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 1y2d_1_B DATA FIRST_RESID 86 DATA SEQUENCE TEQEDVLAKE LEDVNKWGLH VFRIAELSGN RPLTVIMHTI FQERDLLKTF DATA SEQUENCE KIPVDTLITY LMTLEDHYHA DVAYHNNIHA ADVVQSTHVL LSTPALEAVF DATA SEQUENCE TDLEILAAIF ASAIHDVDHP GVSNQFLINT NSELALMYND SSVLENHHLA DATA SEQUENCE VGFKLLQEEN CDIFQNLTKK QRQSLRKMVI DIVLATDMSK HMNLLADLKT DATA SEQUENCE MVETKKVTSS GVLLLDNYSD RIQVLQNMVH CADLSNPTKP LQLYRQWTDR DATA SEQUENCE IMEEFFRQGD RERERGMEIS PMCDKHNASV EKSQVGFIDY IVHPLWETWA DATA SEQUENCE DLVHPDAQDI LDTLEDNREW YQSTIP 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 86 T HA 0.000 nan 4.350 nan 0.000 0.228 86 T C 0.000 174.701 174.700 0.002 0.000 1.109 86 T CA 0.000 62.101 62.100 0.002 0.000 1.349 86 T CB 0.000 68.869 68.868 0.001 0.000 0.612 87 E N 0.158 120.358 120.200 0.001 0.000 2.106 87 E HA -0.163 4.187 4.350 0.001 0.000 0.192 87 E C 1.862 178.463 176.600 0.001 0.000 0.984 87 E CA 1.459 57.859 56.400 0.001 0.000 0.806 87 E CB -0.051 29.649 29.700 -0.000 0.000 0.750 87 E HN 0.731 nan 8.360 nan 0.000 0.458 88 Q N 0.727 120.528 119.800 0.000 0.000 2.084 88 Q HA -0.175 4.165 4.340 0.001 0.000 0.202 88 Q C 1.804 177.805 176.000 0.003 0.000 0.978 88 Q CA 1.294 57.097 55.803 0.000 0.000 0.844 88 Q CB 0.109 28.846 28.738 -0.002 0.000 0.898 88 Q HN 0.267 nan 8.270 nan 0.000 0.426 89 E N 0.029 120.231 120.200 0.003 0.000 2.150 89 E HA -0.175 4.176 4.350 0.001 0.000 0.193 89 E C 1.477 178.081 176.600 0.007 0.000 0.985 89 E CA 1.084 57.488 56.400 0.006 0.000 0.814 89 E CB 0.128 29.832 29.700 0.007 0.000 0.752 89 E HN 0.399 nan 8.360 nan 0.000 0.466 90 D N -0.072 120.331 120.400 0.006 0.000 2.117 90 D HA -0.111 4.530 4.640 0.001 0.000 0.198 90 D C 1.985 178.289 176.300 0.008 0.000 0.982 90 D CA 0.725 54.729 54.000 0.006 0.000 0.828 90 D CB -0.097 40.706 40.800 0.006 0.000 0.967 90 D HN 0.006 nan 8.370 nan 0.000 0.464 91 V N 1.003 120.922 119.914 0.008 0.000 2.427 91 V HA -0.165 3.955 4.120 0.001 0.000 0.248 91 V C 2.368 178.470 176.094 0.014 0.000 1.051 91 V CA 0.843 63.150 62.300 0.011 0.000 1.048 91 V CB -0.368 31.460 31.823 0.009 0.000 0.666 91 V HN 0.142 nan 8.190 nan 0.000 0.456 92 L N 1.301 122.530 121.223 0.010 0.000 2.017 92 L HA -0.083 4.257 4.340 0.001 0.000 0.208 92 L C 2.462 179.336 176.870 0.007 0.000 1.073 92 L CA 2.447 57.292 54.840 0.009 0.000 0.745 92 L CB -1.033 41.030 42.059 0.005 0.000 0.894 92 L HN 0.207 nan 8.230 nan 0.000 0.432 93 A N -0.790 122.034 122.820 0.006 0.000 1.940 93 A HA -0.243 4.078 4.320 0.001 0.000 0.219 93 A C 2.414 180.000 177.584 0.004 0.000 1.176 93 A CA 1.956 53.995 52.037 0.003 0.000 0.631 93 A CB -0.566 18.436 19.000 0.004 0.000 0.814 93 A HN 0.510 nan 8.150 nan 0.000 0.446 94 K N -0.603 119.802 120.400 0.009 0.000 2.026 94 K HA -0.141 4.179 4.320 0.001 0.000 0.208 94 K C 1.978 178.585 176.600 0.012 0.000 1.048 94 K CA 1.438 57.732 56.287 0.012 0.000 0.929 94 K CB -0.129 32.382 32.500 0.018 0.000 0.713 94 K HN 0.448 nan 8.250 nan 0.000 0.439 95 E N 0.751 120.964 120.200 0.021 0.000 2.153 95 E HA -0.161 4.190 4.350 0.001 0.000 0.194 95 E C 1.978 178.572 176.600 -0.010 0.000 0.988 95 E CA 0.852 57.266 56.400 0.022 0.000 0.811 95 E CB -0.064 29.668 29.700 0.054 0.000 0.746 95 E HN 0.329 nan 8.360 nan 0.000 0.466 96 L N 0.827 122.045 121.223 -0.008 0.000 2.465 96 L HA -0.095 4.246 4.340 0.001 0.000 0.224 96 L C 2.009 178.871 176.870 -0.014 0.000 1.145 96 L CA 0.527 55.358 54.840 -0.016 0.000 0.834 96 L CB -0.218 41.831 42.059 -0.017 0.000 0.944 96 L HN 0.052 nan 8.230 nan 0.000 0.451 97 E N -0.027 120.166 120.200 -0.011 0.000 2.265 97 E HA -0.189 4.161 4.350 0.001 0.000 0.196 97 E C 0.622 177.218 176.600 -0.006 0.000 0.996 97 E CA 0.741 57.138 56.400 -0.005 0.000 0.832 97 E CB 0.056 29.754 29.700 -0.003 0.000 0.756 97 E HN 0.426 nan 8.360 nan 0.000 0.491 98 D N 0.030 120.415 120.400 -0.025 0.000 2.336 98 D HA -0.025 4.615 4.640 0.001 0.000 0.228 98 D C 1.350 177.648 176.300 -0.002 0.000 1.120 98 D CA 0.038 54.018 54.000 -0.033 0.000 0.839 98 D CB 0.535 41.271 40.800 -0.106 0.000 0.932 98 D HN -0.026 nan 8.370 nan 0.000 0.509 99 V N 0.958 120.884 119.914 0.021 0.000 2.688 99 V HA -0.198 3.922 4.120 0.001 0.000 0.256 99 V C 1.100 177.295 176.094 0.170 0.000 1.084 99 V CA 1.466 63.800 62.300 0.057 0.000 1.103 99 V CB -0.160 31.674 31.823 0.019 0.000 0.688 99 V HN 0.185 nan 8.190 nan 0.000 0.480 100 N N 0.280 119.073 118.700 0.154 0.000 2.322 100 N HA 0.102 4.843 4.740 0.001 0.000 0.194 100 N C 0.086 175.660 175.510 0.107 0.000 1.126 100 N CA 0.291 53.434 53.050 0.154 0.000 0.845 100 N CB 0.176 38.732 38.487 0.115 0.000 0.976 100 N HN 0.581 nan 8.380 nan 0.000 0.475 101 K N -0.312 120.149 120.400 0.101 0.000 2.207 101 K HA 0.199 4.519 4.320 0.001 0.000 0.255 101 K C -0.568 176.133 176.600 0.167 0.000 0.941 101 K CA -0.711 55.645 56.287 0.114 0.000 0.825 101 K CB 1.963 34.495 32.500 0.054 0.000 1.119 101 K HN 0.052 nan 8.250 nan 0.000 0.430 102 W N 1.910 123.199 121.300 -0.020 0.000 2.303 102 W HA 0.102 4.762 4.660 0.000 0.000 0.318 102 W C 0.501 177.004 176.519 -0.026 0.000 1.362 102 W CA 1.396 58.726 57.345 -0.024 0.000 1.234 102 W CB 0.782 30.220 29.460 -0.038 0.000 1.248 102 W HN 1.000 nan 8.180 nan 0.000 0.546 103 G N 4.131 112.838 108.800 -0.155 0.000 2.148 103 G HA2 -0.290 3.671 3.960 0.001 0.000 0.203 103 G HA3 -0.290 3.671 3.960 0.001 0.000 0.203 103 G C -0.379 174.468 174.900 -0.089 0.000 0.993 103 G CA -0.239 44.812 45.100 -0.083 0.000 0.661 103 G HN 0.588 nan 8.290 nan 0.000 0.518 104 L N 1.471 122.619 121.223 -0.125 0.000 2.573 104 L HA 0.276 4.616 4.340 0.001 0.000 0.290 104 L C 0.948 177.779 176.870 -0.064 0.000 1.247 104 L CA 0.477 55.230 54.840 -0.146 0.000 0.876 104 L CB -0.015 41.982 42.059 -0.103 0.000 1.123 104 L HN 0.362 nan 8.230 nan 0.000 0.505 105 H N 4.329 123.379 119.070 -0.034 0.000 3.195 105 H HA 0.053 4.610 4.556 0.001 0.000 0.241 105 H C 1.182 176.468 175.328 -0.069 0.000 1.823 105 H CA -0.092 55.941 56.048 -0.025 0.000 1.466 105 H CB 0.436 30.194 29.762 -0.007 0.000 1.819 105 H HN 0.638 nan 8.280 nan 0.000 0.575 106 V N 1.782 121.664 119.914 -0.054 0.000 2.490 106 V HA -0.271 3.849 4.120 0.001 0.000 0.250 106 V C 1.403 177.320 176.094 -0.295 0.000 1.061 106 V CA 1.751 63.920 62.300 -0.218 0.000 1.064 106 V CB -0.438 31.200 31.823 -0.309 0.000 0.670 106 V HN 0.546 nan 8.190 nan 0.000 0.461 107 F N 0.513 120.404 119.950 -0.097 0.000 2.186 107 F HA -0.010 4.517 4.527 0.001 0.000 0.299 107 F C 2.564 178.304 175.800 -0.100 0.000 1.090 107 F CA 1.552 59.462 58.000 -0.151 0.000 1.307 107 F CB -0.601 38.255 39.000 -0.241 0.000 1.019 107 F HN 0.056 nan 8.300 nan 0.000 0.489 108 R N 0.309 120.863 120.500 0.090 0.000 2.075 108 R HA -0.107 4.234 4.340 0.001 0.000 0.232 108 R C 2.239 178.551 176.300 0.021 0.000 1.126 108 R CA 1.535 57.658 56.100 0.039 0.000 0.963 108 R CB -0.685 29.636 30.300 0.035 0.000 0.858 108 R HN 0.302 nan 8.270 nan 0.000 0.435 109 I N 0.769 121.346 120.570 0.011 0.000 2.286 109 I HA -0.277 3.893 4.170 0.001 0.000 0.248 109 I C 2.613 178.714 176.117 -0.027 0.000 1.115 109 I CA 1.195 62.487 61.300 -0.012 0.000 1.392 109 I CB -0.376 37.606 38.000 -0.030 0.000 1.065 109 I HN 0.202 nan 8.210 nan 0.000 0.418 110 A N 0.440 123.236 122.820 -0.039 0.000 1.877 110 A HA -0.237 4.083 4.320 0.001 0.000 0.216 110 A C 2.231 179.805 177.584 -0.016 0.000 1.186 110 A CA 1.787 53.802 52.037 -0.037 0.000 0.620 110 A CB -0.551 18.426 19.000 -0.038 0.000 0.822 110 A HN 0.447 nan 8.150 nan 0.000 0.443 111 E N -0.316 119.881 120.200 -0.003 0.000 2.047 111 E HA -0.107 4.243 4.350 0.001 0.000 0.191 111 E C 1.941 178.536 176.600 -0.009 0.000 0.987 111 E CA 1.127 57.523 56.400 -0.006 0.000 0.799 111 E CB -0.286 29.411 29.700 -0.006 0.000 0.752 111 E HN 0.608 nan 8.360 nan 0.000 0.449 112 L N 1.069 122.288 121.223 -0.006 0.000 2.201 112 L HA -0.115 4.226 4.340 0.001 0.000 0.212 112 L C 2.376 179.242 176.870 -0.006 0.000 1.105 112 L CA 1.055 55.892 54.840 -0.004 0.000 0.775 112 L CB -0.244 41.815 42.059 0.001 0.000 0.913 112 L HN 0.136 nan 8.230 nan 0.000 0.440 113 S N -0.788 114.907 115.700 -0.010 0.000 2.605 113 S HA 0.206 4.676 4.470 0.001 0.000 0.217 113 S C 1.334 175.926 174.600 -0.013 0.000 0.958 113 S CA 0.184 58.377 58.200 -0.011 0.000 0.919 113 S CB 0.218 63.408 63.200 -0.016 0.000 0.780 113 S HN 0.469 nan 8.310 nan 0.000 0.507 114 G N 2.086 110.878 108.800 -0.013 0.000 2.272 114 G HA2 -0.320 3.641 3.960 0.001 0.000 0.280 114 G HA3 -0.320 3.641 3.960 0.001 0.000 0.280 114 G C 0.195 175.085 174.900 -0.016 0.000 1.067 114 G CA 0.047 45.139 45.100 -0.013 0.000 0.902 114 G HN 0.966 nan 8.290 nan 0.000 0.500 115 N N -1.488 117.201 118.700 -0.018 0.000 2.754 115 N HA -0.186 4.554 4.740 0.001 0.000 0.248 115 N C 0.795 176.288 175.510 -0.029 0.000 1.093 115 N CA 1.517 54.554 53.050 -0.021 0.000 0.699 115 N CB -0.340 38.139 38.487 -0.014 0.000 1.016 115 N HN 0.671 nan 8.380 nan 0.000 0.552 116 R N -0.393 120.087 120.500 -0.033 0.000 2.903 116 R HA 0.264 4.605 4.340 0.001 0.000 0.363 116 R C -1.703 174.565 176.300 -0.052 0.000 1.161 116 R CA -1.033 55.042 56.100 -0.041 0.000 1.109 116 R CB 0.602 30.883 30.300 -0.032 0.000 1.399 116 R HN 0.352 nan 8.270 nan 0.000 0.587 117 P HA -0.159 nan 4.420 nan 0.000 0.217 117 P C 1.384 178.628 177.300 -0.095 0.000 1.150 117 P CA 0.625 63.676 63.100 -0.083 0.000 0.832 117 P CB 0.423 32.057 31.700 -0.109 0.000 0.787 118 L N 0.015 121.167 121.223 -0.118 0.000 2.056 118 L HA -0.067 4.273 4.340 0.001 0.000 0.207 118 L C 2.292 179.112 176.870 -0.084 0.000 1.078 118 L CA 2.223 56.986 54.840 -0.127 0.000 0.749 118 L CB -1.706 40.246 42.059 -0.179 0.000 0.901 118 L HN -0.087 nan 8.230 nan 0.000 0.433 119 T N -0.702 113.809 114.554 -0.071 0.000 2.708 119 T HA -0.160 4.191 4.350 0.001 0.000 0.266 119 T C 1.935 176.626 174.700 -0.015 0.000 1.037 119 T CA 2.014 64.080 62.100 -0.057 0.000 1.146 119 T CB -0.517 68.316 68.868 -0.059 0.000 0.865 119 T HN 0.400 nan 8.240 nan 0.000 0.435 120 V N -0.013 119.896 119.914 -0.007 0.000 2.427 120 V HA -0.009 4.112 4.120 0.001 0.000 0.248 120 V C 2.229 178.332 176.094 0.014 0.000 1.051 120 V CA 1.299 63.615 62.300 0.027 0.000 1.048 120 V CB -0.975 30.855 31.823 0.011 0.000 0.666 120 V HN 0.453 nan 8.190 nan 0.000 0.456 121 I N -0.621 119.937 120.570 -0.021 0.000 2.286 121 I HA -0.137 4.033 4.170 0.001 0.000 0.245 121 I C 2.869 178.979 176.117 -0.011 0.000 1.104 121 I CA 1.678 62.957 61.300 -0.034 0.000 1.397 121 I CB -0.276 37.688 38.000 -0.059 0.000 1.072 121 I HN 0.241 nan 8.210 nan 0.000 0.417 122 M N -0.303 119.297 119.600 -0.000 0.000 2.086 122 M HA -0.244 4.237 4.480 0.001 0.000 0.261 122 M C 2.510 178.850 176.300 0.067 0.000 1.067 122 M CA 1.849 57.167 55.300 0.031 0.000 1.116 122 M CB -1.379 31.184 32.600 -0.061 0.000 1.348 122 M HN 0.296 nan 8.290 nan 0.000 0.407 123 H N 0.455 119.478 119.070 -0.078 0.000 2.321 123 H HA -0.085 4.471 4.556 0.001 0.000 0.300 123 H C 1.751 177.104 175.328 0.041 0.000 1.087 123 H CA 2.394 58.416 56.048 -0.045 0.000 1.319 123 H CB -0.367 29.364 29.762 -0.052 0.000 1.379 123 H HN 0.252 nan 8.280 nan 0.000 0.501 124 T N 0.643 115.151 114.554 -0.078 0.000 2.684 124 T HA -0.112 4.238 4.350 0.001 0.000 0.267 124 T C 2.324 176.975 174.700 -0.082 0.000 1.036 124 T CA 1.658 63.678 62.100 -0.133 0.000 1.148 124 T CB -0.292 68.524 68.868 -0.087 0.000 0.863 124 T HN 0.287 nan 8.240 nan 0.000 0.436 125 I N -0.096 120.442 120.570 -0.053 0.000 2.315 125 I HA -0.094 4.077 4.170 0.001 0.000 