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 2z67_1_B DATA FIRST_RESID 2 DATA SEQUENCE LDFNIEGLIP KNXEKRGELV LNEYLKEIED VFNHRKIPEN GIDDEKIKLF DATA SEQUENCE LKFLSXXDTD KDPKSVRIGE REARTYSKIH EELSSGFCHG IGRSGNLVDP DATA SEQUENCE QPKASGASIX YALTNKILES FFKQLGLNVH AIATPISTGX SISLCLSAAR DATA SEQUENCE KKYGSNVVIY PYASHKSPIK AVSFVGXNXR LVETVLDGDR VYVPVEDIEN DATA SEQUENCE AIKKEIELGN RPCVLSTLTF FPPRNSDDIV EIAKICENYD IPHIINGAYA DATA SEQUENCE IQNNYYLEKL KKAFKYRVDA VVSSSDKNLL TPIGGGLVYS TDAEFIKEIS DATA SEQUENCE LSYPGRASAT PVVNTLVSLL SXGSKNYLEL VKNQKNSKKL LDELLNDLSK DATA SEQUENCE KTGGKFLDVE SPIASCISVN SDPVEIAAKL YNLRVTGPRG IKKTDHFGNC DATA SEQUENCE YLGTYTHDYI VXNAAIGVRT EDIVNSVSKL EKI 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 2 L HA 0.000 nan 4.340 nan 0.000 0.249 2 L C 0.000 176.926 176.870 0.094 0.000 1.165 2 L CA 0.000 54.912 54.840 0.119 0.000 0.813 2 L CB 0.000 42.203 42.059 0.241 0.000 0.961 3 D N 5.212 125.665 120.400 0.089 0.000 2.620 3 D HA 0.532 5.172 4.640 -0.000 0.000 0.252 3 D C -1.576 174.766 176.300 0.070 0.000 1.207 3 D CA -0.069 53.908 54.000 -0.038 0.000 0.884 3 D CB 1.590 42.361 40.800 -0.048 0.000 1.262 3 D HN 0.248 nan 8.370 nan 0.000 0.552 4 F N 1.075 121.024 119.950 -0.000 0.000 2.601 4 F HA 0.427 4.954 4.527 -0.000 0.000 0.309 4 F C -0.340 175.460 175.800 0.001 0.000 1.089 4 F CA -1.413 56.586 58.000 -0.001 0.000 0.940 4 F CB 0.619 39.621 39.000 0.004 0.000 1.273 4 F HN 0.078 nan 8.300 nan 0.000 0.450 5 N N 1.782 120.563 118.700 0.134 0.000 2.411 5 N HA 0.160 4.900 4.740 -0.000 0.000 0.261 5 N C -0.132 175.436 175.510 0.097 0.000 1.248 5 N CA 0.297 53.381 53.050 0.058 0.000 0.885 5 N CB 0.366 38.891 38.487 0.062 0.000 1.062 5 N HN 0.717 nan 8.380 nan 0.000 0.471 6 I N 1.677 122.250 120.570 0.005 0.000 4.390 6 I HA 0.136 4.306 4.170 -0.000 0.000 0.334 6 I C -0.030 176.092 176.117 0.009 0.000 1.379 6 I CA 0.011 61.329 61.300 0.030 0.000 1.197 6 I CB -0.602 37.374 38.000 -0.039 0.000 1.396 6 I HN 0.617 nan 8.210 nan 0.000 0.511 7 E N 0.797 120.997 120.200 -0.001 0.000 2.343 7 E HA 0.459 4.809 4.350 -0.000 0.000 0.269 7 E C 0.894 177.498 176.600 0.007 0.000 1.047 7 E CA 0.380 56.779 56.400 -0.003 0.000 0.874 7 E CB 0.773 30.467 29.700 -0.011 0.000 1.033 7 E HN 0.304 nan 8.360 nan 0.000 0.409 8 G N 1.876 110.679 108.800 0.004 0.000 2.149 8 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.235 8 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.235 8 G C 0.331 175.237 174.900 0.010 0.000 1.018 8 G CA 0.275 45.379 45.100 0.006 0.000 0.728 8 G HN 0.475 nan 8.290 nan 0.000 0.508 9 L N -1.650 119.579 121.223 0.011 0.000 2.860 9 L HA 0.570 4.910 4.340 -0.000 0.000 0.251 9 L C 0.835 177.712 176.870 0.012 0.000 1.041 9 L CA 0.000 54.849 54.840 0.014 0.000 0.985 9 L CB 0.637 42.710 42.059 0.023 0.000 1.656 9 L HN 0.311 nan 8.230 nan 0.000 0.526 10 I N 1.548 122.125 120.570 0.010 0.000 2.647 10 I HA 0.458 4.628 4.170 -0.000 0.000 0.295 10 I C -2.287 173.832 176.117 0.003 0.000 1.078 10 I CA -2.110 59.195 61.300 0.008 0.000 1.048 10 I CB 2.801 40.808 38.000 0.011 0.000 1.239 10 I HN -0.185 nan 8.210 nan 0.000 0.421 11 P HA 0.009 nan 4.420 nan 0.000 0.269 11 P C -0.005 177.293 177.300 -0.002 0.000 1.217 11 P CA -0.107 62.993 63.100 0.001 0.000 0.783 11 P CB 0.726 32.427 31.700 0.002 0.000 0.898 12 K N 1.970 122.367 120.400 -0.004 0.000 2.044 12 K HA -0.188 4.131 4.320 -0.000 0.000 0.210 12 K C 1.171 177.768 176.600 -0.006 0.000 1.049 12 K CA 1.216 57.499 56.287 -0.007 0.000 0.927 12 K CB -0.253 32.243 32.500 -0.006 0.000 0.713 12 K HN 0.619 nan 8.250 nan 0.000 0.443 16 K N 1.735 122.125 120.400 -0.016 0.000 2.020 16 K HA -0.091 4.229 4.320 -0.000 0.000 0.212 16 K C 2.041 178.637 176.600 -0.006 0.000 1.050 16 K CA 1.373 57.652 56.287 -0.014 0.000 0.929 16 K CB -0.311 32.184 32.500 -0.009 0.000 0.714 16 K HN 0.032 nan 8.250 nan 0.000 0.443 17 R N -0.004 120.496 120.500 0.001 0.000 2.081 17 R HA -0.117 4.223 4.340 -0.000 0.000 0.235 17 R C 2.331 178.638 176.300 0.012 0.000 1.131 17 R CA 1.573 57.678 56.100 0.009 0.000 0.960 17 R CB -0.570 29.736 30.300 0.010 0.000 0.856 17 R HN 0.343 nan 8.270 nan 0.000 0.436 18 G N 0.459 109.264 108.800 0.008 0.000 2.476 18 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.218 18 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.218 18 G C 1.153 176.061 174.900 0.014 0.000 1.164 18 G CA 1.155 46.263 45.100 0.013 0.000 0.768 18 G HN 0.338 nan 8.290 nan 0.000 0.560 19 E N 0.062 120.259 120.200 -0.006 0.000 2.047 19 E HA 0.038 4.388 4.350 -0.000 0.000 0.191 19 E C 2.638 179.251 176.600 0.022 0.000 0.987 19 E CA 0.340 56.734 56.400 -0.009 0.000 0.799 19 E CB -0.370 29.307 29.700 -0.037 0.000 0.752 19 E HN 0.406 nan 8.360 nan 0.000 0.449 20 L N -0.005 121.230 121.223 0.021 0.000 2.051 20 L HA -0.258 4.082 4.340 -0.000 0.000 0.214 20 L C 2.252 179.156 176.870 0.055 0.000 1.076 20 L CA 0.988 55.848 54.840 0.034 0.000 0.758 20 L CB -0.540 41.535 42.059 0.027 0.000 0.890 20 L HN 0.113 nan 8.230 nan 0.000 0.433 21 V N -0.391 119.556 119.914 0.056 0.000 2.295 21 V HA -0.293 3.827 4.120 -0.000 0.000 0.246 21 V C 2.321 178.485 176.094 0.117 0.000 1.049 21 V CA 1.718 64.064 62.300 0.077 0.000 1.024 21 V CB -0.534 31.321 31.823 0.054 0.000 0.648 21 V HN 0.349 nan 8.190 nan 0.000 0.447 22 L N 1.184 122.467 121.223 0.100 0.000 2.042 22 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 22 L C 2.176 179.157 176.870 0.185 0.000 1.076 22 L CA 1.985 56.910 54.840 0.140 0.000 0.749 22 L CB -1.144 40.989 42.059 0.124 0.000 0.893 22 L HN 0.338 nan 8.230 nan 0.000 0.432 23 N N -0.214 118.564 118.700 0.130 0.000 2.106 23 N HA -0.201 4.539 4.740 -0.000 0.000 0.188 23 N C 1.825 177.414 175.510 0.132 0.000 1.029 23 N CA 1.385 54.508 53.050 0.121 0.000 0.848 23 N CB -0.299 38.234 38.487 0.075 0.000 1.007 23 N HN 0.419 nan 8.380 nan 0.000 0.423 24 E N 0.715 120.988 120.200 0.121 0.000 2.058 24 E HA -0.192 4.158 4.350 -0.000 0.000 0.194 24 E C 1.897 178.575 176.600 0.130 0.000 0.997 24 E CA 0.994 57.458 56.400 0.106 0.000 0.801 24 E CB -0.523 29.233 29.700 0.093 0.000 0.746 24 E HN 0.446 nan 8.360 nan 0.000 0.450 25 Y N 0.280 120.615 120.300 0.058 0.000 2.207 25 Y HA -0.161 4.389 4.550 -0.000 0.000 0.287 25 Y C 1.648 177.592 175.900 0.074 0.000 1.156 25 Y CA 1.873 60.009 58.100 0.060 0.000 1.182 25 Y CB 0.013 38.512 38.460 0.066 0.000 0.979 25 Y HN 0.080 nan 8.280 nan 0.000 0.521 26 L N -0.165 121.187 121.223 0.215 0.000 2.509 26 L HA -0.001 4.339 4.340 -0.000 0.000 0.222 26 L C 2.308 179.239 176.870 0.101 0.000 1.123 26 L CA 0.446 55.392 54.840 0.177 0.000 0.856 26 L CB -0.423 41.815 42.059 0.299 0.000 0.985 26 L HN 0.045 nan 8.230 nan 0.000 0.456 27 K N 1.222 121.663 120.400 0.069 0.000 2.089 27 K HA -0.271 4.049 4.320 -0.000 0.000 0.210 27 K C 1.829 178.438 176.600 0.016 0.000 1.048 27 K CA 1.911 58.227 56.287 0.048 0.000 0.926 27 K CB 0.020 32.543 32.500 0.038 0.000 0.714 27 K HN 0.376 nan 8.250 nan 0.000 0.448 28 E N 0.136 120.316 120.200 -0.033 0.000 2.110 28 E HA -0.189 4.160 4.350 -0.000 0.000 0.193 28 E C 2.081 178.627 176.600 -0.090 0.000 0.988 28 E CA 1.409 57.767 56.400 -0.070 0.000 0.804 28 E CB -0.081 29.547 29.700 -0.120 0.000 0.745 28 E HN 0.412 nan 8.360 nan 0.000 0.458 29 I N 0.822 121.364 120.570 -0.046 0.000 2.286 29 I HA -0.228 3.942 4.170 -0.000 0.000 0.245 29 I C 2.626 178.792 176.117 0.082 0.000 1.104 29 I CA 0.968 62.256 61.300 -0.020 0.000 1.397 29 I CB -0.150 37.962 38.000 0.186 0.000 1.072 29 I HN 0.106 nan 8.210 nan 0.000 0.417 30 E N 1.140 121.448 120.200 0.179 0.000 2.118 30 E HA -0.287 4.063 4.350 -0.000 0.000 0.195 30 E C 1.525 178.172 176.600 0.079 0.000 0.992 30 E CA 1.752 58.285 56.400 0.222 0.000 0.804 30 E CB 0.073 29.861 29.700 0.147 0.000 0.741 30 E HN 0.388 nan 8.360 nan 0.000 0.458 31 D N -0.277 120.105 120.400 -0.030 0.000 2.178 31 D HA -0.121 4.519 4.640 -0.000 0.000 0.202 31 D C 1.942 178.156 176.300 -0.143 0.000 0.974 31 D CA 0.777 54.683 54.000 -0.156 0.000 0.841 31 D CB 0.006 40.796 40.800 -0.017 0.000 0.953 31 D HN 0.098 nan 8.370 nan 0.000 0.478 32 V N 0.218 120.050 119.914 -0.136 0.000 2.307 32 V HA -0.220 3.900 4.120 -0.000 0.000 0.245 32 V C 2.099 178.151 176.094 -0.070 0.000 1.045 32 V CA 1.345 63.525 62.300 -0.199 0.000 1.024 32 V CB -0.656 30.852 31.823 -0.525 0.000 0.651 32 V HN 0.170 nan 8.190 nan 0.000 0.449 33 F N 0.531 120.514 119.950 0.054 0.000 2.134 33 F HA -0.173 4.354 4.527 -0.000 0.000 0.299 33 F C 2.528 178.331 175.800 0.004 0.000 1.097 33 F CA 1.514 59.566 58.000 0.087 0.000 1.264 33 F CB -0.336 38.735 39.000 0.118 0.000 1.001 33 F HN 0.218 nan 8.300 nan 0.000 0.479 34 N N -0.829 117.924 118.700 0.088 0.000 2.135 34 N HA -0.127 4.613 4.740 -0.000 0.000 0.186 34 N C 1.608 177.090 175.510 -0.047 0.000 1.027 34 N CA 1.282 54.287 53.050 -0.074 0.000 0.849 34 N CB -0.501 37.809 38.487 -0.294 0.000 1.002 34 N HN 0.334 nan 8.380 nan 0.000 0.425 35 H N 0.416 119.526 119.070 0.068 0.000 2.451 35 H HA 0.273 4.829 4.556 -0.000 0.000 0.294 35 H C 0.273 175.621 175.328 0.033 0.000 1.028 35 H CA 0.261 56.332 56.048 0.038 0.000 1.349 35 H CB 0.328 30.099 29.762 0.015 0.000 1.444 35 H HN 0.090 nan 8.280 nan 0.000 0.538 36 R N 0.862 121.443 120.500 0.136 0.000 3.261 36 R HA -0.136 4.204 4.340 -0.000 0.000 0.257 36 R C -0.559 175.778 176.300 0.062 0.000 1.014 36 R CA 0.499 56.647 56.100 0.081 0.000 0.681 36 R CB -1.510 28.848 30.300 0.097 0.000 1.155 36 R HN 0.345 nan 8.270 nan 0.000 0.424 37 K N 0.094 120.524 120.400 0.050 0.000 2.439 37 K HA 0.456 4.776 4.320 -0.000 0.000 0.260 37 K C -0.240 176.358 176.600 -0.003 0.000 1.032 37 K CA -1.130 55.174 56.287 0.027 0.000 0.882 37 K CB 1.941 34.458 32.500 0.027 0.000 1.420 37 K HN 0.054 nan 8.250 nan 0.000 0.455 38 I N 4.441 125.011 120.570 0.001 0.000 2.533 38 I HA 0.088 4.258 4.170 -0.000 0.000 0.284 38 I C -1.930 174.177 176.117 -0.016 0.000 1.109 38 I CA -1.729 59.563 61.300 -0.012 0.000 1.412 38 I CB 0.852 38.877 38.000 0.041 0.000 1.396 38 I HN 0.329 nan 8.210 nan 0.000 0.543 39 P HA 0.026 nan 4.420 nan 0.000 0.267 39 P C -0.139 177.152 177.300 -0.015 0.000 1.200 39 P CA 0.063 63.143 63.100 -0.033 0.000 0.772 39 P CB 0.680 32.340 31.700 -0.067 0.000 0.855 40 E N 1.090 121.284 120.200 -0.010 0.000 2.051 40 E HA -0.109 4.241 4.350 -0.000 0.000 0.192 40 E C 0.589 177.189 176.600 0.000 0.000 0.991 40 E CA 1.065 57.463 56.400 -0.003 0.000 0.799 40 E CB -0.075 29.621 29.700 -0.007 0.000 0.748 40 E HN 0.496 nan 8.360 nan 0.000 0.449 41 N N 0.137 118.831 118.700 -0.011 0.000 2.443 41 N HA 0.256 4.996 4.740 -0.000 0.000 0.293 41 N C -0.232 175.262 175.510 -0.028 0.000 1.159 41 N CA -0.251 52.791 53.050 -0.013 0.000 0.904 41 N CB 1.630 40.107 38.487 -0.017 0.000 1.214 41 N HN 0.058 nan 8.380 nan 0.000 0.513 42 G N 0.406 109.191 108.800 -0.024 0.000 2.483 42 G HA2 0.392 4.352 3.960 -0.000 0.000 0.248 42 G HA3 0.392 4.352 3.960 -0.000 0.000 0.248 42 G C 0.062 174.926 174.900 -0.061 0.000 1.248 42 G CA -0.324 44.753 45.100 -0.038 0.000 0.838 42 G HN 0.476 nan 8.290 nan 0.000 0.566 43 I N 2.006 122.524 120.570 -0.085 0.000 2.353 43 I HA 0.165 4.335 4.170 -0.000 0.000 0.293 43 I C 0.347 176.412 176.117 -0.087 0.000 0.992 43 I CA -0.862 60.372 61.300 -0.109 0.000 1.268 43 I CB 1.474 39.379 38.000 -0.157 0.000 1.387 43 I HN 0.597 nan 8.210 nan 0.000 0.478 44 D N 4.832 125.182 120.400 -0.083 0.000 2.368 44 D HA -0.042 4.598 4.640 -0.000 0.000 0.240 44 D C 0.230 176.505 176.300 -0.043 0.000 1.169 44 D CA -0.335 53.633 54.000 -0.052 0.000 0.906 44 D CB 1.159 41.936 40.800 -0.038 0.000 1.187 44 D HN 0.433 nan 8.370 nan 0.000 0.435 45 D N 0.892 121.279 120.400 -0.021 0.000 2.133 45 D HA -0.206 4.434 4.640 -0.000 0.000 0.192 45 D C 1.669 177.967 176.300 -0.003 0.000 1.001 45 D CA 1.342 55.336 54.000 -0.010 0.000 0.844 45 D CB 0.002 40.800 40.800 -0.003 0.000 0.944 45 D HN 0.493 nan 8.370 nan 0.000 0.447 46 E N 0.697 120.904 120.200 0.012 0.000 2.077 46 E HA -0.136 4.214 4.350 -0.000 0.000 0.193 46 E C 2.058 178.674 176.600 0.026 0.000 0.989 46 E CA 0.733 57.155 56.400 0.036 0.000 0.800 46 E CB -0.177 29.580 29.700 0.094 0.000 0.746 46 E HN 0.374 nan 8.360 nan 0.000 0.452 47 K N 0.200 120.590 120.400 -0.017 0.000 2.097 47 K HA -0.048 4.272 4.320 -0.000 0.000 0.206 47 K C 2.280 178.861 176.600 -0.033 0.000 1.049 47 K CA 0.807 57.053 56.287 -0.069 0.000 0.933 47 K CB -0.104 32.284 32.500 -0.187 0.000 0.717 47 K HN 0.090 nan 8.250 nan 0.000 0.442 48 I N 0.886 121.443 120.570 -0.020 0.000 2.286 48 I HA -0.262 3.908 4.170 -0.000 0.000 0.245 48 I C 2.156 178.329 176.117 0.094 0.000 1.104 48 I CA 1.211 62.541 61.300 0.050 0.000 1.397 48 I CB -0.093 37.916 38.000 0.015 0.000 1.072 48 I HN 0.072 nan 8.210 nan 0.000 0.417 49 K N 0.330 120.741 120.400 0.018 0.000 2.063 49 K HA -0.217 4.103 4.320 -0.000 0.000 0.208 49 K C 2.087 178.637 176.600 -0.084 0.000 1.048 49 K CA 1.348 57.623 56.287 -0.020 0.000 0.928 49 K CB -0.272 32.211 32.500 -0.030 0.000 0.713 49 K HN 0.095 nan 8.250 nan 0.000 0.442 50 L N 0.749 121.899 121.223 -0.121 0.000 2.012 50 L HA -0.174 4.166 4.340 -0.000 0.000 0.210 50 L C 2.023 178.556 176.870 -0.562 0.000 1.073 50 L CA 1.576 56.213 54.840 -0.338 0.000 0.748 50 L CB -0.688 41.214 42.059 -0.261 0.000 0.891 50 L HN 0.137 nan 8.230 nan 0.000 0.431 51 F N -0.384 119.338 119.950 -0.381 0.000 2.126 51 F HA -0.228 4.299 4.527 -0.000 0.000 0.299 51 F C 2.000 177.793 175.800 -0.013 0.000 1.096 51 F CA 1.846 59.730 58.000 -0.194 0.000 1.255 51 F CB -0.383 38.529 39.000 -0.147 0.000 0.997 51 F HN 0.074 nan 8.300 nan 0.000 0.479 52 L N -0.013 121.110 121.223 -0.166 0.000 2.156 52 L HA -0.130 4.210 4.340 -0.000 0.000 0.208 52 L C 2.404 179.188 176.870 -0.143 0.000 1.095 52 L CA 1.258 56.003 54.840 -0.159 0.000 0.770 52 L CB -0.717 41.331 42.059 -0.019 0.000 0.914 52 L HN 0.089 nan 8.230 nan 0.000 0.439 53 K N 0.864 121.173 120.400 -0.152 0.000 2.057 53 K HA -0.147 4.173 4.320 -0.000 0.000 0.206 53 K C 1.936 178.590 176.600 0.089 0.000 1.050 53 K CA 1.669 57.902 56.287 -0.089 0.000 0.935 53 K CB -0.516 31.917 32.500 -0.110 0.000 0.715 53 K HN 0.159 nan 8.250 nan 0.000 0.439 54 F N 0.422 120.376 119.950 0.007 0.000 2.126 54 F HA -0.224 4.303 4.527 -0.000 0.000 0.299 54 F C 1.930 177.753 175.800 0.037 0.000 1.096 54 F CA 0.633 58.660 58.000 0.046 0.000 1.255 54 F CB -0.098 38.988 39.000 0.143 0.000 