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 1r47_1_A DATA FIRST_RESID 32 DATA SEQUENCE LDNGLARTPT MGWLHWERFM cNLDcQEEPD ScISEKLFME MAELMVSEGW DATA SEQUENCE KDAGYEYLCI DDcWMAPQRD SEGRLQADPQ RFPHGIRQLA NYVHSKGLKL DATA SEQUENCE GIYADVGNKT cAGFPGSFGY YDIDAQTFAD WGVDLLKFDG cYCDSLENLA DATA SEQUENCE DGYKHMSLAL NRTGRSIVYS cEWPLYMWPF QKPNYTEIRQ YcNHWRNFAD DATA SEQUENCE IDDSWKSIKS ILDWTSFNQE RIVDVAGPGG WNDPDMLVIG NFGLSWNQQV DATA SEQUENCE TQMALWAIMA APLFMSNDLR HISPQAKALL QDKDVIAINQ DPLGKQGYQL DATA SEQUENCE RQGDNFEVWE RPLSGLAWAV AMINRQEIGG PRSYTIAVAS LGKGVAcNPA DATA SEQUENCE cFITQLLPVK RKLGFYEWTS RLRSHINPTG TVLLQLENTM 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 32 L HA 0.000 nan 4.340 nan 0.000 0.249 32 L C 0.000 176.885 176.870 0.026 0.000 1.165 32 L CA 0.000 54.885 54.840 0.075 0.000 0.813 32 L CB 0.000 42.155 42.059 0.161 0.000 0.961 33 D N 3.339 123.740 120.400 0.002 0.000 2.551 33 D HA 0.135 4.775 4.640 -0.000 0.000 0.223 33 D C -0.034 176.276 176.300 0.016 0.000 1.144 33 D CA 0.084 54.082 54.000 -0.003 0.000 1.025 33 D CB 0.356 41.145 40.800 -0.018 0.000 1.085 33 D HN 0.695 nan 8.370 nan 0.000 0.506 34 N N 1.168 119.887 118.700 0.033 0.000 2.200 34 N HA 0.150 4.890 4.740 -0.000 0.000 0.224 34 N C 1.221 176.761 175.510 0.051 0.000 1.179 34 N CA -0.024 53.052 53.050 0.043 0.000 0.877 34 N CB 0.609 39.131 38.487 0.058 0.000 1.072 34 N HN 0.266 nan 8.380 nan 0.000 0.519 35 G N 0.127 108.954 108.800 0.046 0.000 2.179 35 G HA2 -0.258 3.701 3.960 -0.000 0.000 0.257 35 G HA3 -0.258 3.701 3.960 -0.000 0.000 0.257 35 G C -0.525 174.425 174.900 0.085 0.000 1.010 35 G CA 0.543 45.677 45.100 0.057 0.000 0.736 35 G HN 0.358 nan 8.290 nan 0.000 0.513 36 L N -1.277 120.001 121.223 0.092 0.000 2.333 36 L HA 0.681 5.020 4.340 -0.000 0.000 0.269 36 L C 1.192 178.158 176.870 0.159 0.000 1.010 36 L CA -0.588 54.331 54.840 0.131 0.000 0.818 36 L CB 1.949 44.084 42.059 0.127 0.000 1.306 36 L HN 1.224 nan 8.230 nan 0.000 0.430 37 A N 1.616 124.577 122.820 0.235 0.000 2.667 37 A HA -0.159 4.161 4.320 -0.000 0.000 0.298 37 A C 0.913 178.771 177.584 0.458 0.000 1.483 37 A CA 0.367 52.642 52.037 0.396 0.000 0.738 37 A CB -1.134 18.123 19.000 0.428 0.000 1.067 37 A HN 0.718 nan 8.150 nan 0.000 0.451 38 R N 0.020 120.720 120.500 0.333 0.000 2.320 38 R HA 0.139 4.479 4.340 -0.000 0.000 0.211 38 R C 0.722 177.310 176.300 0.480 0.000 0.931 38 R CA 1.184 57.464 56.100 0.300 0.000 1.071 38 R CB -0.826 29.579 30.300 0.176 0.000 1.025 38 R HN 1.315 nan 8.270 nan 0.000 0.495 39 T N -3.431 111.451 114.554 0.547 0.000 2.942 39 T HA 0.384 4.733 4.350 -0.000 0.000 0.327 39 T C -3.197 171.428 174.700 -0.125 0.000 1.360 39 T CA -2.226 60.008 62.100 0.223 0.000 1.055 39 T CB 2.897 71.805 68.868 0.066 0.000 1.261 39 T HN -0.297 nan 8.240 nan 0.000 0.485 40 P HA 0.125 nan 4.420 nan 0.000 0.260 40 P C 0.197 177.328 177.300 -0.282 0.000 1.172 40 P CA 0.319 62.824 63.100 -0.992 0.000 0.760 40 P CB -0.087 31.081 31.700 -0.887 0.000 0.773 41 T N 5.197 119.721 114.554 -0.049 0.000 2.946 41 T HA 0.165 4.514 4.350 -0.000 0.000 0.311 41 T C 0.504 175.263 174.700 0.099 0.000 1.063 41 T CA 0.351 62.533 62.100 0.137 0.000 1.139 41 T CB -0.133 68.932 68.868 0.328 0.000 0.994 41 T HN 0.285 nan 8.240 nan 0.000 0.547 42 M N 2.549 122.161 119.600 0.019 0.000 2.253 42 M HA 0.621 5.100 4.480 -0.000 0.000 0.314 42 M C 0.511 176.710 176.300 -0.169 0.000 1.019 42 M CA -0.529 54.684 55.300 -0.144 0.000 0.932 42 M CB 2.282 34.711 32.600 -0.285 0.000 1.606 42 M HN 0.906 nan 8.290 nan 0.000 0.430 43 G N 1.699 110.231 108.800 -0.445 0.000 2.500 43 G HA2 0.492 4.452 3.960 -0.000 0.000 0.299 43 G HA3 0.492 4.452 3.960 -0.000 0.000 0.299 43 G C -2.965 171.792 174.900 -0.237 0.000 1.242 43 G CA -0.574 44.330 45.100 -0.327 0.000 0.859 43 G HN 0.700 nan 8.290 nan 0.000 0.481 44 W N 0.017 121.187 121.300 -0.218 0.000 2.915 44 W HA 0.817 5.477 4.660 -0.000 0.000 0.337 44 W C -1.573 175.105 176.519 0.266 0.000 1.102 44 W CA -0.936 56.395 57.345 -0.023 0.000 1.224 44 W CB 1.838 31.247 29.460 -0.084 0.000 1.416 44 W HN 0.454 nan 8.180 nan 0.000 0.503 45 L N 6.039 127.052 121.223 -0.351 0.000 2.439 45 L HA 0.209 4.549 4.340 -0.000 0.000 0.270 45 L C 0.996 177.342 176.870 -0.874 0.000 0.972 45 L CA -0.701 54.000 54.840 -0.231 0.000 0.836 45 L CB 1.605 43.746 42.059 0.137 0.000 1.255 45 L HN 0.915 nan 8.230 nan 0.000 0.404 46 H N 3.532 122.153 119.070 -0.748 0.000 2.489 46 H HA -0.174 4.381 4.556 -0.000 0.000 0.293 46 H C 1.505 176.820 175.328 -0.022 0.000 1.066 46 H CA 1.573 57.279 56.048 -0.570 0.000 1.305 46 H CB -0.039 29.663 29.762 -0.100 0.000 1.386 46 H HN 0.726 nan 8.280 nan 0.000 0.551 47 W N 2.063 122.885 121.300 -0.796 0.000 2.208 47 W HA -0.329 4.331 4.660 -0.000 0.000 0.329 47 W C 2.355 178.776 176.519 -0.163 0.000 1.277 47 W CA 2.085 59.136 57.345 -0.490 0.000 1.134 47 W CB -0.454 28.823 29.460 -0.305 0.000 1.128 47 W HN 0.387 nan 8.180 nan 0.000 0.477 48 E N 0.662 120.719 120.200 -0.238 0.000 2.136 48 E HA -0.303 4.047 4.350 -0.000 0.000 0.202 48 E C 2.019 178.440 176.600 -0.300 0.000 1.019 48 E CA 2.073 58.302 56.400 -0.285 0.000 0.819 48 E CB -0.485 29.162 29.700 -0.088 0.000 0.739 48 E HN 0.103 nan 8.360 nan 0.000 0.458 49 R N -1.216 119.134 120.500 -0.250 0.000 2.193 49 R HA 0.005 4.345 4.340 -0.000 0.000 0.213 49 R C 1.267 177.119 176.300 -0.746 0.000 1.055 49 R CA 0.955 56.812 56.100 -0.406 0.000 0.995 49 R CB -0.181 29.918 30.300 -0.334 0.000 0.893 49 R HN 0.178 nan 8.270 nan 0.000 0.459 50 F N -1.578 118.313 119.950 -0.098 0.000 2.856 50 F HA 0.336 4.863 4.527 -0.000 0.000 0.338 50 F C 0.797 176.510 175.800 -0.144 0.000 1.100 50 F CA -0.312 57.668 58.000 -0.034 0.000 1.150 50 F CB 0.058 39.124 39.000 0.110 0.000 1.101 50 F HN -0.194 nan 8.300 nan 0.000 0.548 51 M N -0.837 118.521 119.600 -0.403 0.000 7.319 51 M HA -0.417 4.063 4.480 -0.000 0.000 0.081 51 M C 0.488 176.623 176.300 -0.276 0.000 0.480 51 M CA 1.593 56.291 55.300 -1.003 0.000 1.311 51 M CB -1.297 30.889 32.600 -0.689 0.000 0.421 51 M HN 0.237 nan 8.290 nan 0.000 0.206 52 c N 2.933 121.484 118.600 -0.082 0.000 2.494 52 c HA 0.365 4.935 4.570 -0.000 0.000 0.424 52 c C 0.124 174.324 174.090 0.184 0.000 1.188 52 c CA -0.684 55.814 56.329 0.282 0.000 1.620 52 c CB -1.752 41.013 42.510 0.425 0.000 1.706 52 c HN 0.490 nan 8.230 nan 0.000 0.543 53 N N 2.341 121.135 118.700 0.156 0.000 2.444 53 N HA 0.306 5.046 4.740 -0.000 0.000 0.271 53 N C 0.116 175.693 175.510 0.112 0.000 1.069 53 N CA -0.015 53.104 53.050 0.116 0.000 0.965 53 N CB 1.200 39.756 38.487 0.115 0.000 1.092 53 N HN 0.527 nan 8.380 nan 0.000 0.476 54 L N 1.859 123.138 121.223 0.095 0.000 2.878 54 L HA 0.232 4.572 4.340 -0.000 0.000 0.253 54 L C 0.521 177.417 176.870 0.042 0.000 1.135 54 L CA -0.034 54.853 54.840 0.078 0.000 0.943 54 L CB -0.157 41.971 42.059 0.115 0.000 1.307 54 L HN 0.428 nan 8.230 nan 0.000 0.545 55 D N 0.087 120.510 120.400 0.039 0.000 2.541 55 D HA 0.005 4.644 4.640 -0.000 0.000 0.231 55 D C 0.724 177.030 176.300 0.009 0.000 1.163 55 D CA 0.154 54.168 54.000 0.023 0.000 1.077 55 D CB 0.106 40.920 40.800 0.023 0.000 1.110 55 D HN 0.232 nan 8.370 nan 0.000 0.499 56 c N 2.744 121.341 118.600 -0.006 0.000 2.507 56 c HA 0.080 4.650 4.570 -0.000 0.000 0.301 56 c C 2.014 176.093 174.090 -0.018 0.000 1.351 56 c CA -0.528 55.788 56.329 -0.022 0.000 1.650 56 c CB -0.813 41.667 42.510 -0.049 0.000 1.676 56 c HN 0.547 nan 8.230 nan 0.000 0.594 57 Q N 1.079 120.874 119.800 -0.008 0.000 2.103 57 Q HA 0.011 4.350 4.340 -0.000 0.000 0.193 57 Q C 1.801 177.799 176.000 -0.002 0.000 0.986 57 Q CA 1.111 56.910 55.803 -0.006 0.000 0.834 57 Q CB -0.267 28.469 28.738 -0.002 0.000 0.915 57 Q HN 0.652 nan 8.270 nan 0.000 0.483 58 E N 0.544 120.746 120.200 0.003 0.000 2.481 58 E HA -0.018 4.332 4.350 -0.000 0.000 0.195 58 E C -0.375 176.231 176.600 0.010 0.000 1.047 58 E CA 0.231 56.634 56.400 0.005 0.000 0.867 58 E CB 0.408 30.112 29.700 0.006 0.000 0.858 58 E HN 0.223 nan 8.360 nan 0.000 0.513 59 E N 0.266 120.472 120.200 0.011 0.000 2.908 59 E HA 0.064 4.413 4.350 -0.000 0.000 0.291 59 E C -2.158 174.449 176.600 0.012 0.000 1.154 59 E CA -1.073 55.338 56.400 0.019 0.000 0.784 59 E CB 1.441 31.158 29.700 0.029 0.000 1.500 59 E HN -0.010 nan 8.360 nan 0.000 0.382 60 P HA 0.014 nan 4.420 nan 0.000 0.240 60 P C 0.048 177.330 177.300 -0.030 0.000 1.190 60 P CA 0.571 63.658 63.100 -0.021 0.000 0.781 60 P CB 0.664 32.350 31.700 -0.024 0.000 0.931 61 D N -0.596 119.801 120.400 -0.004 0.000 2.366 61 D HA 0.058 4.698 4.640 -0.000 0.000 0.205 61 D C 1.439 177.756 176.300 0.028 0.000 1.022 61 D CA 0.682 54.676 54.000 -0.010 0.000 0.868 61 D CB 0.317 41.125 40.800 0.013 0.000 0.953 61 D HN 0.135 nan 8.370 nan 0.000 0.514 62 S N 0.261 116.020 115.700 0.098 0.000 2.511 62 S HA 0.015 4.485 4.470 -0.000 0.000 0.214 62 S C 1.148 175.834 174.600 0.144 0.000 0.997 62 S CA -0.405 57.954 58.200 0.265 0.000 0.908 62 S CB 0.381 63.727 63.200 0.243 0.000 0.803 62 S HN 0.383 nan 8.310 nan 0.000 0.504 63 c N 3.498 122.114 118.600 0.028 0.000 2.611 63 c HA 0.277 4.847 4.570 -0.000 0.000 0.416 63 c C 0.549 174.586 174.090 -0.088 0.000 1.366 63 c CA -0.831 55.489 56.329 -0.015 0.000 1.761 63 c CB -1.513 40.974 42.510 -0.039 0.000 2.619 63 c HN 0.470 nan 8.230 nan 0.000 0.606 64 I N 7.221 127.762 120.570 -0.047 0.000 2.372 64 I HA 0.215 4.385 4.170 -0.000 0.000 0.298 64 I C 0.758 176.812 176.117 -0.104 0.000 1.137 64 I CA 0.725 61.999 61.300 -0.043 0.000 1.314 64 I CB -0.406 37.644 38.000 0.083 0.000 1.444 64 I HN 0.932 nan 8.210 nan 0.000 0.541 65 S N 2.976 118.567 115.700 -0.182 0.000 2.588 65 S HA 0.298 4.767 4.470 -0.000 0.000 0.275 65 S C 0.698 175.225 174.600 -0.122 0.000 1.130 65 S CA -0.875 57.004 58.200 -0.535 0.000 0.855 65 S CB 1.719 64.681 63.200 -0.396 0.000 1.116 65 S HN 0.663 nan 8.310 nan 0.000 0.472 66 E N 1.309 121.374 120.200 -0.226 0.000 2.209 66 E HA -0.216 4.134 4.350 -0.000 0.000 0.196 66 E C 1.307 177.988 176.600 0.135 0.000 0.993 66 E CA 1.245 57.822 56.400 0.295 0.000 0.819 66 E CB -0.482 29.401 29.700 0.305 0.000 0.745 66 E HN 0.656 nan 8.360 nan 0.000 0.477 67 K N 0.461 120.849 120.400 -0.021 0.000 2.025 67 K HA -0.112 4.208 4.320 -0.000 0.000 0.207 67 K C 2.008 178.574 176.600 -0.056 0.000 1.049 67 K CA 1.132 57.388 56.287 -0.052 0.000 0.933 67 K CB -0.294 32.151 32.500 -0.093 0.000 0.714 67 K HN 0.062 nan 8.250 nan 0.000 0.438 68 L N 0.751 121.920 121.223 -0.091 0.000 1.933 68 L HA -0.163 4.177 4.340 -0.000 0.000 0.220 68 L C 1.802 178.556 176.870 -0.193 0.000 1.078 68 L CA 1.819 56.526 54.840 -0.223 0.000 0.773 68 L CB -1.003 40.821 42.059 -0.392 0.000 0.890 68 L HN 0.103 nan 8.230 nan 0.000 0.434 69 F N -0.417 119.508 119.950 -0.041 0.000 2.043 69 F HA -0.348 4.179 4.527 -0.000 0.000 0.297 69 F C 2.777 178.565 175.800 -0.021 0.000 1.118 69 F CA 2.337 60.339 58.000 0.002 0.000 1.202 69 F CB -0.795 38.282 39.000 0.128 0.000 0.965 69 F HN 0.194 nan 8.300 nan 0.000 0.482 70 M N 0.051 119.777 119.600 0.210 0.000 2.116 70 M HA -0.343 4.137 4.480 -0.000 0.000 0.255 70 M C 2.221 178.556 176.300 0.058 0.000 1.075 70 M CA 2.139 57.498 55.300 0.099 0.000 1.087 70 M CB -0.315 32.242 32.600 -0.072 0.000 1.340 70 M HN 0.328 nan 8.290 nan 0.000 0.402 71 E N -0.233 119.952 120.200 -0.026 0.000 2.006 71 E HA -0.221 4.129 4.350 -0.000 0.000 0.192 71 E C 2.029 178.576 176.600 -0.089 0.000 0.993 71 E CA 1.584 57.946 56.400 -0.063 0.000 0.808 71 E CB 0.000 29.630 29.700 -0.117 0.000 0.764 71 E HN 0.420 nan 8.360 nan 0.000 0.449 72 M N 0.671 120.150 119.600 -0.202 0.000 2.113 72 M HA -0.273 4.207 4.480 -0.000 0.000 0.255 72 M C 2.491 178.671 176.300 -0.201 0.000 1.073 72 M CA 1.889 56.980 55.300 -0.348 0.000 1.091 72 M CB -1.455 30.756 32.600 -0.649 0.000 1.309 72 M HN 0.296 nan 8.290 nan 0.000 0.407 73 A N -0.292 122.501 122.820 -0.045 0.000 1.903 73 A HA -0.237 4.083 4.320 -0.000 0.000 0.219 73 A C 2.161 179.764 177.584 0.033 0.000 1.191 73 A CA 2.110 54.166 52.037 0.032 0.000 0.638 73 A CB -0.803 18.294 19.000 0.162 0.000 0.823 73 A HN 0.506 nan 8.150 nan 0.000 0.451 74 E N -0.296 119.959 120.200 0.092 0.000 2.033 74 E HA -0.214 4.136 4.350 -0.000 0.000 0.199 74 E C 1.977 178.603 176.600 0.044 0.000 1.011 74 E CA 1.667 58.120 56.400 0.088 0.000 0.815 74 E CB -0.458 29.301 29.700 0.099 0.000 0.755 74 E HN 0.438 nan 8.360 nan 0.000 0.451 75 L N 0.415 121.646 121.223 0.014 0.000 1.971 75 L HA -0.221 4.119 4.340 -0.000 0.000 0.215 75 L C 2.771 179.728 176.870 0.146 0.000 1.072 75 L CA 1.885 56.752 54.840 0.046 0.000 0.758 75 L CB -0.961 41.083 42.059 -0.025 0.000 0.889 75 L HN 0.206 nan 8.230 nan 0.000 0.433 76 M N -1.338 118.302 119.600 0.067 0.000 2.153 76 M HA -0.299 4.181 4.480 -0.000 0.000 0.253 76 M C 2.107 178.562 176.300 0.257 0.000 1.081 76 M CA 1.615 57.033 55.300 0.197 0.000 1.076 76 M CB -0.657 31.960 32.600 0.029 0.000 1.350 76 M HN 0.169 nan 8.290 nan 0.000 0.401 77 V N -1.039 118.950 119.914 0.124 0.000 2.323 77 V HA -0.179 3.940 4.120 -0.000 0.000 0.244 77 V C 2.210 178.345 176.094 0.069 0.000 1.041 77 V CA 1.753 64.100 62.300 0.078 0.000 1.025 77 V CB -0.654 31.187 31.823 0.029 0.000 0.656 77 V HN 0.397 nan 8.190 nan 0.000 0.451 78 S N 0.276 116.022 115.700 0.076 0.000 2.462 78 S HA -0.197 4.272 4.470 -0.000 0.000 0.219 78 S C 1.514 176.127 174.600 0.021 0.000 1.048 78 S CA 1.339 59.570 58.200 0.051 0.000 1.119 78 S CB -0.455 62.781 63.200 0.061 0.000 1.100 78 S HN 0.562 nan 8.310 nan 0.000 0.411 79 E N 1.297 121.516 120.200 0.031 0.000 2.385 79 E HA 0.137 4.487 4.350 -0.000 0.000 0.201 79 E C 0.884 177.303 176.600 -0.302 0.000 1.250 79 E CA 0.322 56.652 56.400 -0.116 0.000 1.104 79 E CB -1.129 28.508 