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 2e32_1_A DATA FIRST_RESID 49 DATA SEQUENCE EYLAELPEPL LLRVLAELPA TELVQACRLV CLRWKELVDG APLWLLKCQQ DATA SEQUENCE EGLVPXXXXX XXXXHWQQFY FLSKRRRNLL RNPCGEEDLE GWSDVEHGGD DATA SEQUENCE GWKVEELPGD NGVEFTQDDS VKKYFASSFE WCRKAQVIDL QAEGYWEELL DATA SEQUENCE DTTQPAIVVK DWYSGRTDAG SLYELTVRLL SENEDVLAEF ATGQVAVPED DATA SEQUENCE GSWMEISHTF IDYGPGVRFV RFEHGGQDSV YWKGWFGARV TNSSVWVEP 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 49 E HA 0.000 nan 4.350 nan 0.000 0.291 49 E C 0.000 176.666 176.600 0.110 0.000 1.382 49 E CA 0.000 56.462 56.400 0.104 0.000 0.976 49 E CB 0.000 29.807 29.700 0.178 0.000 0.812 50 Y N 1.652 121.961 120.300 0.016 0.000 2.535 50 Y HA 0.183 4.735 4.550 0.004 0.000 0.266 50 Y C 2.166 178.086 175.900 0.035 0.000 1.088 50 Y CA -0.023 58.089 58.100 0.020 0.000 1.285 50 Y CB 0.724 39.194 38.460 0.017 0.000 1.166 50 Y HN 0.157 nan 8.280 nan 0.000 0.525 51 L N 1.087 122.445 121.223 0.225 0.000 1.915 51 L HA -0.204 4.137 4.340 0.003 0.000 0.225 51 L C 1.870 178.841 176.870 0.168 0.000 1.084 51 L CA 2.316 57.266 54.840 0.183 0.000 0.788 51 L CB -1.267 40.903 42.059 0.186 0.000 0.892 51 L HN 0.187 nan 8.230 nan 0.000 0.434 52 A N -0.052 122.872 122.820 0.174 0.000 2.121 52 A HA -0.055 4.267 4.320 0.003 0.000 0.204 52 A C -0.063 177.583 177.584 0.102 0.000 1.365 52 A CA 0.634 52.774 52.037 0.172 0.000 1.070 52 A CB -1.047 18.053 19.000 0.168 0.000 0.756 52 A HN 0.707 nan 8.150 nan 0.000 0.521 53 E N -0.765 119.489 120.200 0.090 0.000 3.352 53 E HA 0.542 4.894 4.350 0.003 0.000 0.254 53 E C -1.060 175.580 176.600 0.066 0.000 1.229 53 E CA -0.180 56.254 56.400 0.056 0.000 0.949 53 E CB 1.116 30.831 29.700 0.024 0.000 1.373 53 E HN 0.287 nan 8.360 nan 0.000 0.392 54 L N 0.840 122.096 121.223 0.056 0.000 2.787 54 L HA 0.470 4.812 4.340 0.003 0.000 0.260 54 L C -2.917 173.965 176.870 0.020 0.000 0.921 54 L CA -1.424 53.444 54.840 0.046 0.000 0.984 54 L CB 1.442 43.538 42.059 0.062 0.000 1.519 54 L HN 0.024 nan 8.230 nan 0.000 0.452 55 P HA 0.134 nan 4.420 nan 0.000 0.271 55 P C 0.484 177.771 177.300 -0.022 0.000 1.216 55 P CA -0.014 63.083 63.100 -0.005 0.000 0.776 55 P CB 1.087 32.783 31.700 -0.007 0.000 0.881 56 E N 3.662 123.847 120.200 -0.025 0.000 2.132 56 E HA -0.248 4.104 4.350 0.003 0.000 0.218 56 E C -0.809 175.749 176.600 -0.070 0.000 1.058 56 E CA 2.479 58.850 56.400 -0.048 0.000 0.882 56 E CB -1.418 28.258 29.700 -0.040 0.000 0.774 56 E HN 0.393 nan 8.360 nan 0.000 0.467 57 P HA -0.207 nan 4.420 nan 0.000 0.218 57 P C 1.625 178.876 177.300 -0.081 0.000 1.152 57 P CA 1.562 64.620 63.100 -0.070 0.000 0.857 57 P CB -0.273 31.397 31.700 -0.051 0.000 0.787 58 L N -2.111 119.071 121.223 -0.069 0.000 2.127 58 L HA -0.060 4.282 4.340 0.003 0.000 0.203 58 L C 2.562 179.373 176.870 -0.100 0.000 1.080 58 L CA 0.684 55.482 54.840 -0.071 0.000 0.768 58 L CB -1.237 40.795 42.059 -0.045 0.000 0.924 58 L HN -0.028 nan 8.230 nan 0.000 0.444 59 L N 0.305 121.463 121.223 -0.108 0.000 2.081 59 L HA -0.230 4.111 4.340 0.003 0.000 0.212 59 L C 2.414 179.144 176.870 -0.234 0.000 1.080 59 L CA 1.690 56.429 54.840 -0.168 0.000 0.754 59 L CB -0.585 41.371 42.059 -0.171 0.000 0.893 59 L HN 0.092 nan 8.230 nan 0.000 0.433 60 L N -0.658 120.443 121.223 -0.203 0.000 1.994 60 L HA -0.210 4.131 4.340 0.003 0.000 0.208 60 L C 2.723 179.463 176.870 -0.216 0.000 1.071 60 L CA 1.665 56.366 54.840 -0.232 0.000 0.745 60 L CB -1.435 40.509 42.059 -0.192 0.000 0.892 60 L HN 0.343 nan 8.230 nan 0.000 0.431 61 R N -0.769 119.635 120.500 -0.161 0.000 2.113 61 R HA -0.185 4.156 4.340 0.003 0.000 0.244 61 R C 2.238 178.451 176.300 -0.144 0.000 1.142 61 R CA 1.623 57.641 56.100 -0.136 0.000 0.953 61 R CB -0.442 29.799 30.300 -0.098 0.000 0.860 61 R HN 0.215 nan 8.270 nan 0.000 0.438 62 V N 1.384 121.208 119.914 -0.149 0.000 2.237 62 V HA -0.268 3.853 4.120 0.003 0.000 0.245 62 V C 2.386 178.363 176.094 -0.195 0.000 1.046 62 V CA 1.830 64.043 62.300 -0.146 0.000 1.007 62 V CB -0.454 31.281 31.823 -0.147 0.000 0.638 62 V HN 0.304 nan 8.190 nan 0.000 0.445 63 L N 0.082 121.138 121.223 -0.278 0.000 2.017 63 L HA -0.180 4.161 4.340 0.003 0.000 0.208 63 L C 2.752 179.439 176.870 -0.305 0.000 1.073 63 L CA 1.533 56.170 54.840 -0.339 0.000 0.745 63 L CB -0.926 40.862 42.059 -0.453 0.000 0.894 63 L HN 0.387 nan 8.230 nan 0.000 0.432 64 A N -0.305 122.338 122.820 -0.294 0.000 2.067 64 A HA -0.301 4.021 4.320 0.003 0.000 0.224 64 A C 2.049 179.504 177.584 -0.215 0.000 1.172 64 A CA 2.197 54.068 52.037 -0.277 0.000 0.662 64 A CB -0.482 18.393 19.000 -0.208 0.000 0.814 64 A HN 0.380 nan 8.150 nan 0.000 0.468 65 E N -1.121 118.978 120.200 -0.169 0.000 2.489 65 E HA 0.251 4.602 4.350 0.003 0.000 0.193 65 E C 0.056 176.601 176.600 -0.092 0.000 1.057 65 E CA 0.077 56.412 56.400 -0.108 0.000 0.866 65 E CB -0.091 29.557 29.700 -0.087 0.000 0.916 65 E HN 0.661 nan 8.360 nan 0.000 0.500 66 L N 1.179 122.328 121.223 -0.124 0.000 2.331 66 L HA 0.420 4.761 4.340 0.003 0.000 0.275 66 L C -2.077 174.751 176.870 -0.071 0.000 1.022 66 L CA -2.624 52.168 54.840 -0.080 0.000 0.812 66 L CB 1.092 43.107 42.059 -0.074 0.000 1.257 66 L HN -0.199 nan 8.230 nan 0.000 0.435 67 P HA -0.129 nan 4.420 nan 0.000 0.255 67 P C 0.367 177.702 177.300 0.058 0.000 1.161 67 P CA 0.365 63.491 63.100 0.043 0.000 0.768 67 P CB 0.583 32.319 31.700 0.059 0.000 0.746 68 A N 4.876 127.739 122.820 0.072 0.000 1.903 68 A HA -0.257 4.065 4.320 0.003 0.000 0.219 68 A C 2.068 179.862 177.584 0.350 0.000 1.191 68 A CA 2.693 54.833 52.037 0.173 0.000 0.638 68 A CB -1.854 17.107 19.000 -0.066 0.000 0.823 68 A HN 0.525 nan 8.150 nan 0.000 0.451 69 T N 0.085 114.851 114.554 0.354 0.000 2.616 69 T HA -0.312 4.039 4.350 0.003 0.000 0.261 69 T C 1.634 176.434 174.700 0.167 0.000 1.105 69 T CA 2.081 64.323 62.100 0.237 0.000 1.159 69 T CB -0.563 68.394 68.868 0.149 0.000 0.856 69 T HN 0.713 nan 8.240 nan 0.000 0.449 70 E N 0.411 120.687 120.200 0.127 0.000 2.216 70 E HA 0.092 4.444 4.350 0.003 0.000 0.192 70 E C 2.319 178.979 176.600 0.099 0.000 0.988 70 E CA 0.323 56.779 56.400 0.092 0.000 0.834 70 E CB -0.163 29.576 29.700 0.065 0.000 0.772 70 E HN 0.473 nan 8.360 nan 0.000 0.479 71 L N 0.443 121.730 121.223 0.106 0.000 2.072 71 L HA -0.133 4.209 4.340 0.003 0.000 0.205 71 L C 2.378 179.355 176.870 0.178 0.000 1.079 71 L CA 0.779 55.674 54.840 0.091 0.000 0.752 71 L CB -0.378 41.682 42.059 0.002 0.000 0.906 71 L HN 0.061 nan 8.230 nan 0.000 0.436 72 V N -1.006 119.052 119.914 0.240 0.000 2.407 72 V HA -0.216 3.905 4.120 0.003 0.000 0.245 72 V C 2.290 178.453 176.094 0.115 0.000 1.041 72 V CA 1.353 63.778 62.300 0.208 0.000 1.040 72 V CB -0.551 31.393 31.823 0.201 0.000 0.671 72 V HN 0.396 nan 8.190 nan 0.000 0.455 73 Q N -0.179 119.677 119.800 0.094 0.000 2.020 73 Q HA -0.032 4.309 4.340 0.003 0.000 0.198 73 Q C 2.283 178.321 176.000 0.064 0.000 0.974 73 Q CA 1.941 57.777 55.803 0.055 0.000 0.829 73 Q CB -0.219 28.546 28.738 0.043 0.000 0.894 73 Q HN 0.655 nan 8.270 nan 0.000 0.433 74 A N -0.892 121.978 122.820 0.082 0.000 1.909 74 A HA -0.043 4.279 4.320 0.003 0.000 0.209 74 A C 2.193 179.848 177.584 0.117 0.000 1.247 74 A CA 0.489 52.575 52.037 0.081 0.000 0.660 74 A CB -0.657 18.389 19.000 0.076 0.000 0.910 74 A HN 0.500 nan 8.150 nan 0.000 0.465 75 C N -0.480 118.920 119.300 0.166 0.000 2.422 75 C HA 0.012 4.474 4.460 0.003 0.000 0.279 75 C C 2.569 177.723 174.990 0.273 0.000 1.305 75 C CA 1.046 60.237 59.018 0.288 0.000 1.757 75 C CB -1.363 26.519 27.740 0.238 0.000 1.962 75 C HN 0.577 nan 8.230 nan 0.000 0.499 76 R N 0.199 120.808 120.500 0.181 0.000 2.323 76 R HA 0.133 4.475 4.340 0.003 0.000 0.198 76 R C 1.522 177.895 176.300 0.122 0.000 0.988 76 R CA 0.503 56.700 56.100 0.162 0.000 1.041 76 R CB 0.001 30.384 30.300 0.139 0.000 0.926 76 R HN 0.536 nan 8.270 nan 0.000 0.476 77 L N -0.800 120.484 121.223 0.101 0.000 2.638 77 L HA 0.059 4.401 4.340 0.003 0.000 0.232 77 L C 1.668 178.542 176.870 0.008 0.000 1.099 77 L CA 0.106 54.976 54.840 0.050 0.000 0.883 77 L CB 0.415 42.494 42.059 0.034 0.000 1.136 77 L HN 0.019 nan 8.230 nan 0.000 0.492 78 V N 0.470 120.382 119.914 -0.004 0.000 2.220 78 V HA -0.253 3.869 4.120 0.003 0.000 0.246 78 V C 1.132 177.110 176.094 -0.193 0.000 1.049 78 V CA 1.755 63.959 