0.997 54 F HN -0.011 nan 8.300 nan 0.000 0.479 55 L N -0.410 120.946 121.223 0.221 0.000 2.095 55 L HA -0.082 4.258 4.340 -0.000 0.000 0.204 55 L C 1.758 178.798 176.870 0.282 0.000 1.080 55 L CA 0.345 55.311 54.840 0.210 0.000 0.759 55 L CB -0.700 41.454 42.059 0.159 0.000 0.914 55 L HN 0.100 nan 8.230 nan 0.000 0.439 60 T N 0.364 114.994 114.554 0.126 0.000 2.714 60 T HA -0.212 4.138 4.350 -0.000 0.000 0.268 60 T C 1.305 176.077 174.700 0.119 0.000 1.036 60 T CA 2.162 64.325 62.100 0.105 0.000 1.148 60 T CB -0.104 68.812 68.868 0.079 0.000 0.856 60 T HN 0.567 nan 8.240 nan 0.000 0.462 61 D N -0.200 120.296 120.400 0.162 0.000 2.350 61 D HA -0.065 4.575 4.640 -0.000 0.000 0.216 61 D C 1.645 177.972 176.300 0.045 0.000 0.968 61 D CA 0.699 54.750 54.000 0.085 0.000 0.894 61 D CB -0.136 40.674 40.800 0.017 0.000 0.909 61 D HN 0.243 nan 8.370 nan 0.000 0.520 62 K N 0.414 120.845 120.400 0.052 0.000 2.393 62 K HA 0.046 4.366 4.320 -0.000 0.000 0.193 62 K C 0.159 176.775 176.600 0.026 0.000 1.026 62 K CA -0.162 56.143 56.287 0.030 0.000 1.064 62 K CB 0.045 32.564 32.500 0.032 0.000 0.833 62 K HN 0.031 nan 8.250 nan 0.000 0.521 63 D N 1.451 121.871 120.400 0.033 0.000 2.363 63 D HA -0.010 4.630 4.640 -0.000 0.000 0.263 63 D C -1.536 174.775 176.300 0.017 0.000 1.258 63 D CA -1.699 52.315 54.000 0.024 0.000 0.907 63 D CB 1.188 42.004 40.800 0.028 0.000 1.107 63 D HN 0.017 nan 8.370 nan 0.000 0.495 64 P HA -0.101 nan 4.420 nan 0.000 0.222 64 P C 0.534 177.838 177.300 0.007 0.000 1.147 64 P CA 0.747 63.850 63.100 0.006 0.000 0.790 64 P CB 0.438 32.140 31.700 0.002 0.000 0.780 65 K N 0.341 120.746 120.400 0.009 0.000 2.397 65 K HA 0.139 4.459 4.320 -0.000 0.000 0.202 65 K C 1.025 177.632 176.600 0.011 0.000 1.022 65 K CA 0.063 56.355 56.287 0.008 0.000 1.141 65 K CB 0.267 32.771 32.500 0.006 0.000 0.857 65 K HN 0.221 nan 8.250 nan 0.000 0.514 66 S N 0.143 115.853 115.700 0.016 0.000 2.589 66 S HA 0.272 4.742 4.470 -0.000 0.000 0.265 66 S C 0.342 174.954 174.600 0.019 0.000 1.342 66 S CA -0.549 57.663 58.200 0.021 0.000 1.005 66 S CB 1.281 64.500 63.200 0.031 0.000 0.909 66 S HN -0.084 nan 8.310 nan 0.000 0.555 67 V N 2.055 121.981 119.914 0.021 0.000 2.509 67 V HA 0.425 4.545 4.120 -0.000 0.000 0.289 67 V C -0.464 175.644 176.094 0.024 0.000 1.026 67 V CA -0.638 61.673 62.300 0.019 0.000 0.872 67 V CB 1.209 33.041 31.823 0.014 0.000 1.017 67 V HN 0.899 nan 8.190 nan 0.000 0.436 68 R N 5.085 125.602 120.500 0.028 0.000 2.275 68 R HA 0.547 4.887 4.340 -0.000 0.000 0.326 68 R C -0.594 175.724 176.300 0.030 0.000 0.973 68 R CA -0.580 55.541 56.100 0.035 0.000 0.854 68 R CB 1.352 31.680 30.300 0.047 0.000 1.156 68 R HN 0.733 nan 8.270 nan 0.000 0.487 69 I N -0.924 119.662 120.570 0.027 0.000 3.158 69 I HA 0.417 4.587 4.170 -0.000 0.000 0.344 69 I C 0.296 176.427 176.117 0.023 0.000 1.459 69 I CA -0.820 60.494 61.300 0.022 0.000 0.956 69 I CB 1.256 39.266 38.000 0.016 0.000 1.793 69 I HN 0.432 nan 8.210 nan 0.000 0.522 70 G N 0.838 109.656 108.800 0.031 0.000 2.568 70 G HA2 0.568 4.528 3.960 -0.000 0.000 0.313 70 G HA3 0.568 4.528 3.960 -0.000 0.000 0.313 70 G C 0.322 175.242 174.900 0.032 0.000 1.227 70 G CA -0.370 44.749 45.100 0.031 0.000 0.979 70 G HN 0.444 nan 8.290 nan 0.000 0.486 71 E N -0.922 119.295 120.200 0.029 0.000 2.216 71 E HA -0.001 4.349 4.350 -0.000 0.000 0.192 71 E C 1.139 177.758 176.600 0.032 0.000 0.988 71 E CA 0.294 56.709 56.400 0.026 0.000 0.834 71 E CB 0.324 30.037 29.700 0.021 0.000 0.772 71 E HN 0.261 nan 8.360 nan 0.000 0.479 72 R N 0.990 121.520 120.500 0.048 0.000 2.415 72 R HA 0.117 4.457 4.340 -0.000 0.000 0.292 72 R C -0.555 175.817 176.300 0.120 0.000 1.295 72 R CA -0.118 56.022 56.100 0.067 0.000 1.137 72 R CB 0.717 31.061 30.300 0.073 0.000 1.135 72 R HN -0.100 nan 8.270 nan 0.000 0.560 73 E N 2.904 123.157 120.200 0.089 0.000 2.651 73 E HA 0.168 4.518 4.350 -0.000 0.000 0.208 73 E C 0.066 176.647 176.600 -0.032 0.000 0.997 73 E CA 0.327 56.806 56.400 0.131 0.000 1.020 73 E CB 1.359 31.110 29.700 0.085 0.000 1.052 73 E HN 0.715 nan 8.360 nan 0.000 0.465 74 A N 1.643 124.372 122.820 -0.151 0.000 2.799 74 A HA -0.300 4.020 4.320 -0.000 0.000 0.287 74 A C 0.325 177.799 177.584 -0.183 0.000 1.484 74 A CA 0.926 52.775 52.037 -0.313 0.000 0.813 74 A CB -1.867 16.627 19.000 -0.842 0.000 1.009 74 A HN 0.297 nan 8.150 nan 0.000 0.545 75 R N 0.753 121.199 120.500 -0.090 0.000 2.421 75 R HA 0.360 4.700 4.340 -0.000 0.000 0.305 75 R C 0.753 177.016 176.300 -0.060 0.000 1.039 75 R CA 0.864 56.936 56.100 -0.046 0.000 1.003 75 R CB 0.247 30.545 30.300 -0.002 0.000 0.959 75 R HN 0.655 nan 8.270 nan 0.000 0.427 76 T N -0.932 113.593 114.554 -0.050 0.000 2.918 76 T HA 0.186 4.536 4.350 -0.000 0.000 0.286 76 T C 0.220 174.991 174.700 0.118 0.000 1.026 76 T CA -0.768 61.290 62.100 -0.070 0.000 1.031 76 T CB 1.309 70.129 68.868 -0.081 0.000 1.046 76 T HN 0.540 nan 8.240 nan 0.000 0.479 77 Y N 1.735 122.109 120.300 0.123 0.000 2.301 77 Y HA 0.345 4.895 4.550 -0.000 0.000 0.295 77 Y C 1.546 177.564 175.900 0.197 0.000 1.126 77 Y CA 0.868 59.076 58.100 0.179 0.000 1.154 77 Y CB 0.194 38.758 38.460 0.173 0.000 1.075 77 Y HN 0.778 nan 8.280 nan 0.000 0.534 78 S N -0.049 115.902 115.700 0.418 0.000 2.593 78 S HA 0.245 4.715 4.470 -0.000 0.000 0.297 78 S C 0.820 175.414 174.600 -0.010 0.000 1.112 78 S CA -0.812 57.397 58.200 0.015 0.000 1.043 78 S CB 1.220 64.317 63.200 -0.171 0.000 1.054 78 S HN 0.177 nan 8.310 nan 0.000 0.516 79 K N 2.851 123.219 120.400 -0.054 0.000 2.152 79 K HA -0.034 4.286 4.320 -0.000 0.000 0.206 79 K C 1.750 178.322 176.600 -0.047 0.000 1.048 79 K CA 1.305 57.568 56.287 -0.040 0.000 0.933 79 K CB -0.548 31.921 32.500 -0.052 0.000 0.721 79 K HN 0.713 nan 8.250 nan 0.000 0.447 80 I N 0.656 121.163 120.570 -0.105 0.000 2.335 80 I HA -0.289 3.881 4.170 -0.000 0.000 0.251 80 I C 2.276 178.352 176.117 -0.068 0.000 1.129 80 I CA 1.091 62.325 61.300 -0.111 0.000 1.402 80 I CB -0.449 37.453 38.000 -0.165 0.000 1.069 80 I HN 0.226 nan 8.210 nan 0.000 0.424 81 H N 1.063 120.132 119.070 -0.003 0.000 2.319 81 H HA -0.150 4.406 4.556 -0.000 0.000 0.299 81 H C 2.205 177.518 175.328 -0.026 0.000 1.092 81 H CA 1.316 57.362 56.048 -0.003 0.000 1.302 81 H CB -0.277 29.489 29.762 0.007 0.000 1.373 81 H HN 0.369 nan 8.280 nan 0.000 0.497 82 E N 1.047 121.300 120.200 0.088 0.000 2.058 82 E HA -0.161 4.189 4.350 -0.000 0.000 0.194 82 E C 2.145 178.721 176.600 -0.041 0.000 0.997 82 E CA 0.845 57.242 56.400 -0.004 0.000 0.801 82 E CB -0.146 29.538 29.700 -0.028 0.000 0.746 82 E HN 0.647 nan 8.360 nan 0.000 0.450 83 E N 0.730 120.910 120.200 -0.032 0.000 2.038 83 E HA -0.163 4.187 4.350 -0.000 0.000 0.195 83 E C 2.379 178.962 176.600 -0.027 0.000 1.000 83 E CA 0.939 57.314 56.400 -0.041 0.000 0.803 83 E CB -0.225 29.454 29.700 -0.035 0.000 0.750 83 E HN 0.213 nan 8.360 nan 0.000 0.448 84 L N 0.973 122.196 121.223 -0.001 0.000 2.141 84 L HA -0.110 4.230 4.340 -0.000 0.000 0.209 84 L C 2.553 179.439 176.870 0.027 0.000 1.094 84 L CA 1.221 56.071 54.840 0.018 0.000 0.763 84 L CB -0.433 41.648 42.059 0.037 0.000 0.908 84 L HN 0.186 nan 8.230 nan 0.000 0.437 85 S N -2.173 113.540 115.700 0.023 0.000 2.548 85 S HA -0.015 4.455 4.470 -0.000 0.000 0.215 85 S C 1.269 175.855 174.600 -0.022 0.000 0.976 85 S CA 0.377 58.601 58.200 0.040 0.000 0.908 85 S CB 0.386 63.614 63.200 0.048 0.000 0.781 85 S HN 0.363 nan 8.310 nan 0.000 0.519 86 S N -0.169 115.467 115.700 -0.107 0.000 3.382 86 S HA -0.137 4.333 4.470 -0.000 0.000 0.293 86 S C 1.193 175.443 174.600 -0.582 0.000 1.262 86 S CA 1.302 59.353 58.200 -0.250 0.000 0.969 86 S CB -1.768 61.341 63.200 -0.152 0.000 1.136 86 S HN 2.363 nan 8.310 nan 0.000 0.635 87 G N -0.718 107.820 108.800 -0.437 0.000 2.176 87 G HA2 -0.247 3.713 3.960 -0.000 0.000 0.232 87 G HA3 -0.247 3.713 3.960 -0.000 0.000 0.232 87 G C -0.010 174.624 174.900 -0.444 0.000 0.986 87 G CA 0.051 44.870 45.100 -0.468 0.000 0.643 87 G HN 0.955 nan 8.290 nan 0.000 0.522 88 F N 1.414 121.367 119.950 0.005 0.000 2.387 88 F HA 0.353 4.880 4.527 -0.000 0.000 0.332 88 F C 1.839 177.636 175.800 -0.004 0.000 1.174 88 F CA -0.891 57.115 58.000 0.011 0.000 1.257 88 F CB 0.232 39.236 39.000 0.006 0.000 1.569 88 F HN 0.096 nan 8.300 nan 0.000 0.554 89 C N -0.239 119.116 119.300 0.091 0.000 2.437 89 C HA -0.128 4.332 4.460 -0.000 0.000 0.283 89 C C 2.527 177.469 174.990 -0.081 0.000 1.424 89 C CA 0.655 59.654 59.018 -0.033 0.000 1.782 89 C CB -1.069 26.596 27.740 -0.125 0.000 1.833 89 C HN 0.685 nan 8.230 nan 0.000 0.532 90 H N 0.090 119.210 119.070 0.082 0.000 2.544 90 H HA 0.234 4.790 4.556 -0.000 0.000 0.269 90 H C 1.691 177.040 175.328 0.034 0.000 0.970 90 H CA 1.266 57.345 56.048 0.051 0.000 1.219 90 H CB -0.040 29.752 29.762 0.050 0.000 1.421 90 H HN 0.580 nan 8.280 nan 0.000 0.555 91 G N 1.260 110.148 108.800 0.147 0.000 2.512 91 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.240 91 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.240 91 G C -0.098 174.784 174.900 -0.030 0.000 1.246 91 G CA -0.061 45.069 45.100 0.050 0.000 0.919 91 G HN 0.385 nan 8.290 nan 0.000 0.577 92 I N -1.929 118.573 120.570 -0.113 0.000 2.647 92 I HA 0.753 4.923 4.170 -0.000 0.000 0.295 92 I C 0.865 176.926 176.117 -0.093 0.000 1.078 92 I CA -0.243 60.947 61.300 -0.184 0.000 1.048 92 I CB 1.456 39.158 38.000 -0.496 0.000 1.239 92 I HN 2.692 nan 8.210 nan 0.000 0.421 93 G N 4.679 113.476 108.800 -0.006 0.000 2.598 93 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.244 93 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.244 93 G C -0.473 174.442 174.900 0.024 0.000 1.302 93 G CA -0.188 44.936 45.100 0.039 0.000 0.903 93 G HN 0.976 nan 8.290 nan 0.000 0.575 94 R N -0.759 119.762 120.500 0.035 0.000 2.922 94 R HA 0.673 5.013 4.340 -0.000 0.000 0.256 94 R C 0.338 176.668 176.300 0.050 0.000 1.138 94 R CA -0.235 55.883 56.100 0.031 0.000 0.995 94 R CB 1.255 31.566 30.300 0.017 0.000 1.226 94 R HN 1.156 nan 8.270 nan 0.000 0.481 95 S N 0.147 115.874 115.700 0.045 0.000 2.571 95 S HA 0.221 4.691 4.470 -0.000 0.000 0.297 95 S C 1.089 175.719 174.600 0.050 0.000 1.234 95 S CA 0.318 58.549 58.200 0.053 0.000 1.120 95 S CB 0.211 63.431 63.200 0.033 0.000 0.923 95 S HN 0.989 nan 8.310 nan 0.000 0.504 96 G N 1.973 110.820 108.800 0.078 0.000 2.184 96 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.264 96 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.264 96 G C -0.028 174.909 174.900 0.062 0.000 0.975 96 G CA 0.184 45.324 45.100 0.066 0.000 0.642 96 G HN 0.965 nan 8.290 nan 0.000 0.536 97 N N -0.174 118.565 118.700 0.065 0.000 2.581 97 N HA 0.444 5.184 4.740 -0.000 0.000 0.279 97 N C 1.278 176.828 175.510 0.066 0.000 1.124 97 N CA -0.499 52.581 53.050 0.050 0.000 0.833 97 N CB 1.057 39.560 38.487 0.027 0.000 1.338 97 N HN 0.046 nan 8.380 nan 0.000 0.533 98 L N 1.683 122.955 121.223 0.082 0.000 2.027 98 L HA -0.037 4.303 4.340 -0.000 0.000 0.206 98 L C 1.886 178.898 176.870 0.236 0.000 1.074 98 L CA 1.051 55.963 54.840 0.119 0.000 0.745 98 L CB -0.055 42.075 42.059 0.119 0.000 0.898 98 L HN 0.320 nan 8.230 nan 0.000 0.433 99 V N -1.095 118.912 119.914 0.154 0.000 2.970 99 V HA -0.155 3.965 4.120 -0.000 0.000 0.260 99 V C 0.589 176.707 176.094 0.040 0.000 1.100 99 V CA 0.762 63.100 62.300 0.063 0.000 1.122 99 V CB -0.590 31.212 31.823 -0.035 0.000 0.721 99 V HN 0.335 nan 8.190 nan 0.000 0.483 100 D N 1.738 122.164 120.400 0.044 0.000 2.339 100 D HA 0.135 4.775 4.640 -0.000 0.000 0.256 100 D C -2.244 174.074 176.300 0.030 0.000 1.214 100 D CA -2.224 51.790 54.000 0.023 0.000 0.877 100 D CB 1.020 41.828 40.800 0.013 0.000 1.111 100 D HN 0.195 nan 8.370 nan 0.000 0.478 101 P HA -0.078 nan 4.420 nan 0.000 0.264 101 P C -0.333 176.965 177.300 -0.003 0.000 1.179 101 P CA -0.107 63.002 63.100 0.014 0.000 0.763 101 P CB 0.563 32.266 31.700 0.005 0.000 0.806 102 Q N 4.286 124.078 119.800 -0.014 0.000 2.349 102 Q HA 0.155 4.495 4.340 -0.000 0.000 0.254 102 Q C -1.308 174.650 176.000 -0.069 0.000 0.980 102 Q CA -2.104 53.670 55.803 -0.049 0.000 0.924 102 Q CB 1.073 29.771 28.738 -0.068 0.000 1.209 102 Q HN 0.369 nan 8.270 nan 0.000 0.445 103 P HA -0.134 nan 4.420 nan 0.000 0.226 103 P C 0.098 177.341 177.300 -0.095 0.000 1.146 103 P CA 1.148 64.211 63.100 -0.063 0.000 0.773 103 P CB 0.458 32.129 31.700 -0.048 0.000 0.772 104 K N -0.744 119.545 120.400 -0.185 0.000 2.367 104 K HA 0.319 4.639 4.320 -0.000 0.000 0.194 104 K C 0.750 177.207 176.600 -0.238 0.000 1.027 104 K CA 0.133 56.248 56.287 -0.287 0.000 1.075 104 K CB 0.621 32.746 32.500 -0.625 0.000 0.845 104 K HN -0.003 nan 8.250 nan 0.000 0.529 105 A N 0.780 123.520 122.820 -0.134 0.000 3.266 105 A HA 0.261 4.581 4.320 -0.000 0.000 0.310 105 A C 0.393 177.987 177.584 0.015 0.000 1.066 105 A CA -0.552 51.487 52.037 0.005 0.000 0.839 105 A CB 0.512 19.547 19.000 0.059 0.000 1.192 105 A HN 0.000 nan 8.150 nan 0.000 0.496 106 S N 0.406 116.119 115.700 0.022 0.000 2.368 106 S HA -0.112 4.358 4.470 -0.000 0.000 0.225 106 S C 2.147 176.768 174.600 0.035 0.000 1.030 106 S CA 2.012 60.223 58.200 0.019 0.000 0.999 106 S CB -0.062 63.148 63.200 0.016 0.000 0.844 106 S HN 0.956 nan 8.310 nan 0.000 0.459 107 G N 1.449 110.294 108.800 0.075 0.000 2.421 107 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.216 107 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.216 107 G C 1.586 176.495 174.900 0.015 0.000 1.171 107 G CA 0.873 46.041 45.100 0.114 0.000 0.775 107 G HN 0.578 nan 8.290 nan 0.000 0.543 108 A N 0.629 123.421 122.820 -0.047 0.000 1.933 108 A HA 0.012 4.332 4.320 -0.000 0.000 0.218 108 A C 2.677 180.114 177.584 -0.245 0.000 1.175 108 A CA 2.279 54.060 52.037 -0.426 0.000 0.628 108 A CB -0.514 18.356 19.000 -0.217 0.000 0.814 108 A HN 0.316 nan 8.150 nan 0.000 0.444 109 S N -0.530 115.128 115.700 -0.069 0.000 2.406 109 S HA 0.081 4.551 4.470 -0.000 0.000 0.228 109 S C 1.032 175.648 174.600 0.026 0.000 1.020 109 S CA 0.335 58.542 58.200 0.012 0.000 0.965 109 S CB -0.381 62.829 63.200 0.016 0.000 0.798 109 S HN 0.512 nan 8.310 nan 0.000 0.488 113 A N 1.466 124.246 122.820 -0.066 0.000 1.902 113 A HA -0.079 4.241 4.320 -0.000 0.000 0.217 113 A C 2.038 179.597 177.584 -0.042 0.000 1.181 113 A CA 1.996 53.961 52.037 -0.120 0.000 0.623 113 A CB -0.910 18.067 19.000 -0.038 0.000 