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 3pnd_1_B DATA FIRST_RESID 33 DATA SEQUENCE AQVLEGKTMG TLWRVSVVGI DAKRAAELQT KIQTQLDADD WLLSTYKNDS DATA SEQUENCE ALMRFNHSRS LAPWPVSEAM ADIVTSALRI GAKTDGAMDI TVGPLVNLWG DATA SEQUENCE FGPDRQPLHI PTPAQIDAAK AKTGLQHLQV IDRAGHQFLQ KDLPDLYVDL DATA SEQUENCE STVGEGYAAD HLARLMEQEG IARYLVSVGG ALSSRGMNAQ GQPWRVAIQK DATA SEQUENCE PXXXXXXXQA IVDINGHGIS TSGSYRNYYE LDGKRVSHVI DPQTGRPIEH DATA SEQUENCE NLVSVTVIAP TALEADGWDT GLMVLGTQKA QEVVRREGLA VFMIMKEGEG DATA SEQUENCE FKTWMSPQFK TFLVSD 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 33 A HA 0.000 nan 4.320 nan 0.000 0.244 33 A C 0.000 177.653 177.584 0.115 0.000 1.274 33 A CA 0.000 52.107 52.037 0.116 0.000 0.836 33 A CB 0.000 19.087 19.000 0.144 0.000 0.831 34 Q N 1.529 121.401 119.800 0.120 0.000 2.295 34 Q HA 0.450 4.790 4.340 -0.000 0.000 0.259 34 Q C -0.215 175.849 176.000 0.107 0.000 0.976 34 Q CA -0.126 55.734 55.803 0.096 0.000 0.923 34 Q CB 1.672 30.459 28.738 0.082 0.000 1.185 34 Q HN 0.546 nan 8.270 nan 0.000 0.410 35 V N 4.709 124.673 119.914 0.084 0.000 2.435 35 V HA 0.519 4.639 4.120 -0.000 0.000 0.290 35 V C 0.012 176.135 176.094 0.048 0.000 1.030 35 V CA -0.670 61.674 62.300 0.072 0.000 0.881 35 V CB 1.534 33.393 31.823 0.059 0.000 0.983 35 V HN 0.579 nan 8.190 nan 0.000 0.445 36 L N 4.488 125.747 121.223 0.059 0.000 2.386 36 L HA 0.711 5.051 4.340 -0.000 0.000 0.271 36 L C -0.355 176.409 176.870 -0.176 0.000 0.993 36 L CA -0.450 54.414 54.840 0.040 0.000 0.819 36 L CB 2.301 44.501 42.059 0.234 0.000 1.294 36 L HN 0.600 nan 8.230 nan 0.000 0.414 37 E N 0.894 120.822 120.200 -0.454 0.000 2.393 37 E HA 0.832 5.182 4.350 -0.000 0.000 0.273 37 E C -0.660 175.217 176.600 -1.206 0.000 0.918 37 E CA -0.852 55.035 56.400 -0.855 0.000 0.773 37 E CB 3.158 32.596 29.700 -0.437 0.000 1.275 37 E HN 0.756 nan 8.360 nan 0.000 0.451 38 G N 0.915 108.759 108.800 -1.594 0.000 2.428 38 G HA2 0.341 4.301 3.960 -0.000 0.000 0.304 38 G HA3 0.341 4.301 3.960 -0.000 0.000 0.304 38 G C -1.629 172.826 174.900 -0.741 0.000 1.303 38 G CA -0.836 43.637 45.100 -1.046 0.000 0.825 38 G HN 0.231 nan 8.290 nan 0.000 0.484 39 K N -0.087 120.250 120.400 -0.105 0.000 2.244 39 K HA 0.719 5.039 4.320 -0.000 0.000 0.260 39 K C -1.069 175.714 176.600 0.305 0.000 0.951 39 K CA -0.588 55.742 56.287 0.072 0.000 0.826 39 K CB 2.139 34.654 32.500 0.025 0.000 1.108 39 K HN 0.525 nan 8.250 nan 0.000 0.433 40 T N 1.827 116.548 114.554 0.279 0.000 2.923 40 T HA 0.318 4.668 4.350 -0.000 0.000 0.311 40 T C -0.500 174.252 174.700 0.086 0.000 1.183 40 T CA -0.550 61.666 62.100 0.193 0.000 1.020 40 T CB 0.555 69.545 68.868 0.202 0.000 1.165 40 T HN 0.780 nan 8.240 nan 0.000 0.482 41 M N 2.518 122.131 119.600 0.022 0.000 2.302 41 M HA -0.206 4.273 4.480 -0.000 0.000 0.200 41 M C 1.037 177.279 176.300 -0.095 0.000 0.366 41 M CA 1.155 56.434 55.300 -0.035 0.000 0.440 41 M CB -1.947 30.659 32.600 0.011 0.000 1.475 41 M HN 1.324 nan 8.290 nan 0.000 0.905 42 G N -0.762 107.973 108.800 -0.109 0.000 2.187 42 G HA2 -0.296 3.664 3.960 -0.000 0.000 0.261 42 G HA3 -0.296 3.664 3.960 -0.000 0.000 0.261 42 G C 0.081 174.934 174.900 -0.079 0.000 1.000 42 G CA 1.206 46.222 45.100 -0.139 0.000 0.718 42 G HN 0.796 nan 8.290 nan 0.000 0.519 43 T N -1.704 112.833 114.554 -0.028 0.000 2.618 43 T HA 0.706 5.056 4.350 -0.000 0.000 0.293 43 T C -0.786 173.924 174.700 0.017 0.000 1.093 43 T CA -0.462 61.634 62.100 -0.008 0.000 1.061 43 T CB 0.982 69.853 68.868 0.004 0.000 1.498 43 T HN 0.563 nan 8.240 nan 0.000 0.494 44 L N 2.265 123.495 121.223 0.013 0.000 2.334 44 L HA 0.697 5.037 4.340 -0.000 0.000 0.273 44 L C -0.570 176.340 176.870 0.067 0.000 1.013 44 L CA -1.074 53.750 54.840 -0.026 0.000 0.816 44 L CB 1.567 43.575 42.059 -0.085 0.000 1.278 44 L HN 0.653 nan 8.230 nan 0.000 0.431 45 W N 2.091 123.380 121.300 -0.019 0.000 2.666 45 W HA 0.750 5.410 4.660 -0.000 0.000 0.334 45 W C -1.356 175.147 176.519 -0.026 0.000 1.051 45 W CA -0.945 56.385 57.345 -0.024 0.000 1.224 45 W CB 1.353 30.796 29.460 -0.029 0.000 1.405 45 W HN 0.503 nan 8.180 nan 0.000 0.513 46 R N 2.237 122.895 120.500 0.264 0.000 2.574 46 R HA 0.590 4.930 4.340 -0.000 0.000 0.288 46 R C -1.515 174.922 176.300 0.228 0.000 1.004 46 R CA -1.000 55.174 56.100 0.123 0.000 0.895 46 R CB 2.827 33.130 30.300 0.004 0.000 1.191 46 R HN 0.348 nan 8.270 nan 0.000 0.444 47 V N 1.425 121.486 119.914 0.245 0.000 2.588 47 V HA 0.420 4.540 4.120 -0.000 0.000 0.304 47 V C -0.647 175.490 176.094 0.072 0.000 1.042 47 V CA -0.603 61.785 62.300 0.146 0.000 0.877 47 V CB 2.051 33.985 31.823 0.184 0.000 0.996 47 V HN 0.758 nan 8.190 nan 0.000 0.425 48 S N 3.782 119.465 115.700 -0.027 0.000 2.519 48 S HA 0.856 5.326 4.470 -0.000 0.000 0.309 48 S C -0.839 173.780 174.600 0.031 0.000 1.100 48 S CA -0.481 57.730 58.200 0.020 0.000 1.059 48 S CB 1.433 64.663 63.200 0.050 0.000 1.008 48 S HN 1.022 nan 8.310 nan 0.000 0.478 49 V N 2.287 122.309 119.914 0.181 0.000 2.962 49 V HA 0.918 5.038 4.120 -0.000 0.000 0.313 49 V C -1.058 175.204 176.094 0.280 0.000 1.099 49 V CA -0.784 61.660 62.300 0.240 0.000 0.971 49 V CB 1.691 33.601 31.823 0.145 0.000 1.028 49 V HN 0.563 nan 8.190 nan 0.000 0.430 50 V N 2.617 122.704 119.914 0.288 0.000 2.531 50 V HA 0.920 5.040 4.120 -0.000 0.000 0.301 50 V C 0.933 177.107 176.094 0.134 0.000 1.034 50 V CA 0.529 62.941 62.300 0.188 0.000 0.865 50 V CB 0.621 32.537 31.823 0.154 0.000 0.995 50 V HN 1.677 nan 8.190 nan 0.000 0.424 51 G N 4.331 113.185 108.800 0.091 0.000 2.813 51 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.194 51 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.194 51 G C -0.082 174.850 174.900 0.054 0.000 1.010 51 G CA 0.042 45.183 45.100 0.068 0.000 0.771 51 G HN 0.923 nan 8.290 nan 0.000 0.485 52 I N 0.429 121.034 120.570 0.058 0.000 2.863 52 I HA 0.828 4.997 4.170 -0.000 0.000 0.311 52 I C -0.077 176.065 176.117 0.042 0.000 1.026 52 I CA -1.108 60.218 61.300 0.044 0.000 1.077 52 I CB 1.635 39.660 38.000 0.041 0.000 1.262 52 I HN 0.098 nan 8.210 nan 0.000 0.461 53 D N 2.952 123.371 120.400 0.032 0.000 2.451 53 D HA 0.438 5.078 4.640 -0.000 0.000 0.259 53 D C 1.068 177.386 176.300 0.031 0.000 1.201 53 D CA -0.280 53.738 54.000 0.029 0.000 1.028 53 D CB 1.045 41.859 40.800 0.022 0.000 1.095 53 D HN 0.694 nan 8.370 nan 0.000 0.539 54 A N -0.282 122.555 122.820 0.028 0.000 1.933 54 A HA -0.218 4.102 4.320 -0.000 0.000 0.218 54 A C 1.998 179.598 177.584 0.026 0.000 1.175 54 A CA 1.938 53.992 52.037 0.028 0.000 0.628 54 A CB -0.893 18.122 19.000 0.024 0.000 0.814 54 A HN 0.645 nan 8.150 nan 0.000 0.444 55 K N -0.864 119.550 120.400 0.022 0.000 2.057 55 K HA -0.109 4.211 4.320 -0.000 0.000 0.207 55 K C 2.255 178.867 176.600 0.020 0.000 1.049 55 K CA 1.453 57.751 56.287 0.019 0.000 0.931 55 K CB -0.111 32.398 32.500 0.015 0.000 0.714 55 K HN 0.354 nan 8.250 nan 0.000 0.440 56 R N -0.463 120.049 120.500 0.020 0.000 2.153 56 R HA 0.059 4.399 4.340 -0.000 0.000 0.218 56 R C 1.982 178.295 176.300 0.023 0.000 1.072 56 R CA 0.982 57.093 56.100 0.018 0.000 0.990 56 R CB 0.004 30.315 30.300 0.018 0.000 0.889 56 R HN 0.233 nan 8.270 nan 0.000 0.452 57 A N 0.246 123.085 122.820 0.032 0.000 1.968 57 A HA -0.012 4.308 4.320 -0.000 0.000 0.217 57 A C 2.207 179.819 177.584 0.047 0.000 1.169 57 A CA 1.403 53.465 52.037 0.042 0.000 0.638 57 A CB -0.507 18.524 19.000 0.051 0.000 0.812 57 A HN 0.384 nan 8.150 nan 0.000 0.446 58 A N 0.000 122.844 122.820 0.039 0.000 1.969 58 A HA -0.127 4.193 4.320 -0.000 0.000 0.218 58 A C 1.862 179.469 177.584 0.037 0.000 1.169 58 A CA 1.555 53.617 52.037 0.041 0.000 0.635 58 A CB -0.412 18.608 19.000 0.032 0.000 0.810 58 A HN 0.624 nan 8.150 nan 0.000 0.445 59 E N -0.850 119.365 120.200 0.024 0.000 2.152 59 E HA -0.098 4.252 4.350 -0.000 0.000 0.192 59 E C 1.809 178.412 176.600 0.005 0.000 0.983 59 E CA 0.822 57.230 56.400 0.013 0.000 0.818 59 E CB -0.146 29.558 29.700 0.006 0.000 0.758 59 E HN 0.488 nan 8.360 nan 0.000 0.467 60 L N 1.164 122.392 121.223 0.008 0.000 2.156 60 L HA -0.178 4.162 4.340 -0.000 0.000 0.208 60 L C 2.403 179.272 176.870 -0.002 0.000 1.095 60 L CA 1.602 56.435 54.840 -0.012 0.000 0.770 60 L CB -0.263 41.792 42.059 -0.006 0.000 0.914 60 L HN 0.015 nan 8.230 nan 0.000 0.439 61 Q N -0.962 118.876 119.800 0.063 0.000 2.077 61 Q HA -0.224 4.115 4.340 -0.000 0.000 0.206 61 Q C 1.909 177.958 176.000 0.081 0.000 0.989 61 Q CA 2.936 58.825 55.803 0.143 0.000 0.853 61 Q CB -0.409 28.426 28.738 0.160 0.000 0.907 61 Q HN 0.536 nan 8.270 nan 0.000 0.418 62 T N 0.370 114.948 114.554 0.040 0.000 2.777 62 T HA -0.071 4.279 4.350 -0.000 0.000 0.266 62 T C 1.535 176.216 174.700 -0.031 0.000 1.040 62 T CA 1.390 63.501 62.100 0.018 0.000 1.141 62 T CB -0.123 68.755 68.868 0.016 0.000 0.868 62 T HN 0.311 nan 8.240 nan 0.000 0.444 63 K N 0.611 120.977 120.400 -0.057 0.000 2.097 63 K HA 0.076 4.396 4.320 -0.000 0.000 0.205 63 K C 2.234 178.731 176.600 -0.173 0.000 1.050 63 K CA 0.957 57.185 56.287 -0.098 0.000 0.938 63 K CB -0.298 32.145 32.500 -0.096 0.000 0.718 63 K HN 0.326 nan 8.250 nan 0.000 0.442 64 I N 0.928 121.359 120.570 -0.231 0.000 2.142 64 I HA -0.298 3.872 4.170 -0.000 0.000 0.240 64 I C 2.681 178.519 176.117 -0.465 0.000 1.078 64 I CA 1.175 62.217 61.300 -0.431 0.000 1.343 64 I CB -0.171 37.452 38.000 -0.628 0.000 1.046 64 I HN 0.137 nan 8.210 nan 0.000 0.405 65 Q N 0.707 120.325 119.800 -0.303 0.000 2.084 65 Q HA -0.180 4.160 4.340 -0.000 0.000 0.202 65 Q C 2.119 178.064 176.000 -0.091 0.000 0.978 65 Q CA 2.456 58.168 55.803 -0.150 0.000 0.844 65 Q CB -0.482 28.297 28.738 0.069 0.000 0.898 65 Q HN 0.410 nan 8.270 nan 0.000 0.426 66 T N 0.345 114.856 114.554 -0.072 0.000 2.684 66 T HA -0.249 4.101 4.350 -0.000 0.000 0.267 66 T C 1.610 176.285 174.700 -0.043 0.000 1.036 66 T CA 1.651 63.730 62.100 -0.034 0.000 1.148 66 T CB -0.323 68.523 68.868 -0.036 0.000 0.863 66 T HN 0.504 nan 8.240 nan 0.000 0.436 67 Q N 0.282 120.014 119.800 -0.114 0.000 2.084 67 Q HA -0.031 4.309 4.340 -0.000 0.000 0.202 67 Q C 2.273 178.230 176.000 -0.073 0.000 0.978 67 Q CA 1.163 56.896 55.803 -0.116 0.000 0.844 67 Q CB -0.281 28.293 28.738 -0.272 0.000 0.898 67 Q HN 0.487 nan 8.270 nan 0.000 0.426 68 L N 0.636 121.766 121.223 -0.155 0.000 2.141 68 L HA -0.172 4.168 4.340 -0.000 0.000 0.209 68 L C 1.844 178.724 176.870 0.016 0.000 1.094 68 L CA 0.870 55.642 54.840 -0.114 0.000 0.763 68 L CB -0.283 41.604 42.059 -0.286 0.000 0.908 68 L HN 0.243 nan 8.230 nan 0.000 0.437 69 D N 0.206 120.635 120.400 0.048 0.000 2.144 69 D HA -0.142 4.498 4.640 -0.000 0.000 0.199 69 D C 2.227 178.678 176.300 0.253 0.000 0.984 69 D CA 1.437 55.531 54.000 0.156 0.000 0.834 69 D CB 0.016 40.920 40.800 0.174 0.000 0.955 69 D HN 0.294 nan 8.370 nan 0.000 0.465 70 A N 