62.300 -0.160 0.000 1.003 78 V CB -0.459 31.148 31.823 -0.359 0.000 0.634 78 V HN 0.710 nan 8.190 nan 0.000 0.444 79 C N -3.001 116.218 119.300 -0.135 0.000 3.320 79 C HA 0.476 4.938 4.460 0.003 0.000 0.335 79 C C 1.158 176.175 174.990 0.046 0.000 1.430 79 C CA -0.792 58.172 59.018 -0.090 0.000 1.271 79 C CB 0.645 28.262 27.740 -0.205 0.000 1.609 79 C HN 0.252 nan 8.230 nan 0.000 0.457 80 L N 1.675 122.923 121.223 0.042 0.000 1.971 80 L HA -0.102 4.240 4.340 0.003 0.000 0.215 80 L C 2.799 179.746 176.870 0.128 0.000 1.072 80 L CA 2.656 57.540 54.840 0.074 0.000 0.758 80 L CB -1.243 40.845 42.059 0.048 0.000 0.889 80 L HN 1.028 nan 8.230 nan 0.000 0.433 81 R N -1.277 119.317 120.500 0.157 0.000 2.097 81 R HA -0.251 4.091 4.340 0.003 0.000 0.236 81 R C 2.237 178.693 176.300 0.260 0.000 1.135 81 R CA 2.243 58.461 56.100 0.196 0.000 0.934 81 R CB -0.466 29.968 30.300 0.222 0.000 0.846 81 R HN 0.244 nan 8.270 nan 0.000 0.431 82 W N 1.205 122.505 121.300 0.000 0.000 2.290 82 W HA -0.307 4.353 4.660 0.001 0.000 0.323 82 W C 2.411 178.935 176.519 0.010 0.000 1.260 82 W CA 2.174 59.517 57.345 -0.004 0.000 1.266 82 W CB -0.894 28.563 29.460 -0.004 0.000 1.149 82 W HN 0.258 nan 8.180 nan 0.000 0.482 83 K N 0.572 121.125 120.400 0.255 0.000 1.973 83 K HA -0.257 4.064 4.320 0.003 0.000 0.212 83 K C 2.020 178.696 176.600 0.126 0.000 1.047 83 K CA 1.975 58.361 56.287 0.166 0.000 0.937 83 K CB -0.884 31.697 32.500 0.135 0.000 0.721 83 K HN 0.039 nan 8.250 nan 0.000 0.440 84 E N 0.985 121.250 120.200 0.109 0.000 2.394 84 E HA -0.225 4.127 4.350 0.003 0.000 0.202 84 E C 1.673 178.315 176.600 0.069 0.000 1.029 84 E CA 1.026 57.476 56.400 0.083 0.000 0.855 84 E CB -0.023 29.719 29.700 0.070 0.000 0.770 84 E HN 0.547 nan 8.360 nan 0.000 0.527 85 L N -0.314 120.942 121.223 0.055 0.000 2.200 85 L HA -0.050 4.291 4.340 0.003 0.000 0.200 85 L C 2.491 179.352 176.870 -0.014 0.000 1.072 85 L CA 0.372 55.205 54.840 -0.013 0.000 0.787 85 L CB -0.022 41.971 42.059 -0.109 0.000 0.957 85 L HN -0.010 nan 8.230 nan 0.000 0.459 86 V N -0.140 119.787 119.914 0.022 0.000 2.660 86 V HA -0.271 3.851 4.120 0.003 0.000 0.257 86 V C 0.927 177.232 176.094 0.350 0.000 1.088 86 V CA 1.562 63.927 62.300 0.108 0.000 1.106 86 V CB -0.589 31.343 31.823 0.183 0.000 0.686 86 V HN 0.433 nan 8.190 nan 0.000 0.481 87 D N 0.323 120.868 120.400 0.243 0.000 2.388 87 D HA 0.214 4.856 4.640 0.003 0.000 0.221 87 D C 1.015 177.449 176.300 0.224 0.000 1.133 87 D CA 0.307 54.471 54.000 0.274 0.000 0.831 87 D CB 0.240 41.139 40.800 0.166 0.000 0.962 87 D HN 0.430 nan 8.370 nan 0.000 0.502 88 G N 0.273 109.192 108.800 0.199 0.000 2.491 88 G HA2 0.316 4.277 3.960 0.003 0.000 0.242 88 G HA3 0.316 4.277 3.960 0.003 0.000 0.242 88 G C 1.143 176.214 174.900 0.286 0.000 1.266 88 G CA 0.035 45.226 45.100 0.151 0.000 0.844 88 G HN 0.130 nan 8.290 nan 0.000 0.571 89 A N 3.734 126.693 122.820 0.232 0.000 1.854 89 A HA 0.074 4.396 4.320 0.003 0.000 0.214 89 A C 0.876 178.588 177.584 0.213 0.000 1.192 89 A CA 1.674 53.915 52.037 0.339 0.000 0.611 89 A CB -0.969 18.219 19.000 0.314 0.000 0.832 89 A HN 0.546 nan 8.150 nan 0.000 0.442 90 P HA -0.229 nan 4.420 nan 0.000 0.216 90 P C 1.822 179.053 177.300 -0.116 0.000 1.157 90 P CA 1.290 64.362 63.100 -0.048 0.000 0.880 90 P CB -0.276 31.395 31.700 -0.048 0.000 0.791 91 L N -1.240 119.887 121.223 -0.159 0.000 2.013 91 L HA -0.158 4.183 4.340 0.003 0.000 0.212 91 L C 2.409 178.966 176.870 -0.522 0.000 1.073 91 L CA 2.300 56.904 54.840 -0.393 0.000 0.753 91 L CB -1.354 40.381 42.059 -0.540 0.000 0.890 91 L HN 0.006 nan 8.230 nan 0.000 0.432 92 W N -0.234 121.014 121.300 -0.086 0.000 2.409 92 W HA -0.097 4.564 4.660 0.001 0.000 0.299 92 W C 2.600 179.048 176.519 -0.119 0.000 1.203 92 W CA 0.192 57.479 57.345 -0.098 0.000 1.298 92 W CB -0.536 28.972 29.460 0.080 0.000 1.127 92 W HN 0.039 nan 8.180 nan 0.000 0.528 93 L N 0.286 121.500 121.223 -0.014 0.000 2.081 93 L HA -0.263 4.079 4.340 0.003 0.000 0.212 93 L C 2.356 179.088 176.870 -0.229 0.000 1.080 93 L CA 1.266 55.876 54.840 -0.383 0.000 0.754 93 L CB -0.638 41.108 42.059 -0.521 0.000 0.893 93 L HN 0.131 nan 8.230 nan 0.000 0.433 94 L N -0.168 120.954 121.223 -0.168 0.000 1.982 94 L HA -0.204 4.138 4.340 0.003 0.000 0.206 94 L C 2.400 179.220 176.870 -0.084 0.000 1.078 94 L CA 1.775 56.531 54.840 -0.139 0.000 0.749 94 L CB -0.700 41.264 42.059 -0.159 0.000 0.894 94 L HN 0.020 nan 8.230 nan 0.000 0.436 95 K N -0.711 119.615 120.400 -0.123 0.000 2.207 95 K HA -0.282 4.039 4.320 0.003 0.000 0.208 95 K C 2.011 178.715 176.600 0.174 0.000 1.046 95 K CA 1.804 58.055 56.287 -0.061 0.000 0.929 95 K CB -0.716 31.612 32.500 -0.287 0.000 0.720 95 K HN 0.548 nan 8.250 nan 0.000 0.463 96 C N 0.689 120.122 119.300 0.221 0.000 2.928 96 C HA -0.100 4.361 4.460 0.003 0.000 0.291 96 C C 2.588 177.664 174.990 0.144 0.000 1.260 96 C CA 0.464 59.665 59.018 0.304 0.000 1.756 96 C CB -0.769 27.150 27.740 0.298 0.000 2.125 96 C HN 0.527 nan 8.230 nan 0.000 0.467 97 Q N 0.446 120.268 119.800 0.037 0.000 2.224 97 Q HA -0.328 4.014 4.340 0.003 0.000 0.213 97 Q C 1.970 177.980 176.000 0.017 0.000 0.998 97 Q CA 1.852 57.657 55.803 0.003 0.000 0.895 97 Q CB -0.774 27.931 28.738 -0.056 0.000 0.926 97 Q HN 0.740 nan 8.270 nan 0.000 0.417 98 Q N 0.173 119.983 119.800 0.017 0.000 2.197 98 Q HA -0.174 4.167 4.340 0.003 0.000 0.207 98 Q C 0.074 176.098 176.000 0.040 0.000 0.984 98 Q CA 1.293 57.105 55.803 0.016 0.000 0.869 98 Q CB 0.136 28.876 28.738 0.004 0.000 0.906 98 Q HN 0.489 nan 8.270 nan 0.000 0.426 99 E N -1.777 118.468 120.200 0.074 0.000 3.846 99 E HA 0.290 4.642 4.350 0.003 0.000 0.216 99 E C 0.344 176.977 176.600 0.056 0.000 1.092 99 E CA 0.235 56.672 56.400 0.061 0.000 1.370 99 E CB 0.994 30.736 29.700 0.071 0.000 1.227 99 E HN 0.343 nan 8.360 nan 0.000 0.442 100 G N 1.083 109.917 108.800 0.056 0.000 2.674 100 G HA2 -0.505 3.456 3.960 0.003 0.000 0.236 100 G HA3 -0.505 3.456 3.960 0.003 0.000 0.236 100 G C 1.246 176.205 174.900 0.097 0.000 1.178 100 G CA 0.776 45.911 45.100 0.059 0.000 0.721 100 G HN 0.390 nan 8.290 nan 0.000 0.515 101 L N 0.676 121.963 121.223 0.106 0.000 2.272 101 L HA -0.262 4.079 4.340 0.003 0.000 0.233 101 L C 1.880 178.950 176.870 0.333 0.000 1.125 101 L CA 1.719 56.655 54.840 0.160 0.000 0.851 101 L CB -1.407 40.751 42.059 0.166 0.000 0.933 101 L HN 0.346 nan 8.230 nan 0.000 0.452 102 V N 1.382 121.502 119.914 0.343 0.000 2.625 102 V HA -0.062 4.060 4.120 0.003 0.000 0.305 102 V C -1.017 175.237 176.094 0.265 0.000 1.055 102 V CA -0.846 61.654 62.300 0.334 0.000 1.209 102 V CB -0.696 31.203 31.823 0.128 0.000 0.877 102 V HN 0.213 nan 8.190 nan 0.000 0.489 114 W N 3.059 124.556 121.300 0.329 0.000 2.494 114 W HA -0.010 4.652 4.660 0.003 0.000 0.286 114 W C 2.532 179.145 176.519 0.157 0.000 1.218 114 W CA 0.889 58.384 57.345 0.250 0.000 1.313 114 W CB 0.163 29.784 29.460 0.267 0.000 1.105 114 W HN 0.657 nan 8.180 nan 0.000 0.561 115 Q N 1.019 120.849 119.800 0.050 0.000 2.029 115 Q HA -0.344 3.997 4.340 0.003 0.000 0.209 115 Q C 2.085 177.942 176.000 -0.238 0.000 0.999 115 Q CA 2.609 57.956 55.803 -0.761 0.000 0.857 115 Q CB -0.450 27.568 28.738 -1.199 0.000 0.926 115 Q HN 0.378 nan 8.270 nan 0.000 0.415 116 Q N -0.527 119.131 119.800 -0.237 0.000 1.975 116 Q HA -0.205 4.136 4.340 0.003 0.000 0.205 116 Q C 2.018 178.152 176.000 0.222 0.000 0.990 116 Q CA 1.725 57.561 55.803 0.055 0.000 0.845 116 Q CB -0.446 28.241 28.738 -0.085 0.000 0.913 116 Q HN 0.521 nan 8.270 nan 0.000 0.420 117 F N 0.662 120.654 119.950 0.070 0.000 2.111 117 F HA -0.374 4.154 4.527 0.003 0.000 0.300 117 F C 2.157 178.084 175.800 0.212 0.000 1.088 117 F CA 2.052 60.136 58.000 0.138 0.000 1.243 117 F CB -0.553 38.540 39.000 0.155 0.000 0.996 117 F HN 0.157 nan 8.300 nan 0.000 0.483 118 Y N -0.180 120.258 120.300 0.230 0.000 2.049 118 Y HA -0.286 4.263 4.550 -0.002 0.000 0.277 118 Y C 2.250 178.105 175.900 -0.074 0.000 1.143 118 Y CA 2.264 60.391 58.100 0.046 0.000 1.115 118 Y CB -1.084 37.442 38.460 0.109 0.000 0.975 118 Y HN 0.095 nan 8.280 nan 0.000 0.487 119 F N -0.008 120.088 119.950 0.244 0.000 2.236 119 F HA -0.281 4.248 4.527 0.002 0.000 0.302 119 F C 2.119 177.901 175.800 -0.030 0.000 1.073 119 F CA 1.057 59.137 58.000 0.133 0.000 1.336 119 F CB -0.196 38.922 