90 A HN 0.499 nan 8.150 nan 0.000 0.442 91 G N -0.131 108.649 108.800 -0.033 0.000 2.432 91 G HA2 0.012 3.953 3.960 -0.031 0.000 0.219 91 G HA3 0.012 3.953 3.960 -0.031 0.000 0.219 91 G C 0.933 175.812 174.900 -0.035 0.000 1.135 91 G CA 0.603 45.685 45.100 -0.030 0.000 0.767 91 G HN 0.460 nan 8.290 nan 0.000 0.550 95 D N 0.881 121.280 120.400 -0.001 0.000 2.219 95 D HA -0.021 4.600 4.640 -0.031 0.000 0.205 95 D C 1.862 178.167 176.300 0.009 0.000 0.970 95 D CA 0.975 54.975 54.000 0.001 0.000 0.851 95 D CB -0.015 40.781 40.800 -0.007 0.000 0.943 95 D HN 0.536 nan 8.370 nan 0.000 0.488 96 L N 1.050 122.280 121.223 0.011 0.000 2.046 96 L HA -0.141 4.180 4.340 -0.031 0.000 0.208 96 L C 2.266 179.149 176.870 0.022 0.000 1.077 96 L CA 0.906 55.759 54.840 0.022 0.000 0.747 96 L CB -0.349 41.724 42.059 0.023 0.000 0.896 96 L HN -0.088 nan 8.230 nan 0.000 0.432 97 E N 0.497 120.707 120.200 0.015 0.000 2.273 97 E HA -0.221 4.111 4.350 -0.031 0.000 0.198 97 E C 2.156 178.761 176.600 0.009 0.000 1.002 97 E CA 1.058 57.464 56.400 0.011 0.000 0.828 97 E CB -0.197 29.509 29.700 0.009 0.000 0.747 97 E HN 0.515 nan 8.360 nan 0.000 0.491 98 R N 0.190 120.698 120.500 0.012 0.000 2.236 98 R HA -0.031 4.290 4.340 -0.031 0.000 0.208 98 R C 2.180 178.492 176.300 0.021 0.000 1.036 98 R CA 0.971 57.078 56.100 0.013 0.000 1.001 98 R CB 0.218 30.526 30.300 0.013 0.000 0.896 98 R HN 0.141 nan 8.270 nan 0.000 0.464 99 V N -4.325 115.607 119.914 0.030 0.000 3.612 99 V HA 0.292 4.393 4.120 -0.031 0.000 0.268 99 V C 0.343 176.444 176.094 0.012 0.000 1.365 99 V CA -0.233 62.097 62.300 0.051 0.000 1.044 99 V CB 1.096 32.982 31.823 0.104 0.000 0.820 99 V HN -0.185 nan 8.190 nan 0.000 0.444 100 V N 1.338 121.249 119.914 -0.005 0.000 2.655 100 V HA 0.851 4.953 4.120 -0.031 0.000 0.301 100 V C 0.043 176.122 176.094 -0.026 0.000 1.082 100 V CA -0.210 62.062 62.300 -0.046 0.000 0.899 100 V CB 1.315 33.117 31.823 -0.035 0.000 1.014 100 V HN 0.541 nan 8.190 nan 0.000 0.429 101 A N 5.054 127.850 122.820 -0.039 0.000 2.293 101 A HA 0.911 5.212 4.320 -0.031 0.000 0.302 101 A C 0.736 178.311 177.584 -0.016 0.000 1.119 101 A CA -0.127 51.895 52.037 -0.024 0.000 0.823 101 A CB 0.553 19.533 19.000 -0.033 0.000 1.097 101 A HN 0.990 nan 8.150 nan 0.000 0.491 102 R N 0.336 120.835 120.500 -0.002 0.000 3.923 102 R HA -0.282 4.040 4.340 -0.031 0.000 0.400 102 R C 0.986 177.326 176.300 0.067 0.000 0.241 102 R CA 1.182 57.294 56.100 0.021 0.000 1.284 102 R CB -1.865 28.424 30.300 -0.020 0.000 1.006 102 R HN 2.520 nan 8.270 nan 0.000 0.559 103 A N 1.022 123.906 122.820 0.106 0.000 2.704 103 A HA -0.278 4.023 4.320 -0.031 0.000 0.299 103 A C 1.326 179.004 177.584 0.156 0.000 1.507 103 A CA 1.795 53.919 52.037 0.144 0.000 0.776 103 A CB -0.849 18.193 19.000 0.070 0.000 1.027 103 A HN 0.464 nan 8.150 nan 0.000 0.475 104 R N -1.450 119.169 120.500 0.198 0.000 2.105 104 R HA -0.177 4.145 4.340 -0.031 0.000 0.239 104 R C 1.494 177.786 176.300 -0.014 0.000 1.135 104 R CA 2.145 58.300 56.100 0.091 0.000 0.967 104 R CB -0.629 29.743 30.300 0.120 0.000 0.861 104 R HN 0.790 nan 8.270 nan 0.000 0.442 105 Y N 0.792 121.106 120.300 0.022 0.000 2.224 105 Y HA -0.183 4.341 4.550 -0.043 0.000 0.289 105 Y C 2.505 178.376 175.900 -0.049 0.000 1.146 105 Y CA 1.509 59.554 58.100 -0.092 0.000 1.182 105 Y CB -0.411 37.963 38.460 -0.144 0.000 0.983 105 Y HN 0.120 nan 8.280 nan 0.000 0.524 106 A N -0.263 122.647 122.820 0.150 0.000 1.930 106 A HA -0.122 4.179 4.320 -0.031 0.000 0.215 106 A C 2.108 179.732 177.584 0.066 0.000 1.176 106 A CA 1.305 53.400 52.037 0.096 0.000 0.632 106 A CB -0.358 18.697 19.000 0.092 0.000 0.819 106 A HN 0.363 nan 8.150 nan 0.000 0.445 107 K N -0.029 120.405 120.400 0.056 0.000 2.211 107 K HA 0.027 4.328 4.320 -0.031 0.000 0.203 107 K C 2.131 178.746 176.600 0.026 0.000 1.050 107 K CA 0.881 57.192 56.287 0.040 0.000 0.945 107 K CB -0.245 32.277 32.500 0.037 0.000 0.732 107 K HN 0.427 nan 8.250 nan 0.000 0.451 108 A N 1.515 124.337 122.820 0.003 0.000 1.972 108 A HA -0.101 4.201 4.320 -0.031 0.000 0.219 108 A C 2.336 179.928 177.584 0.013 0.000 1.169 108 A CA 1.705 53.730 52.037 -0.020 0.000 0.635 108 A CB -0.544 18.399 19.000 -0.095 0.000 0.810 108 A HN 0.318 nan 8.150 nan 0.000 0.446 109 A N -0.361 122.477 122.820 0.030 0.000 1.877 109 A HA -0.004 4.297 4.320 -0.031 0.000 0.216 109 A C 2.219 179.832 177.584 0.048 0.000 1.186 109 A CA 1.804 53.869 52.037 0.046 0.000 0.620 109 A CB -0.983 18.050 19.000 0.054 0.000 0.822 109 A HN 0.407 nan 8.150 nan 0.000 0.443 110 V N 1.013 120.951 119.914 0.040 0.000 2.287 110 V HA -0.288 3.813 4.120 -0.031 0.000 0.248 110 V C 2.477 178.592 176.094 0.035 0.000 1.053 110 V CA 2.345 64.662 62.300 0.027 0.000 1.027 110 V CB -0.850 30.986 31.823 0.022 0.000 0.646 110 V HN 0.739 nan 8.190 nan 0.000 0.447 111 D N 0.503 120.937 120.400 0.057 0.000 2.092 111 D HA -0.171 4.450 4.640 -0.031 0.000 0.193 111 D C 2.063 178.490 176.300 0.213 0.000 0.994 111 D CA 1.956 56.026 54.000 0.117 0.000 0.828 111 D CB 0.008 40.886 40.800 0.130 0.000 0.963 111 D HN 0.306 nan 8.370 nan 0.000 0.450 112 V N 1.462 121.468 119.914 0.154 0.000 2.594 112 V HA -0.088 4.013 4.120 -0.031 0.000 0.253 112 V C 1.711 177.891 176.094 0.144 0.000 1.069 112 V CA 1.035 63.428 62.300 0.155 0.000 1.082 112 V CB -0.869 31.003 31.823 0.081 0.000 0.680 112 V HN 0.348 nan 8.190 nan 0.000 0.469 116 D N 1.605 122.135 120.400 0.217 0.000 2.084 116 D HA -0.022 4.599 4.640 -0.031 0.000 0.194 116 D C 2.168 178.532 176.300 0.107 0.000 0.990 116 D CA 1.829 55.913 54.000 0.139 0.000 0.826 116 D CB 0.052 40.916 40.800 0.107 0.000 0.971 116 D HN 0.349 nan 8.370 nan 0.000 0.453 117 A N -0.140 122.720 122.820 0.067 0.000 1.865 117 A HA -0.178 4.123 4.320 -0.031 0.000 0.217 117 A C 2.212 179.893 177.584 0.161 0.000 1.191 117 A CA 1.663 53.727 52.037 0.046 0.000 0.623 117 A CB -1.498 17.487 19.000 -0.026 0.000 0.826 117 A HN 0.547 nan 8.150 nan 0.000 0.444 118 W N 0.537 121.820 121.300 -0.028 0.000 2.358 118 W HA -0.090 4.545 4.660 -0.042 0.000 0.303 118 W C 2.622 179.146 176.519 0.009 0.000 1.208 118 W CA 1.437 58.771 57.345 -0.018 0.000 1.274 118 W CB -0.748 28.688 29.460 -0.040 0.000 1.138 118 W HN 0.401 nan 8.180 nan 0.000 0.515 119 A N 0.456 123.370 122.820 0.157 0.000 1.908 119 A HA -0.213 4.088 4.320 -0.031 0.000 0.218 119 A C 2.130 179.725 177.584 0.019 0.000 1.181 119 A CA 2.023 54.068 52.037 0.013 0.000 0.627 119 A CB -0.755 18.277 19.000 0.053 0.000 0.818 119 A HN 0.359 nan 8.150 nan 0.000 0.445 120 R N -0.499 120.038 120.500 0.062 0.000 2.075 120 R HA -0.051 4.270 4.340 -0.031 0.000 0.232 120 R C 2.526 178.857 176.300 0.052 0.000 1.126 120 R CA 1.422 57.553 56.100 0.050 0.000 0.963 120 R CB -0.398 29.936 30.300 0.057 0.000 0.858 120 R HN 0.489 nan 8.270 nan 0.000 0.435 121 S N 1.070 116.823 115.700 0.088 0.000 2.400 121 S HA -0.082 4.369 4.470 -0.031 0.000 0.232 121 S C 1.701 176.342 174.600 0.068 0.000 1.025 121 S CA 1.065 59.325 58.200 0.100 0.000 0.993 121 S CB -0.049 63.259 63.200 0.180 0.000 0.808 121 S HN 0.246 nan 8.310 nan 0.000 0.478 122 L N 0.824 122.061 121.223 0.024 0.000 2.607 122 L HA 0.252 4.574 4.340 -0.031 0.000 0.228 122 L C 0.584 177.433 176.870 -0.036 0.000 1.123 122 L CA -0.043 54.777 54.840 -0.033 0.000 0.890 122 L CB -0.431 41.538 42.059 -0.151 0.000 1.103 122 L HN 0.269 nan 8.230 nan 0.000 0.468 123 N N 0.417 119.107 118.700 -0.016 0.000 2.783 123 N HA -0.160 4.561 4.740 -0.031 0.000 0.247 123 N C -0.727 174.766 175.510 -0.029 0.000 1.089 123 N CA 0.853 53.895 53.050 -0.013 0.000 0.690 123 N CB -0.976 37.506 38.487 -0.008 0.000 0.991 123 N HN 0.240 nan 8.380 nan 0.000 0.552 124 V N -4.041 115.847 119.914 -0.042 0.000 3.078 124 V HA 0.890 4.991 4.120 -0.031 0.000 0.311 124 V C -2.514 173.558 176.094 -0.036 0.000 1.138 124 V CA -2.149 60.121 62.300 -0.050 0.000 1.007 124 V CB 2.222 33.995 31.823 -0.084 0.000 1.045 124 V HN -0.091 nan 8.190 nan 0.000 0.432 125 P HA 0.270 nan 4.420 nan 0.000 0.272 125 P C 1.036 178.326 177.300 -0.016 0.000 1.230 125 P CA -0.067 63.024 63.100 -0.015 0.000 0.788 125 P CB 0.896 32.585 31.700 -0.019 0.000 0.949 126 V N 2.509 122.427 119.914 0.007 0.000 2.332 126 V HA -0.289 3.813 4.120 -0.031 0.000 0.248 126 V C 2.471 178.556 176.094 -0.016 0.000 1.055 126 V CA 2.350 64.660 62.300 0.018 0.000 1.038 126 V CB -1.228 30.615 31.823 0.034 0.000 0.651 126 V HN 0.665 nan 8.190 nan 0.000 0.450 127 R N 0.501 120.984 120.500 -0.027 0.000 2.139 127 R HA -0.221 4.100 4.340 -0.031 0.000 0.243 127 R C 1.536 177.801 176.300 -0.058 0.000 1.145 127 R CA 2.154 58.225 56.100 -0.049 0.000 0.976 127 R CB -0.843 29.425 30.300 -0.053 0.000 0.866 127 R HN 0.375 nan 8.270 nan 0.000 0.449 128 D N 0.720 121.085 120.400 -0.058 0.000 2.378 128 D HA -0.023 4.598 4.640 -0.031 0.000 0.222 128 D C 1.533 177.778 176.300 -0.091 0.000 0.980 128 D CA 0.766 54.722 54.000 -0.073 0.000 0.907 128 D CB 0.127 40.880 40.800 -0.077 0.000 0.899 128 D HN 0.343 nan 8.370 nan 0.000 0.527 129 L N -0.569 120.608 121.223 -0.077 0.000 2.616 129 L HA 0.179 4.501 4.340 -0.031 0.000 0.229 129 L C 0.957 177.822 176.870 -0.009 0.000 1.110 129 L CA 0.201 54.996 54.840 -0.074 0.000 0.884 129 L CB 0.449 42.493 42.059 -0.024 0.000 1.115 129 L HN -0.067 nan 8.230 nan 0.000 0.481 130 L N -0.516 120.689 121.223 -0.030 0.000 3.154 130 L HA 0.431 4.753 4.340 -0.031 0.000 0.266 130 L C 1.087 177.919 176.870 -0.063 