29.700 -0.105 0.000 1.174 79 E HN 0.674 nan 8.360 nan 0.000 0.461 80 G N 0.704 109.420 108.800 -0.140 0.000 2.356 80 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.296 80 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.296 80 G C 0.570 175.377 174.900 -0.155 0.000 1.022 80 G CA 0.596 45.618 45.100 -0.129 0.000 0.961 80 G HN 0.463 nan 8.290 nan 0.000 0.510 81 W N -0.465 120.859 121.300 0.040 0.000 2.441 81 W HA 0.121 4.780 4.660 -0.000 0.000 0.302 81 W C 2.578 179.194 176.519 0.161 0.000 1.191 81 W CA 1.239 58.647 57.345 0.105 0.000 1.327 81 W CB -0.117 29.356 29.460 0.021 0.000 1.128 81 W HN 0.374 nan 8.180 nan 0.000 0.522 82 K N 0.724 121.310 120.400 0.311 0.000 2.020 82 K HA -0.242 4.078 4.320 -0.000 0.000 0.212 82 K C 1.500 178.174 176.600 0.123 0.000 1.050 82 K CA 2.256 58.656 56.287 0.189 0.000 0.929 82 K CB -0.401 32.164 32.500 0.108 0.000 0.714 82 K HN -0.045 nan 8.250 nan 0.000 0.443 83 D N 0.140 120.588 120.400 0.079 0.000 2.158 83 D HA -0.191 4.449 4.640 -0.000 0.000 0.197 83 D C 1.667 177.986 176.300 0.032 0.000 0.995 83 D CA 1.517 55.538 54.000 0.034 0.000 0.846 83 D CB -0.229 40.572 40.800 0.001 0.000 0.941 83 D HN 0.427 nan 8.370 nan 0.000 0.456 84 A N -0.791 122.068 122.820 0.066 0.000 2.067 84 A HA 0.348 4.667 4.320 -0.000 0.000 0.217 84 A C 1.935 179.509 177.584 -0.018 0.000 1.156 84 A CA 1.875 53.943 52.037 0.052 0.000 0.683 84 A CB 0.133 19.211 19.000 0.129 0.000 0.808 84 A HN 0.357 nan 8.150 nan 0.000 0.455 85 G N -2.615 106.179 108.800 -0.010 0.000 3.345 85 G HA2 -0.089 3.871 3.960 -0.000 0.000 0.199 85 G HA3 -0.089 3.871 3.960 -0.000 0.000 0.199 85 G C -0.046 174.773 174.900 -0.135 0.000 1.057 85 G CA -0.224 44.796 45.100 -0.134 0.000 0.865 85 G HN 0.263 nan 8.290 nan 0.000 0.449 86 Y N 2.142 122.509 120.300 0.111 0.000 2.745 86 Y HA 0.389 4.939 4.550 -0.000 0.000 0.335 86 Y C 1.461 177.404 175.900 0.072 0.000 1.212 86 Y CA 1.436 59.586 58.100 0.083 0.000 1.535 86 Y CB 0.724 39.252 38.460 0.113 0.000 1.220 86 Y HN 0.434 nan 8.280 nan 0.000 0.531 87 E N 2.110 122.403 120.200 0.154 0.000 2.639 87 E HA 0.100 4.449 4.350 -0.000 0.000 0.225 87 E C -1.147 175.403 176.600 -0.083 0.000 0.921 87 E CA -0.008 56.408 56.400 0.027 0.000 1.184 87 E CB 0.445 30.118 29.700 -0.044 0.000 1.160 87 E HN 0.643 nan 8.360 nan 0.000 0.547 88 Y N 0.797 121.139 120.300 0.070 0.000 2.328 88 Y HA 0.394 4.944 4.550 -0.000 0.000 0.337 88 Y C -0.611 175.372 175.900 0.140 0.000 0.966 88 Y CA -1.000 57.161 58.100 0.102 0.000 1.136 88 Y CB 1.626 40.164 38.460 0.130 0.000 1.170 88 Y HN 0.045 nan 8.280 nan 0.000 0.470 89 L N 5.021 126.433 121.223 0.315 0.000 2.280 89 L HA 0.661 5.001 4.340 -0.000 0.000 0.287 89 L C -1.198 175.925 176.870 0.421 0.000 1.023 89 L CA -0.626 54.448 54.840 0.390 0.000 0.819 89 L CB 0.195 42.424 42.059 0.283 0.000 1.212 89 L HN 0.723 nan 8.230 nan 0.000 0.420 90 C N 5.189 124.815 119.300 0.543 0.000 2.563 90 C HA 0.607 5.067 4.460 -0.000 0.000 0.314 90 C C 0.167 175.461 174.990 0.506 0.000 1.199 90 C CA -1.293 57.983 59.018 0.429 0.000 1.564 90 C CB 1.198 29.208 27.740 0.449 0.000 2.173 90 C HN 0.694 nan 8.230 nan 0.000 0.485 91 I N 2.315 123.031 120.570 0.244 0.000 2.385 91 I HA 0.306 4.476 4.170 -0.000 0.000 0.294 91 I C 0.327 176.714 176.117 0.451 0.000 0.988 91 I CA 0.378 61.879 61.300 0.335 0.000 1.265 91 I CB 0.730 38.577 38.000 -0.255 0.000 1.388 91 I HN 0.703 nan 8.210 nan 0.000 0.480 92 D N 3.735 124.577 120.400 0.738 0.000 2.588 92 D HA 0.095 4.735 4.640 -0.000 0.000 0.268 92 D C -0.512 175.983 176.300 0.326 0.000 1.176 92 D CA -0.519 53.746 54.000 0.443 0.000 1.080 92 D CB 1.569 42.421 40.800 0.087 0.000 1.186 92 D HN 0.427 nan 8.370 nan 0.000 0.619 93 D N -0.637 119.322 120.400 -0.736 0.000 2.461 93 D HA -0.110 4.529 4.640 -0.000 0.000 0.231 93 D C 0.359 176.764 176.300 0.175 0.000 1.208 93 D CA 0.542 54.097 54.000 -0.742 0.000 0.879 93 D CB 0.271 40.413 40.800 -1.097 0.000 1.220 93 D HN 0.565 nan 8.370 nan 0.000 0.480 94 c N 1.238 119.937 118.600 0.166 0.000 4.534 94 c HA -0.132 4.437 4.570 -0.000 0.000 0.275 94 c C 1.516 175.651 174.090 0.075 0.000 1.291 94 c CA 0.194 56.644 56.329 0.201 0.000 1.876 94 c CB -2.355 40.434 42.510 0.465 0.000 1.339 94 c HN 0.783 nan 8.230 nan 0.000 0.746 95 W N 0.337 121.647 121.300 0.017 0.000 3.114 95 W HA 0.414 5.073 4.660 -0.000 0.000 0.279 95 W C 0.681 177.134 176.519 -0.109 0.000 1.277 95 W CA 0.239 57.606 57.345 0.037 0.000 1.630 95 W CB -0.780 28.598 29.460 -0.137 0.000 1.087 95 W HN 0.535 nan 8.180 nan 0.000 0.637 96 M N 1.789 120.572 119.600 -1.362 0.000 2.314 96 M HA 0.744 5.224 4.480 -0.000 0.000 0.342 96 M C 0.195 175.959 176.300 -0.894 0.000 1.171 96 M CA -0.524 53.940 55.300 -1.393 0.000 1.098 96 M CB 1.278 32.926 32.600 -1.587 0.000 1.559 96 M HN -0.155 nan 8.290 nan 0.000 0.459 97 A N 2.406 124.935 122.820 -0.485 0.000 2.346 97 A HA 0.453 4.773 4.320 -0.000 0.000 0.252 97 A C -1.753 175.720 177.584 -0.184 0.000 1.089 97 A CA -1.424 50.460 52.037 -0.254 0.000 0.797 97 A CB -0.594 18.346 19.000 -0.101 0.000 1.047 97 A HN 0.784 nan 8.150 nan 0.000 0.494 98 P HA -0.148 nan 4.420 nan 0.000 0.217 98 P C 0.072 177.417 177.300 0.074 0.000 1.148 98 P CA 1.878 65.071 63.100 0.154 0.000 0.834 98 P CB 0.105 31.879 31.700 0.122 0.000 0.783 99 Q N -3.451 116.350 119.800 0.002 0.000 2.756 99 Q HA 0.223 4.563 4.340 -0.000 0.000 0.295 99 Q C -0.860 175.110 176.000 -0.050 0.000 0.903 99 Q CA -0.928 54.860 55.803 -0.025 0.000 0.768 99 Q CB 0.769 29.500 28.738 -0.011 0.000 1.472 99 Q HN -0.169 nan 8.270 nan 0.000 0.416 100 R N 1.039 121.489 120.500 -0.083 0.000 2.817 100 R HA 0.094 4.434 4.340 -0.000 0.000 0.264 100 R C 0.046 176.322 176.300 -0.040 0.000 1.009 100 R CA 0.761 56.804 56.100 -0.096 0.000 1.133 100 R CB -0.366 29.841 30.300 -0.155 0.000 1.013 100 R HN 0.840 nan 8.270 nan 0.000 0.453 101 D N -1.053 119.332 120.400 -0.024 0.000 2.506 101 D HA 0.061 4.701 4.640 -0.000 0.000 0.272 101 D C 0.901 177.201 176.300 0.001 0.000 1.214 101 D CA -0.286 53.715 54.000 0.002 0.000 1.067 101 D CB 0.219 41.035 40.800 0.026 0.000 1.117 101 D HN 0.333 nan 8.370 nan 0.000 0.578 102 S N -0.888 114.817 115.700 0.010 0.000 2.374 102 S HA -0.318 4.152 4.470 -0.000 0.000 0.227 102 S C 1.692 176.297 174.600 0.009 0.000 1.037 102 S CA 1.505 59.711 58.200 0.010 0.000 1.024 102 S CB -0.668 62.539 63.200 0.013 0.000 0.861 102 S HN 0.599 nan 8.310 nan 0.000 0.456 103 E N 1.700 121.906 120.200 0.009 0.000 2.204 103 E HA 0.140 4.490 4.350 -0.000 0.000 0.194 103 E C 1.432 178.033 176.600 0.001 0.000 0.989 103 E CA 0.915 57.319 56.400 0.006 0.000 0.824 103 E CB -0.664 29.040 29.700 0.007 0.000 0.756 103 E HN 0.760 nan 8.360 nan 0.000 0.477 104 G N -0.032 108.762 108.800 -0.011 0.000 2.144 104 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.218 104 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.218 104 G C 0.114 174.950 174.900 -0.106 0.000 0.988 104 G CA 0.191 45.277 45.100 -0.024 0.000 0.659 104 G HN 0.248 nan 8.290 nan 0.000 0.522 105 R N -0.678 119.762 120.500 -0.100 0.000 2.608 105 R HA 0.794 5.134 4.340 -0.000 0.000 0.255 105 R C 1.111 177.331 176.300 -0.133 0.000 1.086 105 R CA -0.848 55.155 56.100 -0.162 0.000 1.125 105 R CB 0.730 30.943 30.300 -0.145 0.000 1.193 105 R HN 0.175 nan 8.270 nan 0.000 0.553 106 L N 0.511 121.650 121.223 -0.140 0.000 2.475 106 L HA 0.181 4.521 4.340 -0.000 0.000 0.212 106 L C 0.147 177.132 176.870 0.193 0.000 1.204 106 L CA -0.089 54.748 54.840 -0.004 0.000 0.843 106 L CB 0.040 42.148 42.059 0.082 0.000 1.360 106 L HN 0.633 nan 8.230 nan 0.000 0.527 107 Q N -0.682 119.249 119.800 0.218 0.000 2.616 107 Q HA 0.584 4.924 4.340 -0.000 0.000 0.254 107 Q C -1.653 174.395 176.000 0.081 0.000 0.975 107 Q CA -0.850 55.099 55.803 0.243 0.000 0.976 107 Q CB 1.237 30.042 28.738 0.112 0.000 1.594 107 Q HN 0.593 nan 8.270 nan 0.000 0.425 108 A N 1.621 124.552 122.820 0.186 0.000 2.386 108 A HA 0.322 4.642 4.320 -0.000 0.000 0.248 108 A C -0.186 177.458 177.584 0.100 0.000 1.082 108 A CA 0.113 52.231 52.037 0.134 0.000 0.789 108 A CB 0.314 19.425 19.000 0.186 0.000 1.025 108 A HN 0.820 nan 8.150 nan 0.000 0.490 109 D N 1.542 122.021 120.400 0.132 0.000 2.586 109 D HA 0.102 4.741 4.640 -0.000 0.000 0.234 109 D C -1.560 174.810 176.300 0.117 0.000 1.132 109 D CA -0.511 53.538 54.000 0.082 0.000 0.860 109 D CB 0.693 41.544 40.800 0.085 0.000 1.159 109 D HN 0.168 nan 8.370 nan 0.000 0.490 110 P HA -0.193 nan 4.420 nan 0.000 0.215 110 P C 0.872 178.162 177.300 -0.016 0.000 1.157 110 P CA 1.463 64.575 63.100 0.019 0.000 0.874 110 P CB 0.204 31.907 31.700 0.004 0.000 0.790 111 Q N -0.855 118.925 119.800 -0.032 0.000 2.083 111 Q HA -0.020 4.320 4.340 -0.000 0.000 0.198 111 Q C 2.118 178.035 176.000 -0.138 0.000 0.969 111 Q CA 1.373 57.132 55.803 -0.073 0.000 0.838 111 Q CB -0.587 28.118 28.738 -0.056 0.000 0.900 111 Q HN 0.238 nan 8.270 nan 0.000 0.436 112 R N -1.016 119.375 120.500 -0.181 0.000 2.275 112 R HA 0.128 4.468 4.340 -0.000 0.000 0.199 112 R C -0.264 175.564 176.300 -0.788 0.000 0.989 112 R CA 0.386 56.212 56.100 -0.456 0.000 1.016 112 R CB 0.437 30.445 30.300 -0.487 0.000 0.918 112 R HN 0.136 nan 8.270 nan 0.000 0.473 113 F N 0.016 119.950 119.950 -0.027 0.000 2.577 113 F HA 0.243 4.770 4.527 -0.000 0.000 0.359 113 F C -1.771 173.984 175.800 -0.075 0.000 1.535 113 F CA -2.145 55.838 58.000 -0.027 0.000 1.093 113 F CB 1.416 40.433 39.000 0.028 0.000 1.613 113 F HN -0.176 nan 8.300 nan 0.000 0.558 114 P HA -0.225 nan 4.420 nan 0.000 0.215 114 P C 1.262 178.482 177.300 -0.133 0.000 1.153 114 P CA 1.906 64.915 63.100 -0.153 0.000 0.853 114 P CB 0.246 31.752 31.700 -0.323 0.000 0.788 115 H N -0.353 118.730 119.070 0.021 0.000 2.470 115 H HA 0.213 4.769 4.556 -0.000 0.000 0.289 115 H C 1.369 176.676 175.328 -0.035 0.000 1.033 115 H CA 1.337 57.382 56.048 -0.005 0.000 1.331 115 H CB -0.563 29.194 29.762 -0.009 0.000 1.414 115 H HN 0.260 nan 8.280 nan 0.000 0.545 116 G N 0.483 109.323 108.800 0.066 0.000 2.712 116 G HA2 -0.179 3.780 3.960 -0.000 0.000 0.686 116 G HA3 -0.179 3.780 3.960 -0.000 0.000 0.686 116 G C 0.698 175.457 174.900 -0.235 0.000 1.181 116 G CA -0.235 44.798 45.100 -0.112 0.000 0.762 116 G HN 0.064 nan 8.290 nan 0.000 0.641 117 I N 1.598 121.853 120.570 -0.525 0.000 2.065 117 I HA -0.268 3.902 4.170 -0.000 0.000 0.236 117 I C 2.971 178.864 176.117 -0.374 0.000 1.028 117 I CA 2.628 63.592 61.300 -0.561 0.000 1.299 117 I CB -1.335 36.113 38.000 -0.920 0.000 1.015 117 I HN 0.953 nan 8.210 nan 0.000 0.396 118 R N 0.969 121.174 120.500 -0.492 0.000 2.271 118 R HA -0.330 4.010 4.340 -0.000 0.000 0.235 118 R C 2.265 178.529 176.300 -0.060 0.000 1.112 118 R CA 2.946 58.947 56.100 -0.165 0.000 0.886 118 R CB -0.770 29.457 30.300 -0.123 0.000 0.934 118 R HN 0.484 nan 8.270 nan 0.000 0.420 119 Q N -0.097 119.666 119.800 -0.061 0.000 2.133 119 Q HA -0.225 4.115 4.340 -0.000 0.000 0.208 119 Q C 2.242 178.253 176.000 0.018 0.000 0.991 119 Q CA 1.947 57.745 55.803 -0.008 0.000 0.867 119 Q CB -0.262 28.464 28.738 -0.019 0.000 0.911 119 Q HN 0.423 nan 8.270 nan 0.000 0.417 120 L N 0.582 121.799 121.223 -0.010 0.000 1.990 120 L HA -0.233 4.107 4.340 -0.000 0.000 0.213 120 L C 2.178 179.056 176.870 0.014 0.000 1.072 120 L CA 2.381 57.232 54.840 0.019 0.000 0.755 120 L CB -1.024 41.010 42.059 -0.042 0.000 0.889 120 L HN 0.167 nan 8.230 nan 0.000 0.432 121 A N -0.090 122.699 122.820 -0.052 0.000 1.884 121 A HA -0.306 4.013 4.320 -0.000 0.000 0.219 121 A C 2.061 179.582 177.584 -0.106 0.000 1.197 121 A CA 2.246 54.205 52.037 -0.131 0.000 0.637 121 A CB -1.075 17.938 19.000 0.022 0.000 0.827 121 A HN 0.712 nan 8.150 nan 0.000 0.450 122 N N -1.520 117.245 118.700 0.108 0.000 2.149 122 N HA -0.206 4.534 4.740 -0.000 0.000 0.188 122 N C 1.589 177.165 175.510 0.109 0.000 1.019 122 N CA 1.852 55.006 53.050 0.174 0.000 0.857 122 N CB -0.650 37.915 38.487 0.129 0.000 0.997 122 N HN 0.720 nan 8.380 nan 0.000 0.426 123 Y N 2.309 122.600 120.300 -0.014 0.000 2.133 123 Y HA -0.136 4.414 4.550 -0.000 0.000 0.287 123 Y C 2.323 178.202 175.900 -0.035 0.000 1.134 123 Y CA 0.975 59.065 58.100 -0.017 0.000 1.133 123 Y CB -0.528 37.920 38.460 -0.020 0.000 0.987 123 Y HN -0.204 nan 8.280 nan 0.000 0.502 124 V N 0.696 120.536 119.914 -0.123 0.000 2.317 124 V HA -0.395 3.724 4.120 -0.000 0.000 0.251 124 V C 2.424 178.354 176.094 -0.273 0.000 1.065 124 V CA 2.455 64.613 62.300 -0.238 0.000 1.049 124 V CB -0.948 30.720 31.823 -0.257 0.000 0.651 124 V HN 0.525 nan 8.190 nan 0.000 0.450 125 H N -0.560 118.459 119.070 -0.084 0.000 2.363 125 H HA -0.063 4.493 4.556 -0.000 0.000 0.301 125 H C 2.694 177.953 175.328 -0.115 0.000 1.074 125 H CA 1.677 57.678 56.048 -0.078 0.000 1.354 125 H CB -0.546 29.196 29.762 -0.035 0.000 1.397 125 H HN 0.463 nan 8.280 nan 0.000 0.516 126 S N 0.727 116.409 115.700 -0.030 0.000 2.387 126 S HA -0.137 4.333 4.470 -0.000 0.000 0.230 126 S C 1.699 176.195 174.600 -0.173 0.000 1.035 126 S CA 1.188 59.331 58.200 -0.095 0.000 1.014 126 S CB -0.013 63.124 63.200 -0.104 0.000 0.836 126 S HN 0.314 nan 8.310 nan 0.000 0.466 127 K N 0.161 120.377 120.400 -0.307 0.000 2.522 127 K HA 0.160 4.480 4.320 -0.000 0.000 0.194 127 K C 1.327 177.848 176.600 -0.133 0.000 1.026 127 K CA 0.632 56.757 56.287 -0.269 0.000 1.119 127 K CB -0.199 32.053 32.500 -0.412 0.000 0.856 127 K HN 0.548 nan 8.250 nan 0.000 0.513 128 G N 1.450 110.201 108.800 -0.082 0.000 2.184 128 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.264 128 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.264 128 G C 0.225 175.104 174.900 -0.036 0.000 0.975 128 G CA 0.251 45.329 45.100 -0.037 0.000 0.642 128 G HN 0.224 nan 8.290 nan 0.000 0.536 