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 3kcv_1_D DATA FIRST_RESID 30 DATA SEQUENCE HPLKTFYLAI TAGVFISIAF VFYITATTGT GTMPFGMAKL VGGICFSLGL DATA SEQUENCE ILCVVCGADL FTSTVLIVVA KASGRITWGQ LAKNWLNVYF GNLVGALLFV DATA SEQUENCE LLMWLSGEYM TANGQWGLNV LQTADHKVHH TFIEAVCLGI LANLMVCLAV DATA SEQUENCE WMSYSGRSLM DKAFIMVLPV AMFVASGFEH SIANMFMIPM GIVIRDFASP DATA SEQUENCE EFWTAVGSAP ENFSHLTVMN FITDNLIPVT IGNIIGGGLL VGLTYWVIYL DATA SEQUENCE R 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 30 H HA 0.000 nan 4.556 nan 0.000 0.296 30 H C 0.000 175.374 175.328 0.076 0.000 0.993 30 H CA 0.000 56.076 56.048 0.047 0.000 1.023 30 H CB 0.000 29.783 29.762 0.035 0.000 1.292 31 P HA -0.141 nan 4.420 nan 0.000 0.215 31 P C 1.710 179.165 177.300 0.258 0.000 1.157 31 P CA 0.673 63.846 63.100 0.122 0.000 0.874 31 P CB 0.499 32.213 31.700 0.023 0.000 0.790 32 L N -0.534 120.880 121.223 0.318 0.000 2.156 32 L HA -0.065 4.274 4.340 -0.001 0.000 0.208 32 L C 2.373 179.495 176.870 0.420 0.000 1.095 32 L CA 1.716 56.774 54.840 0.364 0.000 0.770 32 L CB -0.918 41.317 42.059 0.294 0.000 0.914 32 L HN -0.152 nan 8.230 nan 0.000 0.439 33 K N -1.237 119.379 120.400 0.359 0.000 2.009 33 K HA -0.191 4.128 4.320 -0.001 0.000 0.210 33 K C 1.945 178.695 176.600 0.249 0.000 1.049 33 K CA 1.977 58.380 56.287 0.194 0.000 0.929 33 K CB -0.202 32.351 32.500 0.088 0.000 0.714 33 K HN 0.260 nan 8.250 nan 0.000 0.440 34 T N 0.957 115.663 114.554 0.253 0.000 2.665 34 T HA -0.203 4.146 4.350 -0.001 0.000 0.268 34 T C 1.428 176.271 174.700 0.237 0.000 1.035 34 T CA 1.738 63.968 62.100 0.217 0.000 1.151 34 T CB -0.450 68.546 68.868 0.213 0.000 0.862 34 T HN 0.298 nan 8.240 nan 0.000 0.438 35 F N 0.335 120.386 119.950 0.168 0.000 2.120 35 F HA -0.181 4.346 4.527 -0.001 0.000 0.300 35 F C 2.005 177.821 175.800 0.026 0.000 1.095 35 F CA 1.315 59.382 58.000 0.111 0.000 1.249 35 F CB -0.386 38.702 39.000 0.148 0.000 0.995 35 F HN 0.225 nan 8.300 nan 0.000 0.480 36 Y N -0.239 120.155 120.300 0.157 0.000 2.220 36 Y HA -0.160 4.390 4.550 -0.001 0.000 0.291 36 Y C 2.267 178.109 175.900 -0.097 0.000 1.129 36 Y CA 1.363 59.478 58.100 0.024 0.000 1.161 36 Y CB -0.330 38.164 38.460 0.056 0.000 0.997 36 Y HN -0.021 nan 8.280 nan 0.000 0.522 37 L N -1.113 120.156 121.223 0.076 0.000 2.201 37 L HA -0.207 4.132 4.340 -0.001 0.000 0.212 37 L C 2.568 179.361 176.870 -0.127 0.000 1.105 37 L CA 0.886 55.703 54.840 -0.039 0.000 0.775 37 L CB -0.745 41.325 42.059 0.018 0.000 0.913 37 L HN 0.224 nan 8.230 nan 0.000 0.440 38 A N 0.426 123.168 122.820 -0.130 0.000 1.872 38 A HA -0.131 4.189 4.320 -0.001 0.000 0.214 38 A C 2.218 179.612 177.584 -0.316 0.000 1.187 38 A CA 1.119 53.045 52.037 -0.186 0.000 0.614 38 A CB -0.507 18.381 19.000 -0.186 0.000 0.826 38 A HN 0.278 nan 8.150 nan 0.000 0.442 39 I N -0.324 119.971 120.570 -0.457 0.000 2.208 39 I HA -0.253 3.917 4.170 -0.001 0.000 0.245 39 I C 2.536 178.428 176.117 -0.376 0.000 1.097 39 I CA 1.811 62.829 61.300 -0.470 0.000 1.363 39 I CB -0.335 37.332 38.000 -0.555 0.000 1.051 39 I HN 0.263 nan 8.210 nan 0.000 0.413 40 T N 0.409 114.728 114.554 -0.392 0.000 2.821 40 T HA -0.112 4.238 4.350 -0.001 0.000 0.267 40 T C 1.948 176.189 174.700 -0.765 0.000 1.046 40 T CA 1.296 63.052 62.100 -0.574 0.000 1.139 40 T CB -0.183 68.326 68.868 -0.599 0.000 0.871 40 T HN 0.485 nan 8.240 nan 0.000 0.454 41 A N 1.265 123.802 122.820 -0.471 0.000 1.930 41 A HA 0.159 4.479 4.320 -0.001 0.000 0.217 41 A C 2.597 180.098 177.584 -0.138 0.000 1.175 41 A CA 1.754 53.654 52.037 -0.228 0.000 0.627 41 A CB -1.324 17.633 19.000 -0.073 0.000 0.815 41 A HN 0.496 nan 8.150 nan 0.000 0.443 42 G N -0.319 108.370 108.800 -0.186 0.000 2.476 42 G HA2 -0.214 3.746 3.960 -0.001 0.000 0.218 42 G HA3 -0.214 3.746 3.960 -0.001 0.000 0.218 42 G C 1.522 176.331 174.900 -0.151 0.000 1.164 42 G CA 1.502 46.520 45.100 -0.137 0.000 0.768 42 G HN 0.340 nan 8.290 nan 0.000 0.560 43 V N 0.327 120.089 119.914 -0.253 0.000 2.379 43 V HA -0.036 4.083 4.120 -0.001 0.000 0.245 43 V C 2.537 178.441 176.094 -0.317 0.000 1.044 43 V CA 1.142 63.208 62.300 -0.390 0.000 1.036 43 V CB -0.610 30.972 31.823 -0.401 0.000 0.664 43 V HN 0.229 nan 8.190 nan 0.000 0.453 44 F N -0.180 119.568 119.950 -0.336 0.000 2.063 44 F HA -0.218 4.308 4.527 -0.001 0.000 0.298 44 F C 2.217 177.835 175.800 -0.304 0.000 1.109 44 F CA 1.448 59.272 58.000 -0.293 0.000 1.212 44 F CB -1.015 37.864 39.000 -0.201 0.000 0.973 44 F HN 0.131 nan 8.300 nan 0.000 0.480 45 I N -0.548 120.005 120.570 -0.027 0.000 2.546 45 I HA -0.183 3.986 4.170 -0.001 0.000 0.255 45 I C 2.356 178.418 176.117 -0.092 0.000 1.163 45 I CA 1.006 62.245 61.300 -0.102 0.000 1.457 45 I CB -0.812 37.216 38.000 0.046 0.000 1.092 45 I HN -0.063 nan 8.210 nan 0.000 0.434 46 S N 0.153 115.761 115.700 -0.153 0.000 2.371 46 S HA -0.060 4.409 4.470 -0.001 0.000 0.224 46 S C 2.107 176.566 174.600 -0.235 0.000 1.029 46 S CA 1.041 59.047 58.200 -0.323 0.000 0.978 46 S CB -0.308 62.636 63.200 -0.426 0.000 0.833 46 S HN 0.366 nan 8.310 nan 0.000 0.466 47 I N 1.792 122.188 120.570 -0.291 0.000 2.264 47 I HA -0.265 3.904 4.170 -0.001 0.000 0.248 47 I C 2.576 178.678 176.117 -0.025 0.000 1.111 47 I CA 0.945 62.186 61.300 -0.098 0.000 1.382 47 I CB -0.412 37.449 38.000 -0.233 0.000 1.060 47 I HN 0.267 nan 8.210 nan 0.000 0.418 48 A N 0.678 123.385 122.820 -0.189 0.000 1.849 48 A HA -0.274 4.045 4.320 -0.001 0.000 0.217 48 A C 2.142 179.763 177.584 0.062 0.000 1.202 48 A CA 1.786 53.599 52.037 -0.372 0.000 0.629 48 A CB -1.137 17.155 19.000 -1.180 0.000 0.834 48 A HN 0.346 nan 8.150 nan 0.000 0.447 49 F N -0.099 119.972 119.950 0.202 0.000 2.216 49 F HA -0.110 4.417 4.527 -0.001 0.000 0.300 49 F C 2.498 178.569 175.800 0.451 0.000 1.085 49 F CA 1.000 59.279 58.000 0.464 0.000 1.326 49 F CB -0.475 38.828 39.000 0.505 0.000 1.027 49 F HN 0.020 nan 8.300 nan 0.000 0.497 50 V N -0.774 119.474 119.914 0.557 0.000 2.295 50 V HA -0.306 3.813 4.120 -0.001 0.000 0.246 50 V C 2.274 178.710 176.094 0.570 0.000 1.049 50 V CA 1.661 64.306 62.300 0.574 0.000 1.024 50 V CB -0.813 31.315 31.823 0.509 0.000 0.648 50 V HN 0.246 nan 8.190 nan 0.000 0.447 51 F N 0.191 120.313 119.950 0.287 0.000 2.154 51 F HA -0.251 4.275 4.527 -0.001 0.000 0.301 51 F C 2.321 178.260 175.800 0.231 0.000 1.087 51 F CA 1.749 59.874 58.000 0.208 0.000 1.274 51 F CB -0.867 38.199 39.000 0.109 0.000 1.009 51 F HN 0.351 nan 8.300 nan 0.000 0.485 52 Y N 0.249 120.690 120.300 0.236 0.000 2.145 52 Y HA -0.208 4.341 4.550 -0.001 0.000 0.286 52 Y C 2.313 178.250 175.900 0.063 0.000 1.145 52 Y CA 1.897 60.059 58.100 0.103 0.000 1.148 52 Y CB -0.526 38.088 38.460 0.256 0.000 0.981 52 Y HN -0.023 nan 8.280 nan 0.000 0.507 53 I N -0.033 120.567 120.570 0.049 0.000 2.286 53 I HA -0.269 3.900 4.170 -0.001 0.000 0.248 53 I C 2.196 178.168 176.117 -0.241 0.000 1.115 53 I CA 1.801 62.924 61.300 -0.296 0.000 1.392 53 I CB -1.620 36.074 38.000 -0.510 0.000 1.065 53 I HN 0.308 nan 8.210 nan 0.000 0.418 54 T N 1.224 115.859 114.554 0.136 0.000 2.737 54 T HA -0.074 4.276 4.350 -0.001 0.000 0.265 54 T C 2.026 176.753 174.700 0.045 0.000 1.038 54 T CA 1.516 63.790 62.100 0.290 0.000 1.144 54 T CB -0.217 68.913 68.868 0.437 0.000 0.866 54 T HN 0.440 nan 8.240 nan 0.000 0.434 55 A N 1.435 124.182 122.820 -0.122 0.000 1.972 55 A HA -0.074 4.245 4.320 -0.001 0.000 0.219 55 A C 2.389 179.836 177.584 -0.228 0.000 1.169 55 A CA 1.968 53.878 52.037 -0.212 0.000 0.635 55 A CB -0.795 17.986 19.000 -0.365 0.000 0.810 55 A HN 0.600 nan 8.150 nan 0.000 0.446 56 T N -4.397 109.955 114.554 -0.337 0.000 3.105 56 T HA 0.202 4.551 4.350 -0.001 0.000 0.253 56 T C 0.559 175.111 174.700 -0.247 0.000 1.047 56 T CA 0.480 62.362 62.100 -0.363 0.000 0.944 56 T CB -0.417 68.070 68.868 -0.635 0.000 1.016 56 T HN 0.110 nan 8.240 nan 0.000 0.544 57 T N 1.845 116.304 114.554 -0.158 0.000 2.884 57 T HA 0.463 4.812 4.350 -0.001 0.000 0.298 57 T C 1.290 175.968 174.700 -0.037 0.000 0.998 57 T CA 0.971 63.027 62.100 -0.074 0.000 1.124 57 T CB -0.022 68.877 68.868 0.052 0.000 0.931 57 T HN 0.853 nan 8.240 nan 0.000 0.531 58 G N 3.227 112.011 108.800 -0.026 0.000 2.198 58 G HA2 -0.266 3.694 3.960 -0.001 0.000 0.260 58 G HA3 -0.266 3.694 3.960 -0.001 0.000 0.260 58 G C 0.517 175.398 174.900 -0.031 0.000 1.025 58 G CA 0.614 45.705 45.100 -0.014 0.000 0.769 58 G HN 1.096 nan 8.290 nan 0.000 0.507 59 T N -2.871 111.650 114.554 -0.056 0.000 3.260 59 T HA 0.528 4.878 4.350 -0.001 0.000 0.254 59 T C 1.932 176.609 174.700 -0.038 0.000 0.951 59 T CA 0.807 62.870 62.100 -0.061 0.000 0.918 59 T CB 0.826 69.630 68.868 -0.107 0.000 1.098 59 T HN 0.937 nan 8.240 nan 0.000 0.563 60 G N 2.196 110.985 108.800 -0.017 0.000 2.408 60 G HA2 -0.171 3.788 3.960 -0.001 0.000 0.217 60 G HA3 -0.171 3.788 3.960 -0.001 0.000 0.217 60 G C 1.611 176.517 