0.000 1.300 130 L CA 0.166 54.988 54.840 -0.031 0.000 1.028 130 L CB 0.383 42.412 42.059 -0.050 0.000 1.412 130 L HN 0.257 nan 8.230 nan 0.000 0.564 131 G N -0.820 107.948 108.800 -0.053 0.000 2.232 131 G HA2 -0.058 3.883 3.960 -0.031 0.000 0.226 131 G HA3 -0.058 3.883 3.960 -0.031 0.000 0.226 131 G C 0.575 175.437 174.900 -0.065 0.000 0.996 131 G CA -0.241 44.824 45.100 -0.059 0.000 0.626 131 G HN 0.985 nan 8.290 nan 0.000 0.509 132 G N -1.821 106.937 108.800 -0.071 0.000 2.447 132 G HA2 0.472 4.414 3.960 -0.031 0.000 0.220 132 G HA3 0.472 4.414 3.960 -0.031 0.000 0.220 132 G C 0.032 174.889 174.900 -0.072 0.000 1.261 132 G CA 0.836 45.897 45.100 -0.065 0.000 1.000 132 G HN 2.284 nan 8.290 nan 0.000 0.515 133 T N -1.466 113.051 114.554 -0.061 0.000 2.779 133 T HA 0.624 4.956 4.350 -0.031 0.000 0.280 133 T C 0.950 175.614 174.700 -0.060 0.000 0.987 133 T CA 0.443 62.505 62.100 -0.063 0.000 0.966 133 T CB 1.593 70.431 68.868 -0.050 0.000 0.933 133 T HN 1.285 nan 8.240 nan 0.000 0.442 134 V N 3.997 123.869 119.914 -0.070 0.000 3.431 134 V HA 0.318 4.419 4.120 -0.031 0.000 0.253 134 V C 1.006 177.068 176.094 -0.052 0.000 1.184 134 V CA 0.667 62.929 62.300 -0.063 0.000 1.104 134 V CB -0.675 31.101 31.823 -0.078 0.000 0.799 134 V HN 0.958 nan 8.190 nan 0.000 0.462 135 R N 0.194 120.661 120.500 -0.054 0.000 2.663 135 R HA 0.423 4.745 4.340 -0.031 0.000 0.267 135 R C -1.383 174.892 176.300 -0.042 0.000 1.038 135 R CA -0.271 55.803 56.100 -0.044 0.000 0.886 135 R CB 1.048 31.322 30.300 -0.044 0.000 1.249 135 R HN 0.154 nan 8.270 nan 0.000 0.463 136 D N 0.568 120.947 120.400 -0.034 0.000 2.462 136 D HA 0.161 4.783 4.640 -0.031 0.000 0.221 136 D C -0.622 175.659 176.300 -0.032 0.000 1.173 136 D CA -0.356 53.624 54.000 -0.032 0.000 0.831 136 D CB 0.326 41.110 40.800 -0.026 0.000 1.001 136 D HN 0.628 nan 8.370 nan 0.000 0.499 137 K N -0.716 119.663 120.400 -0.035 0.000 2.598 137 K HA 0.533 4.834 4.320 -0.031 0.000 0.271 137 K C -1.436 175.141 176.600 -0.037 0.000 0.947 137 K CA -1.141 55.124 56.287 -0.037 0.000 0.854 137 K CB 1.794 34.278 32.500 -0.027 0.000 1.401 137 K HN 0.005 nan 8.250 nan 0.000 0.415 138 V N -1.804 118.084 119.914 -0.042 0.000 2.962 138 V HA 0.548 4.649 4.120 -0.031 0.000 0.313 138 V C -0.944 175.134 176.094 -0.026 0.000 1.099 138 V CA -0.857 61.419 62.300 -0.040 0.000 0.971 138 V CB 1.903 33.692 31.823 -0.057 0.000 1.028 138 V HN 0.840 nan 8.190 nan 0.000 0.430 139 D N 1.582 121.968 120.400 -0.024 0.000 2.357 139 D HA 0.546 5.167 4.640 -0.031 0.000 0.242 139 D C -0.484 175.818 176.300 0.003 0.000 1.153 139 D CA 0.171 54.164 54.000 -0.011 0.000 0.918 139 D CB 2.086 42.867 40.800 -0.031 0.000 1.181 139 D HN 0.539 nan 8.370 nan 0.000 0.435 140 V N 0.827 120.767 119.914 0.042 0.000 2.709 140 V HA 0.343 4.445 4.120 -0.031 0.000 0.308 140 V C 0.200 176.346 176.094 0.086 0.000 1.062 140 V CA -0.815 61.545 62.300 0.101 0.000 0.901 140 V CB 2.082 34.031 31.823 0.210 0.000 1.003 140 V HN 0.710 nan 8.190 nan 0.000 0.425 141 T N 0.796 115.433 114.554 0.139 0.000 2.829 141 T HA 0.459 4.790 4.350 -0.031 0.000 0.282 141 T C -0.626 174.208 174.700 0.224 0.000 0.990 141 T CA -0.513 61.634 62.100 0.080 0.000 1.028 141 T CB 1.653 70.569 68.868 0.079 0.000 0.951 141 T HN 0.734 nan 8.240 nan 0.000 0.460 142 W N 3.158 124.399 121.300 -0.097 0.000 2.361 142 W HA 0.588 5.227 4.660 -0.034 0.000 0.309 142 W C -0.863 175.663 176.519 0.013 0.000 1.122 142 W CA -1.158 56.127 57.345 -0.100 0.000 1.208 142 W CB 1.143 30.615 29.460 0.020 0.000 1.246 142 W HN 0.978 nan 8.180 nan 0.000 0.490 143 A N 6.902 129.135 122.820 -0.978 0.000 2.260 143 A HA 0.589 4.890 4.320 -0.031 0.000 0.314 143 A C -1.365 175.753 177.584 -0.776 0.000 1.257 143 A CA -0.630 51.082 52.037 -0.542 0.000 0.871 143 A CB 0.767 19.737 19.000 -0.049 0.000 1.166 143 A HN 0.559 nan 8.150 nan 0.000 0.522 144 L N 2.899 123.928 121.223 -0.323 0.000 2.275 144 L HA 0.540 4.861 4.340 -0.031 0.000 0.288 144 L C 1.198 177.929 176.870 -0.232 0.000 1.046 144 L CA 0.237 54.958 54.840 -0.199 0.000 0.805 144 L CB 1.179 43.219 42.059 -0.030 0.000 1.193 144 L HN 0.801 nan 8.230 nan 0.000 0.426 145 G N 1.546 110.128 108.800 -0.363 0.000 2.683 145 G HA2 0.260 4.202 3.960 -0.031 0.000 0.260 145 G HA3 0.260 4.202 3.960 -0.031 0.000 0.260 145 G C -0.192 174.514 174.900 -0.324 0.000 1.238 145 G CA -0.592 44.157 45.100 -0.586 0.000 0.934 145 G HN 0.510 nan 8.290 nan 0.000 0.534 146 V N 0.560 120.288 119.914 -0.310 0.000 2.506 146 V HA 0.329 4.430 4.120 -0.031 0.000 0.296 146 V C -0.081 175.927 176.094 -0.144 0.000 1.004 146 V CA 0.691 62.883 62.300 -0.181 0.000 1.150 146 V CB -0.937 30.793 31.823 -0.156 0.000 0.911 146 V HN 0.431 nan 8.190 nan 0.000 0.476 147 L N 6.692 127.856 121.223 -0.098 0.000 2.424 147 L HA 0.572 4.893 4.340 -0.031 0.000 0.258 147 L C -2.410 174.431 176.870 -0.048 0.000 0.995 147 L CA -2.007 52.791 54.840 -0.070 0.000 0.821 147 L CB 2.481 44.503 42.059 -0.061 0.000 1.383 147 L HN 0.395 nan 8.230 nan 0.000 0.410 148 P HA 0.017 nan 4.420 nan 0.000 0.269 148 P C 0.482 177.767 177.300 -0.025 0.000 1.217 148 P CA -0.429 62.655 63.100 -0.028 0.000 0.783 148 P CB 0.622 32.307 31.700 -0.024 0.000 0.898 149 L N 2.456 123.668 121.223 -0.019 0.000 1.951 149 L HA -0.278 4.044 4.340 -0.031 0.000 0.222 149 L C 1.422 178.278 176.870 -0.023 0.000 1.078 149 L CA 2.264 57.094 54.840 -0.017 0.000 0.778 149 L CB -1.471 40.583 42.059 -0.010 0.000 0.893 149 L HN 0.353 nan 8.230 nan 0.000 0.436 150 D N -1.087 119.300 120.400 -0.021 0.000 2.092 150 D HA -0.192 4.429 4.640 -0.031 0.000 0.193 150 D C 2.252 178.535 176.300 -0.030 0.000 0.994 150 D CA 1.793 55.779 54.000 -0.024 0.000 0.828 150 D CB -0.373 40.415 40.800 -0.019 0.000 0.963 150 D HN 0.246 nan 8.370 nan 0.000 0.450 151 V N 1.090 120.988 119.914 -0.027 0.000 2.282 151 V HA -0.321 3.780 4.120 -0.031 0.000 0.249 151 V C 2.406 178.480 176.094 -0.033 0.000 1.057 151 V CA 2.029 64.313 62.300 -0.027 0.000 1.032 151 V CB -0.959 30.851 31.823 -0.023 0.000 0.645 151 V HN 0.272 nan 8.190 nan 0.000 0.447 152 A N -0.210 122.588 122.820 -0.037 0.000 1.858 152 A HA -0.166 4.135 4.320 -0.031 0.000 0.216 152 A C 2.399 179.938 177.584 -0.076 0.000 1.190 152 A CA 2.160 54.169 52.037 -0.047 0.000 0.617 152 A CB -0.805 18.169 19.000 -0.043 0.000 0.827 152 A HN 0.338 nan 8.150 nan 0.000 0.443 153 V N 0.096 119.968 119.914 -0.069 0.000 2.282 153 V HA -0.325 3.776 4.120 -0.031 0.000 0.249 153 V C 3.063 179.096 176.094 -0.102 0.000 1.057 153 V CA 2.210 64.459 62.300 -0.085 0.000 1.032 153 V CB -1.491 30.299 31.823 -0.055 0.000 0.645 153 V HN 0.644 nan 8.190 nan 0.000 0.447 154 A N -0.458 122.318 122.820 -0.074 0.000 1.865 154 A HA -0.322 3.979 4.320 -0.031 0.000 0.217 154 A C 2.304 179.833 177.584 -0.092 0.000 1.191 154 A CA 2.221 54.215 52.037 -0.071 0.000 0.623 154 A CB -0.664 18.307 19.000 -0.049 0.000 0.826 154 A HN 0.633 nan 8.150 nan 0.000 0.444 155 E N -0.400 119.750 120.200 -0.083 0.000 2.118 155 E HA -0.195 4.136 4.350 -0.031 0.000 0.195 155 E C 1.885 178.379 176.600 -0.177 0.000 0.992 155 E CA 1.353 57.704 56.400 -0.083 0.000 0.804 155 E CB -0.221 29.480 29.700 0.002 0.000 0.741 155 E HN 0.696 nan 8.360 nan 0.000 0.458 156 I N 1.083 121.483 120.570 -0.284 0.000 2.163 156 I HA -0.244 3.908 4.170 -0.031 0.000 0.240 156 I C 2.326 178.228 176.117 -0.358 0.000 1.081 156 I CA 0.973 61.905 61.300 -0.613 0.000 1.353 156 I CB -0.311 37.234 38.000 -0.757 0.000 1.054 156 I HN 0.112 nan 8.210 nan 0.000 0.407 157 E N 0.616 120.691 120.200 -0.208 0.000 2.130 157 E HA -0.310 4.022 4.350 -0.031 0.000 0.196 157 E C 1.874 178.424 176.600 -0.083 0.000 0.998 157 E CA 1.510 57.845 56.400 -0.108 0.000 0.806 157 E CB -0.321 29.331 29.700 -0.081 0.000 0.738 157 E HN 0.615 nan 8.360 nan 0.000 0.459 158 E N 0.644 120.781 120.200 -0.105 0.000 2.016 158 E HA -0.145 4.186 4.350 -0.031 0.000 0.190 158 E C 2.101 178.646 176.600 -0.092 0.000 0.985 158 E CA 0.387 56.728 56.400 -0.100 0.000 0.802 158 E CB 0.144 29.780 29.700 -0.108 0.000 0.762 158 E HN -0.037 nan 8.360 nan 0.000 0.448 159 R N 0.659 121.100 120.500 -0.097 0.000 2.119 159 R HA -0.189 4.133 4.340 -0.031 0.000 0.246 159 R C 2.425 178.795 176.300 0.117 0.000 1.146 159 R CA 1.315 57.408 56.100 -0.013 0.000 0.962 159 R CB -1.007 29.279 30.300 -0.024 0.000 0.863 159 R HN 0.434 nan 8.270 nan 0.000 0.442 160 I N 0.901 121.570 120.570 0.164 0.000 2.099 160 I HA -0.280 3.872 4.170 -0.031 0.000 0.239 160 I C 2.435 178.580 176.117 0.048 0.000 1.066 160 I CA 1.446 62.844 61.300 0.164 0.000 1.324 160 I CB -0.353 37.736 38.000 0.148 0.000 1.037 160 I HN 0.111 nan 8.210 nan 0.000 0.401 161 E N 0.485 120.677 120.200 -0.013 0.000 2.051 161 E HA -0.262 4.070 4.350 -0.031 0.000 0.192 161 E C 2.023 178.543 176.600 -0.134 0.000 0.991 161 E CA 1.384 57.748 56.400 -0.060 0.000 0.799 161 E CB -0.226 29.432 29.700 -0.070 0.000 0.748 161 E HN 0.528 nan 8.360 nan 0.000 0.449 162 E N -1.240 118.821 120.200 -0.232 0.000 2.112 162 E HA -0.098 4.233 4.350 -0.031 0.000 0.190 162 E C 1.093 177.260 176.600 -0.722 0.000 0.979 162 E CA 0.764 56.851 56.400 -0.520 0.000 0.814 162 E CB 0.128 29.400 29.700 -0.713 0.000 0.762 162 E HN 0.125 nan 8.360 nan 0.000 0.460 163 F N -1.517 118.398 119.950 -0.059 0.000 2.778 163 F HA 0.368 4.881 4.527 -0.023 0.000 0.314 163 F C 1.200 177.001 175.800 0.002 0.000 1.073 163 F CA 0.387 58.369 58.000 -0.030 0.000 1.218 163 F CB 1.361 40.308 