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 1ws9_1_A DATA FIRST_RESID 2 DATA SEQUENCE GLWFEEGAEE RQVLGPFREF LKAEVAPGAA ERDRTGAFPW DLVRKLAEFG DATA SEQUENCE VFGALVPEAY GGAGLSTRLF ARMVEAIAYY DGALALTVAS HNSLATGHIL DATA SEQUENCE LAGSEAQKEA FLPKLASGEA LGAWGLTEPG SGSDAAALKT KAEKVEGGWR DATA SEQUENCE LNGTKQFITQ GSVAGVYVVM ARTDPPPSPE RKHQGISAFA FFRPERGLKV DATA SEQUENCE GRKEEKLGLT ASDTAQLILE DLFVPEEALL GERGKGFYDV LRVLDGGRIG DATA SEQUENCE IAAMAVGLGQ AALDYALAYA KGREAFGRPI AEFEGVSFKL AEAATELEAA DATA SEQUENCE RLLYLKAAEL KDAGRPFTLE AAQAKLFASE AAVKACDEAI QILGGYGYVK DATA SEQUENCE DYPVERYWRD ARLTRIGEGT SEILKLVIAR RLLEAV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 G HA2 0.000 nan 3.960 nan 0.000 0.244 2 G HA3 0.000 3.494 3.960 -0.777 0.000 0.244 2 G C 0.000 174.797 174.900 -0.172 0.000 0.946 2 G CA 0.000 45.029 45.100 -0.118 0.000 0.502 3 L N 0.825 121.889 121.223 -0.265 0.000 2.525 3 L HA 0.091 3.965 4.340 -0.777 0.000 0.278 3 L C 1.642 178.177 176.870 -0.558 0.000 1.218 3 L CA -0.122 54.445 54.840 -0.455 0.000 0.878 3 L CB 0.623 42.238 42.059 -0.739 0.000 1.127 3 L HN 0.774 nan 8.230 nan 0.000 0.492 4 W N 4.510 125.486 121.300 -0.540 0.000 2.290 4 W HA -0.331 3.862 4.660 -0.777 0.000 0.328 4 W C 2.152 178.475 176.519 -0.327 0.000 1.272 4 W CA 1.952 59.096 57.345 -0.334 0.000 1.262 4 W CB -0.341 29.029 29.460 -0.149 0.000 1.151 4 W HN 0.581 nan 8.180 nan 0.000 0.473 5 F N 0.273 120.242 119.950 0.032 0.000 2.722 5 F HA 0.161 4.221 4.527 -0.777 0.000 0.298 5 F C 0.733 176.370 175.800 -0.272 0.000 1.175 5 F CA 0.756 58.604 58.000 -0.252 0.000 1.462 5 F CB -1.119 37.944 39.000 0.105 0.000 1.111 5 F HN -0.048 nan 8.300 nan 0.000 0.592 6 E N 0.936 120.867 120.200 -0.449 0.000 2.221 6 E HA 0.216 4.100 4.350 -0.777 0.000 0.268 6 E C -0.769 175.678 176.600 -0.254 0.000 0.933 6 E CA -0.837 55.412 56.400 -0.251 0.000 0.809 6 E CB 1.198 30.723 29.700 -0.292 0.000 1.190 6 E HN 0.254 nan 8.360 nan 0.000 0.406 7 E N 0.951 121.054 120.200 -0.161 0.000 2.324 7 E HA 0.187 4.071 4.350 -0.777 0.000 0.271 7 E C -0.077 176.446 176.600 -0.128 0.000 1.028 7 E CA -0.216 56.100 56.400 -0.141 0.000 0.890 7 E CB 1.037 30.683 29.700 -0.089 0.000 1.004 7 E HN 0.554 nan 8.360 nan 0.000 0.431 8 G N 1.673 110.395 108.800 -0.130 0.000 2.588 8 G HA2 0.266 3.760 3.960 -0.777 0.000 0.281 8 G HA3 0.266 3.760 3.960 -0.777 0.000 0.281 8 G C 0.901 175.757 174.900 -0.074 0.000 1.236 8 G CA 0.098 45.136 45.100 -0.104 0.000 0.969 8 G HN 0.602 nan 8.290 nan 0.000 0.504 9 A N -0.589 122.195 122.820 -0.061 0.000 1.883 9 A HA -0.076 3.778 4.320 -0.777 0.000 0.217 9 A C 2.070 179.628 177.584 -0.045 0.000 1.186 9 A CA 2.096 54.105 52.037 -0.047 0.000 0.624 9 A CB -0.569 18.407 19.000 -0.039 0.000 0.822 9 A HN 0.740 nan 8.150 nan 0.000 0.444 10 E N -0.494 119.678 120.200 -0.047 0.000 2.153 10 E HA -0.189 3.695 4.350 -0.777 0.000 0.194 10 E C 2.011 178.581 176.600 -0.050 0.000 0.988 10 E CA 1.242 57.615 56.400 -0.046 0.000 0.811 10 E CB -0.157 29.516 29.700 -0.044 0.000 0.746 10 E HN 0.745 nan 8.360 nan 0.000 0.466 11 E N 0.321 120.488 120.200 -0.056 0.000 2.072 11 E HA -0.121 3.763 4.350 -0.777 0.000 0.191 11 E C 2.177 178.752 176.600 -0.042 0.000 0.985 11 E CA 0.384 56.751 56.400 -0.055 0.000 0.801 11 E CB 0.104 29.761 29.700 -0.071 0.000 0.750 11 E HN -0.008 nan 8.360 nan 0.000 0.452 12 R N 1.019 121.495 120.500 -0.041 0.000 2.092 12 R HA -0.086 3.788 4.340 -0.777 0.000 0.231 12 R C 2.093 178.381 176.300 -0.021 0.000 1.119 12 R CA 1.145 57.229 56.100 -0.027 0.000 0.970 12 R CB -0.307 29.975 30.300 -0.031 0.000 0.864 12 R HN 0.367 nan 8.270 nan 0.000 0.440 13 Q N -0.307 119.475 119.800 -0.030 0.000 2.226 13 Q HA -0.086 3.788 4.340 -0.777 0.000 0.204 13 Q C 1.959 177.936 176.000 -0.038 0.000 0.975 13 Q CA 1.308 57.092 55.803 -0.032 0.000 0.866 13 Q CB 0.161 28.877 28.738 -0.038 0.000 0.915 13 Q HN 0.133 nan 8.270 nan 0.000 0.440 14 V N 0.245 120.133 119.914 -0.044 0.000 2.436 14 V HA -0.141 3.513 4.120 -0.777 0.000 0.240 14 V C 2.061 178.151 176.094 -0.006 0.000 1.040 14 V CA 0.917 63.178 62.300 -0.064 0.000 1.052 14 V CB -0.329 31.436 31.823 -0.097 0.000 0.707 14 V HN 0.245 nan 8.190 nan 0.000 0.469 15 L N 0.719 121.959 121.223 0.027 0.000 2.056 15 L HA -0.027 3.847 4.340 -0.777 0.000 0.207 15 L C 2.670 179.615 176.870 0.125 0.000 1.078 15 L CA 1.779 56.691 54.840 0.119 0.000 0.749 15 L CB -1.190 40.910 42.059 0.070 0.000 0.901 15 L HN 0.469 nan 8.230 nan 0.000 0.433 16 G N 0.751 109.584 108.800 0.056 0.000 2.514 16 G HA2 -0.217 3.277 3.960 -0.777 0.000 0.217 16 G HA3 -0.217 3.277 3.960 -0.777 0.000 0.217 16 G C -0.689 174.245 174.900 0.057 0.000 1.198 16 G CA 0.909 46.032 45.100 0.039 0.000 0.780 16 G HN 0.318 nan 8.290 nan 0.000 0.565 17 P HA -0.033 nan 4.420 nan 0.000 0.218 17 P C 1.572 178.951 177.300 0.131 0.000 1.149 17 P CA 0.496 63.628 63.100 0.053 0.000 0.817 17 P CB -0.122 31.577 31.700 -0.001 0.000 0.785 18 F N 0.609 120.542 119.950 -0.029 0.000 2.102 18 F HA -0.202 3.859 4.527 -0.776 0.000 0.298 18 F C 2.264 178.137 175.800 0.122 0.000 1.105 18 F CA 1.244 59.260 58.000 0.028 0.000 1.239 18 F CB -0.017 38.984 39.000 0.002 0.000 0.991 18 F HN -0.278 nan 8.300 nan 0.000 0.474 19 R N 0.251 120.777 120.500 0.043 0.000 2.091 19 R HA -0.164 3.710 4.340 -0.777 0.000 0.238 19 R C 2.089 178.318 176.300 -0.119 0.000 1.136 19 R CA 1.611 57.676 56.100 -0.059 0.000 0.959 19 R CB -0.370 29.945 30.300 0.025 0.000 0.856 19 R HN 0.298 nan 8.270 nan 0.000 0.437 20 E N 0.150 120.329 120.200 -0.035 0.000 2.077 20 E HA -0.200 3.684 4.350 -0.777 0.000 0.193 20 E C 1.726 178.278 176.600 -0.080 0.000 0.989 20 E CA 0.964 57.332 56.400 -0.052 0.000 0.800 20 E CB -0.305 29.398 29.700 0.005 0.000 0.746 20 E HN 0.285 nan 8.360 nan 0.000 0.452 21 F N 1.729 121.608 119.950 -0.118 0.000 2.102 21 F HA -0.179 3.883 4.527 -0.776 0.000 0.298 21 F C 2.118 177.804 175.800 -0.191 0.000 1.105 21 F CA 1.240 59.196 58.000 -0.074 0.000 1.239 21 F CB -0.392 38.640 39.000 0.054 0.000 0.991 21 F HN -0.095 nan 8.300 nan 0.000 0.474 22 L N 0.490 121.435 121.223 -0.464 0.000 2.012 22 L HA -0.264 3.610 4.340 -0.777 0.000 0.210 22 L C 2.652 179.001 176.870 -0.870 0.000 1.073 22 L CA 2.095 56.526 54.840 -0.681 0.000 0.748 22 L CB -0.928 40.783 42.059 -0.580 0.000 0.891 22 L HN 0.159 nan 8.230 nan 0.000 0.431 23 K N 0.226 120.098 120.400 -0.879 0.000 2.097 23 K HA -0.187 3.667 4.320 -0.777 0.000 0.206 23 K C 2.006 178.359 176.600 -0.412 0.000 1.049 23 K CA 1.464 57.307 56.287 -0.739 0.000 0.933 23 K CB -0.031 32.233 32.500 -0.392 0.000 0.717 23 K HN 0.306 nan 8.250 nan 0.000 0.442 24 A N 0.305 122.905 122.820 -0.367 0.000 1.984 24 A HA 0.008 3.862 4.320 -0.777 0.000 0.214 24 A C 1.579 178.977 177.584 -0.310 0.000 1.173 24 A CA 0.775 52.654 52.037 -0.263 0.000 0.673 24 A CB 0.050 18.945 19.000 -0.175 0.000 0.830 24 A HN 0.247 nan 8.150 nan 0.000 0.453 25 E N -0.923 118.964 120.200 -0.522 0.000 2.372 25 E HA 0.122 4.006 4.350 -0.777 0.000 0.201 25 E C 1.749 178.111 176.600 -0.397 0.000 0.938 25 E CA 0.671 56.771 56.400 -0.499 0.000 0.944 25 E CB 0.392 29.607 29.700 -0.808 0.000 0.937 25 E HN 0.344 nan 8.360 nan 0.000 0.495 26 V N 0.968 120.618 119.914 -0.441 0.000 2.672 26 V HA 0.088 3.742 4.120 -0.777 0.000 0.242 26 V C 2.300 178.306 176.094 -0.146 0.000 1.059 26 V CA 1.255 63.403 62.300 -0.253 0.000 1.081 26 V CB -0.302 31.388 31.823 -0.221 0.000 0.752 26 V HN 0.155 nan 8.190 nan 0.000 0.472 27 A N 1.051 123.764 122.820 -0.179 0.000 1.865 27 A HA -0.153 3.701 4.320 -0.777 0.000 0.217 27 A C 0.560 178.132 177.584 -0.022 0.000 1.191 27 A CA 2.286 54.310 52.037 -0.021 0.000 0.623 27 A CB -2.047 16.949 19.000 -0.007 0.000 0.826 27 A HN 0.512 nan 8.150 nan 0.000 0.444 28 P HA -0.173 nan 4.420 nan 0.000 0.217 28 P C 1.286 178.563 177.300 -0.039 0.000 1.158 28 P CA 1.990 65.062 63.100 -0.048 0.000 0.887 28 P CB -0.283 31.376 31.700 -0.068 0.000 0.792 29 G N -1.997 106.775 108.800 -0.047 0.000 3.434 29 G HA2 0.266 3.760 3.960 -0.777 0.000 0.258 29 G HA3 0.266 3.760 3.960 -0.777 0.000 0.258 29 G C 1.288 176.169 174.900 -0.033 0.000 1.128 29 G CA 0.494 45.571 45.100 -0.038 0.000 0.792 29 G HN 0.291 nan 8.290 nan 0.000 0.539 30 A N 1.197 124.004 122.820 -0.022 0.000 1.877 30 A HA 0.253 4.107 4.320 -0.777 0.000 0.216 30 A C 2.754 180.320 177.584 -0.030 0.000 1.186 30 A CA 2.065 54.094 52.037 -0.013 0.000 0.620 30 A CB -0.640 18.376 19.000 0.025 0.000 0.822 30 A HN 0.674 nan 8.150 nan 0.000 0.443 31 A N -0.292 122.502 122.820 -0.043 0.000 1.902 31 A HA -0.211 3.643 4.320 -0.777 0.000 0.217 31 A C 2.063 179.618 177.584 -0.049 0.000 1.181 31 A CA 1.916 53.915 52.037 -0.063 0.000 0.623 31 A CB -0.578 18.375 19.000 -0.078 0.000 0.818 31 A HN 0.698 nan 8.150 nan 0.000 0.443 32 E N -0.352 119.825 120.200 -0.038 0.000 2.072 32 E HA -0.197 3.687 4.350 -0.777 0.000 0.191 32 E C 2.238 178.825 176.600 -0.021 0.000 0.985 32 E CA 0.963 57.346 56.400 -0.028 0.000 0.801 32 E CB -0.131 29.556 29.700 -0.022 0.000 0.750 32 E HN 0.581 nan 8.360 nan 0.000 0.452 33 R N 0.333 120.819 120.500 -0.024 0.000 2.120 33 R HA -0.149 3.725 4.340 -0.777 0.000 0.234 33 R C 2.071 178.362 176.300 -0.016 0.000 1.123 33 R CA 1.533 57.621 56.100 -0.020 0.000 0.975 33 R CB -0.300 29.979 30.300 -0.036 0.000 0.866 33 R HN 0.282 nan 8.270 nan 0.000 0.446 34 D N 0.273 120.658 120.400 -0.024 0.000 2.219 34 D HA -0.133 4.041 4.640 -0.777 0.000 0.205 34 D C 1.779 178.067 176.300 -0.019 0.000 0.970 34 D CA 1.142 55.128 54.000 -0.024 0.000 0.851 34 D CB 0.248 41.024 40.800 -0.040 0.000 0.943 34 D HN 0.042 nan 8.370 nan 0.000 0.488 35 R N -1.053 119.435 120.500 -0.021 0.000 2.090 35 R HA 0.084 3.958 4.340 -0.777 0.000 0.219 35 R C 2.418 178.718 176.300 -0.001 0.000 1.100 35 R CA 1.582 57.673 56.100 -0.016 0.000 0.991 35 R CB -0.196 30.091 30.300 -0.023 0.000 0.893 35 R HN 0.306 nan 8.270 nan 0.000 0.443 36 T N -3.663 110.894 114.554 0.005 0.000 3.035 36 T HA 0.147 4.031 4.350 -0.777 0.000 0.259 36 T C 1.571 176.290 174.700 0.032 0.000 1.078 36 T CA 0.623 62.734 62.100 0.019 0.000 1.132 36 T CB 0.344 69.226 68.868 0.023 0.000 0.900 36 T HN 0.342 nan 8.240 nan 0.000 0.480 37 G N 1.708 110.525 108.800 0.029 0.000 2.155 37 G HA2 -0.081 3.413 3.960 -0.777 0.000 0.257 37 G HA3 -0.081 3.413 3.960 -0.777 0.000 0.257 37 G C 0.271 175.214 174.900 0.072 0.000 0.983 37 G CA 0.036 45.163 45.100 0.046 0.000 0.676 37 G HN 1.276 nan 8.290 nan 0.000 0.528 38 A N 0.071 122.929 122.820 0.063 0.000 2.484 38 A HA 0.553 4.407 4.320 -0.777 0.000 0.268 38 A C 0.271 177.906 177.584 0.085 0.000 1.114 38 A CA -0.194 51.901 52.037 0.097 0.000 0.780 38 A CB -0.030 19.018 19.000 0.081 0.000 1.061 38 A HN 1.275 nan 8.150 nan 0.000 0.505 39 F N 6.259 126.191 119.950 -0.030 0.000 2.590 39 F HA 0.212 4.272 4.527 -0.779 0.000 0.389 39 F C -1.175 174.509 175.800 -0.193 0.000 1.049 39 F CA -1.399 56.497 58.000 -0.173 0.000 1.199 39 F CB 0.800 39.613 39.000 -0.312 0.000 1.058 39 F HN 0.471 nan 8.300 nan 0.000 0.556 40 P HA -0.058 nan 4.420 nan 0.000 0.235 40 P C 0.234 177.299 177.300 -0.393 0.000 1.765 40 P CA 0.274 63.113 63.100 -0.434 0.000 1.034 40 P CB -0.444 31.029 31.700 -0.379 0.000 1.984 41 W N 2.035 123.297 121.300 -0.064 0.000 2.338 41 W HA -0.216 3.980 4.660 -0.773 0.000 0.304 41 W C 2.239 178.755 176.519 -0.005 0.000 1.212 41 W CA 1.476 58.852 57.345 0.052 0.000 1.264 41 W CB -0.490 29.055 29.460 0.141 0.000 1.142 41 W HN 0.256 nan 8.180 nan 0.000 0.512 42 D N 0.567 121.096 120.400 0.215 0.000 2.106 42 D HA -0.230 3.943 4.640 -0.777 0.000 0.191 42 D C 1.869 178.220 176.300 0.086 0.000 0.997 42 D CA 1.774 55.849 54.000 0.125 0.000 0.834 42 D CB -1.120 39.732 40.800 0.087 0.000 0.956 42 D HN 0.240 nan 8.370 nan 0.000 0.448 43 L N 0.238 121.489 121.223 0.048 0.000 2.156 43 L HA -0.087 3.787 4.340 -0.777 0.000 0.208 43 L C 2.933 179.863 176.870 0.099 0.000 1.095 43 L CA 0.411 55.297 54.840 0.077 0.000 0.770 43 L CB -0.281 41.795 42.059 0.029 0.000 0.914 43 L HN -0.046 nan 8.230 nan 0.000 0.439 44 V N 0.230 120.164 119.914 0.032 0.000 2.295 44 V HA -0.320 3.334 4.120 -0.777 0.000 0.246 44 V C 2.724 178.834 176.094 0.027 0.000 1.049 44 V CA 2.118 64.446 62.300 0.046 0.000 1.024 44 V CB -0.629 31.111 31.823 -0.139 0.000 0.648 44 V HN 0.470 nan 8.190 nan 0.000 0.447 45 R N 0.317 120.844 120.500 0.044 0.000 2.083 45 R HA -0.207 3.667 4.340 -0.777 0.000 0.237 45 R C 2.347 178.612 176.300 -0.058 0.000 1.137 45 R CA 1.904 58.011 56.100 0.011 0.000 0.951 45 R CB -0.230 30.105 30.300 0.057 0.000 0.851 45 R HN 0.468 nan 8.270 nan 0.000 0.434 46 K N 0.132 120.496 120.400 -0.061 0.000 2.097 46 K HA -0.096 3.758 4.320 -0.777 0.000 0.205 46 K C 2.108 178.337 176.600 -0.618 0.000 1.050 46 K CA 1.295 57.434 56.287 -0.247 0.000 0.938 46 K CB -0.067 32.424 32.500 -0.014 0.000 0.718 46 K HN 0.240 nan 8.250 nan 0.000 0.442 47 L N 0.335 121.435 121.223 -0.205 0.000 2.109 47 L HA -0.102 3.772 4.340 -0.777 0.000 0.207 47 L C 2.533 179.420 176.870 0.028 0.000 1.086 47 L CA 0.736 55.523 54.840 -0.089 0.000 0.760 47 L CB -0.471 41.766 42.059 0.296 0.000 0.910 47 L HN 0.186 nan 8.230 nan 0.000 0.437 48 A N 0.171 123.088 122.820 0.163 0.000 1.940 48 A HA -0.232 3.622 4.320 -0.777 0.000 0.219 48 A C 2.034 179.648 177.584 0.050 0.000 1.176 48 A CA 1.621 53.778 52.037 0.201 0.000 0.631 48 A CB -0.450 18.562 19.000 0.020 0.000 0.814 48 A HN 0.487 nan 8.150 nan 0.000 0.446 49 E N -1.175 118.946 120.200 -0.130 0.000 2.401 49 E HA -0.128 3.756 4.350 -0.777 0.000 0.199 49 E C 0.665 177.355 176.600 0.149 0.000 1.023 49 E CA 0.629 56.976 