0.913 123.846 122.820 0.189 0.000 1.930 70 A HA -0.159 4.161 4.320 -0.000 0.000 0.217 70 A C 1.753 179.478 177.584 0.236 0.000 1.175 70 A CA 1.503 53.668 52.037 0.213 0.000 0.627 70 A CB -0.301 18.783 19.000 0.140 0.000 0.815 70 A HN 0.012 nan 8.150 nan 0.000 0.443 71 D N -0.203 120.326 120.400 0.215 0.000 2.178 71 D HA -0.109 4.531 4.640 -0.000 0.000 0.202 71 D C 1.535 177.948 176.300 0.188 0.000 0.974 71 D CA 1.405 55.555 54.000 0.250 0.000 0.841 71 D CB -0.308 40.667 40.800 0.291 0.000 0.953 71 D HN 0.456 nan 8.370 nan 0.000 0.478 72 D N -0.757 119.732 120.400 0.148 0.000 2.097 72 D HA -0.133 4.507 4.640 -0.000 0.000 0.197 72 D C 1.629 177.955 176.300 0.044 0.000 0.984 72 D CA 0.802 54.842 54.000 0.066 0.000 0.826 72 D CB -0.267 40.539 40.800 0.009 0.000 0.973 72 D HN 0.246 nan 8.370 nan 0.000 0.460 73 W N -0.012 121.335 121.300 0.079 0.000 2.825 73 W HA 0.038 4.698 4.660 -0.000 0.000 0.243 73 W C 1.876 178.438 176.519 0.073 0.000 1.293 73 W CA -0.039 57.351 57.345 0.076 0.000 1.403 73 W CB 0.068 29.567 29.460 0.064 0.000 1.134 73 W HN 0.093 nan 8.180 nan 0.000 0.666 74 L N -0.850 120.532 121.223 0.266 0.000 2.253 74 L HA 0.141 4.481 4.340 -0.000 0.000 0.205 74 L C 1.545 178.482 176.870 0.112 0.000 1.078 74 L CA 1.879 56.822 54.840 0.172 0.000 0.805 74 L CB -0.188 41.938 42.059 0.111 0.000 0.963 74 L HN -0.067 nan 8.230 nan 0.000 0.459 75 L N -1.690 119.587 121.223 0.091 0.000 2.781 75 L HA 0.274 4.614 4.340 -0.000 0.000 0.245 75 L C 1.013 177.926 176.870 0.072 0.000 1.118 75 L CA -0.098 54.779 54.840 0.061 0.000 0.918 75 L CB 0.185 42.272 42.059 0.047 0.000 1.246 75 L HN 0.039 nan 8.230 nan 0.000 0.526 76 S N 0.529 116.267 115.700 0.063 0.000 2.549 76 S HA 0.006 4.476 4.470 -0.000 0.000 0.286 76 S C 1.421 176.083 174.600 0.104 0.000 1.314 76 S CA 0.219 58.469 58.200 0.084 0.000 1.062 76 S CB 0.714 63.912 63.200 -0.004 0.000 0.865 76 S HN 0.421 nan 8.310 nan 0.000 0.498 77 T N 2.569 117.235 114.554 0.187 0.000 3.100 77 T HA 0.125 4.475 4.350 -0.000 0.000 0.253 77 T C 0.931 175.626 174.700 -0.007 0.000 1.118 77 T CA 0.422 62.573 62.100 0.085 0.000 1.058 77 T CB -0.382 68.527 68.868 0.068 0.000 0.953 77 T HN 0.738 nan 8.240 nan 0.000 0.515 78 Y N 1.188 121.493 120.300 0.009 0.000 2.457 78 Y HA 0.418 4.968 4.550 -0.000 0.000 0.263 78 Y C 0.760 176.632 175.900 -0.048 0.000 1.164 78 Y CA -0.498 57.602 58.100 -0.002 0.000 1.274 78 Y CB 0.364 38.819 38.460 -0.010 0.000 1.097 78 Y HN 0.033 nan 8.280 nan 0.000 0.523 79 K N 0.715 121.135 120.400 0.034 0.000 2.535 79 K HA 0.191 4.511 4.320 -0.000 0.000 0.253 79 K C -0.166 176.450 176.600 0.027 0.000 0.953 79 K CA -0.433 55.801 56.287 -0.087 0.000 0.863 79 K CB 1.100 33.338 32.500 -0.438 0.000 1.111 79 K HN -0.025 nan 8.250 nan 0.000 0.431 80 N N 1.355 120.122 118.700 0.112 0.000 2.364 80 N HA -0.122 4.618 4.740 -0.000 0.000 0.183 80 N C 0.126 175.800 175.510 0.274 0.000 1.022 80 N CA 1.267 54.458 53.050 0.235 0.000 0.883 80 N CB 0.234 38.839 38.487 0.197 0.000 0.965 80 N HN 0.517 nan 8.380 nan 0.000 0.438 81 D N -0.545 120.035 120.400 0.300 0.000 2.368 81 D HA 0.032 4.672 4.640 -0.000 0.000 0.218 81 D C 0.219 176.843 176.300 0.539 0.000 1.112 81 D CA -0.005 54.248 54.000 0.422 0.000 0.834 81 D CB 0.030 41.118 40.800 0.481 0.000 0.953 81 D HN 0.139 nan 8.370 nan 0.000 0.505 82 S N -0.511 115.416 115.700 0.379 0.000 2.593 82 S HA 0.378 4.848 4.470 -0.000 0.000 0.269 82 S C 1.644 176.417 174.600 0.290 0.000 1.334 82 S CA -0.127 58.288 58.200 0.358 0.000 1.015 82 S CB 1.909 65.196 63.200 0.145 0.000 0.912 82 S HN 0.057 nan 8.310 nan 0.000 0.541 83 A N 1.527 124.508 122.820 0.267 0.000 1.908 83 A HA -0.043 4.277 4.320 -0.000 0.000 0.218 83 A C 2.067 179.794 177.584 0.237 0.000 1.181 83 A CA 1.643 53.827 52.037 0.244 0.000 0.627 83 A CB -1.074 18.032 19.000 0.178 0.000 0.818 83 A HN 0.976 nan 8.150 nan 0.000 0.445 84 L N -1.630 119.684 121.223 0.152 0.000 2.017 84 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 84 L C 2.392 179.278 176.870 0.027 0.000 1.073 84 L CA 2.466 57.371 54.840 0.108 0.000 0.745 84 L CB -0.420 41.670 42.059 0.051 0.000 0.894 84 L HN 0.366 nan 8.230 nan 0.000 0.432 85 M N -0.775 118.820 119.600 -0.009 0.000 2.229 85 M HA -0.103 4.377 4.480 -0.000 0.000 0.264 85 M C 2.320 178.567 176.300 -0.088 0.000 1.063 85 M CA 1.460 56.663 55.300 -0.161 0.000 1.114 85 M CB -0.422 32.154 32.600 -0.040 0.000 1.387 85 M HN 0.144 nan 8.290 nan 0.000 0.420 86 R N -1.678 118.908 120.500 0.143 0.000 2.096 86 R HA -0.158 4.182 4.340 -0.000 0.000 0.235 86 R C 2.087 178.379 176.300 -0.014 0.000 1.127 86 R CA 1.617 57.858 56.100 0.235 0.000 0.968 86 R CB -0.609 29.942 30.300 0.419 0.000 0.861 86 R HN 0.397 nan 8.270 nan 0.000 0.440 87 F N 1.759 121.539 119.950 -0.282 0.000 2.146 87 F HA -0.094 4.433 4.527 -0.000 0.000 0.298 87 F C 1.454 176.866 175.800 -0.647 0.000 1.096 87 F CA 1.472 58.980 58.000 -0.819 0.000 1.275 87 F CB -0.363 38.320 39.000 -0.528 0.000 1.008 87 F HN -0.040 nan 8.300 nan 0.000 0.480 88 N N -1.091 117.183 118.700 -0.709 0.000 2.166 88 N HA -0.189 4.551 4.740 -0.000 0.000 0.186 88 N C 1.348 176.454 175.510 -0.673 0.000 1.019 88 N CA 1.277 53.794 53.050 -0.888 0.000 0.856 88 N CB -0.326 37.468 38.487 -1.155 0.000 0.993 88 N HN 0.447 nan 8.380 nan 0.000 0.426 89 H N -0.801 118.040 119.070 -0.382 0.000 2.529 89 H HA 0.135 4.691 4.556 -0.000 0.000 0.277 89 H C 0.666 175.833 175.328 -0.268 0.000 0.999 89 H CA -0.050 55.857 56.048 -0.236 0.000 1.256 89 H CB 0.301 29.995 29.762 -0.114 0.000 1.402 89 H HN -0.012 nan 8.280 nan 0.000 0.566 90 S N 0.340 115.825 115.700 -0.358 0.000 2.580 90 S HA 0.126 4.596 4.470 -0.000 0.000 0.274 90 S C 1.136 175.528 174.600 -0.348 0.000 1.329 90 S CA -0.533 57.426 58.200 -0.403 0.000 1.036 90 S CB 0.844 63.514 63.200 -0.883 0.000 0.919 90 S HN 0.380 nan 8.310 nan 0.000 0.515 91 R N 1.697 122.085 120.500 -0.187 0.000 2.362 91 R HA 0.157 4.497 4.340 -0.000 0.000 0.227 91 R C 0.461 176.704 176.300 -0.095 0.000 0.905 91 R CA -0.071 55.944 56.100 -0.140 0.000 1.067 91 R CB 0.298 30.553 30.300 -0.074 0.000 1.078 91 R HN 0.566 nan 8.270 nan 0.000 0.516 92 S N 0.701 116.364 115.700 -0.062 0.000 2.533 92 S HA 0.085 4.554 4.470 -0.000 0.000 0.282 92 S C 1.084 175.716 174.600 0.054 0.000 1.304 92 S CA -0.276 57.954 58.200 0.049 0.000 1.063 92 S CB 0.524 63.844 63.200 0.199 0.000 0.881 92 S HN 0.243 nan 8.310 nan 0.000 0.493 93 L N 3.809 125.070 121.223 0.062 0.000 2.585 93 L HA 0.313 4.653 4.340 -0.000 0.000 0.226 93 L C 1.363 178.292 176.870 0.098 0.000 1.113 93 L CA -0.182 54.700 54.840 0.070 0.000 0.876 93 L CB -0.626 41.456 42.059 0.038 0.000 1.072 93 L HN 0.679 nan 8.230 nan 0.000 0.468 94 A N 0.691 123.578 122.820 0.113 0.000 2.346 94 A HA 0.415 4.735 4.320 -0.000 0.000 0.252 94 A C -2.226 175.445 177.584 0.144 0.000 1.089 94 A CA -1.001 51.090 52.037 0.090 0.000 0.797 94 A CB -0.450 18.596 19.000 0.076 0.000 1.047 94 A HN -0.064 nan 8.150 nan 0.000 0.494 95 P HA 0.010 nan 4.420 nan 0.000 0.267 95 P C -0.795 176.672 177.300 0.278 0.000 1.205 95 P CA 0.313 63.431 63.100 0.031 0.000 0.765 95 P CB 0.345 31.754 31.700 -0.485 0.000 0.828 96 W N 7.067 128.503 121.300 0.227 0.000 2.294 96 W HA 0.246 4.906 4.660 -0.000 0.000 0.314 96 W C -2.538 174.131 176.519 0.251 0.000 1.044 96 W CA -2.891 54.596 57.345 0.238 0.000 1.284 96 W CB 1.505 31.100 29.460 0.226 0.000 1.231 96 W HN 0.341 nan 8.180 nan 0.000 0.419 97 P HA -0.038 nan 4.420 nan 0.000 0.263 97 P C -0.339 176.789 177.300 -0.286 0.000 1.195 97 P CA 0.770 63.725 63.100 -0.240 0.000 0.762 97 P CB 1.116 32.671 31.700 -0.241 0.000 0.799 98 V N 0.279 120.041 119.914 -0.254 0.000 3.167 98 V HA 0.722 4.842 4.120 -0.000 0.000 0.310 98 V C 0.186 176.173 176.094 -0.180 0.000 1.207 98 V CA -1.095 61.114 62.300 -0.152 0.000 1.059 98 V CB 1.354 33.123 31.823 -0.090 0.000 1.079 98 V HN 0.596 nan 8.190 nan 0.000 0.446 99 S N -0.403 115.222 115.700 -0.126 0.000 2.624 99 S HA 0.315 4.785 4.470 -0.000 0.000 0.263 99 S C 0.752 175.272 174.600 -0.135 0.000 1.287 99 S CA 0.418 58.543 58.200 -0.124 0.000 0.990 99 S CB 0.692 63.840 63.200 -0.087 0.000 0.950 99 S HN 0.852 nan 8.310 nan 0.000 0.561 100 E N 0.875 121.002 120.200 -0.122 0.000 2.077 100 E HA -0.132 4.218 4.350 -0.000 0.000 0.193 100 E C 2.399 178.934 176.600 -0.109 0.000 0.989 100 E CA 1.225 57.560 56.400 -0.108 0.000 0.800 100 E CB -0.532 29.116 29.700 -0.087 0.000 0.746 100 E HN 0.794 nan 8.360 nan 0.000 0.452 101 A N 1.387 124.134 122.820 -0.121 0.000 1.883 101 A HA -0.246 4.074 4.320 -0.000 0.000 0.217 101 A C 2.178 179.607 177.584 -0.259 0.000 1.186 101 A CA 1.870 53.798 52.037 -0.181 0.000 0.624 101 A CB -0.516 18.367 19.000 -0.196 0.000 0.822 101 A HN 0.225 nan 8.150 nan 0.000 0.444 102 M N 0.313 119.786 119.600 -0.213 0.000 2.080 102 M HA -0.088 4.392 4.480 -0.000 0.000 0.260 102 M C 2.133 178.339 176.300 -0.156 0.000 1.068 102 M CA 1.989 57.174 55.300 -0.191 0.000 1.109 102 M CB -0.604 31.919 32.600 -0.128 0.000 1.342 102 M HN 0.376 nan 8.290 nan 0.000 0.405 103 A N -0.165 122.576 122.820 -0.131 0.000 1.877 103 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 103 A C 1.906 179.441 177.584 -0.081 0.000 1.186 103 A CA 2.130 54.108 52.037 -0.099 0.000 0.620 103 A CB -1.143 17.803 19.000 -0.088 0.000 0.822 103 A HN 0.606 nan 8.150 nan 0.000 0.443 104 D N -0.092 120.256 120.400 -0.086 0.000 2.178 104 D HA -0.081 4.559 4.640 -0.000 0.000 0.202 104 D C 1.857 178.118 176.300 -0.064 0.000 0.974 104 D CA 1.019 54.984 54.000 -0.058 0.000 0.841 104 D CB -0.303 40.472 40.800 -0.041 0.000 0.953 104 D HN 0.541 nan 8.370 nan 0.000 0.478 105 I N 0.418 120.910 120.570 -0.131 0.000 2.163 105 I HA -0.216 3.954 4.170 -0.000 0.000 0.240 105 I C 2.441 178.514 176.117 -0.075 0.000 1.081 105 I CA 0.618 61.837 61.300 -0.136 0.000 1.353 105 I CB -0.169 37.661 38.000 -0.283 0.000 1.054 105 I HN -0.131 nan 8.210 nan 0.000 0.407 106 V N 0.410 120.276 119.914 -0.080 0.000 2.295 106 V HA -0.283 3.837 4.120 -0.000 0.000 0.246 106 V C 2.515 178.593 176.094 -0.027 0.000 1.049 106 V CA 2.449 64.720 62.300 -0.049 0.000 1.024 106 V CB -1.038 30.748 31.823 -0.061 0.000 0.648 106 V HN 0.467 nan 8.190 nan 0.000 0.447 107 T N -0.653 113.886 114.554 -0.026 0.000 2.665 107 T HA -0.253 4.096 4.350 -0.000 0.000 0.268 107 T C 2.162 176.864 174.700 0.003 0.000 1.035 107 T CA 2.095 64.190 62.100 -0.008 0.000 1.151 107 T CB -0.367 68.498 68.868 -0.005 0.000 0.862 107 T HN 0.451 nan 8.240 nan 0.000 0.438 108 S N 0.434 116.137 115.700 0.005 0.000 2.368 108 S HA -0.046 4.424 4.470 -0.000 0.000 0.225 108 S C 2.341 176.949 174.600 0.014 0.000 1.030 108 S CA 1.177 59.392 58.200 0.025 0.000 0.999 108 S CB -0.441 62.783 63.200 0.039 0.000 0.844 108 S HN 0.555 nan 8.310 nan 0.000 0.459 109 A N 0.570 123.388 122.820 -0.003 0.000 2.014 109 A HA 0.165 4.485 