39.000 0.197 0.000 1.040 119 F HN 0.138 nan 8.300 nan 0.000 0.507 120 L N -1.660 119.638 121.223 0.125 0.000 2.044 120 L HA -0.184 4.158 4.340 0.003 0.000 0.205 120 L C 2.540 179.352 176.870 -0.097 0.000 1.075 120 L CA 0.939 55.788 54.840 0.015 0.000 0.747 120 L CB -0.804 41.265 42.059 0.016 0.000 0.903 120 L HN -0.061 nan 8.230 nan 0.000 0.435 121 S N -0.405 115.111 115.700 -0.306 0.000 2.400 121 S HA -0.154 4.317 4.470 0.003 0.000 0.232 121 S C 1.984 176.429 174.600 -0.257 0.000 1.025 121 S CA 1.159 59.134 58.200 -0.376 0.000 0.993 121 S CB -0.043 62.773 63.200 -0.640 0.000 0.808 121 S HN 0.247 nan 8.310 nan 0.000 0.478 122 K N 1.088 121.320 120.400 -0.280 0.000 2.001 122 K HA 0.062 4.384 4.320 0.003 0.000 0.208 122 K C 2.262 178.824 176.600 -0.064 0.000 1.048 122 K CA 1.233 57.411 56.287 -0.183 0.000 0.932 122 K CB -0.449 31.974 32.500 -0.130 0.000 0.715 122 K HN 0.111 nan 8.250 nan 0.000 0.437 123 R N 0.885 121.360 120.500 -0.041 0.000 2.055 123 R HA 0.010 4.352 4.340 0.003 0.000 0.228 123 R C 0.398 176.716 176.300 0.030 0.000 1.143 123 R CA 0.505 56.569 56.100 -0.060 0.000 0.945 123 R CB -0.788 29.346 30.300 -0.276 0.000 0.841 123 R HN 0.296 nan 8.270 nan 0.000 0.429 124 R N 2.295 122.863 120.500 0.112 0.000 3.972 124 R HA -0.235 4.107 4.340 0.003 0.000 0.133 124 R C -0.804 175.600 176.300 0.173 0.000 0.492 124 R CA 1.139 57.358 56.100 0.199 0.000 0.819 124 R CB -0.256 30.155 30.300 0.186 0.000 1.090 124 R HN 0.431 nan 8.270 nan 0.000 0.252 125 R N 2.604 123.131 120.500 0.045 0.000 3.197 125 R HA 0.030 4.372 4.340 0.003 0.000 0.261 125 R C -1.709 174.067 176.300 -0.873 0.000 1.015 125 R CA -0.807 55.147 56.100 -0.242 0.000 0.949 125 R CB 0.098 30.328 30.300 -0.117 0.000 1.256 125 R HN 0.558 nan 8.270 nan 0.000 0.514 126 N N 2.419 120.315 118.700 -1.339 0.000 2.359 126 N HA -0.005 4.737 4.740 0.003 0.000 0.261 126 N C 0.393 175.525 175.510 -0.630 0.000 1.267 126 N CA 0.073 52.362 53.050 -1.268 0.000 0.864 126 N CB 0.548 38.595 38.487 -0.734 0.000 1.063 126 N HN 0.675 nan 8.380 nan 0.000 0.474 127 L N 2.808 123.706 121.223 -0.542 0.000 2.567 127 L HA 0.200 4.542 4.340 0.003 0.000 0.225 127 L C 0.528 177.218 176.870 -0.300 0.000 1.119 127 L CA -0.044 54.599 54.840 -0.329 0.000 0.871 127 L CB -0.098 41.803 42.059 -0.263 0.000 1.036 127 L HN 0.409 nan 8.230 nan 0.000 0.459 128 L N 1.481 122.499 121.223 -0.343 0.000 2.315 128 L HA 0.197 4.538 4.340 0.003 0.000 0.283 128 L C 0.448 177.109 176.870 -0.348 0.000 1.089 128 L CA -0.081 54.525 54.840 -0.390 0.000 0.833 128 L CB 0.588 42.394 42.059 -0.422 0.000 1.170 128 L HN 0.157 nan 8.230 nan 0.000 0.442 129 R N 4.738 125.005 120.500 -0.389 0.000 2.296 129 R HA 0.031 4.372 4.340 0.003 0.000 0.323 129 R C 0.341 176.478 176.300 -0.272 0.000 1.067 129 R CA 0.083 56.006 56.100 -0.295 0.000 0.946 129 R CB 0.014 30.148 30.300 -0.276 0.000 0.991 129 R HN 0.750 nan 8.270 nan 0.000 0.448 130 N N 3.563 122.197 118.700 -0.109 0.000 2.590 130 N HA -0.078 4.663 4.740 0.003 0.000 0.273 130 N C -2.263 173.388 175.510 0.235 0.000 1.210 130 N CA -0.480 52.595 53.050 0.042 0.000 0.676 130 N CB 0.149 38.677 38.487 0.068 0.000 0.881 130 N HN 0.324 nan 8.380 nan 0.000 0.550 131 P HA 0.222 nan 4.420 nan 0.000 0.245 131 P C 0.468 178.008 177.300 0.401 0.000 1.206 131 P CA 0.593 63.860 63.100 0.277 0.000 0.781 131 P CB 0.295 32.063 31.700 0.114 0.000 0.994 132 C N -3.343 116.110 119.300 0.254 0.000 3.882 132 C HA 0.627 5.088 4.460 0.003 0.000 0.340 132 C C 1.577 176.238 174.990 -0.549 0.000 1.563 132 C CA 0.108 59.089 59.018 -0.061 0.000 1.870 132 C CB -0.302 27.358 27.740 -0.134 0.000 2.795 132 C HN 0.360 nan 8.230 nan 0.000 0.692 133 G N 1.495 110.161 108.800 -0.223 0.000 2.144 133 G HA2 -0.195 3.767 3.960 0.003 0.000 0.218 133 G HA3 -0.195 3.767 3.960 0.003 0.000 0.218 133 G C 0.620 175.416 174.900 -0.173 0.000 0.988 133 G CA 0.459 45.364 45.100 -0.325 0.000 0.659 133 G HN 0.401 nan 8.290 nan 0.000 0.522 134 E N 0.350 120.481 120.200 -0.114 0.000 2.209 134 E HA -0.078 4.274 4.350 0.003 0.000 0.196 134 E C 0.485 177.064 176.600 -0.035 0.000 0.993 134 E CA 1.421 57.771 56.400 -0.082 0.000 0.819 134 E CB 0.046 29.706 29.700 -0.067 0.000 0.745 134 E HN 0.783 nan 8.360 nan 0.000 0.477 135 E N 1.125 121.333 120.200 0.014 0.000 2.141 135 E HA 0.112 4.464 4.350 0.003 0.000 0.259 135 E C 0.099 176.752 176.600 0.088 0.000 0.883 135 E CA -0.407 56.013 56.400 0.033 0.000 0.744 135 E CB 1.279 30.998 29.700 0.032 0.000 1.150 135 E HN -0.160 nan 8.360 nan 0.000 0.420 136 D N 2.026 122.461 120.400 0.059 0.000 2.440 136 D HA -0.262 4.379 4.640 0.003 0.000 0.476 136 D C 0.664 177.093 176.300 0.214 0.000 1.144 136 D CA 1.634 55.689 54.000 0.091 0.000 1.398 136 D CB 0.011 40.853 40.800 0.071 0.000 1.516 136 D HN 0.400 nan 8.370 nan 0.000 0.512 137 L N 0.603 121.939 121.223 0.189 0.000 3.096 137 L HA 0.179 4.521 4.340 0.003 0.000 0.247 137 L C 0.072 177.083 176.870 0.235 0.000 1.321 137 L CA -0.563 54.418 54.840 0.234 0.000 1.044 137 L CB 0.364 42.502 42.059 0.132 0.000 1.434 137 L HN -0.080 nan 8.230 nan 0.000 0.533 138 E N 1.861 122.180 120.200 0.198 0.000 2.729 138 E HA 0.037 4.388 4.350 0.003 0.000 0.246 138 E C 1.263 177.925 176.600 0.103 0.000 0.984 138 E CA 0.804 57.276 56.400 0.119 0.000 0.951 138 E CB 0.445 30.190 29.700 0.075 0.000 0.914 138 E HN 0.547 nan 8.360 nan 0.000 0.509 139 G N 3.111 111.931 108.800 0.033 0.000 2.225 139 G HA2 -0.291 3.671 3.960 0.003 0.000 0.267 139 G HA3 -0.291 3.671 3.960 0.003 0.000 0.267 139 G C -0.063 174.719 174.900 -0.195 0.000 1.024 139 G CA 0.469 45.518 45.100 -0.085 0.000 0.784 139 G HN 0.470 nan 8.290 nan 0.000 0.507 140 W N -0.108 121.145 121.300 -0.080 0.000 2.481 140 W HA 0.710 5.373 4.660 0.003 0.000 0.369 140 W C 0.823 177.296 176.519 -0.076 0.000 1.235 140 W CA 0.265 57.542 57.345 -0.113 0.000 1.344 140 W CB 1.758 31.097 29.460 -0.201 0.000 1.360 140 W HN 0.732 nan 8.180 nan 0.000 0.658 141 S N -1.127 114.708 115.700 0.225 0.000 2.661 141 S HA 0.247 4.719 4.470 0.003 0.000 0.268 141 S C -0.713 173.948 174.600 0.102 0.000 1.162 141 S CA -0.453 57.816 58.200 0.115 0.000 0.817 141 S CB 1.566 64.796 63.200 0.049 0.000 1.141 141 S HN 0.663 nan 8.310 nan 0.000 0.477 142 D N -0.789 119.646 120.400 0.060 0.000 3.068 142 D HA -0.141 4.500 4.640 0.003 0.000 0.219 142 D C 0.239 176.569 176.300 0.050 0.000 1.175 142 D CA 1.130 55.157 54.000 0.044 0.000 0.942 142 D CB -2.176 38.645 40.800 0.034 0.000 1.127 142 D HN 0.752 nan 8.370 nan 0.000 0.404 143 V N 1.392 121.340 119.914 0.057 0.000 2.938 143 V HA -0.177 3.945 4.120 0.003 0.000 0.284 143 V C 0.986 177.045 176.094 -0.059 0.000 1.027 143 V CA 1.300 63.607 62.300 0.013 0.000 1.208 143 V CB -0.849 30.946 31.823 -0.046 0.000 0.806 143 V HN 0.218 nan 8.190 nan 0.000 0.445 144 E N 4.949 125.135 120.200 -0.024 0.000 2.151 144 E HA 0.453 4.805 4.350 0.003 0.000 0.275 144 E C -0.428 176.085 176.600 -0.145 0.000 0.936 144 E CA -0.719 55.647 56.400 -0.056 0.000 0.777 144 E CB 1.004 30.701 29.700 -0.006 0.000 1.108 144 E HN 0.547 nan 8.360 nan 0.000 0.401 145 H N 3.030 122.108 119.070 0.015 0.000 2.788 145 H HA 0.265 4.822 4.556 0.003 0.000 0.254 145 H C 0.213 175.456 175.328 -0.142 0.000 1.541 145 H CA -0.506 55.499 56.048 -0.072 0.000 1.295 145 H CB 0.417 30.188 29.762 0.014 0.000 1.592 145 H HN 0.759 nan 8.280 nan 0.000 0.545 146 G N 0.721 109.444 108.800 -0.129 0.000 2.441 146 G HA2 0.340 4.301 3.960 0.003 0.000 0.243 146 G HA3 0.340 4.301 3.960 0.003 0.000 0.243 146 G C 0.841 175.493 174.900 -0.413 0.000 1.281 146 G CA 0.395 45.378 45.100 -0.195 0.000 0.854 146 G HN 0.758 nan 8.290 nan 0.000 0.560 147 G N 2.520 111.026 108.800 -0.491 0.000 2.622 147 G HA2 -0.335 3.626 3.960 0.003 0.000 0.307 147 G HA3 -0.335 3.626 3.960 0.003 0.000 0.307 147 G C 0.806 175.351 174.900 -0.592 0.000 1.226 147 G CA 0.599 45.093 45.100 -1.009 0.000 0.997 147 G HN 0.641 nan 8.290 nan 0.000 0.551 148 D N 3.182 123.121 120.400 -0.767 0.000 2.352 148 D HA 0.397 5.039 4.640 0.003 0.000 0.232 148 D C 1.601 177.884 176.300 -0.029 0.000 1.055 148 D CA 2.169 55.949 54.000 -0.366 0.000 0.891 148 D CB -0.391 39.952 40.800 -0.762 0.000 0.897 148 D HN 1.604 nan 8.370 nan 0.000 0.529 149 G N 0.027 108.780 108.800 -0.078 0.000 2.632 149 G HA2 -0.261 3.701 3.960 0.003 0.000 0.224 149 G HA3 -0.261 3.701 3.960 