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 2x1d_1_B DATA FIRST_RESID 1 DATA SEQUENCE MLHILCQGTP FEIGYEHGSA AKAVIARSID FAVDLIRGKT KKTDEELKQV DATA SEQUENCE LSQLGRVIEE RWPKYYEEIR GIAKGAERDV SEIVMLNTRT EFAYGLKAXX DATA SEQUENCE XXXTTAYCQL PNGALQGQNW DFFSATKENL IRLTIRQAGL PTIKFITEAG DATA SEQUENCE IIGKVGFNSA GVAVNYNALH LQGLRPTGVP SHIALRIALE STSPSQAYDR DATA SEQUENCE IVEQGGMAAS AFIMVGNGHE AFGLEFSPTS IRKQVLDANG RMVHTNHCLL DATA SEQUENCE QHGKNEKELD PLPDSWNRHQ RMEFLLDGFD GTKQAFAQLW ADEDNYPFSI DATA SEQUENCE CRAYEEGKSR GATLFNIIYD HARREATVRL GRPTNPDEMF VMRFDEEDER DATA SEQUENCE SALNAR VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.186 176.300 -0.189 0.000 1.140 1 M CA 0.000 55.194 55.300 -0.177 0.000 0.988 1 M CB 0.000 32.478 32.600 -0.203 0.000 1.302 2 L N 4.522 125.667 121.223 -0.130 0.000 2.513 2 L HA 0.218 4.558 4.340 -0.000 0.000 0.272 2 L C -0.979 175.831 176.870 -0.100 0.000 1.187 2 L CA 1.082 55.857 54.840 -0.107 0.000 0.895 2 L CB 0.102 42.106 42.059 -0.091 0.000 1.147 2 L HN 0.641 nan 8.230 nan 0.000 0.483 3 H N 5.961 124.905 119.070 -0.211 0.000 2.646 3 H HA 0.472 5.028 4.556 -0.000 0.000 0.328 3 H C -1.090 174.133 175.328 -0.174 0.000 0.998 3 H CA -1.070 54.844 56.048 -0.223 0.000 1.225 3 H CB 0.959 30.574 29.762 -0.244 0.000 1.457 3 H HN 0.656 nan 8.280 nan 0.000 0.505 4 I N 6.148 126.693 120.570 -0.042 0.000 2.339 4 I HA 0.087 4.257 4.170 -0.000 0.000 0.290 4 I C -0.634 175.396 176.117 -0.145 0.000 0.994 4 I CA -0.929 60.280 61.300 -0.151 0.000 1.191 4 I CB 1.739 39.649 38.000 -0.150 0.000 1.343 4 I HN 0.406 nan 8.210 nan 0.000 0.458 5 L N 7.942 129.046 121.223 -0.199 0.000 2.260 5 L HA 0.410 4.750 4.340 -0.000 0.000 0.289 5 L C -0.708 176.141 176.870 -0.035 0.000 1.057 5 L CA 0.187 54.957 54.840 -0.116 0.000 0.811 5 L CB 0.389 42.355 42.059 -0.154 0.000 1.184 5 L HN 0.647 nan 8.230 nan 0.000 0.429 6 C N 4.884 124.191 119.300 0.012 0.000 2.322 6 C HA 0.734 5.193 4.460 -0.000 0.000 0.324 6 C C -0.196 174.834 174.990 0.065 0.000 1.284 6 C CA -0.691 58.355 59.018 0.047 0.000 1.606 6 C CB 0.748 28.528 27.740 0.066 0.000 2.251 6 C HN 0.824 nan 8.230 nan 0.000 0.502 7 Q N 1.538 121.378 119.800 0.068 0.000 2.416 7 Q HA 0.751 5.091 4.340 -0.000 0.000 0.281 7 Q C 0.111 176.156 176.000 0.075 0.000 1.067 7 Q CA -0.315 55.527 55.803 0.065 0.000 0.809 7 Q CB 2.587 31.353 28.738 0.047 0.000 1.418 7 Q HN 1.167 nan 8.270 nan 0.000 0.411 8 G N 0.458 109.301 108.800 0.071 0.000 2.378 8 G HA2 -0.153 3.807 3.960 -0.000 0.000 0.198 8 G HA3 -0.153 3.807 3.960 -0.000 0.000 0.198 8 G C -0.324 174.627 174.900 0.086 0.000 1.223 8 G CA -0.490 44.654 45.100 0.074 0.000 1.088 8 G HN 0.937 nan 8.290 nan 0.000 0.530 9 T N -0.434 114.178 114.554 0.098 0.000 2.802 9 T HA 0.520 4.870 4.350 -0.000 0.000 0.305 9 T C -0.992 173.794 174.700 0.144 0.000 1.053 9 T CA -0.013 62.154 62.100 0.112 0.000 1.058 9 T CB 1.364 70.302 68.868 0.116 0.000 0.988 9 T HN 0.311 nan 8.240 nan 0.000 0.539 10 P HA -0.047 nan 4.420 nan 0.000 0.216 10 P C 1.227 178.635 177.300 0.180 0.000 1.153 10 P CA 0.784 63.983 63.100 0.165 0.000 0.858 10 P CB -0.141 31.659 31.700 0.166 0.000 0.789 11 F N 0.892 120.889 119.950 0.077 0.000 2.102 11 F HA -0.179 4.347 4.527 -0.000 0.000 0.298 11 F C 2.078 177.937 175.800 0.098 0.000 1.105 11 F CA 1.654 59.698 58.000 0.073 0.000 1.239 11 F CB -0.565 38.463 39.000 0.047 0.000 0.991 11 F HN -0.094 nan 8.300 nan 0.000 0.474 12 E N 0.388 120.786 120.200 0.330 0.000 2.085 12 E HA -0.249 4.101 4.350 -0.000 0.000 0.194 12 E C 2.309 179.003 176.600 0.156 0.000 0.994 12 E CA 1.842 58.380 56.400 0.229 0.000 0.801 12 E CB -0.332 29.468 29.700 0.167 0.000 0.743 12 E HN 0.491 nan 8.360 nan 0.000 0.453 13 I N 0.732 121.378 120.570 0.126 0.000 2.208 13 I HA -0.229 3.941 4.170 -0.000 0.000 0.245 13 I C 2.522 178.693 176.117 0.090 0.000 1.097 13 I CA 1.318 62.685 61.300 0.111 0.000 1.363 13 I CB -0.498 37.576 38.000 0.123 0.000 1.051 13 I HN 0.187 nan 8.210 nan 0.000 0.413 14 G N -0.423 108.387 108.800 0.017 0.000 2.402 14 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.216 14 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.216 14 G C 1.636 176.466 174.900 -0.118 0.000 1.162 14 G CA 0.579 45.631 45.100 -0.080 0.000 0.777 14 G HN 0.379 nan 8.290 nan 0.000 0.539 15 Y N 1.573 121.723 120.300 -0.251 0.000 2.224 15 Y HA -0.101 4.449 4.550 -0.000 0.000 0.289 15 Y C 2.790 178.657 175.900 -0.056 0.000 1.146 15 Y CA 1.885 59.875 58.100 -0.183 0.000 1.182 15 Y CB 0.122 38.510 38.460 -0.120 0.000 0.983 15 Y HN 0.153 nan 8.280 nan 0.000 0.524 16 E N -0.514 119.759 120.200 0.122 0.000 2.058 16 E HA -0.295 4.055 4.350 -0.000 0.000 0.194 16 E C 2.134 178.731 176.600 -0.006 0.000 0.997 16 E CA 1.855 58.293 56.400 0.063 0.000 0.801 16 E CB -0.876 28.875 29.700 0.086 0.000 0.746 16 E HN 0.765 nan 8.360 nan 0.000 0.450 17 H N -0.334 118.673 119.070 -0.104 0.000 2.293 17 H HA -0.085 4.471 4.556 -0.000 0.000 0.300 17 H C 2.120 177.346 175.328 -0.171 0.000 1.082 17 H CA 1.325 57.301 56.048 -0.120 0.000 1.308 17 H CB -0.074 29.636 29.762 -0.087 0.000 1.375 17 H HN 0.212 nan 8.280 nan 0.000 0.495 18 G N -0.411 108.294 108.800 -0.159 0.000 2.418 18 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.217 18 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.217 18 G C 1.967 176.699 174.900 -0.280 0.000 1.158 18 G CA 1.030 45.965 45.100 -0.274 0.000 0.771 18 G HN 0.577 nan 8.290 nan 0.000 0.545 19 S N 1.106 116.546 115.700 -0.433 0.000 2.371 19 S HA 0.232 4.702 4.470 -0.000 0.000 0.224 19 S C 2.600 177.085 174.600 -0.191 0.000 1.029 19 S CA 1.363 59.321 58.200 -0.404 0.000 0.978 19 S CB -0.464 62.337 63.200 -0.665 0.000 0.833 19 S HN 0.533 nan 8.310 nan 0.000 0.466 20 A N 1.518 124.256 122.820 -0.137 0.000 1.968 20 A HA 0.549 4.869 4.320 -0.000 0.000 0.217 20 A C 2.094 179.640 177.584 -0.063 0.000 1.169 20 A CA 1.217 53.205 52.037 -0.082 0.000 0.638 20 A CB -0.853 18.104 19.000 -0.071 0.000 0.812 20 A HN 0.942 nan 8.150 nan 0.000 0.446 21 A N -0.861 121.934 122.820 -0.042 0.000 2.545 21 A HA 0.333 4.653 4.320 -0.000 0.000 0.277 21 A C 1.527 179.088 177.584 -0.038 0.000 1.301 21 A CA 0.538 52.563 52.037 -0.020 0.000 0.935 21 A CB -0.338 18.692 19.000 0.050 0.000 1.093 21 A HN 0.491 nan 8.150 nan 0.000 0.519 22 K N 0.494 120.854 120.400 -0.067 0.000 2.034 22 K HA -0.223 4.097 4.320 -0.000 0.000 0.214 22 K C 1.997 178.569 176.600 -0.047 0.000 1.051 22 K CA 1.812 58.054 56.287 -0.074 0.000 0.931 22 K CB -0.264 32.186 32.500 -0.083 0.000 0.715 22 K HN 0.425 nan 8.250 nan 0.000 0.446 23 A N 0.380 123.178 122.820 -0.036 0.000 1.930 23 A HA -0.077 4.243 4.320 -0.000 0.000 0.217 23 A C 2.210 179.785 177.584 -0.016 0.000 1.175 23 A CA 1.593 53.615 52.037 -0.024 0.000 0.627 23 A CB -0.453 18.534 19.000 -0.021 0.000 0.815 23 A HN 0.203 nan 8.150 nan 0.000 0.443 24 V N 0.163 120.067 119.914 -0.017 0.000 2.358 24 V HA -0.246 3.874 4.120 -0.000 0.000 0.246 24 V C 2.369 178.464 176.094 0.002 0.000 1.047 24 V CA 1.871 64.167 62.300 -0.007 0.000 1.035 24 V CB -0.793 31.024 31.823 -0.010 0.000 0.658 24 V HN 0.557 nan 8.190 nan 0.000 0.452 25 I N 0.827 121.391 120.570 -0.010 0.000 2.264 25 I HA -0.259 3.911 4.170 -0.000 0.000 0.248 25 I C 2.700 178.812 176.117 -0.009 0.000 1.111 25 I CA 1.458 62.748 61.300 -0.017 0.000 1.382 25 I CB -0.573 37.392 38.000 -0.059 0.000 1.060 25 I HN 0.291 nan 8.210 nan 0.000 0.418 26 A N 0.848 123.661 122.820 -0.012 0.000 1.940 26 A HA -0.228 4.092 4.320 -0.000 0.000 0.219 26 A C 2.408 180.002 177.584 0.018 0.000 1.176 26 A CA 1.625 53.660 52.037 -0.004 0.000 0.631 26 A CB -0.539 18.456 19.000 -0.008 0.000 0.814 26 A HN 0.350 nan 8.150 nan 0.000 0.446 27 R N -0.702 119.814 120.500 0.027 0.000 2.073 27 R HA -0.025 4.315 4.340 -0.000 0.000 0.229 27 R C 2.527 178.886 176.300 0.097 0.000 1.120 27 R CA 1.301 57.433 56.100 0.053 0.000 0.967 27 R CB -0.420 29.904 30.300 0.040 0.000 0.862 27 R HN 0.490 nan 8.270 nan 0.000 0.436 28 S N 1.237 116.986 115.700 0.082 0.000 2.370 28 S HA -0.122 4.348 4.470 -0.000 0.000 0.226 28 S C 1.982 176.667 174.600 0.142 0.000 1.033 28 S CA 1.206 59.480 58.200 0.124 0.000 1.011 28 S CB -0.168 63.078 63.200 0.077 0.000 0.852 28 S HN 0.208 nan 8.310 nan 0.000 0.457 29 I N 1.409 122.020 120.570 0.069 0.000 2.252 29 I HA -0.182 3.988 4.170 -0.000 0.000 0.245 29 I C 2.039 178.175 176.117 0.031 0.000 1.102 29 I CA 1.107 62.427 61.300 0.033 0.000 1.385 29 I CB -0.404 37.595 38.000 -0.002 0.000 1.064 29 I HN 0.155 nan 8.210 nan 0.000 0.414 30 D N 0.647 121.075 120.400 0.046 0.000 2.123 30 D HA -0.227 4.413 4.640 -0.000 0.000 0.196 30 D C 1.917 178.237 176.300 0.034 0.000 0.992 30 D CA 1.338 55.355 54.000 0.028 0.000 0.833 30 D CB -0.393 40.429 40.800 0.037 0.000 0.954 30 D HN 0.259 nan 8.370 nan 0.000 0.455 31 F N 1.445 121.389 119.950 -0.010 0.000 2.102 31 F HA -0.145 4.382 4.527 -0.000 0.000 0.298 31 F C 2.161 177.955 175.800 -0.011 0.000 1.105 31 F CA 1.680 59.676 58.000 -0.006 0.000 1.239 31 F CB -0.227 38.800 39.000 0.046 0.000 0.991 31 F HN -0.056 nan 8.300 nan 0.000 0.474 32 A N -0.301 122.533 122.820 0.022 0.000 1.930 32 A HA -0.064 4.256 4.320 -0.000 0.000 0.217 32 A C 2.290 179.758 177.584 -0.192 0.000 1.175 32 A CA 1.623 53.626 52.037 -0.057 0.000 0.627 32 A CB -1.319 17.725 19.000 0.074 0.000 0.815 32 A HN 0.274 nan 8.150 nan 0.000 0.443 33 V N 0.739 120.555 119.914 -0.163 0.000 2.287 33 V HA -0.261 3.859 4.120 -0.000 0.000 0.248 33 V C 2.189 178.154 176.094 -0.214 0.000 1.053 33 V CA 2.402 64.595 62.300 -0.179 0.000 1.027 33 V CB -0.780 30.966 31.823 -0.128 0.000 0.646 33 V HN 0.497 nan 8.190 nan 0.000 0.447 34 D N -0.305 119.940 120.400 -0.258 0.000 2.117 34 D HA -0.140 4.500 4.640 -0.000 0.000 0.197 34 D C 1.942 178.025 176.300 -0.362 0.000 0.987 34 D CA 1.111 54.940 54.000 -0.285 0.000 0.829 34 D CB -0.334 40.288 40.800 -0.297 0.000 0.961 34 D HN 0.344 nan 8.370 nan 0.000 0.460 35 L N 0.731 121.631 121.223 -0.538 0.000 2.017 35 L HA -0.117 4.223 4.340 -0.000 0.000 0.208 35 L C 2.145 178.855 176.870 -0.268 0.000 1.073 35 L CA 1.448 55.988 54.840 -0.499 0.000 0.745 35 L CB -0.442 41.264 42.059 -0.589 0.000 0.894 35 L HN -0.008 nan 8.230 nan 0.000 0.432 36 I N -0.898 119.541 120.570 -0.218 0.000 2.202 36 I HA -0.281 3.889 4.170 -0.000 0.000 0.242 36 I C 2.655 178.706 176.117 -0.111 0.000 1.091 36 I CA 1.221 62.437 61.300 -0.140 0.000 1.368 36 I CB -0.335 37.551 38.000 -0.190 0.000 1.058 36 I HN 0.227 nan 8.210 nan 0.000 0.410 37 R N 0.639 121.059 120.500 -0.132 0.000 2.091 37 R HA -0.141 4.199 4.340 -0.000 0.000 0.238 37 R C 2.404 178.657 176.300 -0.078 0.000 1.136 37 R CA 1.576 57.620 56.100 -0.092 0.000 0.959 37 R CB -0.761 29.480 30.300 -0.098 0.000 0.856 37 R HN 0.475 nan 8.270 nan 0.000 0.437 38 G N 1.243 109.977 108.800 -0.111 0.000 2.404 38 G HA2 -0.218 3.742 3.960 -0.000 0.000 0.215 38 G HA3 -0.218 3.742 3.960 -0.000 0.000 0.215 38 G C 1.329 176.194 174.900 -0.058 0.000 1.174 38 G CA 0.410 45.455 45.100 -0.091 0.000 0.780 38 G HN 0.109 nan 8.290 nan 0.000 0.537 39 K N 0.648 121.005 120.400 -0.072 0.000 2.103 39 K HA -0.008 4.312 4.320 -0.000 0.000 0.204 39 K C 1.636 178.231 176.600 -0.008 0.000 1.052 39 K CA 1.025 57.284 56.287 -0.045 0.000 0.945 39 K CB -0.569 31.855 32.500 -0.127 0.000 0.722 39 K HN 0.510 nan 8.250 nan 0.000 0.443 40 T N -0.538 114.015 114.554 -0.002 0.000 2.918 40 T HA 0.234 4.584 4.350 -0.000 0.000 0.283 40 T C 0.895 175.611 174.700 0.027 0.000 1.001 40 T CA -0.778 61.342 62.100 0.033 0.000 1.041 40 T CB 1.734 70.645 68.868 0.073 0.000 1.028 40 T HN 0.153 nan 8.240 nan 0.000 0.511 41 K N 0.320 120.742 120.400 0.037 0.000 2.444 41 K HA 0.133 4.453 4.320 -0.000 0.000 0.193 41 K C 0.305 176.923 176.600 0.030 0.000 1.024 41 K CA -0.230 56.075 56.287 0.030 0.000 1.077 41 K CB 0.185 32.704 32.500 0.032 0.000 0.833 41 K HN 0.266 nan 8.250 nan 0.000 0.517 42 K N 2.753 123.178 120.400 0.042 0.000 2.295 42 K HA 0.039 4.359 4.320 -0.000 0.000 0.270 42 K C 0.411 177.031 176.600 0.034 0.000 1.011 42 K CA 0.107 56.423 56.287 0.049 0.000 0.953 42 K CB 1.218 33.767 32.500 0.082 0.000 0.956 42 K HN 0.287 nan 8.250 nan 0.000 0.477 43 T N -1.517 113.056 114.554 0.032 0.000 2.813 43 T HA 0.064 4.414 4.350 -0.000 0.000 0.297 43 T C 0.894 175.607 174.700 0.023 0.000 1.036 43 