56.400 -0.087 0.000 0.859 49 E CB -0.173 29.394 29.700 -0.221 0.000 0.780 49 E HN 0.689 nan 8.360 nan 0.000 0.523 50 F N -0.341 119.598 119.950 -0.019 0.000 2.727 50 F HA 0.284 4.344 4.527 -0.778 0.000 0.302 50 F C 1.705 177.471 175.800 -0.057 0.000 1.097 50 F CA 0.241 58.199 58.000 -0.071 0.000 1.330 50 F CB 0.095 39.018 39.000 -0.129 0.000 1.084 50 F HN 0.012 nan 8.300 nan 0.000 0.578 51 G N 0.405 109.312 108.800 0.180 0.000 2.179 51 G HA2 -0.296 3.197 3.960 -0.777 0.000 0.257 51 G HA3 -0.296 3.197 3.960 -0.777 0.000 0.257 51 G C 1.211 176.154 174.900 0.071 0.000 1.010 51 G CA 0.528 45.695 45.100 0.112 0.000 0.736 51 G HN 0.235 nan 8.290 nan 0.000 0.513 52 V N -0.912 119.053 119.914 0.085 0.000 2.515 52 V HA -0.018 3.636 4.120 -0.777 0.000 0.250 52 V C 2.168 178.160 176.094 -0.171 0.000 1.058 52 V CA 2.147 64.415 62.300 -0.052 0.000 1.064 52 V CB -0.464 31.314 31.823 -0.076 0.000 0.675 52 V HN 0.429 nan 8.190 nan 0.000 0.461 53 F N 0.403 120.375 119.950 0.036 0.000 2.773 53 F HA 0.340 4.401 4.527 -0.778 0.000 0.304 53 F C 1.687 177.565 175.800 0.130 0.000 1.129 53 F CA 0.735 58.751 58.000 0.028 0.000 1.378 53 F CB 0.171 39.056 39.000 -0.191 0.000 1.095 53 F HN 0.189 nan 8.300 nan 0.000 0.565 54 G N -1.161 107.718 108.800 0.132 0.000 4.424 54 G HA2 0.354 3.848 3.960 -0.777 0.000 0.287 54 G HA3 0.354 3.848 3.960 -0.777 0.000 0.287 54 G C 1.334 176.190 174.900 -0.074 0.000 1.023 54 G CA 0.364 45.502 45.100 0.063 0.000 0.790 54 G HN 0.236 nan 8.290 nan 0.000 0.468 55 A N 0.700 123.397 122.820 -0.206 0.000 1.903 55 A HA -0.061 3.793 4.320 -0.777 0.000 0.219 55 A C 2.087 179.485 177.584 -0.310 0.000 1.191 55 A CA 1.388 53.242 52.037 -0.305 0.000 0.638 55 A CB -0.303 18.355 19.000 -0.572 0.000 0.823 55 A HN 0.422 nan 8.150 nan 0.000 0.451 56 L N -0.355 120.621 121.223 -0.412 0.000 2.529 56 L HA 0.090 3.964 4.340 -0.777 0.000 0.223 56 L C 0.012 176.805 176.870 -0.127 0.000 1.113 56 L CA -0.389 54.287 54.840 -0.273 0.000 0.861 56 L CB 0.016 41.876 42.059 -0.331 0.000 1.012 56 L HN 0.070 nan 8.230 nan 0.000 0.461 57 V N 1.637 121.499 119.914 -0.087 0.000 2.521 57 V HA 0.115 3.769 4.120 -0.777 0.000 0.286 57 V C -1.911 174.222 176.094 0.064 0.000 1.034 57 V CA -1.336 60.972 62.300 0.013 0.000 1.045 57 V CB 0.321 32.172 31.823 0.047 0.000 0.974 57 V HN -0.005 nan 8.190 nan 0.000 0.480 58 P HA 0.024 nan 4.420 nan 0.000 0.266 58 P C 0.821 178.163 177.300 0.070 0.000 1.193 58 P CA 0.161 63.326 63.100 0.108 0.000 0.770 58 P CB 0.544 32.345 31.700 0.168 0.000 0.836 59 E N 1.936 122.137 120.200 0.003 0.000 2.160 59 E HA -0.214 3.670 4.350 -0.777 0.000 0.195 59 E C 1.852 178.415 176.600 -0.061 0.000 0.991 59 E CA 1.363 57.753 56.400 -0.015 0.000 0.810 59 E CB -0.348 29.336 29.700 -0.026 0.000 0.742 59 E HN 0.488 nan 8.360 nan 0.000 0.466 60 A N 0.454 123.175 122.820 -0.165 0.000 2.070 60 A HA -0.162 3.692 4.320 -0.777 0.000 0.220 60 A C 1.110 178.440 177.584 -0.424 0.000 1.159 60 A CA 1.118 52.954 52.037 -0.336 0.000 0.656 60 A CB -0.374 18.318 19.000 -0.514 0.000 0.800 60 A HN 0.271 nan 8.150 nan 0.000 0.453 61 Y N -1.399 118.913 120.300 0.021 0.000 2.555 61 Y HA 0.412 4.496 4.550 -0.777 0.000 0.259 61 Y C 1.625 177.548 175.900 0.039 0.000 1.179 61 Y CA -0.162 57.957 58.100 0.032 0.000 1.230 61 Y CB 0.161 38.642 38.460 0.036 0.000 1.146 61 Y HN 0.384 nan 8.280 nan 0.000 0.526 62 G N -0.408 108.459 108.800 0.111 0.000 2.144 62 G HA2 -0.178 3.316 3.960 -0.777 0.000 0.218 62 G HA3 -0.178 3.316 3.960 -0.777 0.000 0.218 62 G C 0.622 175.576 174.900 0.090 0.000 0.988 62 G CA -0.139 45.016 45.100 0.091 0.000 0.659 62 G HN 0.722 nan 8.290 nan 0.000 0.522 63 G N -1.266 107.588 108.800 0.090 0.000 2.568 63 G HA2 0.732 4.226 3.960 -0.777 0.000 0.293 63 G HA3 0.732 4.226 3.960 -0.777 0.000 0.293 63 G C 1.113 176.030 174.900 0.028 0.000 1.347 63 G CA 0.495 45.633 45.100 0.064 0.000 1.039 63 G HN 1.218 nan 8.290 nan 0.000 0.523 64 A N -1.712 121.109 122.820 0.001 0.000 2.178 64 A HA 0.448 4.301 4.320 -0.777 0.000 0.211 64 A C 1.923 179.490 177.584 -0.028 0.000 1.157 64 A CA 1.333 53.359 52.037 -0.018 0.000 0.780 64 A CB -0.586 18.391 19.000 -0.038 0.000 0.828 64 A HN 2.351 nan 8.150 nan 0.000 0.476 65 G N -0.267 108.517 108.800 -0.027 0.000 2.305 65 G HA2 -0.224 3.270 3.960 -0.777 0.000 0.287 65 G HA3 -0.224 3.270 3.960 -0.777 0.000 0.287 65 G C 0.047 174.925 174.900 -0.037 0.000 1.036 65 G CA 0.544 45.629 45.100 -0.025 0.000 0.887 65 G HN 0.442 nan 8.290 nan 0.000 0.505 66 L N 0.495 121.684 121.223 -0.057 0.000 2.421 66 L HA 0.507 4.381 4.340 -0.777 0.000 0.263 66 L C 1.517 178.365 176.870 -0.036 0.000 1.122 66 L CA -0.133 54.679 54.840 -0.046 0.000 0.804 66 L CB 1.177 43.209 42.059 -0.045 0.000 1.150 66 L HN 0.482 nan 8.230 nan 0.000 0.457 67 S N -0.346 115.345 115.700 -0.016 0.000 2.614 67 S HA 0.100 4.104 4.470 -0.777 0.000 0.265 67 S C 0.962 175.574 174.600 0.020 0.000 1.303 67 S CA -0.513 57.681 58.200 -0.009 0.000 1.000 67 S CB 1.305 64.500 63.200 -0.009 0.000 0.935 67 S HN 0.636 nan 8.310 nan 0.000 0.551 68 T N 1.100 115.657 114.554 0.005 0.000 2.788 68 T HA -0.109 3.775 4.350 -0.777 0.000 0.268 68 T C 1.880 176.623 174.700 0.072 0.000 1.044 68 T CA 1.482 63.606 62.100 0.040 0.000 1.139 68 T CB -0.381 68.457 68.868 -0.050 0.000 0.867 68 T HN 0.705 nan 8.240 nan 0.000 0.454 69 R N 0.498 121.018 120.500 0.035 0.000 2.080 69 R HA -0.094 3.780 4.340 -0.777 0.000 0.236 69 R C 2.393 178.717 176.300 0.040 0.000 1.137 69 R CA 1.388 57.509 56.100 0.034 0.000 0.943 69 R CB -0.546 29.741 30.300 -0.021 0.000 0.846 69 R HN 0.297 nan 8.270 nan 0.000 0.431 70 L N 0.434 121.673 121.223 0.027 0.000 2.046 70 L HA -0.115 3.759 4.340 -0.777 0.000 0.208 70 L C 2.050 178.957 176.870 0.062 0.000 1.077 70 L CA 1.610 56.462 54.840 0.021 0.000 0.747 70 L CB -0.792 41.267 42.059 -0.000 0.000 0.896 70 L HN 0.221 nan 8.230 nan 0.000 0.432 71 F N 0.464 120.372 119.950 -0.070 0.000 2.134 71 F HA -0.139 3.924 4.527 -0.775 0.000 0.299 71 F C 2.308 178.063 175.800 -0.074 0.000 1.097 71 F CA 1.283 59.232 58.000 -0.084 0.000 1.264 71 F CB -0.891 38.057 39.000 -0.088 0.000 1.001 71 F HN 0.160 nan 8.300 nan 0.000 0.479 72 A N 0.775 123.499 122.820 -0.161 0.000 1.883 72 A HA -0.231 3.623 4.320 -0.777 0.000 0.217 72 A C 2.403 179.824 177.584 -0.272 0.000 1.186 72 A CA 1.925 53.764 52.037 -0.330 0.000 0.624 72 A CB -0.830 18.080 19.000 -0.151 0.000 0.822 72 A HN 0.448 nan 8.150 nan 0.000 0.444 73 R N -1.105 119.378 120.500 -0.028 0.000 2.127 73 R HA -0.098 3.776 4.340 -0.777 0.000 0.238 73 R C 2.225 178.520 176.300 -0.008 0.000 1.134 73 R CA 1.729 57.852 56.100 0.038 0.000 0.975 73 R CB -0.394 29.937 30.300 0.051 0.000 0.865 73 R HN 0.598 nan 8.270 nan 0.000 0.447 74 M N -0.235 119.332 119.600 -0.055 0.000 2.175 74 M HA -0.120 3.894 4.480 -0.777 0.000 0.264 74 M C 2.202 178.513 176.300 0.019 0.000 1.063 74 M CA 1.184 56.518 55.300 0.057 0.000 1.119 74 M CB -0.046 32.520 32.600 -0.056 0.000 1.377 74 M HN -0.023 nan 8.290 nan 0.000 0.415 75 V N 0.577 120.316 119.914 -0.291 0.000 2.427 75 V HA -0.246 3.408 4.120 -0.777 0.000 0.248 75 V C 2.272 178.267 176.094 -0.164 0.000 1.051 75 V CA 2.016 64.132 62.300 -0.306 0.000 1.048 75 V CB -0.740 30.751 31.823 -0.553 0.000 0.666 75 V HN 0.534 nan 8.190 nan 0.000 0.456 76 E N 0.479 120.582 120.200 -0.162 0.000 2.077 76 E HA -0.233 3.651 4.350 -0.777 0.000 0.193 76 E C 2.231 178.830 176.600 -0.002 0.000 0.989 76 E CA 1.430 57.781 56.400 -0.082 0.000 0.800 76 E CB -0.205 29.480 29.700 -0.024 0.000 0.746 76 E HN 0.554 nan 8.360 nan 0.000 0.452 77 A N 1.204 124.046 122.820 0.036 0.000 1.902 77 A HA -0.159 3.695 4.320 -0.777 0.000 0.217 77 A C 2.176 179.833 177.584 0.122 0.000 1.181 77 A CA 1.395 53.472 52.037 0.067 0.000 0.623 77 A CB -0.610 18.476 19.000 0.142 0.000 0.818 77 A HN 0.345 nan 8.150 nan 0.000 0.443 78 I N -0.265 120.371 120.570 0.111 0.000 2.142 78 I HA -0.276 3.428 4.170 -0.777 0.000 0.240 78 I C 2.987 179.163 176.117 0.098 0.000 1.078 78 I CA 1.105 62.469 61.300 0.107 0.000 1.343 78 I CB -0.499 37.558 38.000 0.096 0.000 1.046 78 I HN 0.351 nan 8.210 nan 0.000 0.405 79 A N 0.144 122.980 122.820 0.026 0.000 1.986 79 A HA -0.306 3.548 4.320 -0.777 0.000 0.220 79 A C 2.286 179.846 177.584 -0.040 0.000 1.171 79 A CA 1.596 53.623 52.037 -0.016 0.000 0.640 79 A CB -1.177 17.785 19.000 -0.064 0.000 0.811 79 A HN 0.559 nan 8.150 nan 0.000 0.451 80 Y N -1.261 118.913 120.300 -0.211 0.000 2.207 80 Y HA -0.290 3.798 4.550 -0.769 0.000 0.287 80 Y C 1.875 177.477 175.900 -0.497 0.000 1.156 80 Y CA 2.338 60.178 58.100 -0.433 0.000 1.182 80 Y CB -0.188 37.932 38.460 -0.567 0.000 0.979 80 Y HN 0.454 nan 8.280 nan 0.000 0.521 81 Y N -1.967 118.395 120.300 0.103 0.000 2.558 81 Y HA 0.168 4.253 4.550 -0.775 0.000 0.273 81 Y C 0.240 176.158 175.900 0.030 0.000 1.100 81 Y CA 0.335 58.473 58.100 0.063 0.000 1.276 81 Y CB 0.747 39.237 38.460 0.052 0.000 1.196 81 Y HN -0.144 nan 8.280 nan 0.000 0.527 82 D N -0.513 119.975 120.400 0.146 0.000 2.470 82 D HA 0.157 4.331 4.640 -0.777 0.000 0.233 82 D C 0.792 177.111 176.300 0.032 0.000 1.372 82 D CA 0.123 54.167 54.000 0.074 0.000 0.994 82 D CB 1.638 42.466 40.800 0.047 0.000 1.377 82 D HN 0.301 nan 8.370 nan 0.000 0.586 83 G N 2.498 111.311 108.800 0.020 0.000 2.446 83 G HA2 -0.252 3.242 3.960 -0.777 0.000 0.217 83 G HA3 -0.252 3.242 3.960 -0.777 0.000 0.217 83 G C 1.401 176.292 174.900 -0.014 0.000 1.168 83 G CA 1.282 46.377 45.100 -0.008 0.000 0.771 83 G HN 0.566 nan 8.290 nan 0.000 0.551 84 A N 0.343 123.156 122.820 -0.011 0.000 1.908 84 A HA 0.070 3.924 4.320 -0.777 0.000 0.218 84 A C 2.395 179.967 177.584 -0.019 0.000 1.181 84 A CA 1.351 53.379 52.037 -0.014 0.000 0.627 84 A CB -0.446 18.542 19.000 -0.021 0.000 0.818 84 A HN 0.361 nan 8.150 nan 0.000 0.445 85 L N -0.932 120.273 121.223 -0.029 0.000 2.093 85 L HA -0.180 3.694 4.340 -0.777 0.000 0.208 85 L C 2.998 179.867 176.870 -0.002 0.000 1.085 85 L CA 1.317 56.141 54.840 -0.026 0.000 0.755 85 L CB -0.562 41.490 42.059 -0.012 0.000 0.904 85 L HN 0.475 nan 8.230 nan 0.000 0.435 86 A N -0.136 122.680 122.820 -0.006 0.000 1.883 86 A HA -0.273 3.581 4.320 -0.777 0.000 0.217 86 A C 2.126 179.693 177.584 -0.030 0.000 1.186 86 A CA 1.825 53.845 52.037 -0.028 0.000 0.624 86 A CB -0.763 18.211 19.000 -0.044 0.000 0.822 86 A HN 0.400 nan 8.150 nan 0.000 0.444 87 L N -0.229 120.986 121.223 -0.014 0.000 2.046 87 L HA -0.114 3.760 4.340 -0.777 0.000 0.208 87 L C 2.487 179.389 176.870 0.053 0.000 1.077 87 L CA 2.777 57.619 54.840 0.005 0.000 0.747 87 L CB -1.029 41.034 42.059 0.007 0.000 0.896 87 L HN 0.394 nan 8.230 nan 0.000 0.432 88 T N -1.069 113.529 114.554 0.073 0.000 2.635 88 T HA -0.205 3.678 4.350 -0.777 0.000 0.267 88 T C 1.935 176.743 174.700 0.180 0.000 1.040 88 T CA 1.905 64.096 62.100 0.150 0.000 1.156 88 T CB -0.493 68.458 68.868 0.139 0.000 0.863 88 T HN 0.211 nan 8.240 nan 0.000 0.430 89 V N 1.508 121.459 119.914 0.061 0.000 2.307 89 V HA -0.151 3.503 4.120 -0.777 0.000 0.245 89 V C 2.866 179.038 176.094 0.130 0.000 1.045 89 V CA 1.719 63.984 62.300 -0.058 0.000 1.024 89 V CB -1.223 30.504 31.823 -0.161 0.000 0.651 89 V HN 0.544 nan 8.190 nan 0.000 0.449 90 A N 0.799 123.669 122.820 0.083 0.000 1.858 90 A HA -0.227 3.627 4.320 -0.777 0.000 0.216 90 A C 2.580 180.238 177.584 0.123 0.000 1.190 90 A CA 2.532 54.633 52.037 0.107 0.000 0.617 90 A CB -0.927 18.043 19.000 -0.051 0.000 0.827 90 A HN 0.681 nan 8.150 nan 0.000 0.443 91 S N -0.657 115.093 115.700 0.083 0.000 2.368 91 S HA -0.296 3.708 4.470 -0.777 0.000 0.225 91 S C 1.901 176.536 174.600 0.059 0.000 1.030 91 S CA 1.727 59.955 58.200 0.046 0.000 0.999 91 S CB -0.955 62.289 63.200 0.074 0.000 0.844 91 S HN 0.777 nan 8.310 nan 0.000 0.459 92 H N 2.541 121.655 119.070 0.072 0.000 2.289 92 H HA -0.069 4.021 4.556 -0.778 0.000 0.296 92 H C 2.244 177.587 175.328 0.024 0.000 1.091 92 H CA 2.389 58.492 56.048 0.092 0.000 1.274 92 H CB -0.474 29.439 29.762 0.251 0.000 1.364 92 H HN 0.396 nan 8.280 nan 0.000 0.490 93 N N -0.373 118.380 118.700 0.089 0.000 2.106 93 N HA -0.118 4.156 4.740 -0.777 0.000 0.188 93 N C 2.089 177.496 175.510 -0.170 0.000 1.029 93 N CA 1.543 54.531 53.050 -0.104 0.000 0.848 93 N CB -0.175 38.169 38.487 -0.238 0.000 1.007 93 N HN 0.330 nan 8.380 nan 0.000 0.423 94 S N 1.138 116.789 115.700 -0.082 0.000 2.357 94 S HA 0.067 4.071 4.470 -0.777 0.000 0.221 94 S C 2.111 176.517 174.600 -0.323 0.000 1.031 94 S CA 0.667 58.777 58.200 -0.150 0.000 0.982 94 S CB -0.007 63.137 63.200 -0.094 0.000 0.853 94 S HN 0.171 nan 8.310 nan 0.000 0.458 95 L N 0.748 121.730 121.223 -0.402 0.000 2.129 95 L HA 0.184 4.058 4.340 -0.777 0.000 0.200 95 L C 2.850 179.393 176.870 -0.546 0.000 1.159 95 L CA 0.841 55.211 54.840 -0.783 0.000 0.795 95 L CB -1.136 40.480 42.059 -0.739 0.000 0.951 95 L HN 0.261 nan 8.230 nan 0.000 0.463 96 A N 0.168 122.843 122.820 -0.241 0.000 1.865 96 A HA -0.214 3.640 4.320 -0.777 0.000 0.217 96 A C 2.340 179.808 177.584 -0.193 0.000 1.191 96 A CA 2.710 54.694 52.037 -0.090 0.000 0.623 96 A CB -1.244 17.675 19.000 -0.135 0.000 0.826 96 A HN 0.519 nan 8.150 nan 0.000 0.444 97 T N -0.236 114.137 114.554 -0.301 0.000 2.674 97 T HA -0.048 3.836 4.350 -0.777 0.000 0.265 97 T C 2.012 176.604 174.700 -0.181 0.000 1.039 97 T CA 1.564 63.504 62.100 -0.266 0.000 1.150 97 T CB -0.882 67.785 68.868 -0.334 0.000 0.864 97 T HN 0.611 nan 8.240 nan 0.000 0.427 98 G N 0.049 108.732 108.800 -0.196 0.000 2.442 98 G HA2 -0.297 3.197 3.960 -0.777 0.000 0.219 98 G HA3 -0.297 3.197 3.960 -0.777 0.000 