0.248 125 I C 1.946 178.096 176.117 0.055 0.000 1.117 125 I CA 1.075 62.289 61.300 -0.144 0.000 1.404 125 I CB -0.273 37.584 38.000 -0.238 0.000 1.071 125 I HN 0.137 nan 8.210 nan 0.000 0.419 126 F N 1.165 121.094 119.950 -0.035 0.000 2.171 126 F HA -0.218 4.309 4.527 0.001 0.000 0.300 126 F C 2.642 178.456 175.800 0.024 0.000 1.090 126 F CA 1.425 59.452 58.000 0.045 0.000 1.293 126 F CB -0.677 38.390 39.000 0.111 0.000 1.013 126 F HN 0.094 nan 8.300 nan 0.000 0.486 127 Q N -0.544 119.332 119.800 0.126 0.000 2.079 127 Q HA -0.224 4.116 4.340 0.001 0.000 0.200 127 Q C 2.100 178.111 176.000 0.018 0.000 0.974 127 Q CA 1.598 57.418 55.803 0.027 0.000 0.840 127 Q CB -0.266 28.408 28.738 -0.106 0.000 0.898 127 Q HN 0.306 nan 8.270 nan 0.000 0.430 128 E N 1.073 121.275 120.200 0.004 0.000 2.110 128 E HA -0.156 4.194 4.350 0.001 0.000 0.193 128 E C 1.325 177.957 176.600 0.052 0.000 0.988 128 E CA 1.184 57.599 56.400 0.024 0.000 0.804 128 E CB 0.162 29.875 29.700 0.022 0.000 0.745 128 E HN 0.134 nan 8.360 nan 0.000 0.458 129 R N -0.131 120.396 120.500 0.044 0.000 2.317 129 R HA 0.058 4.398 4.340 0.001 0.000 0.208 129 R C 0.012 176.325 176.300 0.021 0.000 0.914 129 R CA 0.606 56.732 56.100 0.043 0.000 1.060 129 R CB 0.249 30.566 30.300 0.029 0.000 1.015 129 R HN 0.089 nan 8.270 nan 0.000 0.498 130 D N 0.242 120.659 120.400 0.028 0.000 2.837 130 D HA -0.186 4.454 4.640 0.001 0.000 0.230 130 D C 0.476 176.794 176.300 0.029 0.000 1.152 130 D CA 0.453 54.471 54.000 0.029 0.000 0.736 130 D CB -1.033 39.774 40.800 0.011 0.000 1.084 130 D HN 0.256 nan 8.370 nan 0.000 0.429 131 L N -0.686 120.560 121.223 0.038 0.000 2.217 131 L HA -0.101 4.240 4.340 0.001 0.000 0.211 131 L C 2.396 179.399 176.870 0.221 0.000 1.107 131 L CA 0.573 55.462 54.840 0.081 0.000 0.783 131 L CB -0.193 41.734 42.059 -0.221 0.000 0.919 131 L HN 0.195 nan 8.230 nan 0.000 0.442 132 L N -0.091 121.274 121.223 0.238 0.000 2.017 132 L HA -0.231 4.109 4.340 0.001 0.000 0.208 132 L C 2.607 179.563 176.870 0.143 0.000 1.073 132 L CA 1.679 56.661 54.840 0.236 0.000 0.745 132 L CB -0.611 41.581 42.059 0.222 0.000 0.894 132 L HN 0.168 nan 8.230 nan 0.000 0.432 133 K N -0.724 119.726 120.400 0.083 0.000 2.057 133 K HA -0.142 4.179 4.320 0.001 0.000 0.206 133 K C 2.061 178.646 176.600 -0.025 0.000 1.050 133 K CA 1.684 57.990 56.287 0.031 0.000 0.935 133 K CB -0.099 32.409 32.500 0.014 0.000 0.715 133 K HN 0.204 nan 8.250 nan 0.000 0.439 134 T N 0.296 114.796 114.554 -0.091 0.000 2.720 134 T HA -0.114 4.236 4.350 0.001 0.000 0.268 134 T C 0.891 175.319 174.700 -0.453 0.000 1.037 134 T CA 1.360 63.267 62.100 -0.321 0.000 1.144 134 T CB -0.159 68.423 68.868 -0.475 0.000 0.864 134 T HN 0.170 nan 8.240 nan 0.000 0.444 135 F N 0.858 120.841 119.950 0.054 0.000 2.639 135 F HA 0.402 4.930 4.527 0.001 0.000 0.302 135 F C 0.773 176.616 175.800 0.071 0.000 1.097 135 F CA -0.717 57.325 58.000 0.070 0.000 1.294 135 F CB -0.244 38.819 39.000 0.104 0.000 1.027 135 F HN -0.078 nan 8.300 nan 0.000 0.550 136 K N 1.111 121.602 120.400 0.152 0.000 3.156 136 K HA -0.215 4.105 4.320 0.001 0.000 0.266 136 K C -0.374 176.301 176.600 0.124 0.000 0.966 136 K CA 0.352 56.707 56.287 0.112 0.000 0.719 136 K CB -1.868 30.682 32.500 0.084 0.000 1.333 136 K HN 0.345 nan 8.250 nan 0.000 0.468 137 I N 1.609 122.270 120.570 0.153 0.000 2.337 137 I HA 0.142 4.312 4.170 0.001 0.000 0.291 137 I C -1.837 174.328 176.117 0.081 0.000 1.046 137 I CA -2.360 59.011 61.300 0.117 0.000 1.324 137 I CB 0.527 38.627 38.000 0.167 0.000 1.409 137 I HN -0.112 nan 8.210 nan 0.000 0.494 138 P HA -0.020 nan 4.420 nan 0.000 0.267 138 P C 0.852 178.162 177.300 0.016 0.000 1.205 138 P CA -0.025 63.092 63.100 0.029 0.000 0.765 138 P CB 1.123 32.831 31.700 0.014 0.000 0.828 139 V N 3.652 123.578 119.914 0.020 0.000 2.332 139 V HA -0.256 3.865 4.120 0.001 0.000 0.248 139 V C 1.745 177.797 176.094 -0.070 0.000 1.055 139 V CA 2.617 64.910 62.300 -0.011 0.000 1.038 139 V CB -0.889 30.947 31.823 0.020 0.000 0.651 139 V HN 0.679 nan 8.190 nan 0.000 0.450 140 D N -1.606 118.767 120.400 -0.045 0.000 2.144 140 D HA -0.201 4.439 4.640 0.001 0.000 0.199 140 D C 1.929 178.202 176.300 -0.046 0.000 0.984 140 D CA 1.892 55.861 54.000 -0.050 0.000 0.834 140 D CB -0.731 40.053 40.800 -0.027 0.000 0.955 140 D HN 0.492 nan 8.370 nan 0.000 0.465 141 T N 1.181 115.714 114.554 -0.034 0.000 2.777 141 T HA -0.108 4.243 4.350 0.001 0.000 0.266 141 T C 1.948 176.626 174.700 -0.036 0.000 1.040 141 T CA 0.765 62.849 62.100 -0.028 0.000 1.141 141 T CB -0.325 68.523 68.868 -0.033 0.000 0.868 141 T HN 0.055 nan 8.240 nan 0.000 0.444 142 L N 1.189 122.369 121.223 -0.071 0.000 2.017 142 L HA -0.023 4.317 4.340 0.001 0.000 0.208 142 L C 2.059 178.866 176.870 -0.106 0.000 1.073 142 L CA 1.583 56.358 54.840 -0.109 0.000 0.745 142 L CB -0.678 41.291 42.059 -0.150 0.000 0.894 142 L HN 0.146 nan 8.230 nan 0.000 0.432 143 I N -0.703 119.778 120.570 -0.149 0.000 2.252 143 I HA -0.234 3.936 4.170 0.001 0.000 0.245 143 I C 2.361 178.427 176.117 -0.084 0.000 1.102 143 I CA 1.566 62.772 61.300 -0.156 0.000 1.385 143 I CB -1.854 36.029 38.000 -0.195 0.000 1.064 143 I HN 0.293 nan 8.210 nan 0.000 0.414 144 T N 0.432 114.958 114.554 -0.047 0.000 2.708 144 T HA -0.243 4.107 4.350 0.001 0.000 0.266 144 T C 1.884 176.581 174.700 -0.005 0.000 1.037 144 T CA 1.598 63.686 62.100 -0.020 0.000 1.146 144 T CB -0.565 68.303 68.868 0.000 0.000 0.865 144 T HN 0.316 nan 8.240 nan 0.000 0.435 145 Y N 1.707 121.963 120.300 -0.074 0.000 2.145 145 Y HA -0.066 4.485 4.550 0.001 0.000 0.286 145 Y C 2.041 177.913 175.900 -0.048 0.000 1.145 145 Y CA 1.117 59.181 58.100 -0.060 0.000 1.148 145 Y CB -0.554 37.853 38.460 -0.088 0.000 0.981 145 Y HN 0.110 nan 8.280 nan 0.000 0.507 146 L N -0.638 120.507 121.223 -0.131 0.000 2.046 146 L HA -0.286 4.054 4.340 0.001 0.000 0.208 146 L C 2.502 179.261 176.870 -0.185 0.000 1.077 146 L CA 1.357 56.087 54.840 -0.183 0.000 0.747 146 L CB -0.525 41.471 42.059 -0.104 0.000 0.896 146 L HN 0.334 nan 8.230 nan 0.000 0.432 147 M N -1.109 118.412 119.600 -0.132 0.000 2.175 147 M HA -0.135 4.345 4.480 0.001 0.000 0.264 147 M C 2.307 178.561 176.300 -0.077 0.000 1.063 147 M CA 1.645 56.893 55.300 -0.086 0.000 1.119 147 M CB -1.176 31.387 32.600 -0.062 0.000 1.377 147 M HN 0.246 nan 8.290 nan 0.000 0.415 148 T N 1.643 116.127 114.554 -0.118 0.000 2.737 148 T HA -0.119 4.231 4.350 0.001 0.000 0.265 148 T C 1.857 176.521 174.700 -0.059 0.000 1.038 148 T CA 1.117 63.178 62.100 -0.066 0.000 1.144 148 T CB -0.384 68.418 68.868 -0.109 0.000 0.866 148 T HN 0.220 nan 8.240 nan 0.000 0.434 149 L N 1.455 122.483 121.223 -0.325 0.000 1.989 149 L HA -0.084 4.256 4.340 0.001 0.000 0.211 149 L C 2.455 179.352 176.870 0.045 0.000 1.071 149 L CA 2.064 56.745 54.840 -0.265 0.000 0.749 149 L CB -0.694 41.076 42.059 -0.482 0.000 0.890 149 L HN 0.281 nan 8.230 nan 0.000 0.431 150 E N -0.828 119.391 120.200 0.031 0.000 2.085 150 E HA -0.270 4.081 4.350 0.001 0.000 0.194 150 E C 1.706 178.397 176.600 0.151 0.000 0.994 150 E CA 1.541 58.010 56.400 0.116 0.000 0.801 150 E CB -0.091 29.607 29.700 -0.004 0.000 0.743 150 E HN 0.555 nan 8.360 nan 0.000 0.453 151 D N -0.536 119.914 120.400 0.083 0.000 2.221 151 D HA -0.146 4.494 4.640 0.001 0.000 0.204 151 D C 1.171 177.448 176.300 -0.039 0.000 0.982 151 D CA 1.054 55.065 54.000 0.019 0.000 0.857 151 D CB -0.219 40.564 40.800 -0.028 0.000 0.934 151 D HN 0.401 nan 8.370 nan 0.000 0.475 152 H N -1.752 117.334 119.070 0.026 0.000 2.539 152 H HA 0.119 4.675 4.556 0.001 0.000 0.267 152 H C -0.182 175.158 175.328 0.020 0.000 0.982 152 H CA 0.016 56.065 56.048 0.002 0.000 1.146 152 H CB -0.083 29.638 29.762 -0.068 0.000 1.382 152 H HN 0.135 nan 8.280 nan 0.000 0.577 153 Y N 0.633 121.028 120.300 0.157 0.000 2.304 153 Y HA 0.101 4.652 4.550 0.001 0.000 0.327 153 Y C 0.721 176.770 175.900 0.248 0.000 1.209 153 Y CA -0.242 57.963 58.100 0.176 0.000 1.299 153 Y CB 0.534 39.032 38.460 0.065 0.000 1.249 153 Y HN 0.237 nan 8.280 nan 0.000 0.519 154 H N 1.538 120.722 119.070 0.190 0.000 2.620 154 H HA 0.255 4.811 4.556 0.001 0.000 0.313 154 H C 0.369 175.761 175.328 0.105 0.000 1.075 154 H CA -0.094 56.025 56.048 0.119 0.000 1.397 154 H CB 1.512 31.345 29.762 0.119 0.000 1.446 154 H HN 0.947 nan 8.280 nan 0.000 0.493 155 A N 3.018 125.933 122.820 0.158 0.000 2.015 155 A HA -0.167 4.153 4.320 0.001 0.000 0.219 155 A C 1.482 179.121 177.584 0.092 0.000 1.163 155 A CA 1.431 53.525 52.037 0.095 0.000 0.646 155 A CB -0.106 18.919 19.000 0.042 0.000 0.806 155 A HN 0.812 nan 8.150 nan 0.000 0.448 156 D N -0.944 119.525 120.400 0.115 0.000 2.368 156 D HA 0.171 4.811 4.640 0.001 0.000 0.218 156 D C -0.174 176.196 176.300 0.117 0.000 1.112 156 D CA -0.124 53.934 54.000 0.096 0.000 0.834 156 D CB -0.327 40.519 40.800 0.077 0.000 0.953 156 D HN 0.079 nan 8.370 nan 0.000 0.505 157 V N 1.268 121.272 119.914 0.149 0.000 2.370 157 V HA 0.481 4.601 4.120 0.001 0.000 0.279 157 V C 1.411 177.564 176.094 0.098 0.000 1.029 157 V CA -0.258 62.123 62.300 0.135 0.000 0.870 157 V CB 1.157 33.076 31.823 0.161 0.000 0.984 157 V HN 0.233 nan 8.190 nan 0.000 0.451 158 A N 4.037 126.901 122.820 0.073 0.000 1.968 158 A HA -0.124 4.196 4.320 0.001 0.000 0.217 158 A C 1.718 179.348 177.584 0.077 0.000 1.169 158 A CA 1.623 53.690 52.037 0.051 0.000 0.638 158 A CB -0.234 18.777 19.000 0.018 0.000 0.812 158 A HN 0.916 nan 8.150 nan 0.000 0.446 159 Y N -1.115 119.134 120.300 -0.086 0.000 2.569 159 Y HA 0.217 4.767 4.550 0.001 0.000 0.278 159 Y C 0.748 176.486 175.900 -0.271 0.000 1.130 159 Y CA 0.403 58.397 58.100 -0.178 0.000 1.280 159 Y CB 0.245 38.449 38.460 -0.428 0.000 1.379 159 Y HN 0.344 nan 8.280 nan 0.000 0.508 160 H N 2.167 121.222 119.070 -0.025 0.000 3.220 160 H HA 0.181 4.737 4.556 0.001 0.000 0.225 160 H C -0.742 174.600 175.328 0.025 0.000 1.869 160 H CA -0.068 55.885 56.048 -0.158 0.000 1.428 160 H CB -0.916 28.500 29.762 -0.577 0.000 1.792 160 H HN 0.404 nan 8.280 nan 0.000 0.595 161 N N -0.821 117.930 118.700 0.086 0.000 3.091 161 N HA 0.036 4.776 4.740 0.001 0.000 0.329 161 N C 1.018 176.421 175.510 -0.179 0.000 1.430 161 N CA -0.948 52.177 53.050 0.126 0.000 0.755 161 N CB 0.307 38.848 38.487 0.090 0.000 1.626 161 N HN 0.118 nan 8.380 nan 0.000 0.614 162 N N 0.188 118.740 118.700 -0.246 0.000 2.289 162 N HA -0.138 4.602 4.740 0.001 0.000 0.184 162 N C 1.193 176.499 175.510 -0.340 0.000 1.016 162 N CA 1.287 54.036 53.050 -0.501 0.000 0.872 162 N CB -0.538 37.812 38.487 -0.228 0.000 0.973 162 N HN 0.687 nan 8.380 nan 0.000 0.433 163 I N 0.310 120.779 120.570 -0.168 0.000 2.252 163 I HA -0.218 3.953 4.170 0.001 0.000 0.245 163 I C 2.622 178.709 176.117 -0.050 0.000 1.102 163 I CA 1.377 62.613 61.300 -0.108 0.000 1.385 163 I CB -0.579 37.383 38.000 -0.062 0.000 1.064 163 I HN 0.173 nan 8.210 nan 0.000 0.414 164 H N 1.649 120.612 119.070 -0.179 0.000 2.353 164 H HA -0.114 4.442 4.556 0.001 0.000 0.300 164 H C 2.176 177.311 175.328 -0.322 0.000 1.090 164 H CA 1.753 57.554 56.048 -0.411 0.000 1.327 164 H CB -0.066 29.324 29.762 -0.621 0.000 1.383 164 H HN 0.265 nan 8.280 nan 0.000 0.508 165 A N 0.976 123.506 122.820 -0.484 0.000 1.883 165 A HA -0.101 4.219 4.320 0.001 0.000 0.217 165 A C 2.662 180.043 177.584 -0.340 0.000 1.186 165 A CA 2.009 53.756 52.037 -0.484 0.000 0.624 165 A CB -1.455 17.053 19.000 -0.820 0.000 0.822 165 A HN 0.642 nan 8.150 nan 0.000 0.444 166 A N -0.174 122.460 122.820 -0.311 0.000 1.902 