129 L N -0.643 120.542 121.223 -0.064 0.000 2.416 129 L HA 0.684 5.024 4.340 -0.000 0.000 0.263 129 L C 0.646 177.457 176.870 -0.097 0.000 1.065 129 L CA -0.989 53.799 54.840 -0.086 0.000 0.798 129 L CB 0.866 42.882 42.059 -0.072 0.000 1.267 129 L HN -0.054 nan 8.230 nan 0.000 0.467 130 K N 1.322 121.613 120.400 -0.181 0.000 2.270 130 K HA 0.540 4.860 4.320 -0.000 0.000 0.255 130 K C -1.237 175.346 176.600 -0.028 0.000 0.936 130 K CA -0.848 55.349 56.287 -0.150 0.000 0.809 130 K CB 2.600 34.820 32.500 -0.466 0.000 1.131 130 K HN 0.223 nan 8.250 nan 0.000 0.427 131 L N 0.637 121.860 121.223 0.000 0.000 2.360 131 L HA 0.646 4.986 4.340 -0.000 0.000 0.271 131 L C -0.260 176.706 176.870 0.160 0.000 1.057 131 L CA 0.298 55.164 54.840 0.045 0.000 0.803 131 L CB 1.617 43.621 42.059 -0.091 0.000 1.207 131 L HN 0.730 nan 8.230 nan 0.000 0.445 132 G N 3.984 112.869 108.800 0.142 0.000 2.591 132 G HA2 0.619 4.579 3.960 -0.000 0.000 0.306 132 G HA3 0.619 4.579 3.960 -0.000 0.000 0.306 132 G C -1.893 173.000 174.900 -0.011 0.000 1.334 132 G CA -0.388 44.791 45.100 0.132 0.000 0.981 132 G HN 0.671 nan 8.290 nan 0.000 0.491 133 I N 0.498 121.006 120.570 -0.104 0.000 2.846 133 I HA 0.677 4.847 4.170 -0.000 0.000 0.307 133 I C -1.190 174.890 176.117 -0.063 0.000 1.053 133 I CA -1.669 59.483 61.300 -0.246 0.000 1.050 133 I CB 2.188 39.914 38.000 -0.457 0.000 1.239 133 I HN 0.553 nan 8.210 nan 0.000 0.439 134 Y N 5.753 126.009 120.300 -0.073 0.000 2.352 134 Y HA 0.802 5.352 4.550 -0.000 0.000 0.326 134 Y C -0.499 175.624 175.900 0.371 0.000 1.166 134 Y CA -0.131 58.076 58.100 0.178 0.000 1.182 134 Y CB 1.235 39.864 38.460 0.280 0.000 1.216 134 Y HN 0.791 nan 8.280 nan 0.000 0.474 135 A N 4.148 126.963 122.820 -0.009 0.000 2.602 135 A HA 0.494 4.814 4.320 -0.000 0.000 0.290 135 A C -2.062 175.385 177.584 -0.228 0.000 1.114 135 A CA -0.769 51.418 52.037 0.250 0.000 0.683 135 A CB 1.832 21.140 19.000 0.513 0.000 1.281 135 A HN 0.691 nan 8.150 nan 0.000 0.416 136 D N 0.062 120.396 120.400 -0.109 0.000 2.896 136 D HA 0.308 4.948 4.640 -0.000 0.000 0.241 136 D C 0.593 176.579 176.300 -0.523 0.000 1.188 136 D CA -0.278 53.444 54.000 -0.463 0.000 0.879 136 D CB 2.466 43.208 40.800 -0.097 0.000 1.553 136 D HN 0.286 nan 8.370 nan 0.000 0.515 137 V N 3.546 122.822 119.914 -1.063 0.000 2.407 137 V HA 0.011 4.131 4.120 -0.000 0.000 0.248 137 V C 1.349 177.441 176.094 -0.003 0.000 1.055 137 V CA 2.345 64.376 62.300 -0.449 0.000 1.049 137 V CB -0.263 31.157 31.823 -0.672 0.000 0.662 137 V HN 0.590 nan 8.190 nan 0.000 0.455 138 G N -0.704 108.016 108.800 -0.132 0.000 2.546 138 G HA2 0.019 3.979 3.960 -0.000 0.000 0.239 138 G HA3 0.019 3.979 3.960 -0.000 0.000 0.239 138 G C 0.556 175.472 174.900 0.026 0.000 1.476 138 G CA 0.262 45.317 45.100 -0.075 0.000 1.064 138 G HN 0.396 nan 8.290 nan 0.000 0.561 139 N N -0.197 118.493 118.700 -0.017 0.000 2.467 139 N HA 0.100 4.839 4.740 -0.000 0.000 0.184 139 N C 0.308 175.813 175.510 -0.009 0.000 1.106 139 N CA 0.728 53.781 53.050 0.005 0.000 0.892 139 N CB 0.300 38.735 38.487 -0.087 0.000 0.969 139 N HN 0.349 nan 8.380 nan 0.000 0.454 140 K N -1.036 119.402 120.400 0.064 0.000 2.575 140 K HA 0.195 4.515 4.320 -0.000 0.000 0.279 140 K C -0.702 176.084 176.600 0.310 0.000 0.969 140 K CA -0.617 55.733 56.287 0.105 0.000 0.868 140 K CB 1.772 34.160 32.500 -0.188 0.000 1.457 140 K HN -0.040 nan 8.250 nan 0.000 0.426 141 T N -2.449 112.277 114.554 0.288 0.000 2.849 141 T HA 0.107 4.457 4.350 -0.000 0.000 0.284 141 T C 1.289 176.178 174.700 0.314 0.000 1.004 141 T CA -0.593 61.715 62.100 0.346 0.000 1.021 141 T CB 0.687 69.829 68.868 0.458 0.000 1.013 141 T HN 0.681 nan 8.240 nan 0.000 0.527 142 c N 1.053 119.784 118.600 0.219 0.000 2.413 142 c HA 0.123 4.692 4.570 -0.000 0.000 0.292 142 c C 2.949 177.118 174.090 0.132 0.000 1.435 142 c CA 0.610 56.992 56.329 0.089 0.000 1.791 142 c CB -2.271 40.251 42.510 0.020 0.000 1.784 142 c HN 0.991 nan 8.230 nan 0.000 0.548 143 A N -0.550 122.354 122.820 0.140 0.000 2.021 143 A HA 0.422 4.742 4.320 -0.000 0.000 0.216 143 A C 2.021 179.550 177.584 -0.091 0.000 1.163 143 A CA 1.600 53.686 52.037 0.082 0.000 0.676 143 A CB -0.433 18.692 19.000 0.208 0.000 0.818 143 A HN 1.047 nan 8.150 nan 0.000 0.453 144 G N -2.553 106.235 108.800 -0.020 0.000 2.231 144 G HA2 -0.157 3.803 3.960 -0.000 0.000 0.206 144 G HA3 -0.157 3.803 3.960 -0.000 0.000 0.206 144 G C 0.094 174.853 174.900 -0.234 0.000 0.996 144 G CA -0.032 44.968 45.100 -0.166 0.000 0.645 144 G HN 0.262 nan 8.290 nan 0.000 0.498 145 F N 1.855 121.817 119.950 0.020 0.000 2.435 145 F HA 0.534 5.061 4.527 -0.000 0.000 0.316 145 F C -1.283 174.504 175.800 -0.022 0.000 1.220 145 F CA -1.885 56.097 58.000 -0.030 0.000 1.241 145 F CB -0.302 38.651 39.000 -0.078 0.000 1.234 145 F HN -0.173 nan 8.300 nan 0.000 0.569 146 P HA -0.104 nan 4.420 nan 0.000 0.267 146 P C 0.147 177.508 177.300 0.102 0.000 1.158 146 P CA 0.984 64.122 63.100 0.063 0.000 0.756 146 P CB 0.278 31.968 31.700 -0.016 0.000 0.766 147 G N 0.980 109.830 108.800 0.083 0.000 3.348 147 G HA2 0.286 4.246 3.960 -0.000 0.000 0.180 147 G HA3 0.286 4.246 3.960 -0.000 0.000 0.180 147 G C 0.281 175.277 174.900 0.160 0.000 1.915 147 G CA 0.501 45.679 45.100 0.129 0.000 0.937 147 G HN 0.475 nan 8.290 nan 0.000 0.564 148 S N -1.988 113.839 115.700 0.211 0.000 2.848 148 S HA 0.055 4.525 4.470 -0.000 0.000 0.163 148 S C -0.331 174.286 174.600 0.029 0.000 0.810 148 S CA -0.705 57.626 58.200 0.218 0.000 1.607 148 S CB -0.330 63.107 63.200 0.395 0.000 1.189 148 S HN 0.385 nan 8.310 nan 0.000 0.610 149 F N 4.046 123.952 119.950 -0.073 0.000 2.593 149 F HA 0.417 4.943 4.527 -0.000 0.000 0.393 149 F C 1.281 176.818 175.800 -0.439 0.000 1.037 149 F CA 1.136 58.972 58.000 -0.272 0.000 1.195 149 F CB -0.169 38.788 39.000 -0.071 0.000 1.034 149 F HN 0.389 nan 8.300 nan 0.000 0.552 150 G N 5.573 113.681 108.800 -1.155 0.000 2.314 150 G HA2 -0.339 3.621 3.960 -0.000 0.000 0.292 150 G HA3 -0.339 3.621 3.960 -0.000 0.000 0.292 150 G C -0.252 174.072 174.900 -0.960 0.000 1.059 150 G CA 0.632 45.122 45.100 -1.018 0.000 0.982 150 G HN 0.842 nan 8.290 nan 0.000 0.505 151 Y N -3.257 116.682 120.300 -0.603 0.000 2.730 151 Y HA 0.179 4.729 4.550 -0.000 0.000 0.298 151 Y C 2.201 177.942 175.900 -0.266 0.000 0.948 151 Y CA -0.259 57.638 58.100 -0.338 0.000 1.127 151 Y CB -0.502 37.812 38.460 -0.245 0.000 1.437 151 Y HN 0.181 nan 8.280 nan 0.000 0.589 152 Y N 1.421 121.708 120.300 -0.022 0.000 1.931 152 Y HA -0.428 4.122 4.550 -0.000 0.000 0.240 152 Y C 2.189 177.976 175.900 -0.188 0.000 1.189 152 Y CA 1.775 59.775 58.100 -0.168 0.000 1.059 152 Y CB -1.305 36.873 38.460 -0.471 0.000 0.880 152 Y HN 0.116 nan 8.280 nan 0.000 0.507 153 D N 0.078 120.447 120.400 -0.051 0.000 2.127 153 D HA -0.227 4.412 4.640 -0.000 0.000 0.190 153 D C 2.379 178.641 176.300 -0.064 0.000 1.000 153 D CA 2.087 56.051 54.000 -0.061 0.000 0.839 153 D CB -0.678 40.105 40.800 -0.030 0.000 0.955 153 D HN 0.344 nan 8.370 nan 0.000 0.446 154 I N 1.399 121.935 120.570 -0.057 0.000 2.053 154 I HA -0.326 3.844 4.170 -0.000 0.000 0.236 154 I C 2.132 178.134 176.117 -0.191 0.000 1.038 154 I CA 1.506 62.752 61.300 -0.089 0.000 1.304 154 I CB -0.435 37.547 38.000 -0.031 0.000 1.023 154 I HN -0.077 nan 8.210 nan 0.000 0.395 155 D N 1.044 121.327 120.400 -0.195 0.000 2.126 155 D HA -0.244 4.396 4.640 -0.000 0.000 0.190 155 D C 2.152 178.193 176.300 -0.431 0.000 1.001 155 D CA 1.851 55.603 54.000 -0.414 0.000 0.841 155 D CB -0.543 40.191 40.800 -0.110 0.000 0.949 155 D HN 0.447 nan 8.370 nan 0.000 0.446 156 A N 0.657 123.437 122.820 -0.067 0.000 1.852 156 A HA -0.340 3.980 4.320 -0.000 0.000 0.217 156 A C 2.211 179.758 177.584 -0.061 0.000 1.215 156 A CA 2.652 54.717 52.037 0.047 0.000 0.641 156 A CB -1.107 17.872 19.000 -0.034 0.000 0.838 156 A HN 0.185 nan 8.150 nan 0.000 0.450 157 Q N -0.800 118.930 119.800 -0.117 0.000 2.096 157 Q HA -0.156 4.184 4.340 -0.000 0.000 0.208 157 Q C 2.165 178.030 176.000 -0.224 0.000 0.993 157 Q CA 2.506 58.236 55.803 -0.122 0.000 0.862 157 Q CB -1.044 27.630 28.738 -0.107 0.000 0.915 157 Q HN 0.740 nan 8.270 nan 0.000 0.416 158 T N 0.212 114.510 114.554 -0.427 0.000 2.516 158 T HA -0.218 4.132 4.350 -0.000 0.000 0.261 158 T C 1.417 175.617 174.700 -0.832 0.000 1.130 158 T CA 1.936 63.571 62.100 -0.776 0.000 1.193 158 T CB -0.745 67.421 68.868 -1.170 0.000 0.864 158 T HN 0.267 nan 8.240 nan 0.000 0.410 159 F N 1.985 121.589 119.950 -0.575 0.000 2.063 159 F HA -0.127 4.399 4.527 -0.000 0.000 0.298 159 F C 2.815 178.576 175.800 -0.065 0.000 1.109 159 F CA 0.834 58.667 58.000 -0.279 0.000 1.212 159 F CB -1.526 37.389 39.000 -0.142 0.000 0.973 159 F HN 0.192 nan 8.300 nan 0.000 0.480 160 A N -0.001 122.891 122.820 0.120 0.000 1.958 160 A HA -0.241 4.078 4.320 -0.000 0.000 0.221 160 A C 1.968 179.607 177.584 0.092 0.000 1.178 160 A CA 2.346 54.438 52.037 0.091 0.000 0.642 160 A CB -0.871 18.150 19.000 0.035 0.000 0.816 160 A HN 0.410 nan 8.150 nan 0.000 0.453 161 D N -1.792 118.638 120.400 0.050 0.000 2.213 161 D HA -0.094 4.546 4.640 -0.000 0.000 0.205 161 D C 1.542 178.004 176.300 0.270 0.000 0.961 161 D CA 0.573 54.638 54.000 0.108 0.000 0.853 161 D CB -0.387 40.447 40.800 0.057 0.000 0.967 161 D HN 0.665 nan 8.370 nan 0.000 0.496 162 W N 1.058 122.396 121.300 0.064 0.000 2.421 162 W HA 0.123 4.783 4.660 -0.000 0.000 0.270 162 W C 1.365 177.943 176.519 0.100 0.000 1.233 162 W CA 1.400 58.787 57.345 0.071 0.000 1.226 162 W CB -0.593 28.912 29.460 0.076 0.000 1.121 162 W HN 0.129 nan 8.180 nan 0.000 0.579 163 G N -0.202 108.802 108.800 0.341 0.000 2.207 163 G HA2 -0.173 3.787 3.960 -0.000 0.000 0.216 163 G HA3 -0.173 3.787 3.960 -0.000 0.000 0.216 163 G C -0.217 174.881 174.900 0.332 0.000 1.053 163 G CA -0.203 45.068 45.100 0.285 0.000 0.764 163 G HN 0.003 nan 8.290 nan 0.000 0.495 164 V N 0.036 120.122 119.914 0.286 0.000 2.881 164 V HA 0.416 4.536 4.120 -0.000 0.000 0.303 164 V C 0.943 177.167 176.094 0.216 0.000 1.070 164 V CA 0.343 62.782 62.300 0.231 0.000 1.074 164 V CB 1.519 33.453 31.823 0.186 0.000 1.012 164 V HN 0.311 nan 8.190 nan 0.000 0.482 165 D N 1.159 121.699 120.400 0.234 0.000 2.473 165 D HA 0.275 4.915 4.640 -0.000 0.000 0.230 165 D C -0.037 176.446 176.300 0.304 0.000 1.097 165 D CA 0.371 54.548 54.000 0.296 0.000 0.861 165 D CB 1.655 42.681 40.800 0.378 0.000 1.114 165 D HN 0.352 nan 8.370 nan 0.000 0.500 166 L N 0.962 122.322 121.223 0.228 0.000 2.505 166 L HA 0.439 4.779 4.340 -0.000 0.000 0.259 166 L C -2.213 174.692 176.870 0.059 0.000 0.952 166 L CA -0.869 54.062 54.840 0.152 0.000 0.840 166 L CB 2.606 44.764 42.059 0.165 0.000 1.358 166 L HN -0.221 nan 8.230 nan 0.000 0.409 167 L N 4.257 125.508 121.223 0.047 0.000 2.349 167 L HA 0.498 4.838 4.340 -0.000 0.000 0.278 167 L C -0.798 176.130 176.870 0.098 0.000 0.996 167 L CA -0.164 54.675 54.840 -0.003 0.000 0.825 167 L CB 1.530 43.545 42.059 -0.074 0.000 1.243 167 L HN 0.629 nan 8.230 nan 0.000 0.412 168 K N 4.959 125.395 120.400 0.060 0.000 2.266 168 K HA 0.254 4.574 4.320 -0.000 0.000 0.274 168 K C -1.325 175.290 176.600 0.026 0.000 1.090 168 K CA -0.442 55.871 56.287 0.043 0.000 0.925 168 K CB 0.292 32.812 32.500 0.034 0.000 1.225 168 K HN 0.519 nan 8.250 nan 0.000 0.458 169 F N 4.523 124.438 119.950 -0.058 0.000 2.377 169 F HA 0.164 4.691 4.527 -0.000 0.000 0.360 169 F C 0.258 176.039 175.800 -0.032 0.000 1.147 169 F CA -0.994 56.980 58.000 -0.044 0.000 1.170 169 F CB 0.133 39.241 39.000 0.179 0.000 1.339 169 F HN 0.581 nan 8.300 nan 0.000 0.552 170 D N 2.711 122.824 120.400 -0.479 0.000 2.358 170 D HA 0.367 5.007 4.640 -0.000 0.000 0.244 170 D C 0.249 176.314 176.300 -0.393 0.000 1.163 170 D CA -0.173 53.645 54.000 -0.304 0.000 0.945 170 D CB 1.651 42.214 40.800 -0.396 0.000 1.152 170 D HN 0.656 nan 8.370 nan 0.000 0.451 171 G N 1.159 109.846 108.800 -0.188 0.000 4.943 171 G HA2 0.344 4.304 3.960 -0.000 0.000 0.315 171 G HA3 0.344 4.304 3.960 -0.000 0.000 0.315 171 G C -0.541 173.819 174.900 -0.899 0.000 1.437 171 G CA -0.303 44.455 45.100 -0.569 0.000 1.027 171 G HN 0.481 nan 8.290 nan 0.000 0.567 172 c N 0.843 119.152 118.600 -0.486 0.000 2.341 172 c HA 0.675 5.245 4.570 -0.000 0.000 0.338 172 c C -0.594 173.293 174.090 -0.338 0.000 1.257 172 c CA -0.274 55.748 56.329 -0.513 0.000 1.883 172 c CB -0.710 41.519 42.510 -0.468 0.000 2.334 172 c HN 0.699 nan 8.230 nan 0.000 0.524 173 Y N 1.183 121.367 120.300 -0.194 0.000 2.837 173 Y HA -0.026 4.524 4.550 -0.000 0.000 0.059 173 Y C 0.207 175.972 175.900 -0.226 0.000 2.038 173 Y CA 0.501 58.501 58.100 -0.168 0.000 1.146 173 Y CB -1.811 36.575 38.460 -0.124 0.000 1.814 173 Y HN 1.045 nan 8.280 nan 0.000 0.301 174 C N 0.665 119.910 119.300 -0.092 0.000 3.254 174 C HA 0.440 4.900 4.460 -0.000 0.000 0.405 174 C C 0.982 175.872 174.990 -0.166 0.000 1.027 174 C CA -1.177 57.722 59.018 -0.199 0.000 1.192 174 C CB 1.446 29.046 27.740 -0.233 0.000 1.567 174 C HN 0.729 nan 8.230 nan 0.000 0.582 175 D N 2.065 122.350 120.400 -0.191 0.000 2.225 175 D HA -0.076 4.564 4.640 -0.000 0.000 0.229 175 D C 1.207 177.427 176.300 -0.132 0.000 1.096 175 D CA 2.528 56.444 54.000 -0.140 0.000 0.964 175 D CB -0.196 40.526 40.800 -0.130 0.000 1.336 175 D HN 0.989 nan 8.370 nan 0.000 0.511 176 S N -1.265 114.363 115.700 -0.120 0.000 2.689 176 S HA 0.357 4.827 4.470 -0.000 0.000 0.306 176 S C 1.137 175.684 174.600 -0.088 0.000 1.104 176 S CA -0.814 57.314 58.200 -0.120 0.000 0.973 176 S CB 1.632 64.773 63.200 -0.098 0.000 1.121 176 S HN 0.110 nan 8.310 nan 0.000 0.523 177 L N 1.071 122.253 121.223 -0.068 0.000 2.197 177 L HA -0.140 4.200 4.340 -0.000 0.000 0.215 177 L