174.900 0.011 0.000 1.150 60 G CA 1.260 46.362 45.100 0.004 0.000 0.776 60 G HN 0.668 nan 8.290 nan 0.000 0.542 61 T N -1.392 113.163 114.554 0.002 0.000 3.067 61 T HA 0.304 4.653 4.350 -0.001 0.000 0.261 61 T C 1.298 176.001 174.700 0.005 0.000 1.110 61 T CA -0.002 62.100 62.100 0.004 0.000 1.113 61 T CB 0.009 68.877 68.868 -0.000 0.000 0.917 61 T HN 0.110 nan 8.240 nan 0.000 0.499 62 M N 2.255 121.853 119.600 -0.003 0.000 2.242 62 M HA 0.288 4.768 4.480 -0.001 0.000 0.344 62 M C -2.263 174.046 176.300 0.015 0.000 1.140 62 M CA -2.061 53.234 55.300 -0.008 0.000 1.160 62 M CB 0.259 32.837 32.600 -0.037 0.000 1.491 62 M HN -0.118 nan 8.290 nan 0.000 0.459 63 P HA -0.111 nan 4.420 nan 0.000 0.258 63 P C 0.165 177.507 177.300 0.070 0.000 1.172 63 P CA 0.346 63.476 63.100 0.051 0.000 0.762 63 P CB 0.076 31.793 31.700 0.027 0.000 0.764 64 F N 4.431 124.360 119.950 -0.035 0.000 2.045 64 F HA -0.292 4.235 4.527 -0.001 0.000 0.297 64 F C 2.235 178.007 175.800 -0.046 0.000 1.114 64 F CA 2.769 60.744 58.000 -0.041 0.000 1.207 64 F CB -0.909 38.068 39.000 -0.039 0.000 0.964 64 F HN 0.391 nan 8.300 nan 0.000 0.486 65 G N -0.695 108.166 108.800 0.102 0.000 2.422 65 G HA2 -0.256 3.704 3.960 -0.001 0.000 0.218 65 G HA3 -0.256 3.704 3.960 -0.001 0.000 0.218 65 G C 1.483 176.325 174.900 -0.096 0.000 1.146 65 G CA 0.997 46.092 45.100 -0.010 0.000 0.769 65 G HN 0.324 nan 8.290 nan 0.000 0.547 66 M N 1.273 120.834 119.600 -0.064 0.000 2.086 66 M HA 0.183 4.663 4.480 -0.001 0.000 0.261 66 M C 2.864 179.091 176.300 -0.121 0.000 1.067 66 M CA 1.261 56.517 55.300 -0.074 0.000 1.116 66 M CB -0.683 31.890 32.600 -0.044 0.000 1.348 66 M HN 0.265 nan 8.290 nan 0.000 0.407 67 A N -0.733 121.993 122.820 -0.157 0.000 1.877 67 A HA -0.182 4.137 4.320 -0.001 0.000 0.216 67 A C 2.185 179.627 177.584 -0.237 0.000 1.186 67 A CA 1.786 53.706 52.037 -0.196 0.000 0.620 67 A CB -0.494 18.379 19.000 -0.211 0.000 0.822 67 A HN 0.305 nan 8.150 nan 0.000 0.443 68 K N -0.505 119.706 120.400 -0.315 0.000 2.025 68 K HA -0.043 4.276 4.320 -0.001 0.000 0.207 68 K C 1.847 178.337 176.600 -0.183 0.000 1.049 68 K CA 1.154 57.278 56.287 -0.273 0.000 0.933 68 K CB -0.792 31.442 32.500 -0.443 0.000 0.714 68 K HN 0.431 nan 8.250 nan 0.000 0.438 69 L N 0.413 121.532 121.223 -0.174 0.000 1.997 69 L HA -0.205 4.134 4.340 -0.001 0.000 0.216 69 L C 1.851 178.651 176.870 -0.118 0.000 1.074 69 L CA 1.777 56.538 54.840 -0.131 0.000 0.763 69 L CB -0.814 41.186 42.059 -0.098 0.000 0.890 69 L HN -0.003 nan 8.230 nan 0.000 0.434 70 V N 0.532 120.373 119.914 -0.121 0.000 2.332 70 V HA -0.236 3.884 4.120 -0.001 0.000 0.248 70 V C 2.635 178.643 176.094 -0.144 0.000 1.055 70 V CA 1.900 64.124 62.300 -0.126 0.000 1.038 70 V CB -1.578 30.168 31.823 -0.129 0.000 0.651 70 V HN 0.706 nan 8.190 nan 0.000 0.450 71 G N -0.479 108.245 108.800 -0.128 0.000 2.443 71 G HA2 -0.100 3.859 3.960 -0.001 0.000 0.219 71 G HA3 -0.100 3.859 3.960 -0.001 0.000 0.219 71 G C 1.520 176.472 174.900 0.086 0.000 1.131 71 G CA 0.861 45.929 45.100 -0.053 0.000 0.775 71 G HN 0.597 nan 8.290 nan 0.000 0.547 72 G N 0.814 109.597 108.800 -0.029 0.000 2.426 72 G HA2 -0.032 3.927 3.960 -0.001 0.000 0.214 72 G HA3 -0.032 3.927 3.960 -0.001 0.000 0.214 72 G C 1.704 176.579 174.900 -0.042 0.000 1.156 72 G CA 0.368 45.409 45.100 -0.099 0.000 0.802 72 G HN 0.411 nan 8.290 nan 0.000 0.534 73 I N 0.587 121.115 120.570 -0.070 0.000 2.208 73 I HA -0.256 3.914 4.170 -0.001 0.000 0.245 73 I C 2.729 178.816 176.117 -0.049 0.000 1.097 73 I CA 0.738 61.994 61.300 -0.073 0.000 1.363 73 I CB -0.253 37.691 38.000 -0.095 0.000 1.051 73 I HN 0.201 nan 8.210 nan 0.000 0.413 74 C N 0.020 119.258 119.300 -0.102 0.000 2.453 74 C HA -0.190 4.269 4.460 -0.001 0.000 0.277 74 C C 2.717 177.793 174.990 0.144 0.000 1.262 74 C CA 0.321 59.237 59.018 -0.169 0.000 1.718 74 C CB -1.048 26.192 27.740 -0.833 0.000 2.031 74 C HN 0.531 nan 8.230 nan 0.000 0.480 75 F N 3.006 122.930 119.950 -0.043 0.000 2.192 75 F HA -0.206 4.320 4.527 -0.001 0.000 0.301 75 F C 2.523 178.305 175.800 -0.029 0.000 1.079 75 F CA 1.857 59.829 58.000 -0.046 0.000 1.303 75 F CB -0.270 38.585 39.000 -0.241 0.000 1.024 75 F HN 0.300 nan 8.300 nan 0.000 0.494 76 S N 0.254 115.994 115.700 0.065 0.000 2.537 76 S HA -0.189 4.280 4.470 -0.001 0.000 0.240 76 S C 2.144 176.663 174.600 -0.135 0.000 0.981 76 S CA 0.882 59.067 58.200 -0.025 0.000 0.948 76 S CB -1.043 62.157 63.200 0.000 0.000 0.759 76 S HN 0.575 nan 8.310 nan 0.000 0.531 77 L N 1.524 122.678 121.223 -0.116 0.000 2.021 77 L HA -0.161 4.179 4.340 -0.001 0.000 0.215 77 L C 2.706 179.390 176.870 -0.311 0.000 1.074 77 L CA 2.005 56.737 54.840 -0.180 0.000 0.760 77 L CB -1.441 40.539 42.059 -0.132 0.000 0.889 77 L HN 0.549 nan 8.230 nan 0.000 0.433 78 G N -0.341 108.219 108.800 -0.399 0.000 2.446 78 G HA2 -0.321 3.638 3.960 -0.001 0.000 0.217 78 G HA3 -0.321 3.638 3.960 -0.001 0.000 0.217 78 G C 1.501 176.225 174.900 -0.293 0.000 1.168 78 G CA 0.950 45.803 45.100 -0.410 0.000 0.771 78 G HN 0.313 nan 8.290 nan 0.000 0.551 79 L N 0.182 121.256 121.223 -0.249 0.000 2.109 79 L HA 0.243 4.583 4.340 -0.001 0.000 0.207 79 L C 2.716 179.510 176.870 -0.126 0.000 1.086 79 L CA 0.866 55.624 54.840 -0.137 0.000 0.760 79 L CB -0.163 41.846 42.059 -0.084 0.000 0.910 79 L HN 0.219 nan 8.230 nan 0.000 0.437 80 I N -1.676 118.800 120.570 -0.157 0.000 2.252 80 I HA -0.289 3.880 4.170 -0.001 0.000 0.245 80 I C 2.172 178.165 176.117 -0.208 0.000 1.102 80 I CA 0.635 61.849 61.300 -0.144 0.000 1.385 80 I CB -0.197 37.721 38.000 -0.136 0.000 1.064 80 I HN 0.207 nan 8.210 nan 0.000 0.414 81 L N 0.255 121.247 121.223 -0.384 0.000 2.042 81 L HA -0.284 4.056 4.340 -0.001 0.000 0.210 81 L C 2.595 179.181 176.870 -0.474 0.000 1.076 81 L CA 1.780 56.177 54.840 -0.739 0.000 0.749 81 L CB -0.952 40.264 42.059 -1.405 0.000 0.893 81 L HN 0.359 nan 8.230 nan 0.000 0.432 82 C N -2.227 117.015 119.300 -0.096 0.000 2.442 82 C HA -0.149 4.310 4.460 -0.001 0.000 0.279 82 C C 2.725 177.817 174.990 0.169 0.000 1.237 82 C CA 0.809 60.013 59.018 0.310 0.000 1.722 82 C CB -0.710 27.144 27.740 0.189 0.000 2.056 82 C HN 0.394 nan 8.230 nan 0.000 0.469 83 V N 0.311 120.257 119.914 0.054 0.000 2.215 83 V HA -0.246 3.874 4.120 -0.001 0.000 0.246 83 V C 2.404 178.535 176.094 0.061 0.000 1.047 83 V CA 2.412 64.740 62.300 0.046 0.000 0.999 83 V CB -0.938 30.879 31.823 -0.010 0.000 0.635 83 V HN 0.441 nan 8.190 nan 0.000 0.450 84 V N -0.744 119.181 119.914 0.019 0.000 2.250 84 V HA -0.363 3.756 4.120 -0.001 0.000 0.253 84 V C 2.200 178.328 176.094 0.056 0.000 1.065 84 V CA 2.629 64.940 62.300 0.018 0.000 1.039 84 V CB -0.614 31.192 31.823 -0.029 0.000 0.647 84 V HN 0.759 nan 8.190 nan 0.000 0.446 85 C N 0.163 119.526 119.300 0.105 0.000 2.613 85 C HA 0.465 4.924 4.460 -0.001 0.000 0.273 85 C C 1.870 176.962 174.990 0.171 0.000 1.304 85 C CA 0.059 59.183 59.018 0.177 0.000 1.702 85 C CB -1.098 26.844 27.740 0.337 0.000 1.792 85 C HN 0.923 nan 8.230 nan 0.000 0.588 86 G N 0.944 109.831 108.800 0.146 0.000 2.153 86 G HA2 -0.098 3.862 3.960 -0.001 0.000 0.252 86 G HA3 -0.098 3.862 3.960 -0.001 0.000 0.252 86 G C 0.192 175.145 174.900 0.088 0.000 0.994 86 G CA 0.302 45.466 45.100 0.107 0.000 0.698 86 G HN 0.930 nan 8.290 nan 0.000 0.521 87 A N -0.464 122.420 122.820 0.107 0.000 2.407 87 A HA 0.538 4.857 4.320 -0.001 0.000 0.248 87 A C 0.196 177.803 177.584 0.039 0.000 1.082 87 A CA 0.433 52.464 52.037 -0.010 0.000 0.785 87 A CB 0.465 19.342 19.000 -0.206 0.000 1.020 87 A HN 0.298 nan 8.150 nan 0.000 0.489 88 D N 1.196 121.602 120.400 0.011 0.000 2.473 88 D HA 0.410 5.050 4.640 -0.001 0.000 0.226 88 D C -0.945 175.389 176.300 0.057 0.000 1.089 88 D CA -0.078 53.956 54.000 0.057 0.000 0.883 88 D CB 0.549 41.398 40.800 0.080 0.000 1.029 88 D HN 0.341 nan 8.370 nan 0.000 0.517 89 L N 4.949 126.219 121.223 0.077 0.000 2.281 89 L HA 0.394 4.733 4.340 -0.001 0.000 0.285 89 L C -0.431 176.526 176.870 0.145 0.000 1.074 89 L CA -0.632 54.273 54.840 0.109 0.000 0.817 89 L CB 0.307 42.432 42.059 0.111 0.000 1.168 89 L HN 0.256 nan 8.230 nan 0.000 0.434 90 F N 5.900 125.866 119.950 0.027 0.000 2.439 90 F HA -0.118 4.408 4.527 -0.001 0.000 0.417 90 F C 1.481 177.245 175.800 -0.060 0.000 0.957 90 F CA 1.477 59.472 58.000 -0.008 0.000 1.146 90 F CB -0.232 38.753 39.000 -0.025 0.000 0.911 90 F HN 0.915 nan 8.300 nan 0.000 0.531 91 T N 1.458 115.487 114.554 -0.876 0.000 8.916 91 T HA -0.369 3.981 4.350 -0.001 0.000 0.358 91 T C 1.598 176.116 174.700 -0.303 0.000 1.831 91 T CA 1.724 63.313 62.100 -0.852 0.000 2.710 91 T CB -1.913 66.056 68.868 -1.498 0.000 2.731 91 T HN 0.930 nan 8.240 nan 0.000 1.221 92 S N 1.320 116.946 115.700 -0.123 0.000 2.382 92 S HA -0.105 4.364 4.470 -0.001 0.000 0.228 92 S C 1.731 176.333 174.600 0.003 0.000 1.027 92 S CA 1.553 59.736 58.200 -0.029 0.000 0.991 92 S CB -0.688 62.520 63.200 0.013 0.000 0.823 92 S HN 1.044 nan 8.310 nan 0.000 0.469 93 T N -0.786 113.797 114.554 0.050 0.000 3.287 93 T HA 0.399 4.748 4.350 -0.001 0.000 0.253 93 T C 1.096 175.891 174.700 0.158 0.000 0.975 93 T CA 0.128 62.306 62.100 0.129 0.000 0.912 93 T CB 0.210 69.179 68.868 0.168 0.000 1.071 93 T HN 0.183 nan 8.240 nan 0.000 0.578 94 V N 1.164 121.144 119.914 0.110 0.000 2.515 94 V HA 0.027 4.146 4.120 -0.001 0.000 0.250 94 V C 2.159 178.359 176.094 0.176 0.000 1.058 94 V CA 1.426 63.824 62.300 0.162 0.000 1.064 94 V CB -0.493 31.373 31.823 0.072 0.000 0.675 94 V HN 0.716 nan 8.190 nan 0.000 0.461 95 L N -0.620 120.719 121.223 0.193 0.000 2.201 95 L HA -0.123 4.216 4.340 -0.001 0.000 0.212 95 L C 2.252 179.273 176.870 0.252 0.000 1.105 95 L CA 1.228 56.215 54.840 0.245 0.000 0.775 95 L CB -0.450 41.850 42.059 0.401 0.000 0.913 95 L HN 0.340 nan 8.230 nan 0.000 0.440 96 I N -1.260 119.456 120.570 0.244 0.000 2.339 96 I HA -0.134 4.035 4.170 -0.001 0.000 0.245 96 I C 2.269 178.437 176.117 0.086 0.000 1.096 96 I CA 0.787 62.182 61.300 0.158 0.000 1.408 96 I CB -0.703 37.398 38.000 0.168 0.000 1.092 96 I HN -0.145 nan 8.210 nan 0.000 0.423 97 V N 0.295 120.269 119.914 0.100 0.000 2.982 97 V HA -0.160 3.959 4.120 -0.001 0.000 0.265 97 V C 2.100 178.167 176.094 -0.044 0.000 1.122 97 V CA 1.185 63.510 62.300 0.041 0.000 1.143 97 V CB -0.645 31.238 31.823 0.101 0.000 0.726 97 V HN 0.300 nan 8.190 nan 0.000 0.507 98 V N -0.520 119.384 119.914 -0.018 0.000 2.627 98 V HA 0.198 4.318 4.120 -0.001 0.000 0.239 98 V C 2.315 178.364 176.094 -0.074 0.000 1.077 98 V CA 1.239 63.480 62.300 -0.097 0.000 1.103 98 V CB -0.191 31.581 31.823 -0.085 0.000 0.802 98 V HN 0.456 nan 8.190 nan 0.000 0.482 99 A N -0.754 122.075 122.820 0.014 0.000 2.238 99 A HA 0.030 4.349 4.320 -0.001 0.000 0.208 99 A C 2.069 179.664 177.584 0.018 0.000 1.177 99 A CA 0.790 52.853 52.037 0.044 0.000 0.804 99 A CB -0.241 18.840 19.000 0.136 0.000 0.823 99 A HN 0.451 nan 8.150 nan 0.000 0.482 100 K N -0.393 120.003 120.400 -0.006 0.000 2.067 100 K HA 0.114 4.434 4.320 -0.001 0.000 0.203 100 K C 2.061 178.643 176.600 -0.030 0.000 1.048 100 K CA 0.873 57.148 56.287 -0.021 0.000 0.954 100 K CB -0.120 32.367 32.500 -0.022 0.000 0.737 100 K HN 0.370 nan 8.250 nan 0.000 0.444 101 A N 0.802 123.591 122.820 -0.052 0.000 2.216 101 A HA -0.034 4.285 4.320 -0.001 0.000 0.214 101 A C 0.473 178.020 177.584 -0.061 0.000 1.160 101 A CA 0.876 52.874 52.037 -0.065 0.000 0.725 101 A CB -0.240 18.697 19.000 -0.105 0.000 0.784 101 A HN 0.248 nan 8.150 nan 0.000 0.472 102 S N -2.664 113.007 115.700 -0.047 0.000 3.783 102 S HA -0.103 4.367 4.470 -0.001 0.000 0.360 102 S C 1.476 176.053 174.600 -0.039 0.000 1.006 102 S CA 0.954 59.148 58.200 -0.010 0.000 1.115 102 S CB -2.017 61.196 63.200 0.022 0.000 0.893 102 S HN 2.354 nan 8.310 nan 0.000 0.475 103 G N 0.956 109.659 108.800 -0.161 0.000 2.382 103 G HA2 -0.457 3.502 3.960 -0.001 0.000 0.259 103 G HA3 -0.457 3.502 3.960 -0.001 0.000 0.259 103 G C 0.702 175.447 174.900 -0.258 0.000 1.009 103 G CA 1.022 45.917 45.100 -0.342 0.000 0.625 103 G HN 0.692 nan 8.290 nan 0.000 0.541 104 R N -0.215 120.212 120.500 -0.121 0.000 2.397 104 R HA 0.125 4.465 4.340 -0.001 0.000 0.213 104 R C 1.314 177.526 176.300 -0.147 0.000 1.102 104 R CA 0.652 56.701 56.100 -0.085 0.000 1.040 104 R CB -0.182 30.097 30.300 -0.036 0.000 0.844 104 R HN 0.478 nan 8.270 nan 0.000 0.478 105 I N 1.654 122.082 120.570 -0.237 0.000 2.472 105 I HA -0.054 4.115 4.170 -0.001 0.000 0.305 105 I C 0.185 176.025 176.117 -0.462 0.000 1.196 105 I CA 0.522 61.638 61.300 -0.307 0.000 1.613 105 I CB -0.274 37.529 38.000 -0.329 0.000 1.501 105 I HN -0.083 nan 8.210 nan 0.000 0.754 106 T N 5.706 120.077 114.554 -0.305 0.000 2.766 106 T HA 0.034 4.383 4.350 -0.001 0.000 0.295 106 T C 1.351 175.920 174.700 -0.219 0.000 1.024 106 T CA -0.164 61.793 62.100 -0.239 0.000 1.018 106 T CB 0.545 69.486 68.868 0.121 0.000 1.002 106 T HN 0.565 nan 8.240 nan 0.000 0.532 107 W N 1.343 122.569 121.300 -0.123 0.000 2.352 107 W HA -0.059 4.601 4.660 -0.001 0.000 0.322 107 W C 2.550 178.990 176.519 -0.131 0.000 1.208 107 W CA 1.049 58.314 57.345 -0.133 0.000 1.286 107 W CB -1.220 28.183 29.460 -0.094 0.000 1.167 107 W HN 0.931 nan 8.180 nan 0.000 0.469 108 G N 0.163 109.067 108.800 0.173 0.000 2.446 108 G HA2 -0.342 3.618 3.960 -0.001 0.000 0.217 108 G HA3 -0.342 3.618 3.960 -0.001 0.000 0.217 108 G C 1.447 176.342 174.900 -0.009 0.000 1.168 108 G CA 1.143 46.279 45.100 0.060 0.000 0.771 108 G HN 0.308 nan 8.290 nan 0.000 0.551 109 Q N -0.349 119.440 119.800 -0.018 0.000 2.297 109 Q HA -0.048 4.291 4.340 -0.001 0.000 0.208 109 Q C 2.305 178.222 176.000 -0.139 0.000 0.981 109 Q CA 1.050 56.815 55.803 -0.064 0.000 0.876 109 Q CB -0.084 28.618 28.738 -0.059 0.000 0.921 109 Q HN 0.604 nan 8.270 nan 0.000 0.446 110 L N -0.730 120.362 121.223 -0.218 0.000 2.200 110 L HA 0.132 4.471 4.340 -0.001 0.000 0.200 110 L C 2.209 178.830 176.870 -0.415 0.000 1.072 110 L CA 1.018 55.626 54.840 -0.387 0.000 0.787 110 L CB -0.313 41.403 42.059 -0.571 0.000 0.957 110 L HN 0.164 nan 8.230 nan 0.000 0.459 111 A N 0.871 123.525 122.820 -0.276 0.000 2.076 111 A HA -0.199 4.120 4.320 -0.001 0.000 0.220 111 A C 1.377 178.940 177.584 -0.034 0.000 1.160 111 A CA 1.288 53.242 52.037 -0.138 0.000 0.653 111 A CB -0.728 18.264 19.000 -0.015 0.000 0.801 111 A HN 0.591 nan 8.150 nan 0.000 0.455 112 K N 0.175 120.545 120.400 -0.050 0.000 2.686 112 K HA 0.093 4.412 4.320 -0.001 0.000 0.244 112 K C 0.260 176.875 176.600 0.024 0.000 1.262 112 K CA 0.575 56.863 56.287 0.002 0.000 1.199 112 K CB -0.423 32.073 32.500 -0.007 0.000 1.428 112 K HN 0.525 nan 8.250 nan 0.000 0.247 113 N N 0.139 118.890 118.700 0.085 0.000 2.500 113 N HA -0.112 4.628 4.740 -0.001 0.000 0.306 113 N C 0.353 176.072 175.510 0.348 0.000 0.811 113 N CA -0.066 53.081 53.050 0.162 0.000 1.146 113 N CB -0.675 37.858 38.487 0.077 0.000 2.366 113 N HN 0.279 nan 8.380 nan 0.000 1.226 114 W N 2.410 123.816 121.300 0.175 0.000 2.321 114 W HA -0.024 4.635 4.660 -0.001 0.000 0.306 114 W C 2.340 179.050 176.519 0.318 0.000 1.217 114 W CA 0.971 58.498 57.345 0.302 0.000 1.257 114 W CB -1.058 28.580 29.460 0.297 0.000 1.145 114 W HN 0.269 nan 8.180 nan 0.000 0.509 115 L N 1.355 122.833 121.223 0.425 0.000 2.043 115 L HA -0.276 4.063 4.340 -0.001 0.000 0.212 115 L C 2.073 179.155 176.870 0.354 0.000 1.075 115 L CA 2.464 57.473 54.840 0.281 0.000 0.752 115 L CB -1.493 40.674 42.059 0.180 0.000 0.891 115 L HN -0.044 nan 8.230 nan 0.000 0.432 116 N N -0.711 118.205 118.700 0.359 0.000 2.080 116 N HA -0.144 4.596 4.740 -0.001 0.000 0.189 116 N C 1.772 177.489 175.510 0.346 0.000 1.036 116 N CA 1.897 55.192 53.050 0.407 0.000 0.846 116 N CB -0.292 38.408 38.487 0.355 0.000 1.015 116 N HN 0.245 nan 8.380 nan 0.000 0.423 117 V N 0.245 120.360 119.914 0.334 0.000 2.343 117 V HA -0.226 3.893 4.120 -0.001 0.000 0.247 117 V C 2.012 178.224 176.094 0.197 0.000 1.051 117 V CA 1.672 64.122 62.300 0.249 0.000 1.036 117 V CB -0.945 31.094 31.823 0.360 0.000 0.654 117 V HN 0.320 nan 8.190 nan 0.000 0.451 118 Y N -0.010 120.374 120.300 0.140 0.000 2.145 118 Y HA -0.277 4.273 4.550 -0.001 0.000 0.286 118 Y C 2.327 178.227 175.900 -0.000 0.000 1.145 118 Y CA 2.122 60.170 58.100 -0.086 0.000 1.148 118 Y CB -0.407 37.895 38.460 -0.263 0.000 0.981 118 Y HN 0.265 nan 8.280 nan 0.000 0.507 119 F N 0.350 120.371 119.950 0.117 0.000 2.216 119 F HA -0.007 4.520 4.527 -0.001 0.000 0.300 119 F C 2.168 177.867 175.800 -0.170 0.000 1.085 119 F CA 1.444 59.480 58.000 0.060 0.000 1.326 119 F CB -0.940 38.191 39.000 0.219 0.000 1.027 119 F HN 0.028 nan 8.300 nan 0.000 0.497 120 G N 0.091 108.574 108.800 -0.529 0.000 2.414 120 G HA2 -0.294 3.666 3.960 -0.001 0.000 0.215 120 G HA3 -0.294 3.666 3.960 -0.001 0.000 0.215 120 G C 1.504 176.051 174.900 -0.587 0.000 1.188 120 G CA 0.868 45.368 45.100 -1.000 0.000 0.783 120 G HN 0.455 nan 8.290 nan 0.000 0.537 121 N N 0.135 118.626 118.700 -0.348 0.000 2.060 121 N HA -0.179 4.561 4.740 -0.001 0.000 0.195 121 N C 2.047 177.410 175.510 -0.246 0.000 1.028 121 N CA 1.315 54.215 53.050 -0.249 0.000 0.861 121 N CB -0.220 38.159 38.487 -0.179 0.000 1.029 121 N HN 0.267 nan 8.380 nan 0.000 0.428 122 L N 1.087 122.144 121.223 -0.277 0.000 1.989 122 L HA -0.122 4.217 4.340 -0.001 0.000 0.211 122 L C 1.936 178.712 176.870 -0.158 0.000 1.071 122 L CA 1.479 56.213 54.840 -0.176 0.000 0.749 122 L CB -0.753 41.243 42.059 -0.104 0.000 0.890 122 L HN -0.005 nan 8.230 nan 0.000 0.431 123 V N 0.691 120.412 119.914 -0.321 0.000 2.282 123 V HA -0.299 3.821 4.120 -0.001 0.000 0.249 123 V C 2.682 178.667 176.094 -0.182 0.000 1.057 123 V CA 2.035 64.161 62.300 -0.290 0.000 1.032 123 V CB -1.918 29.611 31.823 -0.490 0.000 