0.818 113 A HN 0.454 nan 8.150 nan 0.000 0.443 114 L N -0.862 120.389 121.223 0.047 0.000 2.046 114 L HA -0.161 4.179 4.340 -0.000 0.000 0.208 114 L C 2.831 179.738 176.870 0.062 0.000 1.077 114 L CA 1.795 56.688 54.840 0.089 0.000 0.747 114 L CB -0.798 41.371 42.059 0.183 0.000 0.896 114 L HN 0.360 nan 8.230 nan 0.000 0.432 115 T N -0.404 114.196 114.554 0.077 0.000 2.720 115 T HA -0.165 4.184 4.350 -0.000 0.000 0.268 115 T C 1.688 176.404 174.700 0.026 0.000 1.037 115 T CA 1.484 63.628 62.100 0.073 0.000 1.144 115 T CB -0.233 68.728 68.868 0.155 0.000 0.864 115 T HN 0.304 nan 8.240 nan 0.000 0.444 116 N N 0.902 119.578 118.700 -0.041 0.000 2.188 116 N HA -0.005 4.735 4.740 -0.000 0.000 0.184 116 N C 1.871 177.385 175.510 0.007 0.000 1.018 116 N CA 0.896 53.916 53.050 -0.050 0.000 0.858 116 N CB -0.110 38.264 38.487 -0.188 0.000 0.989 116 N HN 0.451 nan 8.380 nan 0.000 0.426 117 K N 0.632 121.035 120.400 0.004 0.000 2.057 117 K HA 0.053 4.373 4.320 -0.000 0.000 0.206 117 K C 2.075 178.700 176.600 0.042 0.000 1.050 117 K CA 0.680 56.985 56.287 0.030 0.000 0.935 117 K CB -0.061 32.459 32.500 0.034 0.000 0.715 117 K HN 0.140 nan 8.250 nan 0.000 0.439 118 I N 1.057 121.645 120.570 0.030 0.000 2.315 118 I HA -0.258 3.912 4.170 -0.000 0.000 0.248 118 I C 2.304 178.441 176.117 0.032 0.000 1.117 118 I CA 0.611 61.921 61.300 0.017 0.000 1.404 118 I CB -0.148 37.840 38.000 -0.020 0.000 1.071 118 I HN 0.093 nan 8.210 nan 0.000 0.419 119 L N 0.902 122.146 121.223 0.036 0.000 2.093 119 L HA -0.185 4.155 4.340 -0.000 0.000 0.208 119 L C 2.296 179.297 176.870 0.217 0.000 1.085 119 L CA 1.880 56.756 54.840 0.060 0.000 0.755 119 L CB -0.581 41.523 42.059 0.073 0.000 0.904 119 L HN 0.196 nan 8.230 nan 0.000 0.435 120 E N -0.833 119.484 120.200 0.195 0.000 2.204 120 E HA -0.165 4.185 4.350 -0.000 0.000 0.194 120 E C 2.162 178.854 176.600 0.153 0.000 0.989 120 E CA 1.206 57.733 56.400 0.212 0.000 0.824 120 E CB -0.143 29.616 29.700 0.098 0.000 0.756 120 E HN 0.730 nan 8.360 nan 0.000 0.477 121 S N 0.530 116.290 115.700 0.099 0.000 2.414 121 S HA -0.130 4.340 4.470 -0.000 0.000 0.227 121 S C 1.879 176.500 174.600 0.036 0.000 1.022 121 S CA 0.206 58.437 58.200 0.051 0.000 0.958 121 S CB -0.417 62.803 63.200 0.033 0.000 0.797 121 S HN 0.305 nan 8.310 nan 0.000 0.493 122 F N 2.023 121.904 119.950 -0.115 0.000 2.095 122 F HA 0.003 4.530 4.527 -0.000 0.000 0.298 122 F C 1.741 177.404 175.800 -0.229 0.000 1.104 122 F CA 1.153 59.006 58.000 -0.245 0.000 1.232 122 F CB -0.719 38.034 39.000 -0.411 0.000 0.987 122 F HN 0.202 nan 8.300 nan 0.000 0.475 123 F N 0.727 120.563 119.950 -0.191 0.000 2.102 123 F HA -0.185 4.342 4.527 -0.000 0.000 0.298 123 F C 2.623 178.288 175.800 -0.226 0.000 1.105 123 F CA 1.854 59.693 58.000 -0.268 0.000 1.239 123 F CB -0.635 38.273 39.000 -0.153 0.000 0.991 123 F HN -0.097 nan 8.300 nan 0.000 0.474 124 K N 0.393 120.819 120.400 0.043 0.000 2.103 124 K HA -0.232 4.088 4.320 -0.000 0.000 0.207 124 K C 1.812 178.376 176.600 -0.060 0.000 1.048 124 K CA 1.537 57.815 56.287 -0.016 0.000 0.930 124 K CB -0.187 32.299 32.500 -0.022 0.000 0.716 124 K HN 0.324 nan 8.250 nan 0.000 0.444 125 Q N -0.183 119.547 119.800 -0.116 0.000 2.488 125 Q HA -0.001 4.339 4.340 -0.000 0.000 0.211 125 Q C 1.165 177.069 176.000 -0.160 0.000 0.967 125 Q CA 0.460 56.184 55.803 -0.131 0.000 0.926 125 Q CB 0.287 28.940 28.738 -0.141 0.000 0.992 125 Q HN 0.382 nan 8.270 nan 0.000 0.506 126 L N -1.370 119.736 121.223 -0.196 0.000 2.693 126 L HA 0.245 4.585 4.340 -0.000 0.000 0.235 126 L C 0.886 177.737 176.870 -0.031 0.000 1.127 126 L CA 0.228 54.978 54.840 -0.150 0.000 0.914 126 L CB 0.575 42.479 42.059 -0.258 0.000 1.193 126 L HN 0.298 nan 8.230 nan 0.000 0.502 127 G N 0.792 109.578 108.800 -0.022 0.000 2.141 127 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.231 127 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.231 127 G C -0.043 174.878 174.900 0.035 0.000 0.984 127 G CA -0.360 44.746 45.100 0.010 0.000 0.660 127 G HN 0.191 nan 8.290 nan 0.000 0.525 128 L N 0.796 122.046 121.223 0.045 0.000 2.319 128 L HA 0.388 4.728 4.340 -0.000 0.000 0.281 128 L C -0.053 176.777 176.870 -0.066 0.000 1.005 128 L CA -0.637 54.219 54.840 0.027 0.000 0.828 128 L CB 1.403 43.527 42.059 0.109 0.000 1.227 128 L HN 0.159 nan 8.230 nan 0.000 0.415 129 N N 3.736 122.356 118.700 -0.134 0.000 2.719 129 N HA 0.336 5.076 4.740 -0.000 0.000 0.243 129 N C -0.519 174.799 175.510 -0.321 0.000 1.104 129 N CA -0.351 52.589 53.050 -0.183 0.000 0.981 129 N CB 1.003 39.399 38.487 -0.152 0.000 1.290 129 N HN 0.338 nan 8.380 nan 0.000 0.513 130 V N -1.483 118.226 119.914 -0.342 0.000 3.167 130 V HA 0.469 4.589 4.120 -0.000 0.000 0.310 130 V C -0.645 175.212 176.094 -0.396 0.000 1.207 130 V CA -1.059 60.980 62.300 -0.436 0.000 1.059 130 V CB 2.137 33.693 31.823 -0.444 0.000 1.079 130 V HN 0.429 nan 8.190 nan 0.000 0.446 131 H N 1.077 120.075 119.070 -0.121 0.000 2.519 131 H HA 0.826 5.382 4.556 -0.000 0.000 0.316 131 H C 0.036 175.352 175.328 -0.020 0.000 1.065 131 H CA 0.408 56.426 56.048 -0.049 0.000 1.264 131 H CB 1.587 31.332 29.762 -0.029 0.000 1.413 131 H HN 1.121 nan 8.280 nan 0.000 0.465 132 A N 4.287 127.177 122.820 0.116 0.000 2.356 132 A HA 0.679 4.999 4.320 -0.000 0.000 0.323 132 A C -0.769 176.899 177.584 0.140 0.000 1.119 132 A CA -0.597 51.526 52.037 0.144 0.000 0.790 132 A CB 1.428 20.554 19.000 0.211 0.000 1.273 132 A HN 0.516 nan 8.150 nan 0.000 0.452 133 I N 0.751 121.421 120.570 0.167 0.000 2.569 133 I HA 0.490 4.660 4.170 -0.000 0.000 0.290 133 I C 0.199 176.423 176.117 0.180 0.000 1.088 133 I CA -0.362 61.012 61.300 0.125 0.000 1.047 133 I CB 1.487 39.549 38.000 0.103 0.000 1.237 133 I HN 0.801 nan 8.210 nan 0.000 0.421 134 A N 4.729 127.671 122.820 0.203 0.000 2.276 134 A HA 0.657 4.977 4.320 -0.000 0.000 0.300 134 A C 0.296 178.004 177.584 0.207 0.000 1.235 134 A CA -0.320 51.841 52.037 0.207 0.000 0.867 134 A CB 0.152 19.283 19.000 0.218 0.000 1.137 134 A HN 0.731 nan 8.150 nan 0.000 0.527 135 T N 0.630 115.257 114.554 0.121 0.000 2.902 135 T HA 0.622 4.972 4.350 -0.000 0.000 0.283 135 T C -2.115 172.573 174.700 -0.020 0.000 1.009 135 T CA -1.887 60.241 62.100 0.047 0.000 1.051 135 T CB 1.749 70.657 68.868 0.067 0.000 0.999 135 T HN 0.390 nan 8.240 nan 0.000 0.474 136 P HA 0.242 nan 4.420 nan 0.000 0.255 136 P C -0.056 177.209 177.300 -0.059 0.000 1.357 136 P CA -0.108 62.908 63.100 -0.140 0.000 0.839 136 P CB -0.525 31.003 31.700 -0.288 0.000 1.356 137 I N -4.386 116.186 120.570 0.003 0.000 3.095 137 I HA 0.491 4.661 4.170 -0.000 0.000 0.310 137 I C 0.021 176.189 176.117 0.085 0.000 1.196 137 I CA -1.518 59.825 61.300 0.073 0.000 0.985 137 I CB 1.933 40.021 38.000 0.146 0.000 1.250 137 I HN -0.290 nan 8.210 nan 0.000 0.446 138 S N 0.357 116.115 115.700 0.096 0.000 2.580 138 S HA -0.016 4.454 4.470 -0.000 0.000 0.261 138 S C 1.304 175.963 174.600 0.099 0.000 1.366 138 S CA 0.311 58.567 58.200 0.093 0.000 0.996 138 S CB 0.944 64.200 63.200 0.093 0.000 0.902 138 S HN 0.965 nan 8.310 nan 0.000 0.566 139 T N 0.743 115.350 114.554 0.090 0.000 2.759 139 T HA 0.059 4.409 4.350 -0.000 0.000 0.269 139 T C 1.087 175.833 174.700 0.078 0.000 1.042 139 T CA 1.313 63.463 62.100 0.084 0.000 1.140 139 T CB -1.361 67.547 68.868 0.066 0.000 0.864 139 T HN 0.934 nan 8.240 nan 0.000 0.455 143 I N 2.265 122.897 120.570 0.105 0.000 2.361 143 I HA -0.131 4.039 4.170 -0.000 0.000 0.251 143 I C 2.097 178.270 176.117 0.094 0.000 1.133 143 I CA 1.209 62.565 61.300 0.094 0.000 1.413 143 I CB -0.197 37.852 38.000 0.081 0.000 1.073 143 I HN 0.230 nan 8.210 nan 0.000 0.424 144 S N 0.784 116.544 115.700 0.101 0.000 2.368 144 S HA -0.159 4.311 4.470 -0.000 0.000 0.225 144 S C 1.930 176.551 174.600 0.035 0.000 1.030 144 S CA 1.127 59.368 58.200 0.067 0.000 0.999 144 S CB -0.317 62.936 63.200 0.088 0.000 0.844 144 S HN 0.233 nan 8.310 nan 0.000 0.459 145 L N 1.119 122.378 121.223 0.061 0.000 2.079 145 L HA -0.121 4.219 4.340 -0.000 0.000 0.210 145 L C 2.423 179.313 176.870 0.034 0.000 1.081 145 L CA 1.424 56.293 54.840 0.047 0.000 0.752 145 L CB -0.827 41.283 42.059 0.084 0.000 0.896 145 L HN 0.383 nan 8.230 nan 0.000 0.433 146 C N -1.344 118.006 119.300 0.082 0.000 2.453 146 C HA -0.114 4.346 4.460 -0.000 0.000 0.277 146 C C 2.691 177.804 174.990 0.204 0.000 1.262 146 C CA 0.365 59.477 59.018 0.158 0.000 1.718 146 C CB -0.851 27.012 27.740 0.206 0.000 2.031 146 C HN 0.465 nan 8.230 nan 0.000 0.480 147 L N 0.637 121.943 121.223 0.139 0.000 2.046 147 L HA -0.155 4.185 4.340 -0.000 0.000 0.208 147 L C 2.774 179.704 176.870 0.101 0.000 1.077 147 L CA 1.794 56.710 54.840 0.126 0.000 0.747 147 L CB -0.884 41.221 42.059 0.075 0.000 0.896 147 L HN 0.387 nan 8.230 nan 0.000 0.432 148 S N -0.192 115.533 115.700 0.041 0.000 2.383 148 S HA -0.205 4.265 4.470 -0.000 0.000 0.229 148 S C 2.107 176.718 174.600 0.018 0.000 1.030 148 S CA 1.303 59.504 58.200 0.001 0.000 1.002 148 S CB -0.066 63.105 63.200 -0.050 0.000 0.829 148 S HN 0.440 nan 8.310 nan 0.000 0.467 149 A N 1.432 124.259 122.820 0.012 0.000 1.873 149 A HA 0.242 4.562 4.320 -0.000 0.000 0.215 149 A C 2.502 180.197 177.584 0.185 0.000 1.186 149 A CA 1.777 53.775 52.037 -0.064 0.000 0.616 149 A CB -1.490 17.245 19.000 -0.442 0.000 0.823 149 A HN 0.820 nan 8.150 nan 0.000 0.442 150 A N -0.443 122.649 122.820 0.454 0.000 2.024 150 A HA -0.189 4.131 4.320 -0.000 0.000 0.220 150 A C 2.201 179.992 177.584 0.345 0.000 1.164 150 A CA 1.902 54.280 52.037 0.569 0.000 0.643 150 A CB -0.453 18.790 19.000 0.406 0.000 0.806 150 A HN 0.600 nan 8.150 nan 0.000 0.451 151 R N -0.453 120.160 120.500 0.188 0.000 2.080 151 R HA -0.004 4.336 4.340 -0.000 0.000 0.222 151 R C 2.067 178.405 176.300 0.062 0.000 1.107 151 R CA 1.380 57.548 56.100 0.114 0.000 0.980 151 R CB -0.222 30.116 30.300 0.065 0.000 0.879 151 R HN 0.444 nan 8.270 nan 0.000 0.439 152 K N 0.262 120.677 120.400 0.025 0.000 2.057 152 K HA -0.158 4.162 4.320 -0.000 0.000 0.207 152 K C 2.069 178.629 176.600 -0.067 0.000 1.049 152 K CA 1.542 57.814 56.287 -0.025 0.000 0.931 152 K CB 0.017 32.488 32.500 -0.049 0.000 0.714 152 K HN 0.071 nan 8.250 nan 0.000 0.440 153 K N -0.548 119.780 120.400 -0.120 0.000 2.137 153 K HA -0.052 4.268 4.320 -0.000 0.000 0.202 153 K C 0.854 177.145 176.600 -0.515 0.000 1.052 153 K CA 1.048 57.116 56.287 -0.365 0.000 0.961 153 K CB 0.321 32.506 32.500 -0.525 0.000 0.741 153 K HN 0.147 nan 8.250 nan 0.000 0.452 154 Y N -1.272 119.086 120.300 0.097 0.000 2.527 154 Y HA 0.276 4.826 4.550 -0.000 0.000 0.247 154 Y C 0.860 176.791 175.900 0.052 0.000 1.138 154 Y CA -0.063 58.078 58.100 0.068 0.000 1.228 154 Y CB 1.483 39.982 38.460 0.065 0.000 1.252 154 Y HN 0.169 nan 8.280 nan 0.000 0.531 155 G N 1.050 109.934 108.800 0.139 0.000 2.198 155 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.260 155 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.260 155 G C 0.009 174.971 174.900 0.105 0.000 1.025 155 G CA 0.392 45.550 45.100 0.097 0.000 0.769 155 G HN 0.241 nan 8.290 nan 0.000 0.507 156 S N 0.512 116.294 115.700 0.136 0.000 2.552 156 S HA 0.323 4.793 4.470 -0.000 0.000 0.289 156 S C 1.226 175.868 174.600 0.071 0.000 1.304 156 S CA 0.607 58.871 58.200 0.105 0.000 1.063 156 S CB 0.702 63.976 63.200 0.123 0.000 0.848 156 S HN 0.897 nan 8.310 nan 0.000 0.499 157 N N 0.895 119.627 118.700 0.053 0.000 2.143 157 N HA 0.164 4.904 4.740 -0.000 0.000 0.229 157 N C -0.672 174.858 175.510 0.033 0.000 1.294 157 N CA -0.173 52.901 53.050 0.039 0.000 0.883 157 N CB 0.472 38.979 38.487 0.033 0.000 1.148 157 N HN 0.350 nan 8.380 nan 0.000 0.511 158 V N -0.030 119.905 119.914 0.034 0.000 2.891 158 V HA 0.552 4.672 4.120 -0.000 0.000 0.304 158 V C -1.730 174.384 176.094 0.033 0.000 1.171 158 V CA -0.702 61.616 62.300 0.029 0.000 0.943 158 V CB 2.243 34.079 31.823 0.022 0.000 1.037 158 V HN -0.126 nan 8.190 nan 0.000 0.427 159 V N 7.707 127.643 119.914 0.037 0.000 2.334 159 V HA 0.494 4.613 4.120 -0.000 0.000 0.281 159 V C -0.113 176.025 176.094 0.074 0.000 1.016 159 V CA -0.489 61.842 62.300 0.052 0.000 0.832 159 V CB 1.344 33.194 31.823 0.045 0.000 0.999 159 V HN 0.717 nan 8.190 nan 0.000 0.439 160 I N 5.710 126.318 120.570 0.063 0.000 2.436 160 I HA 0.178 4.348 4.170 -0.000 0.000 0.289 160 I C -0.420 175.786 176.117 0.147 0.000 1.083 160 I CA 0.067 61.405 61.300 0.063 0.000 1.372 160 I CB 0.175 38.170 38.000 -0.008 0.000 1.408 160 I HN 0.572 nan 8.210 nan 0.000 0.516 161 Y N 8.986 129.292 120.300 0.010 0.000 2.575 161 Y HA 0.520 5.070 4.550 -0.000 0.000 0.326 161 Y C -2.429 173.491 175.900 0.034 0.000 0.979 161 Y CA -3.324 54.792 58.100 0.026 0.000 1.286 161 Y CB 1.027 39.520 38.460 0.055 0.000 1.093 161 Y HN 0.487 nan 8.280 nan 0.000 0.501 162 P HA -0.103 nan 4.420 nan 0.000 0.261 162 P C -0.895 176.096 177.300 -0.516 0.000 1.203 162 P CA 0.443 63.384 63.100 -0.265 0.000 0.767 162 P CB -0.128 31.442 31.700 -0.217 0.000 0.785 163 Y N 4.145 124.192 120.300 -0.421 0.000 2.863 163 Y HA 0.101 4.651 4.550 -0.000 0.000 0.359 163 Y C 0.267 175.848 175.900 -0.532 0.000 1.312 163 Y CA 0.047 57.901 58.100 -0.409 0.000 1.650 163 Y CB -0.606 37.747 38.460 -0.178 0.000 1.201 163 Y HN 0.398 nan 8.280 nan 0.000 0.531 164 A N 4.663 126.853 122.820 -1.050 0.000 2.457 164 A HA 0.451 4.770 4.320 -0.000 0.000 0.283 164 A C -0.191 176.931 177.584 -0.770 0.000 1.166 164 A CA -0.270 51.092 52.037 -1.126 0.000 0.740 164 A CB 0.263 18.774 19.000 -0.816 0.000 1.181 164 A HN 0.849 nan 8.150 nan 0.000 0.446 165 S N 2.622 117.748 115.700 -0.957 0.000 3.919 165 S HA 0.254 4.724 4.470 -0.000 0.000 0.245 165 S C -0.085 174.353 174.600 -0.270 0.000 1.344 165 S CA -0.183 57.533 58.200 -0.807 0.000 0.896 165 S CB -0.594 61.734 63.200 -1.452 0.000 1.557 165 S HN 0.719 nan 8.310 nan 0.000 0.468 166 H N 1.775 120.960 119.070 0.191 0.000 2.744 166 H HA 0.372 4.928 4.556 -0.000 0.000 0.339 166 H C 0.399 175.975 175.328 0.413 0.000 1.004 166 H CA -0.719 55.559 56.048 0.385 0.000 1.257 166 H CB 1.499 31.499 29.762 0.396 0.000 1.552 166 H HN 0.418 nan 8.280 nan 0.000 0.522 167 K N 1.934 122.650 120.400 0.525 0.000 2.113 167 K HA -0.176 4.144 4.320 -0.000 0.000 0.208 167 K C 1.929 178.742 176.600 0.355 0.000 1.047 167 K CA 1.590 58.106 56.287 0.382 0.000 0.928 167 K CB 0.240 32.852 32.500 0.187 0.000 0.716 