166 A HA -0.193 4.127 4.320 0.001 0.000 0.217 166 A C 1.847 179.308 177.584 -0.205 0.000 1.181 166 A CA 2.216 54.125 52.037 -0.214 0.000 0.623 166 A CB -0.682 18.207 19.000 -0.185 0.000 0.818 166 A HN 0.577 nan 8.150 nan 0.000 0.443 167 D N -0.597 119.654 120.400 -0.249 0.000 2.117 167 D HA -0.106 4.535 4.640 0.001 0.000 0.198 167 D C 1.748 177.862 176.300 -0.309 0.000 0.982 167 D CA 1.500 55.341 54.000 -0.264 0.000 0.828 167 D CB -0.075 40.564 40.800 -0.268 0.000 0.967 167 D HN 0.142 nan 8.370 nan 0.000 0.464 168 V N -0.137 119.549 119.914 -0.380 0.000 2.358 168 V HA -0.183 3.937 4.120 0.001 0.000 0.246 168 V C 2.637 178.619 176.094 -0.187 0.000 1.047 168 V CA 1.139 63.244 62.300 -0.325 0.000 1.035 168 V CB -0.337 31.232 31.823 -0.422 0.000 0.658 168 V HN 0.150 nan 8.190 nan 0.000 0.452 169 V N -0.149 119.680 119.914 -0.141 0.000 2.255 169 V HA -0.326 3.795 4.120 0.001 0.000 0.247 169 V C 2.543 178.636 176.094 -0.002 0.000 1.051 169 V CA 2.426 64.697 62.300 -0.049 0.000 1.018 169 V CB -0.639 31.163 31.823 -0.035 0.000 0.641 169 V HN 0.567 nan 8.190 nan 0.000 0.445 170 Q N -0.358 119.418 119.800 -0.040 0.000 2.119 170 Q HA -0.156 4.185 4.340 0.001 0.000 0.201 170 Q C 2.395 178.428 176.000 0.055 0.000 0.972 170 Q CA 2.019 57.835 55.803 0.023 0.000 0.847 170 Q CB -0.078 28.634 28.738 -0.043 0.000 0.903 170 Q HN 0.674 nan 8.270 nan 0.000 0.433 171 S N 0.019 115.682 115.700 -0.062 0.000 2.355 171 S HA -0.100 4.370 4.470 0.001 0.000 0.222 171 S C 1.998 176.695 174.600 0.162 0.000 1.031 171 S CA 1.590 59.771 58.200 -0.030 0.000 0.993 171 S CB -0.463 62.603 63.200 -0.224 0.000 0.859 171 S HN 0.451 nan 8.310 nan 0.000 0.453 172 T N 1.001 115.588 114.554 0.056 0.000 2.665 172 T HA -0.216 4.135 4.350 0.001 0.000 0.268 172 T C 1.731 176.494 174.700 0.105 0.000 1.035 172 T CA 2.012 64.137 62.100 0.041 0.000 1.151 172 T CB -0.580 68.279 68.868 -0.015 0.000 0.862 172 T HN 0.612 nan 8.240 nan 0.000 0.438 173 H N 0.842 119.942 119.070 0.050 0.000 2.353 173 H HA -0.065 4.491 4.556 0.001 0.000 0.298 173 H C 1.961 177.353 175.328 0.107 0.000 1.103 173 H CA 1.705 57.793 56.048 0.067 0.000 1.293 173 H CB -0.606 29.191 29.762 0.058 0.000 1.372 173 H HN 0.181 nan 8.280 nan 0.000 0.501 174 V N 0.593 120.513 119.914 0.010 0.000 2.358 174 V HA -0.203 3.918 4.120 0.001 0.000 0.246 174 V C 2.737 178.875 176.094 0.074 0.000 1.047 174 V CA 1.683 63.999 62.300 0.027 0.000 1.035 174 V CB -0.580 31.429 31.823 0.309 0.000 0.658 174 V HN 0.412 nan 8.190 nan 0.000 0.452 175 L N -0.731 120.582 121.223 0.151 0.000 2.131 175 L HA -0.158 4.182 4.340 0.001 0.000 0.210 175 L C 2.361 179.328 176.870 0.161 0.000 1.092 175 L CA 1.334 56.264 54.840 0.150 0.000 0.759 175 L CB -0.490 41.602 42.059 0.055 0.000 0.903 175 L HN 0.309 nan 8.230 nan 0.000 0.435 176 L N -0.887 120.391 121.223 0.090 0.000 2.201 176 L HA -0.137 4.203 4.340 0.001 0.000 0.212 176 L C 2.208 179.136 176.870 0.097 0.000 1.105 176 L CA 0.766 55.669 54.840 0.105 0.000 0.775 176 L CB -0.201 41.894 42.059 0.059 0.000 0.913 176 L HN 0.168 nan 8.230 nan 0.000 0.440 177 S N -1.718 113.992 115.700 0.017 0.000 2.593 177 S HA -0.029 4.442 4.470 0.001 0.000 0.217 177 S C 0.924 175.543 174.600 0.031 0.000 0.966 177 S CA 0.039 58.238 58.200 -0.001 0.000 0.914 177 S CB -0.232 62.915 63.200 -0.089 0.000 0.776 177 S HN 0.318 nan 8.310 nan 0.000 0.523 178 T N 3.546 118.144 114.554 0.073 0.000 2.902 178 T HA 0.080 4.431 4.350 0.001 0.000 0.301 178 T C -1.622 173.096 174.700 0.031 0.000 1.012 178 T CA -1.422 60.715 62.100 0.061 0.000 1.151 178 T CB 0.660 69.599 68.868 0.118 0.000 0.946 178 T HN 0.017 nan 8.240 nan 0.000 0.542 179 P HA -0.111 nan 4.420 nan 0.000 0.217 179 P C 1.195 178.479 177.300 -0.027 0.000 1.151 179 P CA 1.253 64.343 63.100 -0.015 0.000 0.849 179 P CB -0.026 31.656 31.700 -0.030 0.000 0.787 180 A N -1.261 121.534 122.820 -0.042 0.000 2.125 180 A HA -0.095 4.225 4.320 0.001 0.000 0.219 180 A C 1.848 179.393 177.584 -0.066 0.000 1.156 180 A CA 1.183 53.179 52.037 -0.069 0.000 0.671 180 A CB -1.288 17.648 19.000 -0.106 0.000 0.794 180 A HN 0.204 nan 8.150 nan 0.000 0.459 181 L N -0.692 120.518 121.223 -0.021 0.000 2.857 181 L HA 0.186 4.526 4.340 0.001 0.000 0.249 181 L C 0.613 177.482 176.870 -0.001 0.000 1.172 181 L CA -0.318 54.517 54.840 -0.008 0.000 0.980 181 L CB 0.078 42.218 42.059 0.135 0.000 1.299 181 L HN 0.381 nan 8.230 nan 0.000 0.535 182 E N 1.452 121.648 120.200 -0.007 0.000 2.480 182 E HA 0.082 4.433 4.350 0.001 0.000 0.258 182 E C 1.145 177.733 176.600 -0.020 0.000 0.984 182 E CA 0.755 57.156 56.400 0.001 0.000 0.930 182 E CB 0.517 30.213 29.700 -0.006 0.000 0.936 182 E HN 0.317 nan 8.360 nan 0.000 0.466 183 A N 2.832 125.653 122.820 0.002 0.000 2.945 183 A HA -0.239 4.082 4.320 0.001 0.000 0.263 183 A C 1.160 178.711 177.584 -0.055 0.000 1.293 183 A CA 1.150 53.181 52.037 -0.010 0.000 0.944 183 A CB -2.046 16.943 19.000 -0.018 0.000 1.093 183 A HN 0.479 nan 8.150 nan 0.000 0.786 184 V N -1.748 118.091 119.914 -0.124 0.000 2.407 184 V HA 0.074 4.194 4.120 0.001 0.000 0.245 184 V C 1.225 177.091 176.094 -0.381 0.000 1.041 184 V CA 1.855 63.960 62.300 -0.326 0.000 1.040 184 V CB -0.411 31.085 31.823 -0.544 0.000 0.671 184 V HN 0.520 nan 8.190 nan 0.000 0.455 185 F N 0.753 120.723 119.950 0.033 0.000 2.397 185 F HA 0.467 4.994 4.527 0.000 0.000 0.331 185 F C 1.017 176.849 175.800 0.053 0.000 1.090 185 F CA -0.962 57.066 58.000 0.047 0.000 1.065 185 F CB 0.779 39.813 39.000 0.056 0.000 1.184 185 F HN -0.028 nan 8.300 nan 0.000 0.499 186 T N -2.064 112.651 114.554 0.270 0.000 2.788 186 T HA 0.111 4.462 4.350 0.001 0.000 0.287 186 T C 0.800 175.620 174.700 0.200 0.000 1.007 186 T CA -0.726 61.485 62.100 0.184 0.000 1.005 186 T CB 0.770 69.734 68.868 0.160 0.000 1.012 186 T HN 0.502 nan 8.240 nan 0.000 0.530 187 D N -0.034 120.476 120.400 0.183 0.000 2.149 187 D HA -0.081 4.559 4.640 0.001 0.000 0.198 187 D C 1.896 178.428 176.300 0.387 0.000 0.990 187 D CA 0.754 54.903 54.000 0.249 0.000 0.839 187 D CB -0.232 40.653 40.800 0.141 0.000 0.948 187 D HN 0.394 nan 8.370 nan 0.000 0.460 188 L N 1.233 122.677 121.223 0.368 0.000 2.093 188 L HA -0.127 4.213 4.340 0.001 0.000 0.208 188 L C 2.000 178.905 176.870 0.058 0.000 1.085 188 L CA 1.630 56.574 54.840 0.172 0.000 0.755 188 L CB -0.261 41.880 42.059 0.137 0.000 0.904 188 L HN -0.069 nan 8.230 nan 0.000 0.435 189 E N -0.576 119.693 120.200 0.115 0.000 2.072 189 E HA -0.213 4.137 4.350 0.001 0.000 0.191 189 E C 2.260 178.856 176.600 -0.007 0.000 0.985 189 E CA 1.518 57.962 56.400 0.075 0.000 0.801 189 E CB -0.162 29.646 29.700 0.180 0.000 0.750 189 E HN 0.523 nan 8.360 nan 0.000 0.452 190 I N 0.679 121.275 120.570 0.043 0.000 2.179 190 I HA -0.260 3.910 4.170 0.001 0.000 0.242 190 I C 2.411 178.532 176.117 0.006 0.000 1.088 190 I CA 0.574 61.884 61.300 0.017 0.000 1.357 190 I CB -0.137 37.912 38.000 0.082 0.000 1.051 190 I HN 0.149 nan 8.210 nan 0.000 0.409 191 L N 1.143 122.365 121.223 -0.000 0.000 2.042 191 L HA -0.199 4.142 4.340 0.001 0.000 0.210 191 L C 2.542 179.438 176.870 0.042 0.000 1.076 191 L CA 2.207 57.017 54.840 -0.051 0.000 0.749 191 L CB -0.794 41.116 42.059 -0.248 0.000 0.893 191 L HN 0.209 nan 8.230 nan 0.000 0.432 192 A N -0.551 122.268 122.820 -0.000 0.000 1.877 192 A HA -0.120 4.201 4.320 0.001 0.000 0.216 192 A C 2.453 180.100 177.584 0.105 0.000 1.186 192 A CA 1.969 54.039 52.037 0.056 0.000 0.620 192 A CB -1.232 17.778 19.000 0.017 0.000 0.822 192 A HN 0.585 nan 8.150 nan 0.000 0.443 193 A N -0.267 122.568 122.820 0.025 0.000 1.902 193 A HA -0.044 4.277 4.320 0.001 0.000 0.217 193 A C 2.131 179.744 177.584 0.047 0.000 1.181 193 A CA 1.518 53.551 52.037 -0.008 0.000 0.623 193 A CB -0.556 18.379 19.000 -0.108 0.000 0.818 193 A HN 0.504 nan 8.150 nan 0.000 0.443 194 I N -2.119 118.510 120.570 0.098 0.000 2.286 194 I HA -0.166 4.005 4.170 0.001 0.000 0.245 194 I C 2.340 178.598 176.117 0.235 0.000 1.104 194 I CA 1.340 62.733 61.300 0.155 0.000 1.397 194 I CB -0.337 37.767 38.000 0.173 0.000 1.072 194 I HN 0.426 nan 8.210 nan 0.000 0.417 195 F N 1.988 122.040 119.950 0.171 0.000 2.134 195 F HA -0.211 4.316 4.527 0.000 0.000 0.299 195 F C 2.472 178.340 175.800 0.113 0.000 1.097 195 F CA 1.373 59.493 58.000 0.200 0.000 1.264 195 F CB -0.317 38.843 39.000 0.267 0.000 1.001 195 F HN -0.005 nan 8.300 nan 0.000 0.479 196 A N -0.417 122.461 122.820 0.096 0.000 1.883 196 A HA -0.187 4.134 4.320 0.001 0.000 0.217 196 A C 2.366 179.926 177.584 -0.039 0.000 1.186 196 A CA 2.126 54.155 52.037 -0.013 0.000 0.624 196 A CB -1.318 17.716 19.000 0.056 0.000 0.822 196 A HN 0.439 nan 8.150 nan 0.000 0.444 197 S N -0.073 115.617 115.700 -0.017 0.000 2.370 197 S HA -0.076 4.394 4.470 0.001 0.000 0.226 197 S C 2.286 176.926 174.600 0.067 0.000 1.033 197 S CA 1.259 59.448 58.200 -0.018 0.000 1.011 197 S CB -0.499 62.669 63.200 -0.054 0.000 0.852 197 S HN 0.817 nan 8.310 nan 0.000 0.457 198 A N 1.724 124.529 122.820 -0.024 0.000 1.933 198 A HA -0.022 4.298 4.320 0.001 0.000 0.218 198 A C 2.079 179.639 177.584 -0.040 0.000 1.175 198 A CA 1.470 53.478 52.037 -0.049 0.000 0.628 198 A CB -0.703 18.264 19.000 -0.054 0.000 0.814 198 A HN 0.691 nan 8.150 nan 0.000 0.444 199 I N -3.081 117.376 120.570 -0.189 0.000 3.793 199 I HA 0.040 4.210 4.170 0.001 0.000 0.315 199 I C 1.938 177.984 176.117 -0.120 0.000 1.275 199 I CA 0.763 61.946 61.300 -0.195 0.000 1.214 199 I CB -0.550 37.172 38.000 -0.464 0.000 1.018 199 I HN 0.495 nan 8.210 nan 0.000 0.439 200 H N 0.658 119.668 119.070 -0.100 0.000 2.489 200 H HA -0.112 4.445 4.556 0.001 0.000 0.295 200 H C 0.102 175.275 175.328 -0.258 0.000 1.082 200 H CA 1.482 57.474 56.048 -0.093 0.000 1.295 200 H CB -0.136 29.600 29.762 -0.044 0.000 1.380 200 H HN 0.402 nan 8.280 nan 0.000 0.548 201 D N 1.132 121.019 120.400 -0.854 0.000 2.599 201 D HA 0.122 4.763 4.640 0.001 0.000 0.249 201 D C -0.171 175.667 176.300 -0.770 0.000 1.313 201 D CA -0.283 53.078 54.000 -1.064 0.000 0.815 201 D CB 0.832 41.404 40.800 -0.380 0.000 1.077 201 D HN 0.114 nan 8.370 nan 0.000 0.492 202 V N 1.398 120.868 119.914 -0.740 0.000 2.673 202 V HA -0.002 4.118 4.120 0.001 0.000 0.303 202 V C 0.735 176.650 176.094 -0.299 0.000 1.046 202 V CA 0.774 62.472 62.300 -1.004 0.000 1.126 202 V CB 0.825 32.237 31.823 -0.684 0.000 0.934 202 V HN 0.351 nan 8.190 nan 0.000 0.487 203 D N 3.014 123.250 120.400 -0.274 0.000 2.981 203 D HA -0.216 4.425 4.640 0.001 0.000 0.223 203 D C 0.174 176.478 176.300 0.007 0.000 1.151 203 D CA 1.234 55.287 54.000 0.088 0.000 0.827 203 D CB -1.577 39.367 40.800 0.240 0.000 1.101 203 D HN 0.882 nan 8.370 nan 0.000 0.426 204 H N 0.146 119.129 119.070 -0.145 0.000 2.929 204 H HA 0.130 4.687 4.556 0.001 0.000 0.317 204 H C -1.481 173.610 175.328 -0.395 0.000 1.031 204 H CA -0.204 55.802 56.048 -0.069 0.000 1.466 204 H CB 1.251 31.014 29.762 0.001 0.000 1.482 204 H HN 0.135 nan 8.280 nan 0.000 0.561 205 P HA 0.086 nan 4.420 nan 0.000 0.249 205 P C 0.609 177.980 177.300 0.119 0.000 1.229 205 P CA 1.085 64.162 63.100 -0.039 0.000 0.788 205 P CB 0.548 32.254 31.700 0.009 0.000 1.072 206 G N -0.163 108.842 108.800 0.341 0.000 2.132 206 G HA2 -0.146 3.814 3.960 0.001 0.000 0.234 206 G HA3 -0.146 3.814 3.960 0.001 0.000 0.234 206 G C -0.003 174.984 174.900 0.145 0.000 0.989 206 G CA 0.065 45.310 45.100 0.242 0.000 0.676 206 G HN 0.561 nan 8.290 nan 0.000 0.522 207 V N -2.134 117.848 119.914 0.114 0.000 2.962 207 V HA 0.955 5.075 4.120 0.001 0.000 0.313 