0.219 98 G C 1.268 176.122 174.900 -0.077 0.000 1.141 98 G CA 1.226 46.234 45.100 -0.154 0.000 0.763 98 G HN 0.665 nan 8.290 nan 0.000 0.554 99 H N -0.138 118.821 119.070 -0.185 0.000 2.357 99 H HA 0.095 4.185 4.556 -0.777 0.000 0.301 99 H C 2.625 177.906 175.328 -0.079 0.000 1.082 99 H CA 0.842 56.839 56.048 -0.085 0.000 1.342 99 H CB 0.028 29.816 29.762 0.042 0.000 1.389 99 H HN 0.345 nan 8.280 nan 0.000 0.511 100 I N 0.222 120.790 120.570 -0.003 0.000 2.226 100 I HA -0.239 3.465 4.170 -0.777 0.000 0.245 100 I C 2.317 178.400 176.117 -0.056 0.000 1.100 100 I CA 0.573 61.822 61.300 -0.086 0.000 1.374 100 I CB -0.067 37.831 38.000 -0.170 0.000 1.057 100 I HN 0.302 nan 8.210 nan 0.000 0.413 101 L N 0.431 121.610 121.223 -0.073 0.000 2.131 101 L HA -0.179 3.695 4.340 -0.777 0.000 0.210 101 L C 2.131 178.982 176.870 -0.031 0.000 1.092 101 L CA 1.661 56.449 54.840 -0.087 0.000 0.759 101 L CB -0.458 41.550 42.059 -0.086 0.000 0.903 101 L HN 0.182 nan 8.230 nan 0.000 0.435 102 L N -0.451 120.777 121.223 0.008 0.000 2.049 102 L HA 0.115 3.989 4.340 -0.777 0.000 0.203 102 L C 2.149 179.055 176.870 0.060 0.000 1.074 102 L CA 2.083 56.944 54.840 0.035 0.000 0.749 102 L CB -0.816 41.259 42.059 0.026 0.000 0.907 102 L HN 0.174 nan 8.230 nan 0.000 0.439 103 A N -0.881 121.999 122.820 0.101 0.000 2.252 103 A HA 0.461 4.315 4.320 -0.777 0.000 0.213 103 A C 1.338 178.947 177.584 0.042 0.000 1.188 103 A CA 0.261 52.352 52.037 0.090 0.000 0.863 103 A CB -0.956 18.136 19.000 0.153 0.000 0.893 103 A HN 0.432 nan 8.150 nan 0.000 0.495 104 G N 1.066 109.877 108.800 0.019 0.000 2.441 104 G HA2 0.386 3.880 3.960 -0.777 0.000 0.243 104 G HA3 0.386 3.880 3.960 -0.777 0.000 0.243 104 G C 0.543 175.453 174.900 0.017 0.000 1.281 104 G CA 0.501 45.607 45.100 0.010 0.000 0.854 104 G HN 0.652 nan 8.290 nan 0.000 0.560 105 S N 0.708 116.429 115.700 0.035 0.000 2.617 105 S HA 0.098 4.102 4.470 -0.777 0.000 0.259 105 S C 1.352 175.975 174.600 0.039 0.000 1.301 105 S CA 0.364 58.589 58.200 0.041 0.000 0.984 105 S CB 1.262 64.492 63.200 0.051 0.000 0.954 105 S HN 0.683 nan 8.310 nan 0.000 0.572 106 E N 1.103 121.339 120.200 0.059 0.000 2.085 106 E HA -0.123 3.761 4.350 -0.777 0.000 0.194 106 E C 2.010 178.659 176.600 0.082 0.000 0.994 106 E CA 1.943 58.398 56.400 0.090 0.000 0.801 106 E CB -0.997 28.765 29.700 0.103 0.000 0.743 106 E HN 0.756 nan 8.360 nan 0.000 0.453 107 A N 0.342 123.199 122.820 0.061 0.000 1.873 107 A HA -0.233 3.621 4.320 -0.777 0.000 0.215 107 A C 2.192 179.783 177.584 0.012 0.000 1.186 107 A CA 1.787 53.850 52.037 0.045 0.000 0.616 107 A CB -0.667 18.358 19.000 0.042 0.000 0.823 107 A HN 0.396 nan 8.150 nan 0.000 0.442 108 Q N -0.252 119.567 119.800 0.032 0.000 2.096 108 Q HA -0.183 3.691 4.340 -0.777 0.000 0.204 108 Q C 2.083 178.122 176.000 0.064 0.000 0.982 108 Q CA 1.734 57.575 55.803 0.062 0.000 0.850 108 Q CB -0.223 28.643 28.738 0.213 0.000 0.901 108 Q HN 0.619 nan 8.270 nan 0.000 0.422 109 K N 0.776 121.168 120.400 -0.014 0.000 2.097 109 K HA -0.161 3.693 4.320 -0.777 0.000 0.206 109 K C 1.890 178.414 176.600 -0.127 0.000 1.049 109 K CA 1.246 57.414 56.287 -0.198 0.000 0.933 109 K CB 0.005 32.188 32.500 -0.529 0.000 0.717 109 K HN 0.289 nan 8.250 nan 0.000 0.442 110 E N 0.271 120.495 120.200 0.039 0.000 2.204 110 E HA -0.129 3.755 4.350 -0.777 0.000 0.194 110 E C 1.909 178.555 176.600 0.076 0.000 0.989 110 E CA 0.823 57.318 56.400 0.159 0.000 0.824 110 E CB 0.031 29.825 29.700 0.157 0.000 0.756 110 E HN 0.306 nan 8.360 nan 0.000 0.477 111 A N 0.369 123.166 122.820 -0.038 0.000 1.903 111 A HA -0.009 3.845 4.320 -0.777 0.000 0.213 111 A C 1.728 179.274 177.584 -0.064 0.000 1.185 111 A CA 0.732 52.697 52.037 -0.120 0.000 0.628 111 A CB -0.329 18.454 19.000 -0.362 0.000 0.830 111 A HN 0.131 nan 8.150 nan 0.000 0.446 112 F N -0.336 119.652 119.950 0.063 0.000 2.243 112 F HA 0.144 4.205 4.527 -0.776 0.000 0.287 112 F C 2.096 177.908 175.800 0.019 0.000 1.067 112 F CA 0.309 58.290 58.000 -0.032 0.000 1.304 112 F CB -0.379 38.495 39.000 -0.208 0.000 1.087 112 F HN 0.012 nan 8.300 nan 0.000 0.513 113 L N 0.418 121.739 121.223 0.163 0.000 2.034 113 L HA -0.220 3.654 4.340 -0.777 0.000 0.217 113 L C -0.600 176.364 176.870 0.157 0.000 1.077 113 L CA 1.778 56.672 54.840 0.091 0.000 0.769 113 L CB -2.148 39.885 42.059 -0.044 0.000 0.890 113 L HN 0.094 nan 8.230 nan 0.000 0.435 114 P HA -0.194 nan 4.420 nan 0.000 0.215 114 P C 1.388 178.790 177.300 0.170 0.000 1.157 114 P CA 1.558 64.762 63.100 0.173 0.000 0.874 114 P CB 0.025 31.819 31.700 0.158 0.000 0.790 115 K N -1.134 119.392 120.400 0.209 0.000 2.167 115 K HA 0.025 3.878 4.320 -0.777 0.000 0.203 115 K C 2.054 178.786 176.600 0.221 0.000 1.052 115 K CA 0.796 57.214 56.287 0.219 0.000 0.956 115 K CB -0.447 32.241 32.500 0.313 0.000 0.735 115 K HN 0.137 nan 8.250 nan 0.000 0.451 116 L N 0.316 121.679 121.223 0.234 0.000 2.072 116 L HA -0.087 3.787 4.340 -0.777 0.000 0.205 116 L C 2.501 179.583 176.870 0.353 0.000 1.079 116 L CA 0.946 55.957 54.840 0.285 0.000 0.752 116 L CB -0.426 41.719 42.059 0.143 0.000 0.906 116 L HN 0.154 nan 8.230 nan 0.000 0.436 117 A N -0.145 122.818 122.820 0.239 0.000 2.019 117 A HA -0.181 3.673 4.320 -0.777 0.000 0.219 117 A C 2.430 180.130 177.584 0.194 0.000 1.164 117 A CA 1.823 53.988 52.037 0.213 0.000 0.644 117 A CB -0.525 18.564 19.000 0.148 0.000 0.805 117 A HN 0.511 nan 8.150 nan 0.000 0.449 118 S N -2.415 113.380 115.700 0.157 0.000 2.528 118 S HA 0.369 4.373 4.470 -0.777 0.000 0.219 118 S C 1.516 176.157 174.600 0.069 0.000 0.985 118 S CA 1.122 59.389 58.200 0.111 0.000 0.914 118 S CB -0.101 63.152 63.200 0.089 0.000 0.776 118 S HN 1.860 nan 8.310 nan 0.000 0.526 119 G N 1.450 110.281 108.800 0.051 0.000 2.199 119 G HA2 -0.352 3.142 3.960 -0.777 0.000 0.254 119 G HA3 -0.352 3.142 3.960 -0.777 0.000 0.254 119 G C 0.597 175.450 174.900 -0.078 0.000 0.982 119 G CA 0.486 45.483 45.100 -0.171 0.000 0.632 119 G HN 0.554 nan 8.290 nan 0.000 0.529 120 E N 0.440 120.657 120.200 0.028 0.000 2.219 120 E HA 0.194 4.078 4.350 -0.777 0.000 0.198 120 E C 1.140 177.796 176.600 0.094 0.000 0.998 120 E CA 1.239 57.672 56.400 0.056 0.000 0.818 120 E CB -0.133 29.611 29.700 0.074 0.000 0.741 120 E HN 1.205 nan 8.360 nan 0.000 0.477 121 A N 0.766 123.663 122.820 0.128 0.000 2.414 121 A HA 0.459 4.313 4.320 -0.777 0.000 0.286 121 A C -0.904 176.790 177.584 0.183 0.000 1.073 121 A CA -0.664 51.476 52.037 0.171 0.000 0.727 121 A CB 0.895 20.053 19.000 0.264 0.000 1.215 121 A HN 0.138 nan 8.150 nan 0.000 0.430 122 L N 2.170 123.467 121.223 0.124 0.000 2.371 122 L HA 0.547 4.421 4.340 -0.777 0.000 0.272 122 L C 1.072 178.047 176.870 0.174 0.000 1.124 122 L CA -0.363 54.584 54.840 0.179 0.000 0.816 122 L CB 1.357 43.442 42.059 0.044 0.000 1.129 122 L HN 0.805 nan 8.230 nan 0.000 0.448 123 G N 1.435 110.432 108.800 0.327 0.000 2.348 123 G HA2 0.619 4.113 3.960 -0.777 0.000 0.312 123 G HA3 0.619 4.113 3.960 -0.777 0.000 0.312 123 G C -0.895 173.952 174.900 -0.088 0.000 1.126 123 G CA -0.332 44.722 45.100 -0.077 0.000 0.865 123 G HN 0.738 nan 8.290 nan 0.000 0.474 124 A N 1.543 124.212 122.820 -0.250 0.000 2.343 124 A HA 0.641 4.495 4.320 -0.777 0.000 0.316 124 A C -1.679 175.923 177.584 0.029 0.000 1.104 124 A CA -0.656 51.292 52.037 -0.147 0.000 0.768 124 A CB 1.151 19.910 19.000 -0.402 0.000 1.213 124 A HN 0.765 nan 8.150 nan 0.000 0.456 125 W N 2.972 124.231 121.300 -0.069 0.000 2.336 125 W HA 0.578 4.770 4.660 -0.779 0.000 0.315 125 W C 0.187 176.727 176.519 0.034 0.000 1.016 125 W CA -0.482 56.848 57.345 -0.025 0.000 1.318 125 W CB 1.498 30.949 29.460 -0.014 0.000 1.247 125 W HN 0.853 nan 8.180 nan 0.000 0.414 126 G N 5.989 114.696 108.800 -0.155 0.000 2.655 126 G HA2 0.356 3.850 3.960 -0.777 0.000 0.334 126 G HA3 0.356 3.850 3.960 -0.777 0.000 0.334 126 G C -0.528 174.157 174.900 -0.358 0.000 1.099 126 G CA -0.364 44.645 45.100 -0.152 0.000 1.075 126 G HN 0.661 nan 8.290 nan 0.000 0.463 127 L N 2.410 123.375 121.223 -0.431 0.000 2.515 127 L HA 0.401 4.275 4.340 -0.777 0.000 0.202 127 L C 1.372 178.159 176.870 -0.139 0.000 1.056 127 L CA 0.886 55.481 54.840 -0.408 0.000 0.847 127 L CB -0.116 41.526 42.059 -0.695 0.000 1.131 127 L HN 0.279 nan 8.230 nan 0.000 0.484 128 T N 1.995 116.519 114.554 -0.050 0.000 2.930 128 T HA 0.216 4.100 4.350 -0.777 0.000 0.306 128 T C -0.224 174.466 174.700 -0.017 0.000 1.045 128 T CA 0.084 62.201 62.100 0.028 0.000 1.134 128 T CB 0.342 69.290 68.868 0.133 0.000 0.961 128 T HN 0.302 nan 8.240 nan 0.000 0.545 129 E N 2.679 122.869 120.200 -0.017 0.000 2.359 129 E HA 0.247 4.131 4.350 -0.777 0.000 0.266 129 E C -1.875 174.682 176.600 -0.072 0.000 0.920 129 E CA -2.339 54.028 56.400 -0.056 0.000 0.788 129 E CB 1.580 31.259 29.700 -0.035 0.000 1.279 129 E HN 0.195 nan 8.360 nan 0.000 0.438 130 P HA -0.154 nan 4.420 nan 0.000 0.216 130 P C 0.896 178.177 177.300 -0.033 0.000 1.150 130 P CA 1.340 64.380 63.100 -0.101 0.000 0.843 130 P CB 0.156 31.801 31.700 -0.092 0.000 0.787 131 G N -2.058 106.731 108.800 -0.019 0.000 3.233 131 G HA2 0.228 3.722 3.960 -0.777 0.000 0.234 131 G HA3 0.228 3.722 3.960 -0.777 0.000 0.234 131 G C -0.329 174.581 174.900 0.018 0.000 1.137 131 G CA 0.215 45.316 45.100 0.002 0.000 0.763 131 G HN 0.376 nan 8.290 nan 0.000 0.549 132 S N -1.817 113.899 115.700 0.027 0.000 2.590 132 S HA 0.629 4.633 4.470 -0.777 0.000 0.286 132 S C 0.164 174.807 174.600 0.072 0.000 1.147 132 S CA 0.040 58.268 58.200 0.046 0.000 0.963 132 S CB 1.413 64.633 63.200 0.034 0.000 1.124 132 S HN 0.385 nan 8.310 nan 0.000 0.458 133 G N 1.676 110.532 108.800 0.093 0.000 2.472 133 G HA2 0.244 3.738 3.960 -0.777 0.000 0.199 133 G HA3 0.244 3.738 3.960 -0.777 0.000 0.199 133 G C 1.114 176.080 174.900 0.110 0.000 1.547 133 G CA 0.440 45.612 45.100 0.120 0.000 0.701 133 G HN 0.696 nan 8.290 nan 0.000 0.623 134 S N 0.846 116.602 115.700 0.092 0.000 2.370 134 S HA -0.095 3.908 4.470 -0.777 0.000 0.226 134 S C 1.197 175.855 174.600 0.097 0.000 1.033 134 S CA 1.397 59.648 58.200 0.085 0.000 1.011 134 S CB -0.170 63.069 63.200 0.064 0.000 0.852 134 S HN 0.404 nan 8.310 nan 0.000 0.457 135 D N 1.038 121.488 120.400 0.084 0.000 3.057 135 D HA 0.487 4.661 4.640 -0.777 0.000 0.246 135 D C 0.984 177.338 176.300 0.089 0.000 1.238 135 D CA -0.014 54.032 54.000 0.077 0.000 0.949 135 D CB -0.068 40.759 40.800 0.046 0.000 1.086 135 D HN 0.181 nan 8.370 nan 0.000 0.487 136 A N 1.391 124.306 122.820 0.159 0.000 2.024 136 A HA -0.106 3.747 4.320 -0.777 0.000 0.220 136 A C 2.135 179.823 177.584 0.173 0.000 1.164 136 A CA 1.565 53.720 52.037 0.196 0.000 0.643 136 A CB -0.374 18.796 19.000 0.284 0.000 0.806 136 A HN 0.470 nan 8.150 nan 0.000 0.451 137 A N -0.801 122.038 122.820 0.030 0.000 2.239 137 A HA 0.381 4.235 4.320 -0.777 0.000 0.209 137 A C 1.910 179.412 177.584 -0.137 0.000 1.171 137 A CA 1.195 53.051 52.037 -0.301 0.000 0.768 137 A CB -0.570 17.987 19.000 -0.738 0.000 0.790 137 A HN 1.010 nan 8.150 nan 0.000 0.478 138 A N -0.151 122.641 122.820 -0.046 0.000 2.278 138 A HA 0.457 4.311 4.320 -0.777 0.000 0.212 138 A C 0.831 178.405 177.584 -0.015 0.000 1.213 138 A CA -0.226 51.792 52.037 -0.031 0.000 0.840 138 A CB -0.973 18.021 19.000 -0.010 0.000 0.866 138 A HN 0.768 nan 8.150 nan 0.000 0.489 139 L N -3.188 118.032 121.223 -0.005 0.000 2.516 139 L HA 0.320 4.193 4.340 -0.777 0.000 0.288 139 L C 0.685 177.548 176.870 -0.011 0.000 1.246 139 L CA 0.440 55.279 54.840 -0.002 0.000 0.844 139 L CB 0.229 42.294 42.059 0.009 0.000 1.106 139 L HN -0.099 nan 8.230 nan 0.000 0.509 140 K N -0.128 120.264 120.400 -0.014 0.000 2.380 140 K HA 0.214 4.068 4.320 -0.777 0.000 0.198 140 K C 0.189 176.779 176.600 -0.017 0.000 1.070 140 K CA 0.255 56.532 56.287 -0.015 0.000 1.040 140 K CB 0.331 32.821 32.500 -0.016 0.000 0.903 140 K HN 0.874 nan 8.250 nan 0.000 0.549 141 T N 2.858 117.400 114.554 -0.021 0.000 2.934 141 T HA 0.028 3.912 4.350 -0.777 0.000 0.306 141 T C 0.026 174.713 174.700 -0.023 0.000 1.042 141 T CA 0.413 62.496 62.100 -0.029 0.000 1.145 141 T CB 0.219 69.066 68.868 -0.036 0.000 0.982 141 T HN 0.186 nan 8.240 nan 0.000 0.544 142 K N 0.712 121.093 120.400 -0.033 0.000 2.267 142 K HA 0.812 4.666 4.320 -0.777 0.000 0.246 142 K C -1.342 175.222 176.600 -0.059 0.000 0.954 142 K CA -1.249 55.026 56.287 -0.019 0.000 0.824 142 K CB 2.086 34.587 32.500 0.000 0.000 1.167 142 K HN 0.490 nan 8.250 nan 0.000 0.431 143 A N 2.388 125.187 122.820 -0.035 0.000 2.357 143 A HA 0.345 4.199 4.320 -0.777 0.000 0.295 143 A C -1.267 176.454 177.584 0.229 0.000 1.121 143 A CA -0.774 51.221 52.037 -0.069 0.000 0.742 143 A CB 0.882 19.571 19.000 -0.518 0.000 1.181 143 A HN 0.820 nan 8.150 nan 0.000 0.454 144 E N 1.306 121.633 120.200 0.212 0.000 2.216 144 E HA 0.340 4.224 4.350 -0.777 0.000 0.279 144 E C -0.529 176.181 176.600 0.184 0.000 0.997 144 E CA -0.849 55.682 56.400 0.219 0.000 0.817 144 E CB 1.500 31.251 29.700 0.085 0.000 1.096 144 E HN 0.485 nan 8.360 nan 0.000 0.393 145 K N 2.220 122.602 120.400 -0.030 0.000 2.368 145 K HA 0.163 4.017 4.320 -0.777 0.000 0.282 145 K C -0.776 175.665 176.600 -0.265 0.000 1.035 145 K CA -0.128 55.850 56.287 -0.515 0.000 0.973 145 K CB 0.399 32.519 32.500 -0.633 0.000 0.957 145 K HN 0.364 nan 8.250 nan 0.000 0.474 146 V N -0.069 119.682 119.914 -0.271 0.000 3.182 146 V HA 0.473 4.127 4.120 -0.777 0.000 0.308 146 V C -0.545 175.499 176.094 -0.083 0.000 1.240 146 V CA -1.185 61.054 62.300 -0.102 0.000 1.063 146 V CB 1.529 33.364 31.823 0.020 0.000 1.076 146 V HN 0.849 