39.000 -0.088 0.000 1.037 163 F HN 0.091 nan 8.300 nan 0.000 0.594 164 G N 1.532 110.420 108.800 0.146 0.000 2.171 164 G HA2 -0.293 3.648 3.960 -0.031 0.000 0.238 164 G HA3 -0.293 3.648 3.960 -0.031 0.000 0.238 164 G C -0.498 174.443 174.900 0.068 0.000 1.039 164 G CA -0.293 44.865 45.100 0.097 0.000 0.759 164 G HN 0.349 nan 8.290 nan 0.000 0.501 165 N N 0.024 118.753 118.700 0.048 0.000 2.475 165 N HA 0.414 5.135 4.740 -0.031 0.000 0.267 165 N C 1.495 176.845 175.510 -0.268 0.000 1.169 165 N CA -0.189 52.770 53.050 -0.153 0.000 0.947 165 N CB 0.547 38.835 38.487 -0.332 0.000 1.061 165 N HN 0.372 nan 8.380 nan 0.000 0.466 166 R N 0.335 120.706 120.500 -0.215 0.000 2.300 166 R HA 0.090 4.411 4.340 -0.031 0.000 0.199 166 R C -0.147 176.018 176.300 -0.225 0.000 0.920 166 R CA 0.283 56.295 56.100 -0.146 0.000 1.046 166 R CB -0.067 30.193 30.300 -0.068 0.000 0.984 166 R HN 0.611 nan 8.270 nan 0.000 0.493 167 S N -0.115 115.322 115.700 -0.438 0.000 2.549 167 S HA 0.668 5.119 4.470 -0.031 0.000 0.280 167 S C -0.882 173.339 174.600 -0.631 0.000 1.109 167 S CA -0.890 57.096 58.200 -0.357 0.000 0.905 167 S CB 1.520 64.609 63.200 -0.185 0.000 1.081 167 S HN 0.007 nan 8.310 nan 0.000 0.477 168 F N 0.943 120.947 119.950 0.090 0.000 2.556 168 F HA 0.600 5.109 4.527 -0.030 0.000 0.314 168 F C 0.012 175.851 175.800 0.065 0.000 1.106 168 F CA -0.726 57.338 58.000 0.106 0.000 0.911 168 F CB 2.337 41.409 39.000 0.119 0.000 1.190 168 F HN 0.710 nan 8.300 nan 0.000 0.448 169 K N 4.583 125.112 120.400 0.214 0.000 2.307 169 K HA 0.622 4.923 4.320 -0.031 0.000 0.263 169 K C -1.679 174.971 176.600 0.083 0.000 0.973 169 K CA -0.396 55.967 56.287 0.126 0.000 0.846 169 K CB 0.843 33.407 32.500 0.108 0.000 1.100 169 K HN 0.757 nan 8.250 nan 0.000 0.438 170 L N 5.364 126.629 121.223 0.071 0.000 2.265 170 L HA 0.348 4.669 4.340 -0.031 0.000 0.289 170 L C 0.330 177.194 176.870 -0.010 0.000 1.033 170 L CA -0.685 54.167 54.840 0.020 0.000 0.814 170 L CB 1.221 43.298 42.059 0.029 0.000 1.203 170 L HN 0.618 nan 8.230 nan 0.000 0.423 174 A N 0.730 123.578 122.820 0.046 0.000 2.260 174 A HA 0.854 5.155 4.320 -0.031 0.000 0.314 174 A C 1.109 178.714 177.584 0.035 0.000 1.257 174 A CA 0.627 52.676 52.037 0.020 0.000 0.871 174 A CB 0.385 19.369 19.000 -0.026 0.000 1.166 174 A HN 2.047 nan 8.150 nan 0.000 0.522 175 G N 2.148 110.964 108.800 0.027 0.000 2.697 175 G HA2 -0.129 3.812 3.960 -0.031 0.000 0.240 175 G HA3 -0.129 3.812 3.960 -0.031 0.000 0.240 175 G C -0.128 174.775 174.900 0.005 0.000 1.346 175 G CA 0.171 45.276 45.100 0.008 0.000 0.887 175 G HN 1.314 nan 8.290 nan 0.000 0.569 176 D N 0.832 121.211 120.400 -0.035 0.000 2.662 176 D HA 0.241 4.863 4.640 -0.031 0.000 0.233 176 D C -0.433 175.792 176.300 -0.126 0.000 1.129 176 D CA 0.026 53.973 54.000 -0.089 0.000 0.851 176 D CB 0.767 41.514 40.800 -0.090 0.000 1.152 176 D HN 0.127 nan 8.370 nan 0.000 0.507 177 P HA -0.150 nan 4.420 nan 0.000 0.217 177 P C 0.931 177.862 177.300 -0.614 0.000 1.150 177 P CA 1.511 64.364 63.100 -0.412 0.000 0.832 177 P CB 0.093 31.210 31.700 -0.971 0.000 0.787 178 A N 0.184 122.538 122.820 -0.778 0.000 1.908 178 A HA -0.259 4.042 4.320 -0.031 0.000 0.218 178 A C 2.095 179.532 177.584 -0.245 0.000 1.181 178 A CA 1.860 53.504 52.037 -0.655 0.000 0.627 178 A CB -1.249 17.567 19.000 -0.307 0.000 0.818 178 A HN 0.217 nan 8.150 nan 0.000 0.445 179 E N -0.813 119.296 120.200 -0.152 0.000 2.152 179 E HA -0.146 4.186 4.350 -0.031 0.000 0.192 179 E C 1.499 178.082 176.600 -0.028 0.000 0.983 179 E CA 0.723 57.085 56.400 -0.062 0.000 0.818 179 E CB -0.124 29.548 29.700 -0.046 0.000 0.758 179 E HN 0.534 nan 8.360 nan 0.000 0.467 180 D N 0.318 120.708 120.400 -0.016 0.000 2.144 180 D HA -0.099 4.522 4.640 -0.031 0.000 0.200 180 D C 1.789 178.136 176.300 0.079 0.000 0.978 180 D CA 1.132 55.167 54.000 0.057 0.000 0.833 180 D CB 0.058 40.958 40.800 0.167 0.000 0.961 180 D HN 0.036 nan 8.370 nan 0.000 0.470 181 T N -0.081 114.519 114.554 0.078 0.000 2.821 181 T HA -0.091 4.240 4.350 -0.031 0.000 0.267 181 T C 2.048 176.800 174.700 0.087 0.000 1.046 181 T CA 0.815 62.990 62.100 0.125 0.000 1.139 181 T CB 0.082 69.035 68.868 0.141 0.000 0.871 181 T HN 0.032 nan 8.240 nan 0.000 0.454 182 R N 0.953 121.482 120.500 0.047 0.000 2.070 182 R HA 0.027 4.348 4.340 -0.031 0.000 0.233 182 R C 2.574 178.897 176.300 0.039 0.000 1.137 182 R CA 1.427 57.554 56.100 0.044 0.000 0.945 182 R CB -0.272 30.043 30.300 0.024 0.000 0.845 182 R HN 0.252 nan 8.270 nan 0.000 0.430 183 R N -0.160 120.356 120.500 0.027 0.000 2.122 183 R HA -0.197 4.124 4.340 -0.031 0.000 0.236 183 R C 1.922 178.239 176.300 0.027 0.000 1.129 183 R CA 2.440 58.552 56.100 0.019 0.000 0.925 183 R CB -0.626 29.680 30.300 0.010 0.000 0.850 183 R HN 0.155 nan 8.270 nan 0.000 0.431 184 V N 0.943 120.881 119.914 0.040 0.000 2.407 184 V HA -0.206 3.895 4.120 -0.031 0.000 0.248 184 V C 2.509 178.642 176.094 0.064 0.000 1.055 184 V CA 1.800 64.129 62.300 0.049 0.000 1.049 184 V CB -0.780 31.078 31.823 0.058 0.000 0.662 184 V HN 0.609 nan 8.190 nan 0.000 0.455 185 A N -0.116 122.749 122.820 0.075 0.000 1.858 185 A HA -0.255 4.047 4.320 -0.031 0.000 0.216 185 A C 2.192 179.811 177.584 0.059 0.000 1.190 185 A CA 1.969 54.054 52.037 0.080 0.000 0.617 185 A CB -0.524 18.529 19.000 0.088 0.000 0.827 185 A HN 0.588 nan 8.150 nan 0.000 0.443 186 E N -0.532 119.696 120.200 0.045 0.000 2.085 186 E HA -0.182 4.149 4.350 -0.031 0.000 0.194 186 E C 2.008 178.624 176.600 0.027 0.000 0.994 186 E CA 1.205 57.624 56.400 0.033 0.000 0.801 186 E CB -0.277 29.437 29.700 0.024 0.000 0.743 186 E HN 0.627 nan 8.360 nan 0.000 0.453 187 L N 0.372 121.609 121.223 0.024 0.000 2.131 187 L HA -0.155 4.167 4.340 -0.031 0.000 0.210 187 L C 2.273 179.158 176.870 0.026 0.000 1.092 187 L CA 1.106 55.955 54.840 0.015 0.000 0.759 187 L CB -0.166 41.898 42.059 0.008 0.000 0.903 187 L HN 0.107 nan 8.230 nan 0.000 0.435 188 A N 0.294 123.140 122.820 0.045 0.000 1.873 188 A HA -0.202 4.100 4.320 -0.031 0.000 0.215 188 A C 2.267 179.881 177.584 0.049 0.000 1.186 188 A CA 1.536 53.608 52.037 0.058 0.000 0.616 188 A CB -0.482 18.562 19.000 0.075 0.000 0.823 188 A HN 0.483 nan 8.150 nan 0.000 0.442 189 R N -0.324 120.202 120.500 0.043 0.000 2.189 189 R HA -0.072 4.250 4.340 -0.031 0.000 0.223 189 R C 1.869 178.186 176.300 0.028 0.000 1.092 189 R CA 1.312 57.434 56.100 0.036 0.000 0.989 189 R CB -0.188 30.133 30.300 0.034 0.000 0.876 189 R HN 0.676 nan 8.270 nan 0.000 0.457 190 E N -0.081 120.133 120.200 0.022 0.000 2.086 190 E HA -0.067 4.264 4.350 -0.031 0.000 0.190 190 E C 1.581 178.188 176.600 0.013 0.000 0.975 190 E CA 1.063 57.471 56.400 0.012 0.000 0.813 190 E CB 0.419 30.120 29.700 0.001 0.000 0.768 190 E HN 0.090 nan 8.360 nan 0.000 0.457 191 V N -0.490 119.435 119.914 0.019 0.000 3.455 191 V HA 0.109 4.210 4.120 -0.031 0.000 0.250 191 V C 2.089 178.222 176.094 0.065 0.000 1.230 191 V CA 0.817 63.134 62.300 0.029 0.000 1.105 191 V CB 0.388 32.210 31.823 -0.002 0.000 0.850 191 V HN 0.304 nan 8.190 nan 0.000 0.461 192 G N 0.518 109.357 108.800 0.065 0.000 2.532 192 G HA2 -0.284 3.657 3.960 -0.031 0.000 0.222 192 G HA3 -0.284 3.657 3.960 -0.031 0.000 0.222 192 G C 1.113 176.053 174.900 0.067 0.000 1.102 192 G CA 1.354 46.499 45.100 0.075 0.000 0.742 192 G HN 0.499 nan 8.290 nan 0.000 0.577 193 D N 0.471 120.904 120.400 0.056 0.000 2.117 193 D HA -0.050 4.571 4.640 -0.031 0.000 0.198 193 D C 2.563 178.896 176.300 0.054 0.000 0.982 193 D CA 0.814 54.842 54.000 0.048 0.000 0.828 193 D CB -0.073 40.749 40.800 0.038 0.000 0.967 193 D HN 0.363 nan 8.370 nan 0.000 0.464 194 R N 0.221 120.762 120.500 0.067 0.000 2.290 194 R HA 0.129 4.450 4.340 -0.031 0.000 0.197 194 R C 0.563 176.924 176.300 0.101 0.000 0.913 194 R CA 0.056 56.201 56.100 0.075 0.000 1.040 194 R CB 1.036 31.380 30.300 0.073 0.000 0.992 194 R HN 0.091 nan 8.270 nan 0.000 0.500 195 V N -3.253 116.738 119.914 0.129 0.000 3.007 195 V HA 0.465 4.566 4.120 -0.031 0.000 0.311 195 V C -0.443 175.727 176.094 0.126 0.000 1.120 195 V CA -1.186 61.207 62.300 0.156 0.000 0.980 195 V CB 2.120 34.150 31.823 0.344 0.000 1.033 195 V HN -0.059 nan 8.190 nan 0.000 0.429 196 S N 3.090 118.839 115.700 0.082 0.000 2.474 196 S HA 0.591 5.043 4.470 -0.031 0.000 0.276 196 S C -0.448 174.213 174.600 0.102 0.000 1.227 196 S CA -0.473 57.768 58.200 0.068 0.000 1.050 196 S CB -0.595 62.623 63.200 0.030 0.000 0.939 196 S HN 0.670 nan 8.310 nan 0.000 0.490 197 L N 5.601 126.888 121.223 0.108 0.000 2.287 197 L HA 0.595 4.916 4.340 -0.031 0.000 0.287 197 L C 0.021 176.950 176.870 0.099 0.000 1.022 197 L CA -0.810 54.108 54.840 0.130 0.000 0.814 197 L CB 1.300 43.435 42.059 0.128 0.000 1.217 197 L HN 0.581 nan 8.230 nan 0.000 0.420 198 R N 2.849 123.414 120.500 0.109 0.000 2.873 198 R HA 0.802 5.123 4.340 -0.031 0.000 0.264 198 R C -0.798 175.571 176.300 0.115 0.000 1.026 198 R CA -0.645 55.513 56.100 0.098 0.000 1.002 198 R CB 1.755 32.104 30.300 0.082 0.000 1.174 198 R HN 0.549 nan 8.270 nan 0.000 0.488 199 I N -3.107 117.542 120.570 0.133 0.000 3.174 199 I HA 0.744 4.895 4.170 -0.031 0.000 0.313 199 I C -1.358 174.806 176.117 0.079 0.000 1.155 199 I CA -0.736 60.623 61.300 0.098 0.000 0.977 199 I CB 2.711 40.771 38.000 0.099 0.000 1.248 199 I HN 0.373 nan 8.210 nan 0.000 0.453 200 D N 2.004 122.414 120.400 0.017 0.000 2.688 200 D HA 0.394 5.016 4.640 -0.031 0.000 0.210 