C 2.665 179.530 176.870 -0.008 0.000 1.095 177 L CA 1.506 56.346 54.840 -0.001 0.000 0.764 177 L CB -0.778 41.314 42.059 0.056 0.000 0.897 177 L HN 0.689 nan 8.230 nan 0.000 0.436 178 E N 0.250 120.439 120.200 -0.019 0.000 2.026 178 E HA -0.239 4.111 4.350 -0.000 0.000 0.206 178 E C 1.977 178.570 176.600 -0.012 0.000 1.028 178 E CA 1.650 58.044 56.400 -0.009 0.000 0.845 178 E CB -0.605 29.090 29.700 -0.008 0.000 0.772 178 E HN 0.553 nan 8.360 nan 0.000 0.462 179 N N 0.969 119.660 118.700 -0.016 0.000 2.137 179 N HA -0.169 4.570 4.740 -0.000 0.000 0.190 179 N C 1.944 177.437 175.510 -0.028 0.000 1.017 179 N CA 0.676 53.731 53.050 0.009 0.000 0.859 179 N CB -0.526 37.907 38.487 -0.092 0.000 1.002 179 N HN 0.086 nan 8.380 nan 0.000 0.428 180 L N 1.057 122.233 121.223 -0.079 0.000 1.938 180 L HA -0.025 4.315 4.340 -0.000 0.000 0.212 180 L C 2.207 178.943 176.870 -0.222 0.000 1.085 180 L CA 1.975 56.742 54.840 -0.122 0.000 0.760 180 L CB -1.338 40.691 42.059 -0.050 0.000 0.888 180 L HN 0.148 nan 8.230 nan 0.000 0.433 181 A N -0.499 122.184 122.820 -0.229 0.000 1.909 181 A HA -0.368 3.952 4.320 -0.000 0.000 0.221 181 A C 2.087 179.416 177.584 -0.424 0.000 1.223 181 A CA 2.531 54.316 52.037 -0.420 0.000 0.658 181 A CB -1.410 17.603 19.000 0.021 0.000 0.831 181 A HN 0.717 nan 8.150 nan 0.000 0.462 182 D N -0.910 119.369 120.400 -0.200 0.000 2.104 182 D HA -0.124 4.516 4.640 -0.000 0.000 0.194 182 D C 2.156 178.327 176.300 -0.216 0.000 0.994 182 D CA 1.637 55.538 54.000 -0.164 0.000 0.830 182 D CB -0.786 39.981 40.800 -0.055 0.000 0.959 182 D HN 0.481 nan 8.370 nan 0.000 0.452 183 G N -0.163 108.519 108.800 -0.198 0.000 2.491 183 G HA2 -0.306 3.654 3.960 -0.000 0.000 0.218 183 G HA3 -0.306 3.654 3.960 -0.000 0.000 0.218 183 G C 1.535 176.156 174.900 -0.466 0.000 1.180 183 G CA 0.778 45.651 45.100 -0.378 0.000 0.774 183 G HN 0.243 nan 8.290 nan 0.000 0.562 184 Y N 1.168 121.244 120.300 -0.373 0.000 2.070 184 Y HA -0.106 4.444 4.550 -0.000 0.000 0.280 184 Y C 2.996 178.663 175.900 -0.388 0.000 1.148 184 Y CA 1.888 59.810 58.100 -0.296 0.000 1.125 184 Y CB -0.295 37.741 38.460 -0.707 0.000 0.975 184 Y HN 0.108 nan 8.280 nan 0.000 0.492 185 K N -0.879 119.219 120.400 -0.504 0.000 2.001 185 K HA -0.317 4.002 4.320 -0.000 0.000 0.214 185 K C 2.032 178.425 176.600 -0.345 0.000 1.050 185 K CA 2.027 57.860 56.287 -0.757 0.000 0.934 185 K CB -0.762 31.284 32.500 -0.757 0.000 0.718 185 K HN 0.544 nan 8.250 nan 0.000 0.443 186 H N 0.328 119.158 119.070 -0.400 0.000 2.257 186 H HA -0.248 4.308 4.556 -0.000 0.000 0.292 186 H C 2.400 177.509 175.328 -0.365 0.000 1.075 186 H CA 2.054 57.901 56.048 -0.335 0.000 1.212 186 H CB -0.038 29.485 29.762 -0.397 0.000 1.354 186 H HN 0.083 nan 8.280 nan 0.000 0.497 187 M N 0.523 119.774 119.600 -0.583 0.000 2.103 187 M HA -0.252 4.228 4.480 -0.000 0.000 0.255 187 M C 2.606 178.578 176.300 -0.547 0.000 1.074 187 M CA 2.165 57.068 55.300 -0.662 0.000 1.090 187 M CB -0.927 31.103 32.600 -0.951 0.000 1.325 187 M HN 0.254 nan 8.290 nan 0.000 0.403 188 S N -0.346 115.061 115.700 -0.488 0.000 2.381 188 S HA -0.207 4.263 4.470 -0.000 0.000 0.230 188 S C 1.856 176.351 174.600 -0.174 0.000 1.052 188 S CA 2.078 60.045 58.200 -0.389 0.000 1.068 188 S CB -0.569 62.705 63.200 0.122 0.000 0.918 188 S HN 0.623 nan 8.310 nan 0.000 0.448 189 L N 0.907 122.098 121.223 -0.053 0.000 2.072 189 L HA 0.015 4.355 4.340 -0.000 0.000 0.205 189 L C 2.955 179.801 176.870 -0.039 0.000 1.079 189 L CA 1.023 55.871 54.840 0.014 0.000 0.752 189 L CB -0.804 41.306 42.059 0.085 0.000 0.906 189 L HN 0.390 nan 8.230 nan 0.000 0.436 190 A N 0.736 123.501 122.820 -0.093 0.000 1.892 190 A HA -0.208 4.112 4.320 -0.000 0.000 0.218 190 A C 2.273 179.793 177.584 -0.106 0.000 1.188 190 A CA 1.784 53.758 52.037 -0.104 0.000 0.631 190 A CB -0.821 18.065 19.000 -0.189 0.000 0.822 190 A HN 0.345 nan 8.150 nan 0.000 0.447 191 L N -0.516 120.605 121.223 -0.170 0.000 1.948 191 L HA -0.238 4.102 4.340 -0.000 0.000 0.212 191 L C 2.661 179.488 176.870 -0.071 0.000 1.074 191 L CA 1.657 56.414 54.840 -0.138 0.000 0.753 191 L CB -0.904 41.009 42.059 -0.242 0.000 0.888 191 L HN 0.524 nan 8.230 nan 0.000 0.432 192 N N 0.760 119.423 118.700 -0.062 0.000 2.096 192 N HA -0.303 4.437 4.740 -0.000 0.000 0.195 192 N C 2.009 177.513 175.510 -0.010 0.000 1.017 192 N CA 2.025 55.064 53.050 -0.018 0.000 0.870 192 N CB -0.174 38.314 38.487 0.001 0.000 1.024 192 N HN 0.236 nan 8.380 nan 0.000 0.434 193 R N -0.030 120.461 120.500 -0.015 0.000 2.096 193 R HA -0.150 4.190 4.340 -0.000 0.000 0.240 193 R C 2.263 178.558 176.300 -0.008 0.000 1.139 193 R CA 2.328 58.423 56.100 -0.007 0.000 0.952 193 R CB -0.706 29.590 30.300 -0.007 0.000 0.854 193 R HN 0.518 nan 8.270 nan 0.000 0.436 194 T N -3.206 111.339 114.554 -0.015 0.000 2.822 194 T HA -0.069 4.281 4.350 -0.000 0.000 0.270 194 T C 1.582 176.284 174.700 0.003 0.000 1.064 194 T CA 1.680 63.775 62.100 -0.008 0.000 1.131 194 T CB -0.343 68.521 68.868 -0.007 0.000 0.858 194 T HN 0.586 nan 8.240 nan 0.000 0.483 195 G N 1.118 109.921 108.800 0.006 0.000 2.284 195 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.230 195 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.230 195 G C 0.268 175.181 174.900 0.022 0.000 1.021 195 G CA 0.178 45.286 45.100 0.013 0.000 0.619 195 G HN 0.885 nan 8.290 nan 0.000 0.510 196 R N 1.865 122.381 120.500 0.027 0.000 2.489 196 R HA 0.529 4.869 4.340 -0.000 0.000 0.287 196 R C 0.268 176.597 176.300 0.048 0.000 1.053 196 R CA 0.648 56.773 56.100 0.042 0.000 1.036 196 R CB 0.359 30.693 30.300 0.057 0.000 0.966 196 R HN 0.155 nan 8.270 nan 0.000 0.432 197 S N 5.826 121.563 115.700 0.061 0.000 2.423 197 S HA 0.255 4.725 4.470 -0.000 0.000 0.302 197 S C -0.093 174.570 174.600 0.105 0.000 1.143 197 S CA -0.281 57.965 58.200 0.077 0.000 1.080 197 S CB -0.287 62.964 63.200 0.085 0.000 1.081 197 S HN 0.458 nan 8.310 nan 0.000 0.522 198 I N 3.085 123.707 120.570 0.087 0.000 2.382 198 I HA 0.243 4.413 4.170 -0.000 0.000 0.285 198 I C -0.175 176.005 176.117 0.106 0.000 1.007 198 I CA -0.949 60.411 61.300 0.099 0.000 1.142 198 I CB 1.475 39.502 38.000 0.045 0.000 1.289 198 I HN 0.184 nan 8.210 nan 0.000 0.453 199 V N 6.685 126.672 119.914 0.122 0.000 2.458 199 V HA -0.124 3.996 4.120 -0.000 0.000 0.287 199 V C -0.368 175.785 176.094 0.099 0.000 1.009 199 V CA 0.330 62.670 62.300 0.068 0.000 1.091 199 V CB -0.166 31.639 31.823 -0.030 0.000 0.960 199 V HN 0.430 nan 8.190 nan 0.000 0.476 200 Y N 5.085 125.342 120.300 -0.073 0.000 2.385 200 Y HA 0.450 5.000 4.550 -0.000 0.000 0.341 200 Y C 0.426 176.279 175.900 -0.078 0.000 0.965 200 Y CA -0.745 57.329 58.100 -0.044 0.000 1.180 200 Y CB 1.450 39.914 38.460 0.008 0.000 1.139 200 Y HN 0.552 nan 8.280 nan 0.000 0.502 201 S N 6.686 122.286 115.700 -0.167 0.000 2.474 201 S HA 0.523 4.992 4.470 -0.000 0.000 0.320 201 S C -0.529 173.992 174.600 -0.132 0.000 1.067 201 S CA -0.585 57.515 58.200 -0.166 0.000 1.127 201 S CB -0.875 62.367 63.200 0.071 0.000 0.971 201 S HN 0.748 nan 8.310 nan 0.000 0.472 202 c N 3.339 121.853 118.600 -0.144 0.000 2.480 202 c HA 0.496 5.066 4.570 -0.000 0.000 0.358 202 c C 1.521 175.707 174.090 0.161 0.000 1.309 202 c CA -0.546 55.797 56.329 0.024 0.000 2.465 202 c CB 0.537 42.996 42.510 -0.085 0.000 2.379 202 c HN 1.002 nan 8.230 nan 0.000 0.642 203 E N -1.042 119.283 120.200 0.209 0.000 2.715 203 E HA 0.028 4.378 4.350 -0.000 0.000 0.224 203 E C 1.148 177.926 176.600 0.297 0.000 0.962 203 E CA -0.327 56.224 56.400 0.252 0.000 1.145 203 E CB 0.065 29.952 29.700 0.312 0.000 1.083 203 E HN 0.854 nan 8.360 nan 0.000 0.506 204 W N 2.592 123.671 121.300 -0.369 0.000 2.283 204 W HA -0.210 4.450 4.660 -0.000 0.000 0.335 204 W C -1.451 175.056 176.519 -0.019 0.000 1.313 204 W CA 2.337 59.374 57.345 -0.513 0.000 1.263 204 W CB -1.945 26.927 29.460 -0.979 0.000 1.141 204 W HN 0.162 nan 8.180 nan 0.000 0.468 205 P HA -0.260 nan 4.420 nan 0.000 0.214 205 P C 1.963 179.478 177.300 0.359 0.000 1.169 205 P CA 2.627 65.809 63.100 0.137 0.000 0.908 205 P CB -0.691 31.128 31.700 0.198 0.000 0.791 206 L N -2.154 119.170 121.223 0.167 0.000 2.211 206 L HA -0.220 4.119 4.340 -0.000 0.000 0.216 206 L C 1.858 178.647 176.870 -0.136 0.000 1.092 206 L CA 1.928 56.702 54.840 -0.111 0.000 0.767 206 L CB -1.196 40.643 42.059 -0.367 0.000 0.894 206 L HN -0.009 nan 8.230 nan 0.000 0.437 207 Y N -1.989 118.473 120.300 0.269 0.000 2.509 207 Y HA 0.107 4.656 4.550 -0.000 0.000 0.270 207 Y C 2.282 178.391 175.900 0.348 0.000 1.103 207 Y CA 0.642 58.906 58.100 0.273 0.000 1.278 207 Y CB -0.280 38.333 38.460 0.256 0.000 1.087 207 Y HN 0.102 nan 8.280 nan 0.000 0.542 208 M N -1.476 118.392 119.600 0.447 0.000 2.159 208 M HA -0.160 4.320 4.480 -0.000 0.000 0.263 208 M C -0.142 176.225 176.300 0.112 0.000 1.063 208 M CA 1.245 56.724 55.300 0.298 0.000 1.110 208 M CB -0.478 32.138 32.600 0.027 0.000 1.374 208 M HN 0.135 nan 8.290 nan 0.000 0.411 209 W N 2.389 123.669 121.300 -0.033 0.000 2.181 209 W HA 0.131 4.791 4.660 -0.000 0.000 0.335 209 W C -1.883 174.311 176.519 -0.542 0.000 1.310 209 W CA -1.273 55.956 57.345 -0.194 0.000 1.226 209 W CB -0.448 28.965 29.460 -0.078 0.000 1.155 209 W HN 0.028 nan 8.180 nan 0.000 0.565 210 P HA 0.201 nan 4.420 nan 0.000 0.216 210 P C -0.259 176.735 177.300 -0.510 0.000 1.866 210 P CA -0.269 62.625 63.100 -0.343 0.000 1.054 210 P CB -0.151 31.473 31.700 -0.128 0.000 1.821 211 F N 0.128 120.084 119.950 0.010 0.000 2.602 211 F HA 0.255 4.781 4.527 -0.000 0.000 0.284 211 F C 1.135 176.882 175.800 -0.088 0.000 1.111 211 F CA 0.238 58.227 58.000 -0.019 0.000 1.405 211 F CB 0.222 39.223 39.000 0.002 0.000 1.121 211 F HN 0.107 nan 8.300 nan 0.000 0.603 212 Q N -0.544 119.206 119.800 -0.083 0.000 2.766 212 Q HA 0.287 4.627 4.340 -0.000 0.000 0.240 212 Q C -1.553 174.159 176.000 -0.480 0.000 0.993 212 Q CA -1.169 54.512 55.803 -0.203 0.000 1.006 212 Q CB 1.018 29.701 28.738 -0.092 0.000 1.804 212 Q HN -0.138 nan 8.270 nan 0.000 0.464 213 K N 1.964 122.030 120.400 -0.557 0.000 2.484 213 K HA 0.281 4.601 4.320 -0.000 0.000 0.280 213 K C -2.401 173.844 176.600 -0.592 0.000 1.013 213 K CA -0.825 54.993 56.287 -0.781 0.000 1.029 213 K CB -0.480 31.736 32.500 -0.474 0.000 0.902 213 K HN 0.353 nan 8.250 nan 0.000 0.481 214 P HA 0.055 nan 4.420 nan 0.000 0.274 214 P C -0.704 176.208 177.300 -0.647 0.000 1.246 214 P CA -0.548 62.127 63.100 -0.709 0.000 0.795 214 P CB 0.478 31.596 31.700 -0.969 0.000 1.006 215 N N 1.063 119.439 118.700 -0.541 0.000 2.918 215 N HA 0.055 4.795 4.740 -0.000 0.000 0.247 215 N C 0.307 175.545 175.510 -0.452 0.000 1.117 215 N CA -0.029 52.798 53.050 -0.372 0.000 1.005 215 N CB -0.662 37.684 38.487 -0.235 0.000 1.297 215 N HN 0.255 nan 8.380 nan 0.000 0.513 216 Y N 1.089 121.166 120.300 -0.373 0.000 2.241 216 Y HA -0.200 4.349 4.550 -0.000 0.000 0.286 216 Y C 2.211 177.850 175.900 -0.435 0.000 1.166 216 Y CA 1.453 59.256 58.100 -0.495 0.000 1.203 216 Y CB -0.482 37.767 38.460 -0.352 0.000 0.977 216 Y HN 0.409 nan 8.280 nan 0.000 0.529 217 T N -0.731 113.746 114.554 -0.128 0.000 2.867 217 T HA -0.209 4.140 4.350 -0.000 0.000 0.268 217 T C 1.702 176.305 174.700 -0.161 0.000 1.057 217 T CA 1.466 63.494 62.100 -0.120 0.000 1.136 217 T CB -0.172 68.648 68.868 -0.081 0.000 0.874 217 T HN 0.470 nan 8.240 nan 0.000 0.466 218 E N 1.123 121.208 120.200 -0.192 0.000 2.001 218 E HA -0.093 4.257 4.350 -0.000 0.000 0.193 218 E C 2.135 178.639 176.600 -0.159 0.000 0.994 218 E CA 1.066 57.382 56.400 -0.140 0.000 0.815 218 E CB -0.329 29.292 29.700 -0.132 0.000 0.770 218 E HN 0.401 nan 8.360 nan 0.000 0.453 219 I N 0.910 121.211 120.570 -0.448 0.000 2.147 219 I HA -0.394 3.776 4.170 -0.000 0.000 0.245 219 I C 2.875 178.854 176.117 -0.230 0.000 1.059 219 I CA 1.972 62.950 61.300 -0.536 0.000 1.320 219 I CB -0.621 36.753 38.000 -1.045 0.000 1.021 219 I HN 0.260 nan 8.210 nan 0.000 0.415 220 R N 1.350 121.621 120.500 -0.381 0.000 2.200 220 R HA -0.196 4.144 4.340 -0.000 0.000 0.234 220 R C 1.738 178.037 176.300 -0.001 0.000 1.127 220 R CA 1.355 57.385 56.100 -0.116 0.000 0.989 220 R CB -0.125 30.122 30.300 -0.089 0.000 0.869 220 R HN 0.522 nan 8.270 nan 0.000 0.459 221 Q N -1.006 118.730 119.800 -0.108 0.000 2.322 221 Q HA -0.027 4.313 4.340 -0.000 0.000 0.203 221 Q C -0.182 175.617 176.000 -0.335 0.000 0.923 221 Q CA 0.277 55.935 55.803 -0.242 0.000 0.949 221 Q CB 0.588 29.084 28.738 -0.402 0.000 1.039 221 Q HN 0.443 nan 8.270 nan 0.000 0.496 222 Y N -2.202 118.206 120.300 0.179 0.000 2.648 222 Y HA 0.198 4.748 4.550 -0.000 0.000 0.270 222 Y C 0.097 176.233 175.900 0.393 0.000 1.043 222 Y CA -0.751 57.532 58.100 0.304 0.000 1.238 222 Y CB 1.009 39.730 38.460 0.435 0.000 1.385 222 Y HN 0.024 nan 8.280 nan 0.000 0.569 223 c N -0.472 118.392 118.600 0.440 0.000 2.994 223 c HA 0.275 4.845 4.570 -0.000 0.000 0.305 223 c C 1.178 175.413 174.090 0.241 0.000 1.251 223 c CA -0.907 55.629 56.329 0.345 0.000 1.478 223 c CB 1.571 44.318 42.510 0.395 0.000 1.922 223 c HN 0.419 nan 8.230 nan 0.000 0.472 224 N N -0.140 118.549 118.700 -0.018 0.000 2.416 224 N HA 0.083 4.823 4.740 -0.000 0.000 0.177 224 N C -0.635 174.681 175.510 -0.324 0.000 1.036 224 N CA 0.693 53.622 53.050 -0.201 0.000 0.901 224 N CB 0.105 38.407 38.487 -0.310 0.000 0.976 224 N HN 0.912 nan 8.380 nan 0.000 0.444 225 H N -2.857 116.148 119.070 -0.108 0.000 3.016 225 H HA 0.332 4.888 4.556 -0.000 0.000 0.289 225 H C -1.954 173.227 175.328 -0.245 0.000 1.224 225 H CA -1.695 54.055 56.048 -0.497 0.000 1.485 225 H CB -0.712 28.879 29.762 -0.285 0.000 1.999 225 H HN 0.121 nan 8.280 nan 0.000 0.511 226 W N 0.651 122.054 121.300 0.171 0.000 2.882 226 W