0.003 0.000 0.224 149 G C -0.488 174.608 174.900 0.326 0.000 1.341 149 G CA -0.532 44.686 45.100 0.195 0.000 0.880 149 G HN 0.234 nan 8.290 nan 0.000 0.566 150 W N 0.390 121.986 121.300 0.494 0.000 2.141 150 W HA 0.663 5.325 4.660 0.004 0.000 0.354 150 W C 0.760 177.374 176.519 0.157 0.000 1.297 150 W CA 0.410 57.938 57.345 0.306 0.000 1.380 150 W CB 1.029 30.615 29.460 0.209 0.000 1.168 150 W HN 0.710 nan 8.180 nan 0.000 0.639 151 K N 0.150 120.710 120.400 0.266 0.000 2.580 151 K HA 0.338 4.659 4.320 0.003 0.000 0.258 151 K C -2.049 174.426 176.600 -0.208 0.000 0.936 151 K CA -0.606 55.565 56.287 -0.193 0.000 0.852 151 K CB 1.143 33.064 32.500 -0.966 0.000 1.329 151 K HN 0.225 nan 8.250 nan 0.000 0.430 152 V N 4.297 124.054 119.914 -0.263 0.000 2.385 152 V HA 0.309 4.431 4.120 0.003 0.000 0.269 152 V C -0.115 175.688 176.094 -0.485 0.000 1.043 152 V CA -0.228 61.813 62.300 -0.432 0.000 0.906 152 V CB 0.716 32.305 31.823 -0.389 0.000 0.995 152 V HN 0.784 nan 8.190 nan 0.000 0.467 153 E N 3.497 123.271 120.200 -0.711 0.000 2.334 153 E HA 0.625 4.976 4.350 0.003 0.000 0.256 153 E C -0.992 175.300 176.600 -0.512 0.000 0.958 153 E CA -1.050 55.015 56.400 -0.559 0.000 0.821 153 E CB 1.973 31.375 29.700 -0.496 0.000 1.269 153 E HN 0.601 nan 8.360 nan 0.000 0.413 154 E N 0.766 120.870 120.200 -0.161 0.000 2.202 154 E HA 0.306 4.658 4.350 0.003 0.000 0.272 154 E C -0.339 176.434 176.600 0.289 0.000 0.951 154 E CA -0.614 55.795 56.400 0.015 0.000 0.813 154 E CB 1.678 31.373 29.700 -0.009 0.000 1.151 154 E HN 0.270 nan 8.360 nan 0.000 0.398 155 L N 3.974 125.355 121.223 0.263 0.000 2.485 155 L HA 0.098 4.439 4.340 0.003 0.000 0.275 155 L C -1.764 175.179 176.870 0.123 0.000 1.207 155 L CA -1.177 53.783 54.840 0.199 0.000 0.855 155 L CB -0.109 41.997 42.059 0.078 0.000 1.114 155 L HN 0.248 nan 8.230 nan 0.000 0.485 156 P HA 0.161 nan 4.420 nan 0.000 0.278 156 P C -0.247 177.159 177.300 0.178 0.000 1.266 156 P CA -0.487 62.697 63.100 0.141 0.000 0.807 156 P CB 0.551 32.315 31.700 0.107 0.000 1.094 157 G N 0.341 109.228 108.800 0.146 0.000 2.391 157 G HA2 -0.057 3.905 3.960 0.003 0.000 0.234 157 G HA3 -0.057 3.905 3.960 0.003 0.000 0.234 157 G C 0.030 175.016 174.900 0.144 0.000 1.284 157 G CA -0.099 45.096 45.100 0.159 0.000 0.873 157 G HN 0.455 nan 8.290 nan 0.000 0.549 158 D N 1.088 121.587 120.400 0.165 0.000 2.380 158 D HA -0.053 4.589 4.640 0.003 0.000 0.270 158 D C 1.044 177.401 176.300 0.095 0.000 1.363 158 D CA 0.640 54.706 54.000 0.109 0.000 1.057 158 D CB -0.694 40.160 40.800 0.089 0.000 1.096 158 D HN 0.656 nan 8.370 nan 0.000 0.524 159 N N 2.322 121.073 118.700 0.085 0.000 2.525 159 N HA -0.181 4.561 4.740 0.003 0.000 0.283 159 N C -0.704 174.839 175.510 0.056 0.000 1.259 159 N CA 0.697 53.792 53.050 0.075 0.000 0.689 159 N CB -0.705 37.839 38.487 0.094 0.000 0.899 159 N HN 0.572 nan 8.380 nan 0.000 0.541 160 G N 0.660 109.486 108.800 0.042 0.000 2.050 160 G HA2 0.344 4.306 3.960 0.003 0.000 0.274 160 G HA3 0.344 4.306 3.960 0.003 0.000 0.274 160 G C -0.172 174.749 174.900 0.035 0.000 1.733 160 G CA -0.435 44.665 45.100 0.001 0.000 0.905 160 G HN 0.980 nan 8.290 nan 0.000 0.728 161 V N 0.039 119.972 119.914 0.031 0.000 3.032 161 V HA 0.478 4.599 4.120 0.003 0.000 0.307 161 V C 0.922 177.165 176.094 0.249 0.000 1.097 161 V CA -0.173 62.190 62.300 0.106 0.000 1.191 161 V CB 1.124 32.992 31.823 0.074 0.000 0.964 161 V HN 0.957 nan 8.190 nan 0.000 0.494 162 E N 1.410 121.714 120.200 0.172 0.000 2.392 162 E HA 0.321 4.673 4.350 0.003 0.000 0.256 162 E C -0.435 176.234 176.600 0.115 0.000 1.145 162 E CA -0.566 55.924 56.400 0.149 0.000 0.929 162 E CB 0.615 30.362 29.700 0.077 0.000 0.998 162 E HN 0.588 nan 8.360 nan 0.000 0.442 163 F N 1.130 120.951 119.950 -0.214 0.000 2.440 163 F HA 0.125 4.654 4.527 0.003 0.000 0.323 163 F C 1.072 176.717 175.800 -0.258 0.000 1.192 163 F CA 0.529 58.271 58.000 -0.430 0.000 1.252 163 F CB 0.963 39.614 39.000 -0.581 0.000 1.214 163 F HN 0.521 nan 8.300 nan 0.000 0.578 164 T N 0.228 114.427 114.554 -0.593 0.000 3.463 164 T HA 0.029 4.381 4.350 0.003 0.000 0.203 164 T C 0.463 175.020 174.700 -0.238 0.000 0.955 164 T CA -0.215 61.694 62.100 -0.319 0.000 1.230 164 T CB -0.201 68.497 68.868 -0.283 0.000 1.392 164 T HN 0.438 nan 8.240 nan 0.000 0.361 165 Q N 2.178 121.765 119.800 -0.354 0.000 2.516 165 Q HA 0.312 4.654 4.340 0.003 0.000 0.245 165 Q C -1.031 174.970 176.000 0.001 0.000 0.958 165 Q CA 0.210 55.945 55.803 -0.113 0.000 0.959 165 Q CB -0.319 28.421 28.738 0.004 0.000 1.403 165 Q HN 0.443 nan 8.270 nan 0.000 0.405 166 D N -0.519 119.920 120.400 0.064 0.000 2.954 166 D HA -0.037 4.604 4.640 0.003 0.000 0.260 166 D C -1.551 174.788 176.300 0.065 0.000 1.072 166 D CA -0.446 53.595 54.000 0.068 0.000 0.735 166 D CB 0.809 41.635 40.800 0.042 0.000 1.934 166 D HN 0.108 nan 8.370 nan 0.000 0.458 167 D N 1.515 121.910 120.400 -0.009 0.000 2.740 167 D HA 0.100 4.742 4.640 0.003 0.000 0.301 167 D C 0.246 176.504 176.300 -0.070 0.000 1.408 167 D CA -0.238 53.740 54.000 -0.037 0.000 0.808 167 D CB 0.372 41.164 40.800 -0.014 0.000 1.128 167 D HN 0.197 nan 8.370 nan 0.000 0.465 168 S N -0.487 115.156 115.700 -0.094 0.000 2.556 168 S HA 0.115 4.587 4.470 0.003 0.000 0.216 168 S C 0.990 175.494 174.600 -0.160 0.000 0.970 168 S CA -0.381 57.760 58.200 -0.098 0.000 0.912 168 S CB -0.150 63.010 63.200 -0.067 0.000 0.790 168 S HN 0.229 nan 8.310 nan 0.000 0.504 169 V N 1.365 121.124 119.914 -0.258 0.000 2.338 169 V HA 0.416 4.538 4.120 0.003 0.000 0.255 169 V C 0.806 176.727 176.094 -0.287 0.000 1.082 169 V CA -0.748 61.317 62.300 -0.392 0.000 0.951 169 V CB 0.163 31.471 31.823 -0.859 0.000 1.102 169 V HN 0.188 nan 8.190 nan 0.000 0.489 170 K N 2.833 123.114 120.400 -0.198 0.000 2.284 170 K HA 0.269 4.591 4.320 0.003 0.000 0.198 170 K C 0.389 176.934 176.600 -0.092 0.000 1.048 170 K CA 0.521 56.734 56.287 -0.124 0.000 0.987 170 K CB 0.496 32.933 32.500 -0.105 0.000 0.800 170 K HN 0.617 nan 8.250 nan 0.000 0.486 171 K N -0.100 120.217 120.400 -0.138 0.000 2.409 171 K HA 0.460 4.782 4.320 0.003 0.000 0.252 171 K C -1.280 175.257 176.600 -0.105 0.000 1.036 171 K CA -1.029 55.164 56.287 -0.157 0.000 0.871 171 K CB 2.315 34.650 32.500 -0.275 0.000 1.374 171 K HN -0.045 nan 8.250 nan 0.000 0.459 172 Y N -2.148 117.944 120.300 -0.346 0.000 2.638 172 Y HA 0.442 4.993 4.550 0.002 0.000 0.334 172 Y C -1.817 173.898 175.900 -0.308 0.000 1.182 172 Y CA -1.563 56.361 58.100 -0.294 0.000 1.102 172 Y CB 0.219 38.726 38.460 0.078 0.000 1.343 172 Y HN 0.360 nan 8.280 nan 0.000 0.463 173 F N 2.056 122.091 119.950 0.142 0.000 2.384 173 F HA 0.821 5.349 4.527 0.002 0.000 0.338 173 F C 0.552 176.597 175.800 0.407 0.000 1.103 173 F CA -0.391 57.669 58.000 0.099 0.000 1.157 173 F CB 1.502 40.448 39.000 -0.090 0.000 1.167 173 F HN 0.780 nan 8.300 nan 0.000 0.529 174 A N 1.696 124.802 122.820 0.476 0.000 2.350 174 A HA 0.749 5.070 4.320 0.003 0.000 0.324 174 A C -0.439 177.428 177.584 0.473 0.000 1.118 174 A CA -0.593 51.723 52.037 0.464 0.000 0.783 174 A CB 1.020 20.197 19.000 0.295 0.000 1.236 174 A HN 0.787 nan 8.150 nan 0.000 0.457 175 S N 1.155 117.027 115.700 0.286 0.000 2.681 175 S HA 0.772 5.243 4.470 0.003 0.000 0.299 175 S C 0.435 175.005 174.600 -0.051 0.000 1.113 175 S CA -0.143 58.037 58.200 -0.033 0.000 1.013 175 S CB 1.590 64.574 63.200 -0.360 0.000 1.076 175 S HN 0.846 nan 8.310 nan 0.000 0.534 176 S N -0.794 114.711 115.700 -0.325 0.000 2.414 176 S HA 0.468 4.939 4.470 0.003 0.000 0.267 176 S C 0.708 175.020 174.600 -0.481 0.000 1.165 176 S CA -0.397 57.474 58.200 -0.549 0.000 1.028 176 S CB -0.416 62.229 63.200 -0.925 0.000 1.154 176 S HN 0.766 nan 8.310 nan 0.000 0.472 177 F N -0.140 119.567 119.950 -0.405 0.000 2.765 177 F HA 0.565 5.093 4.527 0.003 0.000 0.302 177 F C 0.649 176.027 175.800 -0.703 0.000 1.111 177 F CA -0.382 57.272 58.000 -0.575 0.000 1.359 177 F CB -0.277 38.283 39.000 -0.733 0.000 1.097 177 F HN 0.229 nan 8.300 nan 0.000 0.577 178 E N -1.110 118.685 120.200 -0.674 0.000 2.404 178 E HA 0.270 4.622 4.350 0.003 0.000 0.264 178 E C -1.386 174.960 176.600 -0.424 0.000 0.946 178 E CA -1.233 54.894 56.400 -0.455 0.000 0.806 178 E CB 1.175 30.707 29.700 -0.280 0.000 1.334 178 E HN 0.162 nan 8.360 nan 0.000 0.429 179 W N 0.732 121.894 121.300 -0.230 0.000 2.257 179 W HA 0.112 4.773 4.660 0.002 0.000 0.337 179 W C -0.458 175.855 176.519 -0.344 0.000 1.321 179 W CA -0.198 57.003 57.345 -0.240 0.000 1.267 179 W CB 0.402 29.770 29.460 -0.154 0.000 1.187 179 W HN 0.204 nan 8.180 nan 0.000 0.565 180 C N 4.288 123.504 119.300 -0.141 0.000 2.364 180 C HA 0.591 5.052 4.460 0.003 0.000 0.324 180 C C -0.072 174.815 174.990 -0.172 0.000 1.234 180 C CA -1.200 57.490 59.018 -0.547 0.000 1.417 180 C CB 0.727 27.569 27.740 -1.496 0.000 2.101 180 C HN 0.615 nan 8.230 nan 0.000 0.466 181 R N 2.214 122.788 120.500 0.122 0.000 2.686 181 R HA 0.681 5.022 4.340 0.003 0.000 0.286 181 R C -0.761 175.786 176.300 0.411 0.000 0.969 181 R CA -0.606 55.667 56.100 0.288 0.000 0.898 181 R CB 2.261 32.608 30.300 0.079 0.000 1.183 181 R HN 0.852 nan 8.270 nan 0.000 0.456 182 K N 0.622 121.187 120.400 0.275 0.000 2.444 182 K HA 0.894 5.216 4.320 0.003 0.000 0.252 182 K C -1.473 175.336 176.600 0.349 0.000 0.993 182 K CA -1.043 55.312 56.287 0.113 0.000 0.847 182 K CB 2.393 34.621 32.500 -0.454 0.000 1.340 182 K HN 0.522 nan 8.250 nan 0.000 0.446 183 A N 0.685 123.794 122.820 0.482 0.000 2.594 183 A HA 0.588 4.909 4.320 0.003 0.000 0.291 183 A C -1.739 176.025 177.584 0.300 0.000 1.105 183 A CA -0.674 51.628 52.037 0.442 0.000 0.694 183 A CB 2.265 21.387 19.000 0.203 0.000 1.291 183 A HN 0.701 nan 8.150 nan 0.000 0.410 184 Q N -0.143 119.726 119.800 0.115 0.000 2.340 184 Q HA 0.621 4.963 4.340 0.003 0.000 0.276 184 Q C -1.932 174.033 176.000 -0.058 0.000 1.048 184 Q CA -0.531 55.191 55.803 -0.134 0.000 0.832 184 Q CB 2.684 31.139 28.738 -0.471 0.000 1.373 184 Q HN 0.675 nan 8.270 nan 0.000 0.409 185 V N 3.909 123.767 119.914 -0.093 0.000 2.459 185 V HA 0.535 4.656 4.120 0.003 0.000 0.295 185 V C -0.648 175.431 176.094 -0.026 0.000 1.029 185 V CA -0.775 61.487 62.300 -0.063 0.000 0.874 185 V CB 1.666 33.419 31.823 -0.116 0.000 0.985 185 V HN 0.645 nan 8.190 nan 0.000 0.438 186 I N 3.185 123.780 120.570 0.041 0.000 2.389 186 I HA 0.348 4.519 4.170 0.003 0.000 0.288 186 I C -0.072 176.139 176.117 0.156 0.000 0.999 186 I CA -0.480 60.839 61.300 0.032 0.000 1.129 186 I CB 1.567 39.522 38.000 -0.075 0.000 1.288 186 I HN 0.624 nan 8.210 nan 0.000 0.444 187 D N 6.867 127.344 120.400 0.128 0.000 2.352 187 D HA 0.177 4.819 4.640 0.003 0.000 0.245 187 D C 1.146 177.365 176.300 -0.135 0.000 1.224 187 D CA -0.127 53.863 54.000 -0.017 0.000 0.879 187 D CB 1.090 41.937 40.800 0.078 0.000 1.057 187 D HN 0.426 nan 8.370 nan 0.000 0.491 188 L N 2.949 124.015 121.223 -0.263 0.000 2.056 188 L HA -0.194 4.148 4.340 0.003 0.000 0.207 188 L C 2.501 179.362 176.870 -0.015 0.000 1.078 188 L CA 0.939 55.675 54.840 -0.175 0.000 0.749 188 L CB -0.236 41.650 42.059 -0.289 0.000 0.901 188 L HN 0.436 nan 8.230 nan 0.000 0.433 189 Q N -0.044 119.687 119.800 -0.115 0.000 2.030 189 Q HA -0.208 4.134 4.340 0.003 0.000 0.204 189 Q C 2.389 178.384 176.000 -0.008 0.000 0.986 189 Q CA 1.823 57.603 55.803 -0.038 0.000 0.843 189 Q CB -0.315 28.376 28.738 -0.080 0.000 0.904 189 Q HN 0.550 nan 8.270 nan 0.000 0.420 190 A N 0.790 123.589 122.820 -0.035 0.000 2.131 190 A HA -0.181 4.140 4.320 0.003 0.000 0.220 190 A C 1.620 179.207 177.584 0.005 0.000 1.158 190 A CA 1.234 53.265 52.037 -0.009 0.000 0.665 190 A CB -0.190 18.809 19.000 -0.002 0.000 0.795 190 A HN 0.216 nan 8.150 nan 0.000 0.460 191 E N -1.429 118.794 120.200 0.038 0.000 2.442 191 E HA 0.186 4.538 4.350 0.003 0.000 0.195 191 E C 1.043 177.656 176.600 0.022 0.000 1.030 191 E CA 0.747 57.191 56.400 0.073 0.000 0.869 191 E CB 0.008 29.812 29.700 0.173 0.000 0.857 191 E HN 0.816 nan 8.360 nan 0.000 0.505 192 G N 1.001 109.805 108.800 0.005 0.000 2.237 192 G HA2 -0.220 3.741 3.960 0.003 0.000 0.153 192 G HA3 -0.220 3.741 3.960 0.003 0.000 0.153 192 G C -0.684 174.061 174.900 -0.258 0.000 1.039 192 G CA -0.540 44.496 45.100 -0.107 0.000 0.719 192 G HN 0.134 nan 8.290 nan 0.000 0.491 193 Y N -0.085 120.179 120.300 -0.060 0.000 2.376 193 Y HA 0.537 5.090 4.550 0.005 0.000 0.326 193 Y C 0.663 176.424 175.900 -0.231 0.000 0.970 193 Y CA -1.432 56.514 58.100 -0.256 0.000 1.248 193 Y CB 0.484 38.765 38.460 -0.298 0.000 1.117 193 Y HN 0.449 nan 8.280 nan 0.000 0.476 194 W N 1.998 123.284 121.300 -0.024 0.000 2.215 194 W HA 0.485 5.146 4.660 0.002 0.000 0.342 194 W C 0.631 177.135 176.519 -0.024 0.000 1.237 194 W CA -0.819 56.496 57.345 -0.050 0.000 1.283 194 W CB 0.676 30.080 29.460 -0.093 0.000 1.131 194 W HN 0.563 nan 8.180 nan 0.000 0.606 195 E N 0.934 121.216 120.200 0.137 0.000 2.085 195 E HA -0.258 4.093 4.350 0.003 0.000 0.194 195 E C 1.535 178.178 176.600 0.071 0.000 0.994 195 E CA 2.061 58.489 56.400 0.047 0.000 0.801 195 E CB -0.116 29.622 29.700 0.062 0.000 0.743 195 E HN 0.666 nan 8.360 nan 0.000 0.453 196 E N 0.472 120.836 120.200 0.274 0.000 2.401 196 E HA -0.142 4.210 4.350 0.003 0.000 0.199 196 E C 1.754 178.468 176.600 0.190 0.000 1.023 196 E CA 0.484 57.041 56.400 0.261 0.000 0.859 196 E CB 0.067 29.960 29.700 0.322 0.000 0.780 196 E HN 0.184 nan 8.360 nan 0.000 0.523 197 L N -1.050 120.131 121.223 -0.069 0.000 2.388 197 L HA 0.150 4.492 4.340 0.003 0.000 0.209 197 L C 1.559 178.294 176.870 -0.224 0.000 1.061 197 L CA 0.853 55.539 54.840 -0.257 0.000 0.834 197 L CB 0.053 41.495 42.059 -1.028 0.000 1.029 197 L HN 0.042 nan 8.230 nan 0.000 0.473 198 L N 0.134 121.209 121.223 -0.246 0.000 2.046 198 L HA -0.135 4.207 4.340 0.003 0.000 0.208 198 L C 1.780 178.656 176.870 0.010 0.000 1.077 198 L CA 1.325 56.114 54.840 -0.085 0.000 0.747 198 L CB -0.734 41.265 42.059 -0.100 0.000 0.896 198 L HN 0.303 nan 8.230 nan 0.000 0.432 199 D N -1.613 118.783 120.400 -0.006 0.000 2.271 199 D HA -0.071 4.571 4.640 0.003 0.000 0.206 199 D C 2.149 178.445 176.300 -0.006 0.000 0.967 199 D CA 0.910 54.918 54.000 0.013 0.000 0.867 199 D CB 0.114 40.929 40.800 0.025 0.000 0.960 199 D HN 0.103 nan 8.370 nan 0.000 0.509 200 T N -0.527 114.028 114.554 0.001 0.000 2.925 200 T HA -0.007 4.345 4.350 0.003 0.000 0.245 200 T C 1.869 176.552 174.700 -0.029 0.000 1.025 200 T CA 1.178 63.280 62.100 0.004 0.000 1.149 200 T CB -0.061 68.838 68.868 0.051 0.000 0.866 200 T HN 0.051 nan 8.240 nan 0.000 0.437 201 T N 1.848 116.383 114.554 -0.033 0.000 2.937 201 T HA 0.002 4.354 4.350 0.003 0.000 0.260 201 T C 0.325 174.963 174.700 -0.104 0.000 1.051 201 T CA 0.347 62.420 62.100 -0.045 0.000 1.141 201 T CB -0.122 68.731 68.868 -0.026 0.000 0.879 201 T HN 0.481 nan 8.240 nan 0.000 0.459 202 Q N 0.462 120.186 119.800 -0.126 0.000 2.453 202 Q HA -0.121 4.220 4.340 0.003 0.000 0.330 202 Q C -2.566 173.383 176.000 -0.084 0.000 1.417 202 Q CA 0.063 55.703 55.803 -0.272 0.000 0.902 202 Q CB -1.930 26.296 28.738 -0.853 0.000 1.154 202 Q HN 0.410 nan 8.270 nan 0.000 0.395 203 P HA 0.214 nan 4.420 nan 0.000 0.272 203 P C -0.333 177.080 177.300 0.189 0.000 1.240 203 P CA 0.050 63.196 63.100 0.077 0.000 0.791 203 P CB 0.589 32.321 31.700 0.052 0.000 0.978 204 A N 2.455 125.363 122.820 0.146 0.000 2.404 204 A HA 0.345 4.667 4.320 0.003 0.000 0.273 204 A C 0.471 178.154 177.584 0.165 0.000 1.144 204 A CA -0.404 51.746 52.037 0.188 0.000 0.806 204 A CB -0.965 18.101 19.000 0.109 0.000 1.080 204 A HN 0.418 nan 8.150 nan 0.000 0.509 205 I N 2.741 123.430 120.570 0.197 0.000 2.396 205 I HA 0.360 4.532 4.170 0.003 0.000 0.292 205 I C -0.468 175.789 176.117 0.235 0.000 0.999 205 I CA -0.392 60.974 61.300 0.110 0.000 1.310 205 I CB 1.588 39.534 38.000 -0.090 0.000 1.404 205 I HN 0.277 nan 8.210 nan 0.000 0.496 206 V N 6.935 126.982 119.914 0.222 0.000 2.482 206 V HA 0.342 4.463 4.120 0.003 0.000 0.295 206 V C -0.286 175.976 176.094 0.280 0.000 1.026 206 V CA -0.645 61.785 62.300 0.217 0.000 0.856 206 V CB 1.989 33.896 31.823 0.141 0.000 1.001 206 V HN 0.410 nan 8.190 nan 0.000 0.424 207 V N 4.988 125.040 119.914 0.229 0.000 2.398 207 V HA 0.599 4.720 4.120 0.003 0.000 0.286 207 V C -0.186 176.022 176.094 0.191 0.000 1.026 207 V CA -0.849 61.602 62.300 0.252 0.000 0.868 207 V CB 1.591 33.539 31.823 0.208 0.000 0.982 207 V HN 0.857 nan 8.190 nan 0.000 0.443 208 K N 2.747 123.321 120.400 0.291 0.000 2.375 208 K HA 0.759 5.080 4.320 0.003 0.000 0.249 208 K C -1.466 175.325 176.600 0.320 0.000 0.942 208 K CA -0.771 55.641 56.287 0.209 0.000 0.806 208 K CB 2.344 34.971 32.500 