T CA -0.584 61.528 62.100 0.022 0.000 1.044 43 T CB 0.629 69.510 68.868 0.021 0.000 0.993 43 T HN 0.364 nan 8.240 nan 0.000 0.535 44 D N 0.112 120.517 120.400 0.009 0.000 2.144 44 D HA -0.121 4.519 4.640 -0.000 0.000 0.199 44 D C 1.796 178.107 176.300 0.019 0.000 0.984 44 D CA 1.284 55.286 54.000 0.003 0.000 0.834 44 D CB -0.124 40.670 40.800 -0.010 0.000 0.955 44 D HN 0.867 nan 8.370 nan 0.000 0.465 45 E N 0.967 121.181 120.200 0.023 0.000 2.058 45 E HA -0.207 4.143 4.350 -0.000 0.000 0.194 45 E C 1.801 178.429 176.600 0.047 0.000 0.997 45 E CA 1.047 57.465 56.400 0.030 0.000 0.801 45 E CB 0.145 29.860 29.700 0.025 0.000 0.746 45 E HN 0.298 nan 8.360 nan 0.000 0.450 46 E N 0.277 120.509 120.200 0.052 0.000 2.077 46 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 46 E C 2.316 178.984 176.600 0.114 0.000 0.989 46 E CA 1.121 57.564 56.400 0.072 0.000 0.800 46 E CB -0.091 29.648 29.700 0.066 0.000 0.746 46 E HN 0.321 nan 8.360 nan 0.000 0.452 47 L N 0.878 122.173 121.223 0.121 0.000 2.046 47 L HA -0.210 4.130 4.340 -0.000 0.000 0.208 47 L C 2.358 179.333 176.870 0.176 0.000 1.077 47 L CA 1.287 56.242 54.840 0.192 0.000 0.747 47 L CB -0.313 41.786 42.059 0.066 0.000 0.896 47 L HN 0.028 nan 8.230 nan 0.000 0.432 48 K N -0.416 120.039 120.400 0.092 0.000 2.097 48 K HA -0.240 4.080 4.320 -0.000 0.000 0.206 48 K C 2.152 178.817 176.600 0.109 0.000 1.049 48 K CA 1.336 57.672 56.287 0.081 0.000 0.933 48 K CB -0.092 32.435 32.500 0.046 0.000 0.717 48 K HN 0.141 nan 8.250 nan 0.000 0.442 49 Q N 1.195 121.056 119.800 0.102 0.000 2.046 49 Q HA -0.113 4.227 4.340 -0.000 0.000 0.200 49 Q C 1.850 177.917 176.000 0.111 0.000 0.975 49 Q CA 1.647 57.504 55.803 0.090 0.000 0.836 49 Q CB -0.305 28.474 28.738 0.067 0.000 0.896 49 Q HN 0.066 nan 8.270 nan 0.000 0.428 50 V N 0.785 120.787 119.914 0.146 0.000 2.332 50 V HA -0.225 3.894 4.120 -0.000 0.000 0.248 50 V C 2.317 178.535 176.094 0.206 0.000 1.055 50 V CA 1.634 64.010 62.300 0.125 0.000 1.038 50 V CB -0.786 31.084 31.823 0.078 0.000 0.651 50 V HN 0.396 nan 8.190 nan 0.000 0.450 51 L N 0.053 121.494 121.223 0.363 0.000 2.056 51 L HA -0.112 4.228 4.340 -0.000 0.000 0.207 51 L C 2.660 179.657 176.870 0.211 0.000 1.078 51 L CA 2.270 57.334 54.840 0.374 0.000 0.749 51 L CB -0.805 41.419 42.059 0.275 0.000 0.901 51 L HN 0.339 nan 8.230 nan 0.000 0.433 52 S N -1.184 114.607 115.700 0.152 0.000 2.359 52 S HA -0.265 4.205 4.470 -0.000 0.000 0.224 52 S C 1.936 176.591 174.600 0.092 0.000 1.035 52 S CA 1.677 59.943 58.200 0.111 0.000 1.018 52 S CB -0.193 63.058 63.200 0.084 0.000 0.876 52 S HN 0.643 nan 8.310 nan 0.000 0.448 53 Q N 0.338 120.186 119.800 0.081 0.000 2.045 53 Q HA -0.136 4.204 4.340 -0.000 0.000 0.206 53 Q C 2.356 178.393 176.000 0.061 0.000 0.991 53 Q CA 1.930 57.765 55.803 0.052 0.000 0.851 53 Q CB -0.452 28.309 28.738 0.037 0.000 0.911 53 Q HN 0.523 nan 8.270 nan 0.000 0.418 54 L N -0.041 121.236 121.223 0.091 0.000 2.083 54 L HA -0.138 4.202 4.340 -0.000 0.000 0.209 54 L C 2.446 179.408 176.870 0.153 0.000 1.083 54 L CA 1.088 55.999 54.840 0.119 0.000 0.752 54 L CB -0.864 41.276 42.059 0.134 0.000 0.899 54 L HN 0.365 nan 8.230 nan 0.000 0.433 55 G N -0.214 108.685 108.800 0.166 0.000 2.440 55 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.218 55 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.218 55 G C 1.755 176.652 174.900 -0.005 0.000 1.154 55 G CA 0.482 45.698 45.100 0.194 0.000 0.767 55 G HN 0.269 nan 8.290 nan 0.000 0.552 56 R N -0.287 120.200 120.500 -0.022 0.000 2.081 56 R HA -0.029 4.311 4.340 -0.000 0.000 0.235 56 R C 2.697 178.920 176.300 -0.129 0.000 1.131 56 R CA 1.173 57.210 56.100 -0.105 0.000 0.960 56 R CB -0.572 29.697 30.300 -0.051 0.000 0.856 56 R HN 0.307 nan 8.270 nan 0.000 0.436 57 V N 1.456 121.341 119.914 -0.049 0.000 2.287 57 V HA -0.258 3.862 4.120 -0.000 0.000 0.248 57 V C 2.261 178.314 176.094 -0.069 0.000 1.053 57 V CA 1.825 64.092 62.300 -0.056 0.000 1.027 57 V CB -0.380 31.473 31.823 0.049 0.000 0.646 57 V HN 0.276 nan 8.190 nan 0.000 0.447 58 I N -0.175 120.458 120.570 0.106 0.000 2.252 58 I HA -0.242 3.928 4.170 -0.000 0.000 0.245 58 I C 2.598 178.732 176.117 0.030 0.000 1.102 58 I CA 1.822 63.314 61.300 0.321 0.000 1.385 58 I CB -0.398 37.893 38.000 0.484 0.000 1.064 58 I HN 0.411 nan 8.210 nan 0.000 0.414 59 E N 1.390 121.332 120.200 -0.431 0.000 2.058 59 E HA -0.298 4.052 4.350 -0.000 0.000 0.194 59 E C 2.073 178.494 176.600 -0.299 0.000 0.997 59 E CA 1.910 57.886 56.400 -0.707 0.000 0.801 59 E CB -0.005 29.035 29.700 -1.099 0.000 0.746 59 E HN 0.659 nan 8.360 nan 0.000 0.450 60 E N -0.219 119.813 120.200 -0.280 0.000 2.122 60 E HA -0.132 4.218 4.350 -0.000 0.000 0.190 60 E C 2.181 178.581 176.600 -0.333 0.000 0.977 60 E CA 0.326 56.578 56.400 -0.247 0.000 0.820 60 E CB -0.110 29.462 29.700 -0.214 0.000 0.770 60 E HN 0.155 nan 8.360 nan 0.000 0.462 61 R N -0.254 119.928 120.500 -0.529 0.000 2.080 61 R HA 0.068 4.407 4.340 -0.000 0.000 0.222 61 R C 0.431 176.096 176.300 -1.058 0.000 1.107 61 R CA 0.773 56.269 56.100 -1.007 0.000 0.980 61 R CB 0.253 29.451 30.300 -1.837 0.000 0.879 61 R HN 0.294 nan 8.270 nan 0.000 0.439 62 W N 1.361 122.657 121.300 -0.007 0.000 1.890 62 W HA 0.306 4.966 4.660 -0.000 0.000 0.293 62 W C -2.318 174.193 176.519 -0.013 0.000 0.895 62 W CA -2.242 55.076 57.345 -0.046 0.000 1.968 62 W CB 0.628 30.137 29.460 0.081 0.000 2.198 62 W HN -0.024 nan 8.180 nan 0.000 0.401 63 P HA -0.203 nan 4.420 nan 0.000 0.217 63 P C 1.524 178.918 177.300 0.156 0.000 1.148 63 P CA 2.003 65.169 63.100 0.110 0.000 0.828 63 P CB 0.452 32.170 31.700 0.031 0.000 0.783 64 K N -1.480 118.944 120.400 0.040 0.000 2.097 64 K HA -0.134 4.186 4.320 -0.000 0.000 0.205 64 K C 2.243 178.951 176.600 0.180 0.000 1.050 64 K CA 1.297 57.610 56.287 0.044 0.000 0.938 64 K CB -0.481 31.966 32.500 -0.088 0.000 0.718 64 K HN 0.165 nan 8.250 nan 0.000 0.442 65 Y N -0.664 119.770 120.300 0.223 0.000 2.314 65 Y HA -0.179 4.371 4.550 -0.000 0.000 0.293 65 Y C 2.187 178.220 175.900 0.221 0.000 1.129 65 Y CA 0.253 58.468 58.100 0.192 0.000 1.201 65 Y CB -0.920 37.649 38.460 0.182 0.000 0.999 65 Y HN 0.110 nan 8.280 nan 0.000 0.541 66 Y N 1.291 121.766 120.300 0.292 0.000 2.200 66 Y HA -0.175 4.374 4.550 -0.000 0.000 0.290 66 Y C 2.173 178.179 175.900 0.177 0.000 1.137 66 Y CA 1.569 59.796 58.100 0.211 0.000 1.163 66 Y CB -0.042 38.525 38.460 0.178 0.000 0.988 66 Y HN -0.022 nan 8.280 nan 0.000 0.518 67 E N 0.362 120.705 120.200 0.238 0.000 2.110 67 E HA -0.248 4.102 4.350 -0.000 0.000 0.193 67 E C 2.112 178.775 176.600 0.104 0.000 0.988 67 E CA 1.435 57.955 56.400 0.200 0.000 0.804 67 E CB -0.350 29.501 29.700 0.251 0.000 0.745 67 E HN 0.693 nan 8.360 nan 0.000 0.458 68 E N 0.476 120.739 120.200 0.105 0.000 2.051 68 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 68 E C 2.221 178.764 176.600 -0.095 0.000 0.991 68 E CA 0.852 57.271 56.400 0.031 0.000 0.799 68 E CB -0.117 29.664 29.700 0.136 0.000 0.748 68 E HN 0.183 nan 8.360 nan 0.000 0.449 69 I N 0.620 121.142 120.570 -0.081 0.000 2.208 69 I HA -0.301 3.869 4.170 -0.000 0.000 0.245 69 I C 2.654 178.614 176.117 -0.262 0.000 1.097 69 I CA 1.193 62.393 61.300 -0.166 0.000 1.363 69 I CB -0.227 37.697 38.000 -0.126 0.000 1.051 69 I HN 0.106 nan 8.210 nan 0.000 0.413 70 R N 0.432 120.747 120.500 -0.309 0.000 2.091 70 R HA -0.136 4.204 4.340 -0.000 0.000 0.238 70 R C 2.398 178.479 176.300 -0.366 0.000 1.136 70 R CA 1.496 57.465 56.100 -0.219 0.000 0.959 70 R CB -0.767 29.535 30.300 0.002 0.000 0.856 70 R HN 0.470 nan 8.270 nan 0.000 0.437 71 G N 1.226 109.575 108.800 -0.751 0.000 2.402 71 G HA2 -0.214 3.746 3.960 -0.000 0.000 0.216 71 G HA3 -0.214 3.746 3.960 -0.000 0.000 0.216 71 G C 1.467 176.053 174.900 -0.523 0.000 1.162 71 G CA 0.512 44.867 45.100 -1.241 0.000 0.777 71 G HN 0.151 nan 8.290 nan 0.000 0.539 72 I N 1.454 121.797 120.570 -0.378 0.000 2.163 72 I HA -0.213 3.957 4.170 -0.000 0.000 0.243 72 I C 3.329 179.285 176.117 -0.269 0.000 1.085 72 I CA 1.054 62.151 61.300 -0.338 0.000 1.347 72 I CB -0.284 37.484 38.000 -0.387 0.000 1.044 72 I HN 0.246 nan 8.210 nan 0.000 0.408 73 A N 0.771 123.462 122.820 -0.215 0.000 1.883 73 A HA -0.309 4.011 4.320 -0.000 0.000 0.217 73 A C 2.280 179.813 177.584 -0.085 0.000 1.186 73 A CA 2.334 54.292 52.037 -0.132 0.000 0.624 73 A CB -0.562 18.381 19.000 -0.095 0.000 0.822 73 A HN 0.284 nan 8.150 nan 0.000 0.444 74 K N -0.279 120.087 120.400 -0.056 0.000 2.032 74 K HA -0.070 4.250 4.320 -0.000 0.000 0.209 74 K C 1.939 178.557 176.600 0.031 0.000 1.048 74 K CA 1.949 58.283 56.287 0.079 0.000 0.927 74 K CB -1.011 31.657 32.500 0.280 0.000 0.712 74 K HN 0.323 nan 8.250 nan 0.000 0.441 75 G N -0.594 108.102 108.800 -0.174 0.000 2.408 75 G HA2 -0.167 3.793 3.960 -0.000 0.000 0.217 75 G HA3 -0.167 3.793 3.960 -0.000 0.000 0.217 75 G C 1.435 176.144 174.900 -0.319 0.000 1.150 75 G CA 0.806 45.561 45.100 -0.575 0.000 0.776 75 G HN 0.436 nan 8.290 nan 0.000 0.542 76 A N -0.192 122.498 122.820 -0.217 0.000 2.251 76 A HA 0.368 4.688 4.320 -0.000 0.000 0.209 76 A C 0.922 178.455 177.584 -0.085 0.000 1.187 76 A CA 0.875 52.825 52.037 -0.146 0.000 0.823 76 A CB -0.200 18.714 19.000 -0.143 0.000 0.846 76 A HN 0.440 nan 8.150 nan 0.000 0.486 77 E N -0.462 119.702 120.200 -0.059 0.000 2.389 77 E HA -0.179 4.170 4.350 -0.000 0.000 0.243 77 E C -0.537 176.050 176.600 -0.022 0.000 1.154 77 E CA 0.367 56.755 56.400 -0.020 0.000 0.723 77 E CB -0.914 28.780 29.700 -0.010 0.000 1.261 77 E HN 0.505 nan 8.360 nan 0.000 0.390 78 R N 0.479 120.959 120.500 -0.033 0.000 2.919 78 R HA 0.382 4.722 4.340 -0.000 0.000 0.260 78 R C -0.138 176.150 176.300 -0.019 0.000 1.067 78 R CA -0.952 55.130 56.100 -0.030 0.000 1.003 78 R CB 0.685 30.957 30.300 -0.046 0.000 1.192 78 R HN -0.053 nan 8.270 nan 0.000 0.488 79 D N 0.399 120.792 120.400 -0.011 0.000 2.372 79 D HA 0.021 4.661 4.640 -0.000 0.000 0.243 79 D C 1.462 177.757 176.300 -0.008 0.000 1.121 79 D CA -0.178 53.823 54.000 0.002 0.000 0.898 79 D CB 1.186 41.993 40.800 0.011 0.000 1.202 79 D HN 0.067 nan 8.370 nan 0.000 0.428 80 V N 2.066 121.981 119.914 0.001 0.000 2.324 80 V HA -0.305 3.815 4.120 -0.000 0.000 0.250 80 V C 2.460 178.565 176.094 0.018 0.000 1.060 80 V CA 2.430 64.718 62.300 -0.020 0.000 1.042 80 V CB -0.759 31.054 31.823 -0.016 0.000 0.650 80 V HN 0.683 nan 8.190 nan 0.000 0.450 81 S N 0.050 115.782 115.700 0.053 0.000 2.400 81 S HA -0.284 4.186 4.470 -0.000 0.000 0.232 81 S C 1.767 176.390 174.600 0.037 0.000 1.025 81 S CA 1.814 60.057 58.200 0.073 0.000 0.993 81 S CB -0.554 62.687 63.200 0.069 0.000 0.808 81 S HN 0.752 nan 8.310 nan 0.000 0.478 82 E N 0.691 120.893 120.200 0.004 0.000 2.106 82 E HA -0.040 4.309 4.350 -0.000 0.000 0.192 82 E C 1.905 178.492 176.600 -0.021 0.000 0.984 82 E CA 1.080 57.468 56.400 -0.020 0.000 0.806 82 E CB -0.188 29.495 29.700 -0.029 0.000 0.750 82 E HN 0.493 nan 8.360 nan 0.000 0.458 83 I N 0.643 121.196 120.570 -0.028 0.000 2.406 83 I HA -0.154 4.016 4.170 -0.000 0.000 0.249 83 I C 2.414 178.532 176.117 0.002 0.000 1.122 83 I CA 0.727 62.000 61.300 -0.046 0.000 1.431 83 I CB -1.068 36.873 38.000 -0.098 0.000 1.087 83 I HN -0.020 nan 8.210 nan 0.000 0.424 84 V N 1.011 120.955 119.914 0.050 0.000 2.282 84 V HA -0.331 3.789 4.120 -0.000 0.000 0.249 84 V C 2.681 178.860 176.094 0.142 0.000 1.057 84 V CA 1.899 64.278 62.300 0.130 0.000 1.032 84 V CB -0.684 31.261 31.823 0.203 0.000 0.645 84 V HN 0.423 nan 8.190 nan 0.000 0.447 85 M N -0.448 119.211 119.600 0.099 0.000 2.082 85 M HA -0.202 4.278 4.480 -0.000 0.000 0.258 85 M C 2.161 178.495 176.300 0.056 0.000 1.069 85 M CA 2.142 57.477 55.300 0.057 0.000 1.102 85 M CB -0.636 31.909 32.600 -0.092 0.000 1.336 85 M HN 0.312 nan 8.290 nan 0.000 0.404 86 L N -0.064 121.170 121.223 0.019 0.000 2.046 86 L HA -0.246 4.094 4.340 -0.000 0.000 0.208 86 L C 1.955 178.802 176.870 -0.038 0.000 1.077 86 L CA 1.172 56.012 54.840 0.001 0.000 0.747 86 L CB -0.947 41.101 42.059 -0.017 0.000 0.896 86 L HN 0.397 nan 8.230 nan 0.000 0.432 87 N N -0.470 118.223 118.700 -0.011 0.000 2.461 87 N HA -0.051 4.688 4.740 -0.000 0.000 0.188 87 N C 0.963 176.491 175.510 0.030 0.000 1.134 87 N CA 1.355 54.381 53.050 -0.039 0.000 0.878 87 N CB 0.282 