0.645 123 V HN 0.672 nan 8.190 nan 0.000 0.447 124 G N -0.717 107.940 108.800 -0.237 0.000 2.442 124 G HA2 -0.199 3.761 3.960 -0.001 0.000 0.219 124 G HA3 -0.199 3.761 3.960 -0.001 0.000 0.219 124 G C 1.739 176.622 174.900 -0.029 0.000 1.141 124 G CA 1.113 46.115 45.100 -0.165 0.000 0.763 124 G HN 0.646 nan 8.290 nan 0.000 0.554 125 A N 0.577 123.401 122.820 0.008 0.000 1.898 125 A HA 0.149 4.469 4.320 -0.001 0.000 0.216 125 A C 2.420 180.153 177.584 0.249 0.000 1.181 125 A CA 1.085 53.223 52.037 0.168 0.000 0.620 125 A CB -0.363 18.743 19.000 0.176 0.000 0.819 125 A HN 0.325 nan 8.150 nan 0.000 0.442 126 L N -0.459 120.840 121.223 0.127 0.000 2.042 126 L HA -0.206 4.134 4.340 -0.001 0.000 0.210 126 L C 2.594 179.535 176.870 0.118 0.000 1.076 126 L CA 1.350 56.254 54.840 0.106 0.000 0.749 126 L CB -0.846 41.245 42.059 0.053 0.000 0.893 126 L HN 0.408 nan 8.230 nan 0.000 0.432 127 L N -1.520 119.764 121.223 0.102 0.000 2.046 127 L HA -0.243 4.096 4.340 -0.001 0.000 0.208 127 L C 2.596 179.591 176.870 0.208 0.000 1.077 127 L CA 1.162 56.068 54.840 0.110 0.000 0.747 127 L CB -0.675 41.423 42.059 0.066 0.000 0.896 127 L HN 0.110 nan 8.230 nan 0.000 0.432 128 F N 0.286 120.280 119.950 0.073 0.000 2.171 128 F HA -0.160 4.366 4.527 -0.001 0.000 0.300 128 F C 2.319 178.288 175.800 0.280 0.000 1.090 128 F CA 0.922 58.986 58.000 0.107 0.000 1.293 128 F CB -0.362 38.633 39.000 -0.007 0.000 1.013 128 F HN -0.261 nan 8.300 nan 0.000 0.486 129 V N 0.174 120.340 119.914 0.419 0.000 2.252 129 V HA -0.318 3.802 4.120 -0.001 0.000 0.249 129 V C 2.453 178.601 176.094 0.091 0.000 1.056 129 V CA 2.004 64.460 62.300 0.259 0.000 1.022 129 V CB -0.913 30.952 31.823 0.069 0.000 0.641 129 V HN 0.389 nan 8.190 nan 0.000 0.445 130 L N -0.452 120.803 121.223 0.053 0.000 2.012 130 L HA -0.174 4.166 4.340 -0.001 0.000 0.210 130 L C 2.204 179.091 176.870 0.029 0.000 1.073 130 L CA 2.043 56.897 54.840 0.024 0.000 0.748 130 L CB -0.624 41.440 42.059 0.009 0.000 0.891 130 L HN 0.305 nan 8.230 nan 0.000 0.431 131 L N -1.128 120.086 121.223 -0.016 0.000 2.046 131 L HA -0.188 4.151 4.340 -0.001 0.000 0.208 131 L C 2.303 179.077 176.870 -0.160 0.000 1.077 131 L CA 1.795 56.584 54.840 -0.086 0.000 0.747 131 L CB -0.510 41.487 42.059 -0.103 0.000 0.896 131 L HN 0.281 nan 8.230 nan 0.000 0.432 132 M N -1.586 117.894 119.600 -0.199 0.000 2.175 132 M HA -0.246 4.234 4.480 -0.001 0.000 0.264 132 M C 2.101 178.355 176.300 -0.076 0.000 1.063 132 M CA 1.404 56.612 55.300 -0.154 0.000 1.119 132 M CB -1.679 30.926 32.600 0.008 0.000 1.377 132 M HN 0.585 nan 8.290 nan 0.000 0.415 133 W N 0.867 122.056 121.300 -0.185 0.000 2.379 133 W HA -0.174 4.485 4.660 -0.001 0.000 0.307 133 W C 1.757 178.140 176.519 -0.225 0.000 1.200 133 W CA 1.084 58.282 57.345 -0.246 0.000 1.297 133 W CB -0.409 28.870 29.460 -0.301 0.000 1.140 133 W HN 0.141 nan 8.180 nan 0.000 0.507 134 L N 1.696 122.851 121.223 -0.113 0.000 2.275 134 L HA -0.230 4.109 4.340 -0.001 0.000 0.215 134 L C 2.841 179.570 176.870 -0.236 0.000 1.119 134 L CA 1.531 56.270 54.840 -0.168 0.000 0.790 134 L CB -0.847 41.184 42.059 -0.045 0.000 0.919 134 L HN -0.002 nan 8.230 nan 0.000 0.443 135 S N 0.103 115.659 115.700 -0.241 0.000 2.442 135 S HA -0.049 4.421 4.470 -0.001 0.000 0.236 135 S C 1.357 175.787 174.600 -0.283 0.000 1.007 135 S CA 0.421 58.480 58.200 -0.234 0.000 0.965 135 S CB -0.682 62.377 63.200 -0.234 0.000 0.773 135 S HN 0.523 nan 8.310 nan 0.000 0.504 136 G N 0.853 109.414 108.800 -0.399 0.000 2.487 136 G HA2 -0.164 3.795 3.960 -0.001 0.000 0.243 136 G HA3 -0.164 3.795 3.960 -0.001 0.000 0.243 136 G C -0.034 174.677 174.900 -0.316 0.000 0.918 136 G CA 0.380 45.250 45.100 -0.383 0.000 1.260 136 G HN 0.610 nan 8.290 nan 0.000 0.408 137 E N 0.785 120.787 120.200 -0.329 0.000 2.555 137 E HA 0.105 4.454 4.350 -0.001 0.000 0.209 137 E C 1.875 178.230 176.600 -0.407 0.000 0.847 137 E CA 0.699 56.795 56.400 -0.505 0.000 1.438 137 E CB -0.216 29.053 29.700 -0.719 0.000 1.420 137 E HN 0.897 nan 8.360 nan 0.000 0.755 138 Y N 0.266 120.355 120.300 -0.352 0.000 2.446 138 Y HA -0.002 4.548 4.550 -0.001 0.000 0.287 138 Y C 1.287 177.143 175.900 -0.073 0.000 1.159 138 Y CA 0.876 58.940 58.100 -0.059 0.000 1.297 138 Y CB -0.555 37.724 38.460 -0.302 0.000 0.974 138 Y HN 0.054 nan 8.280 nan 0.000 0.557 139 M N 0.818 120.173 119.600 -0.407 0.000 2.495 139 M HA 0.116 4.595 4.480 -0.001 0.000 0.237 139 M C 0.072 176.282 176.300 -0.151 0.000 1.131 139 M CA 0.265 55.344 55.300 -0.368 0.000 1.032 139 M CB -0.715 31.632 32.600 -0.423 0.000 1.513 139 M HN 0.105 nan 8.290 nan 0.000 0.488 140 T N 1.423 115.890 114.554 -0.145 0.000 2.940 140 T HA 0.300 4.650 4.350 -0.001 0.000 0.309 140 T C 0.986 175.709 174.700 0.038 0.000 1.056 140 T CA 0.516 62.545 62.100 -0.118 0.000 1.137 140 T CB 0.748 69.433 68.868 -0.305 0.000 0.976 140 T HN 0.458 nan 8.240 nan 0.000 0.547 141 A N 3.527 126.356 122.820 0.015 0.000 2.822 141 A HA -0.263 4.057 4.320 -0.001 0.000 0.287 141 A C 0.943 178.545 177.584 0.031 0.000 1.479 141 A CA 0.918 52.979 52.037 0.041 0.000 0.779 141 A CB -2.547 16.507 19.000 0.089 0.000 1.022 141 A HN 1.210 nan 8.150 nan 0.000 0.532 142 N N -2.631 116.068 118.700 -0.001 0.000 2.738 142 N HA -0.158 4.582 4.740 -0.001 0.000 0.249 142 N C 1.139 176.649 175.510 0.001 0.000 1.047 142 N CA 1.629 54.671 53.050 -0.014 0.000 0.707 142 N CB -1.082 37.396 38.487 -0.016 0.000 0.937 142 N HN 2.551 nan 8.380 nan 0.000 0.545 143 G N -0.914 107.912 108.800 0.043 0.000 2.199 143 G HA2 -0.336 3.624 3.960 -0.001 0.000 0.254 143 G HA3 -0.336 3.624 3.960 -0.001 0.000 0.254 143 G C 0.698 175.723 174.900 0.208 0.000 0.982 143 G CA 0.567 45.768 45.100 0.168 0.000 0.632 143 G HN 0.474 nan 8.290 nan 0.000 0.529 144 Q N -0.920 118.960 119.800 0.132 0.000 2.119 144 Q HA -0.045 4.294 4.340 -0.001 0.000 0.201 144 Q C 2.038 178.138 176.000 0.166 0.000 0.972 144 Q CA 1.847 57.721 55.803 0.118 0.000 0.847 144 Q CB -0.275 28.507 28.738 0.073 0.000 0.903 144 Q HN 0.825 nan 8.270 nan 0.000 0.433 145 W N 0.977 122.292 121.300 0.026 0.000 2.333 145 W HA -0.163 4.497 4.660 -0.001 0.000 0.316 145 W C 2.174 178.725 176.519 0.053 0.000 1.215 145 W CA 2.214 59.574 57.345 0.026 0.000 1.278 145 W CB -0.585 28.881 29.460 0.010 0.000 1.154 145 W HN 0.204 nan 8.180 nan 0.000 0.486 146 G N 0.155 109.258 108.800 0.506 0.000 2.422 146 G HA2 -0.259 3.700 3.960 -0.001 0.000 0.218 146 G HA3 -0.259 3.700 3.960 -0.001 0.000 0.218 146 G C 1.287 176.322 174.900 0.225 0.000 1.140 146 G CA 0.967 46.293 45.100 0.377 0.000 0.775 146 G HN 0.296 nan 8.290 nan 0.000 0.545 147 L N 1.199 122.600 121.223 0.297 0.000 2.093 147 L HA 0.048 4.388 4.340 -0.001 0.000 0.208 147 L C 2.207 179.111 176.870 0.056 0.000 1.085 147 L CA 1.706 56.663 54.840 0.196 0.000 0.755 147 L CB -0.736 41.417 42.059 0.157 0.000 0.904 147 L HN 0.144 nan 8.230 nan 0.000 0.435 148 N N -0.168 118.515 118.700 -0.029 0.000 2.036 148 N HA -0.188 4.551 4.740 -0.001 0.000 0.195 148 N C 1.848 177.257 175.510 -0.169 0.000 1.037 148 N CA 2.061 55.033 53.050 -0.130 0.000 0.855 148 N CB -0.419 37.900 38.487 -0.279 0.000 1.033 148 N HN 0.267 nan 8.380 nan 0.000 0.423 149 V N 1.605 121.351 119.914 -0.280 0.000 2.252 149 V HA -0.246 3.874 4.120 -0.001 0.000 0.249 149 V C 2.578 178.565 176.094 -0.178 0.000 1.056 149 V CA 1.465 63.597 62.300 -0.280 0.000 1.022 149 V CB -0.640 31.004 31.823 -0.298 0.000 0.641 149 V HN 0.308 nan 8.190 nan 0.000 0.445 150 L N -0.613 120.521 121.223 -0.148 0.000 1.990 150 L HA -0.308 4.032 4.340 -0.001 0.000 0.213 150 L C 2.780 179.613 176.870 -0.063 0.000 1.072 150 L CA 2.056 56.746 54.840 -0.250 0.000 0.755 150 L CB -0.570 41.189 42.059 -0.501 0.000 0.889 150 L HN 0.406 nan 8.230 nan 0.000 0.432 151 Q N -1.148 118.710 119.800 0.098 0.000 2.119 151 Q HA -0.147 4.193 4.340 -0.001 0.000 0.201 151 Q C 2.099 178.203 176.000 0.172 0.000 0.972 151 Q CA 1.906 57.867 55.803 0.263 0.000 0.847 151 Q CB -0.145 28.724 28.738 0.219 0.000 0.903 151 Q HN 0.549 nan 8.270 nan 0.000 0.433 152 T N 0.895 115.487 114.554 0.064 0.000 2.821 152 T HA -0.100 4.249 4.350 -0.001 0.000 0.267 152 T C 1.977 176.703 174.700 0.043 0.000 1.046 152 T CA 1.033 63.164 62.100 0.051 0.000 1.139 152 T CB -0.260 68.597 68.868 -0.019 0.000 0.871 152 T HN 0.351 nan 8.240 nan 0.000 0.454 153 A N 2.134 124.940 122.820 -0.024 0.000 1.865 153 A HA -0.192 4.128 4.320 -0.001 0.000 0.217 153 A C 2.127 179.757 177.584 0.077 0.000 1.191 153 A CA 2.091 54.102 52.037 -0.043 0.000 0.623 153 A CB -1.057 17.884 19.000 -0.098 0.000 0.826 153 A HN 0.485 nan 8.150 nan 0.000 0.444 154 D N -2.060 118.459 120.400 0.199 0.000 2.263 154 D HA -0.190 4.450 4.640 -0.001 0.000 0.208 154 D C 1.658 178.137 176.300 0.298 0.000 0.971 154 D CA 1.504 55.690 54.000 0.309 0.000 0.867 154 D CB -0.155 40.961 40.800 0.526 0.000 0.929 154 D HN 0.693 