200 D C -0.587 175.682 176.300 -0.051 0.000 1.333 200 D CA -0.316 53.700 54.000 0.025 0.000 0.920 200 D CB 1.433 42.297 40.800 0.107 0.000 1.554 200 D HN 0.687 nan 8.370 nan 0.000 0.579 201 I N 1.834 122.323 120.570 -0.135 0.000 3.928 201 I HA 0.114 4.266 4.170 -0.031 0.000 0.335 201 I C 0.652 176.731 176.117 -0.065 0.000 1.325 201 I CA -0.373 60.786 61.300 -0.235 0.000 1.107 201 I CB -0.290 37.358 38.000 -0.587 0.000 1.014 201 I HN 0.367 nan 8.210 nan 0.000 0.400 202 N N 2.260 120.984 118.700 0.041 0.000 2.710 202 N HA -0.268 4.453 4.740 -0.031 0.000 0.249 202 N C 0.821 176.332 175.510 0.001 0.000 1.059 202 N CA 0.916 54.016 53.050 0.083 0.000 0.720 202 N CB -0.583 38.071 38.487 0.277 0.000 0.983 202 N HN 0.659 nan 8.380 nan 0.000 0.544 203 A N -1.251 121.559 122.820 -0.017 0.000 2.832 203 A HA -0.271 4.030 4.320 -0.031 0.000 0.280 203 A C 1.227 178.836 177.584 0.043 0.000 1.464 203 A CA 1.546 53.581 52.037 -0.003 0.000 0.804 203 A CB -0.729 18.241 19.000 -0.050 0.000 1.020 203 A HN 0.413 nan 8.150 nan 0.000 0.563 204 R N -2.004 118.534 120.500 0.064 0.000 2.393 204 R HA 0.160 4.481 4.340 -0.031 0.000 0.244 204 R C -0.435 176.039 176.300 0.290 0.000 0.920 204 R CA -0.006 56.173 56.100 0.133 0.000 1.076 204 R CB -0.011 30.355 30.300 0.111 0.000 1.119 204 R HN 0.623 nan 8.270 nan 0.000 0.524 205 W N 2.238 123.545 121.300 0.012 0.000 2.551 205 W HA 0.198 4.841 4.660 -0.028 0.000 0.330 205 W C 0.176 176.702 176.519 0.013 0.000 1.063 205 W CA -1.863 55.490 57.345 0.013 0.000 1.222 205 W CB 0.886 30.354 29.460 0.014 0.000 1.349 205 W HN 0.037 nan 8.180 nan 0.000 0.536 206 D N 0.825 121.334 120.400 0.181 0.000 2.383 206 D HA 0.133 4.755 4.640 -0.031 0.000 0.248 206 D C 1.381 177.742 176.300 0.102 0.000 1.170 206 D CA -0.468 53.593 54.000 0.102 0.000 0.977 206 D CB 0.641 41.464 40.800 0.039 0.000 1.120 206 D HN 0.432 nan 8.370 nan 0.000 0.481 207 R N 0.032 120.574 120.500 0.070 0.000 2.096 207 R HA -0.238 4.083 4.340 -0.031 0.000 0.240 207 R C 2.164 178.491 176.300 0.045 0.000 1.139 207 R CA 1.549 57.687 56.100 0.062 0.000 0.952 207 R CB -0.137 30.187 30.300 0.040 0.000 0.854 207 R HN 0.568 nan 8.270 nan 0.000 0.436 208 R N -0.395 120.113 120.500 0.013 0.000 2.073 208 R HA -0.103 4.218 4.340 -0.031 0.000 0.234 208 R C 1.936 178.214 176.300 -0.038 0.000 1.134 208 R CA 2.133 58.224 56.100 -0.016 0.000 0.952 208 R CB -0.370 29.906 30.300 -0.040 0.000 0.850 208 R HN 0.295 nan 8.270 nan 0.000 0.433 209 T N 0.800 115.314 114.554 -0.067 0.000 2.708 209 T HA -0.134 4.197 4.350 -0.031 0.000 0.266 209 T C 1.826 176.491 174.700 -0.059 0.000 1.037 209 T CA 1.481 63.492 62.100 -0.150 0.000 1.146 209 T CB -0.330 68.329 68.868 -0.349 0.000 0.865 209 T HN 0.458 nan 8.240 nan 0.000 0.435 210 A N 1.312 124.215 122.820 0.137 0.000 1.877 210 A HA -0.008 4.293 4.320 -0.031 0.000 0.216 210 A C 2.312 179.985 177.584 0.148 0.000 1.186 210 A CA 1.298 53.541 52.037 0.344 0.000 0.620 210 A CB -0.956 18.232 19.000 0.314 0.000 0.822 210 A HN 0.481 nan 8.150 nan 0.000 0.443 211 L N -1.306 119.961 121.223 0.073 0.000 2.191 211 L HA -0.207 4.114 4.340 -0.031 0.000 0.212 211 L C 2.711 179.569 176.870 -0.020 0.000 1.103 211 L CA 1.517 56.374 54.840 0.028 0.000 0.769 211 L CB -0.577 41.495 42.059 0.020 0.000 0.908 211 L HN 0.621 nan 8.230 nan 0.000 0.438 212 H N -0.815 118.145 119.070 -0.182 0.000 2.355 212 H HA -0.112 4.425 4.556 -0.031 0.000 0.303 212 H C 1.919 176.985 175.328 -0.437 0.000 1.061 212 H CA 1.743 57.565 56.048 -0.377 0.000 1.368 212 H CB 0.259 29.648 29.762 -0.622 0.000 1.412 212 H HN 0.253 nan 8.280 nan 0.000 0.523 213 Y N 0.369 120.722 120.300 0.088 0.000 2.436 213 Y HA 0.057 4.588 4.550 -0.031 0.000 0.288 213 Y C 2.812 178.778 175.900 0.110 0.000 1.112 213 Y CA 0.067 58.220 58.100 0.089 0.000 1.220 213 Y CB -0.225 38.249 38.460 0.024 0.000 1.073 213 Y HN 0.036 nan 8.280 nan 0.000 0.552 214 L N 0.297 121.652 121.223 0.220 0.000 2.081 214 L HA -0.192 4.129 4.340 -0.031 0.000 0.212 214 L C -0.604 176.321 176.870 0.091 0.000 1.080 214 L CA 1.336 56.157 54.840 -0.031 0.000 0.754 214 L CB -1.679 40.123 42.059 -0.428 0.000 0.893 214 L HN 0.181 nan 8.230 nan 0.000 0.433 215 P HA -0.187 nan 4.420 nan 0.000 0.218 215 P C 1.778 179.152 177.300 0.124 0.000 1.148 215 P CA 1.460 64.625 63.100 0.109 0.000 0.822 215 P CB 0.036 31.743 31.700 0.011 0.000 0.784 216 I N -1.531 119.109 120.570 0.117 0.000 2.226 216 I HA -0.213 3.938 4.170 -0.031 0.000 0.245 216 I C 2.181 178.396 176.117 0.163 0.000 1.100 216 I CA 1.320 62.697 61.300 0.128 0.000 1.374 216 I CB -0.611 37.485 38.000 0.160 0.000 1.057 216 I HN -0.079 nan 8.210 nan 0.000 0.413 217 L N 0.376 121.728 121.223 0.215 0.000 2.217 217 L HA -0.133 4.189 4.340 -0.031 0.000 0.211 217 L C 2.826 179.871 176.870 0.291 0.000 1.107 217 L CA 0.907 55.901 54.840 0.257 0.000 0.783 217 L CB -0.661 41.583 42.059 0.307 0.000 0.919 217 L HN 0.237 nan 8.230 nan 0.000 0.442 218 A N 0.162 123.186 122.820 0.340 0.000 1.841 218 A HA -0.259 4.042 4.320 -0.031 0.000 0.214 218 A C 2.243 179.902 177.584 0.126 0.000 1.195 218 A CA 1.724 53.903 52.037 0.238 0.000 0.611 218 A CB -0.630 18.518 19.000 0.248 0.000 0.835 218 A HN 0.413 nan 8.150 nan 0.000 0.443 219 E N -0.132 120.137 120.200 0.115 0.000 2.219 219 E HA -0.183 4.148 4.350 -0.031 0.000 0.198 219 E C 1.895 178.539 176.600 0.074 0.000 0.998 219 E CA 1.023 57.469 56.400 0.077 0.000 0.818 219 E CB -0.215 29.525 29.700 0.067 0.000 0.741 219 E HN 0.545 nan 8.360 nan 0.000 0.477 220 A N -0.310 122.567 122.820 0.094 0.000 2.119 220 A HA 0.128 4.429 4.320 -0.031 0.000 0.217 220 A C 1.821 179.450 177.584 0.075 0.000 1.153 220 A CA 1.287 53.374 52.037 0.085 0.000 0.692 220 A CB -0.165 18.896 19.000 0.101 0.000 0.799 220 A HN 0.500 nan 8.150 nan 0.000 0.458 221 G N -2.347 106.497 108.800 0.073 0.000 2.205 221 G HA2 -0.149 3.793 3.960 -0.031 0.000 0.180 221 G HA3 -0.149 3.793 3.960 -0.031 0.000 0.180 221 G C 0.138 175.068 174.900 0.049 0.000 1.004 221 G CA -0.096 45.036 45.100 0.054 0.000 0.670 221 G HN 0.674 nan 8.290 nan 0.000 0.496 222 V N 1.719 121.677 119.914 0.074 0.000 2.540 222 V HA 0.184 4.285 4.120 -0.031 0.000 0.297 222 V C 1.395 177.438 176.094 -0.084 0.000 1.024 222 V CA 1.199 63.534 62.300 0.058 0.000 1.105 222 V CB 1.151 33.089 31.823 0.191 0.000 0.938 222 V HN 0.512 nan 8.190 nan 0.000 0.482 223 E N 3.809 123.958 120.200 -0.085 0.000 2.447 223 E HA 0.190 4.521 4.350 -0.031 0.000 0.195 223 E C -0.111 176.343 176.600 -0.242 0.000 1.028 223 E CA 0.060 56.374 56.400 -0.144 0.000 0.876 223 E CB 0.688 30.366 29.700 -0.037 0.000 0.885 223 E HN 0.466 nan 8.360 nan 0.000 0.500 224 L N 0.250 121.334 121.223 -0.231 0.000 2.470 224 L HA 0.342 4.663 4.340 -0.031 0.000 0.268 224 L C -1.757 175.072 176.870 -0.069 0.000 0.964 224 L CA -0.623 54.097 54.840 -0.200 0.000 0.839 224 L CB 1.315 43.361 42.059 -0.023 0.000 1.276 224 L HN -0.231 nan 8.230 nan 0.000 0.403 225 F N 3.378 123.338 119.950 0.016 0.000 2.293 225 F HA 0.419 4.926 4.527 -0.032 0.000 0.370 225 F C 0.564 176.370 175.800 0.009 0.000 1.090 225 F CA -0.756 57.250 58.000 0.009 0.000 1.133 225 F CB 0.723 39.735 39.000 0.019 0.000 1.360 225 F HN 0.490 nan 8.300 nan 0.000 0.489 226 E N 2.251 122.564 120.200 0.189 0.000 2.259 226 E HA 0.072 4.403 4.350 -0.031 0.000 0.281 226 E C 0.135 176.794 176.600 0.098 0.000 1.037 226 E CA -0.550 55.927 56.400 0.128 0.000 0.854 226 E CB 0.580 30.351 29.700 0.117 0.000 1.051 226 E HN 0.498 nan 8.360 nan 0.000 0.409 227 Q N 4.306 124.164 119.800 0.096 0.000 2.368 227 Q HA -0.175 4.146 4.340 -0.031 0.000 0.371 227 Q C -1.891 174.120 176.000 0.020 0.000 1.284 227 Q CA 0.598 56.441 55.803 0.067 0.000 1.193 227 Q CB 0.047 28.827 28.738 0.070 0.000 1.376 227 Q HN 0.464 nan 8.270 nan 0.000 0.320 228 P HA -0.044 nan 4.420 nan 0.000 0.227 228 P C -0.008 177.302 177.300 0.016 0.000 1.161 228 P CA 1.053 64.107 63.100 -0.076 0.000 0.788 228 P CB 0.407 32.040 31.700 -0.111 0.000 0.822 229 T N -4.389 110.197 114.554 0.053 0.000 2.888 229 T HA 0.551 4.882 4.350 -0.031 0.000 0.288 229 T C -3.095 171.633 174.700 0.047 0.000 1.063 229 T CA -2.882 59.266 62.100 0.080 0.000 1.010 229 T CB 0.649 69.571 68.868 0.091 0.000 1.214 229 T HN -0.300 nan 8.240 nan 0.000 0.533 230 P HA 0.152 nan 4.420 nan 0.000 0.263 230 P C 0.716 178.021 177.300 0.008 0.000 1.175 230 P CA 0.175 63.284 63.100 0.016 0.000 0.761 230 P CB 0.144 31.855 31.700 0.019 0.000 0.794 231 A N 4.082 126.894 122.820 -0.013 0.000 1.948 231 A HA -0.258 4.043 4.320 -0.031 0.000 0.220 231 A C 1.700 179.283 177.584 -0.001 0.000 1.177 231 A CA 2.388 54.423 52.037 -0.003 0.000 0.636 231 A CB -1.331 17.657 19.000 -0.020 0.000 0.815 231 A HN 0.693 nan 8.150 nan 0.000 0.449 232 D N -0.833 119.558 120.400 -0.015 0.000 2.234 232 D HA -0.077 4.544 4.640 -0.031 0.000 0.205 232 D C 0.632 176.932 176.300 -0.000 0.000 0.962 232 D CA 0.800 54.790 54.000 -0.016 0.000 0.855 232 D CB -0.295 40.489 40.800 -0.026 0.000 0.951 232 D HN 0.237 nan 8.370 nan 0.000 0.500 233 D N 0.327 120.733 120.400 0.010 0.000 2.608 233 D HA 0.058 4.679 4.640 -0.031 0.000 0.224 233 D C 1.185 177.501 176.300 0.026 0.000 1.123 233 D CA -0.105 53.906 54.000 0.018 0.000 1.030 233 D CB 0.019 40.833 40.800 0.024 0.000 1.093 233 D HN 0.240 nan 8.370 nan 0.000 0.497 234 L N 1.076 122.313 121.223 0.023 0.000 2.083 234 L HA -0.116 4.206 4.340 -0.031 0.000 0.209 234 L C 2.094 178.983 176.870 0.031 0.000 1.083 234 