38.774 38.487 0.008 0.000 0.972 87 N HN 0.439 nan 8.380 nan 0.000 0.456 88 T N -3.332 111.299 114.554 0.128 0.000 3.288 88 T HA 0.260 4.610 4.350 -0.000 0.000 0.293 88 T C 1.228 176.130 174.700 0.336 0.000 1.008 88 T CA -0.546 61.692 62.100 0.230 0.000 0.929 88 T CB 0.627 69.657 68.868 0.270 0.000 1.152 88 T HN -0.046 nan 8.240 nan 0.000 0.517 89 R N 1.451 122.088 120.500 0.229 0.000 2.105 89 R HA -0.105 4.235 4.340 -0.000 0.000 0.239 89 R C 1.864 178.377 176.300 0.355 0.000 1.135 89 R CA 1.998 58.265 56.100 0.279 0.000 0.967 89 R CB -0.747 29.668 30.300 0.191 0.000 0.861 89 R HN 0.382 nan 8.270 nan 0.000 0.442 90 T N 0.742 115.526 114.554 0.383 0.000 2.684 90 T HA -0.142 4.208 4.350 -0.000 0.000 0.267 90 T C 1.413 176.336 174.700 0.371 0.000 1.036 90 T CA 1.757 64.147 62.100 0.483 0.000 1.148 90 T CB -0.200 68.981 68.868 0.522 0.000 0.863 90 T HN 0.336 nan 8.240 nan 0.000 0.436 91 E N 0.449 120.810 120.200 0.267 0.000 2.085 91 E HA -0.036 4.314 4.350 -0.000 0.000 0.194 91 E C 1.748 178.360 176.600 0.020 0.000 0.994 91 E CA 1.077 57.545 56.400 0.113 0.000 0.801 91 E CB -0.426 29.281 29.700 0.013 0.000 0.743 91 E HN 0.512 nan 8.360 nan 0.000 0.453 92 F N 0.215 120.229 119.950 0.107 0.000 2.053 92 F HA -0.013 4.514 4.527 -0.000 0.000 0.292 92 F C 2.351 178.146 175.800 -0.009 0.000 1.125 92 F CA 1.176 59.206 58.000 0.050 0.000 1.193 92 F CB -0.824 38.195 39.000 0.030 0.000 0.996 92 F HN 0.018 nan 8.300 nan 0.000 0.470 93 A N -1.572 121.332 122.820 0.140 0.000 2.019 93 A HA -0.156 4.163 4.320 -0.000 0.000 0.219 93 A C 1.370 178.613 177.584 -0.568 0.000 1.164 93 A CA 1.730 53.606 52.037 -0.269 0.000 0.644 93 A CB -0.829 17.921 19.000 -0.417 0.000 0.805 93 A HN 0.546 nan 8.150 nan 0.000 0.449 94 Y N -2.349 118.088 120.300 0.228 0.000 2.572 94 Y HA 0.266 4.816 4.550 -0.000 0.000 0.274 94 Y C 2.511 178.497 175.900 0.144 0.000 1.135 94 Y CA -0.266 57.950 58.100 0.193 0.000 1.230 94 Y CB -0.592 37.981 38.460 0.188 0.000 1.293 94 Y HN 0.199 nan 8.280 nan 0.000 0.501 95 G N 0.225 109.163 108.800 0.230 0.000 2.422 95 G HA2 -0.112 3.848 3.960 -0.000 0.000 0.218 95 G HA3 -0.112 3.848 3.960 -0.000 0.000 0.218 95 G C 1.201 176.156 174.900 0.092 0.000 1.140 95 G CA 0.662 45.847 45.100 0.141 0.000 0.775 95 G HN 0.298 nan 8.290 nan 0.000 0.545 96 L N 0.275 121.544 121.223 0.076 0.000 2.741 96 L HA 0.267 4.607 4.340 -0.000 0.000 0.237 96 L C 0.632 177.552 176.870 0.084 0.000 1.178 96 L CA -0.533 54.347 54.840 0.066 0.000 0.973 96 L CB 0.232 42.328 42.059 0.061 0.000 1.255 96 L HN 0.011 nan 8.230 nan 0.000 0.498 97 K N 2.063 122.527 120.400 0.106 0.000 2.491 97 K HA 0.152 4.472 4.320 -0.000 0.000 0.279 97 K C 0.433 177.090 176.600 0.095 0.000 1.026 97 K CA 0.218 56.571 56.287 0.110 0.000 1.070 97 K CB 0.620 33.243 32.500 0.204 0.000 0.887 97 K HN 0.198 nan 8.250 nan 0.000 0.481 105 T N 2.093 116.822 114.554 0.293 0.000 2.893 105 T HA 0.881 5.230 4.350 -0.000 0.000 0.293 105 T C -0.929 174.016 174.700 0.408 0.000 1.027 105 T CA -0.670 61.639 62.100 0.349 0.000 0.988 105 T CB 1.831 70.881 68.868 0.303 0.000 1.043 105 T HN 1.015 nan 8.240 nan 0.000 0.461 106 A N 2.348 125.490 122.820 0.537 0.000 2.515 106 A HA 0.790 5.110 4.320 -0.000 0.000 0.298 106 A C -2.155 175.754 177.584 0.542 0.000 1.059 106 A CA -0.709 51.608 52.037 0.467 0.000 0.698 106 A CB 1.502 20.727 19.000 0.375 0.000 1.289 106 A HN 0.804 nan 8.150 nan 0.000 0.404 107 Y N 0.453 120.939 120.300 0.309 0.000 2.425 107 Y HA 0.590 5.140 4.550 -0.000 0.000 0.344 107 Y C -0.940 175.084 175.900 0.207 0.000 0.969 107 Y CA -0.948 57.308 58.100 0.260 0.000 1.052 107 Y CB 1.945 40.524 38.460 0.198 0.000 1.215 107 Y HN 0.787 nan 8.280 nan 0.000 0.451 108 C N 5.905 125.116 119.300 -0.148 0.000 2.383 108 C HA 0.336 4.796 4.460 -0.000 0.000 0.330 108 C C -0.596 174.297 174.990 -0.161 0.000 1.168 108 C CA -0.828 58.195 59.018 0.009 0.000 1.374 108 C CB 0.600 28.409 27.740 0.114 0.000 2.014 108 C HN 0.776 nan 8.230 nan 0.000 0.439 109 Q N 2.987 122.842 119.800 0.092 0.000 2.297 109 Q HA 0.646 4.985 4.340 -0.000 0.000 0.267 109 Q C -1.151 174.874 176.000 0.042 0.000 1.006 109 Q CA 0.846 56.708 55.803 0.098 0.000 0.896 109 Q CB 0.255 29.113 28.738 0.200 0.000 1.186 109 Q HN 0.719 nan 8.270 nan 0.000 0.392 110 L N 6.707 127.933 121.223 0.005 0.000 2.409 110 L HA 0.464 4.804 4.340 -0.000 0.000 0.262 110 L C -1.625 175.246 176.870 0.002 0.000 0.992 110 L CA -1.962 52.877 54.840 -0.003 0.000 0.817 110 L CB 2.410 44.455 42.059 -0.024 0.000 1.350 110 L HN 0.584 nan 8.230 nan 0.000 0.411 111 P HA -0.138 nan 4.420 nan 0.000 0.216 111 P C 0.565 177.870 177.300 0.008 0.000 1.153 111 P CA 1.428 64.531 63.100 0.005 0.000 0.848 111 P CB -0.065 31.633 31.700 -0.004 0.000 0.787 112 N N -0.222 118.477 118.700 -0.003 0.000 2.383 112 N HA 0.221 4.961 4.740 -0.000 0.000 0.192 112 N C 0.446 175.963 175.510 0.012 0.000 1.141 112 N CA 0.419 53.471 53.050 0.004 0.000 0.851 112 N CB -0.296 38.187 38.487 -0.006 0.000 0.976 112 N HN 0.221 nan 8.380 nan 0.000 0.465 113 G N -1.227 107.581 108.800 0.014 0.000 2.621 113 G HA2 0.414 4.374 3.960 -0.000 0.000 0.355 113 G HA3 0.414 4.374 3.960 -0.000 0.000 0.355 113 G C -0.717 174.180 174.900 -0.004 0.000 1.509 113 G CA -0.597 44.521 45.100 0.029 0.000 1.000 113 G HN 0.467 nan 8.290 nan 0.000 0.646 114 A N 1.760 124.584 122.820 0.007 0.000 2.520 114 A HA 0.692 5.012 4.320 -0.000 0.000 0.235 114 A C 0.491 178.000 177.584 -0.126 0.000 1.065 114 A CA 0.373 52.346 52.037 -0.107 0.000 0.764 114 A CB 0.319 19.218 19.000 -0.167 0.000 1.002 114 A HN 1.317 nan 8.150 nan 0.000 0.502 115 L N 1.025 122.016 121.223 -0.387 0.000 2.381 115 L HA 0.633 4.972 4.340 -0.000 0.000 0.268 115 L C -0.066 176.475 176.870 -0.548 0.000 0.997 115 L CA -0.368 54.113 54.840 -0.599 0.000 0.818 115 L CB 1.994 43.349 42.059 -1.174 0.000 1.310 115 L HN 0.919 nan 8.230 nan 0.000 0.416 116 Q N 1.298 120.961 119.800 -0.229 0.000 2.340 116 Q HA 0.748 5.088 4.340 -0.000 0.000 0.276 116 Q C -1.342 174.847 176.000 0.316 0.000 1.048 116 Q CA -0.539 55.398 55.803 0.223 0.000 0.832 116 Q CB 3.015 32.039 28.738 0.476 0.000 1.373 116 Q HN 0.812 nan 8.270 nan 0.000 0.409 117 G N 1.614 110.630 108.800 0.361 0.000 2.550 117 G HA2 0.494 4.454 3.960 -0.000 0.000 0.293 117 G HA3 0.494 4.454 3.960 -0.000 0.000 0.293 117 G C -2.096 172.554 174.900 -0.416 0.000 1.402 117 G CA -0.440 44.560 45.100 -0.166 0.000 0.784 117 G HN 0.703 nan 8.290 nan 0.000 0.482 118 Q N -0.732 118.568 119.800 -0.834 0.000 2.522 118 Q HA 0.545 4.885 4.340 -0.000 0.000 0.285 118 Q C -1.844 173.700 176.000 -0.761 0.000 0.982 118 Q CA -1.064 54.313 55.803 -0.709 0.000 0.805 118 Q CB 1.621 30.267 28.738 -0.152 0.000 1.457 118 Q HN 0.361 nan 8.270 nan 0.000 0.394 119 N N 1.364 119.845 118.700 -0.365 0.000 2.456 119 N HA 0.304 5.044 4.740 -0.000 0.000 0.288 119 N C -1.724 173.697 175.510 -0.149 0.000 1.059 119 N CA -0.285 52.632 53.050 -0.222 0.000 0.946 119 N CB 1.190 39.684 38.487 0.011 0.000 1.150 119 N HN 0.604 nan 8.380 nan 0.000 0.479 120 W N 3.404 124.382 121.300 -0.537 0.000 2.314 120 W HA 0.285 4.945 4.660 -0.000 0.000 0.310 120 W C -1.475 174.935 176.519 -0.182 0.000 1.075 120 W CA -0.471 56.620 57.345 -0.422 0.000 1.253 120 W CB 0.854 29.823 29.460 -0.819 0.000 1.238 120 W HN 0.397 nan 8.180 nan 0.000 0.440 121 D N 6.572 126.585 120.400 -0.644 0.000 2.308 121 D HA 0.518 5.158 4.640 -0.000 0.000 0.242 121 D C -0.939 175.023 176.300 -0.564 0.000 1.059 121 D CA 0.019 53.745 54.000 -0.457 0.000 0.830 121 D CB 2.148 42.788 40.800 -0.267 0.000 1.161 121 D HN 0.255 nan 8.370 nan 0.000 0.494 122 F N 0.490 120.101 119.950 -0.564 0.000 3.122 122 F HA 0.372 4.899 4.527 -0.000 0.000 0.325 122 F C -1.351 174.287 175.800 -0.271 0.000 1.162 122 F CA -1.388 56.327 58.000 -0.475 0.000 0.876 122 F CB 0.613 39.390 39.000 -0.372 0.000 1.429 122 F HN 0.085 nan 8.300 nan 0.000 0.484 123 F N 2.041 121.673 119.950 -0.529 0.000 2.578 123 F HA 0.150 4.677 4.527 -0.000 0.000 0.376 123 F C 1.625 177.344 175.800 -0.135 0.000 1.085 123 F CA 0.647 58.474 58.000 -0.288 0.000 1.260 123 F CB 0.301 39.151 39.000 -0.250 0.000 1.095 123 F HN 0.321 nan 8.300 nan 0.000 0.573 124 S N 2.235 117.974 115.700 0.066 0.000 2.402 124 S HA -0.255 4.215 4.470 -0.000 0.000 0.233 124 S C 2.252 176.848 174.600 -0.007 0.000 1.030 124 S CA 1.230 59.433 58.200 0.005 0.000 1.003 124 S CB -0.338 62.810 63.200 -0.086 0.000 0.813 124 S HN 0.780 nan 8.310 nan 0.000 0.477 125 A N 1.243 124.054 122.820 -0.015 0.000 2.076 125 A HA -0.124 4.196 4.320 -0.000 0.000 0.220 125 A C 2.303 179.801 177.584 -0.144 0.000 1.160 125 A CA 1.942 53.947 52.037 -0.054 0.000 0.653 125 A CB -1.018 17.997 19.000 0.025 0.000 0.801 125 A HN 0.653 nan 8.150 nan 0.000 0.455 126 T N -2.949 111.484 114.554 -0.201 0.000 3.081 126 T HA 0.046 4.396 4.350 -0.000 0.000 0.255 126 T C 1.672 176.396 174.700 0.039 0.000 1.113 126 T CA 1.110 63.121 62.100 -0.148 0.000 1.082 126 T CB -0.113 68.723 68.868 -0.054 0.000 0.939 126 T HN 0.509 nan 8.240 nan 0.000 0.506 127 K N 1.942 122.385 120.400 0.071 0.000 2.097 127 K HA -0.174 4.146 4.320 -0.000 0.000 0.206 127 K C 2.312 178.948 176.600 0.060 0.000 1.049 127 K CA 1.749 58.102 56.287 0.110 0.000 0.933 127 K CB -0.168 32.394 32.500 0.104 0.000 0.717 127 K HN 0.739 nan 8.250 nan 0.000 0.442 128 E N -0.402 119.813 120.200 0.026 0.000 2.409 128 E HA -0.138 4.212 4.350 -0.000 0.000 0.198 128 E C 0.679 177.281 176.600 0.003 0.000 1.024 128 E CA 0.893 57.300 56.400 0.011 0.000 0.861 128 E CB -0.025 29.677 29.700 0.003 0.000 0.788 128 E HN 0.269 nan 8.360 nan 0.000 0.521 129 N N 0.660 119.364 118.700 0.007 0.000 2.280 129 N HA 0.144 4.884 4.740 -0.000 0.000 0.192 129 N C -0.137 175.368 175.510 -0.008 0.000 1.109 129 N CA 0.115 53.167 53.050 0.003 0.000 0.855 129 N CB 0.375 38.869 38.487 0.012 0.000 0.974 129 N HN 0.205 nan 8.380 nan 0.000 0.482 130 L N 1.935 123.154 121.223 -0.008 0.000 2.410 130 L HA 0.334 4.674 4.340 -0.000 0.000 0.273 130 L C 0.550 177.354 176.870 -0.111 0.000 1.152 130 L CA -0.211 54.590 54.840 -0.065 0.000 0.855 130 L CB 0.313 42.333 42.059 -0.064 0.000 1.129 130 L HN 0.063 nan 8.230 nan 0.000 0.463 131 I N 0.836 121.301 120.570 -0.176 0.000 3.174 131 I HA 0.725 4.895 4.170 -0.000 0.000 0.313 131 I C -0.863 175.073 176.117 -0.301 0.000 1.155 131 I CA -1.183 59.993 61.300 -0.207 0.000 0.977 131 I CB 2.350 40.235 38.000 -0.193 0.000 1.248 131 I HN 0.615 nan 8.210 nan 0.000 0.453 132 R N 3.004 123.326 120.500 -0.298 0.000 2.686 132 R HA 0.824 5.164 4.340 -0.000 0.000 0.286 132 R C -2.010 174.092 176.300 -0.329 0.000 0.969 132 R CA -0.912 54.968 56.100 -0.367 0.000 0.898 132 R CB 1.957 32.061 30.300 -0.326 0.000 1.183 132 R HN 0.737 nan 8.270 nan 0.000 0.456 133 L N 1.799 122.739 121.223 -0.472 0.000 2.346 133 L HA 0.487 4.827 4.340 -0.000 0.000 0.274 133 L C -0.478 176.348 176.870 -0.074 0.000 1.007 133 L CA -0.992 53.653 54.840 -0.324 0.000 0.818 133 L CB 2.583 44.282 42.059 -0.600 0.000 1.284 133 L HN 0.741 nan 8.230 nan 0.000 0.424 134 T N 3.907 118.525 114.554 0.107 0.000 2.772 134 T HA 0.569 4.919 4.350 -0.000 0.000 0.288 134 T C -0.160 174.627 174.700 0.145 0.000 0.994 134 T CA -0.210 62.002 62.100 0.185 0.000 0.951 134 T CB 0.717 69.756 68.868 0.285 0.000 0.933 134 T HN 0.269 nan 8.240 nan 0.000 0.447 135 I N 3.937 124.620 120.570 0.189 0.000 2.355 135 I HA 0.417 4.587 4.170 -0.000 0.000 0.288 135 I C 0.310 176.507 176.117 0.132 0.000 0.999 135 I CA -0.766 60.630 61.300 0.160 0.000 1.163 135 I CB 1.365 39.486 38.000 0.202 0.000 1.316 135 I HN 0.311 nan 8.210 nan 0.000 0.454 136 R N 6.139 126.700 120.500 0.102 0.000 2.265 136 R HA 0.479 4.819 4.340 -0.000 0.000 0.328 136 R C -0.911 175.429 176.300 0.068 0.000 0.969 136 R CA -0.556 55.590 56.100 0.077 0.000 0.832 136 R CB 1.493 31.833 30.300 0.067 0.000 1.139 136 R HN 0.571 nan 8.270 nan 0.000 0.457 137 Q N 1.549 121.382 119.800 0.056 0.000 2.310 137 Q HA 0.394 4.734 4.340 -0.000 0.000 0.270 137 Q C -0.808 175.211 176.000 0.032 0.000 1.025 137 Q CA -0.810 55.024 55.803 0.052 0.000 0.772 137 Q CB 2.515 31.290 28.738 0.062 0.000 1.253 137 Q HN 0.672 nan 8.270 nan 0.000 0.450 138 A N 1.541 124.378 122.820 0.029 0.000 2.561 138 A HA 0.382 4.702 4.320 -0.000 0.000 0.251 138 A C 1.298 178.887 177.584 0.009 0.000 