167 K HN 0.344 nan 8.250 nan 0.000 0.446 168 S N 0.660 116.675 115.700 0.525 0.000 2.351 168 S HA -0.068 4.402 4.470 -0.000 0.000 0.220 168 S C -0.877 173.829 174.600 0.177 0.000 1.035 168 S CA 1.385 59.758 58.200 0.288 0.000 1.031 168 S CB -0.775 62.549 63.200 0.207 0.000 0.928 168 S HN 0.121 nan 8.310 nan 0.000 0.433 169 P HA -0.050 nan 4.420 nan 0.000 0.217 169 P C 1.492 178.780 177.300 -0.019 0.000 1.150 169 P CA 1.130 64.278 63.100 0.080 0.000 0.832 169 P CB -0.256 31.526 31.700 0.137 0.000 0.787 170 I N 0.166 120.747 120.570 0.018 0.000 2.286 170 I HA -0.194 3.976 4.170 -0.000 0.000 0.248 170 I C 2.729 178.852 176.117 0.011 0.000 1.115 170 I CA 1.483 62.750 61.300 -0.056 0.000 1.392 170 I CB -0.541 37.516 38.000 0.095 0.000 1.065 170 I HN -0.046 nan 8.210 nan 0.000 0.418 171 K N 1.321 121.764 120.400 0.072 0.000 2.288 171 K HA -0.063 4.257 4.320 -0.000 0.000 0.201 171 K C 2.128 178.791 176.600 0.105 0.000 1.048 171 K CA 0.985 57.314 56.287 0.069 0.000 0.956 171 K CB 0.029 32.562 32.500 0.057 0.000 0.746 171 K HN 0.274 nan 8.250 nan 0.000 0.461 172 A N 0.434 123.317 122.820 0.105 0.000 1.898 172 A HA -0.088 4.232 4.320 -0.000 0.000 0.216 172 A C 2.135 179.793 177.584 0.124 0.000 1.181 172 A CA 1.462 53.590 52.037 0.152 0.000 0.620 172 A CB -0.544 18.520 19.000 0.107 0.000 0.819 172 A HN 0.135 nan 8.150 nan 0.000 0.442 173 V N 1.073 121.007 119.914 0.035 0.000 2.295 173 V HA -0.256 3.864 4.120 -0.000 0.000 0.246 173 V C 3.001 179.125 176.094 0.050 0.000 1.049 173 V CA 2.463 64.766 62.300 0.005 0.000 1.024 173 V CB -1.088 30.683 31.823 -0.087 0.000 0.648 173 V HN 0.798 nan 8.190 nan 0.000 0.447 174 S N -0.424 115.318 115.700 0.070 0.000 2.402 174 S HA -0.194 4.276 4.470 -0.000 0.000 0.229 174 S C 2.021 176.725 174.600 0.173 0.000 1.021 174 S CA 1.360 59.615 58.200 0.091 0.000 0.974 174 S CB -0.887 62.356 63.200 0.073 0.000 0.800 174 S HN 0.589 nan 8.310 nan 0.000 0.484 175 F N 1.984 121.937 119.950 0.005 0.000 2.095 175 F HA -0.070 4.457 4.527 -0.000 0.000 0.298 175 F C 1.979 177.783 175.800 0.006 0.000 1.104 175 F CA 0.955 58.959 58.000 0.007 0.000 1.232 175 F CB -0.018 38.990 39.000 0.013 0.000 0.987 175 F HN 0.083 nan 8.300 nan 0.000 0.475 176 V N 1.263 121.181 119.914 0.008 0.000 3.444 176 V HA 0.054 4.174 4.120 -0.000 0.000 0.271 176 V C 1.047 177.117 176.094 -0.039 0.000 1.188 176 V CA 0.803 63.035 62.300 -0.114 0.000 1.168 176 V CB -1.280 30.504 31.823 -0.066 0.000 0.810 176 V HN 0.698 nan 8.190 nan 0.000 0.500 182 L N 4.618 125.896 121.223 0.093 0.000 2.385 182 L HA 0.411 4.751 4.340 -0.000 0.000 0.281 182 L C -0.536 176.353 176.870 0.031 0.000 1.106 182 L CA -0.450 54.461 54.840 0.118 0.000 0.856 182 L CB 0.689 42.801 42.059 0.089 0.000 1.186 182 L HN 0.416 nan 8.230 nan 0.000 0.453 183 V N 6.075 126.006 119.914 0.028 0.000 2.299 183 V HA 0.139 4.259 4.120 -0.000 0.000 0.255 183 V C 0.378 176.459 176.094 -0.023 0.000 1.100 183 V CA -0.809 61.481 62.300 -0.016 0.000 0.938 183 V CB 0.276 32.081 31.823 -0.029 0.000 1.139 183 V HN 0.721 nan 8.190 nan 0.000 0.490 184 E N 2.651 122.815 120.200 -0.061 0.000 2.537 184 E HA -0.024 4.326 4.350 -0.000 0.000 0.269 184 E C 0.661 177.254 176.600 -0.011 0.000 1.038 184 E CA 0.369 56.723 56.400 -0.076 0.000 0.977 184 E CB 0.370 30.004 29.700 -0.109 0.000 0.973 184 E HN 0.743 nan 8.360 nan 0.000 0.456 185 T N -1.858 112.734 114.554 0.064 0.000 2.918 185 T HA 0.498 4.848 4.350 -0.000 0.000 0.283 185 T C 0.161 174.897 174.700 0.060 0.000 1.001 185 T CA -0.945 61.184 62.100 0.049 0.000 1.041 185 T CB 1.252 70.200 68.868 0.132 0.000 1.028 185 T HN 0.194 nan 8.240 nan 0.000 0.511 186 V N 2.104 121.909 119.914 -0.182 0.000 2.815 186 V HA 0.479 4.598 4.120 -0.000 0.000 0.314 186 V C 0.105 175.992 176.094 -0.344 0.000 1.064 186 V CA -1.229 60.959 62.300 -0.187 0.000 0.952 186 V CB 1.866 33.468 31.823 -0.369 0.000 1.020 186 V HN 0.896 nan 8.190 nan 0.000 0.439 187 L N 2.202 123.271 121.223 -0.258 0.000 2.399 187 L HA 0.587 4.927 4.340 -0.000 0.000 0.266 187 L C -0.799 175.988 176.870 -0.139 0.000 1.114 187 L CA 0.036 54.655 54.840 -0.367 0.000 0.804 187 L CB 1.560 43.377 42.059 -0.403 0.000 1.146 187 L HN 0.870 nan 8.230 nan 0.000 0.451 188 D N 2.580 122.950 120.400 -0.049 0.000 2.634 188 D HA 0.433 5.072 4.640 -0.000 0.000 0.236 188 D C 0.070 176.393 176.300 0.038 0.000 1.323 188 D CA 0.762 54.794 54.000 0.053 0.000 0.884 188 D CB 0.468 41.405 40.800 0.227 0.000 1.496 188 D HN 0.833 nan 8.370 nan 0.000 0.525 189 G N 2.778 111.571 108.800 -0.012 0.000 2.523 189 G HA2 -0.303 3.657 3.960 -0.000 0.000 0.271 189 G HA3 -0.303 3.657 3.960 -0.000 0.000 0.271 189 G C 0.546 175.426 174.900 -0.033 0.000 1.146 189 G CA 0.263 45.351 45.100 -0.019 0.000 0.961 189 G HN 0.431 nan 8.290 nan 0.000 0.549 190 D N 1.909 122.326 120.400 0.029 0.000 2.340 190 D HA 0.137 4.777 4.640 -0.000 0.000 0.220 190 D C 1.354 177.770 176.300 0.192 0.000 1.039 190 D CA 0.549 54.609 54.000 0.099 0.000 0.866 190 D CB 0.222 41.076 40.800 0.089 0.000 0.913 190 D HN 0.355 nan 8.370 nan 0.000 0.523 191 R N 0.200 120.773 120.500 0.122 0.000 2.664 191 R HA 0.591 4.931 4.340 -0.000 0.000 0.286 191 R C -0.630 175.730 176.300 0.100 0.000 0.967 191 R CA -0.670 55.501 56.100 0.119 0.000 0.933 191 R CB 2.658 33.024 30.300 0.109 0.000 1.146 191 R HN -0.219 nan 8.270 nan 0.000 0.468 192 V N 3.268 123.224 119.914 0.069 0.000 2.715 192 V HA 0.592 4.712 4.120 -0.000 0.000 0.310 192 V C -1.090 175.081 176.094 0.127 0.000 1.054 192 V CA -0.624 61.661 62.300 -0.025 0.000 0.928 192 V CB 1.486 33.252 31.823 -0.095 0.000 1.007 192 V HN 0.854 nan 8.190 nan 0.000 0.437 193 Y N 1.578 121.859 120.300 -0.032 0.000 2.702 193 Y HA 0.740 5.290 4.550 -0.000 0.000 0.336 193 Y C -1.593 174.298 175.900 -0.015 0.000 1.203 193 Y CA -1.413 56.670 58.100 -0.028 0.000 1.072 193 Y CB 1.260 39.706 38.460 -0.024 0.000 1.327 193 Y HN 0.232 nan 8.280 nan 0.000 0.456 194 V N 2.768 122.782 119.914 0.166 0.000 2.350 194 V HA 0.461 4.580 4.120 -0.000 0.000 0.276 194 V C -2.444 173.789 176.094 0.231 0.000 1.028 194 V CA -1.894 60.444 62.300 0.063 0.000 0.860 194 V CB 0.985 32.806 31.823 -0.004 0.000 0.990 194 V HN 0.590 nan 8.190 nan 0.000 0.453 195 P HA 0.134 nan 4.420 nan 0.000 0.271 195 P C 1.100 178.452 177.300 0.087 0.000 1.233 195 P CA -0.033 63.218 63.100 0.251 0.000 0.764 195 P CB 1.010 32.813 31.700 0.172 0.000 0.825 196 V N 2.594 122.538 119.914 0.051 0.000 2.527 196 V HA -0.275 3.845 4.120 -0.000 0.000 0.255 196 V C 2.293 178.370 176.094 -0.029 0.000 1.081 196 V CA 2.243 64.532 62.300 -0.019 0.000 1.092 196 V CB -0.965 30.831 31.823 -0.045 0.000 0.673 196 V HN 0.587 nan 8.190 nan 0.000 0.470 197 E N 1.041 121.240 120.200 -0.003 0.000 2.047 197 E HA -0.208 4.142 4.350 -0.000 0.000 0.191 197 E C 1.754 178.339 176.600 -0.024 0.000 0.987 197 E CA 1.756 58.150 56.400 -0.010 0.000 0.799 197 E CB -0.400 29.305 29.700 0.009 0.000 0.752 197 E HN 0.644 nan 8.360 nan 0.000 0.449 198 D N -0.268 120.121 120.400 -0.018 0.000 2.348 198 D HA -0.041 4.599 4.640 -0.000 0.000 0.216 198 D C 1.851 178.121 176.300 -0.051 0.000 0.970 198 D CA 0.450 54.432 54.000 -0.031 0.000 0.889 198 D CB 0.121 40.906 40.800 -0.026 0.000 0.912 198 D HN 0.349 nan 8.370 nan 0.000 0.524 199 I N 0.665 121.197 120.570 -0.063 0.000 2.480 199 I HA -0.129 4.041 4.170 -0.000 0.000 0.251 199 I C 2.469 178.503 176.117 -0.137 0.000 1.124 199 I CA 0.632 61.877 61.300 -0.092 0.000 1.444 199 I CB 0.095 38.035 38.000 -0.100 0.000 1.098 199 I HN -0.103 nan 8.210 nan 0.000 0.428 200 E N 1.114 121.229 120.200 -0.141 0.000 2.072 200 E HA -0.195 4.155 4.350 -0.000 0.000 0.190 200 E C 1.789 178.281 176.600 -0.181 0.000 0.982 200 E CA 0.939 57.212 56.400 -0.211 0.000 0.803 200 E CB 0.156 29.774 29.700 -0.137 0.000 0.755 200 E HN 0.408 nan 8.360 nan 0.000 0.453 201 N N 0.525 119.168 118.700 -0.096 0.000 2.223 201 N HA -0.131 4.609 4.740 -0.000 0.000 0.185 201 N C 1.548 177.017 175.510 -0.070 0.000 1.016 201 N CA 1.082 54.096 53.050 -0.062 0.000 0.863 201 N CB -0.209 38.258 38.487 -0.034 0.000 0.983 201 N HN 0.187 nan 8.380 nan 0.000 0.429 202 A N 1.254 124.025 122.820 -0.082 0.000 1.872 202 A HA -0.010 4.310 4.320 -0.000 0.000 0.214 202 A C 2.329 179.859 177.584 -0.090 0.000 1.187 202 A CA 0.671 52.667 52.037 -0.069 0.000 0.614 202 A CB -0.551 18.413 19.000 -0.059 0.000 0.826 202 A HN 0.153 nan 8.150 nan 0.000 0.442 203 I N 0.599 121.076 120.570 -0.155 0.000 2.127 203 I HA -0.337 3.833 4.170 -0.000 0.000 0.241 203 I C 2.553 178.571 176.117 -0.165 0.000 1.075 203 I CA 2.104 63.282 61.300 -0.205 0.000 1.334 203 I CB -0.324 37.439 38.000 -0.396 0.000 1.040 203 I HN 0.505 nan 8.210 nan 0.000 0.405 204 K N 1.418 121.714 120.400 -0.174 0.000 2.280 204 K HA -0.213 4.107 4.320 -0.000 0.000 0.202 204 K C 2.019 178.619 176.600 0.001 0.000 1.047 204 K CA 1.401 57.671 56.287 -0.028 0.000 0.942 204 K CB -0.242 32.289 32.500 0.051 0.000 0.739 204 K HN 0.254 nan 8.250 nan 0.000 0.457 205 K N 0.859 121.245 120.400 -0.023 0.000 2.243 205 K HA -0.040 4.280 4.320 -0.000 0.000 0.201 205 K C 1.595 178.193 176.600 -0.004 0.000 1.051 205 K CA 0.663 56.945 56.287 -0.008 0.000 0.970 205 K CB 0.309 32.800 32.500 -0.015 0.000 0.755 205 K HN 0.090 nan 8.250 nan 0.000 0.465 206 E N 0.604 120.797 120.200 -0.012 0.000 2.216 206 E HA -0.054 4.296 4.350 -0.000 0.000 0.192 206 E C 1.865 178.471 176.600 0.010 0.000 0.988 206 E CA 0.649 57.047 56.400 -0.003 0.000 0.834 206 E CB 0.145 29.840 29.700 -0.009 0.000 0.772 206 E HN 0.406 nan 8.360 nan 0.000 0.479 207 I N 0.872 121.452 120.570 0.017 0.000 2.353 207 I HA -0.200 3.970 4.170 -0.000 0.000 0.248 207 I C 2.063 178.201 176.117 0.034 0.000 1.119 207 I CA 0.863 62.185 61.300 0.037 0.000 1.417 207 I CB -0.155 37.887 38.000 0.071 0.000 1.078 207 I HN 0.030 nan 8.210 nan 0.000 0.421 208 E N 0.975 121.193 120.200 0.030 0.000 2.118 208 E HA -0.196 4.154 4.350 -0.000 0.000 0.195 208 E C 2.056 178.667 176.600 0.018 0.000 0.992 208 E CA 1.116 57.531 56.400 0.025 0.000 0.804 208 E CB -0.106 29.607 29.700 0.021 0.000 0.741 208 E HN 0.475 nan 8.360 nan 0.000 0.458 209 L N -0.282 120.950 121.223 0.015 0.000 2.610 209 L HA 0.060 4.400 4.340 -0.000 0.000 0.232 209 L C 1.283 178.162 176.870 0.015 0.000 1.149 209 L CA 0.401 55.248 54.840 0.013 0.000 0.872 209 L CB -0.187 41.878 42.059 0.010 0.000 0.992 209 L HN 0.319 nan 8.230 nan 0.000 0.447 210 G N -0.161 108.651 108.800 0.019 0.000 2.137 210 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.237 210 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.237 210 G C -0.031 174.883 174.900 0.023 0.000 1.002 210 G CA -0.163 44.950 45.100 0.021 0.000 0.702 210 G HN 0.367 nan 8.290 nan 0.000 0.515 211 N N -0.460 118.254 118.700 0.023 0.000 2.472 211 N HA 0.642 5.382 4.740 -0.000 0.000 0.289 211 N C 0.136 175.664 175.510 0.029 0.000 1.156 211 N CA -0.615 52.450 53.050 0.025 0.000 0.940 211 N CB 0.847 39.346 38.487 0.020 0.000 1.200 211 N HN 0.174 nan 8.380 nan 0.000 0.511 212 R N 1.355 121.876 120.500 0.035 0.000 2.369 212 R HA 0.305 4.645 4.340 -0.000 0.000 0.310 212 R C -2.096 174.224 176.300 0.033 0.000 1.141 212 R CA -1.390 54.735 56.100 0.042 0.000 1.116 212 R CB 0.585 30.922 30.300 0.061 0.000 1.135 212 R HN 0.399 nan 8.270 nan 0.000 0.529 213 P HA -0.036 nan 4.420 nan 0.000 0.269 213 P C -0.513 176.783 177.300 -0.007 0.000 1.215 213 P CA -0.260 62.838 63.100 -0.003 0.000 0.780 213 P CB 1.126 32.805 31.700 -0.034 0.000 0.898 214 C N 3.028 122.329 119.300 0.002 0.000 2.609 214 C HA 0.523 4.983 4.460 -0.000 0.000 0.313 214 C C -0.759 174.242 174.990 0.018 0.000 1.175 214 C CA -0.367 58.656 59.018 0.008 0.000 1.434 214 C CB 1.007 28.774 27.740 0.045 0.000 2.005 214 C HN 0.377 nan 8.230 nan 0.000 0.471 215 V N 6.754 126.679 119.914 0.019 0.000 2.398 215 V HA 0.432 4.552 4.120 -0.000 0.000 0.286 215 V C -0.149 176.037 176.094 0.152 0.000 1.026 215 V CA -0.411 61.917 62.300 0.048 0.000 0.868 215 V CB 1.581 33.365 31.823 -0.064 0.000 0.982 215 V HN 0.819 nan 8.190 nan 0.000 0.443 216 L N 6.207 127.532 121.223 0.170 0.000 2.313 216 L HA 0.517 4.857 4.340 -0.000 0.000 0.273 216 L C 0.529 177.507 176.870 0.179 0.000 1.028 216 L CA 0.003 54.964 54.840 0.202 0.000 0.871 216 L CB 1.260 43.477 42.059 0.263 0.000 1.242 216 L HN 0.858 nan 8.230 nan 0.000 0.434 217 S N 2.375 118.146 115.700 0.119 0.000 2.707 217 S HA 0.624 5.093 4.470 -0.000 0.000 0.276 217 S C -0.087 174.488 174.600 -0.042 0.000 1.179 217 S CA -0.527 57.688 58.200 0.024 0.000 0.992 217 S CB 1.895 65.165 63.200 0.116 0.000 1.030 217 S HN 0.527 nan 8.310 nan 0.000 0.554 218 T N 1.739 116.227 114.554 -0.110 0.000 2.949 218 T HA 0.362 4.712 4.350 -0.000 0.000 0.300 218 T C 0.335 174.944 174.700 -0.152 0.000 0.988 218 T CA -0.484 61.538 62.100 -0.130 0.000 0.993 218 T CB 1.320 70.088 68.868 -0.168 0.000 0.984 218 T HN 0.524 nan 8.240 nan 0.000 0.442 219 L N 3.753 124.850 121.223 -0.210 0.000 2.249 219 L HA 0.302 4.642 4.340 -0.000 0.000 0.207 219 L C 1.075 177.649 176.870 -0.493 0.000 1.090 219 L CA 1.262 55.929 54.840 -0.289 0.000 0.802 219 L CB 0.095 41.961 42.059 -0.321 0.000 0.947 219 L HN 0.746 nan 8.230 nan 0.000 0.453 220 T N -2.115 112.101 114.554 -0.564 0.000 2.786 220 T HA 0.556 4.906 4.350 -0.000 0.000 0.283 220 T C -0.760 173.713 174.700 -0.379 0.000 0.992 220 T CA -0.433 61.176 62.100 -0.817 0.000 0.954 220 T CB 1.352 69.284 68.868 -1.560 0.000 0.934 220 T HN 0.048 nan 8.240 nan 0.000 0.440 221 F N 1.478 121.273 119.950 -0.257 0.000 2.741 221 F HA 0.599 5.126 4.527 -0.000 0.000 0.313 221 F C -1.411 174.461 175.800 0.119 0.000 1.153 221 F CA -2.078 55.907 58.000 -0.026 0.000 0.931 221 F CB 1.354 40.338 39.000 -0.027 0.000 1.335 221 F HN 0.667 nan 8.300 nan 0.000 0.460 222 F N 4.244 124.056 119.950 -0.229 0.000 2.572 222 F HA 0.141 4.668 4.527 -0.000 0.000 0.370 222 F C -1.303 174.571 175.800 0.122 0.000 1.103 222 F CA -0.264 57.715 58.000 -0.036 0.000 1.286 222 F CB 0.299 39.193 39.000 -0.176 0.000 1.105 222 F HN 0.376 nan 8.300 nan 0.000 0.583 223 P HA -0.339 nan 4.420 nan 0.000 0.227 223 P C -1.229 176.117 177.300 0.076 0.000 1.106 223 P CA 2.864 66.050 63.100 0.143 0.000 0.998 223 P CB -1.208 30.542 31.700 0.084 0.000 0.769 224 P HA -0.215 nan 4.420 nan 0.000 0.222 224 P C 0.533 177.821 177.300 -0.020 0.000 1.157 224 P CA 1.722 64.738 63.100 -0.140 0.000 0.905 224 P CB -0.382 31.211 