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 1q57_1_C DATA FIRST_RESID 64 DATA SEQUENCE MTYNVWNFGE SNGRYSALTA RGISKETCQK AGYWIAKVDG VMYQVADYRD DATA SEQUENCE QNGNIVSQKV RDKDKNFKTT GSHKSDALFG KHLWNGGKKI VVTEGEIDML DATA SEQUENCE TVMELQDCKY PVVSLGHGAS AAKKTCAANY EYFDQFEQII LMFDMDEAGR DATA SEQUENCE KAVEEAAQVL PAGKVRVAVL PCKDANECHL NGHDREIMEQ VWNAGPWIPD DATA SEQUENCE GVVSALSLRE RIREHLSSEE SVGLLFSGCT GINDKTLGAR GGEVIMVTSG DATA SEQUENCE SGMVMSTFVR QQALQWGTAM GKKVGLAMLE ESVEETAEDL IGLHNRVRLR DATA SEQUENCE QSDSLKREII ENGKFDQWFD ELFGNDTFHL YDSFXXXETD RLLAKLAYMR DATA SEQUENCE SGLGCDVIIL DHISIVVSAS GESDERKMID NLMTKLKGFA KSTGVVLVVI DATA SEQUENCE CHLKNPDKGK AHEEGRPVSI TDLRGSGALR QLSDTIIALE RNQQGDMPNL DATA SEQUENCE VLVRILKCRF TGDTGIAGYM EYNKETGWLE PSSYSG 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 64 M HA 0.000 nan 4.480 nan 0.000 0.227 64 M C 0.000 176.278 176.300 -0.037 0.000 1.140 64 M CA 0.000 55.287 55.300 -0.021 0.000 0.988 64 M CB 0.000 nan 32.600 nan 0.000 1.302 65 T N -0.741 113.813 114.554 -0.000 0.000 2.899 65 T HA 0.642 4.992 4.350 -0.001 0.000 0.295 65 T C -0.068 174.667 174.700 0.059 0.000 1.033 65 T CA 0.002 62.118 62.100 0.027 0.000 1.084 65 T CB 0.065 68.977 68.868 0.074 0.000 0.979 65 T HN 1.072 nan 8.240 nan 0.000 0.532 66 Y N 3.365 123.691 120.300 0.044 0.000 2.846 66 Y HA -0.003 4.546 4.550 -0.001 0.000 0.352 66 Y C 1.366 177.319 175.900 0.088 0.000 1.298 66 Y CA -0.013 58.125 58.100 0.063 0.000 1.634 66 Y CB -0.187 38.300 38.460 0.044 0.000 1.214 66 Y HN 0.651 nan 8.280 nan 0.000 0.529 67 N N 2.226 121.082 118.700 0.259 0.000 2.356 67 N HA -0.016 4.723 4.740 -0.001 0.000 0.252 67 N C -0.665 175.019 175.510 0.290 0.000 1.241 67 N CA -0.083 53.099 53.050 0.220 0.000 0.861 67 N CB 0.499 39.091 38.487 0.174 0.000 1.075 67 N HN 0.327 nan 8.380 nan 0.000 0.461 68 V N 0.721 120.774 119.914 0.231 0.000 2.673 68 V HA -0.015 4.105 4.120 -0.001 0.000 0.303 68 V C 0.344 176.666 176.094 0.381 0.000 1.046 68 V CA -0.594 61.864 62.300 0.263 0.000 1.126 68 V CB -0.122 31.819 31.823 0.197 0.000 0.934 68 V HN 0.464 nan 8.190 nan 0.000 0.487 69 W N 3.509 124.900 121.300 0.152 0.000 2.419 69 W HA 0.315 4.975 4.660 -0.001 0.000 0.312 69 W C 0.654 177.294 176.519 0.201 0.000 1.323 69 W CA -0.899 56.557 57.345 0.185 0.000 1.293 69 W CB -0.526 29.075 29.460 0.236 0.000 1.324 69 W HN 0.621 nan 8.180 nan 0.000 0.512 70 N N 3.131 121.953 118.700 0.203 0.000 2.497 70 N HA 0.075 4.815 4.740 -0.001 0.000 0.271 70 N C -0.663 174.847 175.510 -0.000 0.000 1.142 70 N CA -0.698 52.400 53.050 0.080 0.000 0.965 70 N CB 0.494 38.995 38.487 0.024 0.000 1.077 70 N HN 0.148 nan 8.380 nan 0.000 0.462 71 F N 2.388 122.131 119.950 -0.346 0.000 2.506 71 F HA 0.309 4.836 4.527 -0.001 0.000 0.371 71 F C 1.362 176.985 175.800 -0.296 0.000 1.078 71 F CA 0.756 58.397 58.000 -0.598 0.000 1.195 71 F CB -0.105 38.404 39.000 -0.819 0.000 1.099 71 F HN 0.718 nan 8.300 nan 0.000 0.548 72 G