207 V C 0.516 176.654 176.094 0.073 0.000 1.099 207 V CA -0.149 62.127 62.300 -0.041 0.000 0.971 207 V CB 1.564 33.178 31.823 -0.348 0.000 1.028 207 V HN 1.433 nan 8.190 nan 0.000 0.430 208 S N 1.730 117.481 115.700 0.084 0.000 2.624 208 S HA 0.283 4.753 4.470 0.001 0.000 0.263 208 S C 0.787 175.443 174.600 0.093 0.000 1.287 208 S CA -0.081 58.176 58.200 0.095 0.000 0.990 208 S CB 0.606 63.846 63.200 0.066 0.000 0.950 208 S HN 0.814 nan 8.310 nan 0.000 0.561 209 N N 0.830 119.561 118.700 0.052 0.000 2.104 209 N HA -0.155 4.586 4.740 0.001 0.000 0.190 209 N C 1.735 177.277 175.510 0.053 0.000 1.024 209 N CA 1.604 54.674 53.050 0.034 0.000 0.853 209 N CB -0.783 37.717 38.487 0.021 0.000 1.008 209 N HN 0.764 nan 8.380 nan 0.000 0.424 210 Q N 0.050 119.886 119.800 0.060 0.000 2.084 210 Q HA -0.040 4.300 4.340 0.001 0.000 0.202 210 Q C 1.856 177.896 176.000 0.066 0.000 0.978 210 Q CA 1.142 56.973 55.803 0.047 0.000 0.844 210 Q CB -0.565 28.193 28.738 0.034 0.000 0.898 210 Q HN 0.408 nan 8.270 nan 0.000 0.426 211 F N -0.191 119.747 119.950 -0.021 0.000 2.102 211 F HA -0.165 4.362 4.527 0.001 0.000 0.298 211 F C 1.545 177.337 175.800 -0.014 0.000 1.105 211 F CA 1.369 59.361 58.000 -0.014 0.000 1.239 211 F CB -0.135 38.862 39.000 -0.004 0.000 0.991 211 F HN 0.094 nan 8.300 nan 0.000 0.474 212 L N -0.160 121.157 121.223 0.157 0.000 2.083 212 L HA -0.230 4.110 4.340 0.001 0.000 0.209 212 L C 2.421 179.257 176.870 -0.057 0.000 1.083 212 L CA 1.288 56.154 54.840 0.044 0.000 0.752 212 L CB -0.646 41.450 42.059 0.061 0.000 0.899 212 L HN 0.213 nan 8.230 nan 0.000 0.433 213 I N -0.192 120.354 120.570 -0.040 0.000 2.202 213 I HA -0.246 3.924 4.170 0.001 0.000 0.242 213 I C 2.075 178.136 176.117 -0.093 0.000 1.091 213 I CA 1.034 62.305 61.300 -0.048 0.000 1.368 213 I CB -0.339 37.648 38.000 -0.021 0.000 1.058 213 I HN 0.303 nan 8.210 nan 0.000 0.410 214 N N 0.326 118.947 118.700 -0.132 0.000 2.309 214 N HA -0.117 4.624 4.740 0.001 0.000 0.182 214 N C 1.630 177.005 175.510 -0.224 0.000 1.018 214 N CA 1.770 54.723 53.050 -0.161 0.000 0.876 214 N CB -0.437 37.951 38.487 -0.166 0.000 0.972 214 N HN 0.451 nan 8.380 nan 0.000 0.434 215 T N -2.307 112.052 114.554 -0.326 0.000 3.122 215 T HA 0.133 4.484 4.350 0.001 0.000 0.250 215 T C 0.198 174.794 174.700 -0.173 0.000 1.067 215 T CA -0.436 61.474 62.100 -0.317 0.000 0.966 215 T CB -0.131 68.413 68.868 -0.540 0.000 1.002 215 T HN 0.041 nan 8.240 nan 0.000 0.542 216 N N 2.182 120.806 118.700 -0.127 0.000 2.727 216 N HA -0.160 4.581 4.740 0.001 0.000 0.249 216 N C 0.061 175.532 175.510 -0.065 0.000 1.048 216 N CA 1.031 54.033 53.050 -0.079 0.000 0.714 216 N CB -1.845 36.603 38.487 -0.066 0.000 0.959 216 N HN 0.894 nan 8.380 nan 0.000 0.544 217 S N -0.779 114.882 115.700 -0.065 0.000 2.584 217 S HA 0.163 4.633 4.470 0.001 0.000 0.270 217 S C 1.401 175.980 174.600 -0.035 0.000 1.346 217 S CA -0.488 57.689 58.200 -0.039 0.000 1.018 217 S CB 1.686 64.875 63.200 -0.018 0.000 0.899 217 S HN 0.107 nan 8.310 nan 0.000 0.542 218 E N 0.958 121.138 120.200 -0.033 0.000 2.085 218 E HA -0.122 4.228 4.350 0.001 0.000 0.194 218 E C 1.876 178.439 176.600 -0.061 0.000 0.994 218 E CA 1.162 57.534 56.400 -0.046 0.000 0.801 218 E CB -0.495 29.180 29.700 -0.041 0.000 0.743 218 E HN 0.710 nan 8.360 nan 0.000 0.453 219 L N 0.243 121.434 121.223 -0.054 0.000 2.017 219 L HA -0.168 4.172 4.340 0.001 0.000 0.208 219 L C 2.511 179.408 176.870 0.045 0.000 1.073 219 L CA 1.210 56.034 54.840 -0.026 0.000 0.745 219 L CB -0.447 41.570 42.059 -0.070 0.000 0.894 219 L HN 0.073 nan 8.230 nan 0.000 0.432 220 A N -0.277 122.553 122.820 0.017 0.000 1.969 220 A HA -0.144 4.176 4.320 0.001 0.000 0.218 220 A C 2.220 179.808 177.584 0.008 0.000 1.169 220 A CA 1.257 53.311 52.037 0.029 0.000 0.635 220 A CB -0.568 18.431 19.000 -0.001 0.000 0.810 220 A HN 0.364 nan 8.150 nan 0.000 0.445 221 L N -1.413 119.793 121.223 -0.029 0.000 2.093 221 L HA -0.139 4.201 4.340 0.001 0.000 0.208 221 L C 2.785 179.602 176.870 -0.088 0.000 1.085 221 L CA 1.591 56.402 54.840 -0.048 0.000 0.755 221 L CB -0.350 41.678 42.059 -0.052 0.000 0.904 221 L HN 0.554 nan 8.230 nan 0.000 0.435 222 M N -1.199 118.307 119.600 -0.156 0.000 2.117 222 M HA -0.237 4.243 4.480 0.001 0.000 0.262 222 M C 1.279 177.332 176.300 -0.410 0.000 1.065 222 M CA 1.938 57.031 55.300 -0.346 0.000 1.114 222 M CB 0.068 32.331 32.600 -0.560 0.000 1.361 222 M HN 0.127 nan 8.290 nan 0.000 0.408 223 Y N 0.647 120.938 120.300 -0.015 0.000 2.555 223 Y HA 0.264 4.815 4.550 0.000 0.000 0.259 223 Y C 0.326 176.222 175.900 -0.007 0.000 1.179 223 Y CA -0.623 57.473 58.100 -0.007 0.000 1.230 223 Y CB -0.234 38.220 38.460 -0.010 0.000 1.146 223 Y HN 0.347 nan 8.280 nan 0.000 0.526 224 N N 1.339 120.089 118.700 0.083 0.000 2.727 224 N HA -0.242 4.499 4.740 0.001 0.000 0.249 224 N C -0.636 174.908 175.510 0.057 0.000 1.048 224 N CA 1.372 54.454 53.050 0.052 0.000 0.714 224 N CB -1.117 37.397 38.487 0.045 0.000 0.959 224 N HN 0.466 nan 8.380 nan 0.000 0.544 225 D N -2.413 118.023 120.400 0.060 0.000 3.070 225 D HA -0.163 4.478 4.640 0.001 0.000 0.220 225 D C -0.700 175.625 176.300 0.041 0.000 1.176 225 D CA 1.583 55.608 54.000 0.041 0.000 0.924 225 D CB -1.421 39.391 40.800 0.020 0.000 1.124 225 D HN 0.502 nan 8.370 nan 0.000 0.411 226 S N -0.307 115.428 115.700 0.058 0.000 2.474 226 S HA 0.422 4.892 4.470 0.001 0.000 0.321 226 S C 0.359 174.967 174.600 0.012 0.000 1.080 226 S CA -0.473 57.751 58.200 0.040 0.000 1.106 226 S CB 1.959 65.188 63.200 0.049 0.000 0.984 226 S HN 0.159 nan 8.310 nan 0.000 0.464 227 S N 1.468 117.164 115.700 -0.006 0.000 3.477 227 S HA -0.137 4.333 4.470 0.001 0.000 0.371 227 S C 1.388 175.915 174.600 -0.121 0.000 0.965 227 S CA 0.358 58.534 58.200 -0.040 0.000 1.239 227 S CB -1.590 61.589 63.200 -0.035 0.000 0.918 227 S HN 0.631 nan 8.310 nan 0.000 0.498 228 V N 0.697 120.560 119.914 -0.086 0.000 2.233 228 V HA -0.262 3.858 4.120 0.001 0.000 0.247 228 V C 2.274 178.211 176.094 -0.262 0.000 1.050 228 V CA 2.522 64.755 62.300 -0.111 0.000 1.010 228 V CB -0.498 31.321 31.823 -0.006 0.000 0.637 228 V HN 0.686 nan 8.190 nan 0.000 0.444 229 L N -0.493 120.586 121.223 -0.240 0.000 2.046 229 L HA -0.207 4.133 4.340 0.001 0.000 0.208 229 L C 2.614 179.120 176.870 -0.607 0.000 1.077 229 L CA 1.627 56.202 54.840 -0.442 0.000 0.747 229 L CB -0.589 41.270 42.059 -0.334 0.000 0.896 229 L HN 0.339 nan 8.230 nan 0.000 0.432 230 E N -0.215 119.845 120.200 -0.233 0.000 2.106 230 E HA -0.161 4.190 4.350 0.001 0.000 0.192 230 E C 1.984 178.496 176.600 -0.146 0.000 0.984 230 E CA 0.783 57.164 56.400 -0.031 0.000 0.806 230 E CB -0.217 29.523 29.700 0.066 0.000 0.750 230 E HN 0.349 nan 8.360 nan 0.000 0.458 231 N N -0.030 118.469 118.700 -0.334 0.000 2.120 231 N HA -0.178 4.563 4.740 0.001 0.000 0.188 231 N C 1.778 177.038 175.510 -0.416 0.000 1.024 231 N CA 1.196 53.966 53.050 -0.467 0.000 0.852 231 N CB -0.210 37.687 38.487 -0.984 0.000 1.003 231 N HN 0.260 nan 8.380 nan 0.000 0.424 232 H N 0.806 119.520 119.070 -0.593 0.000 2.357 232 H HA -0.039 4.517 4.556 0.001 0.000 0.301 232 H C 1.837 177.079 175.328 -0.144 0.000 1.082 232 H CA 1.704 57.597 56.048 -0.259 0.000 1.342 232 H CB -0.117 29.498 29.762 -0.245 0.000 1.389 232 H HN 0.282 nan 8.280 nan 0.000 0.511 233 H N 0.014 118.993 119.070 -0.153 0.000 2.319 233 H HA -0.117 4.440 4.556 0.001 0.000 0.299 233 H C 2.624 177.839 175.328 -0.187 0.000 1.092 233 H CA 1.497 57.423 56.048 -0.203 0.000 1.302 233 H CB -0.584 29.111 29.762 -0.111 0.000 1.373 233 H HN 0.347 nan 8.280 nan 0.000 0.497 234 L N 0.179 121.411 121.223 0.014 0.000 2.017 234 L HA -0.173 4.168 4.340 0.001 0.000 0.208 234 L C 2.909 179.856 176.870 0.128 0.000 1.073 234 L CA 1.151 56.011 54.840 0.035 0.000 0.745 234 L CB -0.559 41.602 42.059 0.169 0.000 0.894 234 L HN 0.229 nan 8.230 nan 0.000 0.432 235 A N -0.522 122.368 122.820 0.116 0.000 1.883 235 A HA -0.172 4.148 4.320 0.001 0.000 0.217 235 A C 2.319 179.951 177.584 0.080 0.000 1.186 235 A CA 2.043 54.181 52.037 0.168 0.000 0.624 235 A CB -0.895 18.216 19.000 0.185 0.000 0.822 235 A HN 0.213 nan 8.150 nan 0.000 0.444 236 V N -0.199 119.650 119.914 -0.108 0.000 2.307 236 V HA -0.145 3.975 4.120 0.001 0.000 0.245 236 V C 2.838 178.888 176.094 -0.074 0.000 1.045 236 V CA 1.907 64.119 62.300 -0.147 0.000 1.024 236 V CB -1.472 30.168 31.823 -0.306 0.000 0.651 236 V HN 0.614 nan 8.190 nan 0.000 0.449 237 G N -0.735 108.009 108.800 -0.094 0.000 2.442 237 G HA2 -0.244 3.717 3.960 0.001 0.000 0.219 237 G HA3 -0.244 3.717 3.960 0.001 0.000 0.219 237 G C 1.439 176.420 174.900 0.134 0.000 1.141 237 G CA 0.857 45.918 45.100 -0.064 0.000 0.763 237 G HN 0.448 nan 8.290 nan 0.000 0.554 238 F N 0.901 120.983 119.950 0.220 0.000 2.187 238 F HA 0.153 4.680 4.527 0.001 0.000 0.295 238 F C 2.471 178.366 175.800 0.158 0.000 1.091 238 F CA 1.213 59.350 58.000 0.228 0.000 1.308 238 F CB -0.259 38.838 39.000 0.161 0.000 1.030 238 F HN 0.065 nan 8.300 nan 0.000 0.487 239 K N 1.079 121.646 120.400 0.279 0.000 2.097 239 K HA -0.117 4.203 4.320 0.001 0.000 0.206 239 K C 1.753 178.434 176.600 0.135 0.000 1.049 239 K CA 1.429 57.813 56.287 0.163 0.000 0.933 239 K CB -0.683 31.874 32.500 0.095 0.000 0.717 239 K HN 0.292 nan 8.250 nan 0.000 0.442 240 L N 0.446 121.751 121.223 0.137 0.000 2.275 240 L HA -0.083 4.257 4.340 0.001 0.000 0.215 240 L C 1.968 179.015 176.870 0.296 0.000 1.119 240 L CA 0.551 55.470 54.840 0.132 0.000 0.790 240 L CB -0.357 41.704 42.059 0.004 0.000 0.919 240 L HN 0.166 nan 8.230 nan 0.000 0.443 241 L N -0.686 120.727 121.223 0.317 0.000 2.265 241 L HA -0.202 4.139 4.340 0.001 0.000 0.215 241 L C 2.294 179.233 176.870 0.114 0.000 1.117 241 L CA 1.018 55.956 54.840 0.163 0.000 0.782 241 L CB -0.388 41.728 42.059 0.095 0.000 0.914 241 L HN 0.367 nan 8.230 nan 0.000 0.441 242 Q N -0.584 119.287 119.800 0.118 0.000 2.451 242 Q HA 0.005 4.346 4.340 0.001 0.000 0.206 242 Q C 0.248 176.289 176.000 0.068 0.000 0.947 242 Q CA 0.097 55.948 55.803 0.080 0.000 0.937 242 Q CB 0.255 29.038 28.738 0.074 0.000 1.025 242 Q HN 0.404 nan 8.270 nan 0.000 0.511 243 E N 1.582 121.830 120.200 0.081 0.000 2.392 243 E HA -0.004 4.347 4.350 0.001 0.000 0.256 243 E C -0.375 176.259 176.600 0.056 0.000 1.145 243 E CA -0.015 56.423 56.400 0.064 0.000 0.929 243 E CB 0.457 30.195 29.700 0.064 0.000 0.998 243 E HN 0.164 nan 8.360 nan 0.000 0.442 244 E N 1.519 121.744 120.200 0.042 0.000 2.480 244 E HA -0.159 4.191 4.350 0.001 0.000 0.258 244 E C -0.039 176.580 176.600 0.032 0.000 0.984 244 E CA 0.183 56.602 56.400 0.032 0.000 0.930 244 E CB 0.046 29.761 29.700 0.025 0.000 0.936 244 E HN 0.422 nan 8.360 nan 0.000 0.466 245 N N 2.873 121.588 118.700 0.025 0.000 2.735 245 N HA -0.217 4.523 4.740 0.001 0.000 0.248 245 N C -0.754 174.773 175.510 0.029 0.000 1.083 245 N CA 0.933 53.994 53.050 0.019 0.000 0.703 245 N CB -1.451 37.043 38.487 0.012 0.000 1.005 245 N HN 0.469 nan 8.380 nan 0.000 0.550 246 C N -1.151 118.177 119.300 0.046 0.000 3.336 246 C HA 0.258 4.718 4.460 0.001 0.000 0.291 246 C C 0.574 175.558 174.990 -0.011 0.000 1.363 246 C CA -0.525 58.552 59.018 0.098 0.000 1.737 246 C CB -0.444 27.412 27.740 0.194 0.000 2.274 246 C HN 0.518 nan 8.230 nan 0.000 0.663 247 D N 1.989 122.358 120.400 -0.052 0.000 2.435 247 D HA 0.139 4.779 4.640 0.001 0.000 0.230 247 D C 1.243 177.407 176.300 -0.227 0.000 1.215 247 D CA -0.173 53.750 54.000 -0.128 0.000 0.947 247 D CB 0.011 40.788 40.800 -0.037 0.000 