4.320 -0.000 0.000 0.218 109 A C 2.055 179.620 177.584 -0.032 0.000 1.163 109 A CA 0.768 52.794 52.037 -0.019 0.000 0.652 109 A CB -0.455 18.538 19.000 -0.011 0.000 0.808 109 A HN 0.532 nan 8.150 nan 0.000 0.449 110 L N -1.213 120.000 121.223 -0.017 0.000 2.109 110 L HA -0.105 4.235 4.340 -0.000 0.000 0.207 110 L C 2.801 179.657 176.870 -0.025 0.000 1.086 110 L CA 1.018 55.849 54.840 -0.016 0.000 0.760 110 L CB -0.305 41.753 42.059 -0.002 0.000 0.910 110 L HN 0.331 nan 8.230 nan 0.000 0.437 111 R N -0.041 120.451 120.500 -0.013 0.000 2.073 111 R HA -0.062 4.278 4.340 -0.000 0.000 0.229 111 R C 2.242 178.523 176.300 -0.032 0.000 1.120 111 R CA 1.170 57.271 56.100 0.001 0.000 0.967 111 R CB -0.275 30.046 30.300 0.034 0.000 0.862 111 R HN 0.280 nan 8.270 nan 0.000 0.436 112 I N 0.120 120.640 120.570 -0.083 0.000 2.286 112 I HA -0.171 3.999 4.170 -0.000 0.000 0.248 112 I C 2.500 178.421 176.117 -0.326 0.000 1.115 112 I CA 1.365 62.501 61.300 -0.273 0.000 1.392 112 I CB -0.638 37.156 38.000 -0.343 0.000 1.065 112 I HN 0.305 nan 8.210 nan 0.000 0.418 113 G N 0.712 109.402 108.800 -0.184 0.000 2.440 113 G HA2 -0.258 3.702 3.960 -0.000 0.000 0.218 113 G HA3 -0.258 3.702 3.960 -0.000 0.000 0.218 113 G C 1.846 176.676 174.900 -0.116 0.000 1.154 113 G CA 0.898 45.913 45.100 -0.141 0.000 0.767 113 G HN 0.502 nan 8.290 nan 0.000 0.552 114 A N 0.447 123.219 122.820 -0.079 0.000 1.968 114 A HA 0.125 4.445 4.320 -0.000 0.000 0.217 114 A C 2.250 179.814 177.584 -0.034 0.000 1.169 114 A CA 1.597 53.609 52.037 -0.042 0.000 0.638 114 A CB -0.189 18.803 19.000 -0.013 0.000 0.812 114 A HN 0.366 nan 8.150 nan 0.000 0.446 115 K N -0.203 120.165 120.400 -0.053 0.000 2.366 115 K HA -0.034 4.286 4.320 -0.000 0.000 0.198 115 K C 1.209 177.782 176.600 -0.045 0.000 1.044 115 K CA 1.345 57.647 56.287 0.024 0.000 0.973 115 K CB -0.054 32.549 32.500 0.173 0.000 0.767 115 K HN 0.655 nan 8.250 nan 0.000 0.475 116 T N -1.545 112.867 114.554 -0.236 0.000 3.163 116 T HA 0.057 4.407 4.350 -0.000 0.000 0.252 116 T C -0.092 174.561 174.700 -0.078 0.000 1.056 116 T CA -0.332 61.638 62.100 -0.217 0.000 0.947 116 T CB -0.022 68.618 68.868 -0.380 0.000 1.016 116 T HN 0.053 nan 8.240 nan 0.000 0.554 117 D N 1.389 121.763 120.400 -0.044 0.000 2.837 117 D HA -0.181 4.458 4.640 -0.000 0.000 0.230 117 D C 1.225 177.509 176.300 -0.027 0.000 1.152 117 D CA 1.256 55.245 54.000 -0.019 0.000 0.736 117 D CB -1.684 39.118 40.800 0.003 0.000 1.084 117 D HN 0.932 nan 8.370 nan 0.000 0.429 118 G N -1.140 107.630 108.800 -0.049 0.000 2.143 118 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.249 118 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.249 118 G C 1.209 176.088 174.900 -0.035 0.000 0.981 118 G CA 1.063 46.140 45.100 -0.038 0.000 0.665 118 G HN 0.909 nan 8.290 nan 0.000 0.528 119 A N -0.377 122.412 122.820 -0.051 0.000 1.855 119 A HA 0.395 4.715 4.320 -0.000 0.000 0.215 119 A C 1.639 179.197 177.584 -0.043 0.000 1.191 119 A CA 2.131 54.147 52.037 -0.036 0.000 0.613 119 A CB -0.192 18.785 19.000 -0.038 0.000 0.829 119 A HN 1.602 nan 8.150 nan 0.000 0.442 120 M N 1.350 120.893 119.600 -0.095 0.000 2.135 120 M HA 0.428 4.908 4.480 -0.000 0.000 0.345 120 M C -1.284 174.977 176.300 -0.066 0.000 1.340 120 M CA -0.614 54.633 55.300 -0.089 0.000 1.162 120 M CB 0.265 32.769 32.600 -0.161 0.000 1.570 120 M HN 0.145 nan 8.290 nan 0.000 0.454 121 D N 4.911 125.299 120.400 -0.020 0.000 2.505 121 D HA 0.240 4.880 4.640 -0.000 0.000 0.250 121 D C 0.668 176.985 176.300 0.028 0.000 1.164 121 D CA -0.401 53.601 54.000 0.003 0.000 0.870 121 D CB 0.806 41.616 40.800 0.017 0.000 1.160 121 D HN 0.822 nan 8.370 nan 0.000 0.549 122 I N 1.052 121.640 120.570 0.030 0.000 3.444 122 I HA 0.039 4.209 4.170 -0.000 0.000 0.287 122 I C 1.322 177.488 176.117 0.081 0.000 1.302 122 I CA 0.527 61.859 61.300 0.054 0.000 1.368 122 I CB -0.272 37.754 38.000 0.044 0.000 1.048 122 I HN 0.240 nan 8.210 nan 0.000 0.487 123 T N -2.393 112.209 114.554 0.080 0.000 3.122 123 T HA 0.172 4.522 4.350 -0.000 0.000 0.250 123 T C 1.360 176.117 174.700 0.095 0.000 1.067 123 T CA 0.128 62.287 62.100 0.099 0.000 0.966 123 T CB 0.114 69.046 68.868 0.106 0.000 1.002 123 T HN 0.207 nan 8.240 nan 0.000 0.542 124 V N 1.673 121.638 119.914 0.085 0.000 3.444 124 V HA 0.169 4.288 4.120 -0.000 0.000 0.271 124 V C 2.321 178.455 176.094 0.067 0.000 1.188 124 V CA 1.059 63.404 62.300 0.075 0.000 1.168 124 V CB -1.261 30.605 31.823 0.071 0.000 0.810 124 V HN 0.681 nan 8.190 nan 0.000 0.500 125 G N 1.180 110.037 108.800 0.095 0.000 2.599 125 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.219 125 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.219 125 G C -0.197 174.592 174.900 -0.185 0.000 1.193 125 G CA 1.347 46.475 45.100 0.046 0.000 0.778 125 G HN 0.548 nan 8.290 nan 0.000 0.589 126 P HA -0.031 nan 4.420 nan 0.000 0.218 126 P C 2.049 179.283 177.300 -0.111 0.000 1.148 126 P CA 0.733 63.732 63.100 -0.169 0.000 0.822 126 P CB -0.112 31.540 31.700 -0.081 0.000 0.784 127 L N -1.527 119.685 121.223 -0.018 0.000 2.072 127 L HA -0.116 4.224 4.340 -0.000 0.000 0.205 127 L C 2.365 179.309 176.870 0.124 0.000 1.079 127 L CA 1.102 55.992 54.840 0.083 0.000 0.752 127 L CB -0.997 41.145 42.059 0.137 0.000 0.906 127 L HN -0.147 nan 8.230 nan 0.000 0.436 128 V N 0.340 120.289 119.914 0.058 0.000 2.287 128 V HA -0.299 3.821 4.120 -0.000 0.000 0.248 128 V C 2.214 178.267 176.094 -0.068 0.000 1.053 128 V CA 1.960 64.299 62.300 0.065 0.000 1.027 128 V CB -0.680 31.184 31.823 0.067 0.000 0.646 128 V HN 0.503 nan 8.190 nan 0.000 0.447 129 N N -0.024 118.568 118.700 -0.179 0.000 2.166 129 N HA -0.129 4.611 4.740 -0.000 0.000 0.186 129 N C 1.634 177.008 175.510 -0.226 0.000 1.019 129 N CA 1.220 54.123 53.050 -0.245 0.000 0.856 129 N CB -0.534 37.728 38.487 -0.376 0.000 0.993 129 N HN 0.412 nan 8.380 nan 0.000 0.426 130 L N -0.529 120.565 121.223 -0.215 0.000 2.046 130 L HA -0.050 4.290 4.340 -0.000 0.000 0.208 130 L C 1.474 178.084 176.870 -0.432 0.000 1.077 130 L CA 1.526 56.184 54.840 -0.304 0.000 0.747 130 L CB -0.583 41.288 42.059 -0.315 0.000 0.896 130 L HN 0.167 nan 8.230 nan 0.000 0.432 131 W N -0.044 120.974 121.300 -0.469 0.000 3.047 131 W HA 0.363 5.023 4.660 -0.000 0.000 0.250 131 W C 1.542 177.522 176.519 -0.898 0.000 1.314 131 W CA 0.664 57.546 57.345 -0.771 0.000 1.540 131 W CB -0.260 28.473 29.460 -1.213 0.000 1.127 131 W HN 0.350 nan 8.180 nan 0.000 0.679 132 G N -0.043 108.510 108.800 -0.412 0.000 2.248 132 G HA2 -0.315 3.645 3.960 -0.000 0.000 0.263 132 G HA3 -0.315 3.645 3.960 -0.000 0.000 0.263 132 G C 0.040 174.882 174.900 -0.098 0.000 1.082 132 G CA -0.075 44.886 45.100 -0.231 0.000 0.863 132 G HN 0.179 nan 8.290 nan 0.000 0.495 133 F N 0.498 120.412 119.950 -0.060 0.000 2.727 133 F HA 0.414 4.941 4.527 -0.000 0.000 0.302 133 F C 1.759 177.581 175.800 0.036 0.000 1.097 133 F CA -0.268 57.668 58.000 -0.107 0.000 1.330 133 F CB 0.132 38.986 39.000 -0.244 0.000 1.084 133 F HN 0.392 nan 8.300 nan 0.000 0.578 134 G N 0.631 109.495 108.800 0.106 0.000 3.099 134 G HA2 0.283 4.243 3.960 -0.000 0.000 0.151 134 G HA3 0.283 4.243 3.960 -0.000 0.000 0.151 134 G C -1.505 173.273 174.900 -0.203 0.000 1.265 134 G CA -0.317 44.733 45.100 -0.083 0.000 0.981 134 G HN -0.082 nan 8.290 nan 0.000 0.601 135 P HA 0.151 nan 4.420 nan 0.000 0.235 135 P C -0.233 177.011 177.300 -0.094 0.000 1.177 135 P CA 0.410 63.320 63.100 -0.317 0.000 0.785 135 P CB 0.370 31.806 31.700 -0.440 0.000 0.885 136 D N 0.851 121.187 120.400 -0.106 0.000 2.398 136 D HA 0.084 4.724 4.640 -0.000 0.000 0.247 136 D C 0.526 176.799 176.300 -0.044 0.000 1.227 136 D CA -0.208 53.750 54.000 -0.070 0.000 0.980 136 D CB 0.775 41.511 40.800 -0.106 0.000 1.106 136 D HN -0.153 nan 8.370 nan 0.000 0.493 137 R N 1.012 121.486 120.500 -0.042 0.000 2.583 137 R HA -0.106 4.234 4.340 -0.000 0.000 0.274 137 R C -0.306 175.964 176.300 -0.051 0.000 0.998 137 R CA 0.224 56.303 56.100 -0.036 0.000 1.081 137 R CB 0.089 30.366 30.300 -0.039 0.000 0.940 137 R HN 0.171 nan 8.270 nan 0.000 0.413 138 Q N 5.150 124.932 119.800 -0.031 0.000 2.337 138 Q HA 0.233 4.573 4.340 -0.000 0.000 0.270 138 Q C -2.104 173.856 176.000 -0.066 0.000 1.002 138 Q CA -1.410 54.370 55.803 -0.038 0.000 0.888 138 Q CB 0.834 29.570 28.738 -0.003 0.000 1.222 138 Q HN 0.495 nan 8.270 nan 0.000 0.400 139 P HA -0.012 nan 4.420 nan 0.000 0.268 139 P C -0.161 177.087 177.300 -0.085 0.000 1.204 139 P CA 0.024 63.054 63.100 -0.117 0.000 0.768 139 P CB 0.635 32.227 31.700 -0.180 0.000 0.842 140 L N 1.346 122.527 121.223 -0.070 0.000 2.083 140 L HA -0.069 4.271 4.340 -0.000 0.000 0.209 140 L C 1.433 178.249 176.870 -0.090 0.000 1.083 140 L CA 1.699 56.501 54.840 -0.063 0.000 0.752 140 L CB -0.820 41.220 42.059 -0.032 0.000 0.899 140 L HN 0.530 nan 8.230 nan 0.000 0.433 141 H N -2.043 116.971 119.070 -0.094 0.000 2.946 141 H HA 0.393 4.949 4.556 -0.000 0.000 0.365 141 H C -0.736 174.506 175.328 -0.142 0.000 1.197 141 H CA -1.414 54.578 56.048 -0.094 0.000 1.131 141 H CB 2.160 31.870 29.762 -0.086 0.000 1.849 141 H HN -0.140 nan 8.280 nan 0.000 0.555 142 I N 3.807 124.476 120.570 0.164 0.000 2.668 142 I HA 0.074 4.243 4.170 -0.000 0.000 0.285 142 I C -1.966 174.031 176.117 -0.200 0.000 1.168 142 I CA -1.075 60.206 61.300 -0.031 0.000 1.424 142 I CB 0.562 38.609 38.000 0.079 0.000 1.377 142 I HN 0.302 nan 8.210 nan 0.000 0.560 143 P HA 0.009 nan 4.420 nan 0.000 0.261 143 P C -0.632 176.472 177.300 -0.327 0.000 1.183 143 P CA -0.037 62.741 63.100 -0.537 0.000 0.761 143 P CB 0.132 31.205 31.700 -1.045 0.000 0.785 144 T N 1.759 116.178 114.554 -0.225 0.000 2.860 144 T HA 0.168 4.518 4.350 -0.000 0.000 0.299 144 T C -1.720 172.912 174.700 -0.112 0.000 1.045 144 T CA -1.535 60.478 62.100 -0.144 0.000 1.071 144 T CB 0.202 68.994 68.868 -0.127 0.000 0.985 144 T HN 0.143 nan 8.240 nan 0.000 0.537 145 P HA -0.060 nan 4.420 nan 0.000 0.217 145 P C 1.598 178.874 177.300 -0.040 0.000 1.148 145 P CA 1.441 64.523 63.100 -0.030 0.000 0.828 145 P CB -0.278 31.414 31.700 -0.015 0.000 0.783 146 A N -0.440 122.347 122.820 -0.055 0.000 1.898 146 A HA -0.246 4.074 4.320 -0.000 0.000 0.216 146 A C 2.243 179.785 177.584 -0.070 0.000 1.181 146 A CA 1.553 53.557 52.037 -0.055 0.000 0.620 146 A CB -1.279 17.686 19.000 -0.057 0.000 0.819 146 A HN 0.176 nan 8.150 nan 0.000 0.442 147 Q N -0.568 119.171 119.800 -0.101 0.000 2.124 147 Q HA -0.066 4.274 4.340 -0.000 0.000 0.202 147 Q C 1.954 177.879 176.000 -0.126 0.000 0.977 147 Q CA 1.417 57.142 55.803 -0.130 0.000 0.850 147 Q CB -0.279 28.347 28.738 -0.186 0.000 0.901 147 Q HN 0.749 nan 8.270 nan 0.000 0.429 148 I N 0.630 121.136 120.570 -0.107 0.000 2.252 148 I HA -0.254 3.916 4.170 -0.000 0.000 0.245 148 I C 1.509 177.621 176.117 -0.008 0.000 1.102 148 I CA 