L CA 0.862 55.720 54.840 0.030 0.000 0.752 234 L CB -0.181 41.893 42.059 0.025 0.000 0.899 234 L HN 0.284 nan 8.230 nan 0.000 0.433 235 E N -0.325 119.891 120.200 0.026 0.000 2.153 235 E HA -0.183 4.148 4.350 -0.031 0.000 0.194 235 E C 2.095 178.714 176.600 0.033 0.000 0.988 235 E CA 1.631 58.047 56.400 0.026 0.000 0.811 235 E CB -0.034 29.677 29.700 0.019 0.000 0.746 235 E HN 0.400 nan 8.360 nan 0.000 0.466 236 T N 1.127 115.703 114.554 0.036 0.000 2.821 236 T HA -0.062 4.269 4.350 -0.031 0.000 0.267 236 T C 1.859 176.594 174.700 0.057 0.000 1.046 236 T CA 0.571 62.698 62.100 0.045 0.000 1.139 236 T CB -0.061 68.835 68.868 0.047 0.000 0.871 236 T HN 0.093 nan 8.240 nan 0.000 0.454 237 L N 0.743 122.002 121.223 0.059 0.000 2.012 237 L HA -0.133 4.188 4.340 -0.031 0.000 0.210 237 L C 2.839 179.752 176.870 0.072 0.000 1.073 237 L CA 1.343 56.226 54.840 0.072 0.000 0.748 237 L CB -0.505 41.594 42.059 0.067 0.000 0.891 237 L HN 0.142 nan 8.230 nan 0.000 0.431 238 R N 0.862 121.395 120.500 0.054 0.000 2.073 238 R HA -0.228 4.093 4.340 -0.031 0.000 0.234 238 R C 2.084 178.415 176.300 0.052 0.000 1.134 238 R CA 1.871 58.000 56.100 0.047 0.000 0.952 238 R CB -0.510 29.811 30.300 0.035 0.000 0.850 238 R HN 0.256 nan 8.270 nan 0.000 0.433 239 E N 0.522 120.752 120.200 0.050 0.000 2.110 239 E HA -0.139 4.192 4.350 -0.031 0.000 0.193 239 E C 1.940 178.578 176.600 0.064 0.000 0.988 239 E CA 1.774 58.203 56.400 0.048 0.000 0.804 239 E CB -0.427 29.297 29.700 0.040 0.000 0.745 239 E HN 0.611 nan 8.360 nan 0.000 0.458 240 I N -1.779 118.841 120.570 0.083 0.000 2.286 240 I HA -0.190 3.961 4.170 -0.031 0.000 0.248 240 I C 1.926 178.131 176.117 0.147 0.000 1.115 240 I CA 1.792 63.160 61.300 0.113 0.000 1.392 240 I CB -0.697 37.380 38.000 0.128 0.000 1.065 240 I HN -0.081 nan 8.210 nan 0.000 0.418 241 T N 0.785 115.417 114.554 0.131 0.000 2.821 241 T HA -0.071 4.260 4.350 -0.031 0.000 0.267 241 T C 2.028 176.772 174.700 0.073 0.000 1.046 241 T CA 1.331 63.495 62.100 0.108 0.000 1.139 241 T CB -0.279 68.632 68.868 0.072 0.000 0.871 241 T HN 0.391 nan 8.240 nan 0.000 0.454 242 R N 0.617 121.153 120.500 0.059 0.000 2.096 242 R HA 0.044 4.366 4.340 -0.031 0.000 0.235 242 R C 2.612 178.939 176.300 0.044 0.000 1.127 242 R CA 1.116 57.241 56.100 0.042 0.000 0.968 242 R CB -0.063 30.257 30.300 0.034 0.000 0.861 242 R HN 0.337 nan 8.270 nan 0.000 0.440 243 R N -0.796 119.737 120.500 0.055 0.000 2.161 243 R HA -0.013 4.308 4.340 -0.031 0.000 0.213 243 R C 1.949 178.289 176.300 0.067 0.000 1.055 243 R CA 1.580 57.710 56.100 0.050 0.000 0.996 243 R CB 0.142 30.466 30.300 0.041 0.000 0.901 243 R HN 0.290 nan 8.270 nan 0.000 0.456 244 T N -3.110 111.509 114.554 0.108 0.000 3.001 244 T HA 0.102 4.434 4.350 -0.031 0.000 0.251 244 T C 0.742 175.499 174.700 0.096 0.000 1.040 244 T CA -0.258 61.928 62.100 0.142 0.000 0.985 244 T CB 0.211 69.259 68.868 0.300 0.000 1.011 244 T HN 0.041 nan 8.240 nan 0.000 0.509 245 N N 0.576 119.316 118.700 0.067 0.000 2.753 245 N HA -0.136 4.586 4.740 -0.031 0.000 0.251 245 N C -0.190 175.310 175.510 -0.016 0.000 1.097 245 N CA 0.975 54.040 53.050 0.024 0.000 0.786 245 N CB -1.670 36.827 38.487 0.016 0.000 1.137 245 N HN 0.669 nan 8.380 nan 0.000 0.566 246 V N -0.445 119.448 119.914 -0.034 0.000 2.581 246 V HA 0.597 4.698 4.120 -0.031 0.000 0.303 246 V C 0.562 176.552 176.094 -0.172 0.000 1.041 246 V CA -0.492 61.692 62.300 -0.193 0.000 0.907 246 V CB 1.986 33.512 31.823 -0.494 0.000 0.994 246 V HN 0.185 nan 8.190 nan 0.000 0.442 247 S N 4.008 119.595 115.700 -0.188 0.000 2.568 247 S HA 0.449 4.900 4.470 -0.031 0.000 0.282 247 S C -0.048 174.497 174.600 -0.092 0.000 1.338 247 S CA -0.276 57.848 58.200 -0.127 0.000 1.045 247 S CB 1.223 64.329 63.200 -0.157 0.000 0.873 247 S HN 0.766 nan 8.310 nan 0.000 0.516 251 D N -0.098 120.410 120.400 0.180 0.000 3.000 251 D HA 0.057 4.679 4.640 -0.031 0.000 0.190 251 D C 1.370 177.853 176.300 0.304 0.000 1.503 251 D CA 0.851 54.998 54.000 0.245 0.000 1.496 251 D CB 0.187 41.151 40.800 0.273 0.000 1.163 251 D HN 0.478 nan 8.370 nan 0.000 0.231 252 E N 0.786 121.110 120.200 0.206 0.000 2.333 252 E HA -0.055 4.276 4.350 -0.031 0.000 0.198 252 E C 1.819 178.611 176.600 0.321 0.000 1.007 252 E CA 0.622 57.126 56.400 0.173 0.000 0.845 252 E CB -0.278 29.264 29.700 -0.264 0.000 0.766 252 E HN 0.076 nan 8.360 nan 0.000 0.507 253 S N 0.314 116.140 115.700 0.209 0.000 2.453 253 S HA 0.015 4.467 4.470 -0.031 0.000 0.231 253 S C 0.774 175.508 174.600 0.223 0.000 1.005 253 S CA 0.357 58.654 58.200 0.162 0.000 0.949 253 S CB 0.286 63.550 63.200 0.107 0.000 0.774 253 S HN 0.042 nan 8.310 nan 0.000 0.510 254 V N 1.343 121.461 119.914 0.340 0.000 2.380 254 V HA 0.280 4.381 4.120 -0.031 0.000 0.286 254 V C -0.570 175.860 176.094 0.561 0.000 1.015 254 V CA -0.640 61.874 62.300 0.357 0.000 0.834 254 V CB 1.030 32.996 31.823 0.239 0.000 1.009 254 V HN 0.456 nan 8.190 nan 0.000 0.428 255 W N 1.894 123.293 121.300 0.165 0.000 2.952 255 W HA 0.211 4.863 4.660 -0.014 0.000 0.251 255 W C 1.448 178.091 176.519 0.208 0.000 1.144 255 W CA 0.686 58.151 57.345 0.199 0.000 1.551 255 W CB -0.243 29.268 29.460 0.084 0.000 0.978 255 W HN 0.558 nan 8.180 nan 0.000 0.648 256 T N -2.663 112.074 114.554 0.306 0.000 2.952 256 T HA 0.375 4.706 4.350 -0.031 0.000 0.286 256 T C -1.914 172.809 174.700 0.038 0.000 1.024 256 T CA -1.979 60.200 62.100 0.130 0.000 1.029 256 T CB 2.426 71.341 68.868 0.078 0.000 1.094 256 T HN -0.367 nan 8.240 nan 0.000 0.515 257 P HA 0.006 nan 4.420 nan 0.000 0.216 257 P C 1.625 178.924 177.300 -0.001 0.000 1.150 257 P CA 1.404 64.491 63.100 -0.021 0.000 0.837 257 P CB -0.257 31.434 31.700 -0.016 0.000 0.786 258 A N -0.121 122.703 122.820 0.006 0.000 1.933 258 A HA -0.231 4.071 4.320 -0.031 0.000 0.218 258 A C 2.117 179.707 177.584 0.011 0.000 1.175 258 A CA 1.686 53.725 52.037 0.005 0.000 0.628 258 A CB -1.177 17.822 19.000 -0.001 0.000 0.814 258 A HN 0.179 nan 8.150 nan 0.000 0.444 259 E N -0.412 119.802 120.200 0.024 0.000 2.152 259 E HA -0.009 4.322 4.350 -0.031 0.000 0.192 259 E C 2.225 178.853 176.600 0.046 0.000 0.983 259 E CA 0.763 57.185 56.400 0.038 0.000 0.818 259 E CB -0.218 29.522 29.700 0.068 0.000 0.758 259 E HN 0.625 nan 8.360 nan 0.000 0.467 260 A N 1.179 124.021 122.820 0.037 0.000 1.930 260 A HA -0.124 4.177 4.320 -0.031 0.000 0.217 260 A C 2.111 179.707 177.584 0.020 0.000 1.175 260 A CA 0.717 52.770 52.037 0.028 0.000 0.627 260 A CB -0.454 18.543 19.000 -0.005 0.000 0.815 260 A HN 0.238 nan 8.150 nan 0.000 0.443 261 L N -0.673 120.558 121.223 0.013 0.000 2.027 261 L HA -0.161 4.161 4.340 -0.031 0.000 0.206 261 L C 2.890 179.767 176.870 0.013 0.000 1.074 261 L CA 1.605 56.451 54.840 0.010 0.000 0.745 261 L CB -0.634 41.429 42.059 0.006 0.000 0.898 261 L HN 0.438 nan 8.230 nan 0.000 0.433 262 A N -0.701 122.127 122.820 0.014 0.000 1.908 262 A HA -0.181 4.120 4.320 -0.031 0.000 0.218 262 A C 2.226 179.821 177.584 0.019 0.000 1.181 262 A CA 1.855 53.900 52.037 0.013 0.000 0.627 262 A CB -0.844 18.162 19.000 0.011 0.000 0.818 262 A HN 0.320 nan 8.150 nan 0.000 0.445 263 V N -0.585 119.345 119.914 0.027 0.000 2.343 263 V HA -0.220 3.881 4.120 -0.031 0.000 0.247 263 V C 2.583 178.692 176.094 0.025 0.000 1.051 263 V CA 1.938 64.258 62.300 0.032 0.000 1.036 263 V CB -0.549 31.302 31.823 0.046 0.000 0.654 263 V HN 0.381 nan 8.190 nan 0.000 0.451 264 V N -0.241 119.685 119.914 0.020 0.000 2.295 264 V HA -0.285 3.816 4.120 -0.031 0.000 0.246 264 V C 2.411 178.513 176.094 0.013 0.000 1.049 264 V CA 2.125 64.434 62.300 0.015 0.000 1.024 264 V CB -0.627 31.204 31.823 0.012 0.000 0.648 264 V HN 0.554 nan 8.190 nan 0.000 0.447 265 K N 0.157 120.564 120.400 0.012 0.000 2.148 265 K HA -0.046 4.255 4.320 -0.031 0.000 0.204 265 K C 1.988 178.594 176.600 0.011 0.000 1.050 265 K CA 1.389 57.682 56.287 0.010 0.000 0.942 265 K CB -0.276 32.229 32.500 0.008 0.000 0.724 265 K HN 0.479 nan 8.250 nan 0.000 0.446 266 A N 0.694 123.522 122.820 0.014 0.000 2.218 266 A HA -0.042 4.259 4.320 -0.031 0.000 0.209 266 A C 0.216 177.810 177.584 0.018 0.000 1.168 266 A CA 0.095 52.141 52.037 0.016 0.000 0.804 266 A CB -0.072 18.939 19.000 0.018 0.000 0.834 266 A HN 0.341 nan 8.150 nan 0.000 0.482 267 Q N -2.199 117.611 119.800 0.017 0.000 2.453 267 Q HA -0.282 4.039 4.340 -0.031 0.000 0.294 267 Q C 1.003 177.016 176.000 0.022 0.000 1.295 267 Q CA 0.280 56.093 55.803 0.016 0.000 0.853 267 Q CB -2.019 26.727 28.738 0.013 0.000 1.193 267 Q HN 0.822 nan 8.270 nan 0.000 0.461 268 A N -0.521 122.315 122.820 0.027 0.000 2.167 268 A HA 0.477 4.778 4.320 -0.031 0.000 0.214 268 A C 0.809 178.418 177.584 0.040 0.000 1.151 268 A CA 1.122 53.181 52.037 0.036 0.000 0.735 268 A CB 0.494 19.518 19.000 0.039 0.000 0.802 268 A HN 0.795 nan 8.150 nan 0.000 0.467 269 A N -1.061 121.778 122.820 0.031 0.000 2.565 269 A HA 0.516 4.817 4.320 -0.031 0.000 0.298 269 A C -0.652 176.933 177.584 0.002 0.000 1.062 269 A CA -0.350 51.703 52.037 0.025 0.000 0.723 269 A CB 0.399 19.424 19.000 0.042 0.000 1.282 269 A HN -0.041 nan 8.150 nan 0.000 0.400 270 D N 0.039 120.424 120.400 -0.026 0.000 2.277 270 D HA 0.174 4.795 4.640 -0.031 0.000 0.208 270 D C 0.476 176.728 176.300 -0.080 0.000 0.962 270 D CA 1.586 55.551 54.000 -0.059 0.000 0.865 270 D CB 0.339 41.081 40.800 -0.096 0.000 0.939 270 D HN 0.342 nan 8.370 nan 0.000 0.510 271 V N 0.951 120.823 119.914 -0.069 