1.048 247 D HN 0.597 nan 8.370 nan 0.000 0.512 248 I N -0.667 119.601 120.570 -0.504 0.000 3.001 248 I HA 0.014 4.184 4.170 0.001 0.000 0.268 248 I C 0.374 176.171 176.117 -0.533 0.000 1.267 248 I CA 0.543 61.509 61.300 -0.558 0.000 1.472 248 I CB -0.275 37.287 38.000 -0.730 0.000 1.089 248 I HN 0.027 nan 8.210 nan 0.000 0.468 249 F N 2.079 121.941 119.950 -0.148 0.000 2.647 249 F HA 0.201 4.728 4.527 0.001 0.000 0.300 249 F C 2.293 178.056 175.800 -0.062 0.000 1.106 249 F CA -0.586 57.336 58.000 -0.130 0.000 1.313 249 F CB -0.647 38.230 39.000 -0.204 0.000 1.007 249 F HN 0.202 nan 8.300 nan 0.000 0.536 250 Q N -0.023 119.816 119.800 0.065 0.000 2.234 250 Q HA -0.200 4.140 4.340 0.001 0.000 0.206 250 Q C 0.687 176.728 176.000 0.068 0.000 0.980 250 Q CA 1.774 57.609 55.803 0.054 0.000 0.869 250 Q CB -0.382 28.369 28.738 0.022 0.000 0.912 250 Q HN 0.255 nan 8.270 nan 0.000 0.436 251 N N -0.055 118.701 118.700 0.093 0.000 2.230 251 N HA 0.167 4.908 4.740 0.001 0.000 0.202 251 N C -0.582 175.004 175.510 0.127 0.000 1.119 251 N CA -0.021 53.088 53.050 0.098 0.000 0.851 251 N CB 0.390 38.935 38.487 0.096 0.000 0.990 251 N HN 0.126 nan 8.380 nan 0.000 0.497 252 L N 1.099 122.406 121.223 0.141 0.000 2.436 252 L HA 0.142 4.482 4.340 0.001 0.000 0.265 252 L C 1.455 178.368 176.870 0.071 0.000 1.168 252 L CA -0.030 54.888 54.840 0.131 0.000 0.815 252 L CB 0.477 42.580 42.059 0.073 0.000 1.109 252 L HN 0.094 nan 8.230 nan 0.000 0.462 253 T N -1.338 113.251 114.554 0.059 0.000 2.766 253 T HA 0.172 4.523 4.350 0.001 0.000 0.295 253 T C 1.145 175.846 174.700 0.003 0.000 1.024 253 T CA -0.462 61.655 62.100 0.029 0.000 1.018 253 T CB 0.495 69.380 68.868 0.027 0.000 1.002 253 T HN 0.539 nan 8.240 nan 0.000 0.532 254 K N 0.306 120.703 120.400 -0.006 0.000 2.032 254 K HA -0.152 4.168 4.320 0.001 0.000 0.209 254 K C 2.384 178.961 176.600 -0.039 0.000 1.048 254 K CA 1.716 57.989 56.287 -0.024 0.000 0.927 254 K CB -0.205 32.282 32.500 -0.021 0.000 0.712 254 K HN 0.679 nan 8.250 nan 0.000 0.441 255 K N 1.297 121.679 120.400 -0.029 0.000 2.097 255 K HA -0.203 4.118 4.320 0.001 0.000 0.206 255 K C 2.102 178.672 176.600 -0.049 0.000 1.049 255 K CA 1.471 57.735 56.287 -0.038 0.000 0.933 255 K CB 0.098 32.584 32.500 -0.024 0.000 0.717 255 K HN 0.166 nan 8.250 nan 0.000 0.442 256 Q N -0.044 119.736 119.800 -0.034 0.000 2.079 256 Q HA -0.135 4.206 4.340 0.001 0.000 0.200 256 Q C 2.197 178.120 176.000 -0.128 0.000 0.974 256 Q CA 1.536 57.310 55.803 -0.048 0.000 0.840 256 Q CB 0.016 28.760 28.738 0.009 0.000 0.898 256 Q HN 0.277 nan 8.270 nan 0.000 0.430 257 R N 0.410 120.833 120.500 -0.128 0.000 2.081 257 R HA -0.185 4.156 4.340 0.001 0.000 0.235 257 R C 2.359 178.548 176.300 -0.185 0.000 1.131 257 R CA 1.553 57.537 56.100 -0.192 0.000 0.960 257 R CB -0.222 30.002 30.300 -0.127 0.000 0.856 257 R HN 0.323 nan 8.270 nan 0.000 0.436 258 Q N 0.278 119.998 119.800 -0.132 0.000 2.050 258 Q HA -0.184 4.156 4.340 0.001 0.000 0.202 258 Q C 2.123 178.046 176.000 -0.129 0.000 0.980 258 Q CA 2.041 57.769 55.803 -0.125 0.000 0.840 258 Q CB -0.103 28.577 28.738 -0.097 0.000 0.898 258 Q HN 0.220 nan 8.270 nan 0.000 0.424 259 S N 0.038 115.666 115.700 -0.121 0.000 2.356 259 S HA -0.150 4.321 4.470 0.001 0.000 0.223 259 S C 1.940 176.481 174.600 -0.100 0.000 1.032 259 S CA 1.164 59.295 58.200 -0.114 0.000 1.005 259 S CB -0.394 62.752 63.200 -0.090 0.000 0.867 259 S HN 0.511 nan 8.310 nan 0.000 0.449 260 L N 1.636 122.767 121.223 -0.154 0.000 2.012 260 L HA -0.075 4.265 4.340 0.001 0.000 0.210 260 L C 2.629 179.440 176.870 -0.098 0.000 1.073 260 L CA 2.054 56.779 54.840 -0.193 0.000 0.748 260 L CB -0.476 41.318 42.059 -0.443 0.000 0.891 260 L HN 0.324 nan 8.230 nan 0.000 0.431 261 R N -0.006 120.419 120.500 -0.125 0.000 2.083 261 R HA -0.272 4.069 4.340 0.001 0.000 0.237 261 R C 2.461 178.782 176.300 0.035 0.000 1.137 261 R CA 2.229 58.290 56.100 -0.065 0.000 0.951 261 R CB -0.311 29.824 30.300 -0.275 0.000 0.851 261 R HN 0.366 nan 8.270 nan 0.000 0.434 262 K N 0.061 120.453 120.400 -0.013 0.000 2.026 262 K HA -0.148 4.172 4.320 0.001 0.000 0.208 262 K C 2.157 178.834 176.600 0.127 0.000 1.048 262 K CA 1.915 58.222 56.287 0.032 0.000 0.929 262 K CB -0.061 32.419 32.500 -0.034 0.000 0.713 262 K HN 0.218 nan 8.250 nan 0.000 0.439 263 M N 0.257 119.939 119.600 0.137 0.000 2.117 263 M HA -0.163 4.317 4.480 0.001 0.000 0.262 263 M C 2.148 178.546 176.300 0.162 0.000 1.065 263 M CA 1.281 56.696 55.300 0.193 0.000 1.114 263 M CB -0.096 32.604 32.600 0.166 0.000 1.361 263 M HN 0.020 nan 8.290 nan 0.000 0.408 264 V N 0.636 120.665 119.914 0.192 0.000 2.358 264 V HA -0.252 3.868 4.120 0.001 0.000 0.246 264 V C 2.182 178.414 176.094 0.230 0.000 1.047 264 V CA 1.647 64.089 62.300 0.237 0.000 1.035 264 V CB -0.507 31.543 31.823 0.379 0.000 0.658 264 V HN 0.407 nan 8.190 nan 0.000 0.452 265 I N 0.092 120.827 120.570 0.276 0.000 2.179 265 I HA -0.238 3.932 4.170 0.001 0.000 0.242 265 I C 2.301 178.504 176.117 0.143 0.000 1.088 265 I CA 1.677 63.112 61.300 0.226 0.000 1.357 265 I CB -0.492 37.627 38.000 0.198 0.000 1.051 265 I HN 0.301 nan 8.210 nan 0.000 0.409 266 D N 0.826 121.306 120.400 0.134 0.000 2.149 266 D HA -0.154 4.486 4.640 0.001 0.000 0.198 266 D C 2.219 178.557 176.300 0.064 0.000 0.990 266 D CA 1.403 55.462 54.000 0.099 0.000 0.839 266 D CB -0.164 40.709 40.800 0.121 0.000 0.948 266 D HN 0.360 nan 8.370 nan 0.000 0.460 267 I N 0.170 120.782 120.570 0.068 0.000 2.193 267 I HA -0.199 3.972 4.170 0.001 0.000 0.240 267 I C 2.401 178.544 176.117 0.043 0.000 1.084 267 I CA 0.563 61.885 61.300 0.036 0.000 1.365 267 I CB -0.167 37.850 38.000 0.028 0.000 1.064 267 I HN -0.127 nan 8.210 nan 0.000 0.410 268 V N 1.149 121.106 119.914 0.073 0.000 2.407 268 V HA -0.247 3.874 4.120 0.001 0.000 0.248 268 V C 2.361 178.511 176.094 0.093 0.000 1.055 268 V CA 1.533 63.890 62.300 0.094 0.000 1.049 268 V CB -0.520 31.366 31.823 0.106 0.000 0.662 268 V HN 0.375 nan 8.190 nan 0.000 0.455 269 L N 0.236 121.503 121.223 0.072 0.000 2.191 269 L HA -0.102 4.239 4.340 0.001 0.000 0.212 269 L C 2.515 179.403 176.870 0.030 0.000 1.103 269 L CA 1.298 56.168 54.840 0.051 0.000 0.769 269 L CB -0.636 41.449 42.059 0.042 0.000 0.908 269 L HN 0.368 nan 8.230 nan 0.000 0.438 270 A N -0.321 122.506 122.820 0.013 0.000 2.209 270 A HA -0.103 4.217 4.320 0.001 0.000 0.212 270 A C 2.216 179.760 177.584 -0.067 0.000 1.158 270 A CA 1.402 53.415 52.037 -0.041 0.000 0.742 270 A CB -0.688 18.278 19.000 -0.056 0.000 0.790 270 A HN 0.501 nan 8.150 nan 0.000 0.472 271 T N -2.470 112.102 114.554 0.031 0.000 3.113 271 T HA -0.001 4.349 4.350 0.001 0.000 0.256 271 T C 0.551 175.337 174.700 0.144 0.000 1.131 271 T CA 0.379 62.548 62.100 0.115 0.000 1.074 271 T CB -0.415 68.568 68.868 0.192 0.000 0.944 271 T HN 0.315 nan 8.240 nan 0.000 0.516 272 D N 1.325 121.779 120.400 0.090 0.000 2.434 272 D HA 0.024 4.664 4.640 0.001 0.000 0.252 272 D C 1.184 177.537 176.300 0.088 0.000 1.185 272 D CA -0.284 53.772 54.000 0.092 0.000 0.886 272 D CB 0.677 41.508 40.800 0.053 0.000 1.148 272 D HN -0.036 nan 8.370 nan 0.000 0.483 273 M N 2.697 122.380 119.600 0.137 0.000 2.358 273 M HA -0.155 4.326 4.480 0.001 0.000 0.264 273 M C 1.995 178.376 176.300 0.135 0.000 1.064 273 M CA 0.847 56.246 55.300 0.165 0.000 1.093 273 M CB -1.167 31.535 32.600 0.170 0.000 1.401 273 M HN 0.551 nan 8.290 nan 0.000 0.440 274 S N -0.234 115.520 115.700 0.091 0.000 2.474 274 S HA -0.077 4.393 4.470 0.001 0.000 0.235 274 S C 1.520 176.158 174.600 0.064 0.000 0.997 274 S CA 0.664 58.908 58.200 0.073 0.000 0.949 274 S CB -0.243 62.987 63.200 0.050 0.000 0.766 274 S HN 0.450 nan 8.310 nan 0.000 0.517 275 K N 0.256 120.683 120.400 0.044 0.000 2.404 275 K HA 0.102 4.422 4.320 0.001 0.000 0.194 275 K C 1.534 178.121 176.600 -0.021 0.000 1.023 275 K CA 0.540 56.827 56.287 -0.001 0.000 1.094 275 K CB -0.263 32.214 32.500 -0.039 0.000 0.841 275 K HN 0.649 nan 8.250 nan 0.000 0.523 276 H N 1.822 120.858 119.070 -0.056 0.000 2.319 276 H HA -0.074 4.483 4.556 0.001 0.000 0.297 276 H C 1.990 177.337 175.328 0.032 0.000 1.097 276 H CA 1.929 57.962 56.048 -0.025 0.000 1.285 276 H CB 0.172 30.022 29.762 0.147 0.000 1.368 276 H HN -0.086 nan 8.280 nan 0.000 0.495 277 M N 0.397 120.007 119.600 0.017 0.000 2.117 277 M HA -0.143 4.338 4.480 0.001 0.000 0.262 277 M C 1.790 178.040 176.300 -0.084 0.000 1.065 277 M CA 1.137 56.415 55.300 -0.036 0.000 1.114 277 M CB -0.815 31.838 32.600 0.088 0.000 1.361 277 M HN 0.396 nan 8.290 nan 0.000 0.408 278 N N 0.497 119.165 118.700 -0.055 0.000 2.216 278 N HA -0.083 4.657 4.740 0.001 0.000 0.183 278 N C 1.721 177.184 175.510 -0.078 0.000 1.017 278 N CA 0.781 53.801 53.050 -0.050 0.000 0.861 278 N CB -0.440 38.031 38.487 -0.027 0.000 0.986 278 N HN 0.170 nan 8.380 nan 0.000 0.428 279 L N 0.699 121.851 121.223 -0.119 0.000 2.046 279 L HA -0.058 4.282 4.340 0.001 0.000 0.208 279 L C 2.000 178.800 176.870 -0.117 0.000 1.077 279 L CA 1.115 55.880 54.840 -0.124 0.000 0.747 279 L CB -0.716 41.230 42.059 -0.188 0.000 0.896 279 L HN 0.116 nan 8.230 nan 0.000 0.432 280 L N -0.649 120.458 121.223 -0.193 0.000 2.056 280 L HA -0.035 4.306 4.340 0.001 0.000 0.207 280 L C 2.467 179.288 176.870 -0.082 0.000 1.078 280 L CA 1.964 56.708 54.840 -0.160 0.000 0.749 280 L CB -1.044 40.847 42.059 -0.280 0.000 0.901 280 L HN 0.235 nan 8.230 nan 0.000 0.433 281 A N -0.868 121.909 122.820 -0.072 0.000 1.933 281 A HA -0.203 4.117 4.320 0.001 0.000 0.218 281 A C 1.966 179.531 177.584 -0.032 0.000 1.175 281 A CA 1.853 53.868 52.037 -0.037 0.000 0.628 281 A CB -0.730 18.255 19.000 -0.025 0.000 0.814 281 A HN 0.514 nan 8.150 nan 0.000 0.444 282 D N -0.626 119.752 120.400 -0.037 0.000 2.183 282 D HA -0.084 4.557 4.640 0.001 0.000 0.203 282 D C 1.793 178.078 176.300 -0.025 0.000 0.969 282 D CA 0.895 54.878 54.000 -0.029 0.000 0.842 282 D CB -0.292 40.490 40.800 -0.030 0.000 0.957 282 D HN 0.348 nan 8.370 nan 0.000 0.484 283 L N 1.194 122.403 121.223 -0.023 0.000 2.056 283 L HA -0.104 4.237 4.340 0.001 0.000 0.207 283 L C 1.891 178.745 176.870 -0.026 0.000 1.078 283 L CA 1.700 56.533 54.840 -0.012 0.000 0.749 283 L CB -0.214 41.854 42.059 0.015 0.000 0.901 283 L HN -0.163 nan 8.230 nan 0.000 0.433 284 K N -1.366 119.019 120.400 -0.026 0.000 2.057 284 K HA -0.130 4.190 4.320 0.001 0.000 0.207 284 K C 1.906 178.489 176.600 -0.029 0.000 1.049 284 K CA 1.832 58.103 56.287 -0.026 0.000 0.931 284 K CB -0.361 32.128 32.500 -0.018 0.000 0.714 284 K HN 0.355 nan 8.250 nan 0.000 0.440 285 T N 1.397 115.935 114.554 -0.026 0.000 2.746 285 T HA -0.175 4.175 4.350 0.001 0.000 0.267 285 T C 1.765 176.446 174.700 -0.032 0.000 1.039 285 T CA 1.422 63.507 62.100 -0.025 0.000 1.142 285 T CB -0.126 68.730 68.868 -0.021 0.000 0.866 285 T HN 0.168 nan 8.240 nan 0.000 0.444 286 M N 0.803 120.382 119.600 -0.036 0.000 2.159 286 M HA -0.048 4.433 4.480 0.001 0.000 0.263 286 M C 2.068 178.332 176.300 -0.060 0.000 1.063 286 M CA 1.258 56.530 55.300 -0.046 0.000 1.110 286 M CB -0.339 32.233 32.600 -0.046 0.000 1.374 286 M HN 0.037 nan 8.290 nan 0.000 0.411 287 V N 0.063 119.938 119.914 -0.065 0.000 2.427 287 V HA -0.210 3.910 4.120 0.001 0.000 0.248 287 V C 2.369 178.427 176.094 -0.060 0.000 1.051 287 V CA 1.669 63.924 62.300 -0.076 0.000 1.048 287 V CB -0.797 30.980 31.823 -0.078 0.000 0.666 287 V HN 0.436 nan 8.190 nan 0.000 0.456 288 E N 0.466 120.638 120.200 -0.046 0.000 2.268 288 E HA -0.110 4.240 4.350 0.001 0.000 