nan 8.190 nan 0.000 0.446 147 E N 0.412 120.597 120.200 -0.025 0.000 2.415 147 E HA 0.395 4.278 4.350 -0.777 0.000 0.260 147 E C 1.130 177.774 176.600 0.074 0.000 1.016 147 E CA 1.230 57.624 56.400 -0.011 0.000 0.924 147 E CB 0.096 29.783 29.700 -0.020 0.000 0.961 147 E HN 1.752 nan 8.360 nan 0.000 0.459 148 G N 2.640 111.480 108.800 0.066 0.000 2.234 148 G HA2 -0.220 3.273 3.960 -0.777 0.000 0.235 148 G HA3 -0.220 3.273 3.960 -0.777 0.000 0.235 148 G C 0.517 175.543 174.900 0.210 0.000 0.997 148 G CA -0.161 45.049 45.100 0.182 0.000 0.623 148 G HN 1.195 nan 8.290 nan 0.000 0.514 149 G N -1.593 107.230 108.800 0.040 0.000 2.601 149 G HA2 0.460 3.954 3.960 -0.777 0.000 0.080 149 G HA3 0.460 3.954 3.960 -0.777 0.000 0.080 149 G C -1.426 173.189 174.900 -0.475 0.000 1.046 149 G CA 0.257 45.244 45.100 -0.188 0.000 1.143 149 G HN 0.956 nan 8.290 nan 0.000 0.507 150 W N -0.106 120.985 121.300 -0.348 0.000 3.083 150 W HA 0.844 5.039 4.660 -0.776 0.000 0.333 150 W C -0.025 176.277 176.519 -0.362 0.000 1.217 150 W CA -0.797 56.376 57.345 -0.286 0.000 1.170 150 W CB 1.883 31.124 29.460 -0.365 0.000 1.437 150 W HN 0.488 nan 8.180 nan 0.000 0.557 151 R N 1.765 122.286 120.500 0.034 0.000 2.409 151 R HA 0.625 4.498 4.340 -0.777 0.000 0.313 151 R C -1.568 174.669 176.300 -0.104 0.000 0.953 151 R CA -0.656 55.425 56.100 -0.031 0.000 0.849 151 R CB 0.712 31.040 30.300 0.047 0.000 1.171 151 R HN 0.434 nan 8.270 nan 0.000 0.458 152 L N 3.414 124.512 121.223 -0.209 0.000 2.309 152 L HA 0.476 4.350 4.340 -0.777 0.000 0.282 152 L C -0.289 176.498 176.870 -0.139 0.000 1.036 152 L CA -0.257 54.446 54.840 -0.229 0.000 0.806 152 L CB 1.525 43.373 42.059 -0.351 0.000 1.220 152 L HN 0.573 nan 8.230 nan 0.000 0.429 153 N N 1.792 120.432 118.700 -0.100 0.000 2.371 153 N HA 0.811 5.085 4.740 -0.777 0.000 0.291 153 N C -0.412 175.063 175.510 -0.057 0.000 1.053 153 N CA -0.202 52.808 53.050 -0.067 0.000 0.870 153 N CB 2.605 41.065 38.487 -0.044 0.000 1.503 153 N HN 0.765 nan 8.380 nan 0.000 0.485 154 G N 0.144 108.913 108.800 -0.052 0.000 2.341 154 G HA2 0.213 3.707 3.960 -0.777 0.000 0.293 154 G HA3 0.213 3.707 3.960 -0.777 0.000 0.293 154 G C -1.728 173.146 174.900 -0.044 0.000 1.298 154 G CA -0.553 44.520 45.100 -0.044 0.000 0.868 154 G HN 0.329 nan 8.290 nan 0.000 0.540 155 T N 1.134 115.662 114.554 -0.043 0.000 2.886 155 T HA 0.692 4.576 4.350 -0.777 0.000 0.292 155 T C -0.771 173.896 174.700 -0.054 0.000 1.012 155 T CA -0.759 61.313 62.100 -0.048 0.000 0.982 155 T CB 1.905 70.742 68.868 -0.052 0.000 1.018 155 T HN 0.458 nan 8.240 nan 0.000 0.451 156 K N 2.205 122.574 120.400 -0.052 0.000 2.259 156 K HA 0.617 4.471 4.320 -0.777 0.000 0.249 156 K C -0.487 176.055 176.600 -0.096 0.000 0.942 156 K CA -0.870 55.382 56.287 -0.058 0.000 0.816 156 K CB 2.452 34.938 32.500 -0.024 0.000 1.155 156 K HN 0.536 nan 8.250 nan 0.000 0.428 157 Q N 0.729 120.439 119.800 -0.150 0.000 2.345 157 Q HA 0.446 4.320 4.340 -0.777 0.000 0.268 157 Q C -1.108 174.761 176.000 -0.218 0.000 1.054 157 Q CA -0.333 55.255 55.803 -0.358 0.000 0.835 157 Q CB 0.692 29.054 28.738 -0.627 0.000 1.339 157 Q HN 0.440 nan 8.270 nan 0.000 0.447 158 F N 1.955 121.933 119.950 0.046 0.000 2.969 158 F HA -0.205 3.863 4.527 -0.766 0.000 0.273 158 F C -0.625 175.217 175.800 0.070 0.000 0.986 158 F CA 0.117 58.149 58.000 0.053 0.000 0.926 158 F CB -1.553 37.476 39.000 0.050 0.000 0.887 158 F HN 0.376 nan 8.300 nan 0.000 0.816 159 I N 1.052 121.736 120.570 0.189 0.000 2.301 159 I HA 0.148 3.852 4.170 -0.777 0.000 0.292 159 I C 1.066 177.275 176.117 0.154 0.000 1.046 159 I CA -0.545 60.856 61.300 0.168 0.000 1.282 159 I CB 0.514 38.594 38.000 0.134 0.000 1.409 159 I HN 0.296 nan 8.210 nan 0.000 0.484 160 T N 3.313 117.963 114.554 0.160 0.000 2.888 160 T HA 0.183 4.067 4.350 -0.777 0.000 0.301 160 T C 0.632 175.388 174.700 0.093 0.000 1.001 160 T CA -0.139 62.038 62.100 0.129 0.000 1.147 160 T CB 0.919 69.867 68.868 0.133 0.000 0.931 160 T HN 0.556 nan 8.240 nan 0.000 0.541 161 Q N 0.859 120.693 119.800 0.056 0.000 2.424 161 Q HA -0.177 3.697 4.340 -0.777 0.000 0.234 161 Q C 1.549 177.513 176.000 -0.059 0.000 0.748 161 Q CA 1.374 57.160 55.803 -0.028 0.000 1.286 161 Q CB -1.941 26.800 28.738 0.005 0.000 1.494 161 Q HN 1.092 nan 8.270 nan 0.000 0.683 162 G N -0.176 108.643 108.800 0.031 0.000 2.513 162 G HA2 -0.338 3.156 3.960 -0.777 0.000 0.219 162 G HA3 -0.338 3.156 3.960 -0.777 0.000 0.219 162 G C 1.249 176.251 174.900 0.169 0.000 1.160 162 G CA 1.454 46.629 45.100 0.125 0.000 0.767 162 G HN 0.744 nan 8.290 nan 0.000 0.571 163 S N -0.396 115.347 115.700 0.072 0.000 2.517 163 S HA 0.133 4.137 4.470 -0.777 0.000 0.214 163 S C 1.844 176.479 174.600 0.059 0.000 0.991 163 S CA 0.863 59.117 58.200 0.091 0.000 0.906 163 S CB 0.506 63.740 63.200 0.057 0.000 0.789 163 S HN 0.752 nan 8.310 nan 0.000 0.513 164 V N -1.777 118.103 119.914 -0.057 0.000 3.578 164 V HA 0.688 4.342 4.120 -0.777 0.000 0.290 164 V C 0.786 176.895 176.094 0.026 0.000 1.376 164 V CA -0.347 61.938 62.300 -0.025 0.000 1.083 164 V CB -0.775 30.802 31.823 -0.411 0.000 0.911 164 V HN 0.528 nan 8.190 nan 0.000 0.433 165 A N 0.842 123.609 122.820 -0.089 0.000 2.351 165 A HA 0.678 4.532 4.320 -0.777 0.000 0.257 165 A C 1.412 178.960 177.584 -0.061 0.000 1.087 165 A CA 0.385 52.300 52.037 -0.203 0.000 0.798 165 A CB 0.762 19.364 19.000 -0.664 0.000 1.033 165 A HN 0.620 nan 8.150 nan 0.000 0.488 166 G N -0.245 108.559 108.800 0.007 0.000 2.762 166 G HA2 0.412 3.906 3.960 -0.777 0.000 0.209 166 G HA3 0.412 3.906 3.960 -0.777 0.000 0.209 166 G C -0.031 174.993 174.900 0.207 0.000 1.134 166 G CA 0.483 45.687 45.100 0.173 0.000 0.781 166 G HN 0.645 nan 8.290 nan 0.000 0.528 167 V N 0.390 120.275 119.914 -0.048 0.000 2.709 167 V HA 0.571 4.225 4.120 -0.777 0.000 0.308 167 V C -1.469 174.351 176.094 -0.456 0.000 1.062 167 V CA -1.007 61.172 62.300 -0.202 0.000 0.901 167 V CB 1.716 33.382 31.823 -0.262 0.000 1.003 167 V HN 0.224 nan 8.190 nan 0.000 0.425 168 Y N 2.303 122.226 120.300 -0.628 0.000 2.485 168 Y HA 0.732 4.816 4.550 -0.777 0.000 0.345 168 Y C -0.186 175.193 175.900 -0.869 0.000 0.998 168 Y CA -0.970 56.697 58.100 -0.722 0.000 1.059 168 Y CB 2.436 40.324 38.460 -0.954 0.000 1.234 168 Y HN 0.325 nan 8.280 nan 0.000 0.461 169 V N 4.165 123.888 119.914 -0.318 0.000 2.409 169 V HA 0.434 4.088 4.120 -0.777 0.000 0.290 169 V C -0.909 175.089 176.094 -0.160 0.000 1.017 169 V CA -0.733 61.413 62.300 -0.257 0.000 0.841 169 V CB 1.357 33.101 31.823 -0.133 0.000 1.003 169 V HN 0.522 nan 8.190 nan 0.000 0.426 170 V N 5.825 125.723 119.914 -0.026 0.000 2.628 170 V HA 0.569 4.223 4.120 -0.777 0.000 0.306 170 V C -0.144 175.968 176.094 0.030 0.000 1.045 170 V CA -0.692 61.610 62.300 0.005 0.000 0.905 170 V CB 2.040 33.956 31.823 0.154 0.000 0.997 170 V HN 0.768 nan 8.190 nan 0.000 0.436 171 M N 3.785 123.342 119.600 -0.072 0.000 2.209 171 M HA 0.774 4.788 4.480 -0.777 0.000 0.355 171 M C -0.124 176.201 176.300 0.042 0.000 1.171 171 M CA -0.039 55.254 55.300 -0.012 0.000 1.069 171 M CB 1.330 33.879 32.600 -0.086 0.000 1.622 171 M HN 0.862 nan 8.290 nan 0.000 0.459 172 A N 2.814 125.702 122.820 0.113 0.000 2.572 172 A HA 0.776 4.630 4.320 -0.777 0.000 0.295 172 A C -0.989 176.647 177.584 0.086 0.000 1.072 172 A CA -0.942 51.140 52.037 0.076 0.000 0.691 172 A CB 1.341 20.357 19.000 0.026 0.000 1.291 172 A HN 0.759 nan 8.150 nan 0.000 0.404 173 R N 0.517 121.043 120.500 0.044 0.000 2.389 173 R HA 0.396 4.270 4.340 -0.777 0.000 0.295 173 R C 0.790 177.130 176.300 0.067 0.000 1.075 173 R CA 0.845 56.969 56.100 0.041 0.000 1.005 173 R CB 0.482 30.793 30.300 0.017 0.000 0.987 173 R HN 0.865 nan 8.270 nan 0.000 0.452 174 T N -0.929 113.671 114.554 0.077 0.000 2.959 174 T HA 0.231 4.115 4.350 -0.777 0.000 0.254 174 T C -0.112 174.676 174.700 0.146 0.000 1.003 174 T CA -0.226 61.961 62.100 0.145 0.000 0.950 174 T CB 0.443 69.373 68.868 0.104 0.000 1.090 174 T HN 0.507 nan 8.240 nan 0.000 0.503 175 D N 2.269 122.717 120.400 0.080 0.000 2.857 175 D HA 0.350 4.524 4.640 -0.777 0.000 0.227 175 D C -3.035 173.277 176.300 0.021 0.000 1.192 175 D CA -1.433 52.603 54.000 0.059 0.000 0.857 175 D CB 2.720 43.553 40.800 0.054 0.000 1.645 175 D HN 0.060 nan 8.370 nan 0.000 0.482 176 P HA 0.145 nan 4.420 nan 0.000 0.268 176 P C -2.485 174.797 177.300 -0.030 0.000 1.205 176 P CA -0.906 62.190 63.100 -0.007 0.000 0.771 176 P CB -0.166 31.532 31.700 -0.003 0.000 0.858 177 P HA 0.169 nan 4.420 nan 0.000 0.276 177 P C -1.687 175.571 177.300 -0.070 0.000 1.230 177 P CA -1.652 61.397 63.100 -0.086 0.000 0.776 177 P CB 0.026 31.664 31.700 -0.103 0.000 0.888 178 P HA -0.094 nan 4.420 nan 0.000 0.222 178 P C 0.209 177.481 177.300 -0.048 0.000 1.147 178 P CA 1.083 64.150 63.100 -0.056 0.000 0.790 178 P CB 0.236 31.901 31.700 -0.059 0.000 0.780 179 S N -3.499 112.164 115.700 -0.062 0.000 2.656 179 S HA 0.284 4.288 4.470 -0.777 0.000 0.265 179 S C -2.723 171.844 174.600 -0.054 0.000 1.110 179 S CA -0.916 57.257 58.200 -0.045 0.000 0.821 179 S CB 1.093 64.275 63.200 -0.031 0.000 1.099 179 S HN -0.220 nan 8.310 nan 0.000 0.471 180 P HA -0.084 nan 4.420 nan 0.000 0.216 180 P C 1.277 178.561 177.300 -0.027 0.000 1.153 180 P CA 1.484 64.563 63.100 -0.034 0.000 0.844 180 P CB -0.081 31.608 31.700 -0.020 0.000 0.787 181 E N 0.690 120.883 120.200 -0.012 0.000 2.331 181 E HA -0.167 3.716 4.350 -0.777 0.000 0.199 181 E C 0.678 177.298 176.600 0.034 0.000 1.008 181 E CA 0.739 57.147 56.400 0.013 0.000 0.843 181 E CB -0.014 29.695 29.700 0.016 0.000 0.761 181 E HN 0.230 nan 8.360 nan 0.000 0.507 182 R N -0.021 120.455 120.500 -0.040 0.000 2.734 182 R HA 0.136 4.010 4.340 -0.777 0.000 0.395 182 R C 1.037 177.113 176.300 -0.374 0.000 1.096 182 R CA -0.114 55.879 56.100 -0.180 0.000 1.071 182 R CB 0.528 30.716 30.300 -0.187 0.000 1.348 182 R HN 0.064 nan 8.270 nan 0.000 0.600 183 K N -0.032 120.247 120.400 -0.202 0.000 2.362 183 K HA -0.184 3.670 4.320 -0.777 0.000 0.200 183 K C 1.140 177.565 176.600 -0.293 0.000 1.046 183 K CA 1.705 57.868 56.287 -0.207 0.000 0.952 183 K CB -0.209 32.215 32.500 -0.127 0.000 0.753 183 K HN 0.484 nan 8.250 nan 0.000 0.466 184 H N 0.268 119.148 119.070 -0.315 0.000 2.456 184 H HA -0.051 4.039 4.556 -0.777 0.000 0.296 184 H C 0.756 175.971 175.328 -0.189 0.000 1.079 184 H CA 0.436 56.173 56.048 -0.518 0.000 1.322 184 H CB -0.262 29.074 29.762 -0.709 0.000 1.388 184 H HN 0.284 nan 8.280 nan 0.000 0.538 185 Q N 0.795 120.244 119.800 -0.586 0.000 2.304 185 Q HA 0.276 4.150 4.340 -0.777 0.000 0.260 185 Q C 0.514 176.431 176.000 -0.138 0.000 0.965 185 Q CA 0.463 56.104 55.803 -0.270 0.000 0.898 185 Q CB 0.525 29.062 28.738 -0.335 0.000 1.196 185 Q HN 0.788 nan 8.270 nan 0.000 0.402 186 G N 3.744 112.518 108.800 -0.044 0.000 2.184 186 G HA2 -0.195 3.299 3.960 -0.777 0.000 0.206 186 G HA3 -0.195 3.299 3.960 -0.777 0.000 0.206 186 G C -0.011 174.891 174.900 0.003 0.000 0.995 186 G CA -0.188 44.901 45.100 -0.018 0.000 0.651 186 G HN 0.598 nan 8.290 nan 0.000 0.511 187 I N 1.920 122.502 120.570 0.020 0.000 2.396 187 I HA 0.549 4.253 4.170 -0.777 0.000 0.292 187 I C 0.382 176.517 176.117 0.030 0.000 0.999 187 I CA -0.351 60.977 61.300 0.047 0.000 1.310 187 I CB 1.689 39.753 38.000 0.106 0.000 1.404 187 I HN 0.095 nan 8.210 nan 0.000 0.496 188 S N 3.511 119.193 115.700 -0.031 0.000 2.638 188 S HA 0.829 4.833 4.470 -0.777 0.000 0.302 188 S C -0.560 173.887 174.600 -0.256 0.000 1.096 188 S CA -0.703 57.369 58.200 -0.214 0.000 0.953 188 S CB 2.086 65.001 63.200 -0.476 0.000 1.107 188 S HN 0.706 nan 8.310 nan 0.000 0.503 189 A N 1.013 123.563 122.820 -0.450 0.000 2.340 189 A HA 0.884 4.738 4.320 -0.777 0.000 0.331 189 A C -1.528 175.619 177.584 -0.727 0.000 1.140 189 A CA -0.493 51.321 52.037 -0.372 0.000 0.801 189 A CB 0.388 19.247 19.000 -0.236 0.000 1.234 189 A HN 0.598 nan 8.150 nan 0.000 0.469 190 F N 0.601 120.440 119.950 -0.184 0.000 2.557 190 F HA 0.622 4.682 4.527 -0.777 0.000 0.316 190 F C 0.443 176.213 175.800 -0.050 0.000 1.141 190 F CA -0.313 57.623 58.000 -0.107 0.000 0.922 190 F CB 2.370 41.327 39.000 -0.071 0.000 1.194 190 F HN 0.725 nan 8.300 nan 0.000 0.443 191 A N 4.133 126.980 122.820 0.046 0.000 2.317 191 A HA 0.936 4.790 4.320 -0.777 0.000 0.327 191 A C -1.335 176.262 177.584 0.022 0.000 1.178 191 A CA -0.479 51.388 52.037 -0.283 0.000 0.817 191 A CB 0.511 19.121 19.000 -0.650 0.000 1.189 191 A HN 0.747 nan 8.150 nan 0.000 0.489 192 F N -0.659 119.163 119.950 -0.213 0.000 2.703 192 F HA 0.696 4.757 4.527 -0.776 0.000 0.308 192 F C -1.196 174.668 175.800 0.107 0.000 1.126 192 F CA -1.672 56.378 58.000 0.084 0.000 0.959 192 F CB 0.528 39.600 39.000 0.120 0.000 1.297 192 F HN 0.419 nan 8.300 nan 0.000 0.441 193 F N 1.408 121.687 119.950 0.549 0.000 2.444 193 F HA 0.375 4.436 4.527 -0.777 0.000 0.331 193 F C 1.345 177.403 175.800 0.429 0.000 1.167 193 F CA -0.361 57.881 58.000 0.403 0.000 1.262 193 F CB 0.512 39.709 39.000 0.328 0.000 1.196 193 F HN 0.626 nan 8.300 nan 0.000 0.583 194 R N 3.099 123.952 120.500 0.587 0.000 2.526 194 R HA -0.016 3.858 4.340 -0.777 0.000 0.319 194 R C -2.339 174.185 176.300 0.373 0.000 0.888 194 R CA -1.068 55.333 56.100 0.501 0.000 1.127 194 R CB -0.244 30.300 30.300 0.407 0.000 0.888 194 R HN 0.197 nan 8.270 nan 0.000 0.410 195 P HA -0.012 nan 4.420 nan 0.000 0.269 195 P C -0.430 176.951 177.300 0.135 0.000 1.215 195 P CA 0.104 63.320 63.100 0.192 0.000 0.780 195 P CB 0.587 32.334 31.700 0.077 0.000 0.898 196 E N 1.007 121.273 120.200 0.109 