0.000 2.841 271 V HA 0.400 4.501 4.120 -0.031 0.000 0.310 271 V C -0.269 175.845 176.094 0.034 0.000 1.090 271 V CA -0.873 61.394 62.300 -0.055 0.000 0.930 271 V CB 3.008 34.732 31.823 -0.165 0.000 1.014 271 V HN -0.158 nan 8.190 nan 0.000 0.425 272 I N 2.648 123.269 120.570 0.085 0.000 2.406 272 I HA 0.600 4.752 4.170 -0.031 0.000 0.290 272 I C 0.507 176.735 176.117 0.186 0.000 0.999 272 I CA -0.742 60.634 61.300 0.126 0.000 1.124 272 I CB 1.974 40.040 38.000 0.110 0.000 1.289 272 I HN 0.765 nan 8.210 nan 0.000 0.441 273 A N 7.447 130.385 122.820 0.196 0.000 2.671 273 A HA 0.302 4.604 4.320 -0.031 0.000 0.306 273 A C -0.414 177.281 177.584 0.186 0.000 1.473 273 A CA -0.265 51.902 52.037 0.216 0.000 1.155 273 A CB -0.287 18.829 19.000 0.194 0.000 1.123 273 A HN 0.529 nan 8.150 nan 0.000 0.545 274 L N 2.962 124.305 121.223 0.201 0.000 2.283 274 L HA 0.444 4.765 4.340 -0.031 0.000 0.287 274 L C -0.241 176.638 176.870 0.014 0.000 1.073 274 L CA 0.213 55.213 54.840 0.268 0.000 0.822 274 L CB 0.074 42.270 42.059 0.228 0.000 1.186 274 L HN 0.514 nan 8.230 nan 0.000 0.436 275 K N 3.204 123.447 120.400 -0.263 0.000 2.413 275 K HA 0.324 4.625 4.320 -0.031 0.000 0.257 275 K C 1.067 177.348 176.600 -0.533 0.000 0.946 275 K CA 0.110 56.145 56.287 -0.421 0.000 0.823 275 K CB 1.629 33.829 32.500 -0.499 0.000 1.109 275 K HN 0.717 nan 8.250 nan 0.000 0.427 276 T N -2.022 112.298 114.554 -0.390 0.000 2.849 276 T HA -0.223 4.108 4.350 -0.031 0.000 0.270 276 T C 1.847 176.338 174.700 -0.349 0.000 1.066 276 T CA 2.043 63.918 62.100 -0.374 0.000 1.130 276 T CB -0.491 68.189 68.868 -0.314 0.000 0.864 276 T HN 0.689 nan 8.240 nan 0.000 0.481 277 T N 0.530 114.856 114.554 -0.381 0.000 2.770 277 T HA 0.050 4.381 4.350 -0.031 0.000 0.258 277 T C 1.925 176.162 174.700 -0.771 0.000 1.039 277 T CA 1.058 62.938 62.100 -0.367 0.000 1.143 277 T CB -0.386 68.371 68.868 -0.185 0.000 0.866 277 T HN 0.453 nan 8.240 nan 0.000 0.428 278 K N 0.530 120.264 120.400 -1.109 0.000 2.113 278 K HA -0.222 4.079 4.320 -0.031 0.000 0.208 278 K C 2.163 178.177 176.600 -0.976 0.000 1.047 278 K CA 1.641 56.941 56.287 -1.646 0.000 0.928 278 K CB -0.274 31.427 32.500 -1.331 0.000 0.716 278 K HN 0.505 nan 8.250 nan 0.000 0.446 279 H N -1.255 117.548 119.070 -0.445 0.000 2.555 279 H HA 0.119 4.656 4.556 -0.032 0.000 0.269 279 H C 1.154 176.386 175.328 -0.160 0.000 0.988 279 H CA 1.014 56.929 56.048 -0.221 0.000 1.178 279 H CB 0.550 30.197 29.762 -0.191 0.000 1.373 279 H HN 0.560 nan 8.280 nan 0.000 0.588 280 G N -0.230 108.489 108.800 -0.135 0.000 2.140 280 G HA2 0.016 3.958 3.960 -0.031 0.000 0.211 280 G HA3 0.016 3.958 3.960 -0.031 0.000 0.211 280 G C 0.575 175.454 174.900 -0.035 0.000 1.013 280 G CA 0.268 45.331 45.100 -0.062 0.000 0.705 280 G HN 0.936 nan 8.290 nan 0.000 0.508 281 G N -1.983 106.772 108.800 -0.075 0.000 2.371 281 G HA2 0.188 4.130 3.960 -0.031 0.000 0.663 281 G HA3 0.188 4.130 3.960 -0.031 0.000 0.663 281 G C 0.640 175.486 174.900 -0.090 0.000 1.311 281 G CA -0.109 44.966 45.100 -0.042 0.000 0.985 281 G HN 0.985 nan 8.290 nan 0.000 0.566 282 L N 0.293 121.480 121.223 -0.060 0.000 2.072 282 L HA 0.090 4.411 4.340 -0.031 0.000 0.205 282 L C 3.060 179.942 176.870 0.019 0.000 1.079 282 L CA 1.026 55.797 54.840 -0.115 0.000 0.752 282 L CB -0.494 41.410 42.059 -0.258 0.000 0.906 282 L HN 0.529 nan 8.230 nan 0.000 0.436 283 L N -0.561 120.731 121.223 0.116 0.000 1.994 283 L HA -0.192 4.129 4.340 -0.031 0.000 0.208 283 L C 2.802 179.717 176.870 0.075 0.000 1.071 283 L CA 1.217 56.140 54.840 0.138 0.000 0.745 283 L CB -0.655 41.499 42.059 0.159 0.000 0.892 283 L HN 0.294 nan 8.230 nan 0.000 0.431 284 E N 0.094 120.314 120.200 0.034 0.000 2.077 284 E HA -0.162 4.169 4.350 -0.031 0.000 0.193 284 E C 2.349 178.913 176.600 -0.059 0.000 0.989 284 E CA 1.348 57.748 56.400 0.001 0.000 0.800 284 E CB -0.249 29.459 29.700 0.014 0.000 0.746 284 E HN 0.359 nan 8.360 nan 0.000 0.452 285 S N 0.891 116.515 115.700 -0.127 0.000 2.400 285 S HA -0.114 4.337 4.470 -0.031 0.000 0.232 285 S C 1.765 176.378 174.600 0.022 0.000 1.025 285 S CA 0.870 58.896 58.200 -0.291 0.000 0.993 285 S CB 0.014 62.665 63.200 -0.915 0.000 0.808 285 S HN 0.123 nan 8.310 nan 0.000 0.478 286 K N 1.578 122.108 120.400 0.217 0.000 2.097 286 K HA 0.002 4.304 4.320 -0.031 0.000 0.206 286 K C 1.938 178.618 176.600 0.134 0.000 1.049 286 K CA 1.113 57.586 56.287 0.309 0.000 0.933 286 K CB -0.277 32.355 32.500 0.219 0.000 0.717 286 K HN 0.396 nan 8.250 nan 0.000 0.442 287 K N 0.499 120.933 120.400 0.056 0.000 2.057 287 K HA -0.045 4.256 4.320 -0.031 0.000 0.207 287 K C 2.110 178.698 176.600 -0.021 0.000 1.049 287 K CA 0.886 57.181 56.287 0.013 0.000 0.931 287 K CB -0.130 32.368 32.500 -0.003 0.000 0.714 287 K HN 0.007 nan 8.250 nan 0.000 0.440 288 I N 1.544 122.060 120.570 -0.089 0.000 2.163 288 I HA -0.251 3.900 4.170 -0.031 0.000 0.243 288 I C 2.547 178.646 176.117 -0.030 0.000 1.085 288 I CA 1.480 62.690 61.300 -0.150 0.000 1.347 288 I CB -1.435 36.304 38.000 -0.435 0.000 1.044 288 I HN 0.123 nan 8.210 nan 0.000 0.408 289 A N 0.773 123.626 122.820 0.054 0.000 1.933 289 A HA -0.095 4.207 4.320 -0.031 0.000 0.218 289 A C 2.578 180.189 177.584 0.045 0.000 1.175 289 A CA 1.956 54.046 52.037 0.090 0.000 0.628 289 A CB -0.717 18.382 19.000 0.165 0.000 0.814 289 A HN 0.434 nan 8.150 nan 0.000 0.444 290 A N 0.152 122.994 122.820 0.036 0.000 1.858 290 A HA -0.081 4.220 4.320 -0.031 0.000 0.216 290 A C 2.125 179.717 177.584 0.013 0.000 1.190 290 A CA 1.538 53.587 52.037 0.020 0.000 0.617 290 A CB -0.660 18.352 19.000 0.020 0.000 0.827 290 A HN 0.483 nan 8.150 nan 0.000 0.443 291 I N -0.118 120.457 120.570 0.008 0.000 2.127 291 I HA -0.308 3.843 4.170 -0.031 0.000 0.241 291 I C 3.011 179.133 176.117 0.009 0.000 1.075 291 I CA 1.204 62.507 61.300 0.005 0.000 1.334 291 I CB -0.454 37.545 38.000 -0.003 0.000 1.040 291 I HN 0.362 nan 8.210 nan 0.000 0.405 292 A N 0.285 123.112 122.820 0.012 0.000 1.883 292 A HA -0.298 4.003 4.320 -0.031 0.000 0.217 292 A C 2.344 179.938 177.584 0.018 0.000 1.186 292 A CA 2.171 54.219 52.037 0.019 0.000 0.624 292 A CB -0.758 18.261 19.000 0.032 0.000 0.822 292 A HN 0.541 nan 8.150 nan 0.000 0.444 293 E N -0.233 119.978 120.200 0.019 0.000 2.110 293 E HA -0.113 4.219 4.350 -0.031 0.000 0.193 293 E C 2.078 178.683 176.600 0.009 0.000 0.988 293 E CA 0.980 57.389 56.400 0.014 0.000 0.804 293 E CB -0.253 29.453 29.700 0.012 0.000 0.745 293 E HN 0.540 nan 8.360 nan 0.000 0.458 294 A N 0.504 123.329 122.820 0.008 0.000 1.969 294 A HA -0.048 4.253 4.320 -0.031 0.000 0.218 294 A C 2.232 179.820 177.584 0.006 0.000 1.169 294 A CA 1.444 53.485 52.037 0.006 0.000 0.635 294 A CB -0.622 18.381 19.000 0.006 0.000 0.810 294 A HN 0.395 nan 8.150 nan 0.000 0.445 295 G N -2.189 106.616 108.800 0.007 0.000 3.042 295 G HA2 0.372 4.314 3.960 -0.031 0.000 0.212 295 G HA3 0.372 4.314 3.960 -0.031 0.000 0.212 295 G C 1.124 176.027 174.900 0.004 0.000 1.166 295 G CA 0.480 45.584 45.100 0.006 0.000 0.767 295 G HN 1.581 nan 8.290 nan 0.000 0.546 296 G N -0.295 108.507 108.800 0.005 0.000 2.162 296 G HA2 -0.263 3.678 3.960 -0.031 0.000 0.260 296 G HA3 -0.263 3.678 3.960 -0.031 0.000 0.260 296 G C 0.352 175.252 174.900 -0.001 0.000 0.976 296 G CA 0.267 45.368 45.100 0.002 0.000 0.655 296 G HN 0.485 nan 8.290 nan 0.000 0.533 297 L N 0.911 122.136 121.223 0.004 0.000 2.290 297 L HA 0.650 4.972 4.340 -0.031 0.000 0.284 297 L C 1.107 177.984 176.870 0.012 0.000 1.078 297 L CA -0.300 54.541 54.840 0.002 0.000 0.815 297 L CB 1.296 43.361 42.059 0.011 0.000 1.162 297 L HN 0.295 nan 8.230 nan 0.000 0.435 298 A N 3.071 125.890 122.820 -0.003 0.000 2.425 298 A HA 0.337 4.638 4.320 -0.031 0.000 0.249 298 A C -0.213 177.417 177.584 0.077 0.000 1.084 298 A CA -0.239 51.815 52.037 0.027 0.000 0.781 298 A CB 0.269 19.258 19.000 -0.018 0.000 1.019 298 A HN 0.808 nan 8.150 nan 0.000 0.490 299 C N 1.456 120.834 119.300 0.129 0.000 2.355 299 C HA 0.637 5.079 4.460 -0.031 0.000 0.332 299 C C 0.130 175.280 174.990 0.266 0.000 1.255 299 C CA -0.196 58.927 59.018 0.175 0.000 1.792 299 C CB 0.397 28.228 27.740 0.150 0.000 2.300 299 C HN 1.004 nan 8.230 nan 0.000 0.515 300 H N 0.234 119.410 119.070 0.177 0.000 2.469 300 H HA 0.521 5.064 4.556 -0.021 0.000 0.342 300 H C 0.490 175.888 175.328 0.118 0.000 1.115 300 H CA 0.072 56.231 56.048 0.185 0.000 1.204 300 H CB 1.209 31.122 29.762 0.252 0.000 1.492 300 H HN 0.786 nan 8.280 nan 0.000 0.499 301 G N 3.909 112.476 108.800 -0.389 0.000 3.008 301 G HA2 0.437 4.378 3.960 -0.031 0.000 0.272 301 G HA3 0.437 4.378 3.960 -0.031 0.000 0.272 301 G C 0.136 174.803 174.900 -0.387 0.000 0.764 301 G CA 0.144 45.080 45.100 -0.274 0.000 2.029 301 G HN 0.819 nan 8.290 nan 0.000 0.587 302 A N 1.738 124.459 122.820 -0.165 0.000 2.310 302 A HA 0.776 5.077 4.320 -0.031 0.000 0.260 302 A C 0.657 178.135 177.584 -0.177 0.000 1.112 302 A CA 0.013 52.021 52.037 -0.048 0.000 0.804 302 A CB 0.930 19.993 19.000 0.105 0.000 1.081 302 A HN 0.630 nan 8.150 nan 0.000 0.499 303 T N -1.265 113.166 114.554 -0.205 0.000 2.906 303 T HA 0.493 4.825 4.350 -0.031 0.000 0.295 303 T C 0.036 174.554 174.700 -0.303 0.000 1.061 303 T CA -0.180 61.738 62.100 -0.304 0.000 1.000 303 T CB 1.312 69.902 68.868 -0.463 0.000 1.103 303 T HN 0.459 nan 8.240 nan 0.000 0.486 304 S N 2.802 118.303 115.700 -0.331 0.000 2.561 304 S HA 0.271 4.723 4.470 -0.031 