0.951 62.225 61.300 -0.043 0.000 1.385 148 I CB -0.155 37.861 38.000 0.027 0.000 1.064 148 I HN 0.138 nan 8.210 nan 0.000 0.414 149 D N 1.021 121.413 120.400 -0.013 0.000 2.144 149 D HA -0.118 4.522 4.640 -0.000 0.000 0.200 149 D C 2.228 178.519 176.300 -0.015 0.000 0.978 149 D CA 1.462 55.459 54.000 -0.005 0.000 0.833 149 D CB -0.102 40.693 40.800 -0.007 0.000 0.961 149 D HN 0.321 nan 8.370 nan 0.000 0.470 150 A N 0.650 123.450 122.820 -0.034 0.000 1.969 150 A HA 0.045 4.365 4.320 -0.000 0.000 0.218 150 A C 2.233 179.792 177.584 -0.042 0.000 1.169 150 A CA 1.848 53.861 52.037 -0.041 0.000 0.635 150 A CB -0.418 18.549 19.000 -0.055 0.000 0.810 150 A HN 0.227 nan 8.150 nan 0.000 0.445 151 A N 0.904 123.696 122.820 -0.046 0.000 1.898 151 A HA -0.074 4.246 4.320 -0.000 0.000 0.214 151 A C 2.037 179.613 177.584 -0.013 0.000 1.183 151 A CA 1.581 53.591 52.037 -0.045 0.000 0.622 151 A CB -0.392 18.571 19.000 -0.062 0.000 0.824 151 A HN 0.660 nan 8.150 nan 0.000 0.444 152 K N -0.392 120.014 120.400 0.009 0.000 2.432 152 K HA 0.331 4.651 4.320 -0.000 0.000 0.196 152 K C 1.593 178.211 176.600 0.029 0.000 1.038 152 K CA 0.932 57.237 56.287 0.031 0.000 0.986 152 K CB -0.246 32.282 32.500 0.048 0.000 0.782 152 K HN 0.204 nan 8.250 nan 0.000 0.485 153 A N 2.038 124.865 122.820 0.011 0.000 2.172 153 A HA -0.067 4.253 4.320 -0.000 0.000 0.216 153 A C 1.443 179.019 177.584 -0.012 0.000 1.154 153 A CA 0.933 52.976 52.037 0.009 0.000 0.701 153 A CB -0.228 18.768 19.000 -0.006 0.000 0.789 153 A HN 0.374 nan 8.150 nan 0.000 0.465 154 K N 0.021 120.408 120.400 -0.023 0.000 2.374 154 K HA 0.069 4.389 4.320 -0.000 0.000 0.196 154 K C 0.391 176.980 176.600 -0.018 0.000 1.023 154 K CA 0.610 56.864 56.287 -0.055 0.000 1.103 154 K CB 0.341 32.809 32.500 -0.054 0.000 0.848 154 K HN 0.583 nan 8.250 nan 0.000 0.528 155 T N -1.719 112.860 114.554 0.041 0.000 2.944 155 T HA 0.721 5.071 4.350 -0.000 0.000 0.284 155 T C 0.237 175.051 174.700 0.190 0.000 1.010 155 T CA -0.710 61.446 62.100 0.093 0.000 1.025 155 T CB 1.999 70.911 68.868 0.074 0.000 1.079 155 T HN 0.144 nan 8.240 nan 0.000 0.516 156 G N 0.451 109.369 108.800 0.196 0.000 2.220 156 G HA2 0.233 4.193 3.960 -0.000 0.000 0.232 156 G HA3 0.233 4.193 3.960 -0.000 0.000 0.232 156 G C -0.008 174.950 174.900 0.097 0.000 1.680 156 G CA -0.716 44.484 45.100 0.167 0.000 0.922 156 G HN 0.812 nan 8.290 nan 0.000 0.723 157 L N 0.936 122.167 121.223 0.014 0.000 2.291 157 L HA -0.076 4.264 4.340 -0.000 0.000 0.214 157 L C 2.875 179.722 176.870 -0.039 0.000 1.120 157 L CA 1.368 56.210 54.840 0.003 0.000 0.799 157 L CB -0.124 41.929 42.059 -0.010 0.000 0.925 157 L HN 0.687 nan 8.230 nan 0.000 0.446 158 Q N -1.293 118.420 119.800 -0.144 0.000 2.291 158 Q HA -0.144 4.196 4.340 -0.000 0.000 0.205 158 Q C 1.650 177.539 176.000 -0.185 0.000 0.970 158 Q CA 1.107 56.788 55.803 -0.204 0.000 0.876 158 Q CB -0.406 28.139 28.738 -0.322 0.000 0.935 158 Q HN 0.492 nan 8.270 nan 0.000 0.455 159 H N -0.961 118.127 119.070 0.030 0.000 2.547 159 H HA 0.226 4.782 4.556 -0.000 0.000 0.266 159 H C -0.260 175.103 175.328 0.058 0.000 0.988 159 H CA 0.134 56.205 56.048 0.037 0.000 1.147 159 H CB 0.310 30.090 29.762 0.030 0.000 1.365 159 H HN 0.132 nan 8.280 nan 0.000 0.589 160 L N 0.977 122.283 121.223 0.139 0.000 2.365 160 L HA 0.357 4.697 4.340 -0.000 0.000 0.273 160 L C -0.779 176.139 176.870 0.080 0.000 1.000 160 L CA -0.499 54.419 54.840 0.130 0.000 0.819 160 L CB 2.379 44.516 42.059 0.130 0.000 1.284 160 L HN -0.061 nan 8.230 nan 0.000 0.418 161 Q N 2.486 122.334 119.800 0.079 0.000 2.389 161 Q HA 0.699 5.039 4.340 -0.000 0.000 0.277 161 Q C -1.776 174.249 176.000 0.042 0.000 1.082 161 Q CA -0.869 54.967 55.803 0.055 0.000 0.810 161 Q CB 3.010 31.785 28.738 0.062 0.000 1.374 161 Q HN 0.483 nan 8.270 nan 0.000 0.422 162 V N 3.341 123.277 119.914 0.036 0.000 2.495 162 V HA 0.535 4.655 4.120 -0.000 0.000 0.298 162 V C -0.528 175.606 176.094 0.067 0.000 1.031 162 V CA -0.562 61.760 62.300 0.036 0.000 0.871 162 V CB 1.627 33.455 31.823 0.008 0.000 0.988 162 V HN 0.614 nan 8.190 nan 0.000 0.432 163 I N 3.874 124.516 120.570 0.121 0.000 2.382 163 I HA 0.418 4.588 4.170 -0.000 0.000 0.285 163 I C -0.738 175.488 176.117 0.182 0.000 1.007 163 I CA -0.364 61.031 61.300 0.159 0.000 1.142 163 I CB 1.530 39.645 38.000 0.193 0.000 1.289 163 I HN 0.503 nan 8.210 nan 0.000 0.453 164 D N 7.430 127.896 120.400 0.109 0.000 2.193 164 D HA 0.536 5.176 4.640 -0.000 0.000 0.244 164 D C -0.146 176.212 176.300 0.098 0.000 1.064 164 D CA -0.311 53.732 54.000 0.073 0.000 0.845 164 D CB 1.965 42.783 40.800 0.031 0.000 1.148 164 D HN 0.431 nan 8.370 nan 0.000 0.464 165 R N 0.218 120.778 120.500 0.100 0.000 2.869 165 R HA 0.661 5.001 4.340 -0.000 0.000 0.263 165 R C -0.789 175.555 176.300 0.072 0.000 1.066 165 R CA -1.099 55.072 56.100 0.119 0.000 0.960 165 R CB 1.370 31.803 30.300 0.222 0.000 1.221 165 R HN 0.376 nan 8.270 nan 0.000 0.474 166 A N 0.801 123.667 122.820 0.075 0.000 2.473 166 A HA 0.413 4.733 4.320 -0.000 0.000 0.282 166 A C 1.093 178.687 177.584 0.017 0.000 1.163 166 A CA 0.942 53.001 52.037 0.037 0.000 0.827 166 A CB -1.081 17.943 19.000 0.040 0.000 1.098 166 A HN 0.955 nan 8.150 nan 0.000 0.515 167 G N 1.999 110.745 108.800 -0.091 0.000 2.162 167 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.260 167 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.260 167 G C 0.038 174.566 174.900 -0.619 0.000 0.976 167 G CA 0.546 45.475 45.100 -0.286 0.000 0.655 167 G HN 1.146 nan 8.290 nan 0.000 0.533 168 H N -0.673 118.324 119.070 -0.121 0.000 2.954 168 H HA 0.542 5.098 4.556 -0.000 0.000 0.361 168 H C -0.665 174.419 175.328 -0.408 0.000 1.122 168 H CA -0.470 55.404 56.048 -0.290 0.000 1.217 168 H CB 1.893 31.546 29.762 -0.181 0.000 1.776 168 H HN 0.306 nan 8.280 nan 0.000 0.533 169 Q N 1.677 121.137 119.800 -0.566 0.000 2.394 169 Q HA 0.621 4.961 4.340 -0.000 0.000 0.273 169 Q C -1.280 174.252 176.000 -0.779 0.000 1.089 169 Q CA -0.534 54.993 55.803 -0.459 0.000 0.812 169 Q CB 2.511 31.107 28.738 -0.238 0.000 1.353 169 Q HN 0.371 nan 8.270 nan 0.000 0.438 170 F N 0.255 120.197 119.950 -0.013 0.000 2.578 170 F HA 0.557 5.084 4.527 -0.000 0.000 0.311 170 F C -0.821 174.950 175.800 -0.048 0.000 1.094 170 F CA -0.907 57.083 58.000 -0.017 0.000 0.923 170 F CB 1.382 40.388 39.000 0.010 0.000 1.230 170 F HN 0.207 nan 8.300 nan 0.000 0.450 171 L N 2.211 123.485 121.223 0.085 0.000 2.322 171 L HA 0.616 4.956 4.340 -0.000 0.000 0.279 171 L C -0.678 176.208 176.870 0.027 0.000 1.036 171 L CA -0.609 54.160 54.840 -0.119 0.000 0.807 171 L CB 1.909 43.591 42.059 -0.628 0.000 1.226 171 L HN 0.637 nan 8.230 nan 0.000 0.433 172 Q N 3.303 123.152 119.800 0.083 0.000 2.305 172 Q HA 0.416 4.756 4.340 -0.000 0.000 0.271 172 Q C -1.573 174.564 176.000 0.229 0.000 1.046 172 Q CA -0.879 55.039 55.803 0.191 0.000 0.798 172 Q CB 2.375 31.190 28.738 0.129 0.000 1.286 172 Q HN 0.606 nan 8.270 nan 0.000 0.435 173 K N 1.363 121.931 120.400 0.280 0.000 2.259 173 K HA 0.397 4.717 4.320 -0.000 0.000 0.252 173 K C -0.652 176.021 176.600 0.122 0.000 0.936 173 K CA -0.697 55.711 56.287 0.202 0.000 0.810 173 K CB 1.577 34.176 32.500 0.164 0.000 1.143 173 K HN 0.538 nan 8.250 nan 0.000 0.427 174 D N 1.843 122.316 120.400 0.122 0.000 2.368 174 D HA 0.119 4.759 4.640 -0.000 0.000 0.218 174 D C -0.475 175.845 176.300 0.033 0.000 1.112 174 D CA -0.217 53.840 54.000 0.095 0.000 0.834 174 D CB 0.108 40.989 40.800 0.134 0.000 0.953 174 D HN 0.315 nan 8.370 nan 0.000 0.505 175 L N 0.050 121.251 121.223 -0.037 0.000 2.476 175 L HA 0.407 4.747 4.340 -0.000 0.000 0.269 175 L C -2.237 174.554 176.870 -0.133 0.000 0.965 175 L CA -1.861 52.894 54.840 -0.142 0.000 0.845 175 L CB 2.568 44.410 42.059 -0.361 0.000 1.259 175 L HN -0.326 nan 8.230 nan 0.000 0.403 176 P HA -0.040 nan 4.420 nan 0.000 0.219 176 P C 0.580 177.786 177.300 -0.157 0.000 1.150 176 P CA 0.853 63.871 63.100 -0.137 0.000 0.814 176 P CB 0.342 31.984 31.700 -0.097 0.000 0.787 177 D N -0.613 119.709 120.400 -0.131 0.000 2.182 177 D HA -0.090 4.550 4.640 -0.000 0.000 0.201 177 D C 0.820 177.061 176.300 -0.097 0.000 0.986 177 D CA 0.500 54.436 54.000 -0.105 0.000 0.847 177 D CB -0.701 40.039 40.800 -0.101 0.000 0.942 177 D HN 0.086 nan 8.370 nan 0.000 0.467 178 L N 0.727 121.870 121.223 -0.134 0.000 2.640 178 L HA -0.137 4.202 4.340 -0.000 0.000 0.280 178 L C -0.670 176.140 176.870 -0.100 0.000 1.229 178 L CA 0.751 55.535 54.840 -0.094 0.000 0.919 178 L CB -0.007 42.001 42.059 -0.084 0.000 1.168 178 L HN -0.035 nan 8.230 nan 0.000 0.496 179 Y N 4.586 124.803 120.300 -0.137 0.000 2.363 179 Y HA 0.489 5.039 4.550 -0.000 0.000 0.325 179 Y C -0.679 175.183 175.900 -0.064 0.000 0.984 179 Y CA -0.917 57.097 58.100 -0.143 0.000 1.248 179 Y CB 1.242 39.624 38.460 -0.129 0.000 1.116 179 Y HN 0.295 nan 8.280 nan 0.000 0.470 180 V N 5.525 125.418 119.914 -0.035 0.000 2.498 180 V HA 0.235 4.355 4.120 -0.000 0.000 0.279 180 V C -0.459 175.694 176.094 0.098 0.000 1.048 180 V CA -0.341 62.005 62.300 0.077 0.000 0.967 180 V CB 1.306 33.205 31.823 0.128 0.000 0.988 180 V HN 0.665 nan 8.190 nan 0.000 0.473 181 D N 4.205 124.690 120.400 0.142 0.000 2.481 181 D HA 0.404 5.044 4.640 -0.000 0.000 0.246 181 D C -0.092 176.269 176.300 0.102 0.000 1.109 181 D CA -0.376 53.711 54.000 0.144 0.000 0.845 181 D CB 1.765 42.667 40.800 0.171 0.000 1.160 181 D HN 0.411 nan 8.370 nan 0.000 0.534 182 L N 2.805 124.082 121.223 0.090 0.000 2.928 182 L HA 0.183 4.523 4.340 -0.000 0.000 0.246 182 L C 1.784 178.708 176.870 0.089 0.000 1.239 182 L CA -0.187 54.695 54.840 0.071 0.000 1.035 182 L CB 0.233 42.316 42.059 0.041 0.000 1.360 182 L HN 0.221 nan 8.230 nan 0.000 0.529 183 S N -0.360 115.408 115.700 0.113 0.000 2.370 183 S HA -0.208 4.262 4.470 -0.000 0.000 0.226 183 S C 1.919 176.580 174.600 0.102 0.000 1.033 183 S CA 2.128 60.405 58.200 0.128 0.000 1.011 183 S CB -0.093 63.203 63.200 0.160 0.000 0.852 183 S HN 0.488 nan 8.310 nan 0.000 0.457 184 T N 0.324 114.930 114.554 0.087 0.000 3.215 184 T HA 0.197 4.547 4.350 -0.000 0.000 0.254 184 T C 0.912 175.657 174.700 0.075 0.000 1.149 184 T CA 0.425 62.570 62.100 0.075 0.000 1.042 184 T CB -0.073 68.830 68.868 0.059 0.000 0.966 184 T HN 0.150 nan 8.240 nan 0.000 0.534 185 V N -1.074 118.888 119.914 0.081 0.000 3.380 185 V HA 0.380 4.500 4.120 -0.000 0.000 0.277 185 V C 2.127 178.292 176.094 0.118 0.000 1.590 185 V CA 0.739 63.091 62.300 0.087 0.000 1.019 185 V CB 0.282 32.140 31.823 0.059 0.000 0.828 185 V HN 0.455 nan 8.190 nan 0.000 0.427 186 G N 0.070 108.939 108.800 0.116 0.000 2.414 186 G HA2 -0.214 3.745 3.960 -0.000 0.000 0.215 186 G HA3 -0.214 3.745 3.960 -0.000 0.000 0.215 186 G C 1.143 176.148 174.900 0.176 0.000 1.188 186 G CA 1.193 46.382 45.100 0.148 0.000 