0.195 288 E C 2.016 178.594 176.600 -0.036 0.000 0.995 288 E CA 1.565 57.942 56.400 -0.038 0.000 0.836 288 E CB -0.100 29.583 29.700 -0.029 0.000 0.763 288 E HN 0.795 nan 8.360 nan 0.000 0.491 289 T N -2.176 112.355 114.554 -0.038 0.000 3.182 289 T HA 0.194 4.544 4.350 0.001 0.000 0.277 289 T C 0.544 175.218 174.700 -0.042 0.000 1.013 289 T CA -0.531 61.548 62.100 -0.035 0.000 0.900 289 T CB 0.219 69.069 68.868 -0.030 0.000 1.098 289 T HN -0.119 nan 8.240 nan 0.000 0.543 290 K N 2.016 122.385 120.400 -0.051 0.000 2.485 290 K HA 0.152 4.473 4.320 0.001 0.000 0.277 290 K C -0.611 175.957 176.600 -0.053 0.000 0.990 290 K CA 0.167 56.418 56.287 -0.061 0.000 0.994 290 K CB 0.404 32.860 32.500 -0.073 0.000 0.906 290 K HN 0.242 nan 8.250 nan 0.000 0.488 291 K N 2.870 123.235 120.400 -0.057 0.000 2.371 291 K HA 0.361 4.682 4.320 0.001 0.000 0.251 291 K C -1.171 175.393 176.600 -0.060 0.000 0.934 291 K CA -1.092 55.165 56.287 -0.051 0.000 0.798 291 K CB 2.168 34.641 32.500 -0.045 0.000 1.204 291 K HN 0.494 nan 8.250 nan 0.000 0.427 292 V N -1.415 118.467 119.914 -0.053 0.000 2.864 292 V HA 0.658 4.778 4.120 0.001 0.000 0.314 292 V C 0.196 176.260 176.094 -0.049 0.000 1.073 292 V CA -0.599 61.668 62.300 -0.056 0.000 0.956 292 V CB 1.404 33.196 31.823 -0.052 0.000 1.023 292 V HN 0.996 nan 8.190 nan 0.000 0.435 293 T N -0.458 114.065 114.554 -0.052 0.000 2.765 293 T HA 0.458 4.808 4.350 0.001 0.000 0.251 293 T C 0.707 175.383 174.700 -0.040 0.000 1.027 293 T CA 0.271 62.344 62.100 -0.044 0.000 1.030 293 T CB 0.589 69.428 68.868 -0.049 0.000 1.935 293 T HN 2.073 nan 8.240 nan 0.000 0.563 294 S N 0.602 116.280 115.700 -0.036 0.000 2.702 294 S HA 0.097 4.567 4.470 0.001 0.000 0.314 294 S C 0.800 175.380 174.600 -0.034 0.000 1.244 294 S CA 0.222 58.403 58.200 -0.032 0.000 1.058 294 S CB -1.185 61.998 63.200 -0.030 0.000 0.783 294 S HN 1.467 nan 8.310 nan 0.000 0.503 295 S N 2.619 118.301 115.700 -0.031 0.000 3.270 295 S HA -0.185 4.286 4.470 0.001 0.000 0.330 295 S C 1.188 175.765 174.600 -0.038 0.000 1.222 295 S CA 1.543 59.724 58.200 -0.032 0.000 0.971 295 S CB -2.076 61.106 63.200 -0.030 0.000 1.007 295 S HN 2.574 nan 8.310 nan 0.000 0.614 296 G N -0.801 107.974 108.800 -0.041 0.000 2.203 296 G HA2 -0.091 3.869 3.960 0.001 0.000 0.231 296 G HA3 -0.091 3.869 3.960 0.001 0.000 0.231 296 G C 0.018 174.882 174.900 -0.060 0.000 1.058 296 G CA 0.197 45.267 45.100 -0.048 0.000 0.781 296 G HN 1.890 nan 8.290 nan 0.000 0.496 297 V N -1.713 118.164 119.914 -0.062 0.000 2.644 297 V HA 0.766 4.886 4.120 0.001 0.000 0.295 297 V C 1.140 177.179 176.094 -0.092 0.000 1.053 297 V CA -1.662 60.592 62.300 -0.076 0.000 0.987 297 V CB 1.765 33.544 31.823 -0.073 0.000 1.006 297 V HN 0.288 nan 8.190 nan 0.000 0.472 298 L N 3.960 125.114 121.223 -0.115 0.000 2.490 298 L HA 0.188 4.528 4.340 0.001 0.000 0.274 298 L C -0.009 176.781 176.870 -0.134 0.000 1.201 298 L CA 0.212 54.975 54.840 -0.129 0.000 0.869 298 L CB 0.967 42.932 42.059 -0.157 0.000 1.123 298 L HN 0.814 nan 8.230 nan 0.000 0.484 299 L N 6.647 127.804 121.223 -0.110 0.000 2.255 299 L HA 0.396 4.736 4.340 0.001 0.000 0.289 299 L C -0.714 176.096 176.870 -0.101 0.000 1.046 299 L CA 0.074 54.854 54.840 -0.099 0.000 0.816 299 L CB 0.590 42.606 42.059 -0.071 0.000 1.197 299 L HN 0.397 nan 8.230 nan 0.000 0.427 300 L N 5.826 126.978 121.223 -0.118 0.000 2.417 300 L HA 0.377 4.717 4.340 0.001 0.000 0.259 300 L C -0.103 176.728 176.870 -0.066 0.000 1.023 300 L CA -0.443 54.338 54.840 -0.098 0.000 0.901 300 L CB 1.281 43.257 42.059 -0.139 0.000 1.227 300 L HN 0.597 nan 8.230 nan 0.000 0.454 301 D N 1.018 121.396 120.400 -0.037 0.000 2.358 301 D HA 0.024 4.664 4.640 0.001 0.000 0.224 301 D C -0.058 176.249 176.300 0.012 0.000 1.123 301 D CA -0.079 53.911 54.000 -0.016 0.000 0.833 301 D CB 0.037 40.827 40.800 -0.017 0.000 0.946 301 D HN 0.643 nan 8.370 nan 0.000 0.505 302 N N -2.469 116.246 118.700 0.025 0.000 2.494 302 N HA 0.133 4.873 4.740 0.001 0.000 0.270 302 N C -0.028 175.543 175.510 0.103 0.000 1.285 302 N CA -1.016 52.073 53.050 0.065 0.000 0.812 302 N CB 0.470 38.988 38.487 0.052 0.000 1.557 302 N HN -0.217 nan 8.380 nan 0.000 0.487 303 Y N 0.943 121.259 120.300 0.027 0.000 2.207 303 Y HA -0.194 4.357 4.550 0.000 0.000 0.287 303 Y C 2.409 178.336 175.900 0.046 0.000 1.156 303 Y CA 2.272 60.397 58.100 0.042 0.000 1.182 303 Y CB -0.417 38.063 38.460 0.033 0.000 0.979 303 Y HN 0.731 nan 8.280 nan 0.000 0.521 304 S N -0.296 115.396 115.700 -0.013 0.000 2.359 304 S HA -0.202 4.268 4.470 0.001 0.000 0.224 304 S C 1.769 176.300 174.600 -0.115 0.000 1.035 304 S CA 1.872 60.016 58.200 -0.093 0.000 1.018 304 S CB -0.480 62.719 63.200 -0.002 0.000 0.876 304 S HN 0.608 nan 8.310 nan 0.000 0.448 305 D N 0.736 121.102 120.400 -0.057 0.000 2.117 305 D HA -0.021 4.619 4.640 0.001 0.000 0.198 305 D C 2.331 178.618 176.300 -0.023 0.000 0.982 305 D CA 0.950 54.927 54.000 -0.039 0.000 0.828 305 D CB -0.306 40.477 40.800 -0.028 0.000 0.967 305 D HN 0.439 nan 8.370 nan 0.000 0.464 306 R N 0.068 120.558 120.500 -0.017 0.000 2.073 306 R HA -0.081 4.260 4.340 0.001 0.000 0.234 306 R C 2.281 178.621 176.300 0.065 0.000 1.134 306 R CA 0.675 56.843 56.100 0.113 0.000 0.952 306 R CB -0.352 30.040 30.300 0.153 0.000 0.850 306 R HN 0.131 nan 8.270 nan 0.000 0.433 307 I N 1.394 121.822 120.570 -0.236 0.000 2.394 307 I HA -0.213 3.958 4.170 0.001 0.000 0.251 307 I C 2.016 178.051 176.117 -0.137 0.000 1.136 307 I CA 1.514 62.631 61.300 -0.304 0.000 1.425 307 I CB -0.138 37.407 38.000 -0.758 0.000 1.079 307 I HN 0.147 nan 8.210 nan 0.000 0.425 308 Q N -0.669 119.068 119.800 -0.104 0.000 2.124 308 Q HA -0.164 4.176 4.340 0.001 0.000 0.202 308 Q C 2.292 178.312 176.000 0.034 0.000 0.977 308 Q CA 1.883 57.663 55.803 -0.038 0.000 0.850 308 Q CB -0.133 28.585 28.738 -0.033 0.000 0.901 308 Q HN 0.415 nan 8.270 nan 0.000 0.429 309 V N 1.009 120.978 119.914 0.092 0.000 2.295 309 V HA -0.259 3.862 4.120 0.001 0.000 0.246 309 V C 2.158 178.365 176.094 0.189 0.000 1.049 309 V CA 1.512 63.941 62.300 0.215 0.000 1.024 309 V CB -0.458 31.553 31.823 0.313 0.000 0.648 309 V HN 0.352 nan 8.190 nan 0.000 0.447 310 L N -0.669 120.587 121.223 0.054 0.000 2.093 310 L HA -0.226 4.115 4.340 0.001 0.000 0.208 310 L C 2.663 179.497 176.870 -0.061 0.000 1.085 310 L CA 1.533 56.319 54.840 -0.091 0.000 0.755 310 L CB -0.606 41.336 42.059 -0.195 0.000 0.904 310 L HN 0.375 nan 8.230 nan 0.000 0.435 311 Q N -0.220 119.560 119.800 -0.033 0.000 2.050 311 Q HA -0.186 4.155 4.340 0.001 0.000 0.202 311 Q C 2.066 178.054 176.000 -0.020 0.000 0.980 311 Q CA 1.438 57.221 55.803 -0.033 0.000 0.840 311 Q CB -0.132 28.584 28.738 -0.037 0.000 0.898 311 Q HN 0.498 nan 8.270 nan 0.000 0.424 312 N N 0.323 119.030 118.700 0.013 0.000 2.244 312 N HA -0.133 4.608 4.740 0.001 0.000 0.183 312 N C 1.722 177.119 175.510 -0.188 0.000 1.016 312 N CA 0.904 53.966 53.050 0.021 0.000 0.866 312 N CB -0.098 38.469 38.487 0.134 0.000 0.980 312 N HN 0.285 nan 8.380 nan 0.000 0.430 313 M N 0.725 120.187 119.600 -0.230 0.000 2.086 313 M HA -0.133 4.347 4.480 0.001 0.000 0.261 313 M C 1.804 177.866 176.300 -0.397 0.000 1.067 313 M CA 1.403 56.367 55.300 -0.560 0.000 1.116 313 M CB 0.055 32.495 32.600 -0.267 0.000 1.348 313 M HN -0.139 nan 8.290 nan 0.000 0.407 314 V N -0.329 119.457 119.914 -0.213 0.000 2.515 314 V HA -0.257 3.863 4.120 0.001 0.000 0.250 314 V C 2.304 178.315 176.094 -0.139 0.000 1.058 314 V CA 2.129 64.324 62.300 -0.175 0.000 1.064 314 V CB -1.215 30.527 31.823 -0.136 0.000 0.675 314 V HN 0.594 nan 8.190 nan 0.000 0.461 315 H N -0.277 118.674 119.070 -0.198 0.000 2.353 315 H HA -0.171 4.385 4.556 0.001 0.000 0.300 315 H C 2.265 177.490 175.328 -0.172 0.000 1.090 315 H CA 2.205 58.174 56.048 -0.131 0.000 1.327 315 H CB -0.626 29.088 29.762 -0.080 0.000 1.383 315 H HN 0.395 nan 8.280 nan 0.000 0.508 316 C N 0.503 119.545 119.300 -0.430 0.000 2.413 316 C HA -0.071 4.389 4.460 0.001 0.000 0.276 316 C C 3.126 178.031 174.990 -0.142 0.000 1.248 316 C CA 1.130 59.761 59.018 -0.645 0.000 1.742 316 C CB -1.398 25.507 27.740 -1.391 0.000 2.017 316 C HN 0.783 nan 8.230 nan 0.000 0.481 317 A N 0.227 122.965 122.820 -0.136 0.000 1.902 317 A HA -0.238 4.082 4.320 0.001 0.000 0.217 317 A C 1.875 179.420 177.584 -0.066 0.000 1.181 317 A CA 2.301 54.330 52.037 -0.013 0.000 0.623 317 A CB -0.715 18.227 19.000 -0.097 0.000 0.818 317 A HN 0.561 nan 8.150 nan 0.000 0.443 318 D N -0.296 120.041 120.400 -0.104 0.000 2.144 318 D HA -0.074 4.566 4.640 0.001 0.000 0.199 318 D C 1.148 177.506 176.300 0.098 0.000 0.984 318 D CA 0.924 54.919 54.000 -0.008 0.000 0.834 318 D CB -0.118 40.697 40.800 0.025 0.000 0.955 318 D HN 0.397 nan 8.370 nan 0.000 0.465 319 L N 0.361 121.612 121.223 0.047 0.000 2.912 319 L HA 0.191 4.531 4.340 0.001 0.000 0.240 319 L C 1.400 178.400 176.870 0.216 0.000 1.262 319 L CA -0.032 54.876 54.840 0.114 0.000 1.058 319 L CB 0.206 42.248 42.059 -0.030 0.000 1.383 319 L HN 0.008 nan 8.230 nan 0.000 0.512 320 S N -2.944 112.852 115.700 0.160 0.000 2.524 320 S HA -0.027 4.443 4.470 0.001 0.000 0.216 320 S C 1.244 175.775 174.600 -0.116 0.000 0.987 320 S CA 0.018 58.295 58.200 0.128 0.000 0.909 320 S CB -0.258 63.041 63.200 0.165 0.000 0.781 320 S HN 0.516 nan 8.310 nan 0.000 0.521 321 N N 3.094 121.713 118.700 -0.135 0.000 2.061 321 N HA -0.072 4.669 4.740 0.001 0.000 0.193 321 N C -1.331 173.995 175.510 -0.307 0.000 1.030 321 N CA 1.558 54.526 53.050 -0.137 0.000 0.856 321 N CB -1.016 37.480 38.487 0.015 0.000 1.023 321 N HN 0.432 nan 8.380 nan 0.000 0.424 322 P HA -0.064 nan 4.420 nan 0.000 0.234 322 P C 0.903 177.852 177.300 -0.585 0.000 1.167 322 P CA 1.157 63.532 63.100 -1.210 0.000 0.763 322 P CB -0.069 31.188 31.700 -0.738 0.000 0.835 323 T N -5.182 109.146 114.554 -0.376 0.000 3.086 323 T HA 0.148 4.499 4.350 0.001 0.000 0.250 323 T C 0.836 175.544 174.700 0.013 0.000 1.074 323 T CA -0.085 61.866 62.100 -0.248 0.000 0.988 323 T CB -0.228 68.341 68.868 -0.500 0.000 0.988 323 T HN -0.157 nan 8.240 nan 0.000 0.530 324 K N 2.182 122.563 120.400 -0.032 0.000 2.090 324 K HA 0.454 4.774 4.320 0.001 0.000 0.249 324 K C -2.784 173.870 176.600 0.091 0.000 0.995 324 K CA -2.749 53.550 56.287 0.019 0.000 0.914 324 K CB 0.370 32.861 32.500 -0.016 0.000 1.057 324 K HN 0.045 nan 8.250 nan 0.000 0.462 325 P HA -0.099 nan 4.420 nan 0.000 0.264 325 P C 0.922 178.274 177.300 0.086 0.000 1.179 325 P CA -0.009 63.138 63.100 0.078 0.000 0.763 325 P CB 0.372 32.116 31.700 0.074 0.000 0.806 326 L N 3.526 124.758 121.223 0.015 0.000 2.081 326 L HA -0.254 4.087 4.340 0.001 0.000 0.212 326 L C 2.262 179.079 176.870 -0.089 0.000 1.080 326 L CA 1.925 56.728 54.840 -0.062 0.000 0.754 326 L CB -1.142 40.719 42.059 -0.330 0.000 0.893 326 L HN 0.455 nan 8.230 nan 0.000 0.433 327 Q N -0.550 119.198 119.800 -0.086 0.000 2.170 327 Q HA -0.203 4.137 4.340 0.001 0.000 0.203 327 Q C 2.107 178.078 176.000 -0.049 0.000 0.976 327 Q CA 2.099 57.840 55.803 -0.102 0.000 0.858 327 Q CB -0.827 27.851 28.738 -0.099 0.000 0.907 327 Q HN 0.604 nan 8.270 nan 0.000 0.433 328 L N -0.386 120.879 121.223 0.070 0.000 2.044 328 L HA -0.111 4.229 4.340 0.001 0.000 0.205 328 L C 2.682 179.731 176.870 0.298 0.000 1.075 328 L CA 1.257 56.202 54.840 0.174 0.000 0.747 328 L CB -0.842 41.377 42.059 0.266 0.000 0.903 328 L HN 0.102 nan 8.230 nan 0.000 0.435 329 Y N 1.554 121.981 120.300 0.212 0.000 2.114 329 Y HA -0.264 4.286 4.550 0.001 0.000 0.282 329 