31.700 -0.178 0.000 0.792 225 R N 0.511 121.079 120.500 0.114 0.000 2.368 225 R HA 0.220 4.560 4.340 -0.000 0.000 0.302 225 R C 0.049 176.427 176.300 0.131 0.000 1.002 225 R CA -0.713 55.450 56.100 0.105 0.000 0.929 225 R CB 0.480 30.815 30.300 0.057 0.000 1.073 225 R HN -0.079 nan 8.270 nan 0.000 0.464 226 N N 1.127 119.895 118.700 0.113 0.000 2.444 226 N HA 0.057 4.797 4.740 -0.000 0.000 0.255 226 N C -0.554 175.017 175.510 0.100 0.000 1.255 226 N CA 0.015 53.133 53.050 0.113 0.000 0.933 226 N CB 1.031 39.568 38.487 0.083 0.000 1.143 226 N HN 0.530 nan 8.380 nan 0.000 0.453 227 S N 0.373 116.153 115.700 0.133 0.000 2.593 227 S HA 0.088 4.558 4.470 -0.000 0.000 0.269 227 S C -0.000 174.615 174.600 0.026 0.000 1.334 227 S CA -0.537 57.717 58.200 0.089 0.000 1.015 227 S CB 0.547 63.860 63.200 0.188 0.000 0.912 227 S HN 0.358 nan 8.310 nan 0.000 0.541 228 D N 1.394 121.776 120.400 -0.030 0.000 2.372 228 D HA 0.023 4.663 4.640 -0.000 0.000 0.243 228 D C -0.080 176.197 176.300 -0.038 0.000 1.121 228 D CA -0.041 53.934 54.000 -0.041 0.000 0.898 228 D CB 0.505 41.264 40.800 -0.069 0.000 1.202 228 D HN 0.446 nan 8.370 nan 0.000 0.428 229 D N 2.893 123.264 120.400 -0.048 0.000 2.541 229 D HA -0.045 4.595 4.640 -0.000 0.000 0.231 229 D C 1.408 177.662 176.300 -0.076 0.000 1.163 229 D CA -0.348 53.611 54.000 -0.068 0.000 1.077 229 D CB -0.047 40.704 40.800 -0.082 0.000 1.110 229 D HN 0.201 nan 8.370 nan 0.000 0.499 230 I N 2.391 122.924 120.570 -0.062 0.000 2.194 230 I HA -0.284 3.886 4.170 -0.000 0.000 0.246 230 I C 2.392 178.473 176.117 -0.060 0.000 1.093 230 I CA 0.705 61.984 61.300 -0.035 0.000 1.355 230 I CB -0.915 37.035 38.000 -0.082 0.000 1.046 230 I HN 0.231 nan 8.210 nan 0.000 0.413 231 V N 0.524 120.375 119.914 -0.105 0.000 2.295 231 V HA -0.212 3.908 4.120 -0.000 0.000 0.246 231 V C 2.593 178.529 176.094 -0.264 0.000 1.049 231 V CA 1.605 63.811 62.300 -0.157 0.000 1.024 231 V CB -0.520 31.224 31.823 -0.132 0.000 0.648 231 V HN 0.348 nan 8.190 nan 0.000 0.447 232 E N 0.001 120.075 120.200 -0.210 0.000 2.047 232 E HA -0.116 4.234 4.350 -0.000 0.000 0.191 232 E C 2.184 178.647 176.600 -0.228 0.000 0.987 232 E CA 1.252 57.517 56.400 -0.224 0.000 0.799 232 E CB -0.282 29.327 29.700 -0.152 0.000 0.752 232 E HN 0.575 nan 8.360 nan 0.000 0.449 233 I N 1.100 121.542 120.570 -0.213 0.000 2.264 233 I HA -0.288 3.882 4.170 -0.000 0.000 0.248 233 I C 2.452 178.343 176.117 -0.378 0.000 1.111 233 I CA 1.159 62.277 61.300 -0.303 0.000 1.382 233 I CB -0.351 37.446 38.000 -0.339 0.000 1.060 233 I HN -0.000 nan 8.210 nan 0.000 0.418 234 A N 0.818 123.486 122.820 -0.253 0.000 1.902 234 A HA -0.208 4.112 4.320 -0.000 0.000 0.217 234 A C 2.323 179.848 177.584 -0.099 0.000 1.181 234 A CA 1.537 53.519 52.037 -0.092 0.000 0.623 234 A CB -0.412 18.628 19.000 0.067 0.000 0.818 234 A HN 0.322 nan 8.150 nan 0.000 0.443 235 K N -0.487 119.728 120.400 -0.308 0.000 2.097 235 K HA -0.058 4.262 4.320 -0.000 0.000 0.206 235 K C 1.782 178.338 176.600 -0.073 0.000 1.049 235 K CA 1.514 57.616 56.287 -0.309 0.000 0.933 235 K CB -0.321 31.864 32.500 -0.525 0.000 0.717 235 K HN 0.549 nan 8.250 nan 0.000 0.442 236 I N 0.401 120.911 120.570 -0.099 0.000 2.235 236 I HA -0.286 3.884 4.170 -0.000 0.000 0.241 236 I C 2.392 178.531 176.117 0.037 0.000 1.085 236 I CA 0.716 62.014 61.300 -0.002 0.000 1.378 236 I CB -0.341 37.602 38.000 -0.094 0.000 1.076 236 I HN 0.216 nan 8.210 nan 0.000 0.415 237 C N 0.709 119.945 119.300 -0.106 0.000 2.403 237 C HA -0.206 4.254 4.460 -0.000 0.000 0.279 237 C C 2.770 177.764 174.990 0.007 0.000 1.269 237 C CA 1.375 60.336 59.018 -0.095 0.000 1.774 237 C CB -1.042 26.577 27.740 -0.202 0.000 1.993 237 C HN 0.516 nan 8.230 nan 0.000 0.496 238 E N 0.798 121.021 120.200 0.038 0.000 2.028 238 E HA -0.149 4.201 4.350 -0.000 0.000 0.190 238 E C 1.947 178.587 176.600 0.067 0.000 0.984 238 E CA 1.071 57.509 56.400 0.064 0.000 0.800 238 E CB -0.096 29.682 29.700 0.130 0.000 0.758 238 E HN 0.548 nan 8.360 nan 0.000 0.448 239 N N -0.159 118.594 118.700 0.088 0.000 2.149 239 N HA -0.187 4.553 4.740 -0.000 0.000 0.188 239 N C 1.210 176.694 175.510 -0.043 0.000 1.019 239 N CA 1.165 54.226 53.050 0.018 0.000 0.857 239 N CB -0.316 38.173 38.487 0.004 0.000 0.997 239 N HN 0.317 nan 8.380 nan 0.000 0.426 240 Y N 0.843 121.119 120.300 -0.039 0.000 2.490 240 Y HA 0.039 4.589 4.550 -0.000 0.000 0.281 240 Y C 0.194 176.064 175.900 -0.049 0.000 1.174 240 Y CA -0.359 57.716 58.100 -0.042 0.000 1.295 240 Y CB -0.165 38.264 38.460 -0.051 0.000 1.062 240 Y HN -0.018 nan 8.280 nan 0.000 0.522 241 D N 1.093 121.532 120.400 0.066 0.000 2.904 241 D HA -0.226 4.414 4.640 -0.000 0.000 0.231 241 D C -1.065 175.208 176.300 -0.045 0.000 1.185 241 D CA 0.583 54.580 54.000 -0.005 0.000 0.783 241 D CB -1.033 39.767 40.800 -0.000 0.000 0.961 241 D HN 0.185 nan 8.370 nan 0.000 0.409 242 I N 2.661 123.182 120.570 -0.081 0.000 2.647 242 I HA 0.424 4.594 4.170 -0.000 0.000 0.295 242 I C -1.979 174.001 176.117 -0.229 0.000 1.078 242 I CA -2.073 59.146 61.300 -0.135 0.000 1.048 242 I CB 2.195 40.155 38.000 -0.066 0.000 1.239 242 I HN -0.077 nan 8.210 nan 0.000 0.421 243 P HA 0.049 nan 4.420 nan 0.000 0.269 243 P C -1.186 176.044 177.300 -0.117 0.000 1.209 243 P CA 0.180 63.069 63.100 -0.351 0.000 0.776 243 P CB 0.465 31.948 31.700 -0.361 0.000 0.876 244 H N 2.855 121.784 119.070 -0.235 0.000 2.906 244 H HA 0.363 4.919 4.556 -0.000 0.000 0.324 244 H C -1.009 174.234 175.328 -0.142 0.000 0.973 244 H CA -0.857 55.097 56.048 -0.156 0.000 1.321 244 H CB 0.752 30.428 29.762 -0.144 0.000 1.535 244 H HN 0.162 nan 8.280 nan 0.000 0.518 245 I N 7.066 127.617 120.570 -0.032 0.000 2.377 245 I HA 0.265 4.435 4.170 -0.000 0.000 0.293 245 I C 0.135 176.143 176.117 -0.182 0.000 0.987 245 I CA -0.667 60.565 61.300 -0.113 0.000 1.185 245 I CB 1.435 39.451 38.000 0.026 0.000 1.341 245 I HN 0.570 nan 8.210 nan 0.000 0.455 246 I N 5.637 126.039 120.570 -0.280 0.000 2.378 246 I HA 0.234 4.404 4.170 -0.000 0.000 0.291 246 I C 0.317 176.342 176.117 -0.154 0.000 0.992 246 I CA -0.677 60.467 61.300 -0.259 0.000 1.154 246 I CB 1.571 39.329 38.000 -0.403 0.000 1.315 246 I HN 0.450 nan 8.210 nan 0.000 0.448 247 N N 5.571 124.215 118.700 -0.093 0.000 2.482 247 N HA 0.171 4.911 4.740 -0.000 0.000 0.242 247 N C 0.231 175.666 175.510 -0.125 0.000 1.100 247 N CA -0.191 52.822 53.050 -0.062 0.000 0.946 247 N CB 1.096 39.580 38.487 -0.005 0.000 1.227 247 N HN 0.793 nan 8.380 nan 0.000 0.508 248 G N 2.225 110.959 108.800 -0.110 0.000 4.084 248 G HA2 0.375 4.335 3.960 -0.000 0.000 0.293 248 G HA3 0.375 4.335 3.960 -0.000 0.000 0.293 248 G C 1.215 176.060 174.900 -0.090 0.000 1.303 248 G CA 0.126 45.143 45.100 -0.139 0.000 1.289 248 G HN 0.677 nan 8.290 nan 0.000 0.609 249 A N 1.190 123.927 122.820 -0.137 0.000 1.916 249 A HA -0.222 4.098 4.320 -0.000 0.000 0.224 249 A C 1.517 179.143 177.584 0.070 0.000 1.366 249 A CA 2.184 54.189 52.037 -0.053 0.000 0.692 249 A CB -0.754 18.186 19.000 -0.100 0.000 0.841 249 A HN 1.213 nan 8.150 nan 0.000 0.480 250 Y N -4.520 115.786 120.300 0.010 0.000 2.577 250 Y HA 0.764 5.314 4.550 -0.000 0.000 0.307 250 Y C 1.134 177.121 175.900 0.145 0.000 0.940 250 Y CA -0.386 57.761 58.100 0.077 0.000 1.132 250 Y CB -0.578 37.915 38.460 0.056 0.000 1.184 250 Y HN 0.197 nan 8.280 nan 0.000 0.611 251 A N 0.732 123.632 122.820 0.133 0.000 2.021 251 A HA 0.050 4.370 4.320 -0.000 0.000 0.216 251 A C 1.869 179.687 177.584 0.390 0.000 1.163 251 A CA 0.892 53.066 52.037 0.228 0.000 0.676 251 A CB -0.316 18.720 19.000 0.060 0.000 0.818 251 A HN 0.500 nan 8.150 nan 0.000 0.453 252 I N 1.323 122.111 120.570 0.365 0.000 2.163 252 I HA -0.334 3.836 4.170 -0.000 0.000 0.243 252 I C 2.810 179.145 176.117 0.363 0.000 1.085 252 I CA 2.105 63.618 61.300 0.354 0.000 1.347 252 I CB -1.625 36.559 38.000 0.307 0.000 1.044 252 I HN 0.703 nan 8.210 nan 0.000 0.408 253 Q N 0.495 120.517 119.800 0.370 0.000 2.124 253 Q HA -0.129 4.211 4.340 -0.000 0.000 0.202 253 Q C 1.161 177.294 176.000 0.221 0.000 0.977 253 Q CA 1.071 57.057 55.803 0.304 0.000 0.850 253 Q CB -0.287 28.586 28.738 0.226 0.000 0.901 253 Q HN 0.401 nan 8.270 nan 0.000 0.429 254 N N 0.845 119.706 118.700 0.269 0.000 2.438 254 N HA 0.029 4.769 4.740 -0.000 0.000 0.282 254 N C -0.183 175.422 175.510 0.157 0.000 1.037 254 N CA -0.122 53.026 53.050 0.164 0.000 0.942 254 N CB 1.090 39.628 38.487 0.086 0.000 1.136 254 N HN 0.252 nan 8.380 nan 0.000 0.481 255 N N 2.947 121.709 118.700 0.103 0.000 2.289 255 N HA -0.225 4.515 4.740 -0.000 0.000 0.184 255 N C 1.325 176.883 175.510 0.079 0.000 1.016 255 N CA 0.902 54.009 53.050 0.094 0.000 0.872 255 N CB -0.030 38.497 38.487 0.066 0.000 0.973 255 N HN 0.633 nan 8.380 nan 0.000 0.433 256 Y N 0.725 120.970 120.300 -0.091 0.000 2.193 256 Y HA -0.250 4.300 4.550 -0.000 0.000 0.285 256 Y C 1.561 177.416 175.900 -0.075 0.000 1.166 256 Y CA 1.760 59.767 58.100 -0.154 0.000 1.181 256 Y CB -0.621 37.637 38.460 -0.336 0.000 0.976 256 Y HN 0.148 nan 8.280 nan 0.000 0.520 257 Y N -0.998 119.331 120.300 0.049 0.000 2.286 257 Y HA -0.144 4.406 4.550 -0.000 0.000 0.293 257 Y C 2.360 178.248 175.900 -0.020 0.000 1.124 257 Y CA 0.507 58.588 58.100 -0.032 0.000 1.178 257 Y CB -0.144 38.375 38.460 0.097 0.000 1.010 257 Y HN 0.045 nan 8.280 nan 0.000 0.536 258 L N 0.164 121.511 121.223 0.207 0.000 2.042 258 L HA -0.239 4.101 4.340 -0.000 0.000 0.210 258 L C 2.121 179.051 176.870 0.099 0.000 1.076 258 L CA 1.498 56.444 54.840 0.178 0.000 0.749 258 L CB -0.539 41.621 42.059 0.169 0.000 0.893 258 L HN 0.342 nan 8.230 nan 0.000 0.432 259 E N 0.295 120.512 120.200 0.027 0.000 2.051 259 E HA -0.234 4.116 4.350 -0.000 0.000 0.192 259 E C 2.208 178.784 176.600 -0.040 0.000 0.991 259 E CA 1.172 57.566 56.400 -0.011 0.000 0.799 259 E CB -0.048 29.620 29.700 -0.055 0.000 0.748 259 E HN 0.426 nan 8.360 nan 0.000 0.449 260 K N 0.582 120.917 120.400 -0.109 0.000 2.103 260 K HA -0.137 4.183 4.320 -0.000 0.000 0.207 260 K C 2.258 178.803 176.600 -0.093 0.000 1.048 260 K CA 0.878 57.094 56.287 -0.120 0.000 0.930 260 K CB -0.148 32.255 32.500 -0.162 0.000 0.716 260 K HN 0.123 nan 8.250 nan 0.000 0.444 261 L N 1.169 122.353 121.223 -0.065 0.000 1.994 261 L HA -0.226 4.114 4.340 -0.000 0.000 0.208 261 L C 2.329 179.181 176.870 -0.030 0.000 1.071 261 L CA 1.492 56.240 54.840 -0.152 0.000 0.745 261 L CB -0.401 41.676 42.059 0.029 0.000 0.892 261 L HN 0.138 nan 8.230 nan 0.000 0.431 262 K N 0.283 120.764 120.400 0.136 0.000 2.044 262 K HA -0.232 4.088 4.320 -0.000 0.000 0.210 262 K C 2.050 178.738 176.600 0.147 0.000 1.049 262 K CA 1.626 58.033 56.287 0.199 0.000 0.927 262 K CB -0.179 32.395 32.500 0.124 0.000 0.713 262 K HN 0.306 nan 8.250 nan 0.000 0.443 263 K N -0.044 120.400 120.400 0.073 0.000 2.296 263 K HA 0.004 4.324 4.320 -0.000 0.000 0.200 263 K C 1.955 178.629 176.600 0.124 0.000 1.048 263 K CA 0.825 57.164 56.287 0.088 0.000 0.966 263 K CB 0.157 32.684 32.500 0.046 0.000 0.754 263 K HN 0.128 nan 8.250 nan 0.000 0.466 264 A N 0.262 123.092 122.820 0.018 0.000 2.081 264 A HA 0.029 4.349 4.320 -0.000 0.000 0.214 264 A C 1.464 179.067 177.584 0.032 0.000 1.158 264 A CA 0.428 52.459 52.037 -0.010 0.000 0.724 264 A CB -0.262 18.627 19.000 -0.185 0.000 0.826 264 A HN 0.119 nan 8.150 nan 0.000 0.463 265 F N 0.667 120.663 119.950 0.076 0.000 2.502 265 F HA 0.044 4.571 4.527 -0.000 0.000 0.298 265 F C 1.896 177.709 175.800 0.021 0.000 1.111 265 F CA 0.876 58.897 58.000 0.035 0.000 1.445 265 F CB -0.072 38.929 39.000 0.002 0.000 1.081 265 F HN 0.141 nan 8.300 nan 0.000 0.558 266 K N -1.229 119.284 120.400 0.189 0.000 2.555 266 K HA -0.068 4.252 4.320 -0.000 0.000 0.193 266 K C -0.164 176.234 176.600 -0.337 0.000 1.032 266 K CA 0.649 56.898 56.287 -0.063 0.000 1.004 266 K CB 0.079 32.514 32.500 -0.110 0.000 0.804 266 K HN 0.248 nan 8.250 nan 0.000 0.496 267 Y N -0.674 119.663 120.300 0.061 0.000 3.300 267 Y HA 0.310 4.860 4.550 -0.000 0.000 0.297 267 Y C -0.123 175.808 175.900 0.050 0.000 1.747 267 Y CA -1.240 56.882 58.100 0.038 0.000 0.937 267 Y CB 0.297 38.764 38.460 0.013 0.000 1.377 267 Y HN -0.333 nan 8.280 nan 0.000 0.662 268 R N 0.916 121.560 120.500 0.239 0.000 2.210 268 R HA 0.588 4.928 4.340 -0.000 0.000 0.338 268 R C -2.122 174.276 176.300 0.162 0.000 1.062 268 R CA -0.205 55.974 56.100 0.132 0.000 0.902 268 R CB -0.089 30.250 30.300 0.065 0.000 1.050 268 R HN 0.399 nan 8.270 nan 0.000 0.461 269 V N 5.755 125.721 119.914 0.087 0.000 2.637 269 V HA 0.096 4.216 4.120 -0.000 0.000 0.274 269 V C -0.370 175.702 176.094 -0.037 0.000 1.004 269 V CA -0.608 61.676 62.300 -0.026 0.000 0.894 269 V CB 1.594 33.353 31.823 -0.107 0.000 1.046 269 V HN 0.826 nan 8.190 nan 0.000 0.467 270 D N 2.928 123.206 120.400 -0.204 0.000 2.144 270 D HA 0.303 4.943 4.640 -0.000 0.000 0.200 270 D C 0.840 177.073 176.300 -0.112 0.000 0.978 270 D CA 1.737 55.503 54.000 -0.390 0.000 0.833 270 D CB 0.334 40.495 40.800 -1.066 0.000 0.961 270 D HN 0.778 nan 8.370 nan 0.000 0.470 271 A N -0.755 122.018 122.820 -0.078 0.000 2.599 271 A HA 0.552 4.872 4.320 -0.000 0.000 0.294 271 A C -1.664 175.823 177.584 -0.162 0.000 1.055 271 A CA -0.723 51.326 52.037 0.020 0.000 0.683 271 A CB 1.150 20.302 19.000 0.254 0.000 1.278 271 A HN -0.091 nan 8.150 nan 0.000 0.412 272 V N 0.811 120.532 119.914 -0.321 0.000 2.680 272 V HA 0.673 4.793 4.120 -0.000 0.000 0.309 272 V C -0.493 175.407 176.094 -0.322 0.000 1.052 272 V CA -0.612 61.401 62.300 -0.479 0.000 0.908 272 V CB 1.778 33.060 31.823 -0.902 0.000 1.001 272 V HN 0.809 nan 8.190 nan 0.000 0.431 273 V N 3.004 122.859 119.914 -0.098 0.000 2.495 273 V HA 0.666 4.786 4.120 -0.000 0.000 0.298 273 V C -0.096 176.091 176.094 0.155 0.000 1.031 273 V CA -0.174 62.174 62.300 0.080 0.000 0.871 273 V CB 1.984 33.849 31.823 0.071 0.000 0.988 273 V HN 0.922 nan 8.190 nan 0.000 0.432 274 S N 1.911 117.780 115.700 0.282 0.000 2.548 274 S HA 0.546 5.016 4.470 -0.000 0.000 0.286 274 S C -0.329 174.389 174.600 0.198 0.000 1.098 274 S CA -0.670 57.686 58.200 0.260 0.000 0.930 274 S CB 2.056 65.488 63.200 0.388 0.000 1.070 274 S HN 0.765 nan 8.310 nan 0.000 0.480 275 S N 1.858 117.653 115.700 0.158 0.000 2.499 275 S HA 0.130 4.600 4.470 -0.000 0.000 0.275 275 S C 1.486 176.155 174.600 0.116 0.000 1.257 275 S CA -0.581 57.696 58.200 0.127 