1.062 138 A CA 1.133 53.180 52.037 0.017 0.000 0.761 138 A CB -0.727 18.283 19.000 0.017 0.000 0.986 138 A HN 1.116 nan 8.150 nan 0.000 0.510 139 G N 1.301 110.100 108.800 -0.002 0.000 2.179 139 G HA2 -0.199 3.760 3.960 -0.000 0.000 0.260 139 G HA3 -0.199 3.760 3.960 -0.000 0.000 0.260 139 G C 0.049 174.941 174.900 -0.013 0.000 0.977 139 G CA 0.476 45.571 45.100 -0.009 0.000 0.641 139 G HN 0.797 nan 8.290 nan 0.000 0.533 140 L N 0.453 121.670 121.223 -0.010 0.000 2.322 140 L HA 0.501 4.841 4.340 -0.000 0.000 0.269 140 L C -2.039 174.805 176.870 -0.042 0.000 1.012 140 L CA -2.476 52.355 54.840 -0.015 0.000 0.815 140 L CB 1.702 43.767 42.059 0.010 0.000 1.295 140 L HN -0.180 nan 8.230 nan 0.000 0.438 141 P HA 0.004 nan 4.420 nan 0.000 0.265 141 P C -0.615 176.619 177.300 -0.109 0.000 1.193 141 P CA 0.082 63.104 63.100 -0.131 0.000 0.765 141 P CB 0.323 31.937 31.700 -0.143 0.000 0.823 142 T N 4.075 118.528 114.554 -0.168 0.000 2.901 142 T HA 0.309 4.659 4.350 -0.000 0.000 0.301 142 T C 0.552 175.265 174.700 0.021 0.000 1.012 142 T CA 0.164 62.237 62.100 -0.044 0.000 1.135 142 T CB -0.154 68.714 68.868 -0.000 0.000 0.936 142 T HN 0.183 nan 8.240 nan 0.000 0.539 143 I N 3.230 123.904 120.570 0.174 0.000 2.441 143 I HA 0.428 4.598 4.170 -0.000 0.000 0.295 143 I C 0.199 176.554 176.117 0.396 0.000 0.994 143 I CA -0.756 60.698 61.300 0.257 0.000 1.144 143 I CB 1.593 39.708 38.000 0.192 0.000 1.314 143 I HN 0.330 nan 8.210 nan 0.000 0.445 144 K N 6.888 127.562 120.400 0.456 0.000 2.502 144 K HA 0.580 4.900 4.320 -0.000 0.000 0.254 144 K C -1.356 175.536 176.600 0.487 0.000 0.947 144 K CA -0.523 55.985 56.287 0.369 0.000 0.834 144 K CB 1.893 34.515 32.500 0.203 0.000 1.112 144 K HN 0.484 nan 8.250 nan 0.000 0.427 145 F N 0.758 120.758 119.950 0.084 0.000 2.645 145 F HA 0.591 5.118 4.527 -0.000 0.000 0.310 145 F C -1.408 174.347 175.800 -0.076 0.000 1.102 145 F CA -1.487 56.535 58.000 0.037 0.000 0.952 145 F CB 0.797 39.819 39.000 0.037 0.000 1.326 145 F HN 0.074 nan 8.300 nan 0.000 0.456 146 I N 2.003 122.510 120.570 -0.105 0.000 2.359 146 I HA 0.575 4.745 4.170 -0.000 0.000 0.294 146 I C 0.051 176.004 176.117 -0.274 0.000 0.987 146 I CA -0.164 60.919 61.300 -0.361 0.000 1.225 146 I CB 0.902 38.503 38.000 -0.664 0.000 1.366 146 I HN 0.874 nan 8.210 nan 0.000 0.466 147 T N 4.882 119.232 114.554 -0.341 0.000 2.843 147 T HA 0.361 4.711 4.350 -0.000 0.000 0.302 147 T C -0.710 173.904 174.700 -0.144 0.000 1.232 147 T CA -0.602 61.390 62.100 -0.180 0.000 1.009 147 T CB 1.479 70.276 68.868 -0.118 0.000 1.254 147 T HN 0.567 nan 8.240 nan 0.000 0.504 148 E N 1.493 121.659 120.200 -0.058 0.000 2.338 148 E HA 0.501 4.851 4.350 -0.000 0.000 0.272 148 E C 0.068 176.678 176.600 0.017 0.000 1.029 148 E CA -0.521 55.876 56.400 -0.005 0.000 0.872 148 E CB 0.936 30.665 29.700 0.048 0.000 1.015 148 E HN 0.731 nan 8.360 nan 0.000 0.417 149 A N 2.394 125.231 122.820 0.028 0.000 2.546 149 A HA 0.352 4.672 4.320 -0.000 0.000 0.243 149 A C 1.281 178.933 177.584 0.114 0.000 1.063 149 A CA 0.793 52.897 52.037 0.110 0.000 0.757 149 A CB -0.355 18.681 19.000 0.060 0.000 0.991 149 A HN 0.860 nan 8.150 nan 0.000 0.503 150 G N 1.326 110.239 108.800 0.189 0.000 2.213 150 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.226 150 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.226 150 G C 0.086 174.947 174.900 -0.065 0.000 0.992 150 G CA 0.118 45.136 45.100 -0.137 0.000 0.632 150 G HN 0.813 nan 8.290 nan 0.000 0.511 151 I N 1.993 122.629 120.570 0.110 0.000 2.392 151 I HA 0.437 4.606 4.170 -0.000 0.000 0.295 151 I C 1.757 178.020 176.117 0.242 0.000 0.985 151 I CA -0.829 60.521 61.300 0.082 0.000 1.221 151 I CB 1.494 39.486 38.000 -0.014 0.000 1.366 151 I HN 0.233 nan 8.210 nan 0.000 0.467 152 I N 1.803 122.461 120.570 0.145 0.000 3.728 152 I HA 0.423 4.593 4.170 -0.000 0.000 0.307 152 I C 0.606 176.734 176.117 0.019 0.000 1.276 152 I CA 0.092 61.495 61.300 0.171 0.000 1.285 152 I CB 0.146 38.157 38.000 0.017 0.000 1.038 152 I HN 0.519 nan 8.210 nan 0.000 0.445 153 G N 0.893 109.671 108.800 -0.038 0.000 2.753 153 G HA2 0.536 4.496 3.960 -0.000 0.000 0.295 153 G HA3 0.536 4.496 3.960 -0.000 0.000 0.295 153 G C -1.141 173.674 174.900 -0.142 0.000 1.437 153 G CA -0.409 44.472 45.100 -0.365 0.000 1.094 153 G HN 0.097 nan 8.290 nan 0.000 0.540 154 K N 0.647 120.911 120.400 -0.226 0.000 1.913 154 K HA 0.631 4.951 4.320 -0.000 0.000 0.313 154 K C -1.134 175.425 176.600 -0.069 0.000 0.964 154 K CA -0.099 56.143 56.287 -0.074 0.000 0.551 154 K CB 0.575 33.139 32.500 0.107 0.000 3.484 154 K HN 0.480 nan 8.250 nan 0.000 1.238 155 V N 1.350 121.331 119.914 0.112 0.000 2.378 155 V HA 0.834 4.953 4.120 -0.000 0.000 0.288 155 V C 0.076 176.344 176.094 0.290 0.000 1.016 155 V CA 0.257 62.654 62.300 0.163 0.000 0.840 155 V CB 0.598 32.540 31.823 0.197 0.000 0.994 155 V HN 0.828 nan 8.190 nan 0.000 0.431 156 G N 4.295 113.288 108.800 0.322 0.000 2.364 156 G HA2 0.621 4.581 3.960 -0.000 0.000 0.286 156 G HA3 0.621 4.581 3.960 -0.000 0.000 0.286 156 G C -1.615 173.530 174.900 0.408 0.000 1.241 156 G CA -0.057 45.310 45.100 0.445 0.000 0.887 156 G HN 0.913 nan 8.290 nan 0.000 0.484 157 F N -0.230 119.838 119.950 0.197 0.000 2.754 157 F HA 0.890 5.416 4.527 -0.000 0.000 0.320 157 F C -1.009 174.952 175.800 0.268 0.000 1.156 157 F CA -2.113 55.949 58.000 0.104 0.000 0.950 157 F CB 0.883 39.891 39.000 0.013 0.000 1.388 157 F HN 0.875 nan 8.300 nan 0.000 0.485 158 N N -1.360 117.351 118.700 0.019 0.000 2.629 158 N HA 0.381 5.121 4.740 -0.000 0.000 0.279 158 N C -0.036 175.032 175.510 -0.736 0.000 1.344 158 N CA -0.174 52.752 53.050 -0.206 0.000 0.789 158 N CB 1.046 39.452 38.487 -0.136 0.000 1.508 158 N HN 0.649 nan 8.380 nan 0.000 0.516 159 S N -2.023 112.980 115.700 -1.162 0.000 2.507 159 S HA 0.018 4.487 4.470 -0.000 0.000 0.235 159 S C 1.421 175.685 174.600 -0.561 0.000 0.988 159 S CA 0.466 57.854 58.200 -1.354 0.000 0.944 159 S CB -0.711 61.828 63.200 -1.102 0.000 0.762 159 S HN 0.784 nan 8.310 nan 0.000 0.526 160 A N 0.806 123.416 122.820 -0.349 0.000 2.251 160 A HA 0.573 4.893 4.320 -0.000 0.000 0.209 160 A C 1.790 179.322 177.584 -0.085 0.000 1.187 160 A CA 0.465 52.400 52.037 -0.170 0.000 0.823 160 A CB -1.042 17.889 19.000 -0.116 0.000 0.846 160 A HN 1.420 nan 8.150 nan 0.000 0.486 161 G N -1.543 107.209 108.800 -0.080 0.000 2.176 161 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.253 161 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.253 161 G C 0.202 175.185 174.900 0.137 0.000 0.979 161 G CA 0.127 45.283 45.100 0.094 0.000 0.641 161 G HN 0.766 nan 8.290 nan 0.000 0.530 162 V N 1.203 121.146 119.914 0.048 0.000 2.470 162 V HA 0.576 4.696 4.120 -0.000 0.000 0.276 162 V C 0.792 176.913 176.094 0.044 0.000 1.040 162 V CA 0.462 62.785 62.300 0.039 0.000 1.008 162 V CB 1.093 32.917 31.823 0.001 0.000 0.990 162 V HN 1.206 nan 8.190 nan 0.000 0.477 163 A N 5.512 128.313 122.820 -0.031 0.000 2.343 163 A HA 0.843 5.163 4.320 -0.000 0.000 0.316 163 A C -0.849 176.567 177.584 -0.280 0.000 1.104 163 A CA -0.521 51.302 52.037 -0.356 0.000 0.768 163 A CB 1.650 20.126 19.000 -0.873 0.000 1.213 163 A HN 0.611 nan 8.150 nan 0.000 0.456 164 V N 2.820 122.608 119.914 -0.210 0.000 2.604 164 V HA 0.459 4.579 4.120 -0.000 0.000 0.305 164 V C -0.259 175.893 176.094 0.097 0.000 1.043 164 V CA -0.637 61.625 62.300 -0.063 0.000 0.888 164 V CB 1.822 33.602 31.823 -0.071 0.000 0.995 164 V HN 1.038 nan 8.190 nan 0.000 0.429 165 N N 1.852 120.609 118.700 0.096 0.000 2.380 165 N HA 0.728 5.468 4.740 -0.000 0.000 0.290 165 N C -1.871 173.745 175.510 0.176 0.000 1.236 165 N CA -0.653 52.507 53.050 0.183 0.000 0.780 165 N CB 2.485 41.115 38.487 0.238 0.000 1.438 165 N HN 0.722 nan 8.380 nan 0.000 0.491 166 Y N 0.557 120.902 120.300 0.075 0.000 2.441 166 Y HA 0.509 5.059 4.550 -0.000 0.000 0.334 166 Y C -1.888 174.162 175.900 0.250 0.000 1.061 166 Y CA -0.704 57.437 58.100 0.069 0.000 1.032 166 Y CB 1.295 39.710 38.460 -0.074 0.000 1.266 166 Y HN 0.572 nan 8.280 nan 0.000 0.441 167 N N 3.303 121.874 118.700 -0.215 0.000 2.249 167 N HA 0.680 5.420 4.740 -0.000 0.000 0.296 167 N C -1.200 174.054 175.510 -0.428 0.000 1.051 167 N CA -0.589 52.403 53.050 -0.097 0.000 0.815 167 N CB 2.107 40.613 38.487 0.031 0.000 1.487 167 N HN 0.778 nan 8.380 nan 0.000 0.475 168 A N 1.237 123.905 122.820 -0.253 0.000 2.540 168 A HA 0.395 4.715 4.320 -0.000 0.000 0.239 168 A C -0.451 176.881 177.584 -0.420 0.000 1.061 168 A CA 0.415 52.238 52.037 -0.355 0.000 0.758 168 A CB -0.201 18.622 19.000 -0.294 0.000 0.991 168 A HN 0.610 nan 8.150 nan 0.000 0.502 169 L N 1.557 122.447 121.223 -0.555 0.000 2.393 169 L HA 0.507 4.847 4.340 -0.000 0.000 0.260 169 L C -0.150 176.376 176.870 -0.574 0.000 1.002 169 L CA -0.238 54.328 54.840 -0.455 0.000 0.818 169 L CB 1.995 43.861 42.059 -0.322 0.000 1.369 169 L HN 0.743 nan 8.230 nan 0.000 0.412 170 H N 4.605 123.615 119.070 -0.099 0.000 2.505 170 H HA 0.344 4.900 4.556 -0.000 0.000 0.260 170 H C -0.602 174.719 175.328 -0.012 0.000 1.168 170 H CA -0.229 55.798 56.048 -0.035 0.000 0.945 170 H CB 0.272 30.027 29.762 -0.011 0.000 1.800 170 H HN 0.289 nan 8.280 nan 0.000 0.586 171 L N 1.343 122.570 121.223 0.007 0.000 2.439 171 L HA 0.101 4.440 4.340 -0.000 0.000 0.269 171 L C 0.970 177.873 176.870 0.054 0.000 1.179 171 L CA 0.067 54.908 54.840 0.001 0.000 0.828 171 L CB 0.966 42.978 42.059 -0.077 0.000 1.106 171 L HN 0.219 nan 8.230 nan 0.000 0.467 172 Q N 1.441 121.279 119.800 0.062 0.000 2.293 172 Q HA 0.533 4.873 4.340 -0.000 0.000 0.251 172 Q C -0.262 175.785 176.000 0.078 0.000 0.930 172 Q CA 0.225 56.076 55.803 0.081 0.000 0.893 172 Q CB 1.307 30.088 28.738 0.071 0.000 1.215 172 Q HN 0.800 nan 8.270 nan 0.000 0.425 173 G N 1.688 110.539 108.800 0.086 0.000 2.348 173 G HA2 0.222 4.181 3.960 -0.000 0.000 0.606 173 G HA3 0.222 4.181 3.960 -0.000 0.000 0.606 173 G C -2.425 172.524 174.900 0.082 0.000 1.466 173 G CA -0.674 44.473 45.100 0.078 0.000 0.950 173 G HN 0.663 nan 8.290 nan 0.000 0.657 174 L N 0.708 121.968 121.223 0.062 0.000 2.438 174 L HA 0.913 5.253 4.340 -0.000 0.000 0.270 174 L C -0.181 176.712 176.870 0.039 0.000 0.972 174 L CA -0.897 53.972 54.840 0.048 0.000 0.831 174 L CB 1.955 44.022 42.059 0.013 0.000 1.273 174 L HN 0.811 nan 8.230 nan 0.000 0.405 175 R N 6.084 126.613 120.500 0.049 0.000 2.358 175 R HA 0.520 4.859 4.340 -0.000 0.000 0.309 175 R C -2.161 174.164 176.300 0.043 0.000 1.026 175 R CA -1.503 54.624 56.100 0.044 0.000 0.909 175 R CB 1.501 31.834 30.300 0.056 0.000 1.153 175 R HN 0.422 nan 8.270 nan 0.000 0.515 176 P HA -0.059 nan 4.420 nan 0.000 0.222 176 P C 0.405 177.740 177.300 0.057 0.000 1.147 176 P CA 1.133 64.245 63.100 0.020 0.000 0.790 176 P CB 0.413 32.110 31.700 -0.005 0.000 0.780 177 T N -1.484 113.100 114.554 0.050 0.000 3.148 177 T HA 0.144 4.494 4.350 -0.000 0.000 0.253 177 T C 1.163 175.922 174.700 0.100 0.000 1.134 177 T CA 0.434 62.565 62.100 0.051 0.000 1.051 177 T CB -0.429 68.447 68.868 0.014 0.000 0.959 177 T HN 0.118 nan 8.240 nan 0.000 0.525 178 G N 1.382 110.257 108.800 0.124 0.000 2.588 178 G HA2 0.458 4.418 3.960 -0.000 0.000 0.281 178 G HA3 0.458 4.418 3.960 -0.000 0.000 0.281 178 G C -0.138 174.921 174.900 0.265 0.000 1.236 178 G CA -0.645 44.548 45.100 0.155 0.000 0.969 178 G HN 0.328 nan 8.290 nan 0.000 0.504 179 V N -1.097 118.935 119.914 0.196 0.000 2.408 179 V HA 0.419 4.539 4.120 -0.000 0.000 0.267 179 V C -2.322 173.735 176.094 -0.062 0.000 1.047 179 V CA -2.195 60.140 62.300 0.059 0.000 0.937 179 V CB 0.824 32.605 31.823 -0.069 0.000 0.999 179 V HN 0.405 nan 8.190 nan 0.000 0.472 180 P HA 0.188 nan 4.420 nan 0.000 0.267 180 P C 1.004 178.291 177.300 -0.022 0.000 1.200 180 P CA 0.199 63.304 63.100 0.008 0.000 0.772 180 P CB 0.796 32.511 31.700 0.026 0.000 0.855 181 S N 1.232 117.006 115.700 0.122 0.000 2.374 181 S HA -0.223 4.247 4.470 -0.000 0.000 0.227 181 S C 1.399 175.930 174.600 -0.115 0.000 1.037 181 S CA 1.656 59.929 58.200 0.122 0.000 1.024 181 S CB -1.023 62.395 63.200 0.364 0.000 0.861 181 S HN 0.634 nan 8.310 nan 0.000 0.456 182 H N 0.498 119.501 119.070 -0.111 0.000 2.470 182 H HA 0.171 4.727 4.556 -0.000 0.000 0.289 182 H C 1.890 177.043 175.328 -0.292 0.000 