0.000 2.299 196 E HA -0.027 3.857 4.350 -0.777 0.000 0.193 196 E C 0.560 177.190 176.600 0.050 0.000 0.998 196 E CA 0.519 56.965 56.400 0.077 0.000 0.851 196 E CB 0.080 29.820 29.700 0.066 0.000 0.795 196 E HN 0.490 nan 8.360 nan 0.000 0.492 197 R N -2.380 118.146 120.500 0.042 0.000 2.687 197 R HA 0.463 4.337 4.340 -0.777 0.000 0.265 197 R C 0.140 176.440 176.300 0.001 0.000 1.048 197 R CA -0.235 55.876 56.100 0.019 0.000 0.884 197 R CB 0.710 31.019 30.300 0.014 0.000 1.258 197 R HN 0.029 nan 8.270 nan 0.000 0.469 198 G N 0.529 109.320 108.800 -0.014 0.000 2.253 198 G HA2 -0.179 3.315 3.960 -0.777 0.000 0.209 198 G HA3 -0.179 3.315 3.960 -0.777 0.000 0.209 198 G C -0.479 174.386 174.900 -0.058 0.000 0.997 198 G CA 0.048 45.126 45.100 -0.037 0.000 0.640 198 G HN 0.492 nan 8.290 nan 0.000 0.496 199 L N 1.365 122.556 121.223 -0.053 0.000 2.305 199 L HA 0.762 4.636 4.340 -0.777 0.000 0.284 199 L C -0.280 176.568 176.870 -0.037 0.000 1.013 199 L CA -0.845 53.951 54.840 -0.073 0.000 0.819 199 L CB 1.358 43.339 42.059 -0.129 0.000 1.227 199 L HN 0.138 nan 8.230 nan 0.000 0.417 200 K N 4.352 124.735 120.400 -0.029 0.000 2.292 200 K HA 0.508 4.362 4.320 -0.777 0.000 0.257 200 K C -1.366 175.237 176.600 0.005 0.000 0.940 200 K CA -0.653 55.630 56.287 -0.006 0.000 0.811 200 K CB 1.991 34.486 32.500 -0.009 0.000 1.120 200 K HN 0.421 nan 8.250 nan 0.000 0.428 201 V N 3.208 123.137 119.914 0.025 0.000 2.546 201 V HA 0.333 3.987 4.120 -0.777 0.000 0.284 201 V C 0.966 177.076 176.094 0.026 0.000 1.050 201 V CA -0.388 61.934 62.300 0.037 0.000 0.981 201 V CB 1.251 33.109 31.823 0.058 0.000 0.990 201 V HN 0.953 nan 8.190 nan 0.000 0.474 202 G N 3.468 112.280 108.800 0.021 0.000 2.547 202 G HA2 0.489 3.983 3.960 -0.777 0.000 0.291 202 G HA3 0.489 3.983 3.960 -0.777 0.000 0.291 202 G C -0.030 174.882 174.900 0.020 0.000 1.211 202 G CA -1.020 44.087 45.100 0.011 0.000 0.950 202 G HN 0.931 nan 8.290 nan 0.000 0.504 203 R N 0.184 120.693 120.500 0.016 0.000 2.473 203 R HA 0.131 4.005 4.340 -0.777 0.000 0.315 203 R C 0.417 176.737 176.300 0.034 0.000 0.972 203 R CA -0.207 55.908 56.100 0.024 0.000 1.047 203 R CB 0.232 30.544 30.300 0.021 0.000 0.932 203 R HN 0.415 nan 8.270 nan 0.000 0.411 204 K N 3.298 123.724 120.400 0.043 0.000 2.489 204 K HA -0.071 3.783 4.320 -0.777 0.000 0.278 204 K C -0.557 176.079 176.600 0.060 0.000 1.000 204 K CA 0.218 56.538 56.287 0.056 0.000 1.012 204 K CB 0.495 33.029 32.500 0.057 0.000 0.903 204 K HN 0.901 nan 8.250 nan 0.000 0.485 205 E N 2.915 123.162 120.200 0.078 0.000 2.212 205 E HA 0.222 4.106 4.350 -0.777 0.000 0.268 205 E C -1.100 175.550 176.600 0.083 0.000 0.902 205 E CA -1.068 55.382 56.400 0.084 0.000 0.779 205 E CB 1.418 31.184 29.700 0.110 0.000 1.172 205 E HN 0.404 nan 8.360 nan 0.000 0.409 206 E N 1.816 122.056 120.200 0.066 0.000 2.338 206 E HA 0.173 4.057 4.350 -0.777 0.000 0.272 206 E C -0.662 175.970 176.600 0.053 0.000 1.029 206 E CA -0.011 56.422 56.400 0.055 0.000 0.872 206 E CB 0.843 30.569 29.700 0.042 0.000 1.015 206 E HN 0.269 nan 8.360 nan 0.000 0.417 207 K N 1.983 122.408 120.400 0.041 0.000 2.166 207 K HA 0.213 4.067 4.320 -0.777 0.000 0.245 207 K C 0.760 177.369 176.600 0.016 0.000 0.967 207 K CA -0.836 55.465 56.287 0.023 0.000 0.863 207 K CB 1.376 33.882 32.500 0.010 0.000 1.107 207 K HN 0.296 nan 8.250 nan 0.000 0.436 208 L N 0.769 121.997 121.223 0.008 0.000 2.079 208 L HA -0.075 3.799 4.340 -0.777 0.000 0.210 208 L C 0.608 177.491 176.870 0.023 0.000 1.081 208 L CA 2.097 56.955 54.840 0.029 0.000 0.752 208 L CB -0.358 41.723 42.059 0.036 0.000 0.896 208 L HN 0.825 nan 8.230 nan 0.000 0.433 209 G N -3.298 105.497 108.800 -0.009 0.000 2.782 209 G HA2 0.396 3.890 3.960 -0.777 0.000 0.304 209 G HA3 0.396 3.890 3.960 -0.777 0.000 0.304 209 G C -0.441 174.448 174.900 -0.020 0.000 1.315 209 G CA -0.329 44.763 45.100 -0.015 0.000 0.791 209 G HN 0.079 nan 8.290 nan 0.000 0.519 210 L N 0.069 121.279 121.223 -0.021 0.000 3.781 210 L HA -0.276 3.598 4.340 -0.777 0.000 0.426 210 L C 2.109 178.983 176.870 0.007 0.000 1.197 210 L CA 0.462 55.294 54.840 -0.012 0.000 0.907 210 L CB -2.211 39.835 42.059 -0.021 0.000 1.812 210 L HN 0.687 nan 8.230 nan 0.000 0.956 211 T N -0.821 113.737 114.554 0.007 0.000 2.653 211 T HA -0.297 3.587 4.350 -0.777 0.000 0.268 211 T C 1.777 176.500 174.700 0.038 0.000 1.035 211 T CA 1.932 64.045 62.100 0.021 0.000 1.154 211 T CB -0.129 68.747 68.868 0.013 0.000 0.862 211 T HN 0.693 nan 8.240 nan 0.000 0.441 212 A N 1.676 124.510 122.820 0.024 0.000 2.235 212 A HA 0.255 4.109 4.320 -0.777 0.000 0.208 212 A C 1.411 179.042 177.584 0.078 0.000 1.172 212 A CA 0.241 52.297 52.037 0.031 0.000 0.786 212 A CB -0.479 18.500 19.000 -0.035 0.000 0.804 212 A HN 0.548 nan 8.150 nan 0.000 0.479 213 S N 0.221 115.970 115.700 0.081 0.000 2.513 213 S HA 0.346 4.350 4.470 -0.777 0.000 0.276 213 S C -0.504 174.195 174.600 0.164 0.000 1.254 213 S CA -0.573 57.708 58.200 0.135 0.000 1.053 213 S CB 1.098 64.348 63.200 0.083 0.000 0.958 213 S HN 0.266 nan 8.310 nan 0.000 0.491 214 D N 2.320 122.849 120.400 0.216 0.000 2.346 214 D HA 0.225 4.399 4.640 -0.777 0.000 0.260 214 D C -0.719 175.635 176.300 0.091 0.000 1.252 214 D CA 0.460 54.515 54.000 0.091 0.000 0.895 214 D CB 0.290 41.034 40.800 -0.094 0.000 1.097 214 D HN 0.532 nan 8.370 nan 0.000 0.489 215 T N 3.166 117.780 114.554 0.101 0.000 2.892 215 T HA 0.689 4.573 4.350 -0.777 0.000 0.311 215 T C -0.625 174.152 174.700 0.128 0.000 1.033 215 T CA -0.576 61.604 62.100 0.133 0.000 0.991 215 T CB 1.128 70.088 68.868 0.154 0.000 0.981 215 T HN 0.432 nan 8.240 nan 0.000 0.457 216 A N 2.968 125.857 122.820 0.115 0.000 2.469 216 A HA 0.798 4.652 4.320 -0.777 0.000 0.299 216 A C -0.617 177.002 177.584 0.057 0.000 1.098 216 A CA -0.863 51.225 52.037 0.085 0.000 0.737 216 A CB 1.604 20.649 19.000 0.076 0.000 1.312 216 A HN 0.658 nan 8.150 nan 0.000 0.414 217 Q N 0.640 120.450 119.800 0.018 0.000 2.259 217 Q HA 0.619 4.493 4.340 -0.777 0.000 0.249 217 Q C -1.586 174.417 176.000 0.004 0.000 0.914 217 Q CA -0.275 55.510 55.803 -0.030 0.000 0.904 217 Q CB 0.692 29.394 28.738 -0.059 0.000 1.213 217 Q HN 0.670 nan 8.270 nan 0.000 0.428 218 L N 5.295 126.517 121.223 -0.003 0.000 2.333 218 L HA 0.529 4.403 4.340 -0.777 0.000 0.280 218 L C -0.641 176.217 176.870 -0.020 0.000 1.004 218 L CA -0.728 54.116 54.840 0.008 0.000 0.820 218 L CB 1.651 43.732 42.059 0.036 0.000 1.247 218 L HN 0.635 nan 8.230 nan 0.000 0.416 219 I N 4.765 125.320 120.570 -0.024 0.000 2.382 219 I HA 0.335 4.039 4.170 -0.777 0.000 0.285 219 I C -0.515 175.576 176.117 -0.043 0.000 1.007 219 I CA -0.379 60.901 61.300 -0.032 0.000 1.142 219 I CB 1.513 39.498 38.000 -0.026 0.000 1.289 219 I HN 0.370 nan 8.210 nan 0.000 0.453 220 L N 7.034 128.226 121.223 -0.052 0.000 2.265 220 L HA 0.469 4.343 4.340 -0.777 0.000 0.289 220 L C -0.260 176.573 176.870 -0.062 0.000 1.033 220 L CA -0.401 54.396 54.840 -0.071 0.000 0.814 220 L CB 0.648 42.654 42.059 -0.088 0.000 1.203 220 L HN 0.573 nan 8.230 nan 0.000 0.423 221 E N 3.595 123.761 120.200 -0.057 0.000 2.186 221 E HA 0.159 4.043 4.350 -0.777 0.000 0.255 221 E C -1.004 175.571 176.600 -0.042 0.000 0.881 221 E CA -0.656 55.718 56.400 -0.043 0.000 0.752 221 E CB 1.172 30.854 29.700 -0.031 0.000 1.176 221 E HN 0.485 nan 8.360 nan 0.000 0.421 222 D N 2.056 122.432 120.400 -0.040 0.000 2.702 222 D HA -0.208 3.966 4.640 -0.777 0.000 0.233 222 D C -0.370 175.914 176.300 -0.026 0.000 1.164 222 D CA 0.669 54.654 54.000 -0.026 0.000 0.638 222 D CB -0.652 40.142 40.800 -0.010 0.000 1.041 222 D HN 0.263 nan 8.370 nan 0.000 0.422 223 L N 0.522 121.698 121.223 -0.079 0.000 2.410 223 L HA 0.370 4.244 4.340 -0.777 0.000 0.273 223 L C -0.460 176.341 176.870 -0.115 0.000 1.144 223 L CA -0.183 54.585 54.840 -0.119 0.000 0.863 223 L CB 0.423 42.343 42.059 -0.231 0.000 1.140 223 L HN 0.047 nan 8.230 nan 0.000 0.463 224 F N 6.743 126.587 119.950 -0.177 0.000 2.420 224 F HA 0.671 4.732 4.527 -0.777 0.000 0.342 224 F C -0.573 175.122 175.800 -0.176 0.000 1.113 224 F CA -0.534 57.382 58.000 -0.140 0.000 1.059 224 F CB 1.333 40.288 39.000 -0.075 0.000 1.128 224 F HN 0.450 nan 8.300 nan 0.000 0.475 225 V N 4.475 123.697 119.914 -1.153 0.000 2.876 225 V HA 0.727 4.381 4.120 -0.777 0.000 0.312 225 V C -2.808 172.736 176.094 -0.917 0.000 1.085 225 V CA -2.371 59.458 62.300 -0.785 0.000 0.945 225 V CB 1.587 33.090 31.823 -0.534 0.000 1.017 225 V HN 0.682 nan 8.190 nan 0.000 0.428 226 P HA 0.255 nan 4.420 nan 0.000 0.274 226 P C 0.390 177.772 177.300 0.136 0.000 1.256 226 P CA 0.079 63.161 63.100 -0.030 0.000 0.795 226 P CB 1.420 33.221 31.700 0.168 0.000 1.038 227 E N 0.740 121.047 120.200 0.179 0.000 2.097 227 E HA -0.232 3.652 4.350 -0.777 0.000 0.196 227 E C 1.429 178.196 176.600 0.278 0.000 1.000 227 E CA 1.810 58.363 56.400 0.255 0.000 0.804 227 E CB -0.720 29.075 29.700 0.158 0.000 0.740 227 E HN 0.431 nan 8.360 nan 0.000 0.454 228 E N -0.705 119.620 120.200 0.208 0.000 2.515 228 E HA -0.024 3.860 4.350 -0.777 0.000 0.201 228 E C 1.336 178.073 176.600 0.227 0.000 1.071 228 E CA 0.689 57.203 56.400 0.189 0.000 0.880 228 E CB -0.165 29.629 29.700 0.156 0.000 0.828 228 E HN 0.351 nan 8.360 nan 0.000 0.540 229 A N 0.330 123.310 122.820 0.266 0.000 1.970 229 A HA 0.025 3.879 4.320 -0.777 0.000 0.216 229 A C 1.030 178.719 177.584 0.174 0.000 1.170 229 A CA -0.159 52.057 52.037 0.298 0.000 0.645 229 A CB -0.208 18.987 19.000 0.325 0.000 0.816 229 A HN 0.293 nan 8.150 nan 0.000 0.447 230 L N 0.821 122.092 121.223 0.081 0.000 2.615 230 L HA 0.233 4.107 4.340 -0.777 0.000 0.271 230 L C -0.335 176.399 176.870 -0.227 0.000 1.183 230 L CA 0.215 54.861 54.840 -0.323 0.000 0.933 230 L CB 0.141 42.098 42.059 -0.170 0.000 1.199 230 L HN 0.268 nan 8.230 nan 0.000 0.487 231 L N 7.260 128.270 121.223 -0.356 0.000 2.262 231 L HA 0.798 4.672 4.340 -0.777 0.000 0.288 231 L C 0.413 177.180 176.870 -0.172 0.000 1.035 231 L CA 0.970 55.676 54.840 -0.225 0.000 0.820 231 L CB 0.339 42.207 42.059 -0.319 0.000 1.204 231 L HN 0.950 nan 8.230 nan 0.000 0.424 232 G N 3.905 112.660 108.800 -0.075 0.000 2.725 232 G HA2 -0.169 3.325 3.960 -0.777 0.000 0.220 232 G HA3 -0.169 3.325 3.960 -0.777 0.000 0.220 232 G C -0.592 174.277 174.900 -0.053 0.000 1.357 232 G CA -0.437 44.647 45.100 -0.026 0.000 0.866 232 G HN 0.723 nan 8.290 nan 0.000 0.548 233 E N 0.060 120.247 120.200 -0.023 0.000 2.366 233 E HA 0.317 4.201 4.350 -0.777 0.000 0.266 233 E C 1.028 177.600 176.600 -0.047 0.000 1.051 233 E CA -0.600 55.788 56.400 -0.020 0.000 0.884 233 E CB 0.898 30.599 29.700 0.002 0.000 1.006 233 E HN 0.613 nan 8.360 nan 0.000 0.417 234 R N 1.006 121.487 120.500 -0.032 0.000 2.502 234 R HA 0.007 3.881 4.340 -0.777 0.000 0.292 234 R C 0.825 177.119 176.300 -0.010 0.000 0.998 234 R CA 1.220 57.295 56.100 -0.040 0.000 1.056 234 R CB -0.157 30.186 30.300 0.072 0.000 0.939 234 R HN 0.819 nan 8.270 nan 0.000 0.411 235 G N 3.598 112.380 108.800 -0.030 0.000 2.189 235 G HA2 -0.332 3.162 3.960 -0.777 0.000 0.267 235 G HA3 -0.332 3.162 3.960 -0.777 0.000 0.267 235 G C 0.390 175.314 174.900 0.041 0.000 0.975 235 G CA 0.793 45.899 45.100 0.010 0.000 0.644 235 G HN 0.688 nan 8.290 nan 0.000 0.537 236 K N -0.071 120.356 120.400 0.044 0.000 2.438 236 K HA 0.340 4.194 4.320 -0.777 0.000 0.205 236 K C 2.138 178.821 176.600 0.138 0.000 1.033 236 K CA 0.308 56.651 56.287 0.093 0.000 1.089 236 K CB 0.669 33.200 32.500 0.051 0.000 0.857 236 K HN 0.236 nan 8.250 nan 0.000 0.522 237 G N 0.527 109.395 108.800 0.115 0.000 2.509 237 G HA2 -0.219 3.275 3.960 -0.777 0.000 0.218 237 G HA3 -0.219 3.275 3.960 -0.777 0.000 0.218 237 G C 1.098 176.125 174.900 0.211 0.000 1.124 237 G CA 0.170 45.355 45.100 0.142 0.000 0.776 237 G HN 0.249 nan 8.290 nan 0.000 0.547 238 F N -0.042 119.977 119.950 0.114 0.000 2.171 238 F HA -0.048 4.012 4.527 -0.777 0.000 0.300 238 F C 2.265 178.127 175.800 0.103 0.000 1.090 238 F CA 1.225 59.291 58.000 0.111 0.000 1.293 238 F CB -0.012 39.076 39.000 0.146 0.000 1.013 238 F HN 0.224 nan 8.300 nan 0.000 0.486 239 Y N 1.171 121.528 120.300 0.096 0.000 2.224 239 Y HA -0.256 3.828 4.550 -0.775 0.000 0.289 239 Y C 2.062 177.894 175.900 -0.113 0.000 1.146 239 Y CA 1.998 60.086 58.100 -0.020 0.000 1.182 239 Y CB -0.604 37.877 38.460 0.034 0.000 0.983 239 Y HN 0.047 nan 8.280 nan 0.000 0.524 240 D N -0.699 119.760 120.400 0.099 0.000 2.144 240 D HA -0.159 4.015 4.640 -0.777 0.000 0.200 240 D C 2.419 178.548 176.300 -0.284 0.000 0.978 240 D CA 1.334 55.305 54.000 -0.047 0.000 0.833 240 D CB -0.429 40.403 40.800 0.053 0.000 0.961 240 D HN 0.316 nan 8.370 nan 0.000 0.470 241 V N 1.182 120.939 119.914 -0.261 0.000 2.295 241 V HA -0.228 3.426 4.120 -0.777 0.000 0.246 241 V C 2.613 178.528 176.094 -0.298 0.000 1.049 241 V CA 1.232 63.402 62.300 -0.217 0.000 1.024 241 V CB -0.455 31.178 31.823 -0.318 0.000 0.648 241 V HN 0.189 nan 8.190 nan 0.000 0.447 242 L N -0.727 120.205 121.223 -0.485 0.000 2.046 242 L HA -0.136 3.738 4.340 -0.777 0.000 0.208 242 L C 2.829 179.464 176.870 -0.392 0.000 1.077 242 L CA 1.342 55.917 54.840 -0.441 0.000 0.747 242 L CB -0.702 41.053 42.059 -0.505 0.000 0.896 242 L HN 0.218 nan 8.230 nan 0.000 0.432 243 R N -0.104 120.134 120.500 -0.437 0.000 2.096 243 R HA -0.103 3.771 4.340 -0.777 0.000 0.235 243 R C 2.250 178.400 176.300 -0.250 0.000 1.127 243 R CA 1.111 57.000 56.100 -0.351 0.000 0.968 243 R CB -1.016 29.119 30.300 -0.276 0.000 0.861 243 R HN 0.258 nan 8.270 nan 0.000 0.440 244 V N 1.677 121.415 119.914 -0.293 0.000 2.343 244 V HA -0.190 3.464 4.120 -0.777 0.000 0.247 244 V C 2.495 178.393 176.094 -0.328 0.000 1.051 244 V CA 1.425 63.523 62.300 -0.337 0.000 1.036 244 V CB -0.419 31.098 31.823 -0.511 0.000 0.654 244 V HN 0.199 nan 8.190 nan 0.000 0.451 245 L N -0.429 120.620 121.223 -0.290 0.000 2.093 245 L HA -0.157 3.717 4.340 -0.777 0.000 0.208 245 L C 2.367 179.153 176.870 -0.140 0.000 1.085 245 L CA 1.319 56.028 54.840 -0.218 0.000 0.755 245 L CB -0.687 41.290 42.059 -0.138 0.000 0.904 245 L HN 0.340 nan 8.230 nan 0.000 0.435 246 D N 0.190 120.497 120.400 -0.156 0.000 2.104 246 D HA -0.169 4.005 4.640 -0.777 0.000 0.194 246 D C 2.082 178.490 176.300 0.179 0.000 0.994 246 D CA 1.680 55.621 54.000 -0.099 0.000 0.830 246 D CB -0.375 40.168 40.800 -0.428 0.000 0.959 246 D HN 0.354 nan 8.370 nan 0.000 0.452 247 G N 0.269 109.185 108.800 0.194 0.000 2.404 247 G HA2 -0.160 3.334 3.960 -0.777 0.000 0.215 247 G HA3 -0.160 3.334 3.960 -0.777 0.000 0.215 247 G C 1.729 176.652 174.900 0.038 0.000 1.174 247 G CA 1.068 46.279 45.100 0.186 0.000 0.780 247 G HN 0.403 nan 8.290 nan 0.000 0.537 248 G N 0.557 109.320 108.800 -0.062 0.000 2.442 248 G HA2 -0.205 3.289 3.960 -0.777 0.000 0.219 248 G HA3 -0.205 3.289 3.960 -0.777 0.000 0.219 248 G C 1.918 176.784 174.900 -0.057 0.000 1.141 248 G CA 0.808 45.852 45.100 -0.094 0.000 0.763 248 G HN 0.446 nan 8.290 nan 0.000 0.554 249 R N -0.181 120.301 120.500 -0.031 0.000 2.127 249 R HA 0.012 3.886 4.340 -0.777 0.000 0.238 249 R C 2.492 178.787 176.300 -0.008 0.000 1.134 249 R CA 0.998 57.090 56.100 -0.014 0.000 0.975 249 R CB -0.343 29.962 30.300 0.010 0.000 0.865 249 R HN 0.419 nan 8.270 nan 0.000 0.447 250 I N -0.441 120.137 120.570 0.013 0.000 2.315 250 I HA -0.153 3.551 4.170 -0.777 0.000 0.248 250 I C 2.471 178.497 176.117 -0.152 0.000 1.117 250 I CA 1.391 62.683 61.300 -0.013 0.000 1.404 250 I CB -0.533 37.477 38.000 0.017 0.000 1.071 250 I HN 0.293 nan 8.210 nan 0.000 0.419 251 G N 1.195 109.911 108.800 -0.140 0.000 2.421 251 G HA2 -0.134 3.360 3.960 -0.777 0.000 0.217 251 G HA3 -0.134 3.360 3.960 -0.777 0.000 0.217 251 G C 1.565 176.328 174.900 -0.229 0.000 1.143 251 G CA 0.236 45.196 45.100 -0.234 0.000 0.784 251 G HN 0.163 nan 8.290 nan 0.000 0.541 252 I N 1.782 122.264 120.570 -0.147 0.000 2.439 252 I HA -0.022 3.682 4.170 -0.777 0.000 0.251 252 I C 3.128 179.164 176.117 -0.135 0.000 1.139 252 I CA 0.888 62.113 61.300 -0.124 0.000 1.438 252 I CB -1.205 36.747 38.000 -0.080 0.000 1.085 252 I HN 0.239 nan 8.210 nan 0.000 0.427 253 A N 1.077 123.817 122.820 -0.133 0.000 1.873 253 A HA -0.088 3.766 4.320 -0.777 0.000 0.215 253 A C 2.597 180.051 177.584 -0.217 0.000 1.186 253 A CA 1.892 53.873 52.037 -0.093 0.000 0.616 253 A CB -0.782 18.222 19.000 0.007 0.000 0.823 253 A HN 0.380 nan 8.150 nan 0.000 0.442 254 A N -0.455 122.049 122.820 -0.527 0.000 1.902 254 A HA -0.170 3.684 4.320 -0.777 0.000 0.217 254 A C 2.301 179.684 177.584 -0.333 0.000 1.181 254 A CA 2.017 53.596 52.037 -0.762 0.000 0.623 254 A CB -0.581 17.843 19.000 -0.960 0.000 0.818 254 A HN 0.671 nan 8.150 nan 0.000 0.443 255 M N -0.289 119.154 119.600 -0.263 0.000 2.117 255 M HA -0.130 3.884 4.480 -0.777 0.000 0.262 255 M C 2.236 178.460 176.300 -0.127 0.000 1.065 255 M CA 1.857 57.055 55.300 -0.171 0.000 1.114 255 M CB -0.273 32.237 32.600 -0.150 0.000 1.361 255 M HN 0.393 nan 8.290 nan 0.000 0.408 256 A N -0.140 122.610 122.820 -0.116 0.000 1.877 256 A HA -0.118 3.736 4.320 -0.777 0.000 0.216 256 A C 2.058 179.604 177.584 -0.063 0.000 1.186 256 A CA 1.949 53.931 52.037 -0.092 0.000 0.620 256 A CB -1.211 17.743 19.000 -0.076 0.000 0.822 256 A HN 0.438 nan 8.150 nan 0.000 0.443 257 V N 0.000 119.900 119.914 -0.024 0.000 2.332 257 V HA -0.208 3.446 4.120 -0.777 0.000 0.248 257 V C 2.798 178.898 176.094 0.011 0.000 1.055 257 V CA 1.980 64.303 62.300 0.039 0.000 1.038 257 V CB -1.459 30.464 31.823 0.166 0.000 0.651 257 V HN 0.631 nan 8.190 nan 0.000 0.450 258 G N -0.307 108.482 108.800 -0.019 0.000 2.421 258 G HA2 -0.219 3.275 3.960 -0.777 0.000 0.216 258 G HA3 -0.219 3.275 3.960 -0.777 0.000 0.216 258 G C 1.592 176.427 174.900 -0.108 0.000 1.171 258 G CA 0.997 46.095 45.100 -0.003 0.000 0.775 258 G HN 0.474 nan 8.290 nan 0.000 0.543 259 L N 0.724 121.847 121.223 -0.168 0.000 2.093 259 L HA 0.075 3.949 4.340 -0.777 0.000 0.208 259 L C 3.143 179.822 176.870 -0.317 0.000 1.085 259 L CA 1.006 55.672 54.840 -0.289 0.000 0.755 259 L CB -0.489 41.471 42.059 -0.165 0.000 0.904 259 L HN 0.313 nan 8.230 nan 0.000 0.435 260 G N -1.107 107.597 108.800 -0.161 0.000 2.408 260 G HA2 -0.292 3.202 3.960 -0.777 0.000 0.217 260 G HA3 -0.292 3.202 3.960 -0.777 0.000 0.217 260 G C 1.526 176.363 174.900 -0.105 0.000 1.150 260 G CA 0.492 45.530 45.100 -0.103 0.000 0.776 260 G HN 0.252 nan 8.290 nan 0.000 0.542 261 Q N 0.837 120.591 119.800 -0.077 0.000 2.079 261 Q HA 0.136 4.009 4.340 -0.777 0.000 0.200 261 Q C 2.667 178.611 176.000 -0.093 0.000 0.974 261 Q CA 1.863 57.672 55.803 0.011 0.000 0.840 261 Q CB -0.623 28.201 28.738 0.144 0.000 0.898 261 Q HN 0.346 nan 8.270 nan 0.000 0.430 262 A N 0.235 122.749 122.820 -0.509 0.000 1.902 262 A HA -0.072 3.782 4.320 -0.777 0.000 0.217 262 A C 2.279 179.500 177.584 -0.605 0.000 1.181 262 A CA 1.948 53.331 52.037 -1.090 0.000 0.623 262 A CB -1.173 16.740 19.000 -1.812 0.000 0.818 262 A HN 0.509 nan 8.150 nan 0.000 0.443 263 A N -0.526 121.986 122.820 -0.512 0.000 1.898 263 A HA 0.006 3.860 4.320 -0.777 0.000 0.216 263 A C 2.142 179.776 177.584 0.084 0.000 1.181 263 A CA 1.701 53.726 52.037 -0.019 0.000 0.620 263 A CB -0.624 18.416 19.000 0.066 0.000 0.819 263 A HN 0.741 nan 8.150 nan 0.000 0.442 264 L N 0.248 121.486 121.223 0.025 0.000 1.994 264 L HA -0.171 3.703 4.340 -0.777 0.000 0.208 264 L C 1.667 178.598 176.870 0.103 0.000 1.071 264 L CA 2.694 57.578 54.840 0.073 0.000 0.745 264 L CB -0.786 41.306 42.059 0.056 0.000 0.892 264 L HN 0.330 nan 8.230 nan 0.000 0.431 265 D N -1.324 119.132 120.400 0.093 0.000 2.123 265 D HA -0.270 3.904 4.640 -0.777 0.000 0.196 265 D C 2.062 178.441 176.300 0.132 0.000 0.992 265 D CA 1.849 55.920 54.000 0.119 0.000 0.833 265 D CB -0.430 40.471 40.800 0.169 0.000 0.954 265 D HN 0.504 nan 8.370 nan 0.000 0.455 266 Y N 1.204 121.552 120.300 0.080 0.000 2.181 266 Y HA -0.181 3.910 4.550 -0.766 0.000 0.288 266 Y C 2.341 178.329 175.900 0.145 0.000 1.146 266 Y CA 1.710 59.888 58.100 0.130 0.000 1.164 266 Y CB -0.201 38.364 38.460 0.176 0.000 0.982 266 Y HN -0.040 nan 8.280 nan 0.000 0.515 267 A N -0.088 122.909 122.820 0.295 0.000 1.902 267 A HA -0.164 3.690 4.320 -0.777 0.000 0.217 267 A C 2.258 179.953 177.584 0.185 0.000 1.181 267 A CA 1.675 53.856 52.037 0.240 0.000 0.623 267 A CB -1.079 18.032 19.000 0.186 0.000 0.818 267 A HN 0.538 nan 8.150 nan 0.000 0.443 268 L N -0.754 120.545 121.223 0.127 0.000 1.970 268 L HA -0.239 3.635 4.340 -0.777 0.000 0.212 268 L C 3.169 180.071 176.870 0.053 0.000 1.071 268 L CA 1.343 56.235 54.840 0.086 0.000 0.751 268 L CB -0.569 41.531 42.059 0.069 0.000 0.889 268 L HN 0.442 nan 8.230 nan 0.000 0.432 269 A N -1.014 121.815 122.820 0.015 0.000 1.892 269 A HA -0.321 3.533 4.320 -0.777 0.000 0.218 269 A C 2.174 179.733 177.584 -0.041 0.000 1.188 269 A CA 1.993 54.005 52.037 -0.041 0.000 0.631 269 A CB -1.071 17.861 19.000 -0.114 0.000 0.822 269 A HN 0.506 nan 8.150 nan 0.000 0.447 270 Y N 0.457 120.671 120.300 -0.143 0.000 2.114 270 Y HA -0.104 3.986 4.550 -0.766 0.000 0.284 270 Y C 2.688 178.566 175.900 -0.037 0.000 1.143 270 Y CA 1.527 59.566 58.100 -0.101 0.000 1.135 270 Y CB -0.574 37.863 38.460 -0.038 0.000 0.980 270 Y HN 0.303 nan 8.280 nan 0.000 0.499 271 A N -0.163 122.728 122.820 0.118 0.000 2.076 271 A HA -0.222 3.632 4.320 -0.777 0.000 0.220 271 A C 2.201 179.761 177.584 -0.040 0.000 1.160 271 A CA 1.857 53.929 52.037 0.059 0.000 0.653 271 A CB -0.703 18.376 19.000 0.131 0.000 0.801 271 A HN 0.537 nan 8.150 nan 0.000 0.455 272 K N -1.206 119.160 120.400 -0.057 0.000 2.305 272 K HA 0.029 3.883 4.320 -0.777 0.000 0.199 272 K C 1.639 178.173 176.600 -0.111 0.000 1.047 272 K CA 0.878 57.126 56.287 -0.065 0.000 0.976 272 K CB -0.135 32.340 32.500 -0.042 0.000 0.765 272 K HN 0.407 nan 8.250 nan 0.000 0.474 273 G N 0.035 108.723 108.800 -0.187 0.000 2.748 273 G HA2 -0.019 3.475 3.960 -0.777 0.000 0.204 273 G HA3 -0.019 3.475 3.960 -0.777 0.000 0.204 273 G C 0.185 174.917 174.900 -0.280 0.000 1.095 273 G CA -0.362 44.612 45.100 -0.209 0.000 0.775 273 G HN 0.056 nan 8.290 nan 0.000 0.531 274 R N 1.763 121.996 120.500 -0.445 0.000 2.340 274 R HA 0.430 4.304 4.340 -0.777 0.000 0.300 274 R C -0.555 175.630 176.300 -0.191 0.000 1.069 274 R CA -0.027 55.810 56.100 -0.437 0.000 0.984 274 R CB 0.199 30.030 30.300 -0.782 0.000 1.003 274 R HN 0.170 nan 8.270 nan 0.000 0.459 275 E N 2.122 122.251 120.200 -0.120 0.000 2.227 275 E HA 0.697 4.581 4.350 -0.777 0.000 0.268 275 E C -1.306 175.288 176.600 -0.010 0.000 0.907 275 E CA -1.187 55.191 56.400 -0.037 0.000 0.786 275 E CB 2.109 31.783 29.700 -0.044 0.000 1.191 275 E HN 0.687 nan 8.360 nan 0.000 0.411 276 A N 1.746 124.617 122.820 0.086 0.000 2.488 276 A HA 0.558 4.412 4.320 -0.777 0.000 0.298 276 A C -0.774 176.926 177.584 0.193 0.000 1.044 276 A CA -0.721 51.302 52.037 -0.022 0.000 0.693 276 A CB 0.207 19.220 19.000 0.022 0.000 1.272 276 A HN 0.729 nan 8.150 nan 0.000 0.402 277 F N 0.647 120.674 119.950 0.128 0.000 3.093 277 F HA -0.195 3.865 4.527 -0.779 0.000 0.287 277 F C 1.536 177.410 175.800 0.123 0.000 0.882 277 F CA 1.638 59.721 58.000 0.139 0.000 1.063 277 F CB -1.327 37.804 39.000 0.218 0.000 1.097 277 F HN 2.159 nan 8.300 nan 0.000 0.604 278 G N 0.590 109.478 108.800 0.146 0.000 2.212 278 G HA2 -0.176 3.317 3.960 -0.777 0.000 0.255 278 G HA3 -0.176 3.317 3.960 -0.777 0.000 0.255 278 G C -0.015 174.916 174.900 0.052 0.000 1.062 278 G CA 0.263 45.413 45.100 0.083 0.000 0.815 278 G HN 1.160 nan 8.290 nan 0.000 0.497 279 R N -2.442 118.087 120.500 0.048 0.000 2.753 279 R HA 0.524 4.398 4.340 -0.777 0.000 0.272 279 R C -3.543 172.732 176.300 -0.042 0.000 1.034 279 R CA -1.819 54.256 56.100 -0.042 0.000 0.869 279 R CB 0.262 30.470 30.300 -0.152 0.000 1.264 279 R HN 0.000 nan 8.270 nan 0.000 0.481 280 P HA 0.072 nan 4.420 nan 0.000 0.268 280 P C 0.940 178.215 177.300 -0.041 0.000 1.204 280 P CA -0.288 62.773 63.100 -0.064 0.000 0.768 280 P CB 0.424 32.078 31.700 -0.077 0.000 0.842 281 I N 0.631 121.248 120.570 0.078 0.000 2.850 281 I HA -0.162 3.542 4.170 -0.777 0.000 0.266 281 I C 1.537 177.764 176.117 0.182 0.000 1.257 281 I CA 1.307 62.772 61.300 0.275 0.000 1.465 281 I CB -0.726 37.441 38.000 0.278 0.000 1.091 281 I HN 0.170 nan 8.210 nan 0.000 0.467 282 A N 1.487 124.340 122.820 0.055 0.000 2.121 282 A HA -0.102 3.752 4.320 -0.777 0.000 0.218 282 A C 2.037 179.616 177.584 -0.008 0.000 1.154 282 A CA 1.141 53.205 52.037 0.046 0.000 0.679 282 A CB -0.564 18.449 19.000 0.021 0.000 0.795 282 A HN 0.645 nan 8.150 nan 0.000 0.458 283 E N -1.311 118.804 120.200 -0.142 0.000 2.476 283 E HA 0.084 3.968 4.350 -0.777 0.000 0.191 283 E C -1.008 175.393 176.600 -0.331 0.000 1.064 283 E CA -0.229 56.022 56.400 -0.249 0.000 0.866 283 E CB 0.047 29.538 29.700 -0.347 0.000 0.952 283 E HN 0.586 nan 8.360 nan 0.000 0.492 284 F N 1.100 121.047 119.950 -0.006 0.000 2.427 284 F HA 0.189 4.250 4.527 -0.777 0.000 0.346 284 F C 1.348 177.088 175.800 -0.100 0.000 1.120 284 F CA -1.002 56.966 58.000 -0.052 0.000 1.033 284 F CB 1.239 40.221 39.000 -0.030 0.000 1.126 284 F HN -0.137 nan 8.300 nan 0.000 0.462 285 E N 2.120 122.293 120.200 -0.045 0.000 2.209 285 E HA -0.171 3.713 4.350 -0.777 0.000 0.196 285 E C 2.155 178.522 176.600 -0.388 0.000 0.993 285 E CA 1.071 57.215 56.400 -0.427 0.000 0.819 285 E CB -0.029 29.078 29.700 -0.988 0.000 0.745 285 E HN 0.982 nan 8.360 nan 0.000 0.477 286 G N 0.912 109.607 108.800 -0.175 0.000 2.448 286 G HA2 -0.196 3.298 3.960 -0.777 0.000 0.219 286 G HA3 -0.196 3.298 3.960 -0.777 0.000 0.219 286 G C 1.627 176.540 174.900 0.021 0.000 1.127 286 G CA 0.684 45.728 45.100 -0.093 0.000 0.766 286 G HN 0.144 nan 8.290 nan 0.000 0.552 287 V N 0.929 120.893 119.914 0.083 0.000 2.627 287 V HA -0.058 3.596 4.120 -0.777 0.000 0.239 287 V C 3.071 179.260 176.094 0.158 0.000 1.077 287 V CA 1.702 64.081 62.300 0.133 0.000 1.103 287 V CB 0.026 31.953 31.823 0.174 0.000 0.802 287 V HN 0.528 nan 8.190 nan 0.000 0.482 288 S N 0.460 116.262 115.700 0.170 0.000 2.382 288 S HA -0.192 3.812 4.470 -0.777 0.000 0.228 288 S C 1.965 176.769 174.600 0.340 0.000 1.027 288 S CA 1.469 59.801 58.200 0.221 0.000 0.991 288 S CB -0.684 62.645 63.200 0.214 0.000 0.823 288 S HN 0.360 nan 8.310 nan 0.000 0.469 289 F N 2.502 122.487 119.950 0.057 0.000 2.171 289 F HA 0.142 4.202 4.527 -0.779 0.000 0.300 289 F C 2.422 178.251 175.800 0.047 0.000 1.090 289 F CA 0.439 58.467 58.000 0.047 0.000 1.293 289 F CB -0.681 38.345 39.000 0.043 0.000 1.013 289 F HN 0.237 nan 8.300 nan 0.000 0.486 290 K N 0.117 120.670 120.400 0.255 0.000 2.026 290 K HA -0.147 3.706 4.320 -0.777 0.000 0.208 290 K C 2.123 178.800 176.600 0.128 0.000 1.048 290 K CA 1.324 57.707 56.287 0.159 0.000 0.929 290 K CB -0.563 32.015 32.500 0.130 0.000 0.713 290 K HN 0.251 nan 8.250 nan 0.000 0.439 291 L N 0.600 121.904 121.223 0.135 0.000 2.042 291 L HA -0.214 3.660 4.340 -0.777 0.000 0.210 291 L C 2.643 179.564 176.870 0.085 0.000 1.076 291 L CA 1.273 56.177 54.840 0.108 0.000 0.749 291 L CB -0.664 41.461 42.059 0.111 0.000 0.893 291 L HN 0.224 nan 8.230 