0.211 0.000 1.227 208 K HN 0.695 nan 8.250 nan 0.000 0.430 209 D N 1.021 121.562 120.400 0.235 0.000 2.927 209 D HA 0.364 5.005 4.640 0.003 0.000 0.219 209 D C -1.692 174.780 176.300 0.287 0.000 1.248 209 D CA -0.477 53.768 54.000 0.408 0.000 0.861 209 D CB 0.887 42.066 40.800 0.631 0.000 1.677 209 D HN 0.270 nan 8.370 nan 0.000 0.511 210 W N 3.336 124.943 121.300 0.510 0.000 2.570 210 W HA 0.629 5.291 4.660 0.002 0.000 0.337 210 W C -0.410 176.595 176.519 0.810 0.000 1.067 210 W CA -0.598 57.107 57.345 0.600 0.000 1.229 210 W CB 1.014 30.812 29.460 0.564 0.000 1.355 210 W HN 0.290 nan 8.180 nan 0.000 0.555 211 Y N -0.113 120.653 120.300 0.777 0.000 2.604 211 Y HA 0.759 5.310 4.550 0.002 0.000 0.331 211 Y C -0.605 175.319 175.900 0.041 0.000 1.158 211 Y CA -1.272 57.104 58.100 0.460 0.000 1.056 211 Y CB 1.408 39.877 38.460 0.015 0.000 1.330 211 Y HN 0.478 nan 8.280 nan 0.000 0.457 212 S N 1.166 116.585 115.700 -0.468 0.000 2.643 212 S HA 0.871 5.343 4.470 0.003 0.000 0.270 212 S C -0.661 173.659 174.600 -0.466 0.000 1.166 212 S CA -0.422 57.286 58.200 -0.820 0.000 0.815 212 S CB 1.220 63.349 63.200 -1.784 0.000 1.139 212 S HN 1.596 nan 8.310 nan 0.000 0.472 213 G N -0.095 108.473 108.800 -0.387 0.000 2.557 213 G HA2 0.661 4.623 3.960 0.003 0.000 0.302 213 G HA3 0.661 4.623 3.960 0.003 0.000 0.302 213 G C -0.795 173.993 174.900 -0.187 0.000 1.311 213 G CA -1.014 43.969 45.100 -0.195 0.000 1.030 213 G HN 0.825 nan 8.290 nan 0.000 0.509 214 R N -1.760 118.695 120.500 -0.074 0.000 2.536 214 R HA 0.418 4.759 4.340 0.003 0.000 0.279 214 R C 1.654 177.940 176.300 -0.023 0.000 1.001 214 R CA 0.001 56.086 56.100 -0.025 0.000 1.027 214 R CB 1.114 31.451 30.300 0.062 0.000 1.096 214 R HN 0.559 nan 8.270 nan 0.000 0.502 215 T N -0.707 113.845 114.554 -0.003 0.000 2.857 215 T HA -0.141 4.211 4.350 0.003 0.000 0.266 215 T C 1.047 175.766 174.700 0.032 0.000 1.048 215 T CA 1.270 63.372 62.100 0.002 0.000 1.139 215 T CB -0.153 68.722 68.868 0.012 0.000 0.874 215 T HN 0.734 nan 8.240 nan 0.000 0.455 216 D N 1.966 122.414 120.400 0.080 0.000 2.347 216 D HA 0.223 4.865 4.640 0.003 0.000 0.215 216 D C 0.610 176.953 176.300 0.072 0.000 0.976 216 D CA 0.264 54.338 54.000 0.123 0.000 0.884 216 D CB 0.072 41.006 40.800 0.224 0.000 0.915 216 D HN 0.529 nan 8.370 nan 0.000 0.526 217 A N 0.156 122.976 122.820 0.001 0.000 2.540 217 A HA 0.565 4.887 4.320 0.003 0.000 0.297 217 A C 0.067 177.568 177.584 -0.138 0.000 1.056 217 A CA -0.371 51.567 52.037 -0.165 0.000 0.700 217 A CB 1.414 20.177 19.000 -0.394 0.000 1.280 217 A HN 0.107 nan 8.150 nan 0.000 0.398 218 G N 1.101 109.800 108.800 -0.169 0.000 2.340 218 G HA2 0.481 4.443 3.960 0.003 0.000 0.245 218 G HA3 0.481 4.443 3.960 0.003 0.000 0.245 218 G C 0.058 174.885 174.900 -0.121 0.000 1.294 218 G CA 0.618 45.647 45.100 -0.118 0.000 0.896 218 G HN 0.838 nan 8.290 nan 0.000 0.522 219 S N -0.049 115.610 115.700 -0.068 0.000 2.704 219 S HA 0.785 5.256 4.470 0.003 0.000 0.296 219 S C -0.889 173.703 174.600 -0.012 0.000 1.138 219 S CA -0.482 57.686 58.200 -0.053 0.000 0.875 219 S CB 1.595 64.791 63.200 -0.006 0.000 1.151 219 S HN 0.483 nan 8.310 nan 0.000 0.500 220 L N 1.618 122.828 121.223 -0.021 0.000 2.493 220 L HA 0.506 4.848 4.340 0.003 0.000 0.265 220 L C -1.387 175.579 176.870 0.160 0.000 0.954 220 L CA -0.404 54.457 54.840 0.036 0.000 0.844 220 L CB 1.601 43.598 42.059 -0.103 0.000 1.302 220 L HN 0.713 nan 8.230 nan 0.000 0.405 221 Y N 2.856 123.241 120.300 0.141 0.000 2.487 221 Y HA 0.759 5.311 4.550 0.002 0.000 0.337 221 Y C -0.612 175.373 175.900 0.142 0.000 1.076 221 Y CA -0.343 57.828 58.100 0.118 0.000 1.115 221 Y CB 1.684 40.057 38.460 -0.145 0.000 1.235 221 Y HN 0.659 nan 8.280 nan 0.000 0.468 222 E N 5.745 125.546 120.200 -0.665 0.000 2.352 222 E HA 0.433 4.785 4.350 0.003 0.000 0.280 222 E C -2.655 173.511 176.600 -0.725 0.000 0.930 222 E CA -0.715 55.385 56.400 -0.500 0.000 0.765 222 E CB 2.257 31.809 29.700 -0.246 0.000 1.219 222 E HN 0.689 nan 8.360 nan 0.000 0.434 223 L N 1.751 122.752 121.223 -0.370 0.000 2.376 223 L HA 0.731 5.072 4.340 0.003 0.000 0.258 223 L C -1.573 175.235 176.870 -0.103 0.000 1.013 223 L CA -0.076 54.660 54.840 -0.173 0.000 0.822 223 L CB 2.452 44.567 42.059 0.093 0.000 1.388 223 L HN 0.672 nan 8.230 nan 0.000 0.413 224 T N 2.090 116.578 114.554 -0.110 0.000 4.096 224 T HA 0.440 4.792 4.350 0.003 0.000 0.336 224 T C -1.171 173.462 174.700 -0.111 0.000 0.820 224 T CA -0.470 61.579 62.100 -0.085 0.000 0.986 224 T CB 0.617 69.411 68.868 -0.123 0.000 1.077 224 T HN 0.353 nan 8.240 nan 0.000 0.466 225 V N 3.662 123.577 119.914 0.001 0.000 2.630 225 V HA 0.734 4.855 4.120 0.003 0.000 0.305 225 V C -0.053 176.035 176.094 -0.011 0.000 1.046 225 V CA -0.907 61.361 62.300 -0.054 0.000 0.934 225 V CB 2.015 33.845 31.823 0.013 0.000 1.003 225 V HN 0.759 nan 8.190 nan 0.000 0.451 226 R N 3.829 124.266 120.500 -0.106 0.000 2.771 226 R HA 0.745 5.087 4.340 0.003 0.000 0.274 226 R C -1.701 174.449 176.300 -0.251 0.000 0.987 226 R CA -0.894 55.126 56.100 -0.134 0.000 0.908 226 R CB 2.002 32.254 30.300 -0.080 0.000 1.213 226 R HN 0.483 nan 8.270 nan 0.000 0.468 227 L N 2.643 123.689 121.223 -0.295 0.000 2.309 227 L HA 0.591 4.933 4.340 0.003 0.000 0.282 227 L C -0.886 175.901 176.870 -0.138 0.000 1.036 227 L CA -0.939 53.716 54.840 -0.308 0.000 0.806 227 L CB 1.091 42.875 42.059 -0.458 0.000 1.220 227 L HN 0.313 nan 8.230 nan 0.000 0.429 228 L N 1.875 123.057 121.223 -0.069 0.000 2.436 228 L HA 0.371 4.712 4.340 0.003 0.000 0.268 228 L C 0.120 177.034 176.870 0.073 0.000 0.974 228 L CA -0.287 54.563 54.840 0.016 0.000 0.826 228 L CB 2.211 44.296 42.059 0.044 0.000 1.291 228 L HN 0.632 nan 8.230 nan 0.000 0.406 229 S N 1.199 116.931 115.700 0.054 0.000 2.537 229 S HA 0.125 4.597 4.470 0.003 0.000 0.286 229 S C 1.170 175.853 174.600 0.138 0.000 1.299 229 S CA 0.109 58.350 58.200 0.068 0.000 1.067 229 S CB 0.808 64.034 63.200 0.043 0.000 0.864 229 S HN 0.761 nan 8.310 nan 0.000 0.494 230 E N 4.603 124.900 120.200 0.161 0.000 2.884 230 E HA -0.378 3.973 4.350 0.003 0.000 0.222 230 E C -0.071 176.631 176.600 0.170 0.000 0.949 230 E CA 2.982 59.497 56.400 0.191 0.000 1.651 230 E CB -1.263 28.490 29.700 0.088 0.000 1.584 230 E HN 0.969 nan 8.360 nan 0.000 0.443 231 N N 1.150 119.899 118.700 0.082 0.000 3.324 231 N HA 0.283 5.025 4.740 0.003 0.000 0.302 231 N C -1.244 174.268 175.510 0.003 0.000 1.360 231 N CA 0.379 53.450 53.050 0.034 0.000 1.190 231 N CB 0.571 39.072 38.487 0.023 0.000 1.462 231 N HN 0.179 nan 8.380 nan 0.000 0.532 232 E N 0.780 120.970 120.200 -0.016 0.000 2.173 232 E HA -0.235 4.116 4.350 0.003 0.000 0.160 232 E C -1.160 175.427 176.600 -0.023 0.000 1.581 232 E CA 0.812 57.182 56.400 -0.050 0.000 0.618 232 E CB -0.751 28.892 29.700 -0.095 0.000 1.049 232 E HN 0.438 nan 8.360 nan 0.000 0.311 233 D N 0.296 120.697 120.400 0.002 0.000 2.308 233 D HA 0.214 4.855 4.640 0.003 0.000 0.242 233 D C -0.232 176.066 176.300 -0.004 0.000 1.059 233 D CA -0.661 53.339 54.000 -0.000 0.000 0.830 233 D CB 1.582 42.388 40.800 0.011 0.000 1.161 233 D HN -0.016 nan 8.370 nan 0.000 0.494 234 V N 3.906 123.813 119.914 -0.010 0.000 2.390 234 V HA 0.025 4.146 4.120 0.003 0.000 0.260 234 V C 1.710 177.807 176.094 0.004 0.000 1.043 234 V CA 0.118 62.411 62.300 -0.012 0.000 1.047 234 V CB 0.050 31.863 31.823 -0.017 0.000 1.066 234 V HN 0.498 nan 8.190 nan 0.000 0.481 235 L N 3.312 124.536 121.223 0.002 0.000 2.307 235 L HA 0.434 4.775 4.340 0.003 0.000 0.211 235 L C 0.998 177.902 176.870 0.056 0.000 1.099 235 L CA 0.920 55.774 54.840 0.024 0.000 0.816 235 L CB 0.228 42.293 42.059 0.009 0.000 0.952 235 L HN 0.780 nan 8.230 nan 0.000 0.455 236 A N -0.400 122.448 122.820 0.046 0.000 2.594 236 A HA 0.577 4.899 4.320 0.003 0.000 0.296 236 A C -1.166 176.499 177.584 0.135 0.000 1.061 236 A CA -0.590 51.529 52.037 0.137 0.000 0.689 236 A CB 1.524 20.685 19.000 0.269 0.000 1.280 236 A HN 0.013 nan 8.150 nan 0.000 0.406 237 E N 0.131 120.432 120.200 0.169 0.000 2.256 237 E HA 0.604 4.955 4.350 0.003 0.000 0.267 237 E C -1.933 174.780 176.600 0.188 0.000 0.892 237 E CA -0.493 55.989 56.400 0.138 0.000 0.775 237 E CB 2.601 32.314 29.700 0.021 0.000 1.207 237 E HN 0.541 nan 8.360 nan 0.000 0.420 238 F N 1.667 121.617 119.950 0.001 0.000 2.518 