0.783 186 G HN 0.524 nan 8.290 nan 0.000 0.537 187 E N 0.287 120.563 120.200 0.127 0.000 2.085 187 E HA -0.022 4.328 4.350 -0.000 0.000 0.194 187 E C 2.671 179.332 176.600 0.101 0.000 0.994 187 E CA 1.100 57.563 56.400 0.105 0.000 0.801 187 E CB -0.579 29.172 29.700 0.085 0.000 0.743 187 E HN 0.341 nan 8.360 nan 0.000 0.453 188 G N -0.023 108.847 108.800 0.116 0.000 2.446 188 G HA2 -0.342 3.618 3.960 -0.000 0.000 0.217 188 G HA3 -0.342 3.618 3.960 -0.000 0.000 0.217 188 G C 1.486 176.460 174.900 0.123 0.000 1.168 188 G CA 1.114 46.281 45.100 0.112 0.000 0.771 188 G HN 0.336 nan 8.290 nan 0.000 0.551 189 Y N 2.075 122.404 120.300 0.049 0.000 2.114 189 Y HA -0.018 4.532 4.550 -0.000 0.000 0.284 189 Y C 2.936 178.874 175.900 0.064 0.000 1.143 189 Y CA 1.564 59.690 58.100 0.043 0.000 1.135 189 Y CB -0.640 37.835 38.460 0.024 0.000 0.980 189 Y HN 0.254 nan 8.280 nan 0.000 0.499 190 A N 0.785 123.587 122.820 -0.030 0.000 1.917 190 A HA -0.213 4.107 4.320 -0.000 0.000 0.219 190 A C 2.444 179.932 177.584 -0.160 0.000 1.182 190 A CA 2.381 54.349 52.037 -0.115 0.000 0.633 190 A CB -1.605 17.409 19.000 0.024 0.000 0.819 190 A HN 0.687 nan 8.150 nan 0.000 0.448 191 A N -0.243 122.528 122.820 -0.082 0.000 1.873 191 A HA -0.158 4.162 4.320 -0.000 0.000 0.215 191 A C 1.817 179.343 177.584 -0.097 0.000 1.186 191 A CA 1.764 53.760 52.037 -0.068 0.000 0.616 191 A CB -0.534 18.462 19.000 -0.006 0.000 0.823 191 A HN 0.480 nan 8.150 nan 0.000 0.442 192 D N -1.380 118.963 120.400 -0.095 0.000 2.117 192 D HA -0.153 4.487 4.640 -0.000 0.000 0.198 192 D C 1.727 177.952 176.300 -0.126 0.000 0.982 192 D CA 1.435 55.387 54.000 -0.080 0.000 0.828 192 D CB -0.566 40.213 40.800 -0.035 0.000 0.967 192 D HN 0.760 nan 8.370 nan 0.000 0.464 193 H N -0.169 118.645 119.070 -0.426 0.000 2.423 193 H HA -0.081 4.475 4.556 -0.000 0.000 0.297 193 H C 2.058 177.199 175.328 -0.312 0.000 1.075 193 H CA 0.347 56.127 56.048 -0.446 0.000 1.342 193 H CB 0.190 29.487 29.762 -0.774 0.000 1.395 193 H HN -0.010 nan 8.280 nan 0.000 0.530 194 L N 0.750 121.783 121.223 -0.315 0.000 2.141 194 L HA -0.038 4.302 4.340 -0.000 0.000 0.209 194 L C 2.666 179.315 176.870 -0.368 0.000 1.094 194 L CA 1.545 56.165 54.840 -0.367 0.000 0.763 194 L CB -0.806 41.070 42.059 -0.306 0.000 0.908 194 L HN 0.311 nan 8.230 nan 0.000 0.437 195 A N -0.847 121.798 122.820 -0.291 0.000 1.930 195 A HA -0.180 4.140 4.320 -0.000 0.000 0.217 195 A C 2.411 179.807 177.584 -0.314 0.000 1.175 195 A CA 1.357 53.178 52.037 -0.359 0.000 0.627 195 A CB -0.399 18.579 19.000 -0.037 0.000 0.815 195 A HN 0.399 nan 8.150 nan 0.000 0.443 196 R N -1.232 119.159 120.500 -0.182 0.000 2.090 196 R HA -0.028 4.312 4.340 -0.000 0.000 0.228 196 R C 2.070 178.271 176.300 -0.166 0.000 1.110 196 R CA 1.205 57.236 56.100 -0.114 0.000 0.973 196 R CB -0.486 29.802 30.300 -0.019 0.000 0.869 196 R HN 0.484 nan 8.270 nan 0.000 0.440 197 L N 0.480 121.550 121.223 -0.255 0.000 2.046 197 L HA -0.149 4.191 4.340 -0.000 0.000 0.208 197 L C 2.148 178.867 176.870 -0.252 0.000 1.077 197 L CA 1.634 56.316 54.840 -0.263 0.000 0.747 197 L CB -0.253 41.598 42.059 -0.347 0.000 0.896 197 L HN 0.063 nan 8.230 nan 0.000 0.432 198 M N -0.502 118.881 119.600 -0.362 0.000 2.108 198 M HA -0.190 4.290 4.480 -0.000 0.000 0.261 198 M C 2.163 178.326 176.300 -0.228 0.000 1.066 198 M CA 1.536 56.595 55.300 -0.401 0.000 1.107 198 M CB -0.778 31.270 32.600 -0.919 0.000 1.356 198 M HN 0.254 nan 8.290 nan 0.000 0.406 199 E N 0.020 120.109 120.200 -0.184 0.000 2.047 199 E HA -0.198 4.152 4.350 -0.000 0.000 0.191 199 E C 1.930 178.507 176.600 -0.039 0.000 0.987 199 E CA 1.464 57.836 56.400 -0.047 0.000 0.799 199 E CB -0.494 29.200 29.700 -0.009 0.000 0.752 199 E HN 0.767 nan 8.360 nan 0.000 0.449 200 Q N 0.355 120.117 119.800 -0.062 0.000 2.369 200 Q HA -0.048 4.292 4.340 -0.000 0.000 0.206 200 Q C 1.151 177.124 176.000 -0.046 0.000 0.963 200 Q CA 0.768 56.543 55.803 -0.046 0.000 0.894 200 Q CB 0.015 28.725 28.738 -0.047 0.000 0.965 200 Q HN 0.041 nan 8.270 nan 0.000 0.475 201 E N 0.547 120.709 120.200 -0.063 0.000 2.502 201 E HA 0.045 4.395 4.350 -0.000 0.000 0.194 201 E C 0.922 177.508 176.600 -0.023 0.000 1.062 201 E CA 0.692 57.063 56.400 -0.049 0.000 0.867 201 E CB 0.539 30.197 29.700 -0.070 0.000 0.888 201 E HN 0.648 nan 8.360 nan 0.000 0.510 202 G N 1.567 110.360 108.800 -0.012 0.000 2.159 202 G HA2 -0.286 3.673 3.960 -0.000 0.000 0.256 202 G HA3 -0.286 3.673 3.960 -0.000 0.000 0.256 202 G C 0.337 175.260 174.900 0.037 0.000 0.977 202 G CA 0.157 45.265 45.100 0.013 0.000 0.652 202 G HN 0.272 nan 8.290 nan 0.000 0.531 203 I N 0.937 121.530 120.570 0.038 0.000 2.325 203 I HA 0.525 4.695 4.170 -0.000 0.000 0.291 203 I C 1.345 177.581 176.117 0.198 0.000 1.019 203 I CA 0.130 61.488 61.300 0.095 0.000 1.302 203 I CB 1.527 39.568 38.000 0.068 0.000 1.401 203 I HN 0.125 nan 8.210 nan 0.000 0.485 204 A N 6.808 129.755 122.820 0.211 0.000 2.140 204 A HA 0.240 4.559 4.320 -0.000 0.000 0.209 204 A C 0.963 178.670 177.584 0.205 0.000 1.181 204 A CA 0.099 52.271 52.037 0.225 0.000 0.824 204 A CB 0.286 19.359 19.000 0.120 0.000 0.879 204 A HN 0.637 nan 8.150 nan 0.000 0.480 205 R N 0.593 121.240 120.500 0.245 0.000 2.247 205 R HA 0.522 4.862 4.340 -0.000 0.000 0.329 205 R C -1.542 175.018 176.300 0.434 0.000 1.014 205 R CA -0.271 55.997 56.100 0.279 0.000 0.907 205 R CB 0.267 30.711 30.300 0.240 0.000 1.146 205 R HN 0.554 nan 8.270 nan 0.000 0.499 206 Y N -0.340 120.100 120.300 0.233 0.000 2.609 206 Y HA 0.621 5.171 4.550 -0.000 0.000 0.336 206 Y C -1.765 173.530 175.900 -1.010 0.000 1.129 206 Y CA -1.518 56.441 58.100 -0.235 0.000 1.040 206 Y CB 1.583 39.951 38.460 -0.154 0.000 1.310 206 Y HN 0.371 nan 8.280 nan 0.000 0.460 207 L N 3.696 124.330 121.223 -0.982 0.000 2.381 207 L HA 0.844 5.184 4.340 -0.000 0.000 0.274 207 L C -1.268 175.459 176.870 -0.239 0.000 0.988 207 L CA -1.013 53.367 54.840 -0.766 0.000 0.824 207 L CB 1.776 43.205 42.059 -1.051 0.000 1.263 207 L HN 0.827 nan 8.230 nan 0.000 0.410 208 V N 1.240 121.113 119.914 -0.068 0.000 2.628 208 V HA 0.864 4.984 4.120 -0.000 0.000 0.306 208 V C -0.440 175.648 176.094 -0.010 0.000 1.045 208 V CA -0.424 61.856 62.300 -0.033 0.000 0.905 208 V CB 1.599 33.383 31.823 -0.066 0.000 0.997 208 V HN 0.758 nan 8.190 nan 0.000 0.436 209 S N 2.601 118.323 115.700 0.038 0.000 2.614 209 S HA 0.764 5.234 4.470 -0.000 0.000 0.275 209 S C -1.299 173.370 174.600 0.115 0.000 1.161 209 S CA -0.397 57.839 58.200 0.059 0.000 0.969 209 S CB 1.692 64.922 63.200 0.049 0.000 1.059 209 S HN 1.035 nan 8.310 nan 0.000 0.482 210 V N 5.095 125.064 119.914 0.090 0.000 2.447 210 V HA 0.732 4.852 4.120 -0.000 0.000 0.292 210 V C 1.125 177.272 176.094 0.088 0.000 1.021 210 V CA 0.371 62.741 62.300 0.117 0.000 0.850 210 V CB 0.410 32.282 31.823 0.082 0.000 1.005 210 V HN 1.410 nan 8.190 nan 0.000 0.426 211 G N 5.076 113.928 108.800 0.085 0.000 2.565 211 G HA2 -0.209 3.751 3.960 -0.000 0.000 0.295 211 G HA3 -0.209 3.751 3.960 -0.000 0.000 0.295 211 G C 0.967 175.897 174.900 0.050 0.000 1.165 211 G CA 0.542 45.676 45.100 0.057 0.000 0.977 211 G HN 1.517 nan 8.290 nan 0.000 0.546 212 G N 0.746 109.577 108.800 0.051 0.000 3.126 212 G HA2 0.647 4.607 3.960 -0.000 0.000 0.224 212 G HA3 0.647 4.607 3.960 -0.000 0.000 0.224 212 G C 0.533 175.469 174.900 0.059 0.000 1.142 212 G CA 1.361 46.493 45.100 0.053 0.000 0.759 212 G HN 1.770 nan 8.290 nan 0.000 0.550 213 A N 0.273 123.130 122.820 0.061 0.000 2.301 213 A HA 0.809 5.129 4.320 -0.000 0.000 0.312 213 A C -0.986 176.626 177.584 0.047 0.000 1.182 213 A CA -0.405 51.668 52.037 0.060 0.000 0.826 213 A CB 1.116 20.157 19.000 0.067 0.000 1.134 213 A HN 0.403 nan 8.150 nan 0.000 0.501 214 L N 1.628 122.873 121.223 0.037 0.000 2.472 214 L HA 0.725 5.065 4.340 -0.000 0.000 0.260 214 L C -0.462 176.415 176.870 0.013 0.000 0.963 214 L CA -0.105 54.747 54.840 0.020 0.000 0.829 214 L CB 2.286 44.355 42.059 0.017 0.000 1.348 214 L HN 0.750 nan 8.230 nan 0.000 0.408 215 S N 1.499 117.201 115.700 0.003 0.000 2.556 215 S HA 0.808 5.278 4.470 -0.000 0.000 0.271 215 S C -1.585 173.000 174.600 -0.026 0.000 1.135 215 S CA -0.342 57.867 58.200 0.014 0.000 0.858 215 S CB 1.978 65.209 63.200 0.052 0.000 1.114 215 S HN 0.704 nan 8.310 nan 0.000 0.468 216 S N 2.099 117.754 115.700 -0.074 0.000 2.564 216 S HA 0.826 5.296 4.470 -0.000 0.000 0.274 216 S C -1.452 172.942 174.600 -0.343 0.000 1.124 216 S CA -0.664 57.382 58.200 -0.257 0.000 0.869 216 S CB 1.582 64.710 63.200 -0.120 0.000 1.105 216 S HN 0.823 nan 8.310 nan 0.000 0.472 217 R N 1.316 121.474 120.500 -0.570 0.000 2.594 217 R HA 0.541 4.881 4.340 -0.000 0.000 0.265 217 R C 0.039 176.298 176.300 -0.068 0.000 1.070 217 R CA 0.434 56.278 56.100 -0.427 0.000 0.909 217 R CB 1.163 30.962 30.300 -0.836 0.000 1.243 217 R HN 1.406 nan 8.270 nan 0.000 0.455 218 G N 2.710 111.532 108.800 0.035 0.000 2.645 218 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.239 218 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.239 218 G C -0.640 174.293 174.900 0.056 0.000 1.331 218 G CA -0.207 44.937 45.100 0.074 0.000 0.890 218 G HN 0.409 nan 8.290 nan 0.000 0.572 219 M N 1.688 121.251 119.600 -0.062 0.000 2.367 219 M HA 0.334 4.814 4.480 -0.000 0.000 0.339 219 M C 0.867 176.855 176.300 -0.519 0.000 1.177 219 M CA -0.917 54.216 55.300 -0.278 0.000 1.068 219 M CB 1.119 33.612 32.600 -0.179 0.000 1.602 219 M HN 0.923 nan 8.290 nan 0.000 0.457 220 N N 1.470 119.601 118.700 -0.950 0.000 2.328 220 N HA 0.296 5.036 4.740 -0.000 0.000 0.277 220 N C 0.770 176.008 175.510 -0.452 0.000 1.286 220 N CA -0.028 52.361 53.050 -1.102 0.000 0.949 220 N CB -0.177 37.484 38.487 -1.377 0.000 1.136 220 N HN 0.643 nan 8.380 nan 0.000 0.550 221 A N -1.444 121.191 122.820 -0.309 0.000 2.125 221 A HA -0.155 4.165 4.320 -0.000 0.000 0.219 221 A C 1.518 179.023 177.584 -0.133 0.000 1.156 221 A CA 1.202 53.154 52.037 -0.142 0.000 0.671 221 A CB -0.721 18.236 19.000 -0.070 0.000 0.794 221 A HN 0.742 nan 8.150 nan 0.000 0.459 222 Q N -1.811 117.884 119.800 -0.175 0.000 2.247 222 Q HA 0.340 4.680 4.340 -0.000 0.000 0.204 222 Q C 0.932 176.850 176.000 -0.136 0.000 0.872 222 Q CA 0.268 55.992 55.803 -0.132 0.000 0.951 222 Q CB 0.478 29.144 28.738 -0.119 0.000 1.099 222 Q HN 0.779 nan 8.270 nan 0.000 0.501 223 G N 0.832 109.532 108.800 -0.166 0.000 2.148 223 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.254 223 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.254 223 G C -0.043 174.763 174.900 -0.156 0.000 0.981 223 G CA -0.056 44.959 45.100 -0.143 0.000 0.670 223 G HN 0.208 nan 8.290 nan 0.000 0.528 224 Q N 0.305 119.980 119.800 -0.209 0.000 2.257 224 Q HA 0.494 4.834 4.340 -0.000 0.000 0.262 224 Q C -2.478 173.362 176.000 -0.266 0.000 0.997 224 Q CA -2.133 