nan 0.000 0.432 292 A N -0.075 122.795 122.820 0.084 0.000 1.898 292 A HA -0.208 3.646 4.320 -0.777 0.000 0.216 292 A C 2.171 179.769 177.584 0.024 0.000 1.181 292 A CA 1.633 53.691 52.037 0.035 0.000 0.620 292 A CB -0.417 18.575 19.000 -0.013 0.000 0.819 292 A HN 0.443 nan 8.150 nan 0.000 0.442 293 E N -0.223 120.000 120.200 0.037 0.000 2.051 293 E HA -0.094 3.790 4.350 -0.777 0.000 0.192 293 E C 2.335 178.966 176.600 0.052 0.000 0.991 293 E CA 1.017 57.440 56.400 0.038 0.000 0.799 293 E CB -0.293 29.438 29.700 0.052 0.000 0.748 293 E HN 0.609 nan 8.360 nan 0.000 0.449 294 A N 1.451 124.306 122.820 0.058 0.000 1.877 294 A HA -0.116 3.738 4.320 -0.777 0.000 0.216 294 A C 2.400 180.018 177.584 0.057 0.000 1.186 294 A CA 1.704 53.773 52.037 0.054 0.000 0.620 294 A CB -0.753 18.282 19.000 0.059 0.000 0.822 294 A HN 0.296 nan 8.150 nan 0.000 0.443 295 A N -0.857 121.995 122.820 0.054 0.000 1.883 295 A HA -0.116 3.738 4.320 -0.777 0.000 0.217 295 A C 2.323 179.937 177.584 0.049 0.000 1.186 295 A CA 2.431 54.498 52.037 0.049 0.000 0.624 295 A CB -1.385 17.639 19.000 0.041 0.000 0.822 295 A HN 0.446 nan 8.150 nan 0.000 0.444 296 T N 0.060 114.641 114.554 0.045 0.000 2.708 296 T HA -0.158 3.726 4.350 -0.777 0.000 0.266 296 T C 1.781 176.537 174.700 0.094 0.000 1.037 296 T CA 1.737 63.864 62.100 0.045 0.000 1.146 296 T CB -0.310 68.576 68.868 0.030 0.000 0.865 296 T HN 0.665 nan 8.240 nan 0.000 0.435 297 E N 0.629 120.911 120.200 0.136 0.000 2.072 297 E HA -0.011 3.873 4.350 -0.777 0.000 0.191 297 E C 2.226 178.993 176.600 0.279 0.000 0.985 297 E CA 0.761 57.321 56.400 0.266 0.000 0.801 297 E CB -0.236 29.556 29.700 0.154 0.000 0.750 297 E HN 0.391 nan 8.360 nan 0.000 0.452 298 L N 0.748 122.058 121.223 0.144 0.000 2.156 298 L HA -0.144 3.730 4.340 -0.777 0.000 0.208 298 L C 2.522 179.465 176.870 0.121 0.000 1.095 298 L CA 0.712 55.632 54.840 0.132 0.000 0.770 298 L CB -0.104 42.002 42.059 0.078 0.000 0.914 298 L HN 0.070 nan 8.230 nan 0.000 0.439 299 E N 0.831 121.080 120.200 0.081 0.000 2.058 299 E HA -0.234 3.650 4.350 -0.777 0.000 0.194 299 E C 2.158 178.775 176.600 0.028 0.000 0.997 299 E CA 1.741 58.162 56.400 0.034 0.000 0.801 299 E CB -0.185 29.520 29.700 0.008 0.000 0.746 299 E HN 0.346 nan 8.360 nan 0.000 0.450 300 A N 0.866 123.718 122.820 0.053 0.000 1.908 300 A HA -0.128 3.726 4.320 -0.777 0.000 0.218 300 A C 2.476 180.070 177.584 0.016 0.000 1.181 300 A CA 2.511 54.538 52.037 -0.017 0.000 0.627 300 A CB -1.158 17.799 19.000 -0.071 0.000 0.818 300 A HN 0.414 nan 8.150 nan 0.000 0.445 301 A N -0.595 122.366 122.820 0.234 0.000 1.933 301 A HA -0.164 3.690 4.320 -0.777 0.000 0.218 301 A C 2.248 179.936 177.584 0.174 0.000 1.175 301 A CA 1.745 53.982 52.037 0.333 0.000 0.628 301 A CB -0.469 18.765 19.000 0.390 0.000 0.814 301 A HN 0.570 nan 8.150 nan 0.000 0.444 302 R N -0.363 120.169 120.500 0.054 0.000 2.075 302 R HA -0.009 3.865 4.340 -0.777 0.000 0.232 302 R C 1.906 177.953 176.300 -0.421 0.000 1.126 302 R CA 1.288 57.253 56.100 -0.224 0.000 0.963 302 R CB -0.351 29.857 30.300 -0.154 0.000 0.858 302 R HN 0.529 nan 8.270 nan 0.000 0.435 303 L N 0.569 121.698 121.223 -0.157 0.000 2.083 303 L HA -0.180 3.694 4.340 -0.777 0.000 0.209 303 L C 2.352 179.239 176.870 0.028 0.000 1.083 303 L CA 1.013 55.829 54.840 -0.041 0.000 0.752 303 L CB -0.352 41.737 42.059 0.049 0.000 0.899 303 L HN 0.269 nan 8.230 nan 0.000 0.433 304 L N -0.869 120.357 121.223 0.006 0.000 2.056 304 L HA -0.246 3.628 4.340 -0.777 0.000 0.207 304 L C 2.737 179.688 176.870 0.136 0.000 1.078 304 L CA 1.356 56.236 54.840 0.066 0.000 0.749 304 L CB -0.677 41.416 42.059 0.056 0.000 0.901 304 L HN 0.345 nan 8.230 nan 0.000 0.433 305 Y N -0.880 119.468 120.300 0.081 0.000 2.373 305 Y HA -0.052 4.032 4.550 -0.777 0.000 0.293 305 Y C 2.046 177.977 175.900 0.052 0.000 1.129 305 Y CA 0.665 58.799 58.100 0.056 0.000 1.226 305 Y CB -0.880 37.595 38.460 0.024 0.000 1.000 305 Y HN -0.017 nan 8.280 nan 0.000 0.549 306 L N 0.705 121.796 121.223 -0.220 0.000 2.056 306 L HA -0.146 3.728 4.340 -0.777 0.000 0.207 306 L C 2.785 179.800 176.870 0.242 0.000 1.078 306 L CA 1.891 56.631 54.840 -0.168 0.000 0.749 306 L CB -0.506 41.216 42.059 -0.562 0.000 0.901 306 L HN 0.231 nan 8.230 nan 0.000 0.433 307 K N 0.508 121.150 120.400 0.402 0.000 2.002 307 K HA -0.208 3.646 4.320 -0.777 0.000 0.209 307 K C 2.149 178.878 176.600 0.215 0.000 1.048 307 K CA 1.475 57.995 56.287 0.387 0.000 0.930 307 K CB -0.142 32.482 32.500 0.206 0.000 0.714 307 K HN 0.234 nan 8.250 nan 0.000 0.438 308 A N 1.195 124.122 122.820 0.178 0.000 1.883 308 A HA -0.158 3.696 4.320 -0.777 0.000 0.217 308 A C 2.387 179.977 177.584 0.010 0.000 1.186 308 A CA 2.160 54.281 52.037 0.140 0.000 0.624 308 A CB -1.009 18.100 19.000 0.183 0.000 0.822 308 A HN 0.541 nan 8.150 nan 0.000 0.444 309 A N -0.628 122.223 122.820 0.051 0.000 1.933 309 A HA -0.166 3.688 4.320 -0.777 0.000 0.218 309 A C 1.964 179.532 177.584 -0.028 0.000 1.175 309 A CA 2.208 54.229 52.037 -0.026 0.000 0.628 309 A CB -0.495 18.549 19.000 0.074 0.000 0.814 309 A HN 0.546 nan 8.150 nan 0.000 0.444 310 E N 0.173 120.433 120.200 0.100 0.000 2.051 310 E HA -0.139 3.744 4.350 -0.777 0.000 0.192 310 E C 1.862 178.490 176.600 0.047 0.000 0.991 310 E CA 1.340 57.828 56.400 0.147 0.000 0.799 310 E CB -0.399 29.511 29.700 0.350 0.000 0.748 310 E HN 0.601 nan 8.360 nan 0.000 0.449 311 L N 0.307 121.546 121.223 0.028 0.000 2.046 311 L HA -0.189 3.685 4.340 -0.777 0.000 0.208 311 L C 2.654 179.493 176.870 -0.051 0.000 1.077 311 L CA 1.657 56.512 54.840 0.026 0.000 0.747 311 L CB -0.461 41.662 42.059 0.106 0.000 0.896 311 L HN 0.139 nan 8.230 nan 0.000 0.432 312 K N 0.068 120.282 120.400 -0.309 0.000 2.057 312 K HA -0.196 3.658 4.320 -0.777 0.000 0.207 312 K C 1.638 178.122 176.600 -0.193 0.000 1.049 312 K CA 1.690 57.668 56.287 -0.516 0.000 0.931 312 K CB -0.003 31.843 32.500 -1.089 0.000 0.714 312 K HN 0.239 nan 8.250 nan 0.000 0.440 313 D N 0.235 120.557 120.400 -0.130 0.000 2.263 313 D HA -0.118 4.056 4.640 -0.777 0.000 0.208 313 D C 1.221 177.511 176.300 -0.016 0.000 0.971 313 D CA 1.081 55.049 54.000 -0.054 0.000 0.867 313 D CB 0.081 40.866 40.800 -0.024 0.000 0.929 313 D HN 0.356 nan 8.370 nan 0.000 0.492 314 A N -0.127 122.690 122.820 -0.005 0.000 2.307 314 A HA 0.429 4.283 4.320 -0.777 0.000 0.218 314 A C 1.624 179.226 177.584 0.029 0.000 1.228 314 A CA 0.671 52.718 52.037 0.016 0.000 0.857 314 A CB -0.260 18.754 19.000 0.022 0.000 0.897 314 A HN 0.173 nan 8.150 nan 0.000 0.495 315 G N -0.062 108.758 108.800 0.033 0.000 2.249 315 G HA2 -0.282 3.212 3.960 -0.777 0.000 0.273 315 G HA3 -0.282 3.212 3.960 -0.777 0.000 0.273 315 G C 0.211 175.167 174.900 0.094 0.000 1.036 315 G CA 0.644 45.782 45.100 0.064 0.000 0.824 315 G HN 0.690 nan 8.290 nan 0.000 0.504 316 R N -0.400 120.170 120.500 0.116 0.000 2.787 316 R HA 0.516 4.390 4.340 -0.777 0.000 0.271 316 R C -2.593 173.846 176.300 0.233 0.000 0.993 316 R CA -2.211 53.968 56.100 0.131 0.000 0.993 316 R CB 1.016 31.370 30.300 0.090 0.000 1.155 316 R HN 0.012 nan 8.270 nan 0.000 0.486 317 P HA -0.055 nan 4.420 nan 0.000 0.265 317 P C -0.617 176.794 177.300 0.186 0.000 1.193 317 P CA 0.461 63.621 63.100 0.098 0.000 0.765 317 P CB 0.171 31.887 31.700 0.027 0.000 0.823 318 F N -1.077 118.870 119.950 -0.006 0.000 2.936 318 F HA 0.294 4.354 4.527 -0.778 0.000 0.334 318 F C 1.177 176.970 175.800 -0.011 0.000 1.170 318 F CA -0.455 57.545 58.000 -0.001 0.000 1.104 318 F CB -0.958 38.049 39.000 0.012 0.000 1.216 318 F HN 0.031 nan 8.300 nan 0.000 0.518 319 T N 1.874 116.194 114.554 -0.391 0.000 2.652 319 T HA -0.227 3.657 4.350 -0.777 0.000 0.267 319 T C 1.954 176.587 174.700 -0.112 0.000 1.039 319 T CA 2.410 64.318 62.100 -0.321 0.000 1.153 319 T CB -0.300 68.394 68.868 -0.290 0.000 0.863 319 T HN 0.430 nan 8.240 nan 0.000 0.428 320 L N 1.432 122.620 121.223 -0.059 0.000 2.017 320 L HA -0.062 3.812 4.340 -0.777 0.000 0.208 320 L C 2.194 179.082 176.870 0.030 0.000 1.073 320 L CA 1.921 56.754 54.840 -0.012 0.000 0.745 320 L CB -0.714 41.341 42.059 -0.006 0.000 0.894 320 L HN 0.111 nan 8.230 nan 0.000 0.432 321 E N 0.188 120.428 120.200 0.067 0.000 2.110 321 E HA -0.103 3.781 4.350 -0.777 0.000 0.193 321 E C 2.202 178.886 176.600 0.140 0.000 0.988 321 E CA 1.375 57.839 56.400 0.106 0.000 0.804 321 E CB -0.525 29.258 29.700 0.138 0.000 0.745 321 E HN 0.654 nan 8.360 nan 0.000 0.458 322 A N 0.771 123.697 122.820 0.177 0.000 1.968 322 A HA 0.044 3.898 4.320 -0.777 0.000 0.217 322 A C 2.307 179.953 177.584 0.103 0.000 1.169 322 A CA 1.468 53.617 52.037 0.187 0.000 0.638 322 A CB -0.593 18.567 19.000 0.268 0.000 0.812 322 A HN 0.278 nan 8.150 nan 0.000 0.446 323 A N -0.501 122.356 122.820 0.061 0.000 1.873 323 A HA -0.178 3.676 4.320 -0.777 0.000 0.215 323 A C 2.123 179.747 177.584 0.067 0.000 1.186 323 A CA 1.561 53.622 52.037 0.041 0.000 0.616 323 A CB -0.550 18.458 19.000 0.013 0.000 0.823 323 A HN 0.617 nan 8.150 nan 0.000 0.442 324 Q N -0.587 119.258 119.800 0.075 0.000 2.084 324 Q HA -0.101 3.773 4.340 -0.777 0.000 0.202 324 Q C 2.439 178.522 176.000 0.138 0.000 0.978 324 Q CA 1.360 57.219 55.803 0.093 0.000 0.844 324 Q CB -0.387 28.388 28.738 0.061 0.000 0.898 324 Q HN 0.678 nan 8.270 nan 0.000 0.426 325 A N 1.459 124.361 122.820 0.137 0.000 1.877 325 A HA -0.201 3.653 4.320 -0.777 0.000 0.216 325 A C 2.105 179.794 177.584 0.175 0.000 1.186 325 A CA 1.374 53.519 52.037 0.181 0.000 0.620 325 A CB -0.381 18.739 19.000 0.200 0.000 0.822 325 A HN 0.052 nan 8.150 nan 0.000 0.443 326 K N -0.325 120.145 120.400 0.116 0.000 2.025 326 K HA -0.124 3.730 4.320 -0.777 0.000 0.207 326 K C 1.973 178.612 176.600 0.065 0.000 1.049 326 K CA 1.666 57.993 56.287 0.067 0.000 0.933 326 K CB -0.621 31.900 32.500 0.035 0.000 0.714 326 K HN 0.391 nan 8.250 nan 0.000 0.438 327 L N 0.584 121.857 121.223 0.084 0.000 1.989 327 L HA -0.141 3.733 4.340 -0.777 0.000 0.211 327 L C 2.289 179.211 176.870 0.087 0.000 1.071 327 L CA 1.777 56.661 54.840 0.073 0.000 0.749 327 L CB -0.890 41.222 42.059 0.090 0.000 0.890 327 L HN 0.168 nan 8.230 nan 0.000 0.431 328 F N 0.019 119.983 119.950 0.024 0.000 2.113 328 F HA -0.076 3.990 4.527 -0.768 0.000 0.297 328 F C 2.334 178.150 175.800 0.027 0.000 1.103 328 F CA 1.554 59.570 58.000 0.027 0.000 1.248 328 F CB -0.498 38.522 39.000 0.034 0.000 0.999 328 F HN 0.188 nan 8.300 nan 0.000 0.475 329 A N -0.008 122.913 122.820 0.168 0.000 1.883 329 A HA -0.233 3.621 4.320 -0.777 0.000 0.217 329 A C 2.355 179.912 177.584 -0.045 0.000 1.186 329 A CA 2.428 54.516 52.037 0.084 0.000 0.624 329 A CB -1.463 17.617 19.000 0.133 0.000 0.822 329 A HN 0.514 nan 8.150 nan 0.000 0.444 330 S N -0.199 115.471 115.700 -0.050 0.000 2.356 330 S HA -0.195 3.809 4.470 -0.777 0.000 0.223 330 S C 1.720 176.244 174.600 -0.125 0.000 1.032 330 S CA 1.427 59.573 58.200 -0.089 0.000 1.005 330 S CB -0.507 62.648 63.200 -0.076 0.000 0.867 330 S HN 0.543 nan 8.310 nan 0.000 0.449 331 E N 2.162 122.274 120.200 -0.148 0.000 2.051 331 E HA -0.024 3.860 4.350 -0.777 0.000 0.192 331 E C 2.517 178.988 176.600 -0.216 0.000 0.991 331 E CA 1.346 57.643 56.400 -0.171 0.000 0.799 331 E CB -0.842 28.746 29.700 -0.187 0.000 0.748 331 E HN 0.666 nan 8.360 nan 0.000 0.449 332 A N 1.456 124.067 122.820 -0.348 0.000 1.898 332 A HA -0.045 3.809 4.320 -0.777 0.000 0.216 332 A C 2.423 179.926 177.584 -0.135 0.000 1.181 332 A CA 1.997 53.847 52.037 -0.311 0.000 0.620 332 A CB -0.560 18.160 19.000 -0.466 0.000 0.819 332 A HN 0.263 nan 8.150 nan 0.000 0.442 333 A N -0.468 122.286 122.820 -0.110 0.000 1.877 333 A HA -0.021 3.833 4.320 -0.777 0.000 0.216 333 A C 2.230 179.783 177.584 -0.052 0.000 1.186 333 A CA 1.848 53.844 52.037 -0.068 0.000 0.620 333 A CB -1.010 17.943 19.000 -0.078 0.000 0.822 333 A HN 0.399 nan 8.150 nan 0.000 0.443 334 V N 0.321 120.186 119.914 -0.081 0.000 2.343 334 V HA -0.281 3.373 4.120 -0.777 0.000 0.247 334 V C 2.552 178.711 176.094 0.109 0.000 1.051 334 V CA 2.417 64.680 62.300 -0.061 0.000 1.036 334 V CB -0.673 31.068 31.823 -0.136 0.000 0.654 334 V HN 0.679 nan 8.190 nan 0.000 0.451 335 K N 0.200 120.632 120.400 0.053 0.000 2.057 335 K HA -0.180 3.673 4.320 -0.777 0.000 0.207 335 K C 2.221 178.873 176.600 0.087 0.000 1.049 335 K CA 1.567 57.900 56.287 0.076 0.000 0.931 335 K CB -0.331 32.175 32.500 0.011 0.000 0.714 335 K HN 0.423 nan 8.250 nan 0.000 0.440 336 A N 0.791 123.644 122.820 0.055 0.000 1.902 336 A HA -0.184 3.670 4.320 -0.777 0.000 0.217 336 A C 2.421 180.066 177.584 0.102 0.000 1.181 336 A CA 1.720 53.795 52.037 0.063 0.000 0.623 336 A CB -1.002 18.018 19.000 0.033 0.000 0.818 336 A HN 0.570 nan 8.150 nan 0.000 0.443 337 C N -0.916 118.466 119.300 0.136 0.000 2.425 337 C HA -0.070 3.924 4.460 -0.777 0.000 0.277 337 C C 2.431 177.574 174.990 0.254 0.000 1.280 337 C CA 1.242 60.389 59.018 0.216 0.000 1.744 337 C CB -1.194 26.704 27.740 0.263 0.000 1.989 337 C HN 0.760 nan 8.230 nan 0.000 0.491 338 D N 0.507 121.075 120.400 0.280 0.000 2.117 338 D HA -0.110 4.064 4.640 -0.777 0.000 0.198 338 D C 2.233 178.567 176.300 0.057 0.000 0.982 338 D CA 1.101 55.178 54.000 0.128 0.000 0.828 338 D CB -0.112 40.766 40.800 0.129 0.000 0.967 338 D HN 0.379 nan 8.370 nan 0.000 0.464 339 E N 0.173 120.422 120.200 0.081 0.000 2.110 339 E HA -0.130 3.754 4.350 -0.777 0.000 0.193 339 E C 2.107 178.749 176.600 0.069 0.000 0.988 339 E CA 0.950 57.390 56.400 0.067 0.000 0.804 339 E CB -0.395 29.351 29.700 0.077 0.000 0.745 339 E HN 0.371 nan 8.360 nan 0.000 