nan 8.370 nan 0.000 0.492 155 H N -0.108 119.049 119.070 0.145 0.000 2.415 155 H HA 0.166 4.721 4.556 -0.001 0.000 0.297 155 H C 1.673 176.989 175.328 -0.021 0.000 1.048 155 H CA 1.136 57.239 56.048 0.092 0.000 1.365 155 H CB 0.301 30.102 29.762 0.066 0.000 1.421 155 H HN -0.018 nan 8.280 nan 0.000 0.533 156 K N 0.193 120.607 120.400 0.024 0.000 2.211 156 K HA -0.051 4.269 4.320 -0.001 0.000 0.203 156 K C 1.717 178.276 176.600 -0.068 0.000 1.050 156 K CA 1.337 57.629 56.287 0.008 0.000 0.945 156 K CB 0.184 32.757 32.500 0.122 0.000 0.732 156 K HN 0.286 nan 8.250 nan 0.000 0.451 157 V N -1.261 118.592 119.914 -0.102 0.000 3.510 157 V HA -0.067 4.052 4.120 -0.001 0.000 0.270 157 V C 0.310 176.197 176.094 -0.346 0.000 1.201 157 V CA 0.853 63.060 62.300 -0.156 0.000 1.166 157 V CB -1.096 30.648 31.823 -0.133 0.000 0.825 157 V HN 0.213 nan 8.190 nan 0.000 0.484 158 H N 0.445 119.341 119.070 -0.291 0.000 2.421 158 H HA 0.506 5.061 4.556 -0.001 0.000 0.241 158 H C -0.305 174.785 175.328 -0.397 0.000 1.428 158 H CA -0.278 55.574 56.048 -0.326 0.000 1.136 158 H CB -0.106 29.433 29.762 -0.372 0.000 1.612 158 H HN 0.406 nan 8.280 nan 0.000 0.537 159 H N -0.121 118.950 119.070 0.003 0.000 2.747 159 H HA 0.215 4.770 4.556 -0.001 0.000 0.371 159 H C 0.332 175.679 175.328 0.031 0.000 1.161 159 H CA -0.777 55.272 56.048 0.001 0.000 1.167 159 H CB 1.599 31.349 29.762 -0.020 0.000 1.732 159 H HN 0.411 nan 8.280 nan 0.000 0.544 160 T N -1.513 113.155 114.554 0.191 0.000 2.813 160 T HA 0.042 4.391 4.350 -0.001 0.000 0.297 160 T C 1.438 176.231 174.700 0.155 0.000 1.036 160 T CA -0.456 61.737 62.100 0.155 0.000 1.044 160 T CB 0.593 69.536 68.868 0.125 0.000 0.993 160 T HN 0.417 nan 8.240 nan 0.000 0.535 161 F N 0.607 120.585 119.950 0.047 0.000 2.126 161 F HA -0.045 4.482 4.527 -0.001 0.000 0.299 161 F C 2.114 177.925 175.800 0.017 0.000 1.096 161 F CA 1.289 59.308 58.000 0.032 0.000 1.255 161 F CB -0.237 38.775 39.000 0.020 0.000 0.997 161 F HN 0.449 nan 8.300 nan 0.000 0.479 162 I N 0.327 121.015 120.570 0.196 0.000 2.142 162 I HA -0.282 3.887 4.170 -0.001 0.000 0.240 162 I C 2.283 178.403 176.117 0.005 0.000 1.078 162 I CA 1.609 62.971 61.300 0.103 0.000 1.343 162 I CB -1.481 36.571 38.000 0.087 0.000 1.046 162 I HN 0.252 nan 8.210 nan 0.000 0.405 163 E N 0.853 121.050 120.200 -0.006 0.000 2.058 163 E HA -0.209 4.141 4.350 -0.001 0.000 0.194 163 E C 2.305 178.791 176.600 -0.191 0.000 0.997 163 E CA 1.517 57.868 56.400 -0.082 0.000 0.801 163 E CB -0.160 29.507 29.700 -0.055 0.000 0.746 163 E HN 0.503 nan 8.360 nan 0.000 0.450 164 A N 0.788 123.492 122.820 -0.193 0.000 1.933 164 A HA -0.139 4.180 4.320 -0.001 0.000 0.218 164 A C 2.471 179.928 177.584 -0.212 0.000 1.175 164 A CA 1.147 53.046 52.037 -0.229 0.000 0.628 164 A CB -0.519 18.363 19.000 -0.196 0.000 0.814 164 A HN 0.117 nan 8.150 nan 0.000 0.444 165 V N -1.132 118.645 119.914 -0.228 0.000 2.307 165 V HA -0.280 3.840 4.120 -0.001 0.000 0.245 165 V C 2.636 178.664 176.094 -0.110 0.000 1.045 165 V CA 1.918 64.120 62.300 -0.164 0.000 1.024 165 V CB -1.030 30.730 31.823 -0.105 0.000 0.651 165 V HN 0.701 nan 8.190 nan 0.000 0.449 166 C N -0.125 119.115 119.300 -0.101 0.000 2.413 166 C HA -0.134 4.326 4.460 -0.001 0.000 0.276 166 C C 2.607 177.509 174.990 -0.147 0.000 1.248 166 C CA 1.023 59.978 59.018 -0.105 0.000 1.742 166 C CB -1.095 26.596 27.740 -0.081 0.000 2.017 166 C HN 0.527 nan 8.230 nan 0.000 0.481 167 L N 0.341 121.482 121.223 -0.136 0.000 2.217 167 L HA 0.043 4.382 4.340 -0.001 0.000 0.211 167 L C 2.739 179.583 176.870 -0.043 0.000 1.107 167 L CA 1.417 56.198 54.840 -0.098 0.000 0.783 167 L CB -0.964 41.071 42.059 -0.040 0.000 0.919 167 L HN 0.484 nan 8.230 nan 0.000 0.442 168 G N 0.286 109.055 108.800 -0.051 0.000 2.403 168 G HA2 -0.149 3.810 3.960 -0.001 0.000 0.216 168 G HA3 -0.149 3.810 3.960 -0.001 0.000 0.216 168 G C 1.614 176.482 174.900 -0.053 0.000 1.154 168 G CA 0.296 45.386 45.100 -0.017 0.000 0.784 168 G HN 0.199 nan 8.290 nan 0.000 0.538 169 I N 0.303 120.816 120.570 -0.095 0.000 2.127 169 I HA -0.191 3.979 4.170 -0.001 0.000 0.241 169 I C 2.733 178.750 176.117 -0.167 0.000 1.075 169 I CA 0.947 62.177 61.300 -0.117 0.000 1.334 169 I CB -0.215 37.715 38.000 -0.117 0.000 1.040 169 I HN 0.133 nan 8.210 nan 0.000 0.405 170 L N 0.355 121.415 121.223 -0.272 0.000 2.079 170 L HA -0.226 4.113 4.340 -0.001 0.000 0.210 170 L C 2.740 179.461 176.870 -0.247 0.000 1.081 170 L CA 1.542 56.093 54.840 -0.481 0.000 0.752 170 L CB -0.738 40.608 42.059 -1.189 0.000 0.896 170 L HN 0.251 nan 8.230 nan 0.000 0.433 171 A N 0.052 122.849 122.820 -0.038 0.000 1.841 171 A HA -0.244 4.075 4.320 -0.001 0.000 0.214 171 A C 2.134 179.565 177.584 -0.256 0.000 1.195 171 A CA 2.108 54.162 52.037 0.029 0.000 0.611 171 A CB -0.763 18.381 19.000 0.239 0.000 0.835 171 A HN 0.426 nan 8.150 nan 0.000 0.443 172 N N -0.051 118.592 118.700 -0.095 0.000 2.309 172 N HA -0.103 4.637 4.740 -0.001 0.000 0.182 172 N C 1.588 177.016 175.510 -0.137 0.000 1.018 172 N CA 0.871 53.869 53.050 -0.087 0.000 0.876 172 N CB -0.302 38.149 38.487 -0.061 0.000 0.972 172 N HN 0.408 nan 8.380 nan 0.000 0.434 173 L N -0.007 121.137 121.223 -0.131 0.000 1.989 173 L HA -0.144 4.195 4.340 -0.001 0.000 0.211 173 L C 1.638 178.448 176.870 -0.101 0.000 1.071 173 L CA 1.698 56.468 54.840 -0.117 0.000 0.749 173 L CB -0.716 41.270 42.059 -0.123 0.000 0.890 173 L HN 0.228 nan 8.230 nan 0.000 0.431 174 M N -0.718 118.829 119.600 -0.089 0.000 2.175 174 M HA -0.118 4.362 4.480 -0.001 0.000 0.264 174 M C 2.325 178.569 176.300 -0.095 0.000 1.063 174 M CA 1.051 56.331 55.300 -0.032 0.000 1.119 174 M CB -1.175 31.495 32.600 0.117 0.000 1.377 174 M HN 0.147 nan 8.290 nan 0.000 0.415 175 V N -0.243 119.525 119.914 -0.244 0.000 2.407 175 V HA -0.293 3.827 4.120 -0.001 0.000 0.248 175 V C 2.561 178.587 176.094 -0.113 0.000 1.055 175 V CA 1.543 63.703 62.300 -0.232 0.000 1.049 175 V CB -0.916 30.681 31.823 -0.376 0.000 0.662 175 V HN 0.493 nan 8.190 nan 0.000 0.455 176 C N -0.375 118.871 119.300 -0.090 0.000 2.446 176 C HA -0.070 4.389 4.460 -0.001 0.000 0.277 176 C C 2.639 177.644 174.990 0.024 0.000 1.275 176 C CA 0.669 59.670 59.018 -0.029 0.000 1.727 176 C CB -1.040 26.672 27.740 -0.047 0.000 2.010 176 C HN 0.522 nan 8.230 nan 0.000 0.486 177 L N 1.075 122.290 121.223 -0.013 0.000 2.079 177 L HA -0.176 4.163 4.340 -0.001 0.000 0.210 177 L C 2.870 179.792 176.870 0.087 0.000 1.081 177 L CA 1.615 56.471 54.840 0.028 0.000 0.752 177 L CB -0.809 41.248 42.059 -0.004 0.000 0.896 177 L HN 0.360 nan 8.230 nan 0.000 0.433 178 A N -0.242 122.597 122.820 0.031 0.000 1.845 178 A HA -0.158 4.161 4.320 -0.001 0.000 0.215 178 A C 2.340 179.907 177.584 -0.028 0.000 1.195 178 A CA 1.829 53.875 52.037 0.015 0.000 0.616 178 A CB -0.946 18.054 19.000 -0.001 0.000 0.832 178 A HN 0.151 nan 8.150 nan 0.000 0.443 179 V N -0.941 118.927 119.914 -0.076 0.000 2.392 179 V HA -0.259 3.861 4.120 -0.001 0.000 0.249 179 V C 2.260 178.128 176.094 -0.377 0.000 1.059 179 V CA 1.864 64.027 62.300 -0.229 0.000 1.051 179 V CB -0.829 30.871 31.823 -0.205 0.000 0.658 179 V HN 0.833 nan 8.190 nan 0.000 0.455 180 W N 0.277 121.399 121.300 -0.296 0.000 2.355 180 W HA -0.181 4.479 4.660 -0.001 0.000 0.309 180 W C 2.262 178.720 176.519 -0.101 0.000 1.206 180 W CA 1.783 59.017 57.345 -0.184 0.000 1.284 180 W CB -0.315 29.121 29.460 -0.039 0.000 1.145 180 W HN 0.257 nan 8.180 nan 0.000 0.502 181 M N 0.501 120.211 119.600 0.184 0.000 2.460 181 M HA -0.169 4.311 4.480 -0.001 0.000 0.263 181 M C 2.363 178.646 176.300 -0.027 0.000 1.071 181 M CA 1.632 56.993 55.300 0.103 0.000 1.096 181 M CB -0.588 32.094 32.600 0.136 0.000 1.408 181 M HN -0.081 nan 8.290 nan 0.000 0.463 182 S N 0.015 115.645 115.700 -0.118 0.000 2.402 182 S HA -0.137 4.332 4.470 -0.001 0.000 0.229 182 S C 1.690 176.239 174.600 -0.085 0.000 1.021 182 S CA 1.031 59.153 58.200 -0.130 0.000 0.974 182 S CB -0.208 62.871 63.200 -0.203 0.000 0.800 182 S HN 0.453 nan 8.310 nan 0.000 0.484 183 Y N 1.998 122.219 120.300 -0.132 0.000 2.421 183 Y HA 0.180 4.729 4.550 -0.001 0.000 0.292 183 Y C 2.711 178.508 175.900 -0.171 0.000 1.136 183 Y CA 0.421 58.411 58.100 -0.183 0.000 1.255 183 Y CB -0.769 37.500 38.460 -0.317 0.000 0.991 183 Y HN 0.260 nan 8.280 nan 0.000 0.552 184 S N -0.746 114.944 115.700 -0.017 0.000 2.603 184 S HA 0.130 4.599 4.470 -0.001 0.000 0.220 184 S C 1.249 175.851 174.600 0.004 0.000 0.967 184 S CA 0.299 58.486 58.200 -0.022 0.000 0.920 184 S CB -0.363 62.824 63.200 -0.022 0.000 0.773 184 S HN 0.377 nan 8.310 nan 0.000 0.529 185 G N 1.175 109.985 108.800 0.017 0.000 2.339 185 G HA2 0.335 4.294 3.960 -0.001 0.000 0.287 185 G HA3 0.335 4.294 3.960 -0.001 0.000 0.287 185 G C 0.632 175.543 174.900 0.017 0.000 1.163 185 G CA -0.532 44.580 45.100 0.019 0.000 0.872 185 G HN 0.037 