1.033 182 H CA 0.765 56.679 56.048 -0.224 0.000 1.331 182 H CB -0.067 29.582 29.762 -0.188 0.000 1.414 182 H HN 0.252 nan 8.280 nan 0.000 0.545 183 I N 0.429 120.867 120.570 -0.221 0.000 2.252 183 I HA -0.165 4.005 4.170 -0.000 0.000 0.245 183 I C 2.503 178.361 176.117 -0.432 0.000 1.102 183 I CA 1.175 62.208 61.300 -0.446 0.000 1.385 183 I CB -1.279 36.348 38.000 -0.623 0.000 1.064 183 I HN 0.264 nan 8.210 nan 0.000 0.414 184 A N 1.053 123.671 122.820 -0.335 0.000 1.940 184 A HA -0.167 4.153 4.320 -0.000 0.000 0.219 184 A C 2.413 179.861 177.584 -0.226 0.000 1.176 184 A CA 1.292 53.169 52.037 -0.267 0.000 0.631 184 A CB -0.811 18.035 19.000 -0.256 0.000 0.814 184 A HN 0.391 nan 8.150 nan 0.000 0.446 185 L N -1.322 119.750 121.223 -0.251 0.000 2.046 185 L HA -0.191 4.148 4.340 -0.000 0.000 0.208 185 L C 2.780 179.464 176.870 -0.311 0.000 1.077 185 L CA 1.723 56.405 54.840 -0.264 0.000 0.747 185 L CB -0.406 41.447 42.059 -0.345 0.000 0.896 185 L HN 0.366 nan 8.230 nan 0.000 0.432 186 R N 0.850 121.117 120.500 -0.390 0.000 2.075 186 R HA -0.114 4.225 4.340 -0.000 0.000 0.232 186 R C 2.053 178.189 176.300 -0.273 0.000 1.126 186 R CA 1.525 57.357 56.100 -0.446 0.000 0.963 186 R CB -0.614 29.277 30.300 -0.681 0.000 0.858 186 R HN 0.262 nan 8.270 nan 0.000 0.435 187 I N 0.335 120.781 120.570 -0.207 0.000 2.163 187 I HA -0.302 3.868 4.170 -0.000 0.000 0.243 187 I C 2.308 178.397 176.117 -0.046 0.000 1.085 187 I CA 1.536 62.812 61.300 -0.040 0.000 1.347 187 I CB -0.501 37.473 38.000 -0.044 0.000 1.044 187 I HN 0.306 nan 8.210 nan 0.000 0.408 188 A N 0.821 123.592 122.820 -0.081 0.000 1.883 188 A HA -0.181 4.139 4.320 -0.000 0.000 0.217 188 A C 2.260 179.805 177.584 -0.066 0.000 1.186 188 A CA 1.522 53.530 52.037 -0.049 0.000 0.624 188 A CB -0.940 18.020 19.000 -0.065 0.000 0.822 188 A HN 0.418 nan 8.150 nan 0.000 0.444 189 L N -0.797 120.351 121.223 -0.125 0.000 2.362 189 L HA -0.124 4.216 4.340 -0.000 0.000 0.219 189 L C 2.027 178.849 176.870 -0.079 0.000 1.134 189 L CA 1.039 55.802 54.840 -0.128 0.000 0.807 189 L CB -0.306 41.597 42.059 -0.259 0.000 0.927 189 L HN 0.469 nan 8.230 nan 0.000 0.447 190 E N -1.069 119.101 120.200 -0.050 0.000 2.479 190 E HA 0.076 4.426 4.350 -0.000 0.000 0.193 190 E C 0.428 177.024 176.600 -0.006 0.000 1.049 190 E CA -0.229 56.167 56.400 -0.008 0.000 0.870 190 E CB 0.471 30.202 29.700 0.051 0.000 0.944 190 E HN 0.282 nan 8.360 nan 0.000 0.492 191 S N 0.293 115.988 115.700 -0.009 0.000 2.632 191 S HA 0.066 4.536 4.470 -0.000 0.000 0.271 191 S C 1.209 175.802 174.600 -0.011 0.000 1.260 191 S CA -0.324 57.877 58.200 0.002 0.000 1.010 191 S CB 1.406 64.620 63.200 0.024 0.000 0.965 191 S HN 0.273 nan 8.310 nan 0.000 0.534 192 T N -1.769 112.780 114.554 -0.008 0.000 3.086 192 T HA 0.256 4.606 4.350 -0.000 0.000 0.250 192 T C 0.454 175.150 174.700 -0.006 0.000 1.074 192 T CA 0.118 62.205 62.100 -0.021 0.000 0.988 192 T CB -0.284 68.569 68.868 -0.026 0.000 0.988 192 T HN 0.613 nan 8.240 nan 0.000 0.530 193 S N -0.469 115.243 115.700 0.020 0.000 2.565 193 S HA 0.525 4.995 4.470 -0.000 0.000 0.269 193 S C -2.938 171.714 174.600 0.086 0.000 1.153 193 S CA -1.204 57.021 58.200 0.041 0.000 0.835 193 S CB 1.662 64.885 63.200 0.037 0.000 1.122 193 S HN -0.172 nan 8.310 nan 0.000 0.462 194 P HA -0.105 nan 4.420 nan 0.000 0.217 194 P C 1.820 179.305 177.300 0.309 0.000 1.150 194 P CA 2.002 65.242 63.100 0.234 0.000 0.832 194 P CB -0.082 31.730 31.700 0.188 0.000 0.787 195 S N -0.658 115.135 115.700 0.156 0.000 2.383 195 S HA -0.251 4.219 4.470 -0.000 0.000 0.227 195 S C 2.215 176.873 174.600 0.095 0.000 1.026 195 S CA 1.164 59.410 58.200 0.077 0.000 0.981 195 S CB -1.256 61.963 63.200 0.032 0.000 0.818 195 S HN 0.154 nan 8.310 nan 0.000 0.472 196 Q N 1.100 120.951 119.800 0.085 0.000 2.079 196 Q HA -0.012 4.328 4.340 -0.000 0.000 0.200 196 Q C 2.318 178.364 176.000 0.076 0.000 0.974 196 Q CA 1.300 57.140 55.803 0.062 0.000 0.840 196 Q CB -0.610 28.152 28.738 0.039 0.000 0.898 196 Q HN 0.729 nan 8.270 nan 0.000 0.430 197 A N 0.205 123.103 122.820 0.131 0.000 1.883 197 A HA -0.245 4.075 4.320 -0.000 0.000 0.217 197 A C 1.909 179.591 177.584 0.164 0.000 1.186 197 A CA 1.576 53.708 52.037 0.159 0.000 0.624 197 A CB -1.216 17.916 19.000 0.221 0.000 0.822 197 A HN 0.695 nan 8.150 nan 0.000 0.444 198 Y N 1.345 121.651 120.300 0.009 0.000 2.097 198 Y HA -0.290 4.260 4.550 -0.000 0.000 0.282 198 Y C 1.991 177.773 175.900 -0.197 0.000 1.152 198 Y CA 2.293 60.181 58.100 -0.354 0.000 1.136 198 Y CB -0.375 37.541 38.460 -0.906 0.000 0.975 198 Y HN 0.376 nan 8.280 nan 0.000 0.498 199 D N -0.059 120.292 120.400 -0.082 0.000 2.116 199 D HA -0.194 4.446 4.640 -0.000 0.000 0.193 199 D C 2.284 178.481 176.300 -0.171 0.000 0.998 199 D CA 1.811 55.731 54.000 -0.134 0.000 0.836 199 D CB -0.382 40.416 40.800 -0.003 0.000 0.951 199 D HN 0.418 nan 8.370 nan 0.000 0.449 200 R N -0.071 120.373 120.500 -0.092 0.000 2.115 200 R HA 0.038 4.377 4.340 -0.000 0.000 0.230 200 R C 2.532 178.778 176.300 -0.090 0.000 1.111 200 R CA 0.484 56.549 56.100 -0.059 0.000 0.976 200 R CB -0.134 30.160 30.300 -0.009 0.000 0.870 200 R HN 0.252 nan 8.270 nan 0.000 0.445 201 I N -0.070 120.409 120.570 -0.151 0.000 2.202 201 I HA -0.230 3.940 4.170 -0.000 0.000 0.242 201 I C 2.119 178.089 176.117 -0.244 0.000 1.091 201 I CA 1.021 62.207 61.300 -0.190 0.000 1.368 201 I CB -0.133 37.749 38.000 -0.195 0.000 1.058 201 I HN -0.040 nan 8.210 nan 0.000 0.410 202 V N 0.640 120.325 119.914 -0.382 0.000 2.490 202 V HA -0.262 3.858 4.120 -0.000 0.000 0.250 202 V C 2.222 178.201 176.094 -0.192 0.000 1.061 202 V CA 1.727 63.812 62.300 -0.358 0.000 1.064 202 V CB -0.637 30.842 31.823 -0.574 0.000 0.670 202 V HN 0.425 nan 8.190 nan 0.000 0.461 203 E N -0.387 119.722 120.200 -0.151 0.000 2.265 203 E HA -0.214 4.136 4.350 -0.000 0.000 0.196 203 E C 2.191 178.778 176.600 -0.021 0.000 0.996 203 E CA 0.683 57.041 56.400 -0.071 0.000 0.832 203 E CB -0.039 29.633 29.700 -0.046 0.000 0.756 203 E HN 0.577 nan 8.360 nan 0.000 0.491 204 Q N -0.856 118.943 119.800 -0.002 0.000 2.369 204 Q HA -0.036 4.304 4.340 -0.000 0.000 0.206 204 Q C 1.460 177.486 176.000 0.044 0.000 0.963 204 Q CA 1.049 56.899 55.803 0.080 0.000 0.894 204 Q CB 0.315 29.141 28.738 0.146 0.000 0.965 204 Q HN 0.422 nan 8.270 nan 0.000 0.475 205 G N -0.157 108.637 108.800 -0.011 0.000 2.136 205 G HA2 -0.110 3.849 3.960 -0.000 0.000 0.242 205 G HA3 -0.110 3.849 3.960 -0.000 0.000 0.242 205 G C 0.380 175.280 174.900 -0.001 0.000 0.989 205 G CA 0.493 45.586 45.100 -0.011 0.000 0.682 205 G HN 0.818 nan 8.290 nan 0.000 0.522 206 G N -1.383 107.411 108.800 -0.010 0.000 2.307 206 G HA2 0.506 4.466 3.960 -0.000 0.000 0.348 206 G HA3 0.506 4.466 3.960 -0.000 0.000 0.348 206 G C -0.545 174.349 174.900 -0.009 0.000 1.603 206 G CA -0.238 44.858 45.100 -0.006 0.000 0.961 206 G HN 0.710 nan 8.290 nan 0.000 0.686 207 M N 1.306 120.890 119.600 -0.028 0.000 2.288 207 M HA 0.596 5.075 4.480 -0.000 0.000 0.334 207 M C 1.607 177.947 176.300 0.067 0.000 1.150 207 M CA -0.241 55.031 55.300 -0.048 0.000 1.118 207 M CB 0.963 33.494 32.600 -0.114 0.000 1.501 207 M HN 1.139 nan 8.290 nan 0.000 0.462 208 A N 1.269 124.141 122.820 0.088 0.000 1.970 208 A HA 0.438 4.757 4.320 -0.000 0.000 0.216 208 A C 1.091 178.756 177.584 0.135 0.000 1.170 208 A CA 1.660 53.763 52.037 0.109 0.000 0.645 208 A CB -0.056 19.008 19.000 0.107 0.000 0.816 208 A HN 0.901 nan 8.150 nan 0.000 0.447 209 A N -1.968 120.976 122.820 0.208 0.000 4.431 209 A HA 0.694 5.014 4.320 -0.000 0.000 0.247 209 A C -0.231 177.532 177.584 0.298 0.000 0.974 209 A CA 0.390 52.556 52.037 0.215 0.000 0.633 209 A CB -0.031 19.087 19.000 0.198 0.000 1.698 209 A HN 0.592 nan 8.150 nan 0.000 0.843 210 S N -1.239 114.570 115.700 0.183 0.000 2.513 210 S HA 0.816 5.286 4.470 -0.000 0.000 0.299 210 S C -0.467 173.980 174.600 -0.255 0.000 1.087 210 S CA 0.420 58.596 58.200 -0.041 0.000 1.012 210 S CB 1.233 64.391 63.200 -0.069 0.000 1.044 210 S HN 2.306 nan 8.310 nan 0.000 0.485 211 A N 2.812 125.117 122.820 -0.858 0.000 2.438 211 A HA 0.713 5.033 4.320 -0.000 0.000 0.301 211 A C -2.119 174.820 177.584 -1.076 0.000 1.101 211 A CA -0.697 50.859 52.037 -0.801 0.000 0.621 211 A CB 0.394 19.142 19.000 -0.420 0.000 1.350 211 A HN 1.125 nan 8.150 nan 0.000 0.496 212 F N 0.282 119.725 119.950 -0.846 0.000 2.540 212 F HA 0.836 5.363 4.527 -0.000 0.000 0.317 212 F C -1.094 174.487 175.800 -0.366 0.000 1.104 212 F CA -0.796 56.832 58.000 -0.620 0.000 0.913 212 F CB 1.241 39.801 39.000 -0.734 0.000 1.170 212 F HN 0.481 nan 8.300 nan 0.000 0.450 213 I N 7.134 127.140 120.570 -0.939 0.000 2.498 213 I HA 0.417 4.587 4.170 -0.000 0.000 0.290 213 I C -0.847 174.629 176.117 -1.069 0.000 1.032 213 I CA -0.773 60.160 61.300 -0.613 0.000 1.073 213 I CB 2.111 40.049 38.000 -0.104 0.000 1.251 213 I HN 0.661 nan 8.210 nan 0.000 0.426 214 M N 6.912 126.116 119.600 -0.660 0.000 2.364 214 M HA 0.660 5.140 4.480 -0.000 0.000 0.334 214 M C -1.847 174.177 176.300 -0.459 0.000 1.107 214 M CA -0.584 54.405 55.300 -0.518 0.000 0.988 214 M CB 1.829 34.397 32.600 -0.054 0.000 1.673 214 M HN 0.330 nan 8.290 nan 0.000 0.441 215 V N 3.722 123.180 119.914 -0.761 0.000 2.588 215 V HA 0.926 5.046 4.120 -0.000 0.000 0.304 215 V C 0.041 175.894 176.094 -0.402 0.000 1.042 215 V CA -0.575 61.393 62.300 -0.554 0.000 0.877 215 V CB 1.597 33.047 31.823 -0.621 0.000 0.996 215 V HN 1.015 nan 8.190 nan 0.000 0.425 216 G N 3.158 111.865 108.800 -0.155 0.000 2.690 216 G HA2 0.739 4.699 3.960 -0.000 0.000 0.291 216 G HA3 0.739 4.699 3.960 -0.000 0.000 0.291 216 G C -1.367 173.514 174.900 -0.031 0.000 1.403 216 G CA -0.596 44.448 45.100 -0.093 0.000 0.864 216 G HN 0.777 nan 8.290 nan 0.000 0.480 217 N N -1.776 116.836 118.700 -0.147 0.000 3.439 217 N HA 0.521 5.261 4.740 -0.000 0.000 0.343 217 N C 1.342 176.510 175.510 -0.569 0.000 1.597 217 N CA 0.052 52.917 53.050 -0.308 0.000 0.733 217 N CB 0.387 38.853 38.487 -0.035 0.000 1.973 217 N HN 0.709 nan 8.380 nan 0.000 0.646 218 G N -1.694 106.941 108.800 -0.275 0.000 2.509 218 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.218 218 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.218 218 G C 0.989 175.935 174.900 0.077 0.000 1.124 218 G CA 0.793 45.849 45.100 -0.073 0.000 0.776 218 G HN 0.781 nan 8.290 nan 0.000 0.547 219 H N 0.426 119.489 119.070 -0.012 0.000 2.506 219 H HA 0.177 4.732 4.556 -0.000 0.000 0.289 219 H C 0.324 175.666 175.328 0.023 0.000 1.009 219 H CA 1.040 57.099 56.048 0.018 0.000 1.303 219 H CB 0.730 30.494 29.762 0.002 0.000 1.453 219 H HN 0.542 nan 8.280 nan 0.000 0.526 220 E N 0.034 120.187 120.200 -0.079 0.000 2.412 220 E HA 0.646 4.996 4.350 -0.000 0.000 0.279 220 E C -1.801 174.636 176.600 -0.272 0.000 0.984 220 E CA -1.136 55.150 56.400 -0.190 0.000 0.788 220 E CB 2.334 31.987 29.700 -0.079 0.000 1.277 220 E HN 0.178 nan 8.360 nan 0.000 0.455 221 A N 1.229 123.816 122.820 -0.389 0.000 2.606 221 A HA 0.804 5.124 4.320 -0.000 0.000 0.293 221 A C -1.629 175.862 177.584 -0.155 0.000 1.082 221 A CA -0.798 50.966 52.037 -0.456 0.000 0.685 221 A CB 1.090 19.411 19.000 -1.132 0.000 1.284 221 A HN 0.786 nan 8.150 nan 0.000 0.408 222 F N -0.612 119.222 119.950 -0.194 0.000 2.626 222 F HA 0.885 5.412 4.527 0.000 0.000 0.311 222 F C 0.067 175.824 175.800 -0.071 0.000 1.088 222 F CA -0.548 57.381 58.000 -0.119 0.000 0.949 222 F CB 1.313 40.236 39.000 -0.127 0.000 1.322 222 F HN 0.899 nan 8.300 nan 0.000 0.461 223 G N 1.703 110.584 108.800 0.135 0.000 2.454 223 G HA2 0.694 4.654 3.960 -0.000 0.000 0.329 223 G HA3 0.694 4.654 3.960 -0.000 0.000 0.329 223 G C -2.077 172.928 174.900 0.174 0.000 1.177 223 G CA -1.126 43.951 45.100 -0.037 0.000 0.951 223 G HN 0.827 nan 8.290 nan 0.000 0.485 224 L N 0.983 122.120 121.223 -0.143 0.000 2.406 224 L HA 0.391 4.731 4.340 -0.000 0.000 0.272 224 L C -0.469 176.509 176.870 0.180 0.000 0.980 224 L CA -0.554 54.405 54.840 0.199 0.000 0.831 224 L CB 2.305 44.583 42.059 0.366 0.000 1.253 224 L HN 0.534 nan 8.230 nan 0.000 0.406 225 E N 4.189 124.581 120.200 0.320 0.000 2.156 225 E HA 0.545 4.895 4.350 -0.000 0.000 0.279 225 E C -1.334 175.463 176.600 0.329 0.000 0.965 225 E CA -0.431 56.124 56.400 0.259 0.000 0.789 225 E