0.000 0.245 304 S C -0.176 174.247 174.600 -0.294 0.000 1.001 304 S CA -0.370 57.597 58.200 -0.389 0.000 1.002 304 S CB -0.522 62.445 63.200 -0.389 0.000 0.805 304 S HN 0.716 nan 8.310 nan 0.000 0.458 305 L N 1.724 122.784 121.223 -0.272 0.000 3.601 305 L HA -0.183 4.138 4.340 -0.031 0.000 0.469 305 L C -0.006 176.756 176.870 -0.181 0.000 1.294 305 L CA 0.530 55.236 54.840 -0.223 0.000 0.829 305 L CB -2.005 40.002 42.059 -0.086 0.000 1.628 305 L HN 0.331 nan 8.230 nan 0.000 0.868 306 E N -0.692 119.390 120.200 -0.197 0.000 2.349 306 E HA 0.586 4.918 4.350 -0.031 0.000 0.262 306 E C 1.128 177.689 176.600 -0.065 0.000 1.088 306 E CA 0.216 56.543 56.400 -0.122 0.000 0.899 306 E CB 0.441 30.065 29.700 -0.126 0.000 1.044 306 E HN 0.372 nan 8.360 nan 0.000 0.420 307 G N 1.140 109.955 108.800 0.025 0.000 2.516 307 G HA2 0.075 4.016 3.960 -0.031 0.000 0.276 307 G HA3 0.075 4.016 3.960 -0.031 0.000 0.276 307 G C -1.440 173.507 174.900 0.079 0.000 1.390 307 G CA -0.719 44.453 45.100 0.121 0.000 1.050 307 G HN 0.434 nan 8.290 nan 0.000 0.519 308 P HA -0.067 nan 4.420 nan 0.000 0.218 308 P C 1.749 179.150 177.300 0.168 0.000 1.149 308 P CA 0.784 64.028 63.100 0.239 0.000 0.817 308 P CB 0.219 31.979 31.700 0.100 0.000 0.785 309 I N -0.178 120.393 120.570 0.002 0.000 2.500 309 I HA -0.041 4.111 4.170 -0.031 0.000 0.252 309 I C 2.490 178.645 176.117 0.064 0.000 1.142 309 I CA 1.538 62.862 61.300 0.040 0.000 1.451 309 I CB -1.720 36.307 38.000 0.045 0.000 1.093 309 I HN 0.012 nan 8.210 nan 0.000 0.430 310 G N -0.259 108.565 108.800 0.039 0.000 2.459 310 G HA2 -0.125 3.817 3.960 -0.031 0.000 0.213 310 G HA3 -0.125 3.817 3.960 -0.031 0.000 0.213 310 G C 1.572 176.433 174.900 -0.064 0.000 1.155 310 G CA 0.631 45.725 45.100 -0.010 0.000 0.811 310 G HN 0.273 nan 8.290 nan 0.000 0.534 311 T N 1.445 115.941 114.554 -0.097 0.000 2.962 311 T HA 0.131 4.462 4.350 -0.031 0.000 0.270 311 T C 2.594 177.174 174.700 -0.201 0.000 1.088 311 T CA 1.199 63.170 62.100 -0.214 0.000 1.127 311 T CB -0.033 68.621 68.868 -0.356 0.000 0.883 311 T HN 0.340 nan 8.240 nan 0.000 0.493 312 A N 1.025 123.822 122.820 -0.038 0.000 1.943 312 A HA 0.517 4.818 4.320 -0.031 0.000 0.213 312 A C 2.565 180.170 177.584 0.034 0.000 1.181 312 A CA 1.032 53.111 52.037 0.071 0.000 0.653 312 A CB -0.773 18.373 19.000 0.243 0.000 0.833 312 A HN 0.443 nan 8.150 nan 0.000 0.451 313 A N -0.395 122.438 122.820 0.022 0.000 2.019 313 A HA -0.041 4.260 4.320 -0.031 0.000 0.219 313 A C 2.307 179.891 177.584 -0.000 0.000 1.164 313 A CA 1.997 54.043 52.037 0.015 0.000 0.644 313 A CB -0.569 18.436 19.000 0.008 0.000 0.805 313 A HN 0.405 nan 8.150 nan 0.000 0.449 314 S N -0.587 115.092 115.700 -0.035 0.000 2.446 314 S HA 0.104 4.556 4.470 -0.031 0.000 0.225 314 S C 1.683 176.295 174.600 0.020 0.000 1.016 314 S CA 0.623 58.806 58.200 -0.027 0.000 0.943 314 S CB -0.245 62.891 63.200 -0.107 0.000 0.786 314 S HN 0.522 nan 8.310 nan 0.000 0.508 315 L N 1.263 122.472 121.223 -0.025 0.000 2.156 315 L HA -0.070 4.252 4.340 -0.031 0.000 0.208 315 L C 2.639 179.510 176.870 0.002 0.000 1.095 315 L CA 0.806 55.628 54.840 -0.030 0.000 0.770 315 L CB -0.357 41.669 42.059 -0.055 0.000 0.914 315 L HN 0.243 nan 8.230 nan 0.000 0.439 316 Q N -0.713 119.102 119.800 0.025 0.000 2.119 316 Q HA -0.203 4.118 4.340 -0.031 0.000 0.201 316 Q C 2.108 178.122 176.000 0.023 0.000 0.972 316 Q CA 1.655 57.468 55.803 0.017 0.000 0.847 316 Q CB -0.348 28.403 28.738 0.022 0.000 0.903 316 Q HN 0.451 nan 8.270 nan 0.000 0.433 317 F N 1.029 120.931 119.950 -0.079 0.000 2.163 317 F HA -0.078 4.426 4.527 -0.038 0.000 0.297 317 F C 2.128 177.889 175.800 -0.065 0.000 1.094 317 F CA 1.268 59.221 58.000 -0.078 0.000 1.290 317 F CB -0.095 38.858 39.000 -0.079 0.000 1.017 317 F HN 0.038 nan 8.300 nan 0.000 0.483 318 A N -0.021 122.815 122.820 0.028 0.000 2.067 318 A HA 0.039 4.340 4.320 -0.031 0.000 0.219 318 A C 2.173 179.684 177.584 -0.122 0.000 1.158 318 A CA 1.328 53.329 52.037 -0.060 0.000 0.661 318 A CB -1.242 17.750 19.000 -0.014 0.000 0.801 318 A HN 0.460 nan 8.150 nan 0.000 0.452 319 A N -0.184 122.570 122.820 -0.110 0.000 2.072 319 A HA 0.131 4.432 4.320 -0.031 0.000 0.216 319 A C 2.149 179.654 177.584 -0.132 0.000 1.156 319 A CA 1.540 53.517 52.037 -0.099 0.000 0.701 319 A CB -0.356 18.604 19.000 -0.067 0.000 0.816 319 A HN 0.884 nan 8.150 nan 0.000 0.458 320 S N -1.759 113.821 115.700 -0.200 0.000 2.539 320 S HA 0.148 4.600 4.470 -0.031 0.000 0.221 320 S C 0.243 174.669 174.600 -0.289 0.000 0.987 320 S CA 0.204 58.276 58.200 -0.213 0.000 0.929 320 S CB -0.044 63.036 63.200 -0.200 0.000 0.832 320 S HN 0.176 nan 8.310 nan 0.000 0.492 321 T N 2.720 117.044 114.554 -0.384 0.000 2.842 321 T HA 0.389 4.721 4.350 -0.031 0.000 0.308 321 T C 0.507 175.080 174.700 -0.212 0.000 1.041 321 T CA -0.735 61.129 62.100 -0.394 0.000 0.964 321 T CB 1.598 70.003 68.868 -0.772 0.000 0.972 321 T HN -0.054 nan 8.240 nan 0.000 0.460 322 K N 2.612 122.930 120.400 -0.137 0.000 2.209 322 K HA -0.035 4.266 4.320 -0.031 0.000 0.204 322 K C 2.218 178.790 176.600 -0.047 0.000 1.048 322 K CA 0.948 57.189 56.287 -0.076 0.000 0.940 322 K CB -0.402 32.065 32.500 -0.055 0.000 0.729 322 K HN 0.689 nan 8.250 nan 0.000 0.451 323 A N 1.119 123.908 122.820 -0.051 0.000 2.076 323 A HA -0.101 4.200 4.320 -0.031 0.000 0.220 323 A C 0.981 178.584 177.584 0.032 0.000 1.160 323 A CA 0.577 52.612 52.037 -0.003 0.000 0.653 323 A CB -0.290 18.716 19.000 0.009 0.000 0.801 323 A HN 0.145 nan 8.150 nan 0.000 0.455 324 I N 1.899 122.476 120.570 0.012 0.000 2.460 324 I HA 0.018 4.170 4.170 -0.031 0.000 0.297 324 I C 1.038 177.189 176.117 0.058 0.000 1.139 324 I CA 0.769 62.102 61.300 0.056 0.000 1.340 324 I CB -0.234 37.778 38.000 0.021 0.000 1.444 324 I HN 0.369 nan 8.210 nan 0.000 0.557 325 S N 4.732 120.498 115.700 0.110 0.000 2.603 325 S HA 0.076 4.528 4.470 -0.031 0.000 0.232 325 S C 0.436 175.166 174.600 0.218 0.000 1.016 325 S CA -0.207 58.065 58.200 0.119 0.000 0.976 325 S CB -0.005 63.250 63.200 0.092 0.000 0.921 325 S HN 0.529 nan 8.310 nan 0.000 0.516 326 Y N 2.845 123.205 120.300 0.099 0.000 2.669 326 Y HA 0.497 5.028 4.550 -0.033 0.000 0.302 326 Y C 0.883 176.939 175.900 0.259 0.000 1.000 326 Y CA -0.316 57.872 58.100 0.147 0.000 1.222 326 Y CB 0.002 38.550 38.460 0.147 0.000 1.209 326 Y HN 0.477 nan 8.280 nan 0.000 0.571 327 G N 1.244 110.078 108.800 0.057 0.000 2.692 327 G HA2 -0.136 3.806 3.960 -0.031 0.000 0.248 327 G HA3 -0.136 3.806 3.960 -0.031 0.000 0.248 327 G C -0.067 174.734 174.900 -0.165 0.000 1.340 327 G CA 0.093 45.172 45.100 -0.035 0.000 0.896 327 G HN 0.995 nan 8.290 nan 0.000 0.570 328 T N -3.663 110.743 114.554 -0.246 0.000 2.778 328 T HA 0.755 5.086 4.350 -0.031 0.000 0.293 328 T C 0.120 174.685 174.700 -0.226 0.000 1.144 328 T CA 0.426 62.198 62.100 -0.547 0.000 1.010 328 T CB 2.051 70.752 68.868 -0.279 0.000 1.325 328 T HN 1.664 nan 8.240 nan 0.000 0.515 329 E N 0.289 120.375 120.200 -0.191 0.000 3.191 329 E HA 0.293 4.624 4.350 -0.031 0.000 0.192 329 E C -0.362 176.085 176.600 -0.256 0.000 0.972 329 E CA -0.497 55.930 56.400 0.044 0.000 1.266 329 E CB -0.174 29.654 29.700 0.215 0.000 1.076 329 E HN 0.487 nan 8.360 nan 0.000 0.462 330 L N 2.476 123.578 121.223 -0.202 0.000 2.416 330 L HA 0.210 4.532 4.340 -0.031 0.000 0.243 330 L C 0.128 176.932 176.870 -0.111 0.000 1.373 330 L CA -0.335 54.344 54.840 -0.268 0.000 1.227 330 L CB -0.721 41.215 42.059 -0.205 0.000 1.428 330 L HN 0.400 nan 8.230 nan 0.000 0.425 331 F N -1.999 117.931 119.950 -0.034 0.000 2.695 331 F HA 0.404 4.927 4.527 -0.007 0.000 0.303 331 F C 1.779 177.501 175.800 -0.129 0.000 1.091 331 F CA -0.543 57.409 58.000 -0.081 0.000 1.300 331 F CB -1.119 37.866 39.000 -0.026 0.000 1.071 331 F HN 0.201 nan 8.300 nan 0.000 0.578 332 G N 2.749 111.392 108.800 -0.261 0.000 3.026 332 G HA2 -0.377 3.564 3.960 -0.031 0.000 0.247 332 G HA3 -0.377 3.564 3.960 -0.031 0.000 0.247 332 G C -0.488 174.437 174.900 0.041 0.000 1.106 332 G CA 1.834 46.848 45.100 -0.142 0.000 0.754 332 G HN 0.313 nan 8.290 nan 0.000 0.899 333 P HA -0.193 nan 4.420 nan 0.000 0.220 333 P C 1.878 179.250 177.300 0.120 0.000 1.155 333 P CA 2.090 65.279 63.100 0.148 0.000 0.880 333 P CB -0.231 31.664 31.700 0.324 0.000 0.790 334 Q N -1.889 117.940 119.800 0.048 0.000 2.449 334 Q HA -0.155 4.167 4.340 -0.031 0.000 0.214 334 Q C 1.650 177.719 176.000 0.114 0.000 0.986 334 Q CA 0.755 56.540 55.803 -0.030 0.000 0.893 334 Q CB -0.449 28.120 28.738 -0.282 0.000 0.940 334 Q HN 0.270 nan 8.270 nan 0.000 0.477 335 L N -0.473 120.834 121.223 0.141 0.000 2.463 335 L HA 0.141 4.463 4.340 -0.031 0.000 0.219 335 L C 0.373 177.270 176.870 0.044 0.000 1.088 335 L CA 0.492 55.389 54.840 0.095 0.000 0.849 335 L CB 0.412 42.477 42.059 0.011 0.000 1.012 335 L HN 0.051 nan 8.230 nan 0.000 0.468 336 L N 0.301 121.552 121.223 0.047 0.000 2.410 336 L HA 0.048 4.370 4.340 -0.031 0.000 0.273 336 L C 1.435 178.334 176.870 0.048 0.000 1.152 336 L CA 0.099 54.954 54.840 0.026 0.000 0.855 336 L CB 0.422 42.503 42.059 0.036 0.000 1.129 336 L HN 0.044 nan 8.230 nan 0.000 0.463 337 K N 0.878 121.301 120.400 0.038 0.000 2.442 337 K HA -0.075 4.226 4.320 -0.031 0.000 0.198 337 K C -0.083 176.578 176.600 0.103 0.000 1.042 337 K CA 0.839 57.170 56.287 0.073 0.000 0.958 337 K CB 0.247 32.795 32.500 0.080 0.000 0.766 337 K HN 0.693 nan 8.250 nan 0.000 0.474 338 D N -2.452 