nan 8.290 nan 0.000 0.464 186 R N 1.379 121.885 120.500 0.010 0.000 2.052 186 R HA 0.001 4.341 4.340 -0.001 0.000 0.224 186 R C 2.014 178.317 176.300 0.005 0.000 1.165 186 R CA 1.051 57.154 56.100 0.005 0.000 0.939 186 R CB -1.081 29.219 30.300 0.000 0.000 0.834 186 R HN 0.642 nan 8.270 nan 0.000 0.435 187 S N 0.611 116.311 115.700 0.001 0.000 2.632 187 S HA 0.088 4.558 4.470 -0.001 0.000 0.267 187 S C 1.358 175.963 174.600 0.008 0.000 1.276 187 S CA -0.671 57.528 58.200 -0.002 0.000 0.998 187 S CB 0.927 64.118 63.200 -0.015 0.000 0.953 187 S HN 0.133 nan 8.310 nan 0.000 0.547 188 L N 0.655 121.883 121.223 0.008 0.000 2.042 188 L HA -0.014 4.325 4.340 -0.001 0.000 0.210 188 L C 2.384 179.277 176.870 0.038 0.000 1.076 188 L CA 1.831 56.683 54.840 0.020 0.000 0.749 188 L CB -1.137 40.931 42.059 0.014 0.000 0.893 188 L HN 0.841 nan 8.230 nan 0.000 0.432 189 M N -0.392 119.218 119.600 0.017 0.000 2.144 189 M HA -0.236 4.244 4.480 -0.001 0.000 0.260 189 M C 1.648 177.981 176.300 0.054 0.000 1.067 189 M CA 1.753 57.056 55.300 0.005 0.000 1.095 189 M CB -0.720 31.819 32.600 -0.102 0.000 1.365 189 M HN 0.309 nan 8.290 nan 0.000 0.406 190 D N -0.812 119.608 120.400 0.034 0.000 2.137 190 D HA -0.092 4.547 4.640 -0.001 0.000 0.202 190 D C 1.949 178.291 176.300 0.069 0.000 0.970 190 D CA 1.065 55.096 54.000 0.052 0.000 0.837 190 D CB -0.313 40.503 40.800 0.026 0.000 0.981 190 D HN 0.357 nan 8.370 nan 0.000 0.475 191 K N 0.428 120.859 120.400 0.051 0.000 2.103 191 K HA -0.059 4.261 4.320 -0.001 0.000 0.207 191 K C 1.907 178.532 176.600 0.041 0.000 1.048 191 K CA 1.316 57.624 56.287 0.035 0.000 0.930 191 K CB 0.042 32.559 32.500 0.028 0.000 0.716 191 K HN 0.076 nan 8.250 nan 0.000 0.444 192 A N 0.158 123.029 122.820 0.085 0.000 1.881 192 A HA 0.068 4.387 4.320 -0.001 0.000 0.210 192 A C 1.805 179.455 177.584 0.109 0.000 1.239 192 A CA 0.297 52.383 52.037 0.082 0.000 0.629 192 A CB -0.630 18.429 19.000 0.098 0.000 0.906 192 A HN 0.175 nan 8.150 nan 0.000 0.460 193 F N -0.392 119.555 119.950 -0.006 0.000 2.408 193 F HA -0.139 4.388 4.527 -0.000 0.000 0.300 193 F C 1.948 177.753 175.800 0.009 0.000 1.090 193 F CA 0.971 58.973 58.000 0.003 0.000 1.427 193 F CB 0.006 39.008 39.000 0.004 0.000 1.070 193 F HN 0.276 nan 8.300 nan 0.000 0.549 194 I N -0.126 120.537 120.570 0.155 0.000 2.286 194 I HA -0.250 3.919 4.170 -0.001 0.000 0.245 194 I C 2.119 178.267 176.117 0.052 0.000 1.104 194 I CA 1.592 62.949 61.300 0.095 0.000 1.397 194 I CB -0.287 37.758 38.000 0.075 0.000 1.072 194 I HN 0.035 nan 8.210 nan 0.000 0.417 195 M N -1.043 118.573 119.600 0.026 0.000 2.460 195 M HA -0.142 4.337 4.480 -0.001 0.000 0.263 195 M C 2.067 178.367 176.300 -0.001 0.000 1.071 195 M CA 0.809 56.114 55.300 0.007 0.000 1.096 195 M CB -0.179 32.411 32.600 -0.016 0.000 1.408 195 M HN 0.136 nan 8.290 nan 0.000 0.463 196 V N 0.489 120.378 119.914 -0.041 0.000 2.255 196 V HA -0.287 3.833 4.120 -0.001 0.000 0.247 196 V C 2.240 178.316 176.094 -0.030 0.000 1.051 196 V CA 1.618 63.870 62.300 -0.081 0.000 1.018 196 V CB -0.512 31.176 31.823 -0.226 0.000 0.641 196 V HN 0.337 nan 8.190 nan 0.000 0.445 197 L N -0.120 121.098 121.223 -0.008 0.000 2.017 197 L HA -0.074 4.265 4.340 -0.001 0.000 0.208 197 L C 0.011 176.903 176.870 0.037 0.000 1.073 197 L CA 2.402 57.249 54.840 0.011 0.000 0.745 197 L CB -2.098 39.977 42.059 0.027 0.000 0.894 197 L HN 0.320 nan 8.230 nan 0.000 0.432 198 P HA -0.075 nan 4.420 nan 0.000 0.220 198 P C 1.902 179.292 177.300 0.150 0.000 1.148 198 P CA 0.917 64.071 63.100 0.090 0.000 0.803 198 P CB 0.159 31.902 31.700 0.073 0.000 0.782 199 V N -0.024 119.979 119.914 0.148 0.000 2.426 199 V HA -0.073 4.046 4.120 -0.001 0.000 0.242 199 V C 2.481 178.642 176.094 0.112 0.000 1.036 199 V CA 1.707 64.177 62.300 0.282 0.000 1.044 199 V CB -1.691 30.292 31.823 0.267 0.000 0.688 199 V HN 0.051 nan 8.190 nan 0.000 0.462 200 A N 0.037 122.867 122.820 0.017 0.000 1.948 200 A HA -0.294 4.025 4.320 -0.001 0.000 0.220 200 A C 2.263 179.758 177.584 -0.149 0.000 1.177 200 A CA 2.477 54.464 52.037 -0.084 0.000 0.636 200 A CB -0.541 18.420 19.000 -0.065 0.000 0.815 200 A HN 0.438 nan 8.150 nan 0.000 0.449 201 M N -0.663 118.900 119.600 -0.063 0.000 2.123 201 M HA -0.063 4.416 4.480 -0.001 0.000 0.263 201 M C 2.135 178.341 176.300 -0.157 0.000 1.069 201 M CA 2.152 57.406 55.300 -0.076 0.000 1.133 201 M CB -0.725 31.894 32.600 0.032 0.000 1.356 201 M HN 0.595 nan 8.290 nan 0.000 0.415 202 F N 0.319 120.208 119.950 -0.101 0.000 2.333 202 F HA -0.062 4.465 4.527 -0.001 0.000 0.300 202 F C 1.448 177.043 175.800 -0.342 0.000 1.083 202 F CA 0.995 58.964 58.000 -0.052 0.000 1.395 202 F CB -0.903 38.181 39.000 0.140 0.000 1.056 202 F HN -0.039 nan 8.300 nan 0.000 0.529 203 V N 0.745 119.986 119.914 -1.122 0.000 2.436 203 V HA 0.038 4.157 4.120 -0.001 0.000 0.240 203 V C 2.834 178.486 176.094 -0.737 0.000 1.040 203 V CA 1.318 62.857 62.300 -1.268 0.000 1.052 203 V CB -0.941 30.099 31.823 -1.304 0.000 0.707 203 V HN 0.430 nan 8.190 nan 0.000 0.469 204 A N -0.521 121.997 122.820 -0.503 0.000 2.024 204 A HA -0.194 4.126 4.320 -0.001 0.000 0.220 204 A C 2.326 179.700 177.584 -0.350 0.000 1.164 204 A CA 2.200 54.027 52.037 -0.350 0.000 0.643 204 A CB -0.513 18.338 19.000 -0.248 0.000 0.806 204 A HN 0.483 nan 8.150 nan 0.000 0.451 205 S N -1.800 113.592 115.700 -0.513 0.000 2.527 205 S HA 0.322 4.792 4.470 -0.001 0.000 0.222 205 S C 1.367 175.629 174.600 -0.563 0.000 0.985 205 S CA 0.832 58.666 58.200 -0.609 0.000 0.921 205 S CB -0.085 62.434 63.200 -1.136 0.000 0.772 205 S HN 1.644 nan 8.310 nan 0.000 0.529 206 G N 1.485 109.996 108.800 -0.482 0.000 2.160 206 G HA2 -0.232 3.728 3.960 -0.001 0.000 0.244 206 G HA3 -0.232 3.728 3.960 -0.001 0.000 0.244 206 G C -0.124 174.783 174.900 0.012 0.000 1.022 206 G CA -0.357 44.629 45.100 -0.190 0.000 0.741 206 G HN 0.336 nan 8.290 nan 0.000 0.508 207 F N 0.575 120.526 119.950 0.001 0.000 2.410 207 F HA 0.470 4.997 4.527 -0.001 0.000 0.334 207 F C 0.975 176.914 175.800 0.232 0.000 1.134 207 F CA -1.457 56.631 58.000 0.147 0.000 1.227 207 F CB 0.613 39.784 39.000 0.285 0.000 1.194 207 F HN -0.001 nan 8.300 nan 0.000 0.571 208 E N 1.463 121.909 120.200 0.409 0.000 2.089 208 E HA 0.057 4.406 4.350 -0.001 0.000 0.284 208 E C -0.547 176.270 176.600 0.361 0.000 1.023 208 E CA -0.116 56.485 56.400 0.334 0.000 0.819 208 E CB 0.541 30.360 29.700 0.198 0.000 1.076 208 E HN 0.508 nan 8.360 nan 0.000 0.396 209 H N 2.513 121.786 119.070 0.338 0.000 2.541 209 H HA 0.067 4.623 4.556 -0.001 0.000 0.316 209 H C 1.173 176.656 175.328 0.258 0.000 1.043 209 H CA -0.099 56.098 56.048 0.247 0.000 1.232 209 H CB 1.044 30.954 29.762 0.246 0.000 1.406 209 H HN 0.486 nan 8.280 nan 0.000 0.469 210 S N 4.867 120.497 115.700 -0.116 0.000 2.380 210 S HA -0.192 4.277 4.470 -0.001 0.000 0.229 210 S C 1.894 176.505 174.600 0.019 0.000 1.043 210 S CA 1.064 59.258 58.200 -0.011 0.000 1.038 210 S CB -0.102 63.086 63.200 -0.021 0.000 0.872 210 S HN 0.591 nan 8.310 nan 0.000 0.456 211 I N 2.893 123.423 120.570 -0.067 0.000 2.315 211 I HA 0.008 4.177 4.170 -0.001 0.000 0.248 211 I C 2.975 179.287 176.117 0.326 0.000 1.117 211 I CA 0.893 62.252 61.300 0.099 0.000 1.404 211 I CB -2.065 36.029 38.000 0.156 0.000 1.071 211 I HN 0.458 nan 8.210 nan 0.000 0.419 212 A N 1.181 124.324 122.820 0.539 0.000 1.968 212 A HA -0.145 4.174 4.320 -0.001 0.000 0.217 212 A C 1.993 179.983 177.584 0.676 0.000 1.169 212 A CA 1.263 53.728 52.037 0.713 0.000 0.638 212 A CB -0.590 18.867 19.000 0.762 0.000 0.812 212 A HN 0.396 nan 8.150 nan 0.000 0.446 213 N N -0.148 118.837 118.700 0.474 0.000 2.309 213 N HA -0.088 4.651 4.740 -0.001 0.000 0.182 213 N C 1.521 177.108 175.510 0.127 0.000 1.018 213 N CA 1.220 54.434 53.050 0.273 0.000 0.876 213 N CB -0.505 38.181 38.487 0.332 0.000 0.972 213 N HN 0.512 nan 8.380 nan 0.000 0.434 214 M N -0.826 118.936 119.600 0.269 0.000 2.358 214 M HA -0.115 4.364 4.480 -0.001 0.000 0.264 214 M C 1.485 177.872 176.300 0.145 0.000 1.064 214 M CA 1.173 56.624 55.300 0.252 0.000 1.093 214 M CB -0.079 32.630 32.600 0.182 0.000 1.401 214 M HN 0.112 nan 8.290 nan 0.000 0.440 215 F N -0.142 119.841 119.950 0.056 0.000 2.274 215 F HA -0.053 4.474 4.527 -0.001 0.000 0.288 215 F C 2.095 177.836 175.800 -0.100 0.000 1.069 215 F CA 0.766 58.788 58.000 0.038 0.000 1.343 215 F CB -0.221 38.890 39.000 0.185 0.000 1.089 215 F HN -0.015 nan 8.300 nan 0.000 0.517 216 M N 1.266 120.725 119.600 -0.234 0.000 2.086 216 M HA -0.104 4.376 4.480 -0.001 0.000 0.261 216 M C 1.883 177.870 176.300 -0.523 0.000 1.067 216 M CA 1.935 56.911 55.300 -0.540 0.000 1.116 216 M CB -0.978 31.177 32.600 -0.743 0.000 1.348 216 M HN 0.298 nan 8.290 nan 0.000 0.407 217 I N -0.184 120.071 120.570 -0.525 0.000 2.202 217 I HA -0.183 3.987 4.170 -0.001 0.000 0.242 217 I C -0.617 