HA 0.832 5.492 4.660 -0.000 0.000 0.345 226 W C -0.833 175.726 176.519 0.068 0.000 1.125 226 W CA -1.257 56.141 57.345 0.088 0.000 1.167 226 W CB 1.123 30.628 29.460 0.075 0.000 1.431 226 W HN 0.460 nan 8.180 nan 0.000 0.543 227 R N 1.679 122.315 120.500 0.228 0.000 2.459 227 R HA 0.287 4.627 4.340 -0.000 0.000 0.281 227 R C 0.100 176.482 176.300 0.136 0.000 1.050 227 R CA -0.245 55.908 56.100 0.089 0.000 1.055 227 R CB 1.042 31.345 30.300 0.004 0.000 1.045 227 R HN 0.687 nan 8.270 nan 0.000 0.495 228 N N 0.114 118.801 118.700 -0.022 0.000 2.594 228 N HA 0.038 4.778 4.740 -0.000 0.000 0.237 228 N C -0.146 174.977 175.510 -0.646 0.000 1.057 228 N CA 0.348 53.291 53.050 -0.178 0.000 0.883 228 N CB 0.205 38.648 38.487 -0.075 0.000 1.538 228 N HN 0.270 nan 8.380 nan 0.000 0.451 229 F N 1.662 121.121 119.950 -0.819 0.000 2.518 229 F HA 0.699 5.225 4.527 -0.000 0.000 0.338 229 F C 0.534 176.043 175.800 -0.485 0.000 1.065 229 F CA -1.277 56.187 58.000 -0.894 0.000 1.012 229 F CB 0.772 39.229 39.000 -0.906 0.000 1.297 229 F HN 0.009 nan 8.300 nan 0.000 0.489 230 A N 1.876 123.959 122.820 -1.228 0.000 2.482 230 A HA 0.089 4.409 4.320 -0.000 0.000 0.249 230 A C 0.260 177.671 177.584 -0.289 0.000 1.114 230 A CA -0.071 51.531 52.037 -0.724 0.000 0.797 230 A CB -0.360 18.139 19.000 -0.834 0.000 1.067 230 A HN 0.757 nan 8.150 nan 0.000 0.514 231 D N -1.231 119.074 120.400 -0.159 0.000 2.273 231 D HA 0.280 4.920 4.640 -0.000 0.000 0.247 231 D C -0.173 176.159 176.300 0.052 0.000 1.313 231 D CA 0.562 54.559 54.000 -0.006 0.000 0.974 231 D CB 0.398 41.244 40.800 0.077 0.000 1.157 231 D HN 0.452 nan 8.370 nan 0.000 0.533 232 I N 0.177 120.810 120.570 0.105 0.000 2.534 232 I HA 0.128 4.298 4.170 -0.000 0.000 0.288 232 I C -0.884 175.283 176.117 0.084 0.000 1.077 232 I CA -0.674 60.693 61.300 0.111 0.000 1.051 232 I CB 1.391 39.478 38.000 0.145 0.000 1.234 232 I HN 0.084 nan 8.210 nan 0.000 0.425 233 D N 5.051 125.491 120.400 0.067 0.000 2.383 233 D HA 0.077 4.717 4.640 -0.000 0.000 0.248 233 D C -0.600 175.729 176.300 0.047 0.000 1.170 233 D CA 0.039 54.065 54.000 0.044 0.000 0.977 233 D CB 1.126 41.950 40.800 0.039 0.000 1.120 233 D HN 0.487 nan 8.370 nan 0.000 0.481 234 D N 0.169 120.594 120.400 0.042 0.000 2.713 234 D HA 0.115 4.755 4.640 -0.000 0.000 0.229 234 D C -0.856 175.494 176.300 0.083 0.000 1.136 234 D CA -0.260 53.780 54.000 0.067 0.000 1.010 234 D CB -0.446 40.422 40.800 0.113 0.000 1.084 234 D HN 0.254 nan 8.370 nan 0.000 0.495 235 S N 0.378 116.134 115.700 0.093 0.000 2.579 235 S HA 0.240 4.710 4.470 -0.000 0.000 0.272 235 S C 0.624 175.352 174.600 0.214 0.000 1.141 235 S CA -1.091 57.187 58.200 0.129 0.000 0.843 235 S CB 0.705 63.960 63.200 0.092 0.000 1.122 235 S HN 0.443 nan 8.310 nan 0.000 0.468 236 W N 2.177 123.473 121.300 -0.006 0.000 2.409 236 W HA -0.079 4.581 4.660 -0.000 0.000 0.299 236 W C 1.859 178.378 176.519 0.000 0.000 1.203 236 W CA 1.282 58.618 57.345 -0.015 0.000 1.298 236 W CB -0.129 29.322 29.460 -0.016 0.000 1.127 236 W HN 0.960 nan 8.180 nan 0.000 0.528 237 K N 0.610 120.996 120.400 -0.023 0.000 2.000 237 K HA -0.310 4.009 4.320 -0.000 0.000 0.218 237 K C 2.299 178.818 176.600 -0.134 0.000 1.053 237 K CA 2.417 58.606 56.287 -0.163 0.000 0.946 237 K CB -0.920 31.552 32.500 -0.046 0.000 0.723 237 K HN 0.016 nan 8.250 nan 0.000 0.446 238 S N 0.328 116.020 115.700 -0.013 0.000 2.392 238 S HA -0.187 4.283 4.470 -0.000 0.000 0.232 238 S C 1.935 176.551 174.600 0.027 0.000 1.041 238 S CA 1.623 59.850 58.200 0.044 0.000 1.026 238 S CB -0.305 62.941 63.200 0.077 0.000 0.845 238 S HN 0.385 nan 8.310 nan 0.000 0.465 239 I N 0.612 121.176 120.570 -0.010 0.000 2.233 239 I HA -0.166 4.004 4.170 -0.000 0.000 0.243 239 I C 2.485 178.490 176.117 -0.187 0.000 1.093 239 I CA 1.222 62.524 61.300 0.004 0.000 1.380 239 I CB -0.333 37.739 38.000 0.121 0.000 1.067 239 I HN 0.316 nan 8.210 nan 0.000 0.413 240 K N 0.936 121.029 120.400 -0.513 0.000 2.020 240 K HA -0.224 4.095 4.320 -0.000 0.000 0.212 240 K C 2.212 178.632 176.600 -0.301 0.000 1.050 240 K CA 2.231 58.174 56.287 -0.574 0.000 0.929 240 K CB -0.444 31.585 32.500 -0.784 0.000 0.714 240 K HN 0.391 nan 8.250 nan 0.000 0.443 241 S N 1.418 116.972 115.700 -0.243 0.000 2.365 241 S HA -0.207 4.262 4.470 -0.000 0.000 0.225 241 S C 2.085 176.426 174.600 -0.430 0.000 1.039 241 S CA 1.332 59.389 58.200 -0.239 0.000 1.033 241 S CB -0.751 62.403 63.200 -0.078 0.000 0.887 241 S HN 0.226 nan 8.310 nan 0.000 0.447 242 I N 1.344 121.696 120.570 -0.363 0.000 2.163 242 I HA -0.174 3.996 4.170 -0.000 0.000 0.243 242 I C 2.612 178.652 176.117 -0.128 0.000 1.085 242 I CA 1.366 62.449 61.300 -0.361 0.000 1.347 242 I CB -0.389 37.590 38.000 -0.036 0.000 1.044 242 I HN 0.307 nan 8.210 nan 0.000 0.408 243 L N 0.220 121.398 121.223 -0.074 0.000 1.961 243 L HA -0.287 4.053 4.340 -0.000 0.000 0.210 243 L C 2.263 179.190 176.870 0.095 0.000 1.072 243 L CA 1.560 56.406 54.840 0.009 0.000 0.749 243 L CB -0.834 41.198 42.059 -0.046 0.000 0.889 243 L HN 0.271 nan 8.230 nan 0.000 0.432 244 D N -1.023 119.375 120.400 -0.004 0.000 2.244 244 D HA -0.285 4.355 4.640 -0.000 0.000 0.197 244 D C 1.654 177.940 176.300 -0.024 0.000 1.006 244 D CA 1.640 55.626 54.000 -0.024 0.000 0.888 244 D CB -0.182 40.548 40.800 -0.117 0.000 0.912 244 D HN 0.504 nan 8.370 nan 0.000 0.452 245 W N 0.881 122.028 121.300 -0.255 0.000 2.488 245 W HA -0.071 4.589 4.660 -0.000 0.000 0.304 245 W C 2.491 178.956 176.519 -0.090 0.000 1.175 245 W CA 1.253 58.439 57.345 -0.265 0.000 1.365 245 W CB -0.477 28.550 29.460 -0.722 0.000 1.131 245 W HN -0.254 nan 8.180 nan 0.000 0.520 246 T N -0.243 114.428 114.554 0.196 0.000 2.929 246 T HA -0.196 4.154 4.350 -0.000 0.000 0.271 246 T C 1.961 176.674 174.700 0.023 0.000 1.085 246 T CA 1.633 63.801 62.100 0.114 0.000 1.125 246 T CB -0.513 68.516 68.868 0.268 0.000 0.874 246 T HN 0.200 nan 8.240 nan 0.000 0.494 247 S N 0.563 116.334 115.700 0.117 0.000 2.338 247 S HA -0.046 4.424 4.470 -0.000 0.000 0.218 247 S C 1.372 175.931 174.600 -0.067 0.000 1.032 247 S CA 0.671 58.895 58.200 0.039 0.000 0.999 247 S CB -0.501 62.797 63.200 0.162 0.000 0.905 247 S HN 0.482 nan 8.310 nan 0.000 0.439 248 F N 2.182 121.976 119.950 -0.260 0.000 2.738 248 F HA 0.299 4.826 4.527 -0.000 0.000 0.301 248 F C 1.200 176.759 175.800 -0.402 0.000 1.269 248 F CA 0.398 58.220 58.000 -0.296 0.000 1.441 248 F CB -0.225 38.608 39.000 -0.278 0.000 1.101 248 F HN 0.247 nan 8.300 nan 0.000 0.545 249 N N -0.895 117.542 118.700 -0.439 0.000 1.952 249 N HA -0.060 4.679 4.740 -0.000 0.000 0.228 249 N C 1.523 176.845 175.510 -0.313 0.000 1.398 249 N CA 0.383 53.132 53.050 -0.500 0.000 0.817 249 N CB 0.171 38.122 38.487 -0.894 0.000 1.101 249 N HN 0.389 nan 8.380 nan 0.000 0.498 250 Q N 0.936 120.585 119.800 -0.250 0.000 2.250 250 Q HA -0.274 4.065 4.340 -0.000 0.000 0.215 250 Q C 0.852 176.759 176.000 -0.155 0.000 1.002 250 Q CA 1.711 57.414 55.803 -0.167 0.000 0.910 250 Q CB -0.384 28.259 28.738 -0.159 0.000 0.939 250 Q HN 0.133 nan 8.270 nan 0.000 0.416 251 E N 0.965 121.058 120.200 -0.179 0.000 2.095 251 E HA -0.212 4.137 4.350 -0.000 0.000 0.212 251 E C 2.032 178.578 176.600 -0.091 0.000 1.044 251 E CA 2.123 58.438 56.400 -0.142 0.000 0.857 251 E CB -0.128 29.481 29.700 -0.152 0.000 0.764 251 E HN 0.430 nan 8.360 nan 0.000 0.462 252 R N -0.321 120.145 120.500 -0.056 0.000 2.075 252 R HA 0.070 4.410 4.340 -0.000 0.000 0.226 252 R C 2.620 178.861 176.300 -0.097 0.000 1.114 252 R CA 1.478 57.594 56.100 0.027 0.000 0.972 252 R CB -0.359 30.074 30.300 0.221 0.000 0.869 252 R HN 0.367 nan 8.270 nan 0.000 0.437 253 I N -2.720 117.734 120.570 -0.193 0.000 2.499 253 I HA -0.015 4.155 4.170 -0.000 0.000 0.243 253 I C 2.170 178.211 176.117 -0.125 0.000 1.085 253 I CA 0.466 61.569 61.300 -0.328 0.000 1.422 253 I CB -0.882 36.978 38.000 -0.233 0.000 1.165 253 I HN -0.178 nan 8.210 nan 0.000 0.440 254 V N 2.237 122.116 119.914 -0.058 0.000 2.409 254 V HA -0.384 3.736 4.120 -0.000 0.000 0.261 254 V C 2.254 178.359 176.094 0.018 0.000 1.099 254 V CA 2.850 65.157 62.300 0.011 0.000 1.100 254 V CB -0.773 31.059 31.823 0.015 0.000 0.677 254 V HN 0.606 nan 8.190 nan 0.000 0.460 255 D N -0.464 119.921 120.400 -0.024 0.000 2.084 255 D HA -0.085 4.555 4.640 -0.000 0.000 0.199 255 D C 1.863 178.164 176.300 0.002 0.000 0.981 255 D CA 1.878 55.868 54.000 -0.016 0.000 0.841 255 D CB -0.313 40.465 40.800 -0.037 0.000 0.997 255 D HN 0.459 nan 8.370 nan 0.000 0.454 256 V N -0.771 119.140 119.914 -0.006 0.000 3.440 256 V HA 0.198 4.317 4.120 -0.000 0.000 0.274 256 V C 0.838 176.993 176.094 0.101 0.000 1.207 256 V CA 0.462 62.779 62.300 0.028 0.000 1.183 256 V CB -1.882 29.945 31.823 0.007 0.000 0.837 256 V HN 0.217 nan 8.190 nan 0.000 0.532 257 A N 0.076 122.948 122.820 0.085 0.000 2.331 257 A HA 0.819 5.139 4.320 -0.000 0.000 0.283 257 A C 0.573 178.148 177.584 -0.016 0.000 1.142 257 A CA 0.464 52.553 52.037 0.086 0.000 0.812 257 A CB 0.392 19.482 19.000 0.150 0.000 1.074 257 A HN 1.477 nan 8.150 nan 0.000 0.497 258 G N 1.199 109.840 108.800 -0.265 0.000 2.321 258 G HA2 0.444 4.404 3.960 -0.000 0.000 0.298 258 G HA3 0.444 4.404 3.960 -0.000 0.000 0.298 258 G C -3.526 170.767 174.900 -1.011 0.000 1.385 258 G CA -0.823 44.050 45.100 -0.378 0.000 0.856 258 G HN 0.501 nan 8.290 nan 0.000 0.584 259 P HA 0.234 nan 4.420 nan 0.000 0.263 259 P C 1.225 178.226 177.300 -0.499 0.000 1.162 259 P CA 2.634 65.443 63.100 -0.485 0.000 0.758 259 P CB 0.677 32.324 31.700 -0.088 0.000 0.773 260 G N 1.996 110.540 108.800 -0.426 0.000 2.454 260 G HA2 -0.141 3.818 3.960 -0.000 0.000 0.225 260 G HA3 -0.141 3.818 3.960 -0.000 0.000 0.225 260 G C 0.403 175.082 174.900 -0.369 0.000 1.138 260 G CA -0.139 44.808 45.100 -0.256 0.000 0.667 260 G HN 0.932 nan 8.290 nan 0.000 0.512 261 G N -0.743 107.673 108.800 -0.640 0.000 2.666 261 G HA2 0.575 4.535 3.960 -0.000 0.000 0.303 261 G HA3 0.575 4.535 3.960 -0.000 0.000 0.303 261 G C -0.881 173.501 174.900 -0.864 0.000 1.412 261 G CA -0.448 44.366 45.100 -0.477 0.000 0.979 261 G HN 0.502 nan 8.290 nan 0.000 0.507 262 W N 0.525 121.507 121.300 -0.531 0.000 2.882 262 W HA 0.465 5.125 4.660 -0.000 0.000 0.345 262 W C -0.081 175.836 176.519 -1.004 0.000 1.125 262 W CA -1.132 55.898 57.345 -0.525 0.000 1.167 262 W CB 1.671 30.970 29.460 -0.268 0.000 1.431 262 W HN 0.225 nan 8.180 nan 0.000 0.543 263 N N 2.051 120.582 118.700 -0.282 0.000 2.458 263 N HA 0.078 4.818 4.740 -0.000 0.000 0.270 263 N C -1.320 174.010 175.510 -0.300 0.000 1.102 263 N CA 0.091 52.947 53.050 -0.324 0.000 0.967 263 N CB 1.173 39.655 38.487 -0.008 0.000 1.078 263 N HN 0.456 nan 8.380 nan 0.000 0.471 264 D N 3.343 123.544 120.400 -0.332 0.000 2.453 264 D HA 0.379 5.018 4.640 -0.000 0.000 0.238 264 D C -1.985 174.200 176.300 -0.192 0.000 1.088 264 D CA -1.945 51.889 54.000 -0.276 0.000 0.854 264 D CB 1.807 42.426 40.800 -0.301 0.000 1.076 264 D HN 0.149 nan 8.370 nan 0.000 0.533 265 P HA 0.083 nan 4.420 nan 0.000 0.214 265 P C -0.426 176.892 177.300 0.029 0.000 1.162 265 P CA 0.738 63.706 63.100 -0.221 0.000 0.879 265 P CB 0.293 31.544 31.700 -0.748 0.000 0.786 266 D N -5.171 115.321 120.400 0.154 0.000 3.102 266 D HA 0.032 4.672 4.640 -0.000 0.000 0.309 266 D C -0.672 175.834 176.300 0.345 0.000 1.198 266 D CA -0.555 53.565 54.000 0.201 0.000 0.701 266 D CB -0.605 40.306 40.800 0.186 0.000 1.301 266 D HN -0.225 nan 8.370 nan 0.000 0.470 267 M N 0.508 120.230 119.600 0.204 0.000 2.228 267 M HA 0.144 4.624 4.480 -0.000 0.000 0.303 267 M C 0.340 176.684 176.300 0.073 0.000 1.099 267 M CA 0.510 55.913 55.300 0.172 0.000 1.171 267 M CB 0.147 32.801 32.600 0.089 0.000 1.412 267 M HN 0.196 nan 8.290 nan 0.000 0.447 268 L N 2.035 123.245 121.223 -0.021 0.000 2.255 268 L HA 0.192 4.532 4.340 -0.000 0.000 0.289 268 L C 0.695 177.475 176.870 -0.150 0.000 1.046 268 L CA -0.631 54.081 54.840 -0.213 0.000 0.816 268 L CB 0.900 42.855 42.059 -0.173 0.000 1.197 268 L HN 0.677 nan 8.230 nan 0.000 0.427 269 V N 1.625 121.436 119.914 -0.172 0.000 3.499 269 V HA 0.208 4.328 4.120 -0.000 0.000 0.308 269 V C 0.859 176.881 176.094 -0.121 0.000 1.319 269 V CA -0.104 62.129 62.300 -0.112 0.000 1.194 269 V CB -0.780 31.003 31.823 -0.068 0.000 1.072 269 V HN 0.506 nan 8.190 nan 0.000 0.426 270 I N 2.548 123.030 120.570 -0.148 0.000 2.618 270 I HA 0.513 4.683 4.170 -0.000 0.000 0.284 270 I C 1.465 177.533 176.117 -0.081 0.000 1.146 270 I CA 1.390 62.617 61.300 -0.122 0.000 1.425 270 I CB 0.536 38.455 38.000 -0.134 0.000 1.383 270 I HN 0.481 nan 8.210 nan 0.000 0.562 271 G N 3.545 112.301 108.800 -0.073 0.000 2.192 271 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.193 271 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.193 271 G C 0.208 174.967 174.900 -0.234 0.000 0.999 271 G CA -0.184 44.867 45.100 -0.081 0.000 0.659 271 G HN 0.583 nan 8.290 nan 0.000 0.503 272 N N -0.417 118.101 118.700 -0.302 0.000 2.605 272 N HA 0.725 5.465 4.740 -0.000 0.000 0.277 272 N C 1.244 176.346 175.510 -0.679 0.000 1.355 272 N CA 0.727 53.369 53.050 -0.679 0.000 0.849 272 N CB -0.153 38.146 38.487 -0.314 0.000 1.111 272 N HN 0.226 nan 8.380 nan 0.000 0.441 273 F N -3.008 116.929 119.950 -0.022 0.000 2.815 273 F HA 0.451 4.978 4.527 -0.000 0.000 0.328 273 F C 1.904 177.698 175.800 -0.010 0.000 0.982 273 F CA -0.464 57.529 58.000 -0.011 0.000 1.154 273 F CB -0.251 38.739 39.000 -0.018 0.000 0.980 273 F HN 0.321 nan 8.300 nan 0.000 0.603 274 G N 2.464 111.435 108.800 0.286 0.000 2.470 274 G HA2 0.039 3.999 3.960 -0.000 0.000 0.220 274 G HA3 0.039 3.999 3.960 -0.000 0.000 0.220 274 G C 0.612 175.567 174.900 0.093 0.000 1.121 274 G CA 0.463 45.654 45.100 0.151 