0.458 340 A N 1.268 124.141 122.820 0.089 0.000 1.933 340 A HA -0.139 3.715 4.320 -0.777 0.000 0.218 340 A C 2.298 179.907 177.584 0.042 0.000 1.175 340 A CA 0.943 53.036 52.037 0.094 0.000 0.628 340 A CB -0.577 18.506 19.000 0.139 0.000 0.814 340 A HN 0.154 nan 8.150 nan 0.000 0.444 341 I N -1.095 119.489 120.570 0.023 0.000 2.202 341 I HA -0.263 3.441 4.170 -0.777 0.000 0.242 341 I C 2.774 178.875 176.117 -0.027 0.000 1.091 341 I CA 1.734 63.019 61.300 -0.025 0.000 1.368 341 I CB -0.293 37.674 38.000 -0.055 0.000 1.058 341 I HN 0.373 nan 8.210 nan 0.000 0.410 342 Q N 1.405 121.198 119.800 -0.011 0.000 2.061 342 Q HA -0.180 3.694 4.340 -0.777 0.000 0.204 342 Q C 2.032 178.043 176.000 0.018 0.000 0.984 342 Q CA 1.897 57.696 55.803 -0.006 0.000 0.846 342 Q CB -0.345 28.395 28.738 0.003 0.000 0.902 342 Q HN 0.495 nan 8.270 nan 0.000 0.421 343 I N -0.352 120.244 120.570 0.043 0.000 2.454 343 I HA -0.238 3.466 4.170 -0.777 0.000 0.254 343 I C 1.244 177.403 176.117 0.070 0.000 1.156 343 I CA 0.531 61.884 61.300 0.089 0.000 1.433 343 I CB -0.055 38.021 38.000 0.127 0.000 1.082 343 I HN 0.198 nan 8.210 nan 0.000 0.432 344 L N 0.145 121.318 121.223 -0.082 0.000 2.558 344 L HA 0.213 4.087 4.340 -0.777 0.000 0.225 344 L C 1.472 178.312 176.870 -0.050 0.000 1.128 344 L CA 0.869 55.518 54.840 -0.317 0.000 0.868 344 L CB -0.826 40.944 42.059 -0.481 0.000 1.006 344 L HN 0.371 nan 8.230 nan 0.000 0.454 345 G N -0.228 108.574 108.800 0.004 0.000 2.583 345 G HA2 -0.375 3.119 3.960 -0.777 0.000 0.292 345 G HA3 -0.375 3.119 3.960 -0.777 0.000 0.292 345 G C 1.097 175.965 174.900 -0.054 0.000 1.203 345 G CA 0.135 45.242 45.100 0.011 0.000 0.987 345 G HN 0.395 nan 8.290 nan 0.000 0.554 346 G N -1.209 107.514 108.800 -0.130 0.000 2.450 346 G HA2 -0.042 3.452 3.960 -0.777 0.000 0.220 346 G HA3 -0.042 3.452 3.960 -0.777 0.000 0.220 346 G C 1.533 176.245 174.900 -0.314 0.000 1.130 346 G CA 1.896 46.838 45.100 -0.262 0.000 0.760 346 G HN 0.714 nan 8.290 nan 0.000 0.557 347 Y N 0.813 121.030 120.300 -0.138 0.000 2.421 347 Y HA 0.085 4.168 4.550 -0.778 0.000 0.292 347 Y C 2.852 178.599 175.900 -0.255 0.000 1.136 347 Y CA 0.432 58.356 58.100 -0.293 0.000 1.255 347 Y CB -0.308 37.720 38.460 -0.720 0.000 0.991 347 Y HN 0.201 nan 8.280 nan 0.000 0.552 348 G N -1.744 107.003 108.800 -0.087 0.000 2.572 348 G HA2 -0.260 3.234 3.960 -0.777 0.000 0.216 348 G HA3 -0.260 3.234 3.960 -0.777 0.000 0.216 348 G C 1.171 176.069 174.900 -0.003 0.000 1.133 348 G CA 0.263 45.318 45.100 -0.074 0.000 0.791 348 G HN 0.440 nan 8.290 nan 0.000 0.538 349 Y N 1.064 121.292 120.300 -0.120 0.000 2.511 349 Y HA 0.297 4.377 4.550 -0.782 0.000 0.279 349 Y C 1.052 176.910 175.900 -0.070 0.000 1.157 349 Y CA -0.687 57.347 58.100 -0.110 0.000 1.300 349 Y CB 0.358 38.742 38.460 -0.126 0.000 1.052 349 Y HN 0.081 nan 8.280 nan 0.000 0.529 350 V N -1.972 117.948 119.914 0.011 0.000 2.547 350 V HA 0.347 4.001 4.120 -0.777 0.000 0.299 350 V C 0.662 176.763 176.094 0.012 0.000 1.040 350 V CA -1.027 61.282 62.300 0.016 0.000 0.913 350 V CB 1.973 33.873 31.823 0.129 0.000 0.992 350 V HN 0.059 nan 8.190 nan 0.000 0.449 351 K N 1.007 121.371 120.400 -0.059 0.000 2.555 351 K HA 0.009 3.863 4.320 -0.777 0.000 0.193 351 K C 0.728 177.259 176.600 -0.114 0.000 1.032 351 K CA 0.773 57.004 56.287 -0.094 0.000 1.004 351 K CB 0.017 32.453 32.500 -0.106 0.000 0.804 351 K HN 0.751 nan 8.250 nan 0.000 0.496 352 D N -0.060 120.272 120.400 -0.113 0.000 2.312 352 D HA -0.067 4.107 4.640 -0.777 0.000 0.211 352 D C -0.053 175.918 176.300 -0.548 0.000 0.964 352 D CA 1.015 54.831 54.000 -0.307 0.000 0.877 352 D CB 0.147 40.732 40.800 -0.358 0.000 0.924 352 D HN 0.139 nan 8.370 nan 0.000 0.515 353 Y N -0.125 120.107 120.300 -0.114 0.000 2.446 353 Y HA 0.249 4.328 4.550 -0.784 0.000 0.338 353 Y C -1.395 174.273 175.900 -0.388 0.000 1.055 353 Y CA -2.205 55.759 58.100 -0.226 0.000 1.101 353 Y CB 1.550 39.901 38.460 -0.182 0.000 1.221 353 Y HN -0.241 nan 8.280 nan 0.000 0.460 354 P HA -0.101 nan 4.420 nan 0.000 0.236 354 P C 1.189 177.853 177.300 -1.059 0.000 1.177 354 P CA 1.050 63.694 63.100 -0.759 0.000 0.773 354 P CB 0.224 31.435 31.700 -0.815 0.000 0.878 355 V N 0.230 119.704 119.914 -0.732 0.000 2.407 355 V HA -0.259 3.395 4.120 -0.777 0.000 0.248 355 V C 2.382 178.357 176.094 -0.199 0.000 1.055 355 V CA 2.327 64.386 62.300 -0.402 0.000 1.049 355 V CB -1.973 29.759 31.823 -0.150 0.000 0.662 355 V HN 0.165 nan 8.190 nan 0.000 0.455 356 E N 1.217 121.302 120.200 -0.191 0.000 2.204 356 E HA -0.194 3.690 4.350 -0.777 0.000 0.194 356 E C 2.290 178.871 176.600 -0.032 0.000 0.989 356 E CA 1.412 57.760 56.400 -0.087 0.000 0.824 356 E CB -0.623 28.989 29.700 -0.146 0.000 0.756 356 E HN 0.606 nan 8.360 nan 0.000 0.477 357 R N -0.318 120.080 120.500 -0.171 0.000 2.073 357 R HA -0.097 3.777 4.340 -0.777 0.000 0.229 357 R C 1.529 177.828 176.300 -0.002 0.000 1.120 357 R CA 1.138 57.169 56.100 -0.116 0.000 0.967 357 R CB -0.295 29.879 30.300 -0.210 0.000 0.862 357 R HN 0.243 nan 8.270 nan 0.000 0.436 358 Y N -0.533 119.752 120.300 -0.025 0.000 2.114 358 Y HA -0.283 3.797 4.550 -0.783 0.000 0.282 358 Y C 2.109 178.010 175.900 0.002 0.000 1.165 358 Y CA 1.112 59.187 58.100 -0.043 0.000 1.148 358 Y CB -1.246 37.174 38.460 -0.067 0.000 0.972 358 Y HN 0.273 nan 8.280 nan 0.000 0.504 359 W N 1.198 122.540 121.300 0.070 0.000 2.354 359 W HA -0.175 4.471 4.660 -0.024 0.000 0.315 359 W C 2.476 178.991 176.519 -0.006 0.000 1.206 359 W CA 2.166 59.522 57.345 0.018 0.000 1.290 359 W CB -0.336 29.122 29.460 -0.003 0.000 1.152 359 W HN -0.134 nan 8.180 nan 0.000 0.489 360 R N 0.020 120.685 120.500 0.275 0.000 2.105 360 R HA -0.185 3.689 4.340 -0.777 0.000 0.239 360 R C 1.680 177.903 176.300 -0.129 0.000 1.135 360 R CA 1.855 58.006 56.100 0.086 0.000 0.967 360 R CB -0.645 29.755 30.300 0.166 0.000 0.861 360 R HN 0.208 nan 8.270 nan 0.000 0.442 361 D N 0.286 120.641 120.400 -0.075 0.000 2.103 361 D HA -0.056 4.118 4.640 -0.777 0.000 0.199 361 D C 1.789 177.991 176.300 -0.164 0.000 0.978 361 D CA 1.446 55.393 54.000 -0.088 0.000 0.829 361 D CB -0.280 40.508 40.800 -0.019 0.000 0.981 361 D HN 0.202 nan 8.370 nan 0.000 0.464 362 A N 0.723 123.425 122.820 -0.197 0.000 2.015 362 A HA -0.150 3.704 4.320 -0.777 0.000 0.219 362 A C 2.094 179.459 177.584 -0.366 0.000 1.163 362 A CA 1.288 53.179 52.037 -0.243 0.000 0.646 362 A CB -0.394 18.482 19.000 -0.207 0.000 0.806 362 A HN 0.015 nan 8.150 nan 0.000 0.448 363 R N -0.434 119.709 120.500 -0.595 0.000 2.139 363 R HA -0.128 3.746 4.340 -0.777 0.000 0.243 363 R C 1.706 177.780 176.300 -0.377 0.000 1.145 363 R CA 1.524 57.212 56.100 -0.688 0.000 0.976 363 R CB -0.835 28.815 30.300 -1.083 0.000 0.866 363 R HN 0.450 nan 8.270 nan 0.000 0.449 364 L N 0.414 121.467 121.223 -0.283 0.000 2.291 364 L HA -0.040 3.834 4.340 -0.777 0.000 0.214 364 L C 1.837 178.612 176.870 -0.158 0.000 1.120 364 L CA 2.172 56.894 54.840 -0.198 0.000 0.799 364 L CB -0.761 41.202 42.059 -0.161 0.000 0.925 364 L HN 0.452 nan 8.230 nan 0.000 0.446 365 T N -3.621 110.836 114.554 -0.161 0.000 2.977 365 T HA -0.199 3.685 4.350 -0.777 0.000 0.271 365 T C 1.885 176.522 174.700 -0.105 0.000 1.105 365 T CA 1.161 63.188 62.100 -0.122 0.000 1.116 365 T CB -0.469 68.325 68.868 -0.122 0.000 0.878 365 T HN 0.400 nan 8.240 nan 0.000 0.509 366 R N -0.248 120.178 120.500 -0.123 0.000 2.297 366 R HA 0.436 4.310 4.340 -0.777 0.000 0.197 366 R C 1.633 177.889 176.300 -0.073 0.000 0.943 366 R CA 0.355 56.400 56.100 -0.092 0.000 1.038 366 R CB -0.004 30.236 30.300 -0.101 0.000 0.957 366 R HN 0.469 nan 8.270 nan 0.000 0.484 367 I N -1.248 119.271 120.570 -0.086 0.000 3.673 367 I HA 0.143 3.847 4.170 -0.777 0.000 0.281 367 I C 1.321 177.405 176.117 -0.054 0.000 1.182 367 I CA -0.122 61.134 61.300 -0.072 0.000 1.391 367 I CB -0.022 37.915 38.000 -0.105 0.000 1.383 367 I HN 0.009 nan 8.210 nan 0.000 0.456 368 G N 1.136 109.897 108.800 -0.065 0.000 2.491 368 G HA2 0.129 3.623 3.960 -0.777 0.000 0.242 368 G HA3 0.129 3.623 3.960 -0.777 0.000 0.242 368 G C 0.121 175.017 174.900 -0.008 0.000 1.266 368 G CA -0.000 45.081 45.100 -0.032 0.000 0.844 368 G HN 0.490 nan 8.290 nan 0.000 0.571 369 E N -0.724 119.494 120.200 0.030 0.000 2.389 369 E HA -0.164 3.720 4.350 -0.777 0.000 0.243 369 E C 0.668 177.278 176.600 0.017 0.000 1.154 369 E CA 0.648 57.066 56.400 0.030 0.000 0.723 369 E CB -1.702 27.992 29.700 -0.009 0.000 1.261 369 E HN 2.010 nan 8.360 nan 0.000 0.390 370 G N 0.374 109.192 108.800 0.029 0.000 3.383 370 G HA2 -0.131 3.363 3.960 -0.777 0.000 0.685 370 G HA3 -0.131 3.363 3.960 -0.777 0.000 0.685 370 G C 0.226 175.131 174.900 0.008 0.000 1.104 370 G CA -0.190 44.923 45.100 0.021 0.000 0.957 370 G HN 0.596 nan 8.290 nan 0.000 0.461 371 T N 0.408 114.969 114.554 0.011 0.000 2.795 371 T HA 0.479 4.363 4.350 -0.777 0.000 0.314 371 T C 1.904 176.604 174.700 0.001 0.000 1.069 371 T CA 0.692 62.792 62.100 -0.001 0.000 1.071 371 T CB 1.197 70.068 68.868 0.005 0.000 0.988 371 T HN 1.045 nan 8.240 nan 0.000 0.543 372 S N 1.110 116.807 115.700 -0.005 0.000 2.383 372 S HA -0.126 3.878 4.470 -0.777 0.000 0.229 372 S C 1.980 176.587 174.600 0.011 0.000 1.030 372 S CA 1.547 59.748 58.200 0.001 0.000 1.002 372 S CB -0.516 62.680 63.200 -0.006 0.000 0.829 372 S HN 0.825 nan 8.310 nan 0.000 0.467 373 E N 1.274 121.481 120.200 0.011 0.000 2.051 373 E HA -0.040 3.844 4.350 -0.777 0.000 0.192 373 E C 2.000 178.611 176.600 0.018 0.000 0.991 373 E CA 0.705 57.115 56.400 0.016 0.000 0.799 373 E CB -0.340 29.371 29.700 0.017 0.000 0.748 373 E HN 0.315 nan 8.360 nan 0.000 0.449 374 I N 0.541 121.122 120.570 0.019 0.000 2.226 374 I HA -0.228 3.476 4.170 -0.777 0.000 0.245 374 I C 2.194 178.321 176.117 0.016 0.000 1.100 374 I CA 1.242 62.554 61.300 0.021 0.000 1.374 374 I CB -0.939 37.076 38.000 0.026 0.000 1.057 374 I HN 0.160 nan 8.210 nan 0.000 0.413 375 L N 0.195 121.427 121.223 0.015 0.000 2.083 375 L HA -0.220 3.654 4.340 -0.777 0.000 0.209 375 L C 2.486 179.367 176.870 0.018 0.000 1.083 375 L CA 1.328 56.176 54.840 0.014 0.000 0.752 375 L CB -0.614 41.456 42.059 0.019 0.000 0.899 375 L HN 0.218 nan 8.230 nan 0.000 0.433 376 K N 0.121 120.534 120.400 0.022 0.000 2.097 376 K HA -0.119 3.735 4.320 -0.777 0.000 0.205 376 K C 2.121 178.732 176.600 0.018 0.000 1.050 376 K CA 1.016 57.317 56.287 0.024 0.000 0.938 376 K CB -0.114 32.401 32.500 0.025 0.000 0.718 376 K HN 0.250 nan 8.250 nan 0.000 0.442 377 L N 0.480 121.713 121.223 0.016 0.000 2.027 377 L HA -0.190 3.684 4.340 -0.777 0.000 0.206 377 L C 2.333 179.207 176.870 0.007 0.000 1.074 377 L CA 0.952 55.800 54.840 0.013 0.000 0.745 377 L CB -0.462 41.606 42.059 0.015 0.000 0.898 377 L HN -0.013 nan 8.230 nan 0.000 0.433 378 V N 0.298 120.214 119.914 0.003 0.000 2.287 378 V HA -0.325 3.329 4.120 -0.777 0.000 0.248 378 V C 2.303 178.393 176.094 -0.007 0.000 1.053 378 V CA 1.982 64.276 62.300 -0.008 0.000 1.027 378 V CB -0.351 31.461 31.823 -0.018 0.000 0.646 378 V HN 0.317 nan 8.190 nan 0.000 0.447 379 I N 0.236 120.807 120.570 0.002 0.000 2.179 379 I HA -0.227 3.476 4.170 -0.777 0.000 0.242 379 I C 2.685 178.805 176.117 0.006 0.000 1.088 379 I CA 1.509 62.812 61.300 0.006 0.000 1.357 379 I CB -0.641 37.370 38.000 0.019 0.000 1.051 379 I HN 0.283 nan 8.210 nan 0.000 0.409 380 A N 0.795 123.621 122.820 0.009 0.000 1.883 380 A HA -0.269 3.584 4.320 -0.777 0.000 0.217 380 A C 2.436 180.022 177.584 0.005 0.000 1.186 380 A CA 1.989 54.031 52.037 0.008 0.000 0.624 380 A CB -0.729 18.278 19.000 0.011 0.000 0.822 380 A HN 0.361 nan 8.150 nan 0.000 0.444 381 R N -0.864 119.637 120.500 0.003 0.000 2.083 381 R HA -0.220 3.654 4.340 -0.777 0.000 0.237 381 R C 2.375 178.674 176.300 -0.003 0.000 1.137 381 R CA 1.997 58.097 56.100 0.001 0.000 0.951 381 R CB -0.238 30.061 30.300 -0.002 0.000 0.851 381 R HN 0.373 nan 8.270 nan 0.000 0.434 382 R N 0.788 121.284 120.500 -0.007 0.000 2.096 382 R HA -0.043 3.831 4.340 -0.777 0.000 0.235 382 R C 2.134 178.431 176.300 -0.005 0.000 1.127 382 R CA 1.529 57.624 56.100 -0.009 0.000 0.968 382 R CB -0.639 29.651 30.300 -0.016 0.000 0.861 382 R HN 0.350 nan 8.270 nan 0.000 0.440 383 L N -0.286 120.936 121.223 -0.002 0.000 2.056 383 L HA -0.114 3.760 4.340 -0.777 0.000 0.207 383 L C 2.264 179.134 176.870 0.000 0.000 1.078 383 L CA 1.082 55.922 54.840 -0.001 0.000 0.749 383 L CB -0.421 41.639 42.059 0.002 0.000 0.901 383 L HN 0.176 nan 8.230 nan 0.000 0.433 384 L N -0.485 120.739 121.223 0.002 0.000 2.093 384 L HA -0.177 3.697 4.340 -0.777 0.000 0.208 384 L C 2.471 179.342 176.870 0.002 0.000 1.085 384 L CA 1.167 56.009 54.840 0.003 0.000 0.755 384 L CB -0.425 41.636 42.059 0.004 0.000 0.904 384 L HN 0.269 nan 8.230 nan 0.000 0.435 385 E N 0.200 120.401 120.200 0.001 0.000 2.150 385 E HA -0.150 3.734 4.350 -0.777 0.000 0.193 385 E C 1.998 178.599 176.600 0.001 0.000 0.985 385 E CA 1.026 57.427 56.400 0.002 0.000 0.814 385 E CB -0.126 29.575 29.700 0.001 0.000 0.752 385 E HN 0.476 nan 8.360 nan 0.000 0.466 386 A N 0.997 123.817 122.820 -0.000 0.000 2.251 386 A HA 0.131 3.985 4.320 -0.777 0.000 0.209 386 A C 1.003 178.587 177.584 -0.001 0.000 1.187 386 A CA -0.031 52.005 52.037 -0.001 0.000 0.823 386 A CB 0.188 19.187 19.000 -0.003 0.000 0.846 386 A HN -0.024 nan 8.150 nan 0.000 0.486 387 V N 0.000 119.914 119.914 -0.000 0.000 2.409 387 V HA 0.000 3.654 4.120 -0.777 0.000 0.244 387 V CA 0.000 62.300 62.300 -0.000 0.000 1.235 387 V CB 0.000 31.823 31.823 0.001 0.000 1.184 387 V HN 0.000 nan 8.190 nan 0.000 0.556