175.175 176.117 -0.542 0.000 1.091 217 I CA 1.097 62.063 61.300 -0.556 0.000 1.368 217 I CB -2.046 35.475 38.000 -0.798 0.000 1.058 217 I HN 0.215 nan 8.210 nan 0.000 0.410 218 P HA -0.175 nan 4.420 nan 0.000 0.217 218 P C 1.768 178.843 177.300 -0.376 0.000 1.150 218 P CA 1.315 64.172 63.100 -0.404 0.000 0.832 218 P CB -0.016 31.495 31.700 -0.316 0.000 0.787 219 M N -0.242 119.051 119.600 -0.512 0.000 2.175 219 M HA 0.013 4.493 4.480 -0.001 0.000 0.264 219 M C 1.930 178.044 176.300 -0.309 0.000 1.063 219 M CA 1.956 56.965 55.300 -0.486 0.000 1.119 219 M CB -1.650 30.456 32.600 -0.824 0.000 1.377 219 M HN -0.123 nan 8.290 nan 0.000 0.415 220 G N 0.129 108.748 108.800 -0.302 0.000 2.418 220 G HA2 -0.158 3.802 3.960 -0.001 0.000 0.217 220 G HA3 -0.158 3.802 3.960 -0.001 0.000 0.217 220 G C 1.592 176.411 174.900 -0.135 0.000 1.158 220 G CA 1.119 46.098 45.100 -0.201 0.000 0.771 220 G HN 0.530 nan 8.290 nan 0.000 0.545 221 I N 0.326 120.812 120.570 -0.140 0.000 2.127 221 I HA -0.183 3.986 4.170 -0.001 0.000 0.241 221 I C 2.813 178.896 176.117 -0.056 0.000 1.075 221 I CA 0.679 61.941 61.300 -0.062 0.000 1.334 221 I CB -0.457 37.502 38.000 -0.069 0.000 1.040 221 I HN 0.024 nan 8.210 nan 0.000 0.405 222 V N 1.312 121.110 119.914 -0.194 0.000 2.282 222 V HA -0.316 3.803 4.120 -0.001 0.000 0.249 222 V C 2.338 178.190 176.094 -0.405 0.000 1.057 222 V CA 2.073 64.133 62.300 -0.400 0.000 1.032 222 V CB -0.419 31.001 31.823 -0.672 0.000 0.645 222 V HN 0.331 nan 8.190 nan 0.000 0.447 223 I N -0.583 119.830 120.570 -0.262 0.000 2.179 223 I HA -0.242 3.927 4.170 -0.001 0.000 0.242 223 I C 2.767 178.910 176.117 0.045 0.000 1.088 223 I CA 1.705 62.955 61.300 -0.084 0.000 1.357 223 I CB -0.461 37.534 38.000 -0.009 0.000 1.051 223 I HN 0.225 nan 8.210 nan 0.000 0.409 224 R N 0.844 121.430 120.500 0.143 0.000 2.115 224 R HA -0.175 4.165 4.340 -0.001 0.000 0.230 224 R C 1.301 177.865 176.300 0.442 0.000 1.111 224 R CA 1.807 58.182 56.100 0.457 0.000 0.976 224 R CB -0.144 30.348 30.300 0.320 0.000 0.870 224 R HN 0.305 nan 8.270 nan 0.000 0.445 225 D N -1.172 119.365 120.400 0.227 0.000 2.305 225 D HA -0.007 4.632 4.640 -0.001 0.000 0.206 225 D C 0.415 176.612 176.300 -0.171 0.000 0.974 225 D CA 0.890 54.923 54.000 0.054 0.000 0.871 225 D CB 0.234 41.050 40.800 0.026 0.000 0.947 225 D HN 0.249 nan 8.370 nan 0.000 0.516 226 F N -0.214 119.683 119.950 -0.090 0.000 2.781 226 F HA 0.426 4.953 4.527 -0.001 0.000 0.322 226 F C 0.656 176.542 175.800 0.143 0.000 1.108 226 F CA -0.619 57.321 58.000 -0.100 0.000 1.179 226 F CB 0.540 39.225 39.000 -0.525 0.000 1.072 226 F HN -0.219 nan 8.300 nan 0.000 0.545 227 A N 0.929 123.951 122.820 0.336 0.000 2.371 227 A HA 0.485 4.804 4.320 -0.001 0.000 0.257 227 A C 0.663 178.441 177.584 0.324 0.000 1.089 227 A CA -0.153 52.062 52.037 0.297 0.000 0.794 227 A CB 0.150 19.055 19.000 -0.159 0.000 1.029 227 A HN 0.291 nan 8.150 nan 0.000 0.488 228 S N 2.112 118.025 115.700 0.355 0.000 2.593 228 S HA 0.307 4.776 4.470 -0.001 0.000 0.269 228 S C -1.881 172.899 174.600 0.301 0.000 1.334 228 S CA -0.650 57.728 58.200 0.297 0.000 1.015 228 S CB 0.501 63.848 63.200 0.245 0.000 0.912 228 S HN 0.437 nan 8.310 nan 0.000 0.541 229 P HA -0.068 nan 4.420 nan 0.000 0.215 229 P C 1.069 178.499 177.300 0.216 0.000 1.153 229 P CA 1.216 64.496 63.100 0.299 0.000 0.853 229 P CB -0.036 31.785 31.700 0.202 0.000 0.788 230 E N -1.277 119.014 120.200 0.151 0.000 2.085 230 E HA -0.194 4.155 4.350 -0.001 0.000 0.194 230 E C 1.727 178.367 176.600 0.067 0.000 0.994 230 E CA 1.032 57.486 56.400 0.090 0.000 0.801 230 E CB -1.244 28.492 29.700 0.060 0.000 0.743 230 E HN 0.278 nan 8.360 nan 0.000 0.453 231 F N -0.508 119.379 119.950 -0.105 0.000 2.060 231 F HA -0.139 4.388 4.527 -0.001 0.000 0.295 231 F C 1.748 177.470 175.800 -0.129 0.000 1.120 231 F CA 1.481 59.322 58.000 -0.265 0.000 1.205 231 F CB -0.762 37.932 39.000 -0.510 0.000 0.986 231 F HN 0.039 nan 8.300 nan 0.000 0.470 232 W N 0.642 121.849 121.300 -0.155 0.000 2.321 232 W HA -0.221 4.439 4.660 -0.001 0.000 0.306 232 W C 2.524 178.933 176.519 -0.184 0.000 1.217 232 W CA 1.565 58.767 57.345 -0.239 0.000 1.257 232 W CB -1.057 28.422 29.460 0.032 0.000 1.145 232 W HN -0.056 nan 8.180 nan 0.000 0.509 233 T N -0.277 114.355 114.554 0.129 0.000 2.904 233 T HA -0.084 4.265 4.350 -0.001 0.000 0.267 233 T C 1.912 176.611 174.700 -0.001 0.000 1.059 233 T CA 1.444 63.586 62.100 0.070 0.000 1.137 233 T CB -0.452 68.463 68.868 0.078 0.000 0.879 233 T HN 0.219 nan 8.240 nan 0.000 0.467 234 A N 1.333 124.118 122.820 -0.058 0.000 1.935 234 A HA 0.078 4.397 4.320 -0.001 0.000 0.214 234 A C 2.519 180.045 177.584 -0.096 0.000 1.178 234 A CA 1.195 53.191 52.037 -0.069 0.000 0.640 234 A CB -0.633 18.325 19.000 -0.070 0.000 0.825 234 A HN 0.457 nan 8.150 nan 0.000 0.447 235 V N -3.102 116.695 119.914 -0.195 0.000 3.129 235 V HA 0.433 4.552 4.120 -0.001 0.000 0.259 235 V C 1.192 177.249 176.094 -0.061 0.000 1.116 235 V CA 0.441 62.641 62.300 -0.167 0.000 1.127 235 V CB -1.419 30.197 31.823 -0.344 0.000 0.742 235 V HN 1.647 nan 8.190 nan 0.000 0.474 236 G N -0.304 108.478 108.800 -0.031 0.000 2.636 236 G HA2 0.031 3.991 3.960 -0.001 0.000 0.261 236 G HA3 0.031 3.991 3.960 -0.001 0.000 0.261 236 G C -0.215 174.726 174.900 0.068 0.000 1.018 236 G CA 0.450 45.562 45.100 0.020 0.000 1.308 236 G HN 1.296 nan 8.290 nan 0.000 0.514 237 S N -0.897 114.874 115.700 0.118 0.000 2.688 237 S HA 0.956 5.426 4.470 -0.001 0.000 0.266 237 S C -0.554 174.106 174.600 0.100 0.000 1.061 237 S CA 0.411 58.711 58.200 0.167 0.000 0.844 237 S CB 0.944 64.365 63.200 0.369 0.000 1.103 237 S HN 2.335 nan 8.310 nan 0.000 0.471 238 A N 1.394 124.113 122.820 -0.168 0.000 2.515 238 A HA 0.811 5.131 4.320 -0.001 0.000 0.298 238 A C -2.680 174.353 177.584 -0.920 0.000 1.059 238 A CA -1.514 50.160 52.037 -0.606 0.000 0.698 238 A CB 1.214 20.016 19.000 -0.329 0.000 1.289 238 A HN 0.452 nan 8.150 nan 0.000 0.404 239 P HA -0.164 nan 4.420 nan 0.000 0.220 239 P C 0.729 177.882 177.300 -0.244 0.000 1.144 239 P CA 1.518 64.171 63.100 -0.744 0.000 0.800 239 P CB 0.299 31.744 31.700 -0.424 0.000 0.772 240 E N -1.198 118.825 120.200 -0.294 0.000 2.268 240 E HA -0.107 4.242 4.350 -0.001 0.000 0.195 240 E C 1.404 177.877 176.600 -0.212 0.000 0.995 240 E CA 0.631 56.910 56.400 -0.202 0.000 0.836 240 E CB -0.730 28.860 29.700 -0.183 0.000 0.763 240 E HN 0.260 nan 8.360 nan 0.000 0.491 241 N N -0.474 118.057 118.700 -0.282 0.000 2.515 241 N HA -0.037 4.702 4.740 -0.001 0.000 0.185 241 N C -0.319 174.809 175.510 -0.637 0.000 1.109 241 N CA 0.621 53.385 53.050 -0.478 0.000 0.903 241 N CB 0.223 38.305 38.487 -0.675 0.000 0.969 241 N HN 0.153 nan 8.380 nan 0.000 0.450 242 F N -1.017 118.954 119.950 0.035 0.000 2.810 242 F HA 0.232 4.758 4.527 -0.001 0.000 0.353 242 F C 1.244 177.045 175.800 0.002 0.000 1.227 242 F CA -0.486 57.602 58.000 0.147 0.000 1.210 242 F CB -0.129 38.998 39.000 0.212 0.000 1.039 242 F HN -0.131 nan 8.300 nan 0.000 0.509 243 S N -1.603 114.008 115.700 -0.149 0.000 2.507 243 S HA -0.154 4.316 4.470 -0.001 0.000 0.235 243 S C 1.434 175.912 174.600 -0.203 0.000 0.988 243 S CA 0.907 58.983 58.200 -0.208 0.000 0.944 243 S CB -0.754 62.269 63.200 -0.296 0.000 0.762 243 S HN 0.524 nan 8.310 nan 0.000 0.526 244 H N 0.795 119.922 119.070 0.094 0.000 2.548 244 H HA 0.261 4.817 4.556 -0.001 0.000 0.268 244 H C 0.375 175.725 175.328 0.038 0.000 0.975 244 H CA 0.177 56.249 56.048 0.040 0.000 1.195 244 H CB -0.084 29.680 29.762 0.003 0.000 1.397 244 H HN 0.382 nan 8.280 nan 0.000 0.572 245 L N 3.513 124.858 121.223 0.203 0.000 2.395 245 L HA 0.093 4.433 4.340 -0.001 0.000 0.268 245 L C 0.556 177.485 176.870 0.099 0.000 1.223 245 L CA -0.225 54.703 54.840 0.146 0.000 1.093 245 L CB -0.051 42.109 42.059 0.169 0.000 1.349 245 L HN 0.199 nan 8.230 nan 0.000 0.427 246 T N -2.352 112.258 114.554 0.093 0.000 2.916 246 T HA 0.371 4.720 4.350 -0.001 0.000 0.292 246 T C 1.053 175.825 174.700 0.120 0.000 1.064 246 T CA -0.785 61.365 62.100 0.083 0.000 1.011 246 T CB 1.992 70.895 68.868 0.060 0.000 1.152 246 T HN -0.087 nan 8.240 nan 0.000 0.510 247 V N 1.722 121.705 119.914 0.115 0.000 2.295 247 V HA -0.135 3.984 4.120 -0.001 0.000 0.246 247 V C 2.776 178.951 176.094 0.134 0.000 1.049 247 V CA 2.650 65.047 62.300 0.161 0.000 1.024 247 V CB -1.002 30.892 31.823 0.120 0.000 0.648 247 V HN 0.988 nan 8.190 nan 0.000 0.447 248 M N 1.305 120.953 119.600 0.080 0.000 2.106 248 M HA -0.197 4.282 4.480 -0.001 0.000 0.259 248 M C 1.686 178.019 176.300 0.055 0.000 1.068 248 M CA 2.064 57.393 55.300 0.049 0.000 1.100 248 M CB -1.022 31.600 32.600 0.038 0.000 1.351 248 M HN 0.295 nan 8.290 nan 0.000 0.404 249 N N -0.057 118.692 118.700 0.082 0.000 2.106 249 N HA -0.128 4.611 4.740 -0.001 0.000 0.188 249 N C 1.532 177.121 175.510 0.132 