Y C 2.708 178.751 175.900 0.240 0.000 1.165 329 Y CA 1.482 59.763 58.100 0.302 0.000 1.148 329 Y CB -0.457 38.138 38.460 0.226 0.000 0.972 329 Y HN 0.029 nan 8.280 nan 0.000 0.504 330 R N -0.206 120.305 120.500 0.018 0.000 2.120 330 R HA -0.182 4.158 4.340 0.001 0.000 0.234 330 R C 2.301 178.548 176.300 -0.089 0.000 1.123 330 R CA 1.674 57.714 56.100 -0.101 0.000 0.975 330 R CB -0.290 29.898 30.300 -0.186 0.000 0.866 330 R HN 0.544 nan 8.270 nan 0.000 0.446 331 Q N -0.788 118.903 119.800 -0.182 0.000 2.079 331 Q HA -0.175 4.166 4.340 0.001 0.000 0.200 331 Q C 1.796 177.647 176.000 -0.248 0.000 0.974 331 Q CA 1.473 57.032 55.803 -0.408 0.000 0.840 331 Q CB -0.097 28.091 28.738 -0.918 0.000 0.898 331 Q HN 0.459 nan 8.270 nan 0.000 0.430 332 W N 0.425 121.795 121.300 0.116 0.000 2.358 332 W HA -0.157 4.503 4.660 0.001 0.000 0.303 332 W C 2.420 179.010 176.519 0.118 0.000 1.208 332 W CA 1.103 58.589 57.345 0.235 0.000 1.274 332 W CB -0.275 29.406 29.460 0.368 0.000 1.138 332 W HN 0.083 nan 8.180 nan 0.000 0.515 333 T N 0.033 114.738 114.554 0.251 0.000 2.708 333 T HA -0.204 4.146 4.350 0.001 0.000 0.266 333 T C 1.078 175.740 174.700 -0.063 0.000 1.037 333 T CA 1.759 63.879 62.100 0.034 0.000 1.146 333 T CB -0.573 68.275 68.868 -0.033 0.000 0.865 333 T HN 0.020 nan 8.240 nan 0.000 0.435 334 D N 0.960 121.328 120.400 -0.053 0.000 2.133 334 D HA -0.078 4.562 4.640 0.001 0.000 0.195 334 D C 2.385 178.616 176.300 -0.115 0.000 0.997 334 D CA 1.111 55.055 54.000 -0.094 0.000 0.840 334 D CB -0.217 40.515 40.800 -0.113 0.000 0.947 334 D HN 0.345 nan 8.370 nan 0.000 0.452 335 R N -0.288 120.178 120.500 -0.056 0.000 2.073 335 R HA -0.017 4.324 4.340 0.001 0.000 0.229 335 R C 2.329 178.573 176.300 -0.093 0.000 1.120 335 R CA 0.440 56.533 56.100 -0.011 0.000 0.967 335 R CB -0.302 30.076 30.300 0.129 0.000 0.862 335 R HN 0.127 nan 8.270 nan 0.000 0.436 336 I N 0.590 121.038 120.570 -0.203 0.000 2.394 336 I HA -0.213 3.957 4.170 0.001 0.000 0.251 336 I C 1.811 177.418 176.117 -0.850 0.000 1.136 336 I CA 1.390 62.261 61.300 -0.713 0.000 1.425 336 I CB 0.047 37.367 38.000 -1.133 0.000 1.079 336 I HN 0.118 nan 8.210 nan 0.000 0.425 337 M N -0.313 118.921 119.600 -0.611 0.000 2.132 337 M HA -0.167 4.313 4.480 0.001 0.000 0.263 337 M C 2.235 178.085 176.300 -0.751 0.000 1.065 337 M CA 1.530 56.379 55.300 -0.752 0.000 1.122 337 M CB -1.419 30.792 32.600 -0.649 0.000 1.365 337 M HN 0.286 nan 8.290 nan 0.000 0.411 338 E N 0.832 120.805 120.200 -0.377 0.000 2.058 338 E HA -0.219 4.131 4.350 0.001 0.000 0.194 338 E C 1.898 178.451 176.600 -0.079 0.000 0.997 338 E CA 1.934 58.247 56.400 -0.145 0.000 0.801 338 E CB -0.199 29.464 29.700 -0.061 0.000 0.746 338 E HN 0.550 nan 8.360 nan 0.000 0.450 339 E N -1.221 118.905 120.200 -0.122 0.000 2.051 339 E HA -0.181 4.170 4.350 0.001 0.000 0.192 339 E C 1.779 178.437 176.600 0.096 0.000 0.991 339 E CA 1.258 57.645 56.400 -0.021 0.000 0.799 339 E CB -0.208 29.465 29.700 -0.045 0.000 0.748 339 E HN 0.296 nan 8.360 nan 0.000 0.449 340 F N 0.123 119.979 119.950 -0.157 0.000 2.102 340 F HA -0.175 4.352 4.527 0.001 0.000 0.298 340 F C 2.170 177.987 175.800 0.028 0.000 1.105 340 F CA 0.837 58.764 58.000 -0.122 0.000 1.239 340 F CB -1.030 37.839 39.000 -0.219 0.000 0.991 340 F HN 0.118 nan 8.300 nan 0.000 0.474 341 F N 0.441 120.471 119.950 0.133 0.000 2.171 341 F HA -0.137 4.390 4.527 0.000 0.000 0.300 341 F C 2.425 178.229 175.800 0.007 0.000 1.090 341 F CA 0.837 58.858 58.000 0.035 0.000 1.293 341 F CB -1.328 37.669 39.000 -0.005 0.000 1.013 341 F HN -0.030 nan 8.300 nan 0.000 0.486 342 R N -0.093 120.522 120.500 0.191 0.000 2.092 342 R HA -0.185 4.155 4.340 0.001 0.000 0.231 342 R C 2.177 178.493 176.300 0.026 0.000 1.119 342 R CA 1.311 57.466 56.100 0.090 0.000 0.970 342 R CB -0.543 29.796 30.300 0.065 0.000 0.864 342 R HN 0.396 nan 8.270 nan 0.000 0.440 343 Q N 0.168 119.969 119.800 0.002 0.000 2.079 343 Q HA -0.116 4.224 4.340 0.001 0.000 0.200 343 Q C 2.027 178.004 176.000 -0.039 0.000 0.974 343 Q CA 1.754 57.468 55.803 -0.149 0.000 0.840 343 Q CB -0.218 28.413 28.738 -0.179 0.000 0.898 343 Q HN 0.395 nan 8.270 nan 0.000 0.430 344 G N 0.516 109.349 108.800 0.055 0.000 2.432 344 G HA2 -0.264 3.696 3.960 0.001 0.000 0.219 344 G HA3 -0.264 3.696 3.960 0.001 0.000 0.219 344 G C 0.922 175.864 174.900 0.071 0.000 1.135 344 G CA 1.033 46.179 45.100 0.078 0.000 0.767 344 G HN 0.381 nan 8.290 nan 0.000 0.550 345 D N 0.404 120.840 120.400 0.059 0.000 2.144 345 D HA -0.034 4.607 4.640 0.001 0.000 0.200 345 D C 2.712 179.056 176.300 0.075 0.000 0.978 345 D CA 0.579 54.612 54.000 0.054 0.000 0.833 345 D CB -0.174 40.652 40.800 0.044 0.000 0.961 345 D HN 0.270 nan 8.370 nan 0.000 0.470 346 R N 0.526 121.074 120.500 0.079 0.000 2.092 346 R HA -0.035 4.305 4.340 0.001 0.000 0.231 346 R C 2.187 178.617 176.300 0.217 0.000 1.119 346 R CA 0.868 57.052 56.100 0.139 0.000 0.970 346 R CB -0.056 30.318 30.300 0.123 0.000 0.864 346 R HN 0.302 nan 8.270 nan 0.000 0.440 347 E N 0.234 120.575 120.200 0.235 0.000 2.072 347 E HA -0.181 4.170 4.350 0.001 0.000 0.191 347 E C 2.078 178.750 176.600 0.120 0.000 0.985 347 E CA 0.789 57.320 56.400 0.219 0.000 0.801 347 E CB -0.046 29.776 29.700 0.205 0.000 0.750 347 E HN 0.202 nan 8.360 nan 0.000 0.452 348 R N 1.226 121.785 120.500 0.098 0.000 2.073 348 R HA -0.187 4.153 4.340 0.001 0.000 0.234 348 R C 1.975 178.314 176.300 0.065 0.000 1.134 348 R CA 1.601 57.744 56.100 0.073 0.000 0.952 348 R CB -0.005 30.339 30.300 0.073 0.000 0.850 348 R HN 0.152 nan 8.270 nan 0.000 0.433 349 E N -0.274 119.970 120.200 0.072 0.000 2.160 349 E HA -0.191 4.160 4.350 0.001 0.000 0.195 349 E C 1.908 178.541 176.600 0.054 0.000 0.991 349 E CA 1.164 57.601 56.400 0.061 0.000 0.810 349 E CB 0.078 29.819 29.700 0.068 0.000 0.742 349 E HN 0.300 nan 8.360 nan 0.000 0.466 350 R N -0.893 119.645 120.500 0.063 0.000 2.310 350 R HA 0.062 4.403 4.340 0.001 0.000 0.202 350 R C 1.051 177.365 176.300 0.024 0.000 0.933 350 R CA 0.496 56.620 56.100 0.041 0.000 1.054 350 R CB 0.512 30.835 30.300 0.038 0.000 0.985 350 R HN 0.229 nan 8.270 nan 0.000 0.489 351 G N 1.180 109.999 108.800 0.030 0.000 2.143 351 G HA2 -0.302 3.658 3.960 0.001 0.000 0.248 351 G HA3 -0.302 3.658 3.960 0.001 0.000 0.248 351 G C 0.129 175.039 174.900 0.017 0.000 0.991 351 G CA 0.153 45.265 45.100 0.020 0.000 0.689 351 G HN 0.166 nan 8.290 nan 0.000 0.522 352 M N -0.186 119.429 119.600 0.025 0.000 2.283 352 M HA 0.541 5.022 4.480 0.001 0.000 0.314 352 M C 0.601 176.919 176.300 0.029 0.000 1.153 352 M CA -0.737 54.574 55.300 0.019 0.000 1.084 352 M CB 0.707 33.319 32.600 0.020 0.000 1.468 352 M HN 0.144 nan 8.290 nan 0.000 0.474 353 E N 1.496 121.708 120.200 0.021 0.000 2.392 353 E HA 0.215 4.565 4.350 0.001 0.000 0.264 353 E C -1.239 175.382 176.600 0.036 0.000 1.024 353 E CA 0.136 56.550 56.400 0.022 0.000 0.903 353 E CB 0.358 30.065 29.700 0.012 0.000 0.963 353 E HN 0.422 nan 8.360 nan 0.000 0.432 354 I N 3.497 124.089 120.570 0.037 0.000 2.441 354 I HA 0.067 4.238 4.170 0.001 0.000 0.287 354 I C 0.414 176.544 176.117 0.022 0.000 1.049 354 I CA -0.346 60.980 61.300 0.043 0.000 1.381 354 I CB 1.077 39.104 38.000 0.046 0.000 1.409 354 I HN 0.416 nan 8.210 nan 0.000 0.523 355 S N 7.081 122.789 115.700 0.013 0.000 2.579 355 S HA 0.156 4.626 4.470 0.001 0.000 0.275 355 S C -2.176 172.388 174.600 -0.061 0.000 1.345 355 S CA -0.845 57.335 58.200 -0.033 0.000 1.031 355 S CB 0.108 63.269 63.200 -0.065 0.000 0.892 355 S HN 0.412 nan 8.310 nan 0.000 0.529 356 P HA 0.068 nan 4.420 nan 0.000 0.264 356 P C 0.360 177.588 177.300 -0.120 0.000 1.183 356 P CA 0.570 63.626 63.100 -0.073 0.000 0.763 356 P CB 0.032 31.686 31.700 -0.078 0.000 0.807 357 M N -0.386 119.204 119.600 -0.016 0.000 2.931 357 M HA -0.258 4.222 4.480 0.001 0.000 0.190 357 M C 0.213 176.613 176.300 0.167 0.000 0.626 357 M CA 0.762 56.102 55.300 0.067 0.000 0.722 357 M CB -2.559 30.059 32.600 0.031 0.000 2.597 357 M HN 0.350 nan 8.290 nan 0.000 0.299 358 C N -0.008 119.356 119.300 0.106 0.000 2.906 358 C HA 0.197 4.657 4.460 0.001 0.000 0.274 358 C C 0.894 176.037 174.990 0.255 0.000 1.257 358 C CA -0.190 58.956 59.018 0.214 0.000 1.695 358 C CB -0.390 27.367 27.740 0.029 0.000 1.958 358 C HN 0.424 nan 8.230 nan 0.000 0.619 359 D N 1.703 122.189 120.400 0.145 0.000 2.428 359 D HA 0.092 4.732 4.640 0.001 0.000 0.221 359 D C 1.323 177.440 176.300 -0.304 0.000 1.123 359 D CA -0.034 53.947 54.000 -0.032 0.000 0.869 359 D CB 0.682 41.489 40.800 0.013 0.000 1.032 359 D HN 0.477 nan 8.370 nan 0.000 0.506 360 K N 3.141 123.068 120.400 -0.789 0.000 2.360 360 K HA -0.146 4.174 4.320 0.001 0.000 0.201 360 K C 0.518 176.677 176.600 -0.734 0.000 1.046 360 K CA 0.976 56.432 56.287 -1.386 0.000 0.945 360 K CB -0.020 31.636 32.500 -1.407 0.000 0.750 360 K HN 0.427 nan 8.250 nan 0.000 0.464 361 H N 0.522 119.432 119.070 -0.266 0.000 2.553 361 H HA 0.194 4.750 4.556 0.001 0.000 0.265 361 H C 0.001 175.276 175.328 -0.089 0.000 0.964 361 H CA 0.214 56.175 56.048 -0.144 0.000 1.156 361 H CB 0.416 30.119 29.762 -0.098 0.000 1.411 361 H HN 0.254 nan 8.280 nan 0.000 0.558 362 N N 0.676 119.378 118.700 0.004 0.000 2.673 362 N HA 0.329 5.069 4.740 0.001 0.000 0.265 362 N C -0.977 174.556 175.510 0.039 0.000 1.709 362 N CA 0.006 53.074 53.050 0.029 0.000 0.792 362 N CB 1.589 40.099 38.487 0.040 0.000 1.286 362 N HN 0.094 nan 8.380 nan 0.000 0.506 363 A N 0.017 122.865 122.820 0.046 0.000 2.355 363 A HA 0.800 5.120 4.320 0.001 0.000 0.324 363 A C -0.155 177.498 177.584 0.116 0.000 1.117 363 A CA -0.499 51.616 52.037 0.131 0.000 0.785 363 A CB 1.117 20.279 19.000 0.270 0.000 1.254 363 A HN 0.088 nan 8.150 nan 0.000 0.453 364 S N 1.467 117.240 115.700 0.121 0.000 2.259 364 S HA 0.231 4.701 4.470 0.001 0.000 0.181 364 S C 0.893 175.554 174.600 0.101 0.000 1.589 364 S CA -0.486 57.773 58.200 0.098 0.000 1.234 364 S CB 0.860 64.106 63.200 0.077 0.000 1.119 364 S HN 0.527 nan 8.310 nan 0.000 0.458 365 V N 2.162 122.145 119.914 0.116 0.000 2.287 365 V HA -0.214 3.907 4.120 0.001 0.000 0.248 365 V C 2.164 178.289 176.094 0.052 0.000 1.053 365 V CA 2.006 64.357 62.300 0.085 0.000 1.027 365 V CB -0.441 31.445 31.823 0.105 0.000 0.646 365 V HN 0.558 nan 8.190 nan 0.000 0.447 366 E N 0.143 120.412 120.200 0.115 0.000 2.047 366 E HA -0.171 4.179 4.350 0.001 0.000 0.191 366 E C 2.224 178.879 176.600 0.093 0.000 0.987 366 E CA 1.103 57.605 56.400 0.170 0.000 0.799 366 E CB -0.303 29.520 29.700 0.205 0.000 0.752 366 E HN 0.528 nan 8.360 nan 0.000 0.449 367 K N 0.239 120.690 120.400 0.085 0.000 2.097 367 K HA -0.045 4.275 4.320 0.001 0.000 0.206 367 K C 2.273 178.927 176.600 0.090 0.000 1.049 367 K CA 1.352 57.689 56.287 0.085 0.000 0.933 367 K CB -0.100 32.447 32.500 0.078 0.000 0.717 367 K HN -0.041 nan 8.250 nan 0.000 0.442 368 S N 0.776 116.520 115.700 0.073 0.000 2.402 368 S HA -0.105 4.366 4.470 0.001 0.000 0.229 368 S C 1.824 176.483 174.600 0.097 0.000 1.021 368 S CA 0.925 59.175 58.200 0.083 0.000 0.974 368 S CB -0.053 63.183 63.200 0.060 0.000 0.800 368 S HN 0.249 nan 8.310 nan 0.000 0.484 369 Q N 0.780 120.579 119.800 -0.001 0.000 2.079 369 Q HA 0.028 4.369 4.340 0.001 0.000 0.200 369 Q C 2.447 178.525 176.000 0.130 0.000 0.974 369 Q CA 0.929 56.730 55.803 -0.003 0.000 0.840 369 Q CB -0.853 27.561 28.738 -0.541 0.000 0.898 369 Q HN 0.419 nan 8.270 nan 0.000 0.430 370 V N 0.483 120.458 119.914 0.101 0.000 2.343 370 V HA -0.209 3.911 4.120 0.001 0.000 0.247 