53.555 55.803 -0.191 0.000 0.873 224 Q CB 2.069 30.710 28.738 -0.162 0.000 1.312 224 Q HN 0.263 nan 8.270 nan 0.000 0.450 225 P HA -0.019 nan 4.420 nan 0.000 0.269 225 P C -0.639 176.587 177.300 -0.124 0.000 1.209 225 P CA -0.101 62.917 63.100 -0.136 0.000 0.776 225 P CB 0.372 32.053 31.700 -0.032 0.000 0.876 226 W N 2.483 123.760 121.300 -0.039 0.000 2.314 226 W HA 0.019 4.679 4.660 -0.000 0.000 0.339 226 W C 1.243 177.746 176.519 -0.026 0.000 1.293 226 W CA -0.007 57.320 57.345 -0.030 0.000 1.288 226 W CB -0.180 29.260 29.460 -0.033 0.000 1.186 226 W HN 0.058 nan 8.180 nan 0.000 0.566 227 R N 3.278 123.902 120.500 0.206 0.000 2.287 227 R HA 0.244 4.584 4.340 -0.000 0.000 0.327 227 R C -0.973 175.390 176.300 0.104 0.000 1.109 227 R CA -0.701 55.461 56.100 0.103 0.000 1.013 227 R CB -0.047 30.284 30.300 0.053 0.000 1.126 227 R HN 0.219 nan 8.270 nan 0.000 0.503 228 V N 2.881 122.840 119.914 0.074 0.000 2.364 228 V HA 0.400 4.520 4.120 -0.000 0.000 0.272 228 V C 0.563 176.671 176.094 0.022 0.000 1.036 228 V CA -0.834 61.495 62.300 0.048 0.000 0.880 228 V CB 1.203 33.044 31.823 0.030 0.000 0.991 228 V HN 0.689 nan 8.190 nan 0.000 0.460 229 A N 6.699 129.535 122.820 0.025 0.000 2.301 229 A HA 0.884 5.204 4.320 -0.000 0.000 0.312 229 A C -0.589 177.004 177.584 0.014 0.000 1.182 229 A CA -0.478 51.564 52.037 0.009 0.000 0.826 229 A CB 0.525 19.532 19.000 0.012 0.000 1.134 229 A HN 0.776 nan 8.150 nan 0.000 0.501 230 I N 1.185 121.747 120.570 -0.013 0.000 2.465 230 I HA 0.262 4.432 4.170 -0.000 0.000 0.291 230 I C -0.202 175.895 176.117 -0.034 0.000 1.014 230 I CA -0.671 60.625 61.300 -0.007 0.000 1.093 230 I CB 2.116 40.094 38.000 -0.036 0.000 1.267 230 I HN 0.659 nan 8.210 nan 0.000 0.431 231 Q N 5.589 125.410 119.800 0.035 0.000 2.296 231 Q HA 0.265 4.605 4.340 -0.000 0.000 0.262 231 Q C -0.961 175.013 176.000 -0.044 0.000 0.981 231 Q CA 0.430 56.248 55.803 0.025 0.000 0.905 231 Q CB 0.740 29.551 28.738 0.122 0.000 1.186 231 Q HN 0.355 nan 8.270 nan 0.000 0.399 232 K N 4.833 125.161 120.400 -0.120 0.000 2.323 232 K HA 0.455 4.775 4.320 -0.000 0.000 0.259 232 K C -2.178 174.220 176.600 -0.336 0.000 0.947 232 K CA -1.894 54.290 56.287 -0.171 0.000 0.819 232 K CB 1.300 33.739 32.500 -0.100 0.000 1.109 232 K HN 0.553 nan 8.250 nan 0.000 0.429 242 A N 4.259 127.009 122.820 -0.118 0.000 2.324 242 A HA 0.843 5.163 4.320 -0.000 0.000 0.330 242 A C -0.837 176.697 177.584 -0.084 0.000 1.165 242 A CA -0.512 51.451 52.037 -0.123 0.000 0.813 242 A CB 0.745 19.621 19.000 -0.208 0.000 1.197 242 A HN 0.632 nan 8.150 nan 0.000 0.484 243 I N 2.428 122.959 120.570 -0.065 0.000 2.433 243 I HA 0.485 4.655 4.170 -0.000 0.000 0.292 243 I C -0.235 175.848 176.117 -0.057 0.000 1.001 243 I CA -0.875 60.398 61.300 -0.046 0.000 1.119 243 I CB 1.964 39.945 38.000 -0.032 0.000 1.289 243 I HN 0.543 nan 8.210 nan 0.000 0.438 244 V N 1.230 121.109 119.914 -0.058 0.000 2.815 244 V HA 0.636 4.756 4.120 -0.000 0.000 0.314 244 V C -0.937 175.137 176.094 -0.033 0.000 1.064 244 V CA -0.635 61.615 62.300 -0.084 0.000 0.952 244 V CB 2.089 33.796 31.823 -0.193 0.000 1.020 244 V HN 0.691 nan 8.190 nan 0.000 0.439 245 D N 2.322 122.719 120.400 -0.006 0.000 2.414 245 D HA 0.494 5.134 4.640 -0.000 0.000 0.232 245 D C 0.097 176.448 176.300 0.085 0.000 1.070 245 D CA -0.543 53.481 54.000 0.041 0.000 0.839 245 D CB 1.323 42.142 40.800 0.032 0.000 1.079 245 D HN 0.750 nan 8.370 nan 0.000 0.521 246 I N 0.198 120.798 120.570 0.049 0.000 3.762 246 I HA 0.412 4.582 4.170 -0.000 0.000 0.333 246 I C -0.118 176.081 176.117 0.137 0.000 1.566 246 I CA -0.878 60.428 61.300 0.009 0.000 1.129 246 I CB -0.177 37.742 38.000 -0.134 0.000 1.218 246 I HN -0.043 nan 8.210 nan 0.000 0.456 247 N N 2.893 121.691 118.700 0.163 0.000 2.412 247 N HA 0.165 4.905 4.740 -0.000 0.000 0.258 247 N C 1.392 177.018 175.510 0.194 0.000 1.236 247 N CA 1.516 54.645 53.050 0.132 0.000 0.882 247 N CB 1.048 39.600 38.487 0.108 0.000 1.066 247 N HN 0.678 nan 8.380 nan 0.000 0.465 248 G N 0.916 109.750 108.800 0.057 0.000 2.184 248 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.264 248 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.264 248 G C -0.163 174.602 174.900 -0.224 0.000 0.975 248 G CA 0.526 45.594 45.100 -0.053 0.000 0.642 248 G HN 0.753 nan 8.290 nan 0.000 0.536 249 H N -0.830 118.241 119.070 0.003 0.000 2.864 249 H HA 0.678 5.234 4.556 -0.000 0.000 0.354 249 H C 0.591 175.888 175.328 -0.051 0.000 1.208 249 H CA 0.136 56.162 56.048 -0.035 0.000 1.191 249 H CB 1.631 31.322 29.762 -0.119 0.000 1.889 249 H HN 0.503 nan 8.280 nan 0.000 0.574 250 G N 0.138 108.984 108.800 0.077 0.000 2.452 250 G HA2 0.561 4.521 3.960 -0.000 0.000 0.324 250 G HA3 0.561 4.521 3.960 -0.000 0.000 0.324 250 G C -1.278 173.621 174.900 -0.001 0.000 1.214 250 G CA -0.470 44.651 45.100 0.035 0.000 0.947 250 G HN 0.562 nan 8.290 nan 0.000 0.478 251 I N 0.573 121.143 120.570 0.000 0.000 2.646 251 I HA 0.773 4.943 4.170 -0.000 0.000 0.299 251 I C -0.551 175.596 176.117 0.050 0.000 1.036 251 I CA -0.719 60.583 61.300 0.004 0.000 1.074 251 I CB 2.357 40.343 38.000 -0.024 0.000 1.258 251 I HN 0.553 nan 8.210 nan 0.000 0.430 252 S N 3.098 118.845 115.700 0.078 0.000 2.535 252 S HA 0.613 5.083 4.470 -0.000 0.000 0.272 252 S C -1.286 173.378 174.600 0.107 0.000 1.149 252 S CA -0.367 57.888 58.200 0.090 0.000 0.888 252 S CB 1.856 65.115 63.200 0.099 0.000 1.110 252 S HN 0.636 nan 8.310 nan 0.000 0.463 253 T N 2.484 117.095 114.554 0.095 0.000 2.841 253 T HA 0.560 4.910 4.350 -0.000 0.000 0.285 253 T C -0.845 173.901 174.700 0.078 0.000 0.991 253 T CA -0.524 61.634 62.100 0.096 0.000 0.966 253 T CB 1.593 70.521 68.868 0.100 0.000 0.962 253 T HN 0.440 nan 8.240 nan 0.000 0.438 254 S N 2.314 118.057 115.700 0.072 0.000 2.451 254 S HA 0.765 5.235 4.470 -0.000 0.000 0.301 254 S C 0.373 175.002 174.600 0.049 0.000 1.116 254 S CA 0.534 58.769 58.200 0.058 0.000 1.093 254 S CB 0.160 63.396 63.200 0.061 0.000 1.017 254 S HN 1.417 nan 8.310 nan 0.000 0.482 255 G N 2.465 111.291 108.800 0.043 0.000 2.730 255 G HA2 -0.011 3.949 3.960 -0.000 0.000 0.686 255 G HA3 -0.011 3.949 3.960 -0.000 0.000 0.686 255 G C -0.508 174.430 174.900 0.063 0.000 1.343 255 G CA -0.264 44.866 45.100 0.050 0.000 0.826 255 G HN 1.273 nan 8.290 nan 0.000 0.582 256 S N -0.244 115.505 115.700 0.081 0.000 2.779 256 S HA 0.515 4.985 4.470 -0.000 0.000 0.293 256 S C 0.623 175.296 174.600 0.122 0.000 1.150 256 S CA 0.343 58.597 58.200 0.091 0.000 1.057 256 S CB 0.814 64.049 63.200 0.059 0.000 1.021 256 S HN 1.613 nan 8.310 nan 0.000 0.485 257 Y N 5.699 125.989 120.300 -0.017 0.000 2.181 257 Y HA -0.025 4.525 4.550 -0.000 0.000 0.288 257 Y C 2.166 178.065 175.900 -0.000 0.000 1.146 257 Y CA 2.036 60.077 58.100 -0.099 0.000 1.164 257 Y CB -0.116 38.199 38.460 -0.242 0.000 0.982 257 Y HN 0.728 nan 8.280 nan 0.000 0.515 258 R N 0.282 120.704 120.500 -0.130 0.000 2.091 258 R HA -0.196 4.144 4.340 -0.000 0.000 0.238 258 R C 1.859 178.106 176.300 -0.088 0.000 1.136 258 R CA 1.954 57.963 56.100 -0.152 0.000 0.959 258 R CB -0.222 30.080 30.300 0.003 0.000 0.856 258 R HN 0.390 nan 8.270 nan 0.000 0.437 259 N N -0.660 118.027 118.700 -0.022 0.000 2.216 259 N HA -0.171 4.569 4.740 -0.000 0.000 0.183 259 N C 1.376 176.893 175.510 0.011 0.000 1.017 259 N CA 1.051 54.099 53.050 -0.004 0.000 0.861 259 N CB -0.436 38.057 38.487 0.010 0.000 0.986 259 N HN 0.293 nan 8.380 nan 0.000 0.428 260 Y N 0.090 120.356 120.300 -0.057 0.000 2.181 260 Y HA -0.273 4.277 4.550 -0.000 0.000 0.288 260 Y C 2.384 178.307 175.900 0.039 0.000 1.146 260 Y CA 1.431 59.541 58.100 0.018 0.000 1.164 260 Y CB -0.272 38.248 38.460 0.100 0.000 0.982 260 Y HN 0.045 nan 8.280 nan 0.000 0.515 261 Y N 1.039 121.314 120.300 -0.041 0.000 2.200 261 Y HA -0.200 4.350 4.550 -0.000 0.000 0.290 261 Y C 2.255 178.124 175.900 -0.052 0.000 1.137 261 Y CA 2.055 60.111 58.100 -0.073 0.000 1.163 261 Y CB -0.363 37.820 38.460 -0.461 0.000 0.988 261 Y HN 0.200 nan 8.280 nan 0.000 0.518 262 E N -0.208 119.938 120.200 -0.090 0.000 2.028 262 E HA -0.153 4.197 4.350 -0.000 0.000 0.191 262 E C 1.883 178.392 176.600 -0.151 0.000 0.988 262 E CA 1.468 57.787 56.400 -0.136 0.000 0.799 262 E CB -0.245 29.420 29.700 -0.058 0.000 0.755 262 E HN 0.442 nan 8.360 nan 0.000 0.447 263 L N 0.683 121.825 121.223 -0.135 0.000 2.599 263 L HA 0.009 4.349 4.340 -0.000 0.000 0.230 263 L C 0.277 177.027 176.870 -0.200 0.000 1.141 263 L CA -0.042 54.708 54.840 -0.150 0.000 0.877 263 L CB -0.209 41.767 42.059 -0.138 0.000 1.009 263 L HN 0.111 nan 8.230 nan 0.000 0.447 264 D N 0.945 121.214 120.400 -0.219 0.000 2.692 264 D HA -0.099 4.541 4.640 -0.000 0.000 0.233 264 D C 0.245 176.333 176.300 -0.353 0.000 1.172 264 D CA 1.068 54.940 54.000 -0.215 0.000 0.636 264 D CB -0.749 39.966 40.800 -0.142 0.000 1.028 264 D HN 0.586 nan 8.370 nan 0.000 0.419 265 G N -0.624 107.730 108.800 -0.744 0.000 2.345 265 G HA2 0.384 4.344 3.960 -0.000 0.000 0.285 265 G HA3 0.384 4.344 3.960 -0.000 0.000 0.285 265 G C -1.573 172.874 174.900 -0.754 0.000 1.297 265 G CA -0.434 44.200 45.100 -0.777 0.000 0.875 265 G HN 0.313 nan 8.290 nan 0.000 0.506 266 K N 0.016 120.222 120.400 -0.324 0.000 2.498 266 K HA 0.508 4.828 4.320 -0.000 0.000 0.254 266 K C 0.187 176.764 176.600 -0.039 0.000 0.933 266 K CA -0.873 55.359 56.287 -0.091 0.000 0.806 266 K CB 2.112 34.693 32.500 0.135 0.000 1.301 266 K HN 0.572 nan 8.250 nan 0.000 0.432 267 R N 1.121 121.608 120.500 -0.022 0.000 2.817 267 R HA 0.036 4.376 4.340 -0.000 0.000 0.264 267 R C -0.341 175.963 176.300 0.007 0.000 1.009 267 R CA -0.024 56.069 56.100 -0.012 0.000 1.133 267 R CB 0.474 30.750 30.300 -0.040 0.000 1.013 267 R HN 0.318 nan 8.270 nan 0.000 0.453 268 V N 2.751 122.681 119.914 0.028 0.000 2.493 268 V HA -0.082 4.037 4.120 -0.000 0.000 0.292 268 V C 0.952 177.034 176.094 -0.020 0.000 1.016 268 V CA 0.493 62.806 62.300 0.022 0.000 1.097 268 V CB 1.093 32.966 31.823 0.083 0.000 0.947 268 V HN 0.717 nan 8.190 nan 0.000 0.479 269 S N 4.198 119.853 115.700 -0.075 0.000 2.549 269 S HA 0.046 4.516 4.470 -0.000 0.000 0.286 269 S C 1.088 175.502 174.600 -0.311 0.000 1.314 269 S CA -0.173 57.956 58.200 -0.118 0.000 1.062 269 S CB 0.063 63.212 63.200 -0.085 0.000 0.865 269 S HN 0.829 nan 8.310 nan 0.000 0.498 270 H N 2.379 121.102 119.070 -0.579 0.000 2.539 270 H HA 0.161 4.717 4.556 -0.000 0.000 0.267 270 H C 0.060 175.176 175.328 -0.354 0.000 0.982 270 H CA -0.041 55.474 56.048 -0.887 0.000 1.146 270 H CB 0.440 29.802 29.762 -0.666 0.000 1.382 270 H HN 0.260 nan 8.280 nan 0.000 0.577 271 V N 2.743 122.596 119.914 -0.102 0.000 2.432 271 V HA 0.098 4.218 4.120 -0.000 0.000 0.271 271 V C 0.315 176.384 176.094 -0.041 0.000 1.046 271 V CA 0.019 62.302 62.300 -0.028 0.000 0.945 271 V CB 1.239 33.062 31.823 -0.001 0.000 0.992 271 V HN 0.168 nan 8.190 nan 0.000 0.471 272 I N 3.871 124.439 120.570 -0.003 0.000 2.377 272 I HA 0.324 4.494 4.170 -0.000 0.000 0.293 272 I C -0.051 176.068 176.117 0.003 0.000 0.987 272 I CA -0.490 60.798 61.300 -0.020 0.000 1.185 272 I CB 1.743 39.756 38.000 0.022 0.000 1.341 272 I HN 0.507 nan 8.210 nan 0.000 0.455 273 D N 8.480 128.874 120.400 -0.009 0.000 2.325 273 D HA 0.175 4.815 4.640 -0.000 0.000 0.251 273 D C -1.806 174.513 176.300 0.031 0.000 1.196 273 D CA -2.103 51.909 54.000 0.019 0.000 0.866 273 D CB 1.690 42.500 40.800 0.017 0.000 1.101 273 D HN 0.173 nan 8.370 nan 0.000 0.476 274 P HA -0.101 nan 4.420 nan 0.000 0.222 274 P C 1.207 178.532 177.300 0.042 0.000 1.147 274 P CA 0.786 63.911 63.100 0.042 0.000 0.790 274 P CB 0.391 32.112 31.700 0.034 0.000 0.780 275 Q N -0.984 118.838 119.800 0.037 0.000 2.123 275 Q HA -0.064 4.276 4.340 -0.000 0.000 0.199 275 Q C 1.916 177.940 176.000 0.039 0.000 0.966 275 Q CA 2.121 57.945 55.803 0.035 0.000 0.845 275 Q CB -0.825 27.933 28.738 0.032 0.000 0.907 275 Q HN 0.395 nan 8.270 nan 0.000 0.439 276 T N -4.787 109.792 114.554 0.042 0.000 3.023 276 T HA 0.288 4.638 4.350 -0.000 0.000 0.249 276 T C 1.399 176.148 174.700 0.081 0.000 1.050 276 T CA 0.791 62.921 62.100 0.049 0.000 1.088 276 T CB 0.497 69.385 68.868 0.032 0.000 0.946 276 T HN 0.339 nan 8.240 nan 0.000 0.480 277 G N 1.858 110.711 108.800 0.089 0.000 2.143 277 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.249 277 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.249 277 G C 0.070 175.120 174.900 0.251 0.000 0.981 277 G CA 0.067 45.262 45.100 0.158 0.000 0.665 277 G HN 0.723 nan 8.290 nan 0.000 0.528 278 R N -0.022 120.528 120.500 0.082 0.000 2.832 278 R HA 0.542 4.882 4.340 -0.000 0.000 0.271 278 R C -2.713 173.399 176.300 -0.313 0.000 0.996 278 R CA -2.246 53.788 56.100 -0.112 0.000 0.977 278 R CB 1.361 31.655 30.300 -0.009 0.000 1.168 278 R HN -0.005 nan 8.270 nan 0.000 0.482 279 P HA -0.026 nan 4.420 nan 0.000 0.267 279 P C -0.248 176.916 177.300 -0.225 0.000 1.200 279 P CA 0.083 62.971 63.100 -0.353 0.000 0.772 279 P CB 0.267 31.738 31.700 -0.383 0.000 0.855 280 I N -1.104 119.370 120.570 -0.159 0.000 2.692 280 I HA 0.260 4.430 4.170 -0.000 0.000 0.284 280 I C 0.345 176.319 176.117 -0.238 0.000 1.159 280 I CA 0.074 61.263 61.300 -0.185 0.000 1.423 280 I CB 0.342 38.320 38.000 -0.036 0.000 1.380 280 I HN 0.167 nan 8.210 nan 0.000 0.580 281 E N 4.708 124.651 120.200 -0.428 0.000 3.037 281 E HA 0.367 4.717 4.350 -0.000 0.000 0.220 281 E C -1.325 175.054 176.600 -0.369 0.000 1.142 281 E CA -0.344 55.880 56.400 -0.293 0.000 0.888 281 E CB 0.223 29.808 29.700 -0.192 0.000 1.329 281 E HN 0.579 nan 8.360 nan 0.000 0.409 282 H N 0.821 119.893 119.070 0.004 0.000 2.731 282 H HA 0.358 4.914 4.556 -0.000 0.000 0.368 282 H C 0.520 175.851 175.328 0.005 0.000 1.168 282 H CA -0.809 55.238 56.048 -0.002 0.000 1.181 282 H CB 1.632 31.386 29.762 -0.013 0.000 1.743 282 H HN 0.277 nan 8.280 nan 0.000 0.547 283 N N 0.821 119.603 118.700 0.137 0.000 2.494 283 N HA -0.066 4.674 4.740 -0.000 0.000 0.182 283 N C 0.447 175.968 175.510 0.018 0.000 1.076 283 N CA 0.129 53.211 53.050 0.054 0.000 0.908 283 N CB 0.425 38.923 38.487 0.020 0.000 0.967 283 N HN 0.292 nan 8.380 nan 0.000 0.449 284 L N 1.622 122.864 121.223 0.033 0.000 2.500 284 L HA 0.022 4.362 4.340 -0.000 0.000 0.272 284 L C 1.089 177.958 176.870 -0.001 0.000 1.149 284 L CA 0.302 55.132 54.840 -0.017 0.000 0.897 284 L CB 0.842 42.869 42.059 -0.054 0.000 1.178 284 L HN -0.217 nan 8.230 nan 0.000 0.473 285 V N 2.952 122.842 119.914 -0.040 0.000 2.492 285 V HA 0.179 4.299 4.120 -0.000 0.000 0.241 285 V C 0.888 176.977 176.094 -0.008 0.000 1.041 285 V CA 1.036 63.310 62.300 -0.043 0.000 1.057 285 V CB 0.195 31.948 31.823 -0.116 0.000 0.711 285 V HN 0.813 nan 8.190 nan 0.000 0.468 286 S N -1.142 114.528 115.700 -0.049 0.000 2.536 286 S HA 0.682 5.152 4.470 -0.000 0.000 0.271 286 S C -1.458 173.091 174.600 -0.084 0.000 1.134 286 S CA -0.409 57.768 58.200 -0.037 0.000 0.897 286 S CB 2.056 65.245 63.200 -0.019 0.000 1.094 286 S HN -0.048 nan 8.310 nan 0.000 0.473 287 V N 3.493 123.391 119.914 -0.027 0.000 2.577 287 V HA 0.558 4.678 4.120 -0.000 0.000 0.303 287 V C -0.475 175.646 176.094 0.044 0.000 1.042 287 V CA -0.509 61.779 62.300 -0.021 0.000 0.872 287 V CB 2.016 33.853 31.823 0.022 0.000 0.998 287 V HN 0.932 nan 8.190 nan 0.000 0.423 288 T N 4.451 119.040 114.554 0.058 0.000 2.779 288 T HA 0.653 5.003 4.350 -0.000 0.000 0.280 288 T C -0.515 174.296 174.700 0.185 0.000 0.987 288 T CA -0.411 61.782 62.100 0.157 0.000 0.966 288 T CB 1.624 70.652 68.868 0.267 0.000 0.933 288 T HN 0.343 nan 8.240 nan 0.000 0.442 289 V N 4.822 124.850 119.914 0.190 0.000 2.487 289 V HA 0.503 4.623 4.120 -0.000 0.000 0.298 289 V C -0.273 175.885 176.094 0.106 0.000 1.028 289 V CA -0.872 61.528 62.300 0.167 0.000 0.860 289 V CB 1.651 33.562 31.823 0.146 0.000 0.991 289 V HN 0.810 nan 8.190 nan 0.000 0.427 290 I N 4.203 124.790 120.570 0.027 0.000 2.336 290 I HA 0.795 4.965 4.170 -0.000 0.000 0.292 290 I C 0.356 176.368 176.117 -0.174 0.000 0.991 290 I CA -0.087 61.076 61.300 -0.228 0.000 1.227 290 I CB 1.566 39.123 38.000 -0.739 0.000 1.366 290 I HN 0.750 nan 8.210 nan 0.000 0.466 291 A N 7.319 130.091 122.820 -0.080 0.000 2.569 291 A HA 0.722 5.042 4.320 -0.000 0.000 0.290 291 A C -2.367 175.286 177.584 0.116 0.000 1.136 291 A CA -1.409 50.642 52.037 0.023 0.000 0.710 291 A CB 1.275 20.303 19.000 0.046 0.000 1.303 291 A HN 0.433 nan 8.150 nan 0.000 0.413 292 P HA -0.082 nan 4.420 nan 0.000 0.216 292 P C 0.719 178.025 177.300 0.010 0.000 1.153 292 P CA 2.339 65.458 63.100 0.033 0.000 0.858 292 P CB -0.022 31.699 31.700 0.034 0.000 0.789 293 T N -5.592 108.995 114.554 0.056 0.000 2.908 293 T HA 0.697 5.047 4.350 -0.000 0.000 0.290 293 T C 1.014 175.762 174.700 0.080 0.000 1.034 293 T CA -0.407 61.730 62.100 0.061 0.000 1.010 293 T CB 1.979 70.892 68.868 0.075 0.000 1.068 293 T HN -0.052 nan 8.240 nan 0.000 0.481 294 A N 1.246 124.109 122.820 0.070 0.000 1.969 294 A HA 0.104 4.424 4.320 -0.000 0.000 0.218 294 A C 2.103 179.750 177.584 0.106 0.000 1.169 294 A CA 1.153 53.236 52.037 0.077 0.000 0.635 294 A CB -0.961 18.072 19.000 0.056 0.000 0.810 294 A HN 0.935 nan 8.150 nan 0.000 0.445 295 L N -0.434 120.861 121.223 0.119 0.000 2.042 295 L HA -0.218 4.122 4.340 -0.000 0.000 0.210 295 L C 2.346 179.308 176.870 0.153 0.000 1.076 295 L CA 2.216 57.141 54.840 0.143 0.000 0.749 295 L CB -0.302 41.856 42.059 0.164 0.000 0.893 295 L HN 0.483 nan 8.230 nan 0.000 0.432 296 E N -0.338 119.967 120.200 0.176 0.000 2.107 296 E HA -0.177 4.173 4.350 -0.000 0.000 0.191 296 E C 2.198 179.002 176.600 0.339 0.000 0.982 296 E CA 0.934 57.496 56.400 0.270 0.000 0.809 296 E CB -0.188 29.679 29.700 0.278 0.000 0.756 296 E HN 0.678 nan 8.360 nan 0.000 0.459 297 A N 1.496 124.447 122.820 0.219 0.000 1.902 297 A HA -0.251 4.069 4.320 -0.000 0.000 0.217 297 A C 1.939 179.643 177.584 0.200 0.000 1.181 297 A CA 1.877 54.030 52.037 0.193 0.000 0.623 297 A CB -0.457 18.611 19.000 0.114 0.000 0.818 297 A HN 0.165 nan 8.150 nan 0.000 0.443 298 D N -0.624 119.871 120.400 0.160 0.000 2.117 298 D HA -0.047 4.593 4.640 -0.000 0.000 0.197 298 D C 2.028 178.404 176.300 0.126 0.000 0.987 298 D CA 1.594 55.673 54.000 0.131 0.000 0.829 298 D CB -0.498 40.370 40.800 0.113 0.000 0.961 298 D HN 0.312 nan 8.370 nan 0.000 0.460 299 G N -0.797 108.079 108.800 0.127 0.000 2.404 299 G HA2 -0.239 3.721 3.960 -0.000 0.000 0.215 299 G HA3 -0.239 3.721 3.960 -0.000 0.000 0.215 299 G C 1.537 176.444 174.900 0.011 0.000 1.174 299 G CA 0.462 45.587 45.100 0.041 0.000 0.780 299 G HN 0.308 nan 8.290 nan 0.000 0.537 300 W N 1.142 122.475 121.300 0.055 0.000 2.388 300 W HA 0.062 4.722 4.660 -0.000 0.000 0.294 300 W C 2.284 178.832 176.519 0.048 0.000 1.212 300 W CA 0.790 58.166 57.345 0.053 0.000 1.271 300 W CB -0.011 29.485 29.460 0.061 0.000 1.126 300 W HN 0.117 nan 8.180 nan 0.000 0.535 301 D N -0.498 120.062 120.400 0.265 0.000 2.204 301 D HA -0.230 4.409 4.640 -0.000 0.000 0.189 301 D C 2.018 178.387 176.300 0.115 0.000 1.006 301 D CA 2.666 56.766 54.000 0.166 0.000 0.855 301 D CB -0.924 39.953 40.800 0.128 0.000 0.946 301 D HN 0.054 nan 8.370 nan 0.000 0.448 302 T N -0.453 114.150 114.554 0.081 0.000 2.737 302 T HA -0.032 4.318 4.350 -0.000 0.000 0.265 302 T C 1.945 176.663 174.700 0.030 0.000 1.038 302 T CA 1.421 63.550 62.100 0.048 0.000 1.144 302 T CB -0.739 68.150 68.868 0.034 0.000 0.866 302 T HN 0.285 nan 8.240 nan 0.000 0.434 303 G N 1.659 110.457 108.800 -0.004 0.000 2.476 303 G HA2 -0.191 3.769 3.960 -0.000 0.000 0.218 303 G HA3 -0.191 3.769 3.960 -0.000 0.000 0.218 303 G C 1.469 176.386 174.900 0.029 0.000 1.164 303 G CA 0.701 45.774 45.100 -0.046 0.000 0.768 303 G HN 0.449 nan 8.290 nan 0.000 0.560 304 L N -0.167 121.121 121.223 0.109 0.000 2.156 304 L HA 0.002 4.341 4.340 -0.000 0.000 0.208 304 L C 3.068 179.952 176.870 0.024 0.000 1.095 304 L CA 0.467 55.372 54.840 0.108 0.000 0.770 304 L CB -0.307 41.856 42.059 0.173 0.000 0.914 304 L HN 0.154 nan 8.230 nan 0.000 0.439 305 M N -0.701 118.921 119.600 0.036 0.000 2.159 305 M HA -0.139 4.340 4.480 -0.000 0.000 0.263 305 M C 2.356 178.685 176.300 0.048 0.000 1.063 305 M CA 1.402 56.720 55.300 0.029 0.000 1.110 305 M CB -0.751 31.881 32.600 0.053 0.000 1.374 305 M HN 0.105 nan 8.290 nan 0.000 0.411 306 V N 0.384 120.329 119.914 0.052 0.000 2.427 306 V HA -0.221 3.898 4.120 -0.000 0.000 0.248 306 V C 2.435 178.565 176.094 0.060 0.000 1.051 306 V CA 1.233 63.587 62.300 0.091 0.000 1.048 306 V CB -0.597 31.257 31.823 0.051 0.000 0.666 306 V HN 0.395 nan 8.190 nan 0.000 0.456 307 L N -0.188 121.013 121.223 -0.038 0.000 2.201 307 L HA 0.224 4.564 4.340 -0.000 0.000 0.212 307 L C 1.279 177.985 176.870 -0.273 0.000 1.105 307 L CA 0.987 55.776 54.840 -0.085 0.000 0.775 307 L CB -0.778 41.257 42.059 -0.040 0.000 0.913 307 L HN 0.578 nan 8.230 nan 0.000 0.440 308 G N -1.058 107.440 108.800 -0.503 0.000 2.746 308 G HA2 -0.250 3.710 3.960 -0.000 0.000 0.685 308 G HA3 -0.250 3.710 3.960 -0.000 0.000 0.685 308 G C 0.389 175.082 174.900 -0.345 0.000 1.350 308 G CA -0.291 44.362 45.100 -0.744 0.000 0.837 308 G HN 0.018 nan 8.290 nan 0.000 0.564 309 T N 0.636 115.021 114.554 -0.282 0.000 2.635 309 T HA -0.182 4.168 4.350 -0.000 0.000 0.267 309 T C 2.438 176.988 174.700 -0.250 0.000 1.040 309 T CA 2.268 64.229 62.100 -0.231 0.000 1.156 309 T CB -0.252 68.502 68.868 -0.190 0.000 0.863 309 T HN 0.580 nan 8.240 nan 0.000 0.430 310 Q N 0.973 120.650 119.800 -0.205 0.000 2.016 310 Q HA 0.014 4.354 4.340 -0.000 0.000 0.200 310 Q C 2.422 178.325 176.000 -0.161 0.000 0.978 310 Q CA 1.274 56.967 55.803 -0.184 0.000 0.833 310 Q CB -0.294 28.368 