0.000 1.029 249 N CA 1.656 54.756 53.050 0.083 0.000 0.848 249 N CB -0.809 37.721 38.487 0.073 0.000 1.007 249 N HN 0.540 nan 8.380 nan 0.000 0.423 250 F N 1.819 121.774 119.950 0.009 0.000 2.087 250 F HA -0.160 4.366 4.527 -0.001 0.000 0.299 250 F C 1.909 177.723 175.800 0.023 0.000 1.100 250 F CA 1.292 59.299 58.000 0.011 0.000 1.226 250 F CB -0.782 38.223 39.000 0.010 0.000 0.983 250 F HN 0.001 nan 8.300 nan 0.000 0.479 251 I N 0.019 120.440 120.570 -0.247 0.000 2.133 251 I HA -0.296 3.874 4.170 -0.001 0.000 0.238 251 I C 2.422 178.447 176.117 -0.154 0.000 1.074 251 I CA 2.034 63.111 61.300 -0.373 0.000 1.342 251 I CB -1.045 36.824 38.000 -0.219 0.000 1.053 251 I HN 0.284 nan 8.210 nan 0.000 0.404 252 T N -2.664 111.868 114.554 -0.037 0.000 2.942 252 T HA -0.046 4.303 4.350 -0.001 0.000 0.265 252 T C 1.378 176.128 174.700 0.083 0.000 1.062 252 T CA 0.883 63.008 62.100 0.042 0.000 1.139 252 T CB -0.256 68.645 68.868 0.055 0.000 0.883 252 T HN 0.147 nan 8.240 nan 0.000 0.468 253 D N 0.802 121.234 120.400 0.054 0.000 2.249 253 D HA 0.067 4.706 4.640 -0.001 0.000 0.205 253 D C 1.916 178.241 176.300 0.042 0.000 0.962 253 D CA 0.570 54.607 54.000 0.062 0.000 0.860 253 D CB 0.015 40.835 40.800 0.033 0.000 0.955 253 D HN 0.489 nan 8.370 nan 0.000 0.505 254 N N -0.562 118.160 118.700 0.038 0.000 3.013 254 N HA -0.056 4.683 4.740 -0.001 0.000 0.250 254 N C 1.549 177.058 175.510 -0.002 0.000 0.997 254 N CA -0.206 52.887 53.050 0.072 0.000 1.052 254 N CB -0.244 38.386 38.487 0.238 0.000 1.663 254 N HN -0.083 nan 8.380 nan 0.000 0.641 255 L N 2.342 123.501 121.223 -0.108 0.000 1.989 255 L HA 0.042 4.382 4.340 -0.001 0.000 0.211 255 L C 2.333 179.141 176.870 -0.104 0.000 1.071 255 L CA 1.356 56.094 54.840 -0.169 0.000 0.749 255 L CB -1.006 40.727 42.059 -0.544 0.000 0.890 255 L HN 0.246 nan 8.230 nan 0.000 0.431 256 I N -0.347 120.158 120.570 -0.108 0.000 2.118 256 I HA -0.256 3.913 4.170 -0.001 0.000 0.241 256 I C -0.508 175.541 176.117 -0.113 0.000 1.070 256 I CA 1.960 63.230 61.300 -0.050 0.000 1.327 256 I CB -1.382 36.659 38.000 0.069 0.000 1.034 256 I HN 0.264 nan 8.210 nan 0.000 0.405 257 P HA -0.043 nan 4.420 nan 0.000 0.218 257 P C 1.981 179.114 177.300 -0.279 0.000 1.152 257 P CA 0.983 63.720 63.100 -0.605 0.000 0.826 257 P CB 0.041 31.072 31.700 -1.116 0.000 0.790 258 V N -0.278 119.543 119.914 -0.156 0.000 2.407 258 V HA -0.218 3.901 4.120 -0.001 0.000 0.248 258 V C 2.313 178.392 176.094 -0.025 0.000 1.055 258 V CA 2.437 64.705 62.300 -0.053 0.000 1.049 258 V CB -1.820 30.026 31.823 0.037 0.000 0.662 258 V HN 0.188 nan 8.190 nan 0.000 0.455 259 T N 0.147 114.692 114.554 -0.016 0.000 2.737 259 T HA -0.109 4.241 4.350 -0.001 0.000 0.265 259 T C 1.862 176.572 174.700 0.018 0.000 1.038 259 T CA 1.666 63.786 62.100 0.033 0.000 1.144 259 T CB -0.261 68.603 68.868 -0.006 0.000 0.866 259 T HN 0.311 nan 8.240 nan 0.000 0.434 260 I N 1.169 121.728 120.570 -0.019 0.000 2.151 260 I HA -0.191 3.979 4.170 -0.001 0.000 0.243 260 I C 2.847 178.953 176.117 -0.019 0.000 1.080 260 I CA 1.480 62.779 61.300 -0.002 0.000 1.339 260 I CB -0.686 37.327 38.000 0.022 0.000 1.039 260 I HN 0.337 nan 8.210 nan 0.000 0.409 261 G N 0.316 109.087 108.800 -0.048 0.000 2.440 261 G HA2 -0.296 3.664 3.960 -0.001 0.000 0.218 261 G HA3 -0.296 3.664 3.960 -0.001 0.000 0.218 261 G C 1.352 176.218 174.900 -0.057 0.000 1.154 261 G CA 1.300 46.365 45.100 -0.057 0.000 0.767 261 G HN 0.478 nan 8.290 nan 0.000 0.552 262 N N 0.137 118.813 118.700 -0.040 0.000 2.104 262 N HA -0.071 4.668 4.740 -0.001 0.000 0.190 262 N C 2.127 177.544 175.510 -0.154 0.000 1.024 262 N CA 0.945 53.957 53.050 -0.063 0.000 0.853 262 N CB -0.167 38.328 38.487 0.014 0.000 1.008 262 N HN 0.333 nan 8.380 nan 0.000 0.424 263 I N 0.801 121.291 120.570 -0.135 0.000 2.439 263 I HA -0.160 4.010 4.170 -0.001 0.000 0.251 263 I C 1.862 177.922 176.117 -0.096 0.000 1.139 263 I CA 0.798 61.967 61.300 -0.219 0.000 1.438 263 I CB -0.100 37.842 38.000 -0.097 0.000 1.085 263 I HN 0.141 nan 8.210 nan 0.000 0.427 264 I N 0.665 121.202 120.570 -0.054 0.000 2.439 264 I HA -0.147 4.022 4.170 -0.001 0.000 0.251 264 I C 2.546 178.626 176.117 -0.063 0.000 1.139 264 I CA 1.356 62.633 61.300 -0.037 0.000 1.438 264 I CB -0.780 37.204 38.000 -0.026 0.000 1.085 264 I HN 0.259 nan 8.210 nan 0.000 0.427 265 G N 0.363 109.109 108.800 -0.090 0.000 2.534 265 G HA2 -0.065 3.894 3.960 -0.001 0.000 0.217 265 G HA3 -0.065 3.894 3.960 -0.001 0.000 0.217 265 G C 1.517 176.353 174.900 -0.107 0.000 1.128 265 G CA 0.770 45.809 45.100 -0.102 0.000 0.784 265 G HN 0.497 nan 8.290 nan 0.000 0.542 266 G N 0.586 109.312 108.800 -0.123 0.000 2.564 266 G HA2 0.224 4.183 3.960 -0.001 0.000 0.212 266 G HA3 0.224 4.183 3.960 -0.001 0.000 0.212 266 G C 1.732 176.631 174.900 -0.001 0.000 1.199 266 G CA 0.903 45.949 45.100 -0.090 0.000 0.832 266 G HN 0.384 nan 8.290 nan 0.000 0.565 267 G N 0.644 109.477 108.800 0.055 0.000 2.535 267 G HA2 -0.087 3.873 3.960 -0.001 0.000 0.218 267 G HA3 -0.087 3.873 3.960 -0.001 0.000 0.218 267 G C 1.692 176.582 174.900 -0.017 0.000 1.122 267 G CA 0.936 46.073 45.100 0.063 0.000 0.769 267 G HN 0.442 nan 8.290 nan 0.000 0.549 268 L N -0.643 120.559 121.223 -0.034 0.000 2.049 268 L HA 0.217 4.556 4.340 -0.001 0.000 0.203 268 L C 2.575 179.402 176.870 -0.072 0.000 1.074 268 L CA 0.853 55.660 54.840 -0.054 0.000 0.749 268 L CB -0.188 41.837 42.059 -0.057 0.000 0.907 268 L HN 0.101 nan 8.230 nan 0.000 0.439 269 L N -0.480 120.692 121.223 -0.085 0.000 2.141 269 L HA -0.162 4.178 4.340 -0.001 0.000 0.209 269 L C 2.553 179.366 176.870 -0.094 0.000 1.094 269 L CA 0.867 55.636 54.840 -0.119 0.000 0.763 269 L CB -0.400 41.560 42.059 -0.165 0.000 0.908 269 L HN 0.217 nan 8.230 nan 0.000 0.437 270 V N 0.399 120.277 119.914 -0.059 0.000 2.220 270 V HA -0.321 3.799 4.120 -0.001 0.000 0.250 270 V C 2.632 178.682 176.094 -0.074 0.000 1.056 270 V CA 2.297 64.562 62.300 -0.057 0.000 1.016 270 V CB -1.431 30.350 31.823 -0.070 0.000 0.639 270 V HN 0.586 nan 8.190 nan 0.000 0.446 271 G N -0.351 108.382 108.800 -0.113 0.000 2.586 271 G HA2 -0.318 3.641 3.960 -0.001 0.000 0.218 271 G HA3 -0.318 3.641 3.960 -0.001 0.000 0.218 271 G C 1.525 176.356 174.900 -0.115 0.000 1.216 271 G CA 1.531 46.530 45.100 -0.168 0.000 0.786 271 G HN 0.414 nan 8.290 nan 0.000 0.583 272 L N 0.523 121.705 121.223 -0.069 0.000 1.941 272 L HA -0.134 4.205 4.340 -0.001 0.000 0.224 272 L C 2.989 179.866 176.870 0.012 0.000 1.081 272 L CA 3.142 57.969 54.840 -0.021 0.000 0.784 272 L CB -1.238 40.795 42.059 -0.044 0.000 0.894 272 L HN 0.268 nan 8.230 nan 0.000 0.436 273 T N -1.088 113.449 114.554 -0.027 0.000 2.649 273 T HA -0.327 4.022 4.350 -0.001 0.000 0.268 273 T C 1.566 176.347 174.700 0.134 0.000 1.036 273 T CA 2.073 64.175 62.100 0.003 0.000 1.157 273 T CB -0.702 68.118 68.868 -0.081 0.000 0.861 273 T HN 0.544 nan 8.240 nan 0.000 0.445 274 Y N 0.791 121.081 120.300 -0.017 0.000 1.977 274 Y HA -0.273 4.277 4.550 -0.001 0.000 0.264 274 Y C 2.082 178.104 175.900 0.203 0.000 1.167 274 Y CA 1.438 59.542 58.100 0.007 0.000 1.102 274 Y CB -0.945 37.378 38.460 -0.228 0.000 0.948 274 Y HN 0.285 nan 8.280 nan 0.000 0.489 275 W N -0.227 120.910 121.300 -0.271 0.000 2.425 275 W HA -0.088 4.572 4.660 -0.001 0.000 0.277 275 W C 2.616 179.098 176.519 -0.062 0.000 1.231 275 W CA 1.297 58.438 57.345 -0.341 0.000 1.248 275 W CB -1.261 28.018 29.460 -0.302 0.000 1.117 275 W HN 0.005 nan 8.180 nan 0.000 0.568 276 V N 1.244 121.272 119.914 0.190 0.000 2.231 276 V HA -0.312 3.808 4.120 -0.001 0.000 0.248 276 V C 1.925 178.098 176.094 0.131 0.000 1.054 276 V CA 1.983 64.362 62.300 0.130 0.000 1.015 276 V CB -0.857 31.021 31.823 0.091 0.000 0.638 276 V HN 0.026 nan 8.190 nan 0.000 0.444 277 I N -1.457 119.209 120.570 0.159 0.000 3.646 277 I HA -0.086 4.084 4.170 -0.001 0.000 0.301 277 I C 1.914 178.125 176.117 0.158 0.000 1.276 277 I CA 0.892 62.283 61.300 0.151 0.000 1.254 277 I CB -0.450 37.656 38.000 0.175 0.000 1.020 277 I HN 0.397 nan 8.210 nan 0.000 0.473 278 Y N 0.902 121.213 120.300 0.017 0.000 2.509 278 Y HA 0.154 4.703 4.550 -0.001 0.000 0.270 278 Y C 1.834 177.691 175.900 -0.073 0.000 1.103 278 Y CA 0.646 58.724 58.100 -0.037 0.000 1.278 278 Y CB 0.467 38.816 38.460 -0.184 0.000 1.087 278 Y HN -0.021 nan 8.280 nan 0.000 0.542 279 L N 0.182 121.429 121.223 0.040 0.000 2.040 279 L HA 0.171 4.511 4.340 -0.001 0.000 0.208 279 L C 1.790 178.615 176.870 -0.076 0.000 1.186 279 L CA 0.761 55.566 54.840 -0.058 0.000 1.017 279 L CB -0.794 41.252 42.059 -0.021 0.000 1.011 279 L HN 0.096 nan 8.230 nan 0.000 0.561 280 R N 0.000 120.482 120.500 -0.030 0.000 2.786 280 R HA 0.000 4.339 4.340 -0.001 0.000 0.208 280 R CA 0.000 56.085 56.100 -0.024 0.000 0.921 280 R CB 0.000 30.293 30.300 -0.012 0.000 0.687 280 R HN 0.000 nan 8.270 nan 0.000 0.535