238 F HA 0.641 5.170 4.527 0.003 0.000 0.323 238 F C -1.271 174.450 175.800 -0.132 0.000 1.129 238 F CA -0.423 57.456 58.000 -0.202 0.000 0.920 238 F CB 1.220 39.996 39.000 -0.374 0.000 1.160 238 F HN 0.479 nan 8.300 nan 0.000 0.440 239 A N 3.138 125.583 122.820 -0.625 0.000 2.413 239 A HA 0.539 4.861 4.320 0.003 0.000 0.307 239 A C 0.299 177.478 177.584 -0.675 0.000 1.087 239 A CA 0.018 51.786 52.037 -0.449 0.000 0.750 239 A CB 1.318 20.150 19.000 -0.280 0.000 1.296 239 A HN 0.919 nan 8.150 nan 0.000 0.423 240 T N -1.393 112.924 114.554 -0.395 0.000 3.037 240 T HA 0.487 4.838 4.350 0.003 0.000 0.252 240 T C 1.186 175.787 174.700 -0.165 0.000 1.073 240 T CA 1.255 63.183 62.100 -0.287 0.000 1.091 240 T CB -0.488 68.355 68.868 -0.042 0.000 0.935 240 T HN 2.688 nan 8.240 nan 0.000 0.488 241 G N 1.239 109.946 108.800 -0.154 0.000 2.681 241 G HA2 -0.151 3.811 3.960 0.003 0.000 0.220 241 G HA3 -0.151 3.811 3.960 0.003 0.000 0.220 241 G C -0.986 173.898 174.900 -0.028 0.000 1.353 241 G CA -0.622 44.424 45.100 -0.089 0.000 0.872 241 G HN 0.728 nan 8.290 nan 0.000 0.557 242 Q N -0.718 119.112 119.800 0.050 0.000 2.293 242 Q HA 0.531 4.873 4.340 0.003 0.000 0.251 242 Q C 0.497 176.586 176.000 0.148 0.000 0.930 242 Q CA -0.089 55.815 55.803 0.169 0.000 0.893 242 Q CB 1.962 30.857 28.738 0.260 0.000 1.215 242 Q HN 1.452 nan 8.270 nan 0.000 0.425 243 V N -1.501 118.531 119.914 0.198 0.000 2.823 243 V HA 0.841 4.963 4.120 0.003 0.000 0.312 243 V C -0.446 175.769 176.094 0.201 0.000 1.072 243 V CA -1.273 61.142 62.300 0.192 0.000 0.937 243 V CB 1.639 33.594 31.823 0.220 0.000 1.013 243 V HN 0.826 nan 8.190 nan 0.000 0.430 244 A N 4.004 126.912 122.820 0.146 0.000 2.473 244 A HA 0.528 4.850 4.320 0.003 0.000 0.282 244 A C 0.270 177.939 177.584 0.142 0.000 1.163 244 A CA -0.136 51.967 52.037 0.111 0.000 0.827 244 A CB -0.700 18.341 19.000 0.067 0.000 1.098 244 A HN 1.441 nan 8.150 nan 0.000 0.515 245 V N 5.887 125.897 119.914 0.160 0.000 2.540 245 V HA 0.082 4.204 4.120 0.003 0.000 0.297 245 V C -1.673 174.425 176.094 0.006 0.000 1.024 245 V CA -1.089 61.288 62.300 0.128 0.000 1.105 245 V CB -0.116 31.783 31.823 0.126 0.000 0.938 245 V HN 0.828 nan 8.190 nan 0.000 0.482 246 P HA -0.072 nan 4.420 nan 0.000 0.253 246 P C 1.164 178.421 177.300 -0.072 0.000 1.159 246 P CA 0.358 63.418 63.100 -0.067 0.000 0.779 246 P CB 0.364 31.997 31.700 -0.111 0.000 0.745 247 E N 4.457 124.631 120.200 -0.044 0.000 2.330 247 E HA -0.344 4.008 4.350 0.003 0.000 0.239 247 E C 0.752 177.324 176.600 -0.047 0.000 1.097 247 E CA 2.485 58.861 56.400 -0.039 0.000 1.031 247 E CB -1.338 28.347 29.700 -0.025 0.000 0.885 247 E HN 0.625 nan 8.360 nan 0.000 0.479 248 D N 0.496 120.864 120.400 -0.053 0.000 2.336 248 D HA 0.078 4.719 4.640 0.003 0.000 0.229 248 D C 1.064 177.312 176.300 -0.086 0.000 1.061 248 D CA 0.690 54.658 54.000 -0.053 0.000 0.875 248 D CB -0.361 40.415 40.800 -0.040 0.000 0.904 248 D HN 0.492 nan 8.370 nan 0.000 0.525 249 G N 0.993 109.713 108.800 -0.134 0.000 2.338 249 G HA2 -0.280 3.682 3.960 0.003 0.000 0.296 249 G HA3 -0.280 3.682 3.960 0.003 0.000 0.296 249 G C 0.197 174.922 174.900 -0.292 0.000 1.040 249 G CA 0.455 45.417 45.100 -0.229 0.000 1.004 249 G HN 0.444 nan 8.290 nan 0.000 0.509 250 S N -1.239 114.318 115.700 -0.239 0.000 2.624 250 S HA 0.525 4.996 4.470 0.003 0.000 0.263 250 S C 0.088 174.494 174.600 -0.323 0.000 1.287 250 S CA -0.313 57.774 58.200 -0.188 0.000 0.990 250 S CB 0.832 63.975 63.200 -0.095 0.000 0.950 250 S HN 0.402 nan 8.310 nan 0.000 0.561 251 W N 1.384 122.630 121.300 -0.090 0.000 2.342 251 W HA 0.454 5.116 4.660 0.004 0.000 0.310 251 W C 0.099 176.624 176.519 0.011 0.000 1.128 251 W CA -0.407 56.915 57.345 -0.038 0.000 1.322 251 W CB 0.605 30.010 29.460 -0.092 0.000 1.251 251 W HN 0.265 nan 8.180 nan 0.000 0.439 252 M N 3.443 123.032 119.600 -0.019 0.000 2.318 252 M HA 0.227 4.709 4.480 0.003 0.000 0.347 252 M C -0.458 175.802 176.300 -0.067 0.000 1.175 252 M CA -0.903 54.281 55.300 -0.193 0.000 1.075 252 M CB 1.451 33.674 32.600 -0.629 0.000 1.614 252 M HN 0.402 nan 8.290 nan 0.000 0.456 253 E N 3.925 123.985 120.200 -0.234 0.000 2.235 253 E HA 0.311 4.662 4.350 0.003 0.000 0.252 253 E C -1.784 174.639 176.600 -0.294 0.000 0.886 253 E CA -0.567 55.462 56.400 -0.617 0.000 0.767 253 E CB 1.527 30.105 29.700 -1.871 0.000 1.205 253 E HN 0.588 nan 8.360 nan 0.000 0.421 254 I N 3.541 124.066 120.570 -0.075 0.000 2.353 254 I HA 0.272 4.443 4.170 0.003 0.000 0.293 254 I C -0.611 175.495 176.117 -0.019 0.000 0.992 254 I CA -0.038 61.279 61.300 0.028 0.000 1.268 254 I CB 1.456 39.547 38.000 0.152 0.000 1.387 254 I HN 0.372 nan 8.210 nan 0.000 0.478 255 S N 6.125 121.793 115.700 -0.054 0.000 2.566 255 S HA 0.670 5.142 4.470 0.003 0.000 0.298 255 S C -1.115 173.348 174.600 -0.228 0.000 1.083 255 S CA -0.358 57.780 58.200 -0.103 0.000 0.978 255 S CB 0.936 64.075 63.200 -0.102 0.000 1.073 255 S HN 0.779 nan 8.310 nan 0.000 0.491 256 H N 0.376 119.182 119.070 -0.439 0.000 2.821 256 H HA 0.661 5.218 4.556 0.003 0.000 0.373 256 H C -1.129 174.013 175.328 -0.310 0.000 1.165 256 H CA -0.219 55.470 56.048 -0.597 0.000 1.154 256 H CB 2.251 31.241 29.762 -1.286 0.000 1.765 256 H HN 0.680 nan 8.280 nan 0.000 0.549 257 T N 4.185 118.220 114.554 -0.866 0.000 2.812 257 T HA 0.358 4.710 4.350 0.003 0.000 0.282 257 T C -1.023 173.391 174.700 -0.477 0.000 0.990 257 T CA -0.501 61.345 62.100 -0.423 0.000 0.960 257 T CB 0.176 68.880 68.868 -0.272 0.000 0.948 257 T HN 0.269 nan 8.240 nan 0.000 0.438 258 F N 4.605 124.566 119.950 0.018 0.000 2.421 258 F HA 0.696 5.224 4.527 0.003 0.000 0.337 258 F C 0.384 176.356 175.800 0.287 0.000 1.105 258 F CA -1.023 57.082 58.000 0.175 0.000 1.049 258 F CB 1.211 40.283 39.000 0.120 0.000 1.139 258 F HN 0.383 nan 8.300 nan 0.000 0.479 259 I N -1.092 119.764 120.570 0.476 0.000 3.279 259 I HA 0.392 4.563 4.170 0.003 0.000 0.315 259 I C -0.548 175.595 176.117 0.043 0.000 1.225 259 I CA -1.489 59.931 61.300 0.201 0.000 0.947 259 I CB 1.319 39.352 38.000 0.055 0.000 1.293 259 I HN 0.571 nan 8.210 nan 0.000 0.468 260 D N 2.645 122.933 120.400 -0.187 0.000 2.861 260 D HA -0.270 4.372 4.640 0.003 0.000 0.216 260 D C 0.790 177.012 176.300 -0.129 0.000 1.220 260 D CA 1.523 55.398 54.000 -0.209 0.000 0.602 260 D CB -1.456 39.297 40.800 -0.078 0.000 1.007 260 D HN 0.754 nan 8.370 nan 0.000 0.400 261 Y N -0.990 119.350 120.300 0.066 0.000 2.475 261 Y HA 0.338 4.890 4.550 0.002 0.000 0.289 261 Y C 1.657 177.585 175.900 0.046 0.000 1.121 261 Y CA -0.077 58.074 58.100 0.084 0.000 1.257 261 Y CB 0.019 38.547 38.460 0.113 0.000 1.026 261 Y HN 0.295 nan 8.280 nan 0.000 0.555 262 G N 0.409 109.236 108.800 0.045 0.000 2.541 262 G HA2 0.042 4.004 3.960 0.003 0.000 0.686 262 G HA3 0.042 4.004 3.960 0.003 0.000 0.686 262 G C -3.429 171.554 174.900 0.139 0.000 1.286 262 G CA -1.007 44.139 45.100 0.076 0.000 0.894 262 G HN 0.117 nan 8.290 nan 0.000 0.575 263 P HA 0.596 nan 4.420 nan 0.000 0.301 263 P C 0.623 177.959 177.300 0.060 0.000 1.338 263 P CA 0.672 63.811 63.100 0.065 0.000 0.834 263 P CB 1.368 33.087 31.700 0.031 0.000 0.967 264 G N 1.515 110.346 108.800 0.050 0.000 2.613 264 G HA2 -0.125 3.836 3.960 0.003 0.000 0.199 264 G HA3 -0.125 3.836 3.960 0.003 0.000 0.199 264 G C -0.217 174.680 174.900 -0.005 0.000 0.991 264 G CA -0.393 44.720 45.100 0.022 0.000 0.756 264 G HN 0.440 nan 8.290 nan 0.000 0.515 265 V N 1.924 121.832 119.914 -0.010 0.000 2.720 265 V HA 0.265 4.386 4.120 0.003 0.000 0.307 265 V C 1.380 177.384 176.094 -0.151 0.000 1.071 265 V CA 0.643 62.887 62.300 -0.094 0.000 1.199 265 V CB 1.015 32.718 31.823 -0.200 0.000 0.900 265 V HN 0.392 nan 8.190 nan 0.000 0.494 266 R N 2.323 122.706 120.500 -0.196 0.000 2.555 266 R HA 0.347 4.688 4.340 0.003 0.000 0.312 266 R C -0.822 175.031 176.300 -0.744 0.000 0.938 266 R CA 0.150 55.973 56.100 -0.461 0.000 1.112 266 R CB 0.775 30.749 30.300 -0.543 0.000 1.535 266 R HN 0.594 nan 8.270 nan 0.000 0.525 267 F N -0.554 119.306 119.950 -0.149 0.000 2.641 267 F HA 0.463 4.992 4.527 0.003 0.000 0.308 267 F C -0.466 175.215 175.800 -0.198 0.000 1.105 267 F CA -1.056 56.854 58.000 -0.151 0.000 0.964 267 F CB 2.077 41.009 39.000 -0.114 0.000 1.294 267 F HN -0.453 nan 8.300 nan 0.000 0.442 268 V N 2.804 122.735 119.914 0.029 0.000 