0.000 0.766 274 G HN 0.136 nan 8.290 nan 0.000 0.553 275 L N 1.407 122.663 121.223 0.056 0.000 2.325 275 L HA 0.388 4.728 4.340 -0.000 0.000 0.278 275 L C 0.840 177.692 176.870 -0.029 0.000 1.023 275 L CA -0.781 54.050 54.840 -0.016 0.000 0.811 275 L CB 1.865 43.885 42.059 -0.065 0.000 1.249 275 L HN 0.165 nan 8.230 nan 0.000 0.431 276 S N 1.721 117.365 115.700 -0.094 0.000 2.626 276 S HA 0.049 4.519 4.470 -0.000 0.000 0.257 276 S C 0.892 175.480 174.600 -0.020 0.000 1.288 276 S CA -0.534 57.635 58.200 -0.052 0.000 0.980 276 S CB 0.895 64.017 63.200 -0.129 0.000 0.975 276 S HN 0.866 nan 8.310 nan 0.000 0.577 277 W N 1.613 122.842 121.300 -0.119 0.000 2.348 277 W HA -0.174 4.486 4.660 -0.000 0.000 0.324 277 W C 1.653 178.088 176.519 -0.139 0.000 1.209 277 W CA 1.520 58.800 57.345 -0.107 0.000 1.275 277 W CB -0.841 28.571 29.460 -0.080 0.000 1.175 277 W HN 0.701 nan 8.180 nan 0.000 0.461 278 N N 0.867 119.422 118.700 -0.242 0.000 2.405 278 N HA -0.228 4.512 4.740 -0.000 0.000 0.189 278 N C 1.558 176.775 175.510 -0.487 0.000 1.021 278 N CA 1.700 54.517 53.050 -0.389 0.000 0.891 278 N CB -0.422 37.959 38.487 -0.176 0.000 0.955 278 N HN 0.558 nan 8.380 nan 0.000 0.443 279 Q N 0.243 119.736 119.800 -0.511 0.000 2.212 279 Q HA 0.019 4.359 4.340 -0.000 0.000 0.199 279 Q C 1.908 177.635 176.000 -0.456 0.000 0.950 279 Q CA 0.636 56.056 55.803 -0.639 0.000 0.863 279 Q CB 0.157 28.495 28.738 -0.667 0.000 0.944 279 Q HN 0.454 nan 8.270 nan 0.000 0.465 280 Q N 0.020 119.540 119.800 -0.466 0.000 2.016 280 Q HA -0.134 4.206 4.340 -0.000 0.000 0.200 280 Q C 2.409 178.109 176.000 -0.501 0.000 0.978 280 Q CA 1.829 57.364 55.803 -0.446 0.000 0.833 280 Q CB -0.350 28.114 28.738 -0.456 0.000 0.895 280 Q HN 0.401 nan 8.270 nan 0.000 0.427 281 V N -0.681 118.812 119.914 -0.701 0.000 2.380 281 V HA -0.275 3.845 4.120 -0.000 0.000 0.251 281 V C 1.999 177.904 176.094 -0.314 0.000 1.063 281 V CA 2.306 64.293 62.300 -0.521 0.000 1.055 281 V CB -1.431 30.070 31.823 -0.536 0.000 0.657 281 V HN 0.261 nan 8.190 nan 0.000 0.455 282 T N 0.226 114.600 114.554 -0.300 0.000 2.580 282 T HA -0.335 4.015 4.350 -0.000 0.000 0.265 282 T C 1.883 176.509 174.700 -0.124 0.000 1.063 282 T CA 2.513 64.511 62.100 -0.169 0.000 1.170 282 T CB -0.479 68.312 68.868 -0.128 0.000 0.863 282 T HN 0.746 nan 8.240 nan 0.000 0.418 283 Q N 0.080 119.770 119.800 -0.184 0.000 2.045 283 Q HA -0.229 4.111 4.340 -0.000 0.000 0.206 283 Q C 2.370 178.203 176.000 -0.279 0.000 0.991 283 Q CA 1.988 57.592 55.803 -0.333 0.000 0.851 283 Q CB -0.272 28.103 28.738 -0.605 0.000 0.911 283 Q HN 0.405 nan 8.270 nan 0.000 0.418 284 M N 0.427 119.869 119.600 -0.263 0.000 2.065 284 M HA -0.176 4.304 4.480 -0.000 0.000 0.259 284 M C 2.007 178.291 176.300 -0.027 0.000 1.069 284 M CA 2.221 57.437 55.300 -0.141 0.000 1.110 284 M CB -0.631 31.888 32.600 -0.135 0.000 1.328 284 M HN 0.324 nan 8.290 nan 0.000 0.405 285 A N -0.253 122.530 122.820 -0.061 0.000 1.883 285 A HA -0.175 4.145 4.320 -0.000 0.000 0.217 285 A C 2.190 179.776 177.584 0.003 0.000 1.186 285 A CA 2.129 54.147 52.037 -0.033 0.000 0.624 285 A CB -1.216 17.745 19.000 -0.064 0.000 0.822 285 A HN 0.583 nan 8.150 nan 0.000 0.444 286 L N -2.338 118.894 121.223 0.015 0.000 2.156 286 L HA -0.132 4.208 4.340 -0.000 0.000 0.208 286 L C 2.562 179.525 176.870 0.156 0.000 1.095 286 L CA 0.713 55.547 54.840 -0.011 0.000 0.770 286 L CB -0.333 41.626 42.059 -0.167 0.000 0.914 286 L HN 0.609 nan 8.230 nan 0.000 0.439 287 W N -0.270 120.950 121.300 -0.133 0.000 2.374 287 W HA -0.223 4.437 4.660 -0.000 0.000 0.288 287 W C 2.509 178.972 176.519 -0.093 0.000 1.218 287 W CA 0.614 57.901 57.345 -0.096 0.000 1.245 287 W CB -0.013 29.409 29.460 -0.063 0.000 1.126 287 W HN 0.224 nan 8.180 nan 0.000 0.545 288 A N 0.252 123.162 122.820 0.149 0.000 1.902 288 A HA -0.193 4.127 4.320 -0.000 0.000 0.217 288 A C 1.757 179.339 177.584 -0.004 0.000 1.181 288 A CA 1.327 53.387 52.037 0.038 0.000 0.623 288 A CB -0.845 18.170 19.000 0.025 0.000 0.818 288 A HN 0.106 nan 8.150 nan 0.000 0.443 289 I N -0.362 120.213 120.570 0.009 0.000 2.315 289 I HA -0.151 4.019 4.170 -0.000 0.000 0.248 289 I C 1.586 177.715 176.117 0.021 0.000 1.117 289 I CA 1.302 62.613 61.300 0.019 0.000 1.404 289 I CB -0.931 37.110 38.000 0.069 0.000 1.071 289 I HN 0.374 nan 8.210 nan 0.000 0.419 290 M N 0.811 120.400 119.600 -0.018 0.000 2.854 290 M HA 0.301 4.780 4.480 -0.000 0.000 0.251 290 M C 0.780 177.021 176.300 -0.098 0.000 1.301 290 M CA -0.340 54.937 55.300 -0.039 0.000 1.059 290 M CB -0.113 32.404 32.600 -0.139 0.000 1.419 290 M HN 0.141 nan 8.290 nan 0.000 0.467 291 A N 1.371 124.132 122.820 -0.100 0.000 1.928 291 A HA -0.010 4.310 4.320 -0.000 0.000 0.252 291 A C 0.538 177.957 177.584 -0.276 0.000 1.250 291 A CA 0.877 52.785 52.037 -0.215 0.000 0.764 291 A CB -1.285 17.641 19.000 -0.124 0.000 1.129 291 A HN 0.729 nan 8.150 nan 0.000 0.318 292 A N 2.241 124.894 122.820 -0.278 0.000 2.320 292 A HA 0.846 5.166 4.320 -0.000 0.000 0.334 292 A C -2.446 174.989 177.584 -0.247 0.000 1.147 292 A CA -2.109 49.740 52.037 -0.313 0.000 0.820 292 A CB 0.788 19.474 19.000 -0.522 0.000 1.218 292 A HN 0.392 nan 8.150 nan 0.000 0.482 293 P HA 0.235 nan 4.420 nan 0.000 0.268 293 P C -0.993 176.434 177.300 0.211 0.000 1.205 293 P CA 0.236 63.255 63.100 -0.135 0.000 0.771 293 P CB 0.334 31.780 31.700 -0.422 0.000 0.858 294 L N 4.181 125.571 121.223 0.278 0.000 2.270 294 L HA 0.402 4.742 4.340 -0.000 0.000 0.286 294 L C -0.471 176.623 176.870 0.373 0.000 1.059 294 L CA -0.187 54.857 54.840 0.339 0.000 0.839 294 L CB -0.367 41.808 42.059 0.193 0.000 1.221 294 L HN 0.274 nan 8.230 nan 0.000 0.431 295 F N 2.742 122.794 119.950 0.170 0.000 2.496 295 F HA 0.494 5.021 4.527 -0.000 0.000 0.341 295 F C 0.387 176.210 175.800 0.038 0.000 1.134 295 F CA -0.622 57.456 58.000 0.129 0.000 0.968 295 F CB 1.656 40.696 39.000 0.067 0.000 1.205 295 F HN 0.343 nan 8.300 nan 0.000 0.436 296 M N 1.619 121.263 119.600 0.073 0.000 2.202 296 M HA 0.334 4.814 4.480 -0.000 0.000 0.316 296 M C 0.347 176.535 176.300 -0.187 0.000 1.138 296 M CA -0.071 55.216 55.300 -0.022 0.000 1.151 296 M CB 1.025 33.598 32.600 -0.046 0.000 1.422 296 M HN 0.477 nan 8.290 nan 0.000 0.471 297 S N 1.985 117.588 115.700 -0.161 0.000 2.386 297 S HA 0.410 4.880 4.470 -0.000 0.000 0.152 297 S C -1.599 172.980 174.600 -0.036 0.000 1.511 297 S CA -0.809 57.228 58.200 -0.271 0.000 1.246 297 S CB -0.272 62.822 63.200 -0.176 0.000 1.338 297 S HN 0.846 nan 8.310 nan 0.000 0.409 298 N N 0.536 119.401 118.700 0.275 0.000 2.732 298 N HA 0.406 5.146 4.740 -0.000 0.000 0.259 298 N C -1.878 173.889 175.510 0.430 0.000 1.402 298 N CA -0.908 52.259 53.050 0.195 0.000 0.829 298 N CB 0.661 39.166 38.487 0.030 0.000 1.495 298 N HN 0.068 nan 8.380 nan 0.000 0.511 299 D N 0.672 121.181 120.400 0.183 0.000 2.411 299 D HA 0.192 4.832 4.640 -0.000 0.000 0.225 299 D C 0.358 176.657 176.300 -0.001 0.000 1.156 299 D CA -0.430 53.694 54.000 0.208 0.000 0.874 299 D CB 0.540 41.434 40.800 0.157 0.000 1.034 299 D HN 0.524 nan 8.370 nan 0.000 0.502 300 L N 3.771 124.900 121.223 -0.157 0.000 2.549 300 L HA -0.024 4.316 4.340 -0.000 0.000 0.230 300 L C 2.327 179.178 176.870 -0.032 0.000 1.162 300 L CA 0.910 55.638 54.840 -0.187 0.000 0.834 300 L CB -0.493 41.281 42.059 -0.474 0.000 0.947 300 L HN 0.310 nan 8.230 nan 0.000 0.452 301 R N -1.066 119.392 120.500 -0.070 0.000 2.075 301 R HA 0.055 4.395 4.340 -0.000 0.000 0.226 301 R C 0.258 176.712 176.300 0.256 0.000 1.114 301 R CA 0.841 56.937 56.100 -0.007 0.000 0.972 301 R CB -0.190 29.964 30.300 -0.243 0.000 0.869 301 R HN 0.463 nan 8.270 nan 0.000 0.437 302 H N -0.139 118.943 119.070 0.021 0.000 2.645 302 H HA 0.391 4.947 4.556 -0.000 0.000 0.257 302 H C -1.077 174.247 175.328 -0.008 0.000 1.269 302 H CA -0.547 55.508 56.048 0.012 0.000 1.409 302 H CB 1.064 30.835 29.762 0.016 0.000 1.434 302 H HN 0.063 nan 8.280 nan 0.000 0.505 303 I N 2.170 122.818 120.570 0.129 0.000 2.569 303 I HA 0.237 4.406 4.170 -0.000 0.000 0.290 303 I C -0.188 175.972 176.117 0.072 0.000 1.088 303 I CA -0.672 60.676 61.300 0.079 0.000 1.047 303 I CB 1.589 39.663 38.000 0.124 0.000 1.237 303 I HN 0.453 nan 8.210 nan 0.000 0.421 304 S N 6.589 122.312 115.700 0.039 0.000 2.558 304 S HA 0.111 4.581 4.470 -0.000 0.000 0.287 304 S C -2.094 172.528 174.600 0.037 0.000 1.321 304 S CA -0.694 57.520 58.200 0.024 0.000 1.048 304 S CB 0.320 63.529 63.200 0.015 0.000 0.844 304 S HN 0.545 nan 8.310 nan 0.000 0.512 305 P HA -0.114 nan 4.420 nan 0.000 0.217 305 P C 1.715 179.007 177.300 -0.014 0.000 1.154 305 P CA 0.985 64.078 63.100 -0.012 0.000 0.841 305 P CB -0.051 31.626 31.700 -0.038 0.000 0.788 306 Q N -0.231 119.539 119.800 -0.049 0.000 2.135 306 Q HA -0.154 4.186 4.340 -0.000 0.000 0.204 306 Q C 1.964 178.016 176.000 0.087 0.000 0.981 306 Q CA 1.771 57.517 55.803 -0.096 0.000 0.856 306 Q CB -1.177 27.379 28.738 -0.303 0.000 0.902 306 Q HN 0.090 nan 8.270 nan 0.000 0.425 307 A N 2.323 125.232 122.820 0.148 0.000 1.826 307 A HA -0.174 4.145 4.320 -0.000 0.000 0.214 307 A C 2.156 179.864 177.584 0.206 0.000 1.212 307 A CA 1.491 53.677 52.037 0.248 0.000 0.605 307 A CB -0.709 18.395 19.000 0.174 0.000 0.861 307 A HN 0.362 nan 8.150 nan 0.000 0.447 308 K N -0.108 120.399 120.400 0.177 0.000 2.189 308 K HA -0.248 4.071 4.320 -0.000 0.000 0.207 308 K C 2.013 178.612 176.600 -0.001 0.000 1.046 308 K CA 1.600 57.969 56.287 0.137 0.000 0.928 308 K CB -0.366 32.144 32.500 0.017 0.000 0.720 308 K HN 0.401 nan 8.250 nan 0.000 0.458 309 A N 1.417 124.256 122.820 0.031 0.000 1.858 309 A HA -0.175 4.145 4.320 -0.000 0.000 0.216 309 A C 2.062 179.692 177.584 0.075 0.000 1.190 309 A CA 1.521 53.571 52.037 0.021 0.000 0.617 309 A CB -0.716 18.306 19.000 0.036 0.000 0.827 309 A HN 0.398 nan 8.150 nan 0.000 0.443 310 L N -0.108 121.211 121.223 0.160 0.000 1.955 310 L HA -0.137 4.203 4.340 -0.000 0.000 0.213 310 L C 2.307 179.253 176.870 0.125 0.000 1.072 310 L CA 2.009 56.938 54.840 0.148 0.000 0.755 310 L CB -0.875 41.281 42.059 0.162 0.000 0.888 310 L HN 0.396 nan 8.230 nan 0.000 0.432 311 L N -0.707 120.618 121.223 0.170 0.000 2.151 311 L HA -0.305 4.035 4.340 -0.000 0.000 0.215 311 L C 2.300 179.372 176.870 0.337 0.000 1.084 311 L CA 1.703 56.705 54.840 0.270 0.000 0.764 311 L CB -0.472 41.834 42.059 0.410 0.000 0.891 311 L HN 0.530 nan 8.230 nan 0.000 0.435 312 Q N -1.545 118.358 119.800 0.172 0.000 2.282 312 Q HA 0.025 4.365 4.340 -0.000 0.000 0.206 312 Q C 0.107 176.142 176.000 0.058 0.000 0.878 312 Q CA -0.337 55.533 55.803 0.112 0.000 0.944 312 Q CB 0.297 28.972 28.738 -0.106 0.000 1.100 312 Q HN 0.269 nan 8.270 nan 0.000 0.509 313 D N 2.256 122.693 120.400 0.061 0.000 2.536 313 D HA -0.098 4.541 4.640 -0.000 0.000 0.260 313 D C 0.567 176.882 176.300 0.025 0.000 1.270 313 D CA 0.607 54.630 54.000 0.037 0.000 0.934 313 D CB 0.664 41.490 40.800 0.043 0.000 1.129 313 D HN 0.121 nan 8.370 nan 0.000 0.533 314 K N 2.832 123.239 120.400 0.011 0.000 2.089 314 K HA -0.195 4.125 4.320 -0.000 0.000 0.210 314 K C 1.278 177.879 176.600 0.002 0.000 1.048 314 K CA 1.581 57.869 56.287 0.002 0.000 0.926 314 K CB 0.104 32.604 32.500 -0.001 0.000 0.714 314 K HN 0.534 nan 8.250 nan 0.000 0.448 315 D N 0.331 120.734 120.400 0.006 0.000 2.178 315 D HA -0.099 4.540 4.640 -0.000 0.000 0.202 315 D C 1.975 178.276 176.300 0.001 0.000 0.974 315 D CA 1.061 55.064 54.000 0.004 0.000 0.841 315 D CB 0.047 40.851 40.800 0.006 0.000 0.953 315 D HN 0.045 nan 8.370 nan 0.000 0.478 316 V N 1.504 121.421 119.914 0.005 0.000 2.446 316 V HA -0.121 3.999 4.120 -0.000 0.000 0.244 316 V C 2.546 178.638 176.094 -0.003 0.000 1.039 316 V CA 0.648 62.950 62.300 0.004 0.000 1.045 316 V CB -0.244 31.586 31.823 0.013 0.000 0.681 316 V HN 0.120 nan 8.190 nan 0.000 0.459 317 I N 1.076 121.644 120.570 -0.004 0.000 2.208 317 I HA -0.249 3.921 4.170 -0.000 0.000 0.245 317 I C 2.740 178.829 176.117 -0.047 0.000 1.097 317 I CA 1.515 62.795 61.300 -0.033 0.000 1.363 317 I CB -0.728 37.242 38.000 -0.050 0.000 1.051 317 I HN 0.286 nan 8.210 nan 0.000 0.413 318 A N 1.502 124.304 122.820 -0.031 0.000 1.865 318 A HA -0.210 4.110 4.320 -0.000 0.000 0.217 318 A C 2.343 179.907 177.584 -0.033 0.000 1.191 318 A CA 1.734 53.755 52.037 -0.028 0.000 0.623 318 A CB -0.901 18.091 19.000 -0.013 0.000 0.826 318 A HN 0.370 nan 8.150 nan 0.000 0.444 319 I N 0.096 120.649 120.570 -0.027 0.000 2.099 319 I HA -0.319 3.850 4.170 -0.000 0.000 0.239 319 I C 2.588 178.672 176.117 -0.056 0.000 1.066 319 I CA 1.776 63.056 61.300 -0.033 0.000 1.324 319 I CB -0.513 37.475 38.000 -0.021 0.000 1.037 319 I HN 0.516 nan 8.210 nan 0.000 0.401 320 N N 0.814 119.477 118.700 -0.061 0.000 2.205 320 N HA -0.223 4.517 4.740 -0.000 0.000 0.186 320 N C 1.575 176.988 175.510 -0.162 0.000 1.015 320 N CA 1.415 54.404 53.050 -0.101 0.000 0.862 320 N CB -0.008 38.435 38.487 -0.073 0.000 0.986 320 N HN 0.369 nan 8.380 nan 0.000 0.429 321 Q N 1.112 120.839 119.800 -0.123 0.000 2.322 321 Q HA 0.031 4.371 4.340 -0.000 0.000 0.203 321 Q C -0.611 175.346 176.000 -0.072 0.000 0.923 321 Q CA -0.121 55.610 55.803 -0.120 0.000 0.949 321 Q CB -0.735 27.951 28.738 -0.087 0.000 1.039 321 Q HN 0.378 nan 8.270 nan 0.000 0.496 322 D N 1.891 122.253 120.400 -0.065 0.000 2.583 322 D HA -0.087 4.552 4.640 -0.000 0.000 0.232 322 D C -1.113 175.196 176.300 0.016 0.000 1.128 322 D CA -0.655 53.329 54.000 -0.025 0.000 0.859 322 D CB 1.019 41.798 40.800 -0.035 0.000 1.169 322 D HN 0.032 nan 8.370 nan 0.000 0.481 323 P HA -0.153 nan 4.420 nan 0.000 0.219 323 P C 1.927 179.286 177.300 0.098 0.000 1.150 323 P CA 0.630 63.773 63.100 0.072 0.000 0.814 323 P CB 0.231 