28.738 -0.126 0.000 0.895 310 Q HN 0.512 nan 8.270 nan 0.000 0.427 311 K N 0.461 120.785 120.400 -0.127 0.000 2.148 311 K HA -0.031 4.289 4.320 -0.000 0.000 0.204 311 K C 2.091 178.651 176.600 -0.068 0.000 1.050 311 K CA 0.909 57.148 56.287 -0.081 0.000 0.942 311 K CB -0.077 32.389 32.500 -0.057 0.000 0.724 311 K HN 0.128 nan 8.250 nan 0.000 0.446 312 A N 1.403 124.164 122.820 -0.099 0.000 1.877 312 A HA -0.223 4.096 4.320 -0.000 0.000 0.216 312 A C 2.021 179.555 177.584 -0.082 0.000 1.186 312 A CA 1.319 53.325 52.037 -0.052 0.000 0.620 312 A CB -0.441 18.517 19.000 -0.070 0.000 0.822 312 A HN 0.285 nan 8.150 nan 0.000 0.443 313 Q N -0.977 118.675 119.800 -0.246 0.000 2.124 313 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 313 Q C 2.104 177.998 176.000 -0.176 0.000 0.977 313 Q CA 1.533 57.087 55.803 -0.415 0.000 0.850 313 Q CB -0.114 28.147 28.738 -0.795 0.000 0.901 313 Q HN 0.841 nan 8.270 nan 0.000 0.429 314 E N -0.056 120.074 120.200 -0.117 0.000 2.072 314 E HA -0.154 4.196 4.350 -0.000 0.000 0.191 314 E C 1.911 178.521 176.600 0.016 0.000 0.985 314 E CA 1.038 57.413 56.400 -0.042 0.000 0.801 314 E CB 0.264 29.941 29.700 -0.040 0.000 0.750 314 E HN 0.138 nan 8.360 nan 0.000 0.452 315 V N 0.489 120.428 119.914 0.042 0.000 2.453 315 V HA -0.194 3.926 4.120 -0.000 0.000 0.247 315 V C 2.371 178.513 176.094 0.080 0.000 1.048 315 V CA 1.067 63.426 62.300 0.099 0.000 1.049 315 V CB -0.087 31.849 31.823 0.187 0.000 0.672 315 V HN 0.179 nan 8.190 nan 0.000 0.457 316 V N -0.082 119.875 119.914 0.071 0.000 2.343 316 V HA -0.256 3.864 4.120 -0.000 0.000 0.247 316 V C 2.614 178.768 176.094 0.099 0.000 1.051 316 V CA 2.073 64.416 62.300 0.072 0.000 1.036 316 V CB -0.725 31.212 31.823 0.191 0.000 0.654 316 V HN 0.458 nan 8.190 nan 0.000 0.451 317 R N -0.594 119.982 120.500 0.127 0.000 2.075 317 R HA -0.130 4.210 4.340 -0.000 0.000 0.232 317 R C 2.563 178.906 176.300 0.071 0.000 1.126 317 R CA 1.560 57.732 56.100 0.120 0.000 0.963 317 R CB -0.316 30.054 30.300 0.116 0.000 0.858 317 R HN 0.397 nan 8.270 nan 0.000 0.435 318 R N 0.989 121.524 120.500 0.058 0.000 2.075 318 R HA -0.110 4.230 4.340 -0.000 0.000 0.232 318 R C 1.297 177.623 176.300 0.045 0.000 1.126 318 R CA 1.488 57.618 56.100 0.050 0.000 0.963 318 R CB 0.152 30.484 30.300 0.054 0.000 0.858 318 R HN 0.244 nan 8.270 nan 0.000 0.435 319 E N -1.058 119.163 120.200 0.036 0.000 2.479 319 E HA 0.094 4.444 4.350 -0.000 0.000 0.193 319 E C 0.156 176.746 176.600 -0.016 0.000 1.049 319 E CA 0.345 56.754 56.400 0.015 0.000 0.870 319 E CB 0.786 30.491 29.700 0.009 0.000 0.944 319 E HN 0.562 nan 8.360 nan 0.000 0.492 320 G N 2.259 111.059 108.800 0.000 0.000 2.351 320 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.297 320 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.297 320 G C -0.097 174.792 174.900 -0.017 0.000 1.054 320 G CA 0.131 45.236 45.100 0.009 0.000 1.123 320 G HN 0.108 nan 8.290 nan 0.000 0.512 321 L N -0.371 120.823 121.223 -0.049 0.000 2.375 321 L HA 0.780 5.120 4.340 -0.000 0.000 0.268 321 L C 0.944 177.823 176.870 0.015 0.000 1.058 321 L CA -0.679 54.101 54.840 -0.101 0.000 0.803 321 L CB 1.799 43.674 42.059 -0.307 0.000 1.212 321 L HN 0.365 nan 8.230 nan 0.000 0.451 322 A N 2.282 125.129 122.820 0.044 0.000 2.478 322 A HA 0.625 4.944 4.320 -0.000 0.000 0.327 322 A C -0.612 177.163 177.584 0.318 0.000 1.431 322 A CA -0.318 51.835 52.037 0.193 0.000 1.014 322 A CB -0.117 18.956 19.000 0.123 0.000 1.143 322 A HN 0.374 nan 8.150 nan 0.000 0.532 323 V N 2.820 122.891 119.914 0.261 0.000 2.638 323 V HA 0.538 4.658 4.120 -0.000 0.000 0.306 323 V C -1.031 174.913 176.094 -0.249 0.000 1.052 323 V CA -0.527 61.836 62.300 0.105 0.000 0.885 323 V CB 1.764 33.672 31.823 0.141 0.000 0.999 323 V HN 0.765 nan 8.190 nan 0.000 0.424 324 F N 6.849 126.384 119.950 -0.692 0.000 2.507 324 F HA 0.878 5.405 4.527 -0.000 0.000 0.325 324 F C -0.383 175.245 175.800 -0.287 0.000 1.116 324 F CA -0.885 56.643 58.000 -0.788 0.000 0.930 324 F CB 1.756 39.892 39.000 -1.440 0.000 1.146 324 F HN 0.575 nan 8.300 nan 0.000 0.447 325 M N 6.606 125.666 119.600 -0.899 0.000 2.446 325 M HA 0.654 5.134 4.480 -0.000 0.000 0.294 325 M C -2.065 173.789 176.300 -0.744 0.000 1.158 325 M CA -0.744 54.171 55.300 -0.641 0.000 0.899 325 M CB 2.613 35.094 32.600 -0.200 0.000 1.687 325 M HN 0.451 nan 8.290 nan 0.000 0.455 326 I N 4.895 125.154 120.570 -0.519 0.000 2.378 326 I HA 0.553 4.723 4.170 -0.000 0.000 0.291 326 I C -0.357 175.672 176.117 -0.146 0.000 0.992 326 I CA -0.761 60.334 61.300 -0.343 0.000 1.154 326 I CB 1.993 39.784 38.000 -0.347 0.000 1.315 326 I HN 0.778 nan 8.210 nan 0.000 0.448 327 M N 4.136 123.706 119.600 -0.049 0.000 2.591 327 M HA 0.575 5.055 4.480 -0.000 0.000 0.306 327 M C -0.986 175.363 176.300 0.082 0.000 1.190 327 M CA -1.011 54.288 55.300 -0.002 0.000 0.889 327 M CB 1.792 34.363 32.600 -0.049 0.000 1.728 327 M HN 0.297 nan 8.290 nan 0.000 0.458 328 K N 1.871 122.272 120.400 0.001 0.000 2.412 328 K HA 0.209 4.529 4.320 -0.000 0.000 0.281 328 K C -0.957 175.576 176.600 -0.112 0.000 1.027 328 K CA 0.383 56.596 56.287 -0.123 0.000 0.989 328 K CB 0.487 32.903 32.500 -0.140 0.000 0.935 328 K HN 0.805 nan 8.250 nan 0.000 0.475 329 E N 2.033 122.128 120.200 -0.175 0.000 2.460 329 E HA 0.313 4.663 4.350 -0.000 0.000 0.249 329 E C 0.260 176.788 176.600 -0.120 0.000 0.962 329 E CA 0.222 56.559 56.400 -0.104 0.000 0.787 329 E CB 0.472 30.139 29.700 -0.055 0.000 1.341 329 E HN 0.790 nan 8.360 nan 0.000 0.407 330 G N 3.916 112.663 108.800 -0.089 0.000 2.620 330 G HA2 -0.404 3.556 3.960 -0.000 0.000 0.315 330 G HA3 -0.404 3.556 3.960 -0.000 0.000 0.315 330 G C 0.793 175.632 174.900 -0.101 0.000 1.179 330 G CA 0.589 45.646 45.100 -0.071 0.000 0.971 330 G HN 0.554 nan 8.290 nan 0.000 0.544 331 E N 1.534 121.677 120.200 -0.095 0.000 2.476 331 E HA 0.340 4.690 4.350 -0.000 0.000 0.199 331 E C 1.401 177.896 176.600 -0.175 0.000 1.021 331 E CA 0.459 56.800 56.400 -0.098 0.000 0.907 331 E CB 0.877 30.559 29.700 -0.031 0.000 0.974 331 E HN 0.627 nan 8.360 nan 0.000 0.489 332 G N 0.395 109.065 108.800 -0.216 0.000 3.008 332 G HA2 0.581 4.541 3.960 -0.000 0.000 0.181 332 G HA3 0.581 4.541 3.960 -0.000 0.000 0.181 332 G C -0.765 173.799 174.900 -0.559 0.000 1.309 332 G CA -0.473 44.489 45.100 -0.230 0.000 1.009 332 G HN -0.028 nan 8.290 nan 0.000 0.584 333 F N -1.243 118.739 119.950 0.054 0.000 2.629 333 F HA 0.666 5.193 4.527 -0.000 0.000 0.316 333 F C 0.136 175.918 175.800 -0.029 0.000 1.081 333 F CA -0.799 57.202 58.000 0.001 0.000 0.954 333 F CB 2.791 41.789 39.000 -0.003 0.000 1.337 333 F HN 0.287 nan 8.300 nan 0.000 0.474 334 K N 0.371 120.860 120.400 0.149 0.000 2.426 334 K HA 0.691 5.011 4.320 -0.000 0.000 0.251 334 K C -1.323 175.288 176.600 0.017 0.000 0.941 334 K CA -0.619 55.708 56.287 0.066 0.000 0.808 334 K CB 2.167 34.690 32.500 0.038 0.000 1.265 334 K HN 0.802 nan 8.250 nan 0.000 0.432 335 T N -1.084 113.483 114.554 0.022 0.000 2.885 335 T HA 0.594 4.944 4.350 -0.000 0.000 0.285 335 T C -1.319 173.438 174.700 0.095 0.000 1.019 335 T CA -0.763 61.322 62.100 -0.025 0.000 1.010 335 T CB 1.072 69.992 68.868 0.086 0.000 1.022 335 T HN 0.667 nan 8.240 nan 0.000 0.466 336 W N 4.917 126.091 121.300 -0.210 0.000 3.042 336 W HA 0.628 5.288 4.660 -0.000 0.000 0.337 336 W C -1.505 174.960 176.519 -0.091 0.000 1.086 336 W CA -1.191 56.086 57.345 -0.113 0.000 1.236 336 W CB 1.793 31.177 29.460 -0.128 0.000 1.381 336 W HN 0.978 nan 8.180 nan 0.000 0.472 337 M N 4.715 123.948 119.600 -0.613 0.000 2.326 337 M HA 0.619 5.099 4.480 -0.000 0.000 0.306 337 M C -0.102 175.527 176.300 -1.120 0.000 1.054 337 M CA -0.804 54.091 55.300 -0.676 0.000 0.922 337 M CB 1.806 34.279 32.600 -0.213 0.000 1.632 337 M HN 0.349 nan 8.290 nan 0.000 0.436 338 S N 2.019 117.087 115.700 -1.053 0.000 2.573 338 S HA 0.305 4.775 4.470 -0.000 0.000 0.277 338 S C -1.824 172.630 174.600 -0.245 0.000 1.346 338 S CA -0.777 57.015 58.200 -0.681 0.000 1.034 338 S CB -0.092 62.963 63.200 -0.242 0.000 0.879 338 S HN 0.688 nan 8.310 nan 0.000 0.528 339 P HA -0.169 nan 4.420 nan 0.000 0.216 339 P C 1.220 178.509 177.300 -0.018 0.000 1.150 339 P CA 1.416 64.478 63.100 -0.063 0.000 0.843 339 P CB -0.040 31.640 31.700 -0.033 0.000 0.787 340 Q N -1.561 118.251 119.800 0.019 0.000 2.170 340 Q HA -0.113 4.227 4.340 -0.000 0.000 0.203 340 Q C 2.007 178.107 176.000 0.167 0.000 0.976 340 Q CA 1.189 57.031 55.803 0.064 0.000 0.858 340 Q CB -1.096 27.698 28.738 0.092 0.000 0.907 340 Q HN 0.234 nan 8.270 nan 0.000 0.433 341 F N 1.042 121.011 119.950 0.032 0.000 2.186 341 F HA -0.114 4.413 4.527 -0.000 0.000 0.299 341 F C 1.598 177.432 175.800 0.057 0.000 1.090 341 F CA 1.201 59.249 58.000 0.080 0.000 1.307 341 F CB 0.153 39.137 39.000 -0.027 0.000 1.019 341 F HN -0.085 nan 8.300 nan 0.000 0.489 342 K N -0.502 119.983 120.400 0.143 0.000 2.152 342 K HA -0.178 4.142 4.320 -0.000 0.000 0.206 342 K C 1.931 178.481 176.600 -0.083 0.000 1.048 342 K CA 1.889 58.192 56.287 0.027 0.000 0.933 342 K CB -0.654 31.835 32.500 -0.019 0.000 0.721 342 K HN 0.419 nan 8.250 nan 0.000 0.447 343 T N -1.416 113.044 114.554 -0.158 0.000 3.007 343 T HA -0.086 4.264 4.350 -0.000 0.000 0.270 343 T C 1.462 175.886 174.700 -0.460 0.000 1.107 343 T CA 0.806 62.713 62.100 -0.322 0.000 1.118 343 T CB -0.248 68.358 68.868 -0.437 0.000 0.889 343 T HN 0.038 nan 8.240 nan 0.000 0.506 344 F N 0.949 120.721 119.950 -0.297 0.000 2.754 344 F HA 0.460 4.987 4.527 -0.000 0.000 0.297 344 F C 1.000 176.624 175.800 -0.293 0.000 1.122 344 F CA -0.757 57.034 58.000 -0.348 0.000 1.400 344 F CB -0.244 38.440 39.000 -0.526 0.000 1.117 344 F HN 0.067 nan 8.300 nan 0.000 0.587 345 L N 0.814 121.971 121.223 -0.111 0.000 2.483 345 L HA 0.093 4.433 4.340 -0.000 0.000 0.276 345 L C -0.056 176.766 176.870 -0.079 0.000 1.213 345 L CA -0.362 54.422 54.840 -0.093 0.000 0.843 345 L CB 0.393 42.409 42.059 -0.073 0.000 1.107 345 L HN -0.290 nan 8.230 nan 0.000 0.487 346 V N 2.485 122.361 119.914 -0.064 0.000 2.394 346 V HA 0.172 4.292 4.120 -0.000 0.000 0.282 346 V C 0.568 176.630 176.094 -0.053 0.000 1.031 346 V CA -0.115 62.152 62.300 -0.056 0.000 0.881 346 V CB 1.349 33.145 31.823 -0.045 0.000 0.982 346 V HN 0.926 nan 8.190 nan 0.000 0.451 347 S N 2.477 118.145 115.700 -0.053 0.000 2.339 347 S HA 0.081 4.551 4.470 -0.000 0.000 0.213 347 S C 0.541 175.115 174.600 -0.042 0.000 1.033 347 S CA 0.778 58.950 58.200 -0.048 0.000 0.950 347 S CB -0.139 63.032 63.200 -0.048 0.000 0.893 347 S HN 1.140 nan 8.310 nan 0.000 0.492 348 D N 0.000 120.375 120.400 -0.042 0.000 6.856 348 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 348 D CA 0.000 53.977 54.000 -0.039 0.000 0.868 348 D CB 0.000 40.777 40.800 -0.038 0.000 0.688 348 D HN 0.000 nan 8.370 nan 0.000 0.683