2.588 268 V HA 0.565 4.686 4.120 0.003 0.000 0.304 268 V C -0.666 175.400 176.094 -0.046 0.000 1.042 268 V CA -0.865 61.376 62.300 -0.099 0.000 0.877 268 V CB 2.156 33.879 31.823 -0.167 0.000 0.996 268 V HN 0.681 nan 8.190 nan 0.000 0.425 269 R N 3.752 124.211 120.500 -0.068 0.000 2.343 269 R HA 0.467 4.809 4.340 0.003 0.000 0.320 269 R C -1.611 174.691 176.300 0.003 0.000 0.956 269 R CA -0.482 55.601 56.100 -0.029 0.000 0.836 269 R CB 1.158 31.426 30.300 -0.053 0.000 1.151 269 R HN 0.621 nan 8.270 nan 0.000 0.450 270 F N 3.144 123.059 119.950 -0.060 0.000 2.408 270 F HA 0.308 4.837 4.527 0.003 0.000 0.344 270 F C -0.311 175.528 175.800 0.066 0.000 1.112 270 F CA -0.006 57.988 58.000 -0.010 0.000 1.096 270 F CB 1.064 40.033 39.000 -0.050 0.000 1.129 270 F HN 0.515 nan 8.300 nan 0.000 0.486 271 E N 6.140 126.272 120.200 -0.114 0.000 2.343 271 E HA 0.230 4.582 4.350 0.003 0.000 0.288 271 E C -1.827 174.810 176.600 0.063 0.000 0.907 271 E CA -0.566 55.925 56.400 0.152 0.000 0.792 271 E CB 1.297 31.023 29.700 0.044 0.000 1.275 271 E HN 0.959 nan 8.360 nan 0.000 0.402 272 H N 1.249 120.388 119.070 0.114 0.000 2.941 272 H HA 0.942 5.500 4.556 0.003 0.000 0.344 272 H C -0.274 175.093 175.328 0.065 0.000 1.235 272 H CA -1.077 54.961 56.048 -0.017 0.000 1.149 272 H CB 2.381 32.216 29.762 0.122 0.000 1.885 272 H HN 0.565 nan 8.280 nan 0.000 0.558 273 G N -1.469 107.275 108.800 -0.093 0.000 2.548 273 G HA2 0.576 4.537 3.960 0.003 0.000 0.301 273 G HA3 0.576 4.537 3.960 0.003 0.000 0.301 273 G C -1.185 173.825 174.900 0.184 0.000 1.349 273 G CA -0.495 44.658 45.100 0.089 0.000 0.792 273 G HN 1.072 nan 8.290 nan 0.000 0.481 274 G N -1.395 107.530 108.800 0.208 0.000 2.368 274 G HA2 0.766 4.728 3.960 0.003 0.000 0.293 274 G HA3 0.766 4.728 3.960 0.003 0.000 0.293 274 G C -1.177 173.569 174.900 -0.258 0.000 1.467 274 G CA 0.528 45.669 45.100 0.067 0.000 0.804 274 G HN 1.476 nan 8.290 nan 0.000 0.535 275 Q N -1.214 118.354 119.800 -0.387 0.000 2.869 275 Q HA 0.572 4.913 4.340 0.003 0.000 0.322 275 Q C -1.953 173.853 176.000 -0.324 0.000 0.832 275 Q CA -1.012 54.527 55.803 -0.439 0.000 0.791 275 Q CB 1.067 29.382 28.738 -0.706 0.000 1.412 275 Q HN 0.621 nan 8.270 nan 0.000 0.483 276 D N -0.082 120.149 120.400 -0.282 0.000 2.229 276 D HA 0.293 4.934 4.640 0.003 0.000 0.249 276 D C 0.544 176.704 176.300 -0.233 0.000 1.027 276 D CA -0.202 53.666 54.000 -0.221 0.000 0.923 276 D CB 1.665 42.353 40.800 -0.187 0.000 1.174 276 D HN 0.639 nan 8.370 nan 0.000 0.443 277 S N 0.400 115.981 115.700 -0.199 0.000 2.461 277 S HA -0.110 4.361 4.470 0.003 0.000 0.228 277 S C 1.753 176.273 174.600 -0.133 0.000 1.005 277 S CA 0.792 58.905 58.200 -0.145 0.000 0.942 277 S CB -0.823 62.308 63.200 -0.116 0.000 0.776 277 S HN 0.522 nan 8.310 nan 0.000 0.514 278 V N -3.768 115.986 119.914 -0.267 0.000 2.379 278 V HA 0.289 4.410 4.120 0.003 0.000 0.243 278 V C 0.867 176.892 176.094 -0.115 0.000 1.035 278 V CA 0.584 62.672 62.300 -0.353 0.000 1.035 278 V CB -1.723 29.531 31.823 -0.948 0.000 0.673 278 V HN 0.531 nan 8.190 nan 0.000 0.457 279 Y N -0.206 119.904 120.300 -0.316 0.000 3.050 279 Y HA -0.038 4.514 4.550 0.003 0.000 0.134 279 Y C -1.152 174.818 175.900 0.117 0.000 2.177 279 Y CA -0.664 57.402 58.100 -0.056 0.000 1.160 279 Y CB -1.713 36.724 38.460 -0.038 0.000 1.698 279 Y HN 0.501 nan 8.280 nan 0.000 0.350 280 W N 4.542 125.809 121.300 -0.056 0.000 2.844 280 W HA 0.571 5.233 4.660 0.003 0.000 0.340 280 W C -0.203 176.311 176.519 -0.008 0.000 1.093 280 W CA -1.784 55.446 57.345 -0.193 0.000 1.212 280 W CB 1.205 30.329 29.460 -0.559 0.000 1.422 280 W HN 0.099 nan 8.180 nan 0.000 0.515 281 K N 1.551 122.029 120.400 0.131 0.000 2.319 281 K HA 0.545 4.867 4.320 0.003 0.000 0.265 281 K C 0.714 177.542 176.600 0.381 0.000 1.000 281 K CA 0.446 56.877 56.287 0.240 0.000 0.943 281 K CB 0.428 32.957 32.500 0.049 0.000 0.950 281 K HN 0.697 nan 8.250 nan 0.000 0.485 282 G N 1.271 110.061 108.800 -0.016 0.000 2.384 282 G HA2 -0.156 3.806 3.960 0.003 0.000 0.200 282 G HA3 -0.156 3.806 3.960 0.003 0.000 0.200 282 G C -1.640 172.850 174.900 -0.683 0.000 1.205 282 G CA -0.732 44.219 45.100 -0.247 0.000 1.116 282 G HN 0.604 nan 8.290 nan 0.000 0.547 283 W N 1.008 122.190 121.300 -0.197 0.000 2.291 283 W HA 0.559 5.221 4.660 0.003 0.000 0.288 283 W C -0.264 176.048 176.519 -0.345 0.000 0.976 283 W CA -0.468 56.767 57.345 -0.183 0.000 1.744 283 W CB 0.054 29.448 29.460 -0.111 0.000 1.815 283 W HN 0.373 nan 8.180 nan 0.000 0.396 284 F N 0.192 120.212 119.950 0.117 0.000 2.731 284 F HA 0.231 4.760 4.527 0.003 0.000 0.298 284 F C 2.053 177.831 175.800 -0.038 0.000 1.106 284 F CA -0.045 57.979 58.000 0.041 0.000 1.329 284 F CB -0.179 38.794 39.000 -0.045 0.000 1.100 284 F HN 0.013 nan 8.300 nan 0.000 0.592 285 G N 0.542 109.393 108.800 0.085 0.000 2.716 285 G HA2 0.366 4.328 3.960 0.003 0.000 0.251 285 G HA3 0.366 4.328 3.960 0.003 0.000 0.251 285 G C 0.083 175.018 174.900 0.059 0.000 1.224 285 G CA -0.163 44.927 45.100 -0.017 0.000 0.891 285 G HN 0.352 nan 8.290 nan 0.000 0.561 286 A N -0.159 122.696 122.820 0.058 0.000 2.448 286 A HA 0.516 4.837 4.320 0.003 0.000 0.239 286 A C 0.871 178.625 177.584 0.285 0.000 1.080 286 A CA 0.075 52.214 52.037 0.169 0.000 0.779 286 A CB 0.115 19.268 19.000 0.255 0.000 1.026 286 A HN 0.910 nan 8.150 nan 0.000 0.499 287 R N 0.389 121.079 120.500 0.316 0.000 2.480 287 R HA 0.633 4.975 4.340 0.003 0.000 0.306 287 R C -0.990 175.697 176.300 0.645 0.000 0.958 287 R CA -0.608 55.786 56.100 0.491 0.000 0.861 287 R CB 1.010 31.525 30.300 0.360 0.000 1.171 287 R HN 0.617 nan 8.270 nan 0.000 0.445 288 V N -0.906 119.480 119.914 0.787 0.000 2.881 288 V HA 0.880 5.002 4.120 0.003 0.000 0.316 288 V C -0.244 176.364 176.094 0.858 0.000 1.070 288 V CA -0.647 62.165 62.300 0.853 0.000 0.976 288 V CB 1.897 34.140 31.823 0.700 0.000 1.038 288 V HN 0.966 nan 8.190 nan 0.000 0.446 289 T N 1.352 116.369 114.554 0.771 0.000 2.927 289 T HA 0.400 4.752 4.350 0.003 0.000 0.350 289 T C -0.068 174.866 174.700 0.390 0.000 1.746 289 T CA 0.424 62.824 62.100 0.500 0.000 1.081 289 T CB 1.059 70.055 68.868 0.213 0.000 1.551 289 T HN 1.865 nan 8.240 nan 0.000 0.489 290 N N 0.980 119.823 118.700 0.239 0.000 2.965 290 N HA -0.183 4.558 4.740 0.003 0.000 0.232 290 N C -0.128 175.585 175.510 0.338 0.000 0.913 290 N CA 1.448 54.602 53.050 0.173 0.000 0.981 290 N CB -1.619 36.846 38.487 -0.036 0.000 1.077 290 N HN 0.797 nan 8.380 nan 0.000 0.589 291 S N -0.045 115.862 115.700 0.345 0.000 2.643 291 S HA 0.292 4.764 4.470 0.003 0.000 0.310 291 S C 0.265 174.905 174.600 0.067 0.000 1.253 291 S CA 0.359 58.670 58.200 0.185 0.000 1.047 291 S CB 0.752 63.872 63.200 -0.133 0.000 0.767 291 S HN 0.889 nan 8.310 nan 0.000 0.498 292 S N 0.071 115.835 115.700 0.106 0.000 2.565 292 S HA 0.748 5.219 4.470 0.003 0.000 0.269 292 S C -1.269 173.403 174.600 0.121 0.000 1.153 292 S CA -0.945 57.307 58.200 0.087 0.000 0.835 292 S CB 1.488 64.933 63.200 0.408 0.000 1.122 292 S HN 0.723 nan 8.310 nan 0.000 0.462 293 V N 1.080 120.890 119.914 -0.174 0.000 2.817 293 V HA 0.612 4.734 4.120 0.003 0.000 0.303 293 V C -1.909 173.963 176.094 -0.370 0.000 1.151 293 V CA -0.391 61.872 62.300 -0.061 0.000 0.929 293 V CB 1.709 33.505 31.823 -0.045 0.000 1.030 293 V HN 0.985 nan 8.190 nan 0.000 0.427 294 W N 2.810 124.100 121.300 -0.017 0.000 2.915 294 W HA 0.751 5.412 4.660 0.001 0.000 0.337 294 W C -0.758 175.718 176.519 -0.072 0.000 1.102 294 W CA -0.859 56.470 57.345 -0.027 0.000 1.224 294 W CB 2.147 31.613 29.460 0.009 0.000 1.416 294 W HN 0.326 nan 8.180 nan 0.000 0.503 295 V N 2.774 122.764 119.914 0.126 0.000 2.311 295 V HA 0.267 4.389 4.120 0.003 0.000 0.275 295 V C -0.035 176.160 176.094 0.169 0.000 1.022 295 V CA -1.115 61.207 62.300 0.036 0.000 0.830 295 V CB 0.665 32.337 31.823 -0.252 0.000 1.012 295 V HN 0.398 nan 8.190 nan 0.000 0.452 296 E N 6.917 127.209 120.200 0.153 0.000 2.194 296 E HA 0.313 4.665 4.350 0.003 0.000 0.284 296 E C -2.135 174.527 176.600 0.103 0.000 1.035 296 E CA -1.457 55.018 56.400 0.126 0.000 0.836 296 E CB 1.769 31.516 29.700 0.078 0.000 1.070 296 E HN 0.470 nan 8.360 nan 0.000 0.401 297 P HA 0.000 nan 4.420 nan 0.000 0.216 297 P CA 0.000 63.157 63.100 0.094 0.000 0.800 297 P CB 0.000 31.607 31.700 -0.155 0.000 0.726