0.000 1.050 275 S CB 1.128 64.400 63.200 0.120 0.000 0.937 275 S HN 0.824 nan 8.310 nan 0.000 0.490 276 S N 1.873 117.626 115.700 0.087 0.000 2.402 276 S HA -0.189 4.281 4.470 -0.000 0.000 0.229 276 S C 1.452 176.077 174.600 0.042 0.000 1.021 276 S CA 1.092 59.322 58.200 0.049 0.000 0.974 276 S CB -0.437 62.782 63.200 0.032 0.000 0.800 276 S HN 0.864 nan 8.310 nan 0.000 0.484 277 D N 1.894 122.329 120.400 0.058 0.000 2.123 277 D HA -0.131 4.509 4.640 -0.000 0.000 0.200 277 D C 1.663 178.001 176.300 0.064 0.000 0.976 277 D CA 0.944 54.976 54.000 0.053 0.000 0.831 277 D CB -0.439 40.395 40.800 0.056 0.000 0.974 277 D HN 0.433 nan 8.370 nan 0.000 0.469 278 K N -0.118 120.334 120.400 0.088 0.000 2.288 278 K HA 0.052 4.372 4.320 -0.000 0.000 0.201 278 K C 1.603 178.279 176.600 0.126 0.000 1.048 278 K CA 0.602 56.948 56.287 0.098 0.000 0.956 278 K CB 0.188 32.773 32.500 0.141 0.000 0.746 278 K HN 0.181 nan 8.250 nan 0.000 0.461 279 N N -0.254 118.530 118.700 0.139 0.000 2.397 279 N HA 0.084 4.823 4.740 -0.000 0.000 0.190 279 N C 1.108 176.720 175.510 0.170 0.000 1.099 279 N CA 0.480 53.643 53.050 0.188 0.000 0.876 279 N CB 0.705 39.316 38.487 0.206 0.000 1.143 279 N HN 0.067 nan 8.380 nan 0.000 0.468 280 L N 1.297 122.552 121.223 0.054 0.000 2.808 280 L HA 0.366 4.706 4.340 -0.000 0.000 0.246 280 L C -0.093 176.785 176.870 0.013 0.000 1.153 280 L CA -0.010 54.818 54.840 -0.020 0.000 0.956 280 L CB 0.219 42.176 42.059 -0.169 0.000 1.270 280 L HN 0.003 nan 8.230 nan 0.000 0.528 281 L N 0.507 121.755 121.223 0.042 0.000 3.746 281 L HA -0.228 4.112 4.340 -0.000 0.000 0.542 281 L C 0.089 176.967 176.870 0.015 0.000 1.268 281 L CA 0.268 55.127 54.840 0.031 0.000 0.818 281 L CB -2.044 40.036 42.059 0.034 0.000 1.472 281 L HN 0.273 nan 8.230 nan 0.000 0.843 282 T N 0.799 115.362 114.554 0.015 0.000 2.940 282 T HA 0.667 5.017 4.350 -0.000 0.000 0.288 282 T C -2.238 172.476 174.700 0.023 0.000 1.033 282 T CA -1.441 60.666 62.100 0.011 0.000 1.033 282 T CB 2.027 70.897 68.868 0.003 0.000 1.079 282 T HN 0.227 nan 8.240 nan 0.000 0.496 283 P HA 0.269 nan 4.420 nan 0.000 0.275 283 P C -0.049 177.272 177.300 0.035 0.000 1.228 283 P CA -0.331 62.786 63.100 0.029 0.000 0.786 283 P CB 0.437 32.152 31.700 0.026 0.000 0.927 284 I N 1.206 121.802 120.570 0.042 0.000 2.919 284 I HA -0.007 4.163 4.170 -0.000 0.000 0.303 284 I C 1.689 177.835 176.117 0.049 0.000 1.221 284 I CA 1.860 63.191 61.300 0.051 0.000 1.444 284 I CB -0.331 37.703 38.000 0.057 0.000 1.331 284 I HN 0.812 nan 8.210 nan 0.000 0.572 285 G N 3.871 112.704 108.800 0.054 0.000 2.935 285 G HA2 -0.030 3.930 3.960 -0.000 0.000 0.213 285 G HA3 -0.030 3.930 3.960 -0.000 0.000 0.213 285 G C 0.061 174.990 174.900 0.049 0.000 0.984 285 G CA -0.201 44.930 45.100 0.052 0.000 0.790 285 G HN 0.993 nan 8.290 nan 0.000 0.538 286 G N -0.776 108.054 108.800 0.049 0.000 2.685 286 G HA2 0.868 4.828 3.960 -0.000 0.000 0.298 286 G HA3 0.868 4.828 3.960 -0.000 0.000 0.298 286 G C -0.089 174.852 174.900 0.068 0.000 1.277 286 G CA -0.074 45.053 45.100 0.047 0.000 0.986 286 G HN 1.225 nan 8.290 nan 0.000 0.487 287 G N -1.656 107.192 108.800 0.079 0.000 2.766 287 G HA2 0.648 4.608 3.960 -0.000 0.000 0.288 287 G HA3 0.648 4.608 3.960 -0.000 0.000 0.288 287 G C -1.676 173.311 174.900 0.144 0.000 1.408 287 G CA -0.808 44.361 45.100 0.114 0.000 0.852 287 G HN 0.728 nan 8.290 nan 0.000 0.487 288 L N 0.364 121.713 121.223 0.209 0.000 2.482 288 L HA 0.527 4.867 4.340 -0.000 0.000 0.269 288 L C -0.798 176.327 176.870 0.425 0.000 0.967 288 L CA -0.872 54.143 54.840 0.292 0.000 0.851 288 L CB 2.085 44.322 42.059 0.297 0.000 1.242 288 L HN 0.258 nan 8.230 nan 0.000 0.404 289 V N 3.172 123.316 119.914 0.383 0.000 2.513 289 V HA 0.664 4.784 4.120 -0.000 0.000 0.299 289 V C -0.826 175.532 176.094 0.442 0.000 1.035 289 V CA -0.653 61.855 62.300 0.348 0.000 0.889 289 V CB 1.601 33.541 31.823 0.195 0.000 0.988 289 V HN 0.696 nan 8.190 nan 0.000 0.440 290 Y N 1.557 121.894 120.300 0.061 0.000 2.641 290 Y HA 0.864 5.414 4.550 -0.000 0.000 0.333 290 Y C -0.436 175.483 175.900 0.031 0.000 1.174 290 Y CA -0.533 57.544 58.100 -0.039 0.000 1.057 290 Y CB 1.676 39.936 38.460 -0.334 0.000 1.322 290 Y HN 0.781 nan 8.280 nan 0.000 0.457 291 S N -0.956 114.764 115.700 0.032 0.000 2.669 291 S HA 0.314 4.784 4.470 -0.000 0.000 0.266 291 S C -0.128 174.348 174.600 -0.206 0.000 1.149 291 S CA -0.297 57.871 58.200 -0.054 0.000 0.842 291 S CB 0.805 64.088 63.200 0.138 0.000 1.160 291 S HN 1.371 nan 8.310 nan 0.000 0.487 292 T N -2.056 112.353 114.554 -0.241 0.000 3.107 292 T HA 0.246 4.596 4.350 -0.000 0.000 0.249 292 T C 0.021 174.779 174.700 0.096 0.000 1.096 292 T CA 0.595 62.595 62.100 -0.168 0.000 1.012 292 T CB -0.436 68.307 68.868 -0.208 0.000 0.977 292 T HN 0.573 nan 8.240 nan 0.000 0.527 293 D N 1.381 121.866 120.400 0.141 0.000 2.456 293 D HA 0.563 5.203 4.640 -0.000 0.000 0.219 293 D C 1.250 177.626 176.300 0.126 0.000 1.126 293 D CA -0.282 53.814 54.000 0.159 0.000 0.890 293 D CB 1.106 42.010 40.800 0.173 0.000 1.025 293 D HN 0.209 nan 8.370 nan 0.000 0.511 294 A N 3.954 126.744 122.820 -0.051 0.000 2.024 294 A HA -0.194 4.126 4.320 -0.000 0.000 0.220 294 A C 1.844 179.331 177.584 -0.162 0.000 1.164 294 A CA 1.286 53.047 52.037 -0.459 0.000 0.643 294 A CB -0.198 18.254 19.000 -0.913 0.000 0.806 294 A HN 0.638 nan 8.150 nan 0.000 0.451 295 E N -1.518 118.662 120.200 -0.033 0.000 2.051 295 E HA -0.166 4.184 4.350 -0.000 0.000 0.192 295 E C 1.712 178.354 176.600 0.070 0.000 0.991 295 E CA 1.262 57.672 56.400 0.016 0.000 0.799 295 E CB -0.264 29.473 29.700 0.063 0.000 0.748 295 E HN 0.675 nan 8.360 nan 0.000 0.449 296 F N 0.816 120.771 119.950 0.009 0.000 2.293 296 F HA -0.088 4.439 4.527 -0.000 0.000 0.300 296 F C 1.914 177.728 175.800 0.023 0.000 1.086 296 F CA 0.669 58.693 58.000 0.039 0.000 1.375 296 F CB 0.105 39.164 39.000 0.098 0.000 1.045 296 F HN -0.075 nan 8.300 nan 0.000 0.516 297 I N 0.254 120.842 120.570 0.029 0.000 2.546 297 I HA -0.228 3.942 4.170 -0.000 0.000 0.255 297 I C 2.137 178.194 176.117 -0.099 0.000 1.163 297 I CA 1.276 62.558 61.300 -0.030 0.000 1.457 297 I CB -0.465 37.553 38.000 0.029 0.000 1.092 297 I HN -0.013 nan 8.210 nan 0.000 0.434 298 K N -0.191 120.145 120.400 -0.108 0.000 2.057 298 K HA -0.202 4.118 4.320 -0.000 0.000 0.206 298 K C 2.057 178.580 176.600 -0.128 0.000 1.050 298 K CA 1.285 57.511 56.287 -0.103 0.000 0.935 298 K CB -0.130 32.316 32.500 -0.091 0.000 0.715 298 K HN 0.077 nan 8.250 nan 0.000 0.439 299 E N 1.450 121.533 120.200 -0.196 0.000 2.150 299 E HA -0.100 4.250 4.350 -0.000 0.000 0.193 299 E C 1.653 178.100 176.600 -0.256 0.000 0.985 299 E CA 0.979 57.239 56.400 -0.234 0.000 0.814 299 E CB -0.118 29.394 29.700 -0.314 0.000 0.752 299 E HN 0.241 nan 8.360 nan 0.000 0.466 300 I N 0.448 120.822 120.570 -0.327 0.000 2.286 300 I HA -0.245 3.924 4.170 -0.000 0.000 0.248 300 I C 2.136 178.205 176.117 -0.080 0.000 1.115 300 I CA 1.388 62.550 61.300 -0.231 0.000 1.392 300 I CB -0.383 37.496 38.000 -0.202 0.000 1.065 300 I HN 0.162 nan 8.210 nan 0.000 0.418 301 S N 0.765 116.431 115.700 -0.055 0.000 2.555 301 S HA 0.039 4.508 4.470 -0.000 0.000 0.230 301 S C 1.414 176.026 174.600 0.019 0.000 0.978 301 S CA 0.420 58.625 58.200 0.008 0.000 0.934 301 S CB -0.448 62.763 63.200 0.018 0.000 0.766 301 S HN 0.463 nan 8.310 nan 0.000 0.533 302 L N 1.019 122.230 121.223 -0.019 0.000 2.872 302 L HA 0.388 4.728 4.340 -0.000 0.000 0.245 302 L C 0.936 177.800 176.870 -0.010 0.000 1.211 302 L CA -0.167 54.666 54.840 -0.010 0.000 1.013 302 L CB 0.075 42.110 42.059 -0.040 0.000 1.326 302 L HN 0.223 nan 8.230 nan 0.000 0.525 303 S N -1.424 114.281 115.700 0.009 0.000 2.559 303 S HA 0.105 4.575 4.470 -0.000 0.000 0.226 303 S C 0.051 174.675 174.600 0.040 0.000 1.000 303 S CA -0.291 57.908 58.200 -0.002 0.000 0.948 303 S CB 0.150 63.332 63.200 -0.029 0.000 0.870 303 S HN 0.323 nan 8.310 nan 0.000 0.497 304 Y N 5.599 125.882 120.300 -0.029 0.000 2.477 304 Y HA 0.325 4.875 4.550 -0.000 0.000 0.349 304 Y C -2.594 173.299 175.900 -0.012 0.000 0.977 304 Y CA -2.820 55.272 58.100 -0.014 0.000 1.214 304 Y CB 0.545 39.007 38.460 0.004 0.000 1.124 304 Y HN 0.040 nan 8.280 nan 0.000 0.521 305 P HA 0.218 nan 4.420 nan 0.000 0.265 305 P C 0.395 177.578 177.300 -0.196 0.000 1.222 305 P CA 1.089 64.061 63.100 -0.212 0.000 0.767 305 P CB 0.550 32.122 31.700 -0.215 0.000 0.801 306 G N 3.700 112.492 108.800 -0.013 0.000 2.698 306 G HA2 -0.180 3.780 3.960 -0.000 0.000 0.225 306 G HA3 -0.180 3.780 3.960 -0.000 0.000 0.225 306 G C -0.884 174.138 174.900 0.204 0.000 1.345 306 G CA -0.891 44.245 45.100 0.061 0.000 0.871 306 G HN 0.650 nan 8.290 nan 0.000 0.540 307 R N 0.003 120.608 120.500 0.174 0.000 2.404 307 R HA 0.654 4.994 4.340 -0.000 0.000 0.291 307 R C 0.677 177.103 176.300 0.210 0.000 1.025 307 R CA 0.173 56.372 56.100 0.166 0.000 0.991 307 R CB 1.380 31.739 30.300 0.098 0.000 1.053 307 R HN 1.076 nan 8.270 nan 0.000 0.479 308 A N 1.500 124.361 122.820 0.069 0.000 2.281 308 A HA 0.396 4.716 4.320 -0.000 0.000 0.329 308 A C -0.119 177.431 177.584 -0.057 0.000 1.122 308 A CA -0.544 51.464 52.037 -0.048 0.000 0.850 308 A CB 1.483 20.207 19.000 -0.461 0.000 1.207 308 A HN 0.632 nan 8.150 nan 0.000 0.495 309 S N -0.494 115.180 115.700 -0.042 0.000 2.579 309 S HA 0.393 4.863 4.470 -0.000 0.000 0.275 309 S C 1.160 175.715 174.600 -0.075 0.000 1.345 309 S CA 0.120 58.307 58.200 -0.021 0.000 1.031 309 S CB 0.895 64.101 63.200 0.009 0.000 0.892 309 S HN 1.460 nan 8.310 nan 0.000 0.529 310 A N 3.544 126.348 122.820 -0.027 0.000 1.943 310 A HA 0.121 4.441 4.320 -0.000 0.000 0.213 310 A C 2.142 179.720 177.584 -0.010 0.000 1.181 310 A CA 1.338 53.341 52.037 -0.057 0.000 0.653 310 A CB -1.522 17.511 19.000 0.055 0.000 0.833 310 A HN 0.882 nan 8.150 nan 0.000 0.451 311 T N 1.618 116.201 114.554 0.047 0.000 2.602 311 T HA -0.184 4.166 4.350 -0.000 0.000 0.264 311 T C -0.209 174.507 174.700 0.027 0.000 1.085 311 T CA 2.296 64.428 62.100 0.054 0.000 1.164 311 T CB -1.497 67.400 68.868 0.047 0.000 0.860 311 T HN 0.504 nan 8.240 nan 0.000 0.442 312 P HA 0.038 nan 4.420 nan 0.000 0.220 312 P C 1.568 178.863 177.300 -0.007 0.000 1.148 312 P CA 0.768 63.868 63.100 -0.000 0.000 0.803 312 P CB -0.249 31.448 31.700 -0.006 0.000 0.782 313 V N -0.137 119.751 119.914 -0.043 0.000 2.548 313 V HA -0.130 3.990 4.120 -0.000 0.000 0.249 313 V C 2.758 178.865 176.094 0.022 0.000 1.055 313 V CA 1.304 63.582 62.300 -0.036 0.000 1.065 313 V CB -0.891 30.816 31.823 -0.193 0.000 0.681 313 V HN -0.050 nan 8.190 nan 0.000 0.462 314 V N 0.364 120.304 119.914 0.043 0.000 2.453 314 V HA -0.159 3.961 4.120 -0.000 0.000 0.247 314 V C 2.326 178.466 176.094 0.076 0.000 1.048 314 V CA 1.648 64.013 62.300 0.108 0.000 1.049 314 V CB -0.745 31.194 31.823 0.193 0.000 0.672 314 V HN 0.532 nan 8.190 nan 0.000 0.457 315 N N 0.213 118.942 118.700 0.048 0.000 2.205 315 N HA -0.140 4.600 4.740 -0.000 0.000 0.186 315 N C 1.883 177.396 175.510 0.004 0.000 1.015 315 N CA 1.909 54.975 53.050 0.027 0.000 0.862 315 N CB -0.306 38.194 38.487 0.021 0.000 0.986 315 N HN 0.436 nan 8.380 nan 0.000 0.429 316 T N 1.107 115.661 114.554 0.000 0.000 2.904 316 T HA -0.033 4.317 4.350 -0.000 0.000 0.267 316 T C 1.894 176.560 174.700 -0.057 0.000 1.059 316 T CA 0.275 62.352 62.100 -0.038 0.000 1.137 316 T CB -0.087 68.770 68.868 -0.019 0.000 0.879 316 T HN 0.085 nan 8.240 nan 0.000 0.467 317 L N 1.285 122.508 121.223 -0.001 0.000 2.072 317 L HA 0.062 4.402 4.340 -0.000 0.000 0.205 317 L C 2.370 179.229 176.870 -0.019 0.000 1.079 317 L CA 1.403 56.247 54.840 0.007 0.000 0.752 317 L CB -0.745 41.374 42.059 0.100 0.000 0.906 317 L HN 0.030 nan 8.230 nan 0.000 0.436 318 V N -0.756 119.164 119.914 0.010 0.000 2.332 318 V HA -0.297 3.823 4.120 -0.000 0.000 0.248 318 V C 2.651 178.715 176.094 -0.050 0.000 1.055 318 V CA 1.928 64.225 62.300 -0.005 0.000 1.038 318 V CB -0.707 31.126 31.823 0.017 0.000 0.651 318 V HN 0.521 nan 8.190 nan 0.000 0.450 319 S N -0.149 115.509 115.700 -0.069 0.000 2.359 319 S HA -0.145 4.325 4.470 -0.000 0.000 0.224 319 S C 1.879 176.385 174.600 -0.157 0.000 1.035 319 S CA 1.672 59.811 58.200 -0.101 0.000 1.018 319 S CB -0.367 62.757 63.200 -0.125 0.000 0.876 319 S HN 0.478 nan 8.310 nan 0.000 0.448 320 L N 0.967 122.059 121.223 -0.217 0.000 2.046 320 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 320 L C 2.175 178.945 176.870 -0.166 0.000 1.077 320 L CA 1.075 55.756 54.840 -0.265 0.000 0.747 320 L CB -0.535 41.357 42.059 -0.279 0.000 0.896 320 L HN 0.299 nan 8.230 nan 0.000 0.432 321 L N -1.501 119.634 121.223 -0.147 0.000 2.131 321 L HA -0.027 4.313 4.340 -0.000 0.000 0.206 321 L C 1.848 178.651 176.870 -0.112 0.000 1.087 321 L CA 0.014 54.762 54.840 -0.154 0.000 0.767 321 L CB -0.308 41.625 42.059 -0.211 0.000 0.917 321 L HN 0.171 nan 8.230 nan 0.000 0.441 325 S N 0.190 115.938 115.700 0.080 0.000 2.368 325 S HA -0.123 4.347 4.470 -0.000 0.000 0.225 325 S C 2.019 176.694 174.600 0.125 0.000 1.030 325 S CA 1.797 60.064 58.200 0.112 0.000 0.999 325 S CB -0.237 62.991 63.200 0.047 0.000 0.844 325 S HN 0.701 nan 8.310 nan 0.000 0.459 326 K N 1.698 122.143 120.400 0.075 0.000 1.969 326 K HA -0.158 4.162 4.320 -0.000 0.000 0.216 326 K C 2.102 178.747 176.600 0.076 0.000 1.048 326 K CA 1.854 58.176 56.287 0.058 0.000 0.948 326 K CB -0.630 31.888 32.500 0.031 0.000 0.726 326 K HN 0.525 nan 8.250 nan 0.000 0.442 327 N N -0.845 117.898 118.700 0.072 0.000 2.133 327 N HA -0.256 4.484 4.740 -0.000 0.000 0.193 327 N C 1.845 177.411 175.510 0.093 0.000 1.012 327 N CA 1.525 54.614 53.050 0.065 0.000 0.871 327 N CB -0.219 38.303 38.487 0.059 0.000 1.011 327 N HN 0.257 nan 8.380 nan 0.000 0.435 328 Y N 1.601 121.925 120.300 0.041 0.000 2.145 328 Y HA -0.104 4.446 4.550 -0.000 0.000 0.286 328 Y C 2.030 177.959 175.900 0.048 0.000 1.145 328 Y CA 1.246 59.388 58.100 0.070 0.000 1.148 328 Y CB -0.305 38.251 38.460 0.161 0.000 0.981 328 Y HN 0.021 nan 8.280 nan 0.000 0.507 329 L N -0.224 121.068 121.223 0.114 0.000 2.079 329 L HA -0.226 4.114 4.340 -0.000 0.000 0.210 329 L C 2.367 179.210 176.870 -0.045 0.000 1.081 329 L CA 1.333 56.188 54.840 0.024 0.000 0.752 329 L CB -0.537 41.551 42.059 0.048 0.000 0.896 329 L HN 0.228 nan 8.230 nan 0.000 0.433 330 E N 0.305 120.484 120.200 -0.035 0.000 2.077 330 E HA -0.179 4.171 4.350 -0.000 0.000 0.193 330 E C 2.365 178.913 176.600 -0.087 0.000 0.989 330 E CA 1.052 57.425 56.400 -0.045 0.000 0.800 330 E CB -0.353 29.332 29.700 -0.025 0.000 0.746 330 E HN 0.489 nan 8.360 nan 0.000 0.452 331 L N 0.468 121.604 121.223 -0.145 0.000 2.012 331 L HA -0.191 4.149 4.340 -0.000 0.000 0.210 331 L C 2.574 179.325 176.870 -0.199 0.000 1.073 331 L CA 0.981 55.706 54.840 -0.192 0.000 0.748 331 L CB -0.589 41.286 42.059 -0.306 0.000 0.891 331 L HN 0.001 nan 8.230 nan 0.000 0.431 332 V N -0.205 119.555 119.914 -0.257 0.000 2.407 332 V HA -0.273 3.847 4.120 -0.000 0.000 0.248 332 V C 2.609 178.651 176.094 -0.086 0.000 1.055 332 V CA 1.630 63.830 62.300 -0.166 0.000 1.049 332 V CB -0.560 31.180 31.823 -0.139 0.000 0.662 332 V HN 0.419 nan 8.190 nan 0.000 0.455 333 K N 0.358 120.714 120.400 -0.073 0.000 2.025 333 K HA -0.157 4.163 4.320 -0.000 0.000 0.207 333 K C 1.962 178.536 176.600 -0.043 0.000 1.049 333 K CA 1.455 57.715 56.287 -0.044 0.000 0.933 333 K CB -0.320 32.160 32.500 -0.034 0.000 0.714 333 K HN 0.416 nan 8.250 nan 0.000 0.438 334 N N 1.405 120.074 118.700 -0.051 0.000 2.223 334 N HA -0.175 4.565 4.740 -0.000 0.000 0.185 334 N C 1.736 177.222 175.510 -0.040 0.000 1.016 334 N CA 0.772 53.797 53.050 -0.042 0.000 0.863 334 N CB -0.260 38.200 38.487 -0.045 0.000 0.983 334 N HN 0.322 nan 8.380 nan 0.000 0.429 335 Q N 1.203 120.973 119.800 -0.051 0.000 2.170 335 Q HA -0.085 4.255 4.340 -0.000 0.000 0.203 335 Q C 1.437 177.418 176.000 -0.031 0.000 0.976 335 Q CA 1.112 56.890 55.803 -0.042 0.000 0.858 335 Q CB 0.112 28.820 28.738 -0.050 0.000 0.907 335 Q HN 0.163 nan 8.270 nan 0.000 0.433 336 K N 0.628 121.009 120.400 -0.031 0.000 2.097 336 K HA -0.078 4.242 4.320 -0.000 0.000 0.206 336 K C 1.675 178.261 176.600 -0.022 0.000 1.049 336 K CA 0.996 57.267 56.287 -0.025 0.000 0.933 336 K CB -0.110 32.377 32.500 -0.022 0.000 0.717 336 K HN 0.286 nan 8.250 nan 0.000 0.442 337 N N 0.345 119.031 118.700 -0.023 0.000 2.216 337 N HA -0.063 4.677 4.740 -0.000 0.000 0.183 337 N C 1.804 177.304 175.510 -0.017 0.000 1.017 337 N CA 0.841 53.879 53.050 -0.020 0.000 0.861 337 N CB -0.263 38.212 38.487 -0.020 0.000 0.986 337 N HN -0.004 nan 8.380 nan 0.000 0.428 338 S N 0.638 116.327 115.700 -0.017 0.000 2.383 338 S HA -0.022 4.448 4.470 -0.000 0.000 0.227 338 S C 1.808 176.405 174.600 -0.005 0.000 1.026 338 S CA 0.810 59.003 58.200 -0.012 0.000 0.981 338 S CB 0.106 63.298 63.200 -0.014 0.000 0.818 338 S HN 0.229 nan 8.310 nan 0.000 0.472 339 K N 1.728 122.124 120.400 -0.007 0.000 2.103 339 K HA 0.012 4.332 4.320 -0.000 0.000 0.204 339 K C 2.142 178.746 176.600 0.007 0.000 1.052 339 K CA 0.977 57.266 56.287 0.004 0.000 0.945 339 K CB -0.233 32.262 32.500 -0.007 0.000 0.722 339 K HN 0.303 nan 8.250 nan 0.000 0.443 340 K N 0.881 121.275 120.400 -0.009 0.000 2.026 340 K HA -0.096 4.224 4.320 -0.000 0.000 0.208 340 K C 2.221 178.806 176.600 -0.024 0.000 1.048 340 K CA 0.860 57.136 56.287 -0.019 0.000 0.929 340 K CB -0.144 32.342 32.500 -0.024 0.000 0.713 340 K HN 0.072 nan 8.250 nan 0.000 0.439 341 L N 1.350 122.563 121.223 -0.017 0.000 1.994 341 L HA -0.200 4.140 4.340 -0.000 0.000 0.208 341 L C 2.414 179.278 176.870 -0.010 0.000 1.071 341 L CA 1.381 56.211 54.840 -0.018 0.000 0.745 341 L CB -0.499 41.554 42.059 -0.011 0.000 0.892 341 L HN 0.430 nan 8.230 nan 0.000 0.431 342 L N -0.112 121.118 121.223 0.012 0.000 1.997 342 L HA -0.347 3.993 4.340 -0.000 0.000 0.216 342 L C 2.356 179.259 176.870 0.056 0.000 1.074 342 L CA 2.191 57.056 54.840 0.041 0.000 0.763 342 L CB -0.586 41.510 42.059 0.061 0.000 0.890 342 L HN 0.401 nan 8.230 nan 0.000 0.434 343 D N -0.376 120.056 120.400 0.053 0.000 2.104 343 D HA -0.239 4.401 4.640 -0.000 0.000 0.194 343 D C 1.987 178.125 176.300 -0.270 0.000 0.994 343 D CA 1.782 55.772 54.000 -0.016 0.000 0.830 343 D CB -0.196 40.615 40.800 0.018 0.000 0.959 343 D HN 0.651 nan 8.370 nan 0.000 0.452 344 E N 0.564 120.661 120.200 -0.172 0.000 2.208 344 E HA -0.094 4.256 4.350 -0.000 0.000 0.193 344 E C 2.277 178.798 176.600 -0.131 0.000 0.988 344 E CA 0.476 56.767 56.400 -0.181 0.000 0.828 344 E CB -0.382 29.248 29.700 -0.117 0.000 0.763 344 E HN 0.268 nan 8.360 nan 0.000 0.478 345 L N 0.608 121.787 121.223 -0.072 0.000 2.068 345 L HA -0.060 4.280 4.340 -0.000 0.000 0.204 345 L C 2.662 179.521 176.870 -0.018 0.000 1.076 345 L CA 0.688 55.508 54.840 -0.034 0.000 0.753 345 L CB -0.311 41.745 42.059 -0.005 0.000 0.910 345 L HN 0.185 nan 8.230 nan 0.000 0.439 346 L N -0.284 120.948 121.223 0.016 0.000 2.083 346 L HA -0.221 4.119 4.340 -0.000 0.000 0.209 346 L C 2.462 179.363 176.870 0.051 0.000 1.083 346 L CA 0.993 55.898 54.840 0.107 0.000 0.752 346 L CB -0.604 41.640 42.059 0.310 0.000 0.899 346 L HN 0.404 nan 8.230 nan 0.000 0.433 347 N N 0.427 119.006 118.700 -0.203 0.000 2.084 347 N HA -0.245 4.495 4.740 -0.000 0.000 0.190 347 N C 1.539 176.984 175.510 -0.109 0.000 1.030 347 N CA 1.971 54.847 53.050 -0.290 0.000 0.849 347 N CB -0.054 38.100 38.487 -0.554 0.000 1.012 347 N HN 0.337 nan 8.380 nan 0.000 0.423 348 D N 0.083 120.425 120.400 -0.097 0.000 2.144 348 D HA -0.140 4.500 4.640 -0.000 0.000 0.199 348 D C 2.075 178.365 176.300 -0.017 0.000 0.984 348 D CA 0.509 54.477 54.000 -0.052 0.000 0.834 348 D CB -0.113 40.658 40.800 -0.048 0.000 0.955 348 D HN 0.131 nan 8.370 nan 0.000 0.465 349 L N 0.342 121.565 121.223 -0.000 0.000 2.131 349 L HA -0.097 4.243 4.340 -0.000 0.000 0.210 349 L C 2.236 179.126 176.870 0.033 0.000 1.092 349 L CA 2.100 56.954 54.840 0.022 0.000 0.759 349 L CB -0.835 41.248 42.059 0.040 0.000 0.903 349 L HN 0.210 nan 8.230 nan 0.000 0.435 350 S N -1.818 113.910 115.700 0.046 0.000 2.406 350 S HA -0.120 4.350 4.470 -0.000 0.000 0.228 350 S C 1.979 176.598 174.600 0.032 0.000 1.020 350 S CA 0.388 58.621 58.200 0.055 0.000 0.965 350 S CB -0.441 62.818 63.200 0.098 0.000 0.798 350 S HN 0.358 nan 8.310 nan 0.000 0.488 351 K N 2.406 122.815 120.400 0.015 0.000 2.097 351 K HA -0.076 4.244 4.320 -0.000 0.000 0.206 351 K C 1.858 178.464 176.600 0.010 0.000 1.049 351 K CA 1.592 57.883 56.287 0.007 0.000 0.933 351 K CB -0.313 32.183 32.500 -0.006 0.000 0.717 351 K HN 0.804 nan 8.250 nan 0.000 0.442 352 K N -0.578 119.829 120.400 0.010 0.000 2.397 352 K HA 0.172 4.492 4.320 -0.000 0.000 0.202 352 K C 1.183 177.792 176.600 0.016 0.000 1.022 352 K CA 0.228 56.521 56.287 0.011 0.000 1.141 352 K CB 0.638 33.142 32.500 0.007 0.000 0.857 352 K HN -0.230 nan 8.250 nan 0.000 0.514 353 T N -0.121 114.446 114.554 0.021 0.000 3.071 353 T HA 0.183 4.533 4.350 -0.000 0.000 0.239 353 T C 1.072 175.787 174.700 0.026 0.000 0.997 353 T CA 0.937 63.052 62.100 0.025 0.000 1.134 353 T CB 0.525 69.413 68.868 0.032 0.000 0.928 353 T HN 0.537 nan 8.240 nan 0.000 0.453 354 G N -0.083 108.733 108.800 0.027 0.000 4.470 354 G HA2 0.414 4.374 3.960 -0.000 0.000 0.220 354 G HA3 0.414 4.374 3.960 -0.000 0.000 0.220 354 G C 0.491 175.409 174.900 0.030 0.000 0.780 354 G CA 0.128 45.245 45.100 0.028 0.000 0.977 354 G HN 0.877 nan 8.290 nan 0.000 0.749 355 G N 0.170 108.988 108.800 0.030 0.000 2.855 355 G HA2 0.347 4.307 3.960 -0.000 0.000 0.352 355 G HA3 0.347 4.307 3.960 -0.000 0.000 0.352 355 G C 0.057 174.972 174.900 0.024 0.000 1.415 355 G CA 0.467 45.587 45.100 0.032 0.000 0.871 355 G HN 1.846 nan 8.290 nan 0.000 0.543 356 K N -2.508 117.910 120.400 0.030 0.000 5.384 356 K HA -0.084 4.236 4.320 -0.000 0.000 0.808 356 K C -0.751 175.855 176.600 0.011 0.000 1.522 356 K CA 1.007 57.288 56.287 -0.011 0.000 1.573 356 K CB -1.545 30.879 32.500 -0.126 0.000 2.342 356 K HN 1.898 nan 8.250 nan 0.000 0.297 357 F N 6.114 126.023 119.950 -0.070 0.000 2.334 357 F HA 0.417 4.944 4.527 -0.000 0.000 0.365 357 F C 0.350 176.107 175.800 -0.070 0.000 1.124 357 F CA -0.914 57.053 58.000 -0.056 0.000 1.166 357 F CB 0.318 39.298 39.000 -0.034 0.000 1.355 357 F HN 0.353 nan 8.300 nan 0.000 0.532 358 L N 4.061 125.040 121.223 -0.408 0.000 2.573 358 L HA -0.087 4.253 4.340 -0.000 0.000 0.290 358 L C 0.293 176.964 176.870 -0.332 0.000 1.247 358 L CA 0.376 55.014 54.840 -0.338 0.000 0.876 358 L CB 0.119 41.982 42.059 -0.327 0.000 1.123 358 L HN 0.522 nan 8.230 nan 0.000 0.505 359 D N 2.952 123.267 120.400 -0.140 0.000 2.468 359 D HA 0.363 5.003 4.640 -0.000 0.000 0.218 359 D C -0.677 175.577 176.300 -0.077 0.000 1.155 359 D CA -0.208 53.745 54.000 -0.079 0.000 0.924 359 D CB 0.480 41.275 40.800 -0.008 0.000 1.029 359 D HN 0.236 nan 8.370 nan 0.000 0.515 360 V N 0.886 120.729 119.914 -0.118 0.000 2.823 360 V HA 0.461 4.581 4.120 -0.000 0.000 0.312 360 V C 1.200 177.253 176.094 -0.069 0.000 1.072 360 V CA -0.882 61.370 62.300 -0.080 0.000 0.937 360 V CB 1.972 33.733 31.823 -0.104 0.000 1.013 360 V HN 0.386 nan 8.190 nan 0.000 0.430 361 E N 1.856 122.033 120.200 -0.039 0.000 2.204 361 E HA -0.081 4.269 4.350 -0.000 0.000 0.194 361 E C 1.260 177.779 176.600 -0.134 0.000 0.989 361 E CA 0.847 57.205 56.400 -0.070 0.000 0.824 361 E CB 0.151 29.860 29.700 0.016 0.000 0.756 361 E HN 0.883 nan 8.360 nan 0.000 0.477 362 S N 1.423 117.101 115.700 -0.037 0.000 2.626 362 S HA -0.024 4.446 4.470 -0.000 0.000 0.303 362 S C -1.440 173.083 174.600 -0.128 0.000 1.256 362 S CA -0.718 57.477 58.200 -0.009 0.000 1.069 362 S CB 0.954 64.192 63.200 0.062 0.000 0.807 362 S HN 0.200 nan 8.310 nan 0.000 0.500 363 P HA 0.090 nan 4.420 nan 0.000 0.245 363 P C 0.974 178.218 177.300 -0.094 0.000 1.203 363 P CA 0.364 63.315 63.100 -0.248 0.000 0.792 363 P CB -0.020 31.431 31.700 -0.414 0.000 0.997 364 I N -3.634 116.924 120.570 -0.019 0.000 4.139 364 I HA 0.512 4.682 4.170 -0.000 0.000 0.320 364 I C 0.532 176.639 176.117 -0.017 0.000 1.290 364 I CA -0.400 60.892 61.300 -0.014 0.000 1.253 364 I CB 0.109 38.098 38.000 -0.019 0.000 1.122 364 I HN -0.208 nan 8.210 nan 0.000 0.421 365 A N 0.768 123.589 122.820 0.002 0.000 2.401 365 A HA 0.877 5.197 4.320 -0.000 0.000 0.310 365 A C -0.363 177.229 177.584 0.014 0.000 1.075 365 A CA 0.077 52.130 52.037 0.026 0.000 0.746 365 A CB 0.987 20.023 19.000 0.059 0.000 1.277 365 A HN 0.404 nan 8.150 nan 0.000 0.425 366 S N -0.189 115.520 115.700 0.014 0.000 2.548 366 S HA 0.757 5.227 4.470 -0.000 0.000 0.286 366 S C -0.540 173.997 174.600 -0.105 0.000 1.098 366 S CA -0.660 57.489 58.200 -0.087 0.000 0.930 366 S CB 1.026 64.233 63.200 0.011 0.000 1.070 366 S HN 1.003 nan 8.310 nan 0.000 0.480 367 C N 2.242 121.373 119.300 -0.280 0.000 2.529 367 C HA 0.773 5.233 4.460 -0.000 0.000 0.329 367 C C -0.206 174.657 174.990 -0.212 0.000 1.194 367 C CA -0.869 58.044 59.018 -0.175 0.000 1.779 367 C CB 0.550 28.151 27.740 -0.233 0.000 2.322 367 C HN 0.971 nan 8.230 nan 0.000 0.500 368 I N 2.530 123.088 120.570 -0.019 0.000 2.466 368 I HA 0.417 4.587 4.170 -0.000 0.000 0.289 368 I C 0.213 176.362 176.117 0.054 0.000 1.026 368 I CA 0.266 61.574 61.300 0.014 0.000 1.078 368 I CB 1.601 39.653 38.000 0.087 0.000 1.249 368 I HN 0.899 nan 8.210 nan 0.000 0.429 369 S N 7.095 122.779 115.700 -0.027 0.000 2.580 369 S HA 0.618 5.088 4.470 -0.000 0.000 0.274 369 S C -0.233 174.400 174.600 0.054 0.000 1.329 369 S CA -0.557 57.652 58.200 0.016 0.000 1.036 369 S CB 1.455 64.531 63.200 -0.206 0.000 0.919 369 S HN 0.579 nan 8.310 nan 0.000 0.515 370 V N 0.121 120.088 119.914 0.087 0.000 2.919 370 V HA 0.570 4.690 4.120 -0.000 0.000 0.316 370 V C 0.114 176.246 176.094 0.063 0.000 1.077 370 V CA -1.182 61.156 62.300 0.063 0.000 0.977 370 V CB 1.666 33.519 31.823 0.050 0.000 1.039 370 V HN 0.892 nan 8.190 nan 0.000 0.441 371 N N 1.571 120.300 118.700 0.048 0.000 2.314 371 N HA 0.144 4.884 4.740 -0.000 0.000 0.200 371 N C 0.329 175.859 175.510 0.034 0.000 1.135 371 N CA 0.589 53.666 53.050 0.044 0.000 0.835 371 N CB 0.448 38.956 38.487 0.036 0.000 0.989 371 N HN 0.959 nan 8.380 nan 0.000 0.478 372 S N -0.967 114.751 115.700 0.030 0.000 2.656 372 S HA 0.159 4.629 4.470 -0.000 0.000 0.273 372 S C -1.107 173.500 174.600 0.013 0.000 1.168 372 S CA -0.972 57.240 58.200 0.020 0.000 0.817 372 S CB 1.868 65.078 63.200 0.016 0.000 1.146 372 S HN -0.068 nan 8.310 nan 0.000 0.475 373 D N 1.628 122.031 120.400 0.005 0.000 2.570 373 D HA 0.180 4.820 4.640 -0.000 0.000 0.243 373 D C -1.549 174.740 176.300 -0.018 0.000 1.171 373 D CA -1.073 52.923 54.000 -0.007 0.000 0.879 373 D CB 0.748 41.543 40.800 -0.008 0.000 1.143 373 D HN 0.186 nan 8.370 nan 0.000 0.511 374 P HA -0.126 nan 4.420 nan 0.000 0.216 374 P C 1.604 178.863 177.300 -0.068 0.000 1.153 374 P CA 0.372 63.433 63.100 -0.065 0.000 0.844 374 P CB 0.246 31.870 31.700 -0.128 0.000 0.787 375 V N 0.299 120.171 119.914 -0.069 0.000 2.332 375 V HA -0.282 3.838 4.120 -0.000 0.000 0.248 375 V C 2.462 178.533 176.094 -0.038 0.000 1.055 375 V CA 2.062 64.323 62.300 -0.064 0.000 1.038 375 V CB -1.138 30.651 31.823 -0.056 0.000 0.651 375 V HN 0.204 nan 8.190 nan 0.000 0.450 376 E N -0.090 120.096 120.200 -0.024 0.000 2.051 376 E HA -0.209 4.141 4.350 -0.000 0.000 0.192 376 E C 2.233 178.834 176.600 0.002 0.000 0.991 376 E CA 1.618 58.014 56.400 -0.006 0.000 0.799 376 E CB -0.157 29.541 29.700 -0.003 0.000 0.748 376 E HN 0.588 nan 8.360 nan 0.000 0.449 377 I N 0.782 121.351 120.570 -0.003 0.000 2.179 377 I HA -0.276 3.894 4.170 -0.000 0.000 0.242 377 I C 2.505 178.630 176.117 0.013 0.000 1.088 377 I CA 1.075 62.379 61.300 0.007 0.000 1.357 377 I CB -0.315 37.688 38.000 0.005 0.000 1.051 377 I HN 0.194 nan 8.210 nan 0.000 0.409 378 A N 0.465 123.282 122.820 -0.006 0.000 2.019 378 A HA -0.126 4.194 4.320 -0.000 0.000 0.219 378 A C 2.436 180.041 177.584 0.034 0.000 1.164 378 A CA 1.770 53.805 52.037 -0.004 0.000 0.644 378 A CB -0.606 18.361 19.000 -0.055 0.000 0.805 378 A HN 0.469 nan 8.150 nan 0.000 0.449 379 A N -0.275 122.565 122.820 0.033 0.000 1.970 379 A HA -0.011 4.309 4.320 -0.000 0.000 0.216 379 A C 2.055 179.702 177.584 0.106 0.000 1.170 379 A CA 1.343 53.429 52.037 0.082 0.000 0.645 379 A CB -0.255 18.772 19.000 0.046 0.000 0.816 379 A HN 0.505 nan 8.150 nan 0.000 0.447 380 K N -0.233 120.205 120.400 0.062 0.000 2.097 380 K HA 0.022 4.342 4.320 -0.000 0.000 0.205 380 K C 1.778 178.412 176.600 0.057 0.000 1.050 380 K CA 1.042 57.358 56.287 0.049 0.000 0.938 380 K CB -0.320 32.199 32.500 0.031 0.000 0.718 380 K HN 0.422 nan 8.250 nan 0.000 0.442 381 L N -0.185 121.081 121.223 0.071 