118.000 120.400 0.086 0.000 2.639 338 D HA 0.169 4.790 4.640 -0.031 0.000 0.271 338 D C -1.256 175.114 176.300 0.117 0.000 1.254 338 D CA -0.556 53.529 54.000 0.142 0.000 0.810 338 D CB 1.827 42.801 40.800 0.289 0.000 1.351 338 D HN -0.087 nan 8.370 nan 0.000 0.427 339 T N -0.785 113.880 114.554 0.184 0.000 2.762 339 T HA 0.618 4.949 4.350 -0.031 0.000 0.272 339 T C -1.054 173.864 174.700 0.362 0.000 0.982 339 T CA -0.262 61.971 62.100 0.222 0.000 1.013 339 T CB 0.529 69.459 68.868 0.103 0.000 1.309 339 T HN 0.497 nan 8.240 nan 0.000 0.572 340 Y N -0.091 120.244 120.300 0.058 0.000 2.990 340 Y HA 0.573 5.103 4.550 -0.034 0.000 0.240 340 Y C -0.142 175.757 175.900 -0.002 0.000 1.060 340 Y CA -0.759 57.382 58.100 0.068 0.000 1.167 340 Y CB -1.044 37.473 38.460 0.096 0.000 1.242 340 Y HN 0.333 nan 8.280 nan 0.000 0.650 341 I N 0.035 120.443 120.570 -0.270 0.000 4.009 341 I HA 0.353 4.504 4.170 -0.031 0.000 0.331 341 I C 1.197 177.195 176.117 -0.198 0.000 1.462 341 I CA -0.266 60.842 61.300 -0.320 0.000 1.117 341 I CB 0.202 37.952 38.000 -0.416 0.000 1.091 341 I HN 0.176 nan 8.210 nan 0.000 0.410 342 V N -0.960 118.886 119.914 -0.113 0.000 0.558 342 V HA -0.467 3.634 4.120 -0.031 0.000 0.092 342 V C 0.911 176.938 176.094 -0.112 0.000 2.022 342 V CA 2.285 64.534 62.300 -0.086 0.000 3.478 342 V CB -1.607 30.171 31.823 -0.075 0.000 0.770 342 V HN 0.531 nan 8.190 nan 0.000 0.801 343 Q N 0.607 120.301 119.800 -0.176 0.000 2.237 343 Q HA 0.654 4.975 4.340 -0.031 0.000 0.219 343 Q C -0.094 175.740 176.000 -0.276 0.000 0.999 343 Q CA 0.042 55.723 55.803 -0.203 0.000 0.959 343 Q CB 0.784 29.383 28.738 -0.231 0.000 1.173 343 Q HN 0.689 nan 8.270 nan 0.000 0.527 344 E N 0.127 120.183 120.200 -0.240 0.000 2.212 344 E HA 0.354 4.685 4.350 -0.031 0.000 0.268 344 E C -1.093 175.365 176.600 -0.237 0.000 0.902 344 E CA -0.582 55.698 56.400 -0.200 0.000 0.779 344 E CB 1.119 30.798 29.700 -0.035 0.000 1.172 344 E HN 0.293 nan 8.360 nan 0.000 0.409 345 F N 1.511 121.464 119.950 0.006 0.000 2.429 345 F HA 0.116 4.619 4.527 -0.041 0.000 0.348 345 F C 0.837 176.575 175.800 -0.104 0.000 1.109 345 F CA -0.212 57.730 58.000 -0.098 0.000 1.232 345 F CB 0.669 39.589 39.000 -0.133 0.000 1.157 345 F HN 0.284 nan 8.300 nan 0.000 0.564 346 E N 3.205 123.401 120.200 -0.006 0.000 1.993 346 E HA 0.160 4.491 4.350 -0.031 0.000 0.271 346 E C -1.493 175.051 176.600 -0.094 0.000 1.008 346 E CA -0.369 56.030 56.400 -0.001 0.000 0.814 346 E CB 0.396 30.097 29.700 0.001 0.000 1.098 346 E HN 0.444 nan 8.360 nan 0.000 0.407 347 Y N 3.306 123.698 120.300 0.153 0.000 2.341 347 Y HA 0.278 4.804 4.550 -0.039 0.000 0.340 347 Y C 0.311 176.358 175.900 0.245 0.000 0.997 347 Y CA -0.456 57.727 58.100 0.137 0.000 1.149 347 Y CB 1.111 39.567 38.460 -0.007 0.000 1.171 347 Y HN 0.371 nan 8.280 nan 0.000 0.494 348 K N 0.978 121.563 120.400 0.309 0.000 2.675 348 K HA 0.269 4.570 4.320 -0.031 0.000 0.280 348 K C -1.465 175.223 176.600 0.147 0.000 0.993 348 K CA -0.958 55.470 56.287 0.236 0.000 0.863 348 K CB 1.232 33.824 32.500 0.153 0.000 1.438 348 K HN 0.434 nan 8.250 nan 0.000 0.389 349 D N 0.984 121.454 120.400 0.116 0.000 2.746 349 D HA -0.159 4.462 4.640 -0.031 0.000 0.236 349 D C 0.677 177.019 176.300 0.071 0.000 1.129 349 D CA 1.954 55.998 54.000 0.073 0.000 0.691 349 D CB -1.381 39.448 40.800 0.049 0.000 1.077 349 D HN 1.327 nan 8.370 nan 0.000 0.432 350 G N 0.015 108.874 108.800 0.099 0.000 2.283 350 G HA2 -0.326 3.615 3.960 -0.031 0.000 0.280 350 G HA3 -0.326 3.615 3.960 -0.031 0.000 0.280 350 G C 0.265 175.209 174.900 0.072 0.000 1.029 350 G CA 1.359 46.500 45.100 0.069 0.000 0.840 350 G HN 0.573 nan 8.290 nan 0.000 0.505 351 Q N -2.498 117.367 119.800 0.108 0.000 2.943 351 Q HA 0.799 5.121 4.340 -0.031 0.000 0.341 351 Q C -1.209 174.839 176.000 0.080 0.000 0.858 351 Q CA -0.657 55.191 55.803 0.076 0.000 0.804 351 Q CB 2.612 31.368 28.738 0.030 0.000 1.399 351 Q HN 0.772 nan 8.270 nan 0.000 0.511 352 V N -0.095 119.797 119.914 -0.037 0.000 2.851 352 V HA 0.678 4.779 4.120 -0.031 0.000 0.290 352 V C -1.797 174.208 176.094 -0.149 0.000 1.330 352 V CA -0.296 61.873 62.300 -0.218 0.000 0.944 352 V CB 1.570 33.085 31.823 -0.513 0.000 1.090 352 V HN 0.893 nan 8.190 nan 0.000 0.436 353 A N 6.445 129.193 122.820 -0.119 0.000 2.371 353 A HA 0.767 5.068 4.320 -0.031 0.000 0.257 353 A C -0.271 177.284 177.584 -0.049 0.000 1.089 353 A CA -0.329 51.669 52.037 -0.064 0.000 0.794 353 A CB 0.341 19.319 19.000 -0.037 0.000 1.029 353 A HN 0.910 nan 8.150 nan 0.000 0.488 354 I N 2.513 123.063 120.570 -0.033 0.000 2.556 354 I HA 0.211 4.363 4.170 -0.031 0.000 0.284 354 I C -1.965 174.160 176.117 0.013 0.000 1.114 354 I CA -1.534 59.759 61.300 -0.011 0.000 1.418 354 I CB 0.474 38.461 38.000 -0.021 0.000 1.394 354 I HN 0.365 nan 8.210 nan 0.000 0.552 355 P HA 0.086 nan 4.420 nan 0.000 0.267 355 P C -0.779 176.526 177.300 0.008 0.000 1.209 355 P CA -0.207 62.916 63.100 0.037 0.000 0.763 355 P CB 0.403 32.152 31.700 0.082 0.000 0.816 356 Q N 1.953 121.747 119.800 -0.010 0.000 2.221 356 Q HA 0.671 4.992 4.340 -0.031 0.000 0.242 356 Q C 0.735 176.726 176.000 -0.015 0.000 0.940 356 Q CA -0.036 55.759 55.803 -0.013 0.000 0.896 356 Q CB 1.475 30.203 28.738 -0.017 0.000 1.226 356 Q HN 0.737 nan 8.270 nan 0.000 0.463 357 G N 1.095 109.888 108.800 -0.012 0.000 2.423 357 G HA2 -0.069 3.872 3.960 -0.031 0.000 0.684 357 G HA3 -0.069 3.872 3.960 -0.031 0.000 0.684 357 G C -2.914 171.984 174.900 -0.003 0.000 1.309 357 G CA -0.933 44.161 45.100 -0.010 0.000 0.950 357 G HN 0.446 nan 8.290 nan 0.000 0.587 358 P HA 0.430 nan 4.420 nan 0.000 0.272 358 P C 1.397 178.712 177.300 0.025 0.000 1.254 358 P CA 1.476 64.582 63.100 0.009 0.000 0.795 358 P CB 0.090 31.798 31.700 0.013 0.000 1.022 359 G N 0.103 108.924 108.800 0.036 0.000 2.578 359 G HA2 -0.307 3.635 3.960 -0.031 0.000 0.313 359 G HA3 -0.307 3.635 3.960 -0.031 0.000 0.313 359 G C 0.807 175.742 174.900 0.059 0.000 1.324 359 G CA 0.198 45.335 45.100 0.061 0.000 0.955 359 G HN 0.492 nan 8.290 nan 0.000 0.541 360 L N 2.292 123.562 121.223 0.077 0.000 2.551 360 L HA 0.125 4.446 4.340 -0.031 0.000 0.230 360 L C 2.692 179.595 176.870 0.054 0.000 1.163 360 L CA 2.469 57.353 54.840 0.073 0.000 0.826 360 L CB -1.773 40.341 42.059 0.092 0.000 0.943 360 L HN 2.248 nan 8.230 nan 0.000 0.452 361 G N -0.536 108.286 108.800 0.036 0.000 2.160 361 G HA2 -0.207 3.735 3.960 -0.031 0.000 0.244 361 G HA3 -0.207 3.735 3.960 -0.031 0.000 0.244 361 G C 0.054 174.944 174.900 -0.016 0.000 1.022 361 G CA 0.358 45.465 45.100 0.012 0.000 0.741 361 G HN 0.284 nan 8.290 nan 0.000 0.508 362 V N 0.026 119.929 119.914 -0.018 0.000 2.823 362 V HA 0.456 4.558 4.120 -0.031 0.000 0.296 362 V C -1.352 174.709 176.094 -0.054 0.000 1.250 362 V CA -0.652 61.598 62.300 -0.083 0.000 0.939 362 V CB 1.785 33.521 31.823 -0.145 0.000 1.062 362 V HN 0.328 nan 8.190 nan 0.000 0.433 363 D N 4.026 124.386 120.400 -0.067 0.000 2.225 363 D HA 0.523 5.144 4.640 -0.031 0.000 0.249 363 D C 0.059 176.296 176.300 -0.104 0.000 1.052 363 D CA -0.179 53.800 54.000 -0.036 0.000 0.909 363 D CB 1.944 42.739 40.800 -0.008 0.000 1.186 363 D HN 0.605 nan 8.370 nan 0.000 0.431 364 V N -0.625 119.209 119.914 -0.133 0.000 2.649 364 V HA 0.340 4.441 4.120 -0.031 0.000 0.292 364 V C 0.131 176.172 176.094 -0.088 0.000 1.055 364 V CA -0.495 61.671 62.300 -0.222 0.000 1.023 364 V CB 1.546 33.046 31.823 -0.538 0.000 0.992 364 V HN 0.505 nan 8.190 nan 0.000 0.480 368 K N 1.588 122.087 120.400 0.164 0.000 2.283 368 K HA 0.040 4.341 4.320 -0.031 0.000 0.202 368 K C 2.009 178.827 176.600 0.363 0.000 1.048 368 K CA 0.610 57.078 56.287 0.301 0.000 0.948 368 K CB 0.478 33.201 32.500 0.372 0.000 0.742 368 K HN -0.019 nan 8.250 nan 0.000 0.458 369 V N 2.081 122.142 119.914 0.245 0.000 2.244 369 V HA -0.282 3.820 4.120 -0.031 0.000 0.244 369 V C 1.664 177.834 176.094 0.126 0.000 1.042 369 V CA 1.901 64.297 62.300 0.159 0.000 1.006 369 V CB -0.559 31.341 31.823 0.128 0.000 0.641 369 V HN 0.413 nan 8.190 nan 0.000 0.446 370 N N -0.479 118.295 118.700 0.123 0.000 2.166 370 N HA -0.207 4.515 4.740 -0.031 0.000 0.186 370 N C 1.867 177.428 175.510 0.085 0.000 1.019 370 N CA 1.369 54.474 53.050 0.091 0.000 0.856 370 N CB -0.260 38.279 38.487 0.087 0.000 0.993 370 N HN 0.466 nan 8.380 nan 0.000 0.426 371 F N 0.920 120.833 119.950 -0.062 0.000 2.161 371 F HA -0.171 4.336 4.527 -0.034 0.000 0.300 371 F C 1.133 176.766 175.800 -0.278 0.000 1.089 371 F CA 1.315 59.195 58.000 -0.199 0.000 1.282 371 F CB -0.171 38.645 39.000 -0.307 0.000 1.010 371 F HN 0.039 nan 8.300 nan 0.000 0.485 372 Y N -0.357 119.861 120.300 -0.137 0.000 2.458 372 Y HA 0.214 4.748 4.550 -0.026 0.000 0.256 372 Y C 0.911 176.707 175.900 -0.173 0.000 1.159 372 Y CA -0.126 57.825 58.100 -0.248 0.000 1.261 372 Y CB -0.726 37.630 38.460 -0.173 0.000 1.119 372 Y HN -0.297 nan 8.280 nan 0.000 0.524 373 T N 3.122 117.677 114.554 0.002 0.000 2.761 373 T HA 0.030 4.361 4.350 -0.031 0.000 0.287 373 T C 0.765 175.452 174.700 -0.022 0.000 0.931 373 T CA -0.231 61.867 62.100 -0.003 0.000 1.164 373 T CB 0.100 68.975 68.868 0.012 0.000 0.876 373 T HN 0.279 nan 8.240 nan 0.000 0.534 374 R N 0.000 120.493 120.500 -0.012 0.000 2.786 374 R HA 0.000 4.321 4.340 -0.031 0.000 0.208 374 R CA 0.000 56.090 56.100 -0.017 0.000 0.921 374 R CB 0.000 30.294 30.300 -0.009 0.000 0.687 374 R HN 0.000 nan 8.270 nan 0.000 0.535