N 4.599 113.428 108.800 0.048 0.000 2.850 72 G HA2 -0.284 3.675 3.960 -0.001 0.000 0.207 72 G HA3 -0.284 3.675 3.960 -0.001 0.000 0.207 72 G C 1.335 176.223 174.900 -0.019 0.000 1.302 72 G CA 0.162 45.315 45.100 0.088 0.000 0.832 72 G HN 0.521 nan 8.290 nan 0.000 0.543 73 E N 1.264 121.441 120.200 -0.037 0.000 2.068 73 E HA -0.128 4.222 4.350 -0.001 0.000 0.207 73 E C 1.479 177.996 176.600 -0.139 0.000 1.032 73 E CA 1.691 58.041 56.400 -0.083 0.000 0.839 73 E CB -0.325 29.322 29.700 -0.089 0.000 0.758 73 E HN 0.746 nan 8.360 nan 0.000 0.457 74 S N 0.853 116.455 115.700 -0.163 0.000 2.499 74 S HA 0.243 4.713 4.470 -0.001 0.000 0.279 74 S C -0.216 174.327 174.600 -0.094 0.000 1.219 74 S CA -0.691 57.390 58.200 -0.197 0.000 1.062 74 S CB 0.668 63.682 63.200 -0.309 0.000 0.978 74 S HN 0.095 nan 8.310 nan 0.000 0.489 75 N N 2.250 120.893 118.700 -0.094 0.000 2.814 75 N HA 0.212 4.952 4.740 -0.001 0.000 0.304 75 N C 0.527 175.976 175.510 -0.101 0.000 1.211 75 N CA -0.317 52.689 53.050 -0.074 0.000 1.158 75 N CB -0.005 38.454 38.487 -0.047 0.000 1.458 75 N HN 0.806 nan 8.380 nan 0.000 0.519 76 G N 1.306 109.936 108.800 -0.283 0.000 2.415 76 G HA2 0.432 4.391 3.960 -0.001 0.000 0.269 76 G HA3 0.432 4.391 3.960 -0.001 0.000 0.269 76 G C -0.143 174.538 174.900 -0.364 0.000 1.209 76 G CA -0.576 44.153 45.100 -0.618 0.000 0.835 76 G HN 0.443 nan 8.290 nan 0.000 0.534 77 R N 0.410 120.838 120.500 -0.120 0.000 2.651 77 R HA 0.224 4.563 4.340 -0.001 0.000 0.278 77 R C -1.737 174.678 176.300 0.191 0.000 1.010 77 R CA -0.871 55.300 56.100 0.118 0.000 0.896 77 R CB 1.855 32.215 30.300 0.101 0.000 1.211 77 R HN 0.481 nan 8.270 nan 0.000 0.456 78 Y N 1.710 122.217 120.300 0.345 0.000 2.714 78 Y HA 0.185 4.735 4.550 -0.001 0.000 0.333 78 Y C 0.546 176.563 175.900 0.195 0.000 1.220 78 Y CA -0.637 57.639 58.100 0.292 0.000 1.513 78 Y CB 0.399 39.020 38.460 0.268 0.000 1.435 78 Y HN 0.521 nan 8.280 nan 0.000 0.489 79 S N 1.071 116.953 115.700 0.303 0.000 2.651 79 S HA 0.853 5.323 4.470 -0.001 0.000 0.291 79 S C 0.032 174.748 174.600 0.194 0.000 1.141 79 S CA -0.917 57.405 58.200 0.203 0.000 1.027 79 S CB 1.655 64.936 63.200 0.135 0.000 1.043 79 S HN 0.603 nan 8.310 nan 0.000 0.530 80 A N 2.434 125.345 122.820 0.152 0.000 2.450 80 A HA 0.465 4.784 4.320 -0.001 0.000 0.255 80 A C 0.264 177.925 177.584 0.128 0.000 1.096 80 A CA -0.667 51.454 52.037 0.141 0.000 0.778 80 A CB -0.529 18.538 19.000 0.111 0.000 1.031 80 A HN 0.904 nan 8.150 nan 0.000 0.494 81 L N 3.820 125.132 121.223 0.148 0.000 2.462 81 L HA 0.112 4.452 4.340 -0.001 0.000 0.283 81 L C 1.766 178.689 176.870 0.089 0.000 1.166 81 L CA 0.110 55.028 54.840 0.129 0.000 0.964 81 L CB -0.455 41.705 42.059 0.168 0.000 1.294 81 L HN 0.993 nan 8.230 nan 0.000 0.449 82 T N -1.739 112.854 114.554 0.065 0.000 2.915 82 T HA -0.140 4.210 4.350 -0.001 0.000 0.269 82 T C 1.739 176.454 174.700 0.025 0.000 1.071 82 T CA 0.872 62.998 62.100 