31.962 31.700 0.051 0.000 0.787 324 L N -0.161 121.101 121.223 0.065 0.000 1.971 324 L HA -0.117 4.223 4.340 -0.000 0.000 0.215 324 L C 1.506 178.448 176.870 0.120 0.000 1.072 324 L CA 2.355 57.230 54.840 0.060 0.000 0.758 324 L CB -1.273 40.790 42.059 0.007 0.000 0.889 324 L HN 0.245 nan 8.230 nan 0.000 0.433 325 G N 0.209 109.120 108.800 0.185 0.000 2.203 325 G HA2 -0.195 3.765 3.960 -0.000 0.000 0.231 325 G HA3 -0.195 3.765 3.960 -0.000 0.000 0.231 325 G C -0.194 174.861 174.900 0.258 0.000 1.058 325 G CA -0.189 45.147 45.100 0.392 0.000 0.781 325 G HN 0.237 nan 8.290 nan 0.000 0.496 326 K N 0.596 121.069 120.400 0.121 0.000 2.292 326 K HA 0.315 4.635 4.320 -0.000 0.000 0.270 326 K C 0.570 177.204 176.600 0.057 0.000 1.062 326 K CA -0.534 55.788 56.287 0.058 0.000 0.916 326 K CB 1.438 33.914 32.500 -0.041 0.000 1.166 326 K HN 0.611 nan 8.250 nan 0.000 0.458 327 Q N 1.077 120.946 119.800 0.115 0.000 2.330 327 Q HA 0.144 4.484 4.340 -0.000 0.000 0.279 327 Q C 0.548 176.597 176.000 0.082 0.000 1.024 327 Q CA 0.129 55.995 55.803 0.104 0.000 0.900 327 Q CB 0.680 29.500 28.738 0.136 0.000 1.221 327 Q HN 0.736 nan 8.270 nan 0.000 0.396 328 G N 1.876 110.697 108.800 0.036 0.000 2.570 328 G HA2 0.343 4.303 3.960 -0.000 0.000 0.276 328 G HA3 0.343 4.303 3.960 -0.000 0.000 0.276 328 G C -1.213 173.722 174.900 0.058 0.000 1.346 328 G CA 0.160 45.219 45.100 -0.069 0.000 1.034 328 G HN 0.758 nan 8.290 nan 0.000 0.512 329 Y N -4.095 116.247 120.300 0.071 0.000 2.687 329 Y HA 0.462 5.012 4.550 -0.000 0.000 0.338 329 Y C -0.635 174.918 175.900 -0.579 0.000 1.189 329 Y CA -1.460 56.510 58.100 -0.216 0.000 1.097 329 Y CB 0.694 39.044 38.460 -0.183 0.000 1.342 329 Y HN 0.652 nan 8.280 nan 0.000 0.461 330 Q N 1.896 121.099 119.800 -0.994 0.000 2.313 330 Q HA 0.275 4.615 4.340 -0.000 0.000 0.266 330 Q C -0.520 175.308 176.000 -0.288 0.000 0.989 330 Q CA -0.334 54.755 55.803 -1.191 0.000 0.890 330 Q CB 1.231 29.222 28.738 -1.244 0.000 1.200 330 Q HN 0.877 nan 8.270 nan 0.000 0.396 331 L N 4.470 125.596 121.223 -0.161 0.000 2.265 331 L HA 0.310 4.649 4.340 -0.000 0.000 0.195 331 L C 0.194 177.044 176.870 -0.033 0.000 1.083 331 L CA 1.379 56.235 54.840 0.027 0.000 0.798 331 L CB 0.005 42.118 42.059 0.092 0.000 0.989 331 L HN 0.589 nan 8.230 nan 0.000 0.472 332 R N -0.973 119.503 120.500 -0.039 0.000 2.828 332 R HA 0.546 4.886 4.340 -0.000 0.000 0.264 332 R C -0.946 175.346 176.300 -0.013 0.000 1.022 332 R CA -0.613 55.481 56.100 -0.010 0.000 1.021 332 R CB 1.620 31.943 30.300 0.038 0.000 1.163 332 R HN 0.166 nan 8.270 nan 0.000 0.494 333 Q N -0.638 119.173 119.800 0.018 0.000 3.022 333 Q HA 0.615 4.955 4.340 -0.000 0.000 0.313 333 Q C -1.116 174.923 176.000 0.064 0.000 1.018 333 Q CA 0.162 55.986 55.803 0.035 0.000 0.799 333 Q CB 2.037 30.789 28.738 0.024 0.000 1.498 333 Q HN 0.759 nan 8.270 nan 0.000 0.494 334 G N 1.105 109.944 108.800 0.065 0.000 2.733 334 G HA2 -0.100 3.859 3.960 -0.000 0.000 0.686 334 G HA3 -0.100 3.859 3.960 -0.000 0.000 0.686 334 G C -0.790 174.184 174.900 0.122 0.000 1.373 334 G CA -0.042 45.108 45.100 0.083 0.000 0.838 334 G HN 1.106 nan 8.290 nan 0.000 0.588 335 D N 0.195 120.655 120.400 0.101 0.000 2.810 335 D HA -0.187 4.453 4.640 -0.000 0.000 0.224 335 D C 0.959 177.247 176.300 -0.021 0.000 1.222 335 D CA 1.595 55.652 54.000 0.095 0.000 0.698 335 D CB -0.728 40.212 40.800 0.234 0.000 0.961 335 D HN 1.020 nan 8.370 nan 0.000 0.403 336 N N 0.345 119.000 118.700 -0.075 0.000 2.700 336 N HA -0.247 4.493 4.740 -0.000 0.000 0.265 336 N C -0.988 174.333 175.510 -0.315 0.000 0.975 336 N CA 1.442 54.387 53.050 -0.174 0.000 0.800 336 N CB -0.853 37.494 38.487 -0.235 0.000 0.908 336 N HN 0.499 nan 8.380 nan 0.000 0.551 337 F N -0.445 119.470 119.950 -0.058 0.000 2.615 337 F HA 0.277 4.804 4.527 -0.000 0.000 0.312 337 F C 0.091 175.817 175.800 -0.124 0.000 1.119 337 F CA -0.875 57.028 58.000 -0.162 0.000 0.979 337 F CB 1.946 40.711 39.000 -0.391 0.000 1.266 337 F HN -0.177 nan 8.300 nan 0.000 0.444 338 E N 2.772 123.088 120.200 0.192 0.000 2.234 338 E HA 0.525 4.875 4.350 -0.000 0.000 0.266 338 E C -1.486 175.227 176.600 0.189 0.000 0.877 338 E CA -0.831 55.691 56.400 0.204 0.000 0.758 338 E CB 3.206 33.140 29.700 0.390 0.000 1.170 338 E HN 0.211 nan 8.360 nan 0.000 0.415 339 V N 3.845 123.825 119.914 0.109 0.000 2.350 339 V HA 0.314 4.434 4.120 -0.000 0.000 0.285 339 V C -0.953 175.211 176.094 0.117 0.000 1.014 339 V CA -0.709 61.655 62.300 0.108 0.000 0.831 339 V CB 0.253 32.088 31.823 0.020 0.000 1.000 339 V HN 0.595 nan 8.190 nan 0.000 0.433 340 W N 3.005 124.297 121.300 -0.013 0.000 2.497 340 W HA 0.768 5.428 4.660 -0.000 0.000 0.359 340 W C 0.271 176.737 176.519 -0.087 0.000 1.131 340 W CA -0.666 56.655 57.345 -0.039 0.000 1.280 340 W CB 1.099 30.542 29.460 -0.028 0.000 1.319 340 W HN 0.643 nan 8.180 nan 0.000 0.626 341 E N 0.953 121.141 120.200 -0.021 0.000 2.400 341 E HA 0.460 4.810 4.350 -0.000 0.000 0.285 341 E C -1.643 174.758 176.600 -0.333 0.000 1.005 341 E CA -1.152 55.189 56.400 -0.099 0.000 0.816 341 E CB 2.039 31.735 29.700 -0.007 0.000 1.220 341 E HN 0.518 nan 8.360 nan 0.000 0.426 342 R N 2.988 123.382 120.500 -0.177 0.000 2.575 342 R HA 0.476 4.815 4.340 -0.000 0.000 0.293 342 R C -2.754 173.316 176.300 -0.384 0.000 0.983 342 R CA -1.982 53.961 56.100 -0.263 0.000 0.887 342 R CB 2.247 32.465 30.300 -0.136 0.000 1.184 342 R HN 0.447 nan 8.270 nan 0.000 0.445 343 P HA 0.194 nan 4.420 nan 0.000 0.279 343 P C -0.542 176.419 177.300 -0.564 0.000 1.239 343 P CA -0.300 62.084 63.100 -1.193 0.000 0.789 343 P CB 1.550 32.420 31.700 -1.383 0.000 0.933 344 L N 1.127 122.078 121.223 -0.454 0.000 2.836 344 L HA 0.494 4.834 4.340 -0.000 0.000 0.216 344 L C 0.991 177.779 176.870 -0.137 0.000 1.861 344 L CA -0.856 53.867 54.840 -0.195 0.000 2.145 344 L CB -0.270 41.731 42.059 -0.095 0.000 2.671 344 L HN 0.281 nan 8.230 nan 0.000 0.594 345 S N -0.979 114.690 115.700 -0.052 0.000 2.638 345 S HA 0.530 5.000 4.470 -0.000 0.000 0.298 345 S C 0.332 174.945 174.600 0.022 0.000 1.111 345 S CA 0.061 58.253 58.200 -0.013 0.000 1.027 345 S CB 1.401 64.604 63.200 0.005 0.000 1.064 345 S HN 0.932 nan 8.310 nan 0.000 0.525 346 G N 0.788 109.613 108.800 0.041 0.000 2.246 346 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.273 346 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.273 346 G C 0.345 175.309 174.900 0.106 0.000 1.055 346 G CA 0.099 45.239 45.100 0.066 0.000 0.851 346 G HN 1.115 nan 8.290 nan 0.000 0.500 347 L N -3.889 117.419 121.223 0.141 0.000 4.429 347 L HA -0.247 4.093 4.340 -0.000 0.000 0.422 347 L C 1.346 178.436 176.870 0.367 0.000 1.149 347 L CA 0.909 55.905 54.840 0.260 0.000 0.972 347 L CB -1.902 40.273 42.059 0.193 0.000 2.059 347 L HN 1.509 nan 8.230 nan 0.000 0.870 348 A N -0.991 121.987 122.820 0.262 0.000 2.306 348 A HA 0.659 4.979 4.320 -0.000 0.000 0.314 348 A C -0.786 176.987 177.584 0.315 0.000 1.164 348 A CA -0.139 52.062 52.037 0.274 0.000 0.822 348 A CB 0.441 19.518 19.000 0.127 0.000 1.130 348 A HN 0.255 nan 8.150 nan 0.000 0.496 349 W N 0.452 121.753 121.300 0.001 0.000 2.819 349 W HA 0.625 5.285 4.660 -0.000 0.000 0.337 349 W C 0.039 176.541 176.519 -0.029 0.000 1.077 349 W CA -0.314 57.023 57.345 -0.012 0.000 1.226 349 W CB 2.057 31.512 29.460 -0.009 0.000 1.419 349 W HN 0.898 nan 8.180 nan 0.000 0.502 350 A N 2.010 124.921 122.820 0.152 0.000 2.312 350 A HA 0.901 5.221 4.320 -0.000 0.000 0.326 350 A C -1.286 176.353 177.584 0.092 0.000 1.172 350 A CA -0.622 51.461 52.037 0.077 0.000 0.821 350 A CB 0.916 19.926 19.000 0.016 0.000 1.166 350 A HN 0.463 nan 8.150 nan 0.000 0.493 351 V N 0.899 120.852 119.914 0.065 0.000 2.760 351 V HA 0.735 4.855 4.120 -0.000 0.000 0.309 351 V C 0.224 176.354 176.094 0.060 0.000 1.077 351 V CA -0.373 61.968 62.300 0.069 0.000 0.910 351 V CB 1.619 33.471 31.823 0.048 0.000 1.008 351 V HN 1.315 nan 8.190 nan 0.000 0.424 352 A N 4.574 127.457 122.820 0.105 0.000 2.340 352 A HA 0.990 5.309 4.320 -0.000 0.000 0.331 352 A C -0.700 176.947 177.584 0.105 0.000 1.140 352 A CA -0.651 51.442 52.037 0.094 0.000 0.801 352 A CB 1.533 20.588 19.000 0.093 0.000 1.234 352 A HN 0.854 nan 8.150 nan 0.000 0.469 353 M N 2.517 122.155 119.600 0.062 0.000 2.031 353 M HA 0.400 4.880 4.480 -0.000 0.000 0.273 353 M C -1.557 174.794 176.300 0.084 0.000 0.904 353 M CA 0.282 55.610 55.300 0.046 0.000 0.963 353 M CB 0.921 33.527 32.600 0.009 0.000 1.707 353 M HN 0.590 nan 8.290 nan 0.000 0.427 354 I N 2.234 122.885 120.570 0.135 0.000 2.331 354 I HA 0.348 4.518 4.170 -0.000 0.000 0.292 354 I C 0.146 176.416 176.117 0.255 0.000 0.998 354 I CA -0.728 60.668 61.300 0.160 0.000 1.267 354 I CB 1.273 39.361 38.000 0.146 0.000 1.386 354 I HN 0.518 nan 8.210 nan 0.000 0.476 355 N N 5.715 124.536 118.700 0.202 0.000 2.645 355 N HA 0.148 4.887 4.740 -0.000 0.000 0.233 355 N C 0.443 175.972 175.510 0.031 0.000 1.058 355 N CA -0.409 52.699 53.050 0.097 0.000 0.942 355 N CB 0.524 39.070 38.487 0.097 0.000 1.210 355 N HN 0.305 nan 8.380 nan 0.000 0.512 356 R N 1.627 122.132 120.500 0.008 0.000 2.386 356 R HA -0.030 4.309 4.340 -0.000 0.000 0.216 356 R C -0.132 176.171 176.300 0.006 0.000 1.119 356 R CA 0.150 56.289 56.100 0.065 0.000 1.158 356 R CB -0.688 29.642 30.300 0.050 0.000 1.057 356 R HN 0.656 nan 8.270 nan 0.000 0.489 357 Q N 1.299 121.058 119.800 -0.068 0.000 2.503 357 Q HA 0.049 4.389 4.340 -0.000 0.000 0.227 357 Q C 0.395 176.392 176.000 -0.005 0.000 1.109 357 Q CA -0.151 55.611 55.803 -0.069 0.000 0.922 357 Q CB 0.659 29.305 28.738 -0.154 0.000 1.249 357 Q HN 0.041 nan 8.270 nan 0.000 0.530 358 E N 2.295 122.522 120.200 0.045 0.000 2.284 358 E HA -0.193 4.157 4.350 -0.000 0.000 0.200 358 E C 0.533 177.150 176.600 0.029 0.000 1.008 358 E CA 1.043 57.483 56.400 0.068 0.000 0.829 358 E CB 0.120 29.878 29.700 0.096 0.000 0.744 358 E HN 0.628 nan 8.360 nan 0.000 0.491 359 I N -1.772 118.804 120.570 0.010 0.000 2.957 359 I HA 0.438 4.608 4.170 -0.000 0.000 0.310 359 I C 0.713 176.830 176.117 -0.001 0.000 1.063 359 I CA 0.357 61.660 61.300 0.006 0.000 1.033 359 I CB 1.696 39.700 38.000 0.007 0.000 1.230 359 I HN 0.218 nan 8.210 nan 0.000 0.447 360 G N 3.072 111.875 108.800 0.005 0.000 2.545 360 G HA2 0.036 3.996 3.960 -0.000 0.000 0.240 360 G HA3 0.036 3.996 3.960 -0.000 0.000 0.240 360 G C -0.165 174.744 174.900 0.014 0.000 1.172 360 G CA -0.152 44.953 45.100 0.008 0.000 0.949 360 G HN 1.279 nan 8.290 nan 0.000 0.574 361 G N -0.110 108.704 108.800 0.023 0.000 3.166 361 G HA2 0.844 4.804 3.960 -0.000 0.000 0.267 361 G HA3 0.844 4.804 3.960 -0.000 0.000 0.267 361 G C -3.008 171.924 174.900 0.054 0.000 1.256 361 G CA 0.104 45.226 45.100 0.036 0.000 0.859 361 G HN 0.909 nan 8.290 nan 0.000 0.590 362 P HA 0.294 nan 4.420 nan 0.000 0.281 362 P C -0.425 176.986 177.300 0.185 0.000 1.286 362 P CA -0.015 63.164 63.100 0.132 0.000 0.772 362 P CB 1.297 33.078 31.700 0.136 0.000 0.862 363 R N 1.862 122.476 120.500 0.189 0.000 2.541 363 R HA 0.581 4.921 4.340 -0.000 0.000 0.254 363 R C 0.456 176.904 176.300 0.245 0.000 1.130 363 R CA -0.648 55.579 56.100 0.213 0.000 1.152 363 R CB 0.626 31.028 30.300 0.169 0.000 1.222 363 R HN 0.541 nan 8.270 nan 0.000 0.579 364 S N -0.095 115.690 115.700 0.143 0.000 2.500 364 S HA 0.408 4.878 4.470 -0.000 0.000 0.301 364 S C -1.355 173.273 174.600 0.047 0.000 1.092 364 S CA -0.811 57.312 58.200 -0.130 0.000 1.030 364 S CB 1.293 64.109 63.200 -0.640 0.000 1.031 364 S HN 0.568 nan 8.310 nan 0.000 0.483 365 Y N 2.136 122.287 120.300 -0.248 0.000 2.446 365 Y HA 0.652 5.202 4.550 -0.000 0.000 0.345 365 Y C -0.344 175.393 175.900 -0.272 0.000 0.984 365 Y CA -0.272 57.572 58.100 -0.427 0.000 1.058 365 Y CB 2.210 40.071 38.460 -0.999 0.000 1.220 365 Y HN 1.002 nan 8.280 nan 0.000 0.455 366 T N 5.013 119.061 114.554 -0.843 0.000 2.881 366 T HA 0.747 5.097 4.350 -0.000 0.000 0.290 366 T C -1.059 173.242 174.700 -0.666 0.000 1.000 366 T CA -0.611 61.163 62.100 -0.544 0.000 0.978 366 T CB 1.226 69.897 68.868 -0.328 0.000 0.997 366 T HN 0.551 nan 8.240 nan 0.000 0.443 367 I N -0.462 119.877 120.570 -0.385 0.000 3.174 367 I HA 0.884 5.054 4.170 -0.000 0.000 0.313 367 I C -0.066 175.943 176.117 -0.180 0.000 1.155 367 I CA -2.224 58.910 61.300 -0.277 0.000 0.977 367 I CB 1.178 39.087 38.000 -0.153 0.000 1.248 367 I HN 0.831 nan 8.210 nan 0.000 0.453 368 A N 2.325 125.044 122.820 -0.167 0.000 2.544 368 A HA 0.476 4.795 4.320 -0.000 0.000 0.301 368 A C 1.296 178.766 177.584 -0.190 0.000 1.368 368 A CA -0.294 51.635 52.037 -0.180 0.000 1.045 368 A CB -0.593 18.281 19.000 -0.209 0.000 1.129 368 A HN 0.822 nan 8.150 nan 0.000 0.540 369 V N 2.876 122.700 119.914 -0.151 0.000 2.311 369 V HA -0.448 3.672 4.120 -0.000 0.000 0.259 369 V C 2.888 178.864 176.094 -0.197 0.000 1.086 369 V CA 2.859 65.076 62.300 -0.138 0.000 1.078 369 V CB -1.380 30.430 31.823 -0.022 0.000 0.668 369 V HN 0.957 nan 8.190 nan 0.000 0.452 370 A N 0.630 123.243 122.820 -0.345 0.000 1.829 370 A HA -0.202 4.118 4.320 -0.000 0.000 0.216 370 A C 2.121 179.504 177.584 -0.336 0.000 1.207 370 A CA 2.197 53.883 52.037 -0.586 0.000 0.622 370 A CB -1.074 17.130 19.000 -1.327 0.000 0.846 370 A HN 0.880 nan 8.150 nan 0.000 0.447 371 S N -0.675 114.838 115.700 -0.311 0.000 3.237 371 S HA 0.194 4.664 4.470 -0.000 0.000 0.255 371 S C 0.682 175.205 174.600 -0.127 0.000 1.127 371 S CA 0.674 58.769 58.200 -0.175 0.000 1.254 371 S CB -0.468 62.642 63.200 -0.150 0.000 1.022 371 S HN 0.428 nan 8.310 nan 0.000 0.477 372 L N 1.310 122.439 121.223 -0.157 0.000 3.211 372 L HA 0.577 4.917 4.340 -0.000 0.000 0.175 372 L C 1.632 178.361 176.870 -0.236 0.000 1.378 372 L CA 1.155 55.907 54.840 -0.148 0.000 0.987 372 L CB -1.087 40.875 42.059 -0.162 0.000 1.457 372 L HN 0.362 nan 8.230 nan 0.000 0.628 373 G N 0.534 109.041 108.800 -0.487 0.000 2.991 373 G HA2 0.011 3.971 3.960 -0.000 0.000 0.262 373 G HA3 0.011 3.971 3.960 -0.000 0.000 0.262 373 G C 0.560 174.901 174.900 -0.933 0.000 0.765 373 G CA 0.352 44.702 45.100 -1.251 0.000 2.051 373 G HN 0.509 nan 8.290 nan 0.000 0.602 374 K N -1.135 119.062 120.400 -0.339 0.000 3.104 374 K HA -0.297 4.023 4.320 -0.000 0.000 0.285 374 K C 1.758 178.332 176.600 -0.043 0.000 1.136 374 K CA 1.026 57.282 56.287 -0.050 0.000 0.842 374 K CB -1.077 31.517 32.500 0.156 0.000 1.217 374 K HN 1.331 nan 8.250 nan 0.000 0.467 375 G N -2.187 106.562 108.800 -0.086 0.000 2.284 375 G HA2 -0.361 3.598 3.960 -0.000 0.000 0.230 375 G HA3 -0.361 3.598 3.960 -0.000 0.000 0.230 375 G C 0.758 175.731 174.900 0.121 0.000 1.021 375 G CA 0.245 45.405 45.100 0.100 0.000 0.619 375 G HN 0.147 nan 8.290 nan 0.000 0.510 376 V N 2.209 122.089 119.914 -0.056 0.000 2.227 376 V HA 0.316 4.436 4.120 -0.000 0.000 0.238 376 V C 2.410 178.438 176.094 -0.109 0.000 1.039 376 V CA 2.055 64.323 62.300 -0.054 0.000 0.990 376 V CB -1.088 30.735 31.823 -0.001 0.000 0.635 376 V HN 1.573 nan 8.190 nan 0.000 0.453 377 A N -1.490 121.112 122.820 -0.364 0.000 2.563 377 A HA 0.158 4.477 4.320 -0.000 0.000 0.256 377 A C 0.984 178.487 177.584 -0.136 0.000 1.056 377 A CA 0.785 52.636 52.037 -0.309 0.000 0.775 377 A CB -0.972 17.607 19.000 -0.702 0.000 0.973 377 A HN 1.024 nan 8.150 nan 0.000 0.516 378 c N 0.603 119.212 118.600 0.016 0.000 5.918 378 c HA -0.105 4.465 4.570 -0.000 0.000 0.204 378 c C 0.512 174.750 174.090 0.247 0.000 1.080 378 c CA 0.259 56.668 56.329 0.132 0.000 1.051 378 c CB -2.200 40.379 42.510 0.116 0.000 2.167 378 c HN 1.062 nan 8.230 nan 0.000 0.671 379 N N 1.489 120.277 118.700 0.147 0.000 2.462 379 N HA 0.445 5.185 4.740 -0.000 0.000 0.242 379 N C -0.635 174.858 175.510 -0.027 0.000 1.010 379 N CA -1.279 51.758 53.050 -0.022 0.000 0.939 379 N CB 1.358 39.713 38.487 -0.220 0.000 1.127 379 N HN 0.410 nan 8.380 nan 0.000 0.509 380 P HA 0.202 nan 4.420 nan 0.000 0.236 380 P C -0.461 176.933 177.300 0.158 0.000 1.174 380 P CA 0.172 63.303 63.100 0.051 0.000 0.840 380 P CB 0.609 32.316 31.700 0.011 0.000 0.947 381 A N -0.343 122.562 122.820 0.142 0.000 2.312 381 A HA 0.592 4.912 4.320 -0.000 0.000 0.328 381 A C -0.693 176.994 177.584 0.171 0.000 1.158 381 A CA -0.367 51.787 52.037 0.195 0.000 0.821 381 A CB 0.552 19.688 19.000 0.225 0.000 1.170 381 A HN 0.242 nan 8.150 nan 0.000 0.490 382 c N 1.201 119.923 118.600 0.203 0.000 2.609 382 c HA 0.673 5.242 4.570 -0.000 0.000 0.313 382 c C -1.447 172.734 174.090 0.151 0.000 1.175 382 c CA -0.481 55.941 56.329 0.155 0.000 1.434 382 c CB 1.017 43.622 42.510 0.159 0.000 2.005 382 c HN 0.759 nan 8.230 nan 0.000 0.471 383 F N 5.790 125.640 119.950 -0.166 0.000 2.434 383 F HA 0.705 5.231 4.527 -0.000 0.000 0.355 383 F C -0.455 175.274 175.800 -0.118 0.000 1.115 383 F CA -1.250 56.567 58.000 -0.305 0.000 1.010 383 F CB 0.606 39.290 39.000 -0.528 0.000 1.234 383 F HN 0.409 nan 8.300 nan 0.000 0.439 384 I N 5.013 125.375 120.570 -0.346 0.000 2.339 384 I HA 0.335 4.505 4.170 -0.000 0.000 0.290 384 I C -0.171 175.663 176.117 -0.473 0.000 0.994 384 I CA -0.618 60.471 61.300 -0.353 0.000 1.191 384 I CB 1.787 39.589 38.000 -0.330 0.000 1.343 384 I HN 0.588 nan 8.210 nan 0.000 0.458 385 T N 2.341 116.665 114.554 -0.383 0.000 2.809 385 T HA 0.281 4.631 4.350 -0.000 0.000 0.296 385 T C -0.417 174.192 174.700 -0.152 0.000 1.015 385 T CA -0.803 61.113 62.100 -0.306 0.000 0.954 385 T CB 1.320 70.012 68.868 -0.294 0.000 0.950 385 T HN 0.640 nan 8.240 nan 0.000 0.450 386 Q N 2.459 122.197 119.800 -0.102 0.000 2.269 386 Q HA 0.103 4.443 4.340 -0.000 0.000 0.300 386 Q C 0.088 176.065 176.000 -0.038 0.000 1.070 386 Q CA -0.206 55.565 55.803 -0.054 0.000 0.957 386 Q CB 0.466 29.192 28.738 -0.020 0.000 1.131 386 Q HN 0.753 nan 8.270 nan 0.000 0.377 387 L N 5.179 126.385 121.223 -0.028 0.000 2.693 387 L HA 0.379 4.719 4.340 -0.000 0.000 0.235 387 L C -1.167 175.704 176.870 0.001 0.000 1.127 387 L CA 0.353 55.184 54.840 -0.014 0.000 0.914 387 L CB 0.695 42.745 42.059 -0.016 0.000 1.193 387 L HN 0.580 nan 8.230 nan 0.000 0.502 388 L N -0.893 120.332 121.223 0.004 0.000 2.789 388 L HA 0.367 4.707 4.340 -0.000 0.000 0.258 388 L C -2.289 174.592 176.870 0.019 0.000 0.966 388 L CA -0.553 54.295 54.840 0.014 0.000 0.916 388 L CB 1.777 43.831 42.059 -0.008 0.000 1.475 388 L HN -0.283 nan 8.230 nan 0.000 0.418 389 P HA 0.074 nan 4.420 nan 0.000 0.255 389 P C 0.282 177.645 177.300 0.105 0.000 1.357 389 P CA 0.586 63.730 63.100 0.074 0.000 0.839 389 P CB 0.279 32.040 31.700 0.102 0.000 1.356 390 V N -5.014 114.939 119.914 0.066 0.000 3.486 390 V HA 0.327 4.447 4.120 -0.000 0.000 0.335 390 V C 0.493 176.607 176.094 0.034 0.000 1.506 390 V CA -0.891 61.443 62.300 0.057 0.000 1.206 390 V CB -0.941 30.913 31.823 0.051 0.000 1.049 390 V HN -0.060 nan 8.190 nan 0.000 0.502 391 K N 1.593 122.008 120.400 0.025 0.000 4.768 391 K HA -0.245 4.075 4.320 -0.000 0.000 0.286 391 K C 0.151 176.755 176.600 0.007 0.000 0.770 391 K CA 0.689 56.981 56.287 0.010 0.000 0.824 391 K CB -0.519 31.989 32.500 0.014 0.000 1.900 391 K HN 0.806 nan 8.250 nan 0.000 0.407 392 R N 2.209 122.709 120.500 -0.001 0.000 2.787 392 R HA 0.294 4.634 4.340 -0.000 0.000 0.271 392 R C -0.582 175.705 176.300 -0.022 0.000 0.993 392 R CA -0.831 55.272 56.100 0.004 0.000 0.993 392 R CB 1.086 31.396 30.300 0.016 0.000 1.155 392 R HN 0.232 nan 8.270 nan 0.000 0.486 393 K N 3.675 124.073 120.400 -0.002 0.000 2.244 393 K HA 0.265 4.585 4.320 -0.000 0.000 0.263 393 K C -0.323 176.277 176.600 -0.001 0.000 1.103 393 K CA -0.221 56.048 56.287 -0.029 0.000 0.966 393 K CB 0.390 32.931 32.500 0.069 0.000 1.429 393 K HN 0.405 nan 8.250 nan 0.000 0.434 394 L N 1.155 122.343 121.223 -0.059 0.000 2.472 394 L HA 0.219 4.559 4.340 -0.000 0.000 0.260 394 L C 1.481 178.435 176.870 0.139 0.000 1.209 394 L CA -0.396 54.490 54.840 0.076 0.000 0.817 394 L CB 0.367 42.506 42.059 0.134 0.000 1.106 394 L HN 0.590 nan 8.230 nan 0.000 0.479 395 G N 0.242 109.203 108.800 0.269 0.000 2.481 395 G HA2 0.215 4.175 3.960 -0.000 0.000 0.251 395 G HA3 0.215 4.175 3.960 -0.000 0.000 0.251 395 G C -0.500 174.750 174.900 0.583 0.000 1.492 395 G CA -0.551 44.816 45.100 0.446 0.000 1.060 395 G HN 0.333 nan 8.290 nan 0.000 0.553 396 F N -1.362 118.724 119.950 0.226 0.000 2.377 396 F HA 0.491 5.018 4.527 -0.000 0.000 0.328 396 F C -0.611 175.183 175.800 -0.010 0.000 1.094 396 F CA -0.387 57.772 58.000 0.265 0.000 1.093 396 F CB 1.551 40.633 39.000 0.136 0.000 1.214 396 F HN 0.133 nan 8.300 nan 0.000 0.518 397 Y N 0.940 121.396 120.300 0.259 0.000 2.361 397 Y HA 0.335 4.885 4.550 -0.000 0.000 0.337 397 Y C -0.238 175.756 175.900 0.157 0.000 0.965 397 Y CA -1.131 57.064 58.100 0.158 0.000 1.091 397 Y CB 1.405 39.913 38.460 0.079 0.000 1.182 397 Y HN 0.460 nan 8.280 nan 0.000 0.450 398 E N 1.085 121.419 120.200 0.222 0.000 2.349 398 E HA 0.034 4.384 4.350 -0.000 0.000 0.262 398 E C 0.103 176.851 176.600 0.247 0.000 1.088 398 E CA -0.283 56.245 56.400 0.214 0.000 0.899 398 E CB 0.416 30.206 29.700 0.150 0.000 1.044 398 E HN 0.721 nan 8.360 nan 0.000 0.420 399 W N 1.667 123.001 121.300 0.058 0.000 2.341 399 W HA -0.214 4.445 4.660 -0.000 0.000 0.283 399 W C 1.771 178.305 176.519 0.026 0.000 1.215 399 W CA 2.234 59.597 57.345 0.030 0.000 1.211 399 W CB -0.147 29.320 29.460 0.013 0.000 1.131 399 W HN 0.659 nan 8.180 nan 0.000 0.552 400 T N -3.586 111.054 114.554 0.142 0.000 3.057 400 T HA 0.147 4.497 4.350 -0.000 0.000 0.254 400 T C 1.073 175.770 174.700 -0.005 0.000 1.094 400 T CA 0.338 62.443 62.100 0.010 0.000 1.088 400 T CB -0.490 68.418 68.868 0.067 0.000 0.934 400 T HN -0.141 nan 8.240 nan 0.000 0.497 401 S N 1.866 117.601 115.700 0.059 0.000 2.558 401 S HA 0.215 4.685 4.470 -0.000 0.000 0.291 401 S C 0.110 174.755 174.600 0.076 0.000 1.306 401 S CA -0.314 57.937 58.200 0.085 0.000 1.056 401 S CB 0.381 63.680 63.200 0.165 0.000 0.836 401 S HN 0.470 nan 8.310 nan 0.000 0.504 402 R N 1.785 122.326 120.500 0.068 0.000 2.387 402 R HA 0.436 4.775 4.340 -0.000 0.000 0.314 402 R C -1.143 175.211 176.300 0.089 0.000 0.958 402 R CA -0.807 55.303 56.100 0.018 0.000 0.846 402 R CB 0.655 30.933 30.300 -0.036 0.000 1.147 402 R HN 0.460 nan 8.270 nan 0.000 0.447 403 L N 4.532 125.772 121.223 0.028 0.000 2.292 403 L HA 0.480 4.820 4.340 -0.000 0.000 0.284 403 L C -0.669 176.176 176.870 -0.041 0.000 1.065 403 L CA 0.083 54.939 54.840 0.028 0.000 0.806 403 L CB 1.057 43.009 42.059 -0.178 0.000 1.175 403 L HN 0.649 nan 8.230 nan 0.000 0.431 404 R N 3.502 124.011 120.500 0.016 0.000 2.670 404 R HA 0.809 5.149 4.340 -0.000 0.000 0.289 404 R C -1.395 174.916 176.300 0.019 0.000 0.965 404 R CA -0.380 55.700 56.100 -0.033 0.000 0.899 404 R CB 1.609 31.895 30.300 -0.024 0.000 1.173 404 R HN 0.782 nan 8.270 nan 0.000 0.456 405 S N 1.381 117.074 115.700 -0.012 0.000 2.552 405 S HA 0.339 4.809 4.470 -0.000 0.000 0.272 405 S C -1.739 172.895 174.600 0.057 0.000 1.150 405 S CA -0.762 57.492 58.200 0.089 0.000 0.849 405 S CB 0.950 64.192 63.200 0.072 0.000 1.113 405 S HN 0.714 nan 8.310 nan 0.000 0.458 406 H N 2.396 121.513 119.070 0.078 0.000 2.467 406 H HA 0.593 5.149 4.556 -0.000 0.000 0.331 406 H C -0.616 174.784 175.328 0.120 0.000 1.120 406 H CA -0.416 55.700 56.048 0.113 0.000 1.270 406 H CB 1.157 30.974 29.762 0.092 0.000 1.466 406 H HN 0.402 nan 8.280 nan 0.000 0.504 407 I N 2.774 123.510 120.570 0.276 0.000 2.499 407 I HA 0.085 4.255 4.170 -0.000 0.000 0.288 407 I C -0.201 176.023 176.117 0.179 0.000 1.048 407 I CA -0.927 60.504 61.300 0.219 0.000 1.062 407 I CB 1.703 39.869 38.000 0.276 0.000 1.238 407 I HN 0.488 nan 8.210 nan 0.000 0.426 408 N N 6.200 124.966 118.700 0.111 0.000 2.482 408 N HA 0.227 4.967 4.740 -0.000 0.000 0.260 408 N C -2.506 173.021 175.510 0.028 0.000 1.236 408 N CA -1.479 51.610 53.050 0.065 0.000 0.938 408 N CB 0.152 38.664 38.487 0.042 0.000 1.128 408 N HN 0.212 nan 8.380 nan 0.000 0.448 409 P HA -0.034 nan 4.420 nan 0.000 0.264 409 P C 0.524 177.774 177.300 -0.082 0.000 1.193 409 P CA 0.847 63.933 63.100 -0.023 0.000 0.763 409 P CB 0.200 31.888 31.700 -0.020 0.000 0.810 410 T N -0.517 114.002 114.554 -0.059 0.000 7.366 410 T HA -0.193 4.157 4.350 -0.000 0.000 0.298 410 T C 0.669 175.182 174.700 -0.312 0.000 2.046 410 T CA 1.108 63.087 62.100 -0.202 0.000 3.126 410 T CB -2.238 66.267 68.868 -0.606 0.000 2.130 410 T HN 0.631 nan 8.240 nan 0.000 1.215 411 G N -0.693 108.017 108.800 -0.150 0.000 2.532 411 G HA2 0.655 4.615 3.960 -0.000 0.000 0.291 411 G HA3 0.655 4.615 3.960 -0.000 0.000 0.291 411 G C -0.641 174.223 174.900 -0.060 0.000 1.349 411 G CA -0.047 44.967 45.100 -0.145 0.000 1.038 411 G HN 0.835 nan 8.290 nan 0.000 0.518 412 T N -0.979 113.535 114.554 -0.065 0.000 3.041 412 T HA 0.403 4.753 4.350 -0.000 0.000 0.321 412 T C -1.099 173.591 174.700 -0.016 0.000 1.184 412 T CA -0.328 61.757 62.100 -0.025 0.000 1.050 412 T CB 1.934 70.769 68.868 -0.056 0.000 1.159 412 T HN 0.359 nan 8.240 nan 0.000 0.469 413 V N 3.651 123.574 119.914 0.016 0.000 2.328 413 V HA 0.473 4.593 4.120 -0.000 0.000 0.278 413 V C -0.487 175.610 176.094 0.006 0.000 1.021 413 V CA -0.726 61.584 62.300 0.017 0.000 0.838 413 V CB 1.185 33.031 31.823 0.037 0.000 0.999 413 V HN 0.713 nan 8.190 nan 0.000 0.447 414 L N 7.507 128.727 121.223 -0.005 0.000 2.275 414 L HA 0.631 4.971 4.340 -0.000 0.000 0.288 414 L C -0.613 176.249 176.870 -0.013 0.000 1.046 414 L CA 0.414 55.250 54.840 -0.006 0.000 0.805 414 L CB 0.863 42.914 42.059 -0.013 0.000 1.193 414 L HN 0.499 nan 8.230 nan 0.000 0.426 415 L N 4.400 125.614 121.223 -0.015 0.000 2.323 415 L HA 0.619 4.959 4.340 -0.000 0.000 0.265 415 L C -0.649 176.205 176.870 -0.027 0.000 1.012 415 L CA -0.704 54.113 54.840 -0.040 0.000 0.820 415 L CB 2.001 44.020 42.059 -0.066 0.000 1.334 415 L HN 0.615 nan 8.230 nan 0.000 0.427 416 Q N 2.046 121.816 119.800 -0.050 0.000 2.292 416 Q HA 0.528 4.868 4.340 -0.000 0.000 0.270 416 Q C -2.004 173.971 176.000 -0.042 0.000 1.024 416 Q CA -0.749 55.041 55.803 -0.020 0.000 0.768 416 Q CB 1.946 30.672 28.738 -0.019 0.000 1.250 416 Q HN 0.409 nan 8.270 nan 0.000 0.447 417 L N 3.124 124.358 121.223 0.019 0.000 2.317 417 L HA 0.503 4.843 4.340 -0.000 0.000 0.281 417 L C -0.306 176.614 176.870 0.082 0.000 1.024 417 L CA -0.329 54.520 54.840 0.014 0.000 0.810 417 L CB 1.606 43.667 42.059 0.003 0.000 1.240 417 L HN 0.545 nan 8.230 nan 0.000 0.427 418 E N 2.121 122.366 120.200 0.074 0.000 2.187 418 E HA 0.319 4.669 4.350 -0.000 0.000 0.268 418 E C -0.958 175.702 176.600 0.100 0.000 0.896 418 E CA -0.569 55.897 56.400 0.109 0.000 0.766 418 E CB 2.219 32.002 29.700 0.137 0.000 1.142 418 E HN 0.377 nan 8.360 nan 0.000 0.408 419 N N 1.128 119.890 118.700 0.103 0.000 2.455 419 N HA 0.090 4.830 4.740 -0.000 0.000 0.280 419 N C 0.471 176.030 175.510 0.081 0.000 1.055 419 N CA -0.005 53.099 53.050 0.090 0.000 0.961 419 N CB 1.163 39.705 38.487 0.093 0.000 1.121 419 N HN 0.168 nan 8.380 nan 0.000 0.476 420 T N 4.128 118.734 114.554 0.087 0.000 2.996 420 T HA -0.119 4.231 4.350 -0.000 0.000 0.271 420 T C 1.032 175.773 174.700 0.070 0.000 1.126 420 T CA 0.690 62.844 62.100 0.090 0.000 1.103 420 T CB -0.472 68.473 68.868 0.129 0.000 0.870 420 T HN 0.738 nan 8.240 nan 0.000 0.528 421 M N 0.000 119.637 119.600 0.062 0.000 2.572 421 M HA 0.000 4.480 4.480 -0.000 0.000 0.227 421 M CA 0.000 55.330 55.300 0.050 0.000 0.988 421 M CB 0.000 32.631 32.600 0.051 0.000 1.302 421 M HN 0.000 nan 8.290 nan 0.000 0.411