CB 1.687 31.629 29.700 0.403 0.000 1.098 225 E HN 0.330 nan 8.360 nan 0.000 0.397 226 F N -0.061 119.984 119.950 0.158 0.000 2.643 226 F HA 0.718 5.245 4.527 -0.000 0.000 0.314 226 F C -0.430 175.415 175.800 0.074 0.000 1.096 226 F CA -1.011 57.068 58.000 0.131 0.000 0.953 226 F CB 1.220 40.269 39.000 0.081 0.000 1.345 226 F HN 0.328 nan 8.300 nan 0.000 0.468 227 S N -0.588 115.311 115.700 0.331 0.000 2.720 227 S HA 0.652 5.122 4.470 -0.000 0.000 0.287 227 S C -2.767 171.975 174.600 0.237 0.000 1.168 227 S CA -1.587 56.750 58.200 0.228 0.000 0.832 227 S CB 1.716 64.983 63.200 0.111 0.000 1.166 227 S HN 0.372 nan 8.310 nan 0.000 0.493 228 P HA 0.040 nan 4.420 nan 0.000 0.225 228 P C 0.845 178.208 177.300 0.105 0.000 1.148 228 P CA 1.403 64.577 63.100 0.124 0.000 0.779 228 P CB -0.227 31.531 31.700 0.098 0.000 0.780 229 T N -6.550 108.072 114.554 0.114 0.000 3.200 229 T HA 0.363 4.712 4.350 -0.000 0.000 0.284 229 T C 0.218 174.995 174.700 0.127 0.000 1.009 229 T CA -0.366 61.795 62.100 0.101 0.000 0.907 229 T CB -0.180 68.738 68.868 0.084 0.000 1.120 229 T HN -0.087 nan 8.240 nan 0.000 0.534 230 S N 0.573 116.375 115.700 0.170 0.000 2.592 230 S HA 0.662 5.132 4.470 -0.000 0.000 0.275 230 S C -1.803 172.957 174.600 0.265 0.000 1.169 230 S CA -0.765 57.571 58.200 0.227 0.000 0.958 230 S CB 0.805 64.216 63.200 0.351 0.000 1.095 230 S HN 0.415 nan 8.310 nan 0.000 0.471 231 I N 4.919 125.611 120.570 0.203 0.000 2.468 231 I HA 0.559 4.729 4.170 -0.000 0.000 0.285 231 I C -0.478 175.727 176.117 0.147 0.000 1.039 231 I CA -0.717 60.709 61.300 0.210 0.000 1.074 231 I CB 1.612 39.681 38.000 0.115 0.000 1.228 231 I HN 0.360 nan 8.210 nan 0.000 0.436 232 R N 4.733 125.327 120.500 0.157 0.000 2.599 232 R HA 0.466 4.806 4.340 -0.000 0.000 0.295 232 R C -0.783 175.599 176.300 0.136 0.000 0.963 232 R CA -0.951 55.174 56.100 0.042 0.000 0.883 232 R CB 2.596 32.762 30.300 -0.224 0.000 1.171 232 R HN 0.514 nan 8.270 nan 0.000 0.450 233 K N 2.065 122.531 120.400 0.109 0.000 2.211 233 K HA 0.170 4.490 4.320 -0.000 0.000 0.275 233 K C -0.596 176.078 176.600 0.124 0.000 1.024 233 K CA -0.321 56.050 56.287 0.140 0.000 0.887 233 K CB 1.370 33.889 32.500 0.032 0.000 1.084 233 K HN 0.471 nan 8.250 nan 0.000 0.463 234 Q N 3.435 123.356 119.800 0.202 0.000 2.243 234 Q HA 0.341 4.680 4.340 -0.000 0.000 0.252 234 Q C -0.751 175.336 176.000 0.146 0.000 0.909 234 Q CA -0.818 55.099 55.803 0.190 0.000 0.922 234 Q CB 1.334 30.255 28.738 0.303 0.000 1.215 234 Q HN 0.538 nan 8.270 nan 0.000 0.427 235 V N 1.000 120.968 119.914 0.091 0.000 3.113 235 V HA 0.548 4.668 4.120 -0.000 0.000 0.316 235 V C -0.265 175.859 176.094 0.050 0.000 1.125 235 V CA -1.255 61.074 62.300 0.048 0.000 1.026 235 V CB 1.287 33.114 31.823 0.008 0.000 1.080 235 V HN 0.797 nan 8.190 nan 0.000 0.444 236 L N 2.735 123.970 121.223 0.021 0.000 2.525 236 L HA 0.220 4.560 4.340 -0.000 0.000 0.278 236 L C 0.639 177.542 176.870 0.055 0.000 1.218 236 L CA 0.006 54.873 54.840 0.046 0.000 0.878 236 L CB -0.025 42.054 42.059 0.034 0.000 1.127 236 L HN 1.020 nan 8.230 nan 0.000 0.492 237 D N 2.400 122.845 120.400 0.074 0.000 2.398 237 D HA 0.143 4.783 4.640 -0.000 0.000 0.264 237 D C 0.943 177.276 176.300 0.055 0.000 1.263 237 D CA -0.016 54.022 54.000 0.064 0.000 1.037 237 D CB 0.668 41.511 40.800 0.072 0.000 1.101 237 D HN 0.485 nan 8.370 nan 0.000 0.551 238 A N -0.513 122.335 122.820 0.047 0.000 2.125 238 A HA -0.152 4.168 4.320 -0.000 0.000 0.219 238 A C 1.472 179.082 177.584 0.043 0.000 1.156 238 A CA 0.882 52.942 52.037 0.039 0.000 0.671 238 A CB -0.667 18.352 19.000 0.033 0.000 0.794 238 A HN 0.529 nan 8.150 nan 0.000 0.459 239 N N -0.730 118.002 118.700 0.054 0.000 2.270 239 N HA 0.163 4.903 4.740 -0.000 0.000 0.198 239 N C 1.004 176.563 175.510 0.081 0.000 1.117 239 N CA 0.887 53.972 53.050 0.059 0.000 0.845 239 N CB 0.476 38.998 38.487 0.060 0.000 0.980 239 N HN 0.577 nan 8.380 nan 0.000 0.486 240 G N 1.201 110.053 108.800 0.087 0.000 2.147 240 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.244 240 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.244 240 G C 0.052 175.063 174.900 0.185 0.000 1.005 240 G CA -0.041 45.130 45.100 0.119 0.000 0.713 240 G HN 0.322 nan 8.290 nan 0.000 0.515 241 R N -1.009 119.590 120.500 0.164 0.000 2.778 241 R HA 0.837 5.177 4.340 -0.000 0.000 0.277 241 R C 0.016 176.431 176.300 0.192 0.000 0.977 241 R CA -0.730 55.491 56.100 0.202 0.000 0.950 241 R CB 1.355 31.742 30.300 0.145 0.000 1.165 241 R HN 0.235 nan 8.270 nan 0.000 0.474 242 M N 2.087 121.832 119.600 0.242 0.000 2.213 242 M HA 0.363 4.843 4.480 -0.000 0.000 0.286 242 M C -1.426 175.005 176.300 0.218 0.000 1.008 242 M CA -0.832 54.596 55.300 0.212 0.000 0.937 242 M CB 2.516 35.245 32.600 0.215 0.000 1.600 242 M HN 0.254 nan 8.290 nan 0.000 0.450 243 V N 2.825 122.833 119.914 0.156 0.000 2.604 243 V HA 0.576 4.696 4.120 -0.000 0.000 0.305 243 V C -0.726 175.436 176.094 0.112 0.000 1.043 243 V CA -0.634 61.727 62.300 0.102 0.000 0.888 243 V CB 2.009 33.777 31.823 -0.092 0.000 0.995 243 V HN 0.740 nan 8.190 nan 0.000 0.429 244 H N 2.031 121.066 119.070 -0.060 0.000 2.865 244 H HA 0.559 5.115 4.556 -0.000 0.000 0.362 244 H C -0.256 174.914 175.328 -0.263 0.000 1.114 244 H CA 0.356 56.200 56.048 -0.340 0.000 1.208 244 H CB 2.668 31.827 29.762 -1.005 0.000 1.727 244 H HN 0.856 nan 8.280 nan 0.000 0.534 245 T N 0.700 114.980 114.554 -0.456 0.000 1.744 245 T HA 0.199 4.548 4.350 -0.000 0.000 0.186 245 T C 0.349 174.934 174.700 -0.192 0.000 0.723 245 T CA -0.441 61.531 62.100 -0.213 0.000 1.264 245 T CB 0.375 69.161 68.868 -0.136 0.000 3.334 245 T HN 0.535 nan 8.240 nan 0.000 0.421 246 N N 1.289 119.874 118.700 -0.192 0.000 2.351 246 N HA 0.245 4.985 4.740 -0.000 0.000 0.254 246 N C -0.619 174.836 175.510 -0.093 0.000 1.241 246 N CA -0.580 52.416 53.050 -0.089 0.000 0.883 246 N CB 0.316 38.812 38.487 0.014 0.000 1.202 246 N HN 0.658 nan 8.380 nan 0.000 0.512 247 H N -2.264 116.545 119.070 -0.435 0.000 2.946 247 H HA 0.420 4.976 4.556 -0.000 0.000 0.365 247 H C -0.953 174.129 175.328 -0.410 0.000 1.197 247 H CA -0.927 54.828 56.048 -0.489 0.000 1.131 247 H CB 0.497 29.611 29.762 -1.079 0.000 1.849 247 H HN -0.156 nan 8.280 nan 0.000 0.555 248 C N 2.369 121.552 119.300 -0.194 0.000 2.629 248 C HA 0.131 4.590 4.460 -0.000 0.000 0.410 248 C C 2.124 177.016 174.990 -0.164 0.000 1.339 248 C CA -0.298 58.666 59.018 -0.089 0.000 1.810 248 C CB -1.262 26.505 27.740 0.045 0.000 2.549 248 C HN 0.666 nan 8.230 nan 0.000 0.589 249 L N 3.061 124.166 121.223 -0.196 0.000 2.556 249 L HA 0.242 4.582 4.340 -0.000 0.000 0.226 249 L C 0.434 177.289 176.870 -0.024 0.000 1.089 249 L CA 0.425 55.135 54.840 -0.217 0.000 0.864 249 L CB -0.316 41.521 42.059 -0.371 0.000 1.067 249 L HN 0.577 nan 8.230 nan 0.000 0.477 250 L N -0.358 120.904 121.223 0.065 0.000 2.358 250 L HA 0.374 4.714 4.340 -0.000 0.000 0.268 250 L C 0.030 176.923 176.870 0.039 0.000 1.032 250 L CA -0.682 54.173 54.840 0.025 0.000 0.805 250 L CB 1.002 43.041 42.059 -0.033 0.000 1.253 250 L HN -0.091 nan 8.230 nan 0.000 0.452 251 Q N 1.373 121.158 119.800 -0.026 0.000 2.293 251 Q HA 0.174 4.514 4.340 -0.000 0.000 0.263 251 Q C -1.040 174.909 176.000 -0.085 0.000 1.002 251 Q CA 0.311 56.119 55.803 0.009 0.000 0.910 251 Q CB 0.349 29.092 28.738 0.009 0.000 1.185 251 Q HN 0.349 nan 8.270 nan 0.000 0.401 252 H N 1.845 120.950 119.070 0.059 0.000 2.651 252 H HA 0.425 4.981 4.556 -0.000 0.000 0.353 252 H C 0.089 175.451 175.328 0.056 0.000 1.178 252 H CA -0.555 55.530 56.048 0.063 0.000 1.224 252 H CB 1.414 31.217 29.762 0.068 0.000 1.702 252 H HN 0.900 nan 8.280 nan 0.000 0.550 253 G N 0.504 109.412 108.800 0.181 0.000 2.647 253 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.234 253 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.234 253 G C 0.820 175.785 174.900 0.109 0.000 1.252 253 G CA -0.181 44.989 45.100 0.117 0.000 0.846 253 G HN 0.598 nan 8.290 nan 0.000 0.589 254 K N 0.121 120.568 120.400 0.078 0.000 2.283 254 K HA -0.068 4.252 4.320 -0.000 0.000 0.202 254 K C 2.085 178.722 176.600 0.061 0.000 1.048 254 K CA 0.756 57.083 56.287 0.066 0.000 0.948 254 K CB -0.002 32.528 32.500 0.051 0.000 0.742 254 K HN 0.606 nan 8.250 nan 0.000 0.458 255 N N 0.926 119.663 118.700 0.062 0.000 2.494 255 N HA -0.082 4.658 4.740 -0.000 0.000 0.182 255 N C -0.378 175.167 175.510 0.058 0.000 1.076 255 N CA 0.279 53.362 53.050 0.055 0.000 0.908 255 N CB 0.420 38.938 38.487 0.052 0.000 0.967 255 N HN 0.103 nan 8.380 nan 0.000 0.449 256 E N 1.438 121.678 120.200 0.068 0.000 2.392 256 E HA -0.003 4.347 4.350 -0.000 0.000 0.264 256 E C -0.402 176.219 176.600 0.036 0.000 1.024 256 E CA 0.483 56.913 56.400 0.049 0.000 0.903 256 E CB 1.222 30.948 29.700 0.042 0.000 0.963 256 E HN 0.169 nan 8.360 nan 0.000 0.432 257 K N 2.234 122.650 120.400 0.027 0.000 2.507 257 K HA 0.200 4.520 4.320 -0.000 0.000 0.252 257 K C -0.916 175.706 176.600 0.036 0.000 0.943 257 K CA -0.417 55.891 56.287 0.036 0.000 0.808 257 K CB 1.210 33.737 32.500 0.044 0.000 1.142 257 K HN 0.364 nan 8.250 nan 0.000 0.426 258 E N 5.198 125.425 120.200 0.045 0.000 2.146 258 E HA 0.233 4.583 4.350 -0.000 0.000 0.282 258 E C -1.150 175.502 176.600 0.086 0.000 0.989 258 E CA -0.617 55.824 56.400 0.069 0.000 0.799 258 E CB 0.792 30.541 29.700 0.082 0.000 1.088 258 E HN 0.512 nan 8.360 nan 0.000 0.397 259 L N 4.949 126.237 121.223 0.110 0.000 2.265 259 L HA 0.244 4.584 4.340 -0.000 0.000 0.289 259 L C -0.446 176.438 176.870 0.024 0.000 1.033 259 L CA -0.655 54.236 54.840 0.086 0.000 0.814 259 L CB 1.201 43.333 42.059 0.122 0.000 1.203 259 L HN 0.685 nan 8.230 nan 0.000 0.423 260 D N 2.176 122.575 120.400 -0.001 0.000 2.740 260 D HA -0.133 4.507 4.640 -0.000 0.000 0.231 260 D C -2.098 174.110 176.300 -0.154 0.000 1.194 260 D CA 0.328 54.296 54.000 -0.053 0.000 0.673 260 D CB -0.783 39.997 40.800 -0.034 0.000 0.995 260 D HN 0.300 nan 8.370 nan 0.000 0.411 261 P HA 0.201 nan 4.420 nan 0.000 0.278 261 P C 0.688 178.008 177.300 0.034 0.000 1.238 261 P CA -0.704 62.340 63.100 -0.094 0.000 0.794 261 P CB 0.762 32.549 31.700 0.145 0.000 0.955 262 L N 4.407 125.621 121.223 -0.014 0.000 2.601 262 L HA -0.033 4.307 4.340 -0.000 0.000 0.277 262 L C -1.040 175.903 176.870 0.122 0.000 1.219 262 L CA -0.921 53.926 54.840 0.012 0.000 0.915 262 L CB -0.285 41.775 42.059 0.002 0.000 1.160 262 L HN 0.328 nan 8.230 nan 0.000 0.494 263 P HA -0.205 nan 4.420 nan 0.000 0.216 263 P C 0.891 178.230 177.300 0.066 0.000 1.150 263 P CA 1.377 64.457 63.100 -0.034 0.000 0.843 263 P CB 0.023 31.596 31.700 -0.212 0.000 0.787 264 D N -1.665 118.704 120.400 -0.052 0.000 2.350 264 D HA -0.105 4.535 4.640 -0.000 0.000 0.216 264 D C 1.797 178.140 176.300 0.070 0.000 0.968 264 D CA 0.721 54.708 54.000 -0.023 0.000 0.894 264 D CB -0.887 39.881 40.800 -0.054 0.000 0.909 264 D HN 0.014 nan 8.370 nan 0.000 0.520 265 S N -0.977 114.781 115.700 0.097 0.000 2.383 265 S HA -0.146 4.324 4.470 -0.000 0.000 0.229 265 S C 1.493 176.073 174.600 -0.034 0.000 1.030 265 S CA 0.973 59.178 58.200 0.009 0.000 1.002 265 S CB -0.467 62.676 63.200 -0.096 0.000 0.829 265 S HN 0.509 nan 8.310 nan 0.000 0.467 266 W N 1.486 122.660 121.300 -0.212 0.000 2.407 266 W HA -0.056 4.604 4.660 -0.000 0.000 0.305 266 W C 2.036 178.541 176.519 -0.024 0.000 1.196 266 W CA 0.874 58.103 57.345 -0.192 0.000 1.311 266 W CB -1.158 28.113 29.460 -0.315 0.000 1.135 266 W HN 0.392 nan 8.180 nan 0.000 0.514 267 N N 0.467 119.273 118.700 0.176 0.000 2.061 267 N HA -0.192 4.548 4.740 -0.000 0.000 0.193 267 N C 1.674 177.226 175.510 0.069 0.000 1.030 267 N CA 1.836 54.937 53.050 0.085 0.000 0.856 267 N CB -0.822 37.685 38.487 0.033 0.000 1.023 267 N HN 0.102 nan 8.380 nan 0.000 0.424 268 R N -0.493 120.048 120.500 0.068 0.000 2.075 268 R HA -0.081 4.258 4.340 -0.000 0.000 0.232 268 R C 2.158 178.472 176.300 0.023 0.000 1.126 268 R CA 1.031 57.151 56.100 0.034 0.000 0.963 268 R CB -0.474 29.844 30.300 0.031 0.000 0.858 268 R HN 0.489 nan 8.270 nan 0.000 0.435 269 H N 1.365 120.419 119.070 -0.027 0.000 2.319 269 H HA -0.134 4.422 4.556 -0.000 0.000 0.299 269 H C 1.731 177.051 175.328 -0.014 0.000 1.092 269 H CA 1.886 57.902 56.048 -0.053 0.000 1.302 269 H CB 0.258 29.977 