0.043 0.000 1.132 82 T CB 0.076 68.964 68.868 0.033 0.000 0.878 82 T HN 0.582 nan 8.240 nan 0.000 0.479 83 A N 1.289 124.125 122.820 0.026 0.000 2.168 83 A HA 0.147 4.466 4.320 -0.001 0.000 0.215 83 A C 2.289 179.878 177.584 0.009 0.000 1.152 83 A CA 0.366 52.410 52.037 0.010 0.000 0.716 83 A CB -0.140 18.865 19.000 0.009 0.000 0.794 83 A HN 0.353 nan 8.150 nan 0.000 0.465 84 R N -1.897 118.621 120.500 0.030 0.000 2.531 84 R HA 0.199 4.538 4.340 -0.001 0.000 0.316 84 R C 0.958 177.302 176.300 0.074 0.000 0.955 84 R CA 0.599 56.725 56.100 0.042 0.000 1.120 84 R CB -0.269 30.066 30.300 0.058 0.000 1.361 84 R HN 0.722 nan 8.270 nan 0.000 0.534 85 G N 2.367 111.199 108.800 0.053 0.000 2.273 85 G HA2 -0.223 3.737 3.960 -0.001 0.000 0.280 85 G HA3 -0.223 3.737 3.960 -0.001 0.000 0.280 85 G C -0.016 175.039 174.900 0.259 0.000 1.047 85 G CA 0.063 45.221 45.100 0.098 0.000 0.869 85 G HN 0.141 nan 8.290 nan 0.000 0.502 86 I N 1.569 122.236 120.570 0.162 0.000 2.339 86 I HA 0.335 4.504 4.170 -0.001 0.000 0.290 86 I C 1.201 177.394 176.117 0.126 0.000 0.994 86 I CA -0.695 60.687 61.300 0.136 0.000 1.191 86 I CB 1.144 39.209 38.000 0.109 0.000 1.343 86 I HN 0.366 nan 8.210 nan 0.000 0.458 87 S N 5.493 121.261 115.700 0.113 0.000 2.589 87 S HA 0.148 4.618 4.470 -0.001 0.000 0.265 87 S C 1.140 175.808 174.600 0.112 0.000 1.342 87 S CA -0.492 57.769 58.200 0.102 0.000 1.005 87 S CB 1.538 64.789 63.200 0.085 0.000 0.909 87 S HN 0.735 nan 8.310 nan 0.000 0.555 88 K N 0.664 121.130 120.400 0.110 0.000 2.025 88 K HA -0.145 4.175 4.320 -0.001 0.000 0.207 88 K C 2.044 178.707 176.600 0.105 0.000 1.049 88 K CA 1.497 57.862 56.287 0.130 0.000 0.933 88 K CB -0.315 32.261 32.500 0.127 0.000 0.714 88 K HN 0.773 nan 8.250 nan 0.000 0.438 89 E N -0.196 120.048 120.200 0.074 0.000 2.160 89 E HA -0.181 4.169 4.350 -0.001 0.000 0.195 89 E C 1.556 178.170 176.600 0.023 0.000 0.991 89 E CA 1.557 57.980 56.400 0.039 0.000 0.810 89 E CB 0.049 29.771 29.700 0.037 0.000 0.742 89 E HN 0.404 nan 8.360 nan 0.000 0.466 90 T N -0.031 114.555 114.554 0.054 0.000 2.639 90 T HA -0.160 4.189 4.350 -0.001 0.000 0.261 90 T C 1.986 176.731 174.700 0.076 0.000 1.053 90 T CA 1.320 63.456 62.100 0.060 0.000 1.158 90 T CB -0.471 68.441 68.868 0.073 0.000 0.863 90 T HN 0.330 nan 8.240 nan 0.000 0.413 91 C N 1.688 121.071 119.300 0.138 0.000 2.392 91 C HA -0.125 4.334 4.460 -0.001 0.000 0.276 91 C C 2.883 177.917 174.990 0.073 0.000 1.212 91 C CA 0.695 59.856 59.018 0.238 0.000 1.791 91 C CB -1.153 26.799 27.740 0.354 0.000 2.063 91 C HN 0.563 nan 8.230 nan 0.000 0.481 92 Q N 0.651 120.367 119.800 -0.140 0.000 2.124 92 Q HA -0.170 4.170 4.340 -0.001 0.000 0.202 92 Q C 2.284 178.047 176.000 -0.395 0.000 0.977 92 Q CA 1.477 56.925 55.803 -0.592 0.000 0.850 92 Q CB -0.080 28.433 28.738 -0.374 0.000 0.901 92 Q HN 0.719 nan 8.270 nan 0.000 0.429 93 K N -0.703 119.604 120.400 -0.154 0.000 2.098 93 K HA 0.037 4.356 4.320 