0.000 2.005 381 L HA -0.214 4.126 4.340 -0.000 0.000 0.207 381 L C 2.488 179.425 176.870 0.112 0.000 1.072 381 L CA 1.249 56.135 54.840 0.076 0.000 0.744 381 L CB -0.550 41.553 42.059 0.074 0.000 0.895 381 L HN 0.131 nan 8.230 nan 0.000 0.433 382 Y N 1.235 121.533 120.300 -0.003 0.000 2.151 382 Y HA -0.351 4.199 4.550 -0.000 0.000 0.284 382 Y C 2.598 178.497 175.900 -0.001 0.000 1.166 382 Y CA 1.935 60.034 58.100 -0.003 0.000 1.163 382 Y CB -0.531 37.925 38.460 -0.006 0.000 0.974 382 Y HN 0.284 nan 8.280 nan 0.000 0.511 383 N N 0.570 119.277 118.700 0.013 0.000 2.381 383 N HA -0.133 4.607 4.740 -0.000 0.000 0.182 383 N C 0.919 176.381 175.510 -0.080 0.000 1.025 383 N CA 1.003 54.009 53.050 -0.074 0.000 0.888 383 N CB -0.273 38.215 38.487 0.001 0.000 0.965 383 N HN 0.493 nan 8.380 nan 0.000 0.438 384 L N 0.836 122.035 121.223 -0.040 0.000 2.737 384 L HA 0.235 4.575 4.340 -0.000 0.000 0.236 384 L C 0.328 177.172 176.870 -0.042 0.000 1.219 384 L CA -0.044 54.776 54.840 -0.032 0.000 1.021 384 L CB 0.041 42.097 42.059 -0.004 0.000 1.291 384 L HN 0.020 nan 8.230 nan 0.000 0.470 385 R N -2.980 117.467 120.500 -0.088 0.000 3.840 385 R HA -0.140 4.200 4.340 -0.000 0.000 0.464 385 R C -0.005 176.274 176.300 -0.035 0.000 0.986 385 R CA 0.679 56.730 56.100 -0.082 0.000 1.305 385 R CB -2.203 28.066 30.300 -0.051 0.000 1.950 385 R HN 0.116 nan 8.270 nan 0.000 0.526 386 V N 1.960 121.876 119.914 0.003 0.000 2.488 386 V HA 0.432 4.552 4.120 -0.000 0.000 0.277 386 V C 0.907 177.073 176.094 0.121 0.000 1.046 386 V CA 0.557 62.889 62.300 0.052 0.000 0.986 386 V CB 1.404 33.263 31.823 0.059 0.000 0.989 386 V HN 0.316 nan 8.190 nan 0.000 0.475 387 T N 1.346 115.970 114.554 0.118 0.000 2.876 387 T HA 0.740 5.090 4.350 -0.000 0.000 0.289 387 T C 0.641 175.410 174.700 0.114 0.000 1.014 387 T CA 0.231 62.436 62.100 0.176 0.000 0.986 387 T CB 1.896 70.865 68.868 0.167 0.000 1.021 387 T HN 1.402 nan 8.240 nan 0.000 0.458 388 G N 2.442 111.302 108.800 0.100 0.000 2.376 388 G HA2 -0.101 3.859 3.960 -0.000 0.000 0.208 388 G HA3 -0.101 3.859 3.960 -0.000 0.000 0.208 388 G C -1.901 173.038 174.900 0.066 0.000 1.032 388 G CA -0.189 44.958 45.100 0.079 0.000 0.641 388 G HN 0.954 nan 8.290 nan 0.000 0.503 389 P HA 0.464 nan 4.420 nan 0.000 0.271 389 P C -0.429 176.852 177.300 -0.032 0.000 1.216 389 P CA 0.138 63.259 63.100 0.035 0.000 0.776 389 P CB 0.788 32.516 31.700 0.046 0.000 0.881 390 R N 0.937 121.389 120.500 -0.080 0.000 2.589 390 R HA 0.647 4.987 4.340 -0.000 0.000 0.293 390 R C 0.329 176.532 176.300 -0.163 0.000 0.963 390 R CA -0.782 55.217 56.100 -0.168 0.000 0.905 390 R CB 2.022 32.132 30.300 -0.316 0.000 1.144 390 R HN 0.574 nan 8.270 nan 0.000 0.459 391 G N 2.826 111.517 108.800 -0.181 0.000 2.422 391 G HA2 0.600 4.560 3.960 -0.000 0.000 0.317 391 G HA3 0.600 4.560 3.960 -0.000 0.000 0.317 391 G C -0.522 174.208 174.900 -0.284 0.000 1.210 391 G CA -0.482 44.498 45.100 -0.198 0.000 0.930 391 G HN 0.422 nan 8.290 nan 0.000 0.468 392 I N 2.071 122.360 120.570 -0.469 0.000 2.478 392 I HA 0.252 4.422 4.170 -0.000 0.000 0.287 392 I C 0.061 175.954 176.117 -0.373 0.000 1.042 392 I CA -0.833 60.181 61.300 -0.475 0.000 1.067 392 I CB 2.386 39.998 38.000 -0.646 0.000 1.233 392 I HN 0.340 nan 8.210 nan 0.000 0.431 393 K N 4.851 125.148 120.400 -0.171 0.000 2.276 393 K HA 0.085 4.405 4.320 -0.000 0.000 0.259 393 K C 0.994 177.603 176.600 0.016 0.000 1.001 393 K CA -0.356 55.892 56.287 -0.065 0.000 0.927 393 K CB 0.793 33.266 32.500 -0.047 0.000 0.969 393 K HN 0.576 nan 8.250 nan 0.000 0.490 394 K N -0.020 120.438 120.400 0.096 0.000 2.504 394 K HA -0.058 4.262 4.320 -0.000 0.000 0.195 394 K C 0.887 177.548 176.600 0.102 0.000 1.036 394 K CA 1.131 57.541 56.287 0.206 0.000 0.984 394 K CB 0.130 32.719 32.500 0.149 0.000 0.788 394 K HN 0.336 nan 8.250 nan 0.000 0.488 395 T N 0.884 115.427 114.554 -0.018 0.000 3.031 395 T HA -0.065 4.285 4.350 -0.000 0.000 0.254 395 T C 0.074 174.554 174.700 -0.366 0.000 1.060 395 T CA 0.106 62.104 62.100 -0.171 0.000 1.135 395 T CB -0.131 68.680 68.868 -0.095 0.000 0.896 395 T HN 0.284 nan 8.240 nan 0.000 0.472 396 D N 1.694 121.997 120.400 -0.162 0.000 2.433 396 D HA -0.083 4.557 4.640 -0.000 0.000 0.274 396 D C 0.944 177.203 176.300 -0.069 0.000 1.344 396 D CA 0.371 54.315 54.000 -0.092 0.000 0.989 396 D CB 0.207 40.987 40.800 -0.033 0.000 1.116 396 D HN 0.414 nan 8.370 nan 0.000 0.533 397 H N 3.473 122.634 119.070 0.153 0.000 2.363 397 H HA -0.135 4.421 4.556 -0.000 0.000 0.301 397 H C 1.517 176.999 175.328 0.256 0.000 1.074 397 H CA 0.674 56.829 56.048 0.179 0.000 1.354 397 H CB -0.113 29.729 29.762 0.133 0.000 1.397 397 H HN 0.478 nan 8.280 nan 0.000 0.516 398 F N 1.433 121.526 119.950 0.238 0.000 2.206 398 F HA 0.009 4.536 4.527 -0.000 0.000 0.298 398 F C 2.504 178.391 175.800 0.145 0.000 1.090 398 F CA 1.182 59.306 58.000 0.206 0.000 1.323 398 F CB -0.258 38.828 39.000 0.144 0.000 1.028 398 F HN 0.082 nan 8.300 nan 0.000 0.492 399 G N -0.540 108.378 108.800 0.196 0.000 2.448 399 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.218 399 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.218 399 G C 1.298 176.223 174.900 0.041 0.000 1.135 399 G CA 0.586 45.720 45.100 0.057 0.000 0.784 399 G HN 0.311 nan 8.290 nan 0.000 0.543 400 N N -0.570 118.176 118.700 0.077 0.000 2.236 400 N HA 0.006 4.746 4.740 -0.000 0.000 0.196 400 N C 0.753 176.325 175.510 0.102 0.000 1.114 400 N CA 0.199 53.274 53.050 0.041 0.000 0.859 400 N CB 0.311 38.821 38.487 0.039 0.000 0.982 400 N HN 0.159 nan 8.380 nan 0.000 0.493 401 C N 1.618 120.979 119.300 0.103 0.000 4.165 401 C HA -0.280 4.180 4.460 -0.000 0.000 0.299 401 C C -0.681 174.498 174.990 0.316 0.000 1.445 401 C CA 0.451 59.490 59.018 0.035 0.000 2.029 401 C CB -2.731 24.909 27.740 -0.168 0.000 1.288 401 C HN 0.500 nan 8.230 nan 0.000 0.752 402 Y N -0.565 119.866 120.300 0.217 0.000 2.330 402 Y HA 0.521 5.071 4.550 -0.000 0.000 0.324 402 Y C 0.204 176.271 175.900 0.278 0.000 1.093 402 Y CA -1.146 57.076 58.100 0.203 0.000 1.103 402 Y CB 0.518 39.067 38.460 0.148 0.000 1.183 402 Y HN 0.126 nan 8.280 nan 0.000 0.433 403 L N 4.729 125.841 121.223 -0.185 0.000 2.456 403 L HA 0.101 4.441 4.340 -0.000 0.000 0.224 403 L C 1.494 178.142 176.870 -0.369 0.000 1.148 403 L CA 1.040 55.732 54.840 -0.246 0.000 0.825 403 L CB -0.517 41.347 42.059 -0.325 0.000 0.937 403 L HN 0.796 nan 8.230 nan 0.000 0.450 404 G N -1.073 107.096 108.800 -1.051 0.000 2.543 404 G HA2 0.289 4.249 3.960 -0.000 0.000 0.267 404 G HA3 0.289 4.249 3.960 -0.000 0.000 0.267 404 G C -0.552 174.267 174.900 -0.135 0.000 1.406 404 G CA -0.273 44.398 45.100 -0.716 0.000 1.048 404 G HN -0.057 nan 8.290 nan 0.000 0.548 405 T N 0.388 115.046 114.554 0.174 0.000 2.743 405 T HA 0.310 4.660 4.350 -0.000 0.000 0.292 405 T C -0.857 174.091 174.700 0.414 0.000 0.972 405 T CA -0.057 62.191 62.100 0.247 0.000 0.967 405 T CB 0.690 69.638 68.868 0.133 0.000 0.926 405 T HN 0.313 nan 8.240 nan 0.000 0.459 406 Y N 2.798 123.266 120.300 0.280 0.000 2.480 406 Y HA 0.151 4.701 4.550 -0.000 0.000 0.338 406 Y C 1.971 177.908 175.900 0.062 0.000 1.220 406 Y CA 0.020 58.233 58.100 0.188 0.000 1.430 406 Y CB 1.011 39.600 38.460 0.216 0.000 1.311 406 Y HN 0.690 nan 8.280 nan 0.000 0.575 407 T N 3.607 117.685 114.554 -0.793 0.000 3.113 407 T HA -0.002 4.348 4.350 -0.000 0.000 0.263 407 T C -0.025 174.162 174.700 -0.854 0.000 1.143 407 T CA 0.930 62.571 62.100 -0.765 0.000 1.090 407 T CB -0.484 67.881 68.868 -0.839 0.000 0.922 407 T HN 0.647 nan 8.240 nan 0.000 0.521 408 H N 0.033 118.884 119.070 -0.366 0.000 2.980 408 H HA 0.463 5.019 4.556 -0.000 0.000 0.367 408 H C -1.304 174.227 175.328 0.338 0.000 1.206 408 H CA -0.903 55.171 56.048 0.042 0.000 1.126 408 H CB 1.662 31.479 29.762 0.091 0.000 1.838 408 H HN 0.212 nan 8.280 nan 0.000 0.552 409 D N 1.480 122.110 120.400 0.383 0.000 2.217 409 D HA 0.297 4.936 4.640 -0.000 0.000 0.243 409 D C -0.506 175.949 176.300 0.258 0.000 1.054 409 D CA -0.044 54.077 54.000 0.202 0.000 0.838 409 D CB 1.855 42.712 40.800 0.095 0.000 1.162 409 D HN 0.419 nan 8.370 nan 0.000 0.472 410 Y N -0.528 119.836 120.300 0.107 0.000 2.670 410 Y HA 0.655 5.205 4.550 -0.000 0.000 0.334 410 Y C -1.790 174.123 175.900 0.021 0.000 1.185 410 Y CA -1.294 56.842 58.100 0.060 0.000 1.053 410 Y CB 0.713 39.221 38.460 0.080 0.000 1.298 410 Y HN 0.068 nan 8.280 nan 0.000 0.459 411 I N 2.280 122.963 120.570 0.189 0.000 2.474 411 I HA 0.677 4.847 4.170 -0.000 0.000 0.294 411 I C -0.420 175.820 176.117 0.204 0.000 1.005 411 I CA -0.753 60.609 61.300 0.103 0.000 1.113 411 I CB 1.852 39.889 38.000 0.061 0.000 1.289 411 I HN 0.759 nan 8.210 nan 0.000 0.436 415 A N 0.249 123.055 122.820 -0.023 0.000 3.253 415 A HA 0.794 5.114 4.320 -0.000 0.000 0.290 415 A C 0.027 177.585 177.584 -0.044 0.000 0.950 415 A CA -0.198 51.827 52.037 -0.020 0.000 0.986 415 A CB -0.334 18.662 19.000 -0.006 0.000 1.104 415 A HN 0.802 nan 8.150 nan 0.000 0.481 416 A N 0.080 122.859 122.820 -0.068 0.000 2.366 416 A HA 0.466 4.786 4.320 -0.000 0.000 0.250 416 A C 1.434 178.987 177.584 -0.051 0.000 1.099 416 A CA 0.169 52.154 52.037 -0.086 0.000 0.794 416 A CB -0.099 18.828 19.000 -0.121 0.000 1.056 416 A HN 1.157 nan 8.150 nan 0.000 0.499 417 I N 0.861 121.407 120.570 -0.040 0.000 2.141 417 I HA -0.286 3.884 4.170 -0.000 0.000 0.243 417 I C 1.962 178.047 176.117 -0.053 0.000 1.035 417 I CA 2.809 64.082 61.300 -0.046 0.000 1.302 417 I CB -0.378 37.606 38.000 -0.026 0.000 1.006 417 I HN 0.654 nan 8.210 nan 0.000 0.413 418 G N -0.311 108.468 108.800 -0.035 0.000 3.284 418 G HA2 0.206 4.166 3.960 -0.000 0.000 0.236 418 G HA3 0.206 4.166 3.960 -0.000 0.000 0.236 418 G C 0.338 175.225 174.900 -0.022 0.000 1.158 418 G CA 0.202 45.285 45.100 -0.029 0.000 0.774 418 G HN 0.249 nan 8.290 nan 0.000 0.545 419 V N 1.067 120.966 119.914 -0.024 0.000 2.788 419 V HA 0.216 4.336 4.120 -0.000 0.000 0.307 419 V C 0.268 176.354 176.094 -0.014 0.000 1.069 419 V CA -0.200 62.091 62.300 -0.015 0.000 1.173 419 V CB 0.378 32.193 31.823 -0.015 0.000 0.925 419 V HN 0.390 nan 8.190 nan 0.000 0.492 420 R N 4.168 124.663 120.500 -0.008 0.000 2.428 420 R HA 0.308 4.648 4.340 -0.000 0.000 0.294 420 R C 1.200 177.497 176.300 -0.005 0.000 1.000 420 R CA -0.251 55.845 56.100 -0.007 0.000 0.960 420 R CB 1.034 31.332 30.300 -0.005 0.000 1.076 420 R HN 0.803 nan 8.270 nan 0.000 0.475 421 T N 2.010 116.560 114.554 -0.007 0.000 2.737 421 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 421 T C 1.475 176.174 174.700 -0.002 0.000 1.040 421 T CA 1.674 63.771 62.100 -0.005 0.000 1.142 421 T CB -0.022 68.841 68.868 -0.007 0.000 0.861 421 T HN 0.603 nan 8.240 nan 0.000 0.456 422 E N 1.563 121.762 120.200 -0.002 0.000 2.072 422 E HA -0.145 4.205 4.350 -0.000 0.000 0.191 422 E C 1.763 178.365 176.600 0.003 0.000 0.985 422 E CA 1.035 57.435 56.400 0.000 0.000 0.801 422 E CB -0.562 29.137 29.700 -0.001 0.000 0.750 422 E HN 0.461 nan 8.360 nan 0.000 0.452 423 D N 1.099 121.501 120.400 0.005 0.000 2.117 423 D HA -0.057 4.582 4.640 -0.000 0.000 0.197 423 D C 2.224 178.532 176.300 0.014 0.000 0.987 423 D CA 0.711 54.717 54.000 0.009 0.000 0.829 423 D CB -0.186 40.620 40.800 0.010 0.000 0.961 423 D HN 0.214 nan 8.370 nan 0.000 0.460 424 I N 0.336 120.913 120.570 0.012 0.000 2.202 424 I HA -0.213 3.957 4.170 -0.000 0.000 0.242 424 I C 2.427 178.554 176.117 0.016 0.000 1.091 424 I CA 0.532 61.843 61.300 0.017 0.000 1.368 424 I CB -0.092 37.917 38.000 0.014 0.000 1.058 424 I HN -0.125 nan 8.210 nan 0.000 0.410 425 V N 0.872 120.792 119.914 0.010 0.000 2.287 425 V HA -0.351 3.769 4.120 -0.000 0.000 0.248 425 V C 2.097 178.197 176.094 0.010 0.000 1.053 425 V CA 2.428 64.732 62.300 0.008 0.000 1.027 425 V CB -0.989 30.835 31.823 0.002 0.000 0.646 425 V HN 0.483 nan 8.190 nan 0.000 0.447 426 N N 0.278 118.984 118.700 0.010 0.000 2.025 426 N HA -0.212 4.528 4.740 -0.000 0.000 0.194 426 N C 2.129 177.649 175.510 0.015 0.000 1.044 426 N CA 1.802 54.858 53.050 0.010 0.000 0.851 426 N CB -0.136 38.355 38.487 0.008 0.000 1.036 426 N HN 0.584 nan 8.380 nan 0.000 0.422 427 S N 0.047 115.759 115.700 0.020 0.000 2.402 427 S HA -0.109 4.361 4.470 -0.000 0.000 0.233 427 S C 2.005 176.623 174.600 0.031 0.000 1.030 427 S CA 1.169 59.386 58.200 0.028 0.000 1.003 427 S CB -0.643 62.578 63.200 0.034 0.000 0.813 427 S HN 0.132 nan 8.310 nan 0.000 0.477 428 V N 1.616 121.547 119.914 0.029 0.000 2.453 428 V HA -0.074 4.046 4.120 -0.000 0.000 0.247 428 V C 2.850 178.960 176.094 0.025 0.000 1.048 428 V CA 1.844 64.163 62.300 0.032 0.000 1.049 428 V CB -0.955 30.887 31.823 0.032 0.000 0.672 428 V HN 0.554 nan 8.190 nan 0.000 0.457 429 S N -0.284 115.428 115.700 0.019 0.000 2.368 429 S HA -0.197 4.273 4.470 -0.000 0.000 0.225 429 S C 1.967 176.577 174.600 0.016 0.000 1.030 429 S CA 1.403 59.612 58.200 0.014 0.000 0.999 429 S CB -0.230 62.976 63.200 0.010 0.000 0.844 429 S HN 0.577 nan 8.310 nan 0.000 0.459 430 K N 0.866 121.276 120.400 0.017 0.000 2.211 430 K HA 0.101 4.421 4.320 -0.000 0.000 0.203 430 K C 2.010 178.623 176.600 0.022 0.000 1.050 430 K CA 0.518 56.816 56.287 0.017 0.000 0.945 430 K CB -0.225 32.286 32.500 0.017 0.000 0.732 430 K HN 0.287 nan 8.250 nan 0.000 0.451 431 L N 1.256 122.496 121.223 0.027 0.000 2.141 431 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 431 L C 2.372 179.259 176.870 0.028 0.000 1.094 431 L CA 1.459 56.318 54.840 0.031 0.000 0.763 431 L CB -0.145 41.937 42.059 0.040 0.000 0.908 431 L HN 0.288 nan 8.230 nan 0.000 0.437 432 E N -0.299 119.916 120.200 0.024 0.000 2.106 432 E HA -0.226 4.124 4.350 -0.000 0.000 0.192 432 E C 1.972 178.583 176.600 0.017 0.000 0.984 432 E CA 0.739 57.151 56.400 0.021 0.000 0.806 432 E CB 0.241 29.952 29.700 0.017 0.000 0.750 432 E HN 0.243 nan 8.360 nan 0.000 0.458 433 K N 0.367 120.776 120.400 0.015 0.000 2.147 433 K HA -0.064 4.256 4.320 -0.000 0.000 0.205 433 K C 1.272 177.880 176.600 0.014 0.000 1.049 433 K CA 0.693 56.987 56.287 0.013 0.000 0.936 433 K CB -0.208 32.299 32.500 0.011 0.000 0.722 433 K HN 0.270 nan 8.250 nan 0.000 0.446 434 I N 0.000 120.580 120.570 0.017 0.000 2.984 434 I HA 0.000 4.170 4.170 -0.000 0.000 0.288 434 I CA 0.000 61.311 61.300 0.018 0.000 1.566 434 I CB 0.000 38.012 38.000 0.020 0.000 1.214 434 I HN 0.000 nan 8.210 nan 0.000 0.494