29.762 -0.072 0.000 1.373 269 H HN 0.276 nan 8.280 nan 0.000 0.497 270 Q N -0.244 119.601 119.800 0.076 0.000 2.124 270 Q HA -0.151 4.189 4.340 -0.000 0.000 0.202 270 Q C 2.550 178.549 176.000 -0.001 0.000 0.977 270 Q CA 1.338 57.164 55.803 0.039 0.000 0.850 270 Q CB 0.030 28.826 28.738 0.097 0.000 0.901 270 Q HN 0.163 nan 8.270 nan 0.000 0.429 271 R N 0.700 121.195 120.500 -0.008 0.000 2.066 271 R HA -0.114 4.226 4.340 -0.000 0.000 0.232 271 R C 1.972 178.266 176.300 -0.010 0.000 1.131 271 R CA 1.475 57.581 56.100 0.010 0.000 0.955 271 R CB -0.409 29.883 30.300 -0.014 0.000 0.851 271 R HN 0.201 nan 8.270 nan 0.000 0.432 272 M N 0.900 120.427 119.600 -0.123 0.000 2.117 272 M HA -0.070 4.410 4.480 -0.000 0.000 0.262 272 M C 1.509 177.691 176.300 -0.195 0.000 1.065 272 M CA 1.740 56.907 55.300 -0.221 0.000 1.114 272 M CB -0.255 32.179 32.600 -0.276 0.000 1.361 272 M HN 0.146 nan 8.290 nan 0.000 0.408 273 E N -0.720 119.361 120.200 -0.199 0.000 2.085 273 E HA -0.230 4.120 4.350 -0.000 0.000 0.194 273 E C 2.005 178.587 176.600 -0.030 0.000 0.994 273 E CA 1.643 57.960 56.400 -0.138 0.000 0.801 273 E CB -0.756 28.842 29.700 -0.171 0.000 0.743 273 E HN 0.626 nan 8.360 nan 0.000 0.453 274 F N 1.624 121.508 119.950 -0.110 0.000 2.102 274 F HA -0.172 4.354 4.527 -0.000 0.000 0.298 274 F C 2.205 177.964 175.800 -0.068 0.000 1.105 274 F CA 1.231 59.189 58.000 -0.070 0.000 1.239 274 F CB -0.323 38.642 39.000 -0.060 0.000 0.991 274 F HN -0.100 nan 8.300 nan 0.000 0.474 275 L N -0.143 120.999 121.223 -0.136 0.000 2.046 275 L HA -0.241 4.099 4.340 -0.000 0.000 0.208 275 L C 2.497 179.232 176.870 -0.224 0.000 1.077 275 L CA 1.161 55.859 54.840 -0.237 0.000 0.747 275 L CB -0.810 41.132 42.059 -0.196 0.000 0.896 275 L HN 0.238 nan 8.230 nan 0.000 0.432 276 L N -0.615 120.496 121.223 -0.186 0.000 2.141 276 L HA -0.201 4.139 4.340 -0.000 0.000 0.209 276 L C 2.149 179.029 176.870 0.016 0.000 1.094 276 L CA 0.799 55.600 54.840 -0.065 0.000 0.763 276 L CB -0.600 41.419 42.059 -0.066 0.000 0.908 276 L HN 0.277 nan 8.230 nan 0.000 0.437 277 D N 0.247 120.587 120.400 -0.101 0.000 2.149 277 D HA -0.142 4.497 4.640 -0.000 0.000 0.198 277 D C 2.046 178.264 176.300 -0.137 0.000 0.990 277 D CA 1.582 55.514 54.000 -0.115 0.000 0.839 277 D CB -0.105 40.589 40.800 -0.176 0.000 0.948 277 D HN 0.363 nan 8.370 nan 0.000 0.460 278 G N -0.620 108.048 108.800 -0.220 0.000 2.838 278 G HA2 -0.080 3.880 3.960 -0.000 0.000 0.210 278 G HA3 -0.080 3.880 3.960 -0.000 0.000 0.210 278 G C 0.357 175.242 174.900 -0.026 0.000 1.153 278 G CA -0.473 44.518 45.100 -0.182 0.000 0.778 278 G HN 0.110 nan 8.290 nan 0.000 0.539 279 F N 3.337 123.202 119.950 -0.142 0.000 2.602 279 F HA 0.116 4.643 4.527 -0.000 0.000 0.385 279 F C 1.289 177.063 175.800 -0.043 0.000 1.063 279 F CA -1.378 56.575 58.000 -0.077 0.000 1.233 279 F CB 0.926 39.897 39.000 -0.048 0.000 1.067 279 F HN 0.198 nan 8.300 nan 0.000 0.564 280 D N 2.877 123.068 120.400 -0.348 0.000 2.349 280 D HA 0.118 4.758 4.640 -0.000 0.000 0.224 280 D C 1.648 177.549 176.300 -0.665 0.000 1.029 280 D CA 0.786 54.546 54.000 -0.400 0.000 0.879 280 D CB -0.204 40.486 40.800 -0.183 0.000 0.906 280 D HN 0.867 nan 8.370 nan 0.000 0.528 281 G N -0.069 107.812 108.800 -1.531 0.000 2.213 281 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.236 281 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.236 281 G C 0.532 175.162 174.900 -0.449 0.000 0.991 281 G CA 0.412 44.825 45.100 -1.145 0.000 0.629 281 G HN 0.807 nan 8.290 nan 0.000 0.517 282 T N -0.964 113.442 114.554 -0.247 0.000 2.918 282 T HA 0.543 4.893 4.350 -0.000 0.000 0.302 282 T C 1.347 176.181 174.700 0.224 0.000 1.045 282 T CA 0.604 62.714 62.100 0.018 0.000 1.114 282 T CB 1.644 70.527 68.868 0.025 0.000 0.965 282 T HN 0.307 nan 8.240 nan 0.000 0.540 283 K N 0.803 121.298 120.400 0.158 0.000 2.103 283 K HA -0.219 4.101 4.320 -0.000 0.000 0.207 283 K C 2.460 179.204 176.600 0.241 0.000 1.048 283 K CA 1.745 58.149 56.287 0.194 0.000 0.930 283 K CB -0.174 32.385 32.500 0.098 0.000 0.716 283 K HN 0.804 nan 8.250 nan 0.000 0.444 284 Q N 0.657 120.559 119.800 0.171 0.000 2.050 284 Q HA -0.174 4.166 4.340 -0.000 0.000 0.202 284 Q C 2.069 178.174 176.000 0.174 0.000 0.980 284 Q CA 1.676 57.563 55.803 0.140 0.000 0.840 284 Q CB -0.137 28.654 28.738 0.088 0.000 0.898 284 Q HN 0.337 nan 8.270 nan 0.000 0.424 285 A N 0.101 123.061 122.820 0.233 0.000 1.930 285 A HA -0.169 4.151 4.320 -0.000 0.000 0.217 285 A C 1.860 179.598 177.584 0.256 0.000 1.175 285 A CA 1.151 53.347 52.037 0.266 0.000 0.627 285 A CB -0.968 18.249 19.000 0.362 0.000 0.815 285 A HN 0.610 nan 8.150 nan 0.000 0.443 286 F N 1.029 121.129 119.950 0.250 0.000 2.126 286 F HA -0.164 4.363 4.527 -0.000 0.000 0.299 286 F C 2.541 178.372 175.800 0.051 0.000 1.096 286 F CA 1.271 59.246 58.000 -0.041 0.000 1.255 286 F CB -0.373 38.686 39.000 0.098 0.000 0.997 286 F HN 0.253 nan 8.300 nan 0.000 0.479 287 A N -0.456 122.500 122.820 0.226 0.000 1.933 287 A HA -0.194 4.126 4.320 -0.000 0.000 0.218 287 A C 2.104 179.751 177.584 0.106 0.000 1.175 287 A CA 1.484 53.650 52.037 0.215 0.000 0.628 287 A CB -0.653 18.442 19.000 0.158 0.000 0.814 287 A HN 0.456 nan 8.150 nan 0.000 0.444 288 Q N -0.244 119.560 119.800 0.007 0.000 2.224 288 Q HA -0.034 4.306 4.340 -0.000 0.000 0.203 288 Q C 2.064 177.963 176.000 -0.168 0.000 0.970 288 Q CA 0.823 56.601 55.803 -0.041 0.000 0.865 288 Q CB -0.464 28.265 28.738 -0.015 0.000 0.922 288 Q HN 0.755 nan 8.270 nan 0.000 0.445 289 L N -1.374 119.608 121.223 -0.401 0.000 2.081 289 L HA -0.200 4.140 4.340 -0.000 0.000 0.212 289 L C 1.854 178.327 176.870 -0.662 0.000 1.080 289 L CA 1.415 55.846 54.840 -0.682 0.000 0.754 289 L CB -0.581 40.742 42.059 -1.227 0.000 0.893 289 L HN 0.308 nan 8.230 nan 0.000 0.433 290 W N -0.865 120.279 121.300 -0.259 0.000 2.937 290 W HA 0.088 4.748 4.660 -0.000 0.000 0.245 290 W C 2.133 178.580 176.519 -0.119 0.000 1.306 290 W CA 0.332 57.556 57.345 -0.201 0.000 1.470 290 W CB -0.176 29.152 29.460 -0.220 0.000 1.132 290 W HN 0.028 nan 8.180 nan 0.000 0.675 291 A N -0.344 122.496 122.820 0.032 0.000 2.308 291 A HA 0.060 4.380 4.320 -0.000 0.000 0.217 291 A C 0.063 177.648 177.584 0.003 0.000 1.216 291 A CA -0.124 51.931 52.037 0.030 0.000 0.864 291 A CB -0.497 18.517 19.000 0.022 0.000 0.902 291 A HN 0.081 nan 8.150 nan 0.000 0.499 292 D N 0.440 120.813 120.400 -0.044 0.000 2.458 292 D HA 0.120 4.760 4.640 -0.000 0.000 0.243 292 D C 0.550 176.860 176.300 0.018 0.000 1.146 292 D CA 0.624 54.602 54.000 -0.036 0.000 0.877 292 D CB 0.487 41.235 40.800 -0.087 0.000 1.176 292 D HN 0.370 nan 8.370 nan 0.000 0.461 293 E N 1.967 122.192 120.200 0.041 0.000 2.734 293 E HA 0.060 4.410 4.350 -0.000 0.000 0.211 293 E C -0.753 175.910 176.600 0.104 0.000 0.991 293 E CA -0.347 56.117 56.400 0.107 0.000 1.065 293 E CB 0.481 30.252 29.700 0.119 0.000 1.047 293 E HN 0.502 nan 8.360 nan 0.000 0.470 294 D N 1.084 121.518 120.400 0.056 0.000 2.458 294 D HA -0.036 4.604 4.640 -0.000 0.000 0.243 294 D C 0.512 176.860 176.300 0.079 0.000 1.146 294 D CA 0.760 54.788 54.000 0.047 0.000 0.877 294 D CB 0.335 41.141 40.800 0.010 0.000 1.176 294 D HN -0.033 nan 8.370 nan 0.000 0.461 295 N N 1.955 120.713 118.700 0.096 0.000 2.782 295 N HA -0.290 4.450 4.740 -0.000 0.000 0.251 295 N C -1.112 174.519 175.510 0.202 0.000 1.101 295 N CA 0.355 53.491 53.050 0.143 0.000 0.764 295 N CB -1.962 36.595 38.487 0.116 0.000 1.122 295 N HN 0.503 nan 8.380 nan 0.000 0.561 296 Y N 1.010 121.329 120.300 0.031 0.000 2.904 296 Y HA 0.070 4.620 4.550 -0.000 0.000 0.336 296 Y C -0.979 174.863 175.900 -0.097 0.000 1.263 296 Y CA -0.020 58.057 58.100 -0.037 0.000 1.547 296 Y CB 0.706 39.139 38.460 -0.046 0.000 1.272 296 Y HN 0.155 nan 8.280 nan 0.000 0.596 297 P HA -0.015 nan 4.420 nan 0.000 0.249 297 P C 0.086 176.917 177.300 -0.781 0.000 1.229 297 P CA 0.730 63.047 63.100 -1.304 0.000 0.788 297 P CB -0.040 30.930 31.700 -1.217 0.000 1.072 298 F N 0.970 120.779 119.950 -0.235 0.000 2.676 298 F HA 0.088 4.615 4.527 -0.000 0.000 0.300 298 F C 1.423 177.165 175.800 -0.096 0.000 1.160 298 F CA -0.271 57.642 58.000 -0.145 0.000 1.401 298 F CB -0.920 38.023 39.000 -0.094 0.000 1.037 298 F HN -0.122 nan 8.300 nan 0.000 0.522 299 S N -0.562 115.145 115.700 0.012 0.000 2.624 299 S HA 0.271 4.741 4.470 -0.000 0.000 0.263 299 S C 1.544 176.158 174.600 0.023 0.000 1.287 299 S CA -0.729 57.497 58.200 0.043 0.000 0.990 299 S CB 1.041 64.281 63.200 0.068 0.000 0.950 299 S HN 0.224 nan 8.310 nan 0.000 0.561 300 I N -0.107 120.474 120.570 0.019 0.000 2.145 300 I HA -0.179 3.991 4.170 -0.000 0.000 0.244 300 I C 1.615 177.758 176.117 0.042 0.000 1.075 300 I CA 1.208 62.518 61.300 0.017 0.000 1.332 300 I CB -0.227 37.749 38.000 -0.040 0.000 1.033 300 I HN 0.662 nan 8.210 nan 0.000 0.410 301 C N 3.504 122.828 119.300 0.040 0.000 2.218 301 C HA 0.260 4.720 4.460 -0.000 0.000 0.353 301 C C 0.928 175.928 174.990 0.015 0.000 1.070 301 C CA -0.677 58.370 59.018 0.049 0.000 1.497 301 C CB -1.536 26.245 27.740 0.068 0.000 1.951 301 C HN 0.210 nan 8.230 nan 0.000 0.493 302 R N 3.622 124.104 120.500 -0.030 0.000 2.490 302 R HA 0.619 4.959 4.340 -0.000 0.000 0.278 302 R C -0.157 176.059 176.300 -0.140 0.000 1.069 302 R CA -0.013 56.021 56.100 -0.111 0.000 1.080 302 R CB 0.883 31.119 30.300 -0.105 0.000 1.030 302 R HN 0.819 nan 8.270 nan 0.000 0.491 303 A N 3.249 125.888 122.820 -0.303 0.000 2.374 303 A HA 0.268 4.588 4.320 -0.000 0.000 0.317 303 A C -1.599 175.834 177.584 -0.252 0.000 1.094 303 A CA -0.650 51.230 52.037 -0.262 0.000 0.765 303 A CB 0.880 19.608 19.000 -0.454 0.000 1.268 303 A HN 0.784 nan 8.150 nan 0.000 0.438 304 Y N 0.971 121.154 120.300 -0.195 0.000 2.425 304 Y HA 0.441 4.991 4.550 -0.000 0.000 0.331 304 Y C 0.298 176.095 175.900 -0.172 0.000 1.157 304 Y CA 0.876 58.879 58.100 -0.162 0.000 1.372 304 Y CB 0.541 38.955 38.460 -0.077 0.000 1.253 304 Y HN 0.746 nan 8.280 nan 0.000 0.536 305 E N 4.228 123.892 120.200 -0.894 0.000 2.313 305 E HA 0.189 4.539 4.350 -0.000 0.000 0.280 305 E C -1.585 174.556 176.600 -0.765 0.000 0.898 305 E CA -0.821 55.173 56.400 -0.677 0.000 0.803 305 E CB 0.823 30.264 29.700 -0.432 0.000 1.286 305 E HN 0.692 nan 8.360 nan 0.000 0.401 306 E N 2.089 121.928 120.200 -0.603 0.000 2.606 306 E HA 0.240 4.590 4.350 -0.000 0.000 0.248 306 E C 0.993 177.484 176.600 -0.182 0.000 1.005 306 E CA 1.565 57.773 56.400 -0.319 0.000 0.946 306 E CB 0.378 30.041 29.700 -0.063 0.000 0.928 306 E HN 0.814 nan 8.360 nan 0.000 0.494 307 G N 2.597 111.316 108.800 -0.136 0.000 2.159 307 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.256 307 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.256 307 G C 0.788 175.659 174.900 -0.049 0.000 0.977 307 G CA 0.650 45.714 45.100 -0.059 0.000 0.652 307 G HN 0.494 nan 8.290 nan 0.000 0.531 308 K N -1.238 119.094 120.400 -0.115 0.000 2.638 308 K HA 0.326 4.646 4.320 -0.000 0.000 0.207 308 K C 0.496 177.056 176.600 -0.067 0.000 1.429 308 K CA 0.600 56.859 56.287 -0.047 0.000 0.957 308 K CB 0.831 33.231 32.500 -0.168 0.000 1.733 308 K HN 0.294 nan 8.250 nan 0.000 0.474 309 S N 0.761 116.258 115.700 -0.339 0.000 2.605 309 S HA 0.364 4.833 4.470 -0.000 0.000 0.308 309 S C -0.093 174.323 174.600 -0.306 0.000 1.113 309 S CA -0.629 57.386 58.200 -0.308 0.000 1.049 309 S CB 1.267 64.142 63.200 -0.541 0.000 1.001 309 S HN 0.192 nan 8.310 nan 0.000 0.480 310 R N 2.768 123.201 120.500 -0.112 0.000 2.334 310 R HA 0.264 4.604 4.340 -0.000 0.000 0.216 310 R C 0.926 177.312 176.300 0.143 0.000 0.905 310 R CA 0.184 56.333 56.100 0.083 0.000 1.064 310 R CB 0.672 31.079 30.300 0.179 0.000 1.046 310 R HN 0.624 nan 8.270 nan 0.000 0.508 311 G N -0.436 108.333 108.800 -0.052 0.000 2.733 311 G HA2 0.733 4.693 3.960 -0.000 0.000 0.288 311 G HA3 0.733 4.693 3.960 -0.000 0.000 0.288 311 G C -1.671 173.190 174.900 -0.065 0.000 1.373 311 G CA -0.373 44.653 45.100 -0.123 0.000 0.895 311 G HN 0.138 nan 8.290 nan 0.000 0.479 312 A N -0.891 121.888 122.820 -0.067 0.000 2.569 312 A HA 0.821 5.140 4.320 -0.000 0.000 0.290 312 A C -0.117 177.429 177.584 -0.064 0.000 1.136 312 A CA -0.530 51.477 52.037 -0.050 0.000 0.710 312 A CB 1.023 20.029 19.000 0.010 0.000 1.303 312 A HN 0.796 nan 