370 V C 2.300 178.479 176.094 0.142 0.000 1.051 370 V CA 1.986 64.364 62.300 0.130 0.000 1.036 370 V CB -1.232 30.660 31.823 0.115 0.000 0.654 370 V HN 0.440 nan 8.190 nan 0.000 0.451 371 G N -0.826 108.093 108.800 0.199 0.000 2.418 371 G HA2 -0.307 3.653 3.960 0.001 0.000 0.217 371 G HA3 -0.307 3.653 3.960 0.001 0.000 0.217 371 G C 1.536 176.670 174.900 0.391 0.000 1.158 371 G CA 0.974 46.267 45.100 0.321 0.000 0.771 371 G HN 0.457 nan 8.290 nan 0.000 0.545 372 F N 1.588 121.631 119.950 0.156 0.000 2.095 372 F HA -0.014 4.514 4.527 0.000 0.000 0.298 372 F C 2.436 178.312 175.800 0.127 0.000 1.104 372 F CA 0.976 59.054 58.000 0.129 0.000 1.232 372 F CB -0.387 38.664 39.000 0.086 0.000 0.987 372 F HN 0.122 nan 8.300 nan 0.000 0.475 373 I N 0.019 120.597 120.570 0.013 0.000 2.202 373 I HA -0.281 3.890 4.170 0.001 0.000 0.242 373 I C 2.104 178.209 176.117 -0.020 0.000 1.091 373 I CA 1.558 62.806 61.300 -0.087 0.000 1.368 373 I CB -0.609 37.409 38.000 0.029 0.000 1.058 373 I HN 0.027 nan 8.210 nan 0.000 0.410 374 D N 0.156 120.535 120.400 -0.034 0.000 2.117 374 D HA -0.196 4.444 4.640 0.001 0.000 0.197 374 D C 2.009 178.178 176.300 -0.217 0.000 0.987 374 D CA 1.783 55.672 54.000 -0.185 0.000 0.829 374 D CB -0.239 40.343 40.800 -0.364 0.000 0.961 374 D HN 0.413 nan 8.370 nan 0.000 0.460 375 Y N -0.753 119.586 120.300 0.065 0.000 2.503 375 Y HA 0.090 4.640 4.550 0.001 0.000 0.278 375 Y C 1.930 177.874 175.900 0.073 0.000 1.111 375 Y CA 0.075 58.222 58.100 0.078 0.000 1.270 375 Y CB 0.615 39.127 38.460 0.085 0.000 1.063 375 Y HN -0.062 nan 8.280 nan 0.000 0.548 376 I N -2.439 118.208 120.570 0.127 0.000 3.650 376 I HA -0.016 4.154 4.170 0.001 0.000 0.261 376 I C 1.886 177.973 176.117 -0.050 0.000 1.154 376 I CA 0.530 61.821 61.300 -0.014 0.000 1.418 376 I CB -0.852 37.075 38.000 -0.122 0.000 1.539 376 I HN -0.126 nan 8.210 nan 0.000 0.449 377 V N 1.323 121.100 119.914 -0.228 0.000 2.323 377 V HA -0.211 3.909 4.120 0.001 0.000 0.244 377 V C 2.552 178.709 176.094 0.106 0.000 1.041 377 V CA 1.865 64.077 62.300 -0.147 0.000 1.025 377 V CB -0.902 30.670 31.823 -0.418 0.000 0.656 377 V HN 0.457 nan 8.190 nan 0.000 0.451 378 H N 0.854 119.930 119.070 0.011 0.000 2.326 378 H HA -0.068 4.488 4.556 0.001 0.000 0.301 378 H C -0.030 175.361 175.328 0.106 0.000 1.081 378 H CA 2.017 58.108 56.048 0.072 0.000 1.334 378 H CB -0.917 28.855 29.762 0.018 0.000 1.385 378 H HN 0.310 nan 8.280 nan 0.000 0.504 379 P HA -0.166 nan 4.420 nan 0.000 0.216 379 P C 1.940 179.296 177.300 0.093 0.000 1.153 379 P CA 0.983 64.176 63.100 0.154 0.000 0.858 379 P CB -0.170 31.638 31.700 0.181 0.000 0.789 380 L N -1.824 119.463 121.223 0.108 0.000 2.005 380 L HA -0.056 4.285 4.340 0.001 0.000 0.207 380 L C 2.127 178.957 176.870 -0.066 0.000 1.072 380 L CA 1.781 56.634 54.840 0.022 0.000 0.744 380 L CB -1.457 40.608 42.059 0.010 0.000 0.895 380 L HN -0.055 nan 8.230 nan 0.000 0.433 381 W N 0.317 121.585 121.300 -0.052 0.000 2.402 381 W HA -0.115 4.546 4.660 0.001 0.000 0.286 381 W C 2.666 179.141 176.519 -0.073 0.000 1.221 381 W CA 1.436 58.748 57.345 -0.054 0.000 1.257 381 W CB -0.079 29.305 29.460 -0.128 0.000 1.120 381 W HN 0.314 nan 8.180 nan 0.000 0.551 382 E N -0.447 119.744 120.200 -0.014 0.000 2.110 382 E HA -0.189 4.162 4.350 0.001 0.000 0.193 382 E C 1.796 178.404 176.600 0.014 0.000 0.988 382 E CA 1.856 58.216 56.400 -0.067 0.000 0.804 382 E CB -0.092 29.519 29.700 -0.148 0.000 0.745 382 E HN 0.090 nan 8.360 nan 0.000 0.458 383 T N 0.657 115.226 114.554 0.024 0.000 2.812 383 T HA -0.155 4.196 4.350 0.001 0.000 0.264 383 T C 1.217 175.927 174.700 0.016 0.000 1.042 383 T CA 0.982 63.089 62.100 0.011 0.000 1.140 383 T CB -0.422 68.452 68.868 0.011 0.000 0.870 383 T HN 0.426 nan 8.240 nan 0.000 0.445 384 W N 2.181 123.402 121.300 -0.132 0.000 2.355 384 W HA -0.146 4.514 4.660 0.000 0.000 0.309 384 W C 2.499 178.987 176.519 -0.051 0.000 1.206 384 W CA 1.344 58.596 57.345 -0.155 0.000 1.284 384 W CB -0.522 28.718 29.460 -0.366 0.000 1.145 384 W HN 0.296 nan 8.180 nan 0.000 0.502 385 A N 0.331 123.228 122.820 0.129 0.000 1.940 385 A HA -0.277 4.043 4.320 0.001 0.000 0.219 385 A C 1.793 179.369 177.584 -0.013 0.000 1.176 385 A CA 2.224 54.313 52.037 0.086 0.000 0.631 385 A CB -1.170 17.921 19.000 0.152 0.000 0.814 385 A HN 0.307 nan 8.150 nan 0.000 0.446 386 D N -0.512 119.854 120.400 -0.058 0.000 2.117 386 D HA -0.121 4.519 4.640 0.001 0.000 0.198 386 D C 1.843 178.064 176.300 -0.131 0.000 0.982 386 D CA 1.213 55.156 54.000 -0.096 0.000 0.828 386 D CB -0.229 40.512 40.800 -0.098 0.000 0.967 386 D HN 0.290 nan 8.370 nan 0.000 0.464 387 L N 0.567 121.647 121.223 -0.238 0.000 2.046 387 L HA -0.128 4.212 4.340 0.001 0.000 0.208 387 L C 2.014 178.684 176.870 -0.333 0.000 1.077 387 L CA 1.590 56.234 54.840 -0.327 0.000 0.747 387 L CB -0.332 41.411 42.059 -0.526 0.000 0.896 387 L HN 0.094 nan 8.230 nan 0.000 0.432 388 V N -3.249 116.424 119.914 -0.401 0.000 3.342 388 V HA 0.211 4.331 4.120 0.001 0.000 0.322 388 V C 0.733 176.756 176.094 -0.118 0.000 1.370 388 V CA -0.620 61.509 62.300 -0.286 0.000 1.170 388 V CB -1.684 29.918 31.823 -0.368 0.000 1.101 388 V HN 0.452 nan 8.190 nan 0.000 0.442 389 H N 3.856 122.833 119.070 -0.155 0.000 3.094 389 H HA 0.222 4.778 4.556 0.001 0.000 0.320 389 H C -1.405 173.878 175.328 -0.075 0.000 1.000 389 H CA -0.366 55.625 56.048 -0.094 0.000 1.413 389 H CB 1.297 31.012 29.762 -0.079 0.000 1.405 389 H HN 0.334 nan 8.280 nan 0.000 0.586 390 P HA 0.104 nan 4.420 nan 0.000 0.263 390 P C 0.031 177.207 177.300 -0.206 0.000 1.448 390 P CA -0.096 62.647 63.100 -0.595 0.000 0.983 390 P CB 0.586 31.887 31.700 -0.665 0.000 1.481 391 D N 1.737 122.057 120.400 -0.133 0.000 2.158 391 D HA -0.148 4.492 4.640 0.001 0.000 0.197 391 D C 1.636 177.906 176.300 -0.049 0.000 0.995 391 D CA 1.636 55.590 54.000 -0.076 0.000 0.846 391 D CB -0.425 40.346 40.800 -0.047 0.000 0.941 391 D HN 0.253 nan 8.370 nan 0.000 0.456 392 A N 0.067 122.884 122.820 -0.005 0.000 2.379 392 A HA 0.081 4.401 4.320 0.001 0.000 0.236 392 A C 1.776 179.355 177.584 -0.008 0.000 1.272 392 A CA -0.020 52.029 52.037 0.020 0.000 0.886 392 A CB 0.048 19.177 19.000 0.214 0.000 0.962 392 A HN -0.026 nan 8.150 nan 0.000 0.504 393 Q N 0.932 120.724 119.800 -0.014 0.000 2.135 393 Q HA -0.194 4.146 4.340 0.001 0.000 0.204 393 Q C 0.957 176.939 176.000 -0.031 0.000 0.981 393 Q CA 2.329 58.134 55.803 0.003 0.000 0.856 393 Q CB -0.154 28.586 28.738 0.002 0.000 0.902 393 Q HN 0.591 nan 8.270 nan 0.000 0.425 394 D N -0.606 119.754 120.400 -0.068 0.000 2.183 394 D HA -0.077 4.563 4.640 0.001 0.000 0.203 394 D C 1.781 178.008 176.300 -0.123 0.000 0.969 394 D CA 0.900 54.856 54.000 -0.073 0.000 0.842 394 D CB -0.061 40.697 40.800 -0.070 0.000 0.957 394 D HN 0.369 nan 8.370 nan 0.000 0.484 395 I N 0.252 120.681 120.570 -0.235 0.000 2.252 395 I HA -0.215 3.955 4.170 0.001 0.000 0.245 395 I C 2.251 178.208 176.117 -0.267 0.000 1.102 395 I CA 0.453 61.522 61.300 -0.386 0.000 1.385 395 I CB -0.039 37.520 38.000 -0.736 0.000 1.064 395 I HN -0.008 nan 8.210 nan 0.000 0.414 396 L N 0.769 121.902 121.223 -0.149 0.000 2.093 396 L HA -0.217 4.124 4.340 0.001 0.000 0.208 396 L C 1.898 178.760 176.870 -0.013 0.000 1.085 396 L CA 1.961 56.760 54.840 -0.069 0.000 0.755 396 L CB -0.722 41.343 42.059 0.010 0.000 0.904 396 L HN 0.170 nan 8.230 nan 0.000 0.435 397 D N -1.309 119.087 120.400 -0.007 0.000 2.144 397 D HA -0.148 4.492 4.640 0.001 0.000 0.199 397 D C 2.057 178.371 176.300 0.024 0.000 0.984 397 D CA 1.726 55.740 54.000 0.024 0.000 0.834 397 D CB -0.197 40.614 40.800 0.018 0.000 0.955 397 D HN 0.336 nan 8.370 nan 0.000 0.465 398 T N 1.276 115.827 114.554 -0.006 0.000 2.777 398 T HA -0.127 4.223 4.350 0.001 0.000 0.266 398 T C 1.925 176.634 174.700 0.016 0.000 1.040 398 T CA 0.520 62.627 62.100 0.012 0.000 1.141 398 T CB -0.336 68.540 68.868 0.013 0.000 0.868 398 T HN 0.041 nan 8.240 nan 0.000 0.444 399 L N 1.555 122.754 121.223 -0.040 0.000 2.012 399 L HA -0.101 4.240 4.340 0.001 0.000 0.210 399 L C 2.239 179.158 176.870 0.081 0.000 1.073 399 L CA 1.867 56.686 54.840 -0.037 0.000 0.748 399 L CB -0.660 41.332 42.059 -0.112 0.000 0.891 399 L HN 0.270 nan 8.230 nan 0.000 0.431 400 E N -0.730 119.535 120.200 0.108 0.000 2.106 400 E HA -0.205 4.146 4.350 0.001 0.000 0.192 400 E C 1.770 178.442 176.600 0.120 0.000 0.984 400 E CA 1.195 57.668 56.400 0.122 0.000 0.806 400 E CB -0.145 29.628 29.700 0.120 0.000 0.750 400 E HN 0.567 nan 8.360 nan 0.000 0.458 401 D N 0.487 120.955 120.400 0.114 0.000 2.144 401 D HA -0.105 4.536 4.640 0.001 0.000 0.200 401 D C 1.601 178.027 176.300 0.209 0.000 0.978 401 D CA 0.723 54.804 54.000 0.135 0.000 0.833 401 D CB -0.244 40.616 40.800 0.101 0.000 0.961 401 D HN 0.073 nan 8.370 nan 0.000 0.470 402 N N 0.574 119.410 118.700 0.226 0.000 2.188 402 N HA -0.110 4.631 4.740 0.001 0.000 0.184 402 N C 1.759 177.569 175.510 0.501 0.000 1.018 402 N CA 0.368 53.645 53.050 0.379 0.000 0.858 402 N CB -0.153 38.580 38.487 0.410 0.000 0.989 402 N HN 0.132 nan 8.380 nan 0.000 0.426 403 R N 1.559 122.264 120.500 0.341 0.000 2.073 403 R HA -0.131 4.209 4.340 0.001 0.000 0.234 403 R C 1.718 178.178 176.300 0.268 0.000 1.134 403 R CA 1.392 57.670 56.100 0.296 0.000 0.952 403 R CB -0.274 30.120 30.300 0.156 0.000 0.850 403 R HN 0.163 nan 8.270 nan 0.000 0.433 404 E N -0.378 119.950 120.200 0.213 0.000 2.110 404 E HA -0.201 4.150 4.350 0.001 0.000 0.193 404 E C 1.749 178.462 176.600 0.187 0.000 0.988 404 E CA 1.635 58.131 56.400 0.161 0.000 0.804 404 E CB -0.624 29.153 29.700 0.127 0.000 0.745 404 E HN 0.432 nan 8.360 nan 0.000 0.458 405 W N -0.348 121.002 121.300 0.085 0.000 2.355 405 W HA -0.211 4.450 4.660 0.000 0.000 0.309 405 W C 1.711 178.232 176.519 0.003 0.000 1.206 405 W CA 1.901 59.256 57.345 0.018 0.000 1.284 405 W CB -0.630 28.815 29.460 -0.025 0.000 1.145 405 W HN 0.128 nan 8.180 nan 0.000 0.502 406 Y N 0.631 121.091 120.300 0.267 0.000 2.224 406 Y HA -0.301 4.249 4.550 0.001 0.000 0.289 406 Y C 2.701 178.550 175.900 -0.086 0.000 1.146 406 Y CA 2.366 60.499 58.100 0.055 0.000 1.182 406 Y CB -1.140 37.461 38.460 0.234 0.000 0.983 406 Y HN 0.065 nan 8.280 nan 0.000 0.524 407 Q N 0.407 120.291 119.800 0.140 0.000 2.084 407 Q HA -0.178 4.162 4.340 0.001 0.000 0.202 407 Q C 2.363 178.336 176.000 -0.045 0.000 0.978 407 Q CA 2.248 58.083 55.803 0.054 0.000 0.844 407 Q CB -0.573 28.201 28.738 0.061 0.000 0.898 407 Q HN 0.420 nan 8.270 nan 0.000 0.426 408 S N -1.193 114.437 115.700 -0.118 0.000 2.442 408 S HA -0.151 4.319 4.470 0.001 0.000 0.236 408 S C 1.866 176.315 174.600 -0.252 0.000 1.007 408 S CA 1.469 59.563 58.200 -0.177 0.000 0.965 408 S CB -0.968 62.111 63.200 -0.202 0.000 0.773 408 S HN 0.623 nan 8.310 nan 0.000 0.504 409 T N -0.141 114.201 114.554 -0.352 0.000 3.067 409 T HA 0.285 4.635 4.350 0.001 0.000 0.261 409 T C 0.762 175.369 174.700 -0.155 0.000 1.110 409 T CA -0.116 61.784 62.100 -0.333 0.000 1.113 409 T CB -0.818 67.756 68.868 -0.490 0.000 0.917 409 T HN 0.479 nan 8.240 nan 0.000 0.499 410 I N 4.440 124.954 120.570 -0.092 0.000 2.483 410 I HA 0.270 4.440 4.170 0.001 0.000 0.291 410 I C -1.794 174.299 176.117 -0.040 0.000 1.112 410 I CA -1.570 59.709 61.300 -0.036 0.000 1.350 410 I CB 0.132 38.132 38.000 0.000 0.000 1.419 410 I HN 0.277 nan 8.210 nan 0.000 0.523 411 P HA 0.000 nan 4.420 nan 0.000 0.216 411 P CA 0.000 63.081 63.100 -0.031 0.000 0.800 411 P CB 0.000 31.677 31.700 -0.039 0.000 0.726