8.150 nan 0.000 0.413 313 T N 1.815 116.342 114.554 -0.046 0.000 2.817 313 T HA 0.310 4.660 4.350 -0.000 0.000 0.295 313 T C 1.070 175.783 174.700 0.021 0.000 0.958 313 T CA 0.399 62.476 62.100 -0.038 0.000 1.157 313 T CB -0.206 68.653 68.868 -0.015 0.000 0.898 313 T HN 0.430 nan 8.240 nan 0.000 0.536 314 L N 3.079 124.339 121.223 0.061 0.000 2.515 314 L HA 0.399 4.739 4.340 -0.000 0.000 0.223 314 L C 0.174 177.248 176.870 0.341 0.000 1.079 314 L CA 0.082 55.045 54.840 0.205 0.000 0.857 314 L CB 0.125 42.376 42.059 0.321 0.000 1.050 314 L HN 0.696 nan 8.230 nan 0.000 0.476 315 F N -2.226 117.803 119.950 0.133 0.000 2.770 315 F HA 0.435 4.962 4.527 -0.000 0.000 0.313 315 F C -1.579 174.212 175.800 -0.016 0.000 1.154 315 F CA -1.240 56.785 58.000 0.042 0.000 0.923 315 F CB 1.121 40.133 39.000 0.020 0.000 1.301 315 F HN -0.212 nan 8.300 nan 0.000 0.449 316 N N 2.271 120.975 118.700 0.008 0.000 2.238 316 N HA 0.646 5.386 4.740 -0.000 0.000 0.302 316 N C -2.122 173.282 175.510 -0.176 0.000 1.072 316 N CA -0.487 52.414 53.050 -0.248 0.000 0.792 316 N CB 2.729 41.072 38.487 -0.241 0.000 1.425 316 N HN 0.931 nan 8.380 nan 0.000 0.478 317 I N 3.467 123.809 120.570 -0.381 0.000 2.608 317 I HA 0.518 4.688 4.170 -0.000 0.000 0.295 317 I C -1.282 174.416 176.117 -0.698 0.000 1.049 317 I CA -0.863 60.158 61.300 -0.465 0.000 1.063 317 I CB 1.752 39.533 38.000 -0.365 0.000 1.248 317 I HN 0.517 nan 8.210 nan 0.000 0.424 318 I N 7.110 127.286 120.570 -0.657 0.000 2.499 318 I HA 0.282 4.452 4.170 -0.000 0.000 0.288 318 I C -1.458 174.303 176.117 -0.593 0.000 1.048 318 I CA -0.571 60.438 61.300 -0.485 0.000 1.062 318 I CB 1.724 39.636 38.000 -0.147 0.000 1.238 318 I HN 0.395 nan 8.210 nan 0.000 0.426 319 Y N 3.668 123.796 120.300 -0.287 0.000 2.367 319 Y HA 0.247 4.797 4.550 -0.000 0.000 0.342 319 Y C 0.294 175.914 175.900 -0.467 0.000 0.979 319 Y CA -0.915 56.907 58.100 -0.464 0.000 1.161 319 Y CB 0.520 38.635 38.460 -0.575 0.000 1.155 319 Y HN 0.402 nan 8.280 nan 0.000 0.503 320 D N 2.768 123.061 120.400 -0.178 0.000 2.468 320 D HA 0.053 4.693 4.640 -0.000 0.000 0.218 320 D C 0.883 177.167 176.300 -0.026 0.000 1.155 320 D CA 0.121 54.057 54.000 -0.107 0.000 0.924 320 D CB 0.138 40.915 40.800 -0.039 0.000 1.029 320 D HN 0.613 nan 8.370 nan 0.000 0.515 321 H N 2.638 121.750 119.070 0.071 0.000 2.387 321 H HA -0.096 4.460 4.556 -0.000 0.000 0.299 321 H C 1.719 177.111 175.328 0.107 0.000 1.090 321 H CA 1.459 57.576 56.048 0.114 0.000 1.332 321 H CB 0.052 29.863 29.762 0.082 0.000 1.386 321 H HN 0.565 nan 8.280 nan 0.000 0.516 322 A N 1.084 124.010 122.820 0.176 0.000 1.972 322 A HA -0.142 4.178 4.320 -0.000 0.000 0.219 322 A C 2.284 179.940 177.584 0.120 0.000 1.169 322 A CA 1.214 53.326 52.037 0.125 0.000 0.635 322 A CB -0.056 18.992 19.000 0.079 0.000 0.810 322 A HN 0.168 nan 8.150 nan 0.000 0.446 323 R N -1.967 118.607 120.500 0.123 0.000 2.334 323 R HA 0.172 4.512 4.340 -0.000 0.000 0.212 323 R C 0.261 176.671 176.300 0.183 0.000 0.897 323 R CA 0.346 56.520 56.100 0.123 0.000 1.056 323 R CB -0.252 30.102 30.300 0.090 0.000 1.046 323 R HN 0.590 nan 8.270 nan 0.000 0.513 324 R N 1.885 122.535 120.500 0.250 0.000 3.264 324 R HA -0.184 4.156 4.340 -0.000 0.000 0.251 324 R C -1.258 175.354 176.300 0.522 0.000 0.971 324 R CA 0.823 57.168 56.100 0.407 0.000 0.658 324 R CB -1.196 29.298 30.300 0.324 0.000 1.095 324 R HN 0.256 nan 8.270 nan 0.000 0.443 325 E N -0.412 120.014 120.200 0.377 0.000 2.293 325 E HA 0.647 4.997 4.350 -0.000 0.000 0.270 325 E C -1.156 175.396 176.600 -0.080 0.000 0.879 325 E CA -0.530 56.001 56.400 0.219 0.000 0.756 325 E CB 2.065 31.817 29.700 0.088 0.000 1.208 325 E HN 0.342 nan 8.360 nan 0.000 0.428 326 A N 1.931 124.562 122.820 -0.315 0.000 2.319 326 A HA 0.539 4.859 4.320 -0.000 0.000 0.310 326 A C -0.540 176.813 177.584 -0.386 0.000 1.152 326 A CA -0.575 51.120 52.037 -0.569 0.000 0.783 326 A CB 1.250 19.632 19.000 -1.030 0.000 1.184 326 A HN 0.442 nan 8.150 nan 0.000 0.474 327 T N 2.219 116.546 114.554 -0.378 0.000 2.767 327 T HA 0.502 4.852 4.350 -0.000 0.000 0.284 327 T C -0.293 174.136 174.700 -0.452 0.000 0.973 327 T CA -0.177 61.718 62.100 -0.341 0.000 0.996 327 T CB 0.959 69.695 68.868 -0.220 0.000 0.927 327 T HN 0.419 nan 8.240 nan 0.000 0.456 328 V N 5.042 124.573 119.914 -0.639 0.000 2.417 328 V HA 0.513 4.633 4.120 -0.000 0.000 0.291 328 V C 0.083 175.814 176.094 -0.605 0.000 1.024 328 V CA -0.910 60.962 62.300 -0.713 0.000 0.861 328 V CB 1.608 32.733 31.823 -1.162 0.000 0.985 328 V HN 0.724 nan 8.190 nan 0.000 0.436 329 R N 3.581 123.904 120.500 -0.296 0.000 2.393 329 R HA 0.569 4.908 4.340 -0.000 0.000 0.315 329 R C -1.056 175.227 176.300 -0.029 0.000 0.952 329 R CA -0.772 55.235 56.100 -0.155 0.000 0.842 329 R CB 1.908 32.153 30.300 -0.092 0.000 1.163 329 R HN 0.567 nan 8.270 nan 0.000 0.450 330 L N 2.680 123.909 121.223 0.010 0.000 2.350 330 L HA 0.579 4.919 4.340 -0.000 0.000 0.275 330 L C 0.720 177.648 176.870 0.098 0.000 1.099 330 L CA 1.264 56.162 54.840 0.098 0.000 0.808 330 L CB 1.157 43.280 42.059 0.107 0.000 1.149 330 L HN 0.853 nan 8.230 nan 0.000 0.442 331 G N 4.353 113.233 108.800 0.133 0.000 2.542 331 G HA2 -0.204 3.756 3.960 -0.000 0.000 0.235 331 G HA3 -0.204 3.756 3.960 -0.000 0.000 0.235 331 G C -0.454 174.493 174.900 0.078 0.000 1.286 331 G CA -0.217 44.942 45.100 0.098 0.000 0.904 331 G HN 0.817 nan 8.290 nan 0.000 0.577 332 R N 1.031 121.568 120.500 0.061 0.000 2.340 332 R HA 0.369 4.708 4.340 -0.000 0.000 0.300 332 R C -1.743 174.586 176.300 0.049 0.000 1.069 332 R CA -1.200 54.932 56.100 0.054 0.000 0.984 332 R CB 1.214 31.550 30.300 0.060 0.000 1.003 332 R HN 0.221 nan 8.270 nan 0.000 0.459 333 P HA -0.142 nan 4.420 nan 0.000 0.228 333 P C 0.993 178.318 177.300 0.043 0.000 1.151 333 P CA 1.156 64.283 63.100 0.046 0.000 0.770 333 P CB 0.172 31.917 31.700 0.075 0.000 0.786 334 T N -4.015 110.567 114.554 0.046 0.000 2.788 334 T HA -0.128 4.222 4.350 -0.000 0.000 0.268 334 T C 0.725 175.442 174.700 0.029 0.000 1.044 334 T CA 1.140 63.262 62.100 0.036 0.000 1.139 334 T CB -0.703 68.190 68.868 0.041 0.000 0.867 334 T HN 0.130 nan 8.240 nan 0.000 0.454 335 N N 1.436 120.155 118.700 0.032 0.000 2.751 335 N HA 0.336 5.076 4.740 -0.000 0.000 0.234 335 N C -3.241 172.287 175.510 0.031 0.000 1.403 335 N CA -1.042 52.024 53.050 0.027 0.000 0.747 335 N CB 1.903 40.406 38.487 0.026 0.000 1.326 335 N HN 0.182 nan 8.380 nan 0.000 0.532 336 P HA 0.069 nan 4.420 nan 0.000 0.269 336 P C 0.080 177.400 177.300 0.034 0.000 1.209 336 P CA -0.092 63.026 63.100 0.029 0.000 0.776 336 P CB 0.965 32.673 31.700 0.014 0.000 0.876 337 D N 0.911 121.337 120.400 0.044 0.000 2.178 337 D HA -0.081 4.559 4.640 -0.000 0.000 0.202 337 D C 0.707 177.037 176.300 0.050 0.000 0.974 337 D CA 1.444 55.471 54.000 0.045 0.000 0.841 337 D CB 0.274 41.105 40.800 0.051 0.000 0.953 337 D HN 0.677 nan 8.370 nan 0.000 0.478 338 E N -1.384 118.854 120.200 0.063 0.000 2.429 338 E HA 0.457 4.807 4.350 -0.000 0.000 0.280 338 E C -1.219 175.426 176.600 0.075 0.000 1.068 338 E CA -0.918 55.533 56.400 0.086 0.000 0.837 338 E CB 1.897 31.673 29.700 0.126 0.000 1.357 338 E HN -0.068 nan 8.360 nan 0.000 0.455 339 M N 2.201 121.854 119.600 0.088 0.000 2.378 339 M HA 0.671 5.151 4.480 -0.000 0.000 0.289 339 M C -2.107 174.247 176.300 0.090 0.000 1.136 339 M CA -0.593 54.696 55.300 -0.019 0.000 0.917 339 M CB 1.650 34.229 32.600 -0.034 0.000 1.669 339 M HN 0.703 nan 8.290 nan 0.000 0.461 340 F N 1.850 121.759 119.950 -0.069 0.000 2.686 340 F HA 0.848 5.375 4.527 -0.000 0.000 0.311 340 F C -2.128 173.614 175.800 -0.096 0.000 1.128 340 F CA -1.129 56.824 58.000 -0.078 0.000 0.946 340 F CB 0.981 39.927 39.000 -0.091 0.000 1.336 340 F HN 0.203 nan 8.300 nan 0.000 0.457 341 V N 2.974 122.961 119.914 0.121 0.000 2.459 341 V HA 0.456 4.576 4.120 -0.000 0.000 0.295 341 V C -0.220 175.929 176.094 0.092 0.000 1.029 341 V CA -0.733 61.577 62.300 0.016 0.000 0.874 341 V CB 1.747 33.572 31.823 0.003 0.000 0.985 341 V HN 0.764 nan 8.190 nan 0.000 0.438 342 M N 6.573 126.193 119.600 0.033 0.000 2.157 342 M HA 0.638 5.118 4.480 -0.000 0.000 0.354 342 M C -0.173 176.143 176.300 0.027 0.000 1.170 342 M CA -0.291 55.028 55.300 0.032 0.000 1.060 342 M CB 1.250 33.895 32.600 0.076 0.000 1.615 342 M HN 0.788 nan 8.290 nan 0.000 0.460 343 R N 1.782 122.215 120.500 -0.111 0.000 2.739 343 R HA 0.659 4.998 4.340 -0.000 0.000 0.271 343 R C -1.859 174.241 176.300 -0.333 0.000 1.010 343 R CA -0.810 55.187 56.100 -0.172 0.000 0.897 343 R CB 1.304 31.614 30.300 0.016 0.000 1.236 343 R HN 0.332 nan 8.270 nan 0.000 0.466 344 F N 1.626 121.605 119.950 0.048 0.000 2.399 344 F HA 0.235 4.762 4.527 -0.000 0.000 0.342 344 F C 0.741 176.555 175.800 0.024 0.000 1.106 344 F CA 0.160 58.163 58.000 0.005 0.000 1.196 344 F CB 0.830 39.794 39.000 -0.061 0.000 1.163 344 F HN 0.687 nan 8.300 nan 0.000 0.547 345 D N 0.292 120.810 120.400 0.196 0.000 2.588 345 D HA 0.156 4.796 4.640 -0.000 0.000 0.268 345 D C 0.817 177.180 176.300 0.105 0.000 1.176 345 D CA -0.590 53.481 54.000 0.119 0.000 1.080 345 D CB 0.216 41.066 40.800 0.082 0.000 1.186 345 D HN 0.614 nan 8.370 nan 0.000 0.619 346 E N -0.908 119.334 120.200 0.070 0.000 2.110 346 E HA -0.200 4.150 4.350 -0.000 0.000 0.193 346 E C 1.350 177.979 176.600 0.047 0.000 0.988 346 E CA 0.994 57.425 56.400 0.051 0.000 0.804 346 E CB 0.180 29.903 29.700 0.038 0.000 0.745 346 E HN 0.371 nan 8.360 nan 0.000 0.458 347 E N 0.805 121.037 120.200 0.052 0.000 2.152 347 E HA -0.139 4.211 4.350 -0.000 0.000 0.192 347 E C 1.685 178.318 176.600 0.056 0.000 0.983 347 E CA 0.709 57.137 56.400 0.046 0.000 0.818 347 E CB -0.136 29.589 29.700 0.041 0.000 0.758 347 E HN 0.366 nan 8.360 nan 0.000 0.467 348 D N 0.994 121.449 120.400 0.090 0.000 2.117 348 D HA -0.178 4.462 4.640 -0.000 0.000 0.197 348 D C 1.885 178.201 176.300 0.026 0.000 0.987 348 D CA 0.956 55.022 54.000 0.109 0.000 0.829 348 D CB -0.132 40.829 40.800 0.268 0.000 0.961 348 D HN 0.373 nan 8.370 nan 0.000 0.460 349 E N 0.921 121.137 120.200 0.026 0.000 2.031 349 E HA -0.196 4.154 4.350 -0.000 0.000 0.193 349 E C 2.212 178.803 176.600 -0.014 0.000 0.994 349 E CA 0.617 57.008 56.400 -0.014 0.000 0.800 349 E CB 0.107 29.812 29.700 0.009 0.000 0.752 349 E HN 0.031 nan 8.360 nan 0.000 0.447 350 R N 0.362 120.865 120.500 0.005 0.000 2.091 350 R HA -0.139 4.201 4.340 -0.000 0.000 0.238 350 R C 2.562 178.862 176.300 -0.001 0.000 1.136 350 R CA 1.631 57.733 56.100 0.003 0.000 0.959 350 R CB -0.503 29.803 30.300 0.011 0.000 0.856 350 R HN 0.147 nan 8.270 nan 0.000 0.437 351 S N -0.230 115.472 115.700 0.004 0.000 2.368 351 S HA -0.125 4.345 4.470 -0.000 0.000 0.225 351 S C 1.944 176.536 174.600 -0.013 0.000 1.030 351 S CA 1.318 59.520 58.200 0.004 0.000 0.999 351 S CB -0.165 63.046 63.200 0.018 0.000 0.844 351 S HN 0.524 nan 8.310 nan 0.000 0.459 352 A N 0.628 123.426 122.820 -0.036 0.000 2.015 352 A HA 0.145 4.465 4.320 -0.000 0.000 0.219 352 A C 1.969 179.524 177.584 -0.049 0.000 1.163 352 A CA 1.100 53.098 52.037 -0.064 0.000 0.646 352 A CB -0.457 18.470 19.000 -0.121 0.000 0.806 352 A HN 0.582 nan 8.150 nan 0.000 0.448 353 L N -1.301 119.900 121.223 -0.036 0.000 2.607 353 L HA 0.101 4.441 4.340 -0.000 0.000 0.228 353 L C 0.754 177.614 176.870 -0.016 0.000 1.123 353 L CA 0.149 54.973 54.840 -0.027 0.000 0.890 353 L CB -0.206 41.839 42.059 -0.024 0.000 1.103 353 L HN 0.471 nan 8.230 nan 0.000 0.468 354 N N 1.071 119.764 118.700 -0.012 0.000 2.714 354 N HA -0.203 4.537 4.740 -0.000 0.000 0.252 354 N C -0.197 175.311 175.510 -0.003 0.000 1.014 354 N CA 0.705 53.753 53.050 -0.004 0.000 0.735 354 N CB -0.505 37.979 38.487 -0.004 0.000 0.924 354 N HN 0.418 nan 8.380 nan 0.000 0.540 355 A N 0.655 123.473 122.820 -0.003 0.000 2.264 355 A HA 0.869 5.189 4.320 -0.000 0.000 0.304 355 A C 0.679 178.264 177.584 0.002 0.000 1.100 355 A CA 0.468 52.504 52.037 -0.002 0.000 0.839 355 A CB 0.678 19.676 19.000 -0.003 0.000 1.121 355 A HN 0.649 nan 8.150 nan 0.000 0.496 356 R N 0.000 120.501 120.500 0.002 0.000 2.786 356 R HA 0.000 4.340 4.340 -0.000 0.000 0.208 356 R CA 0.000 56.102 56.100 0.003 0.000 0.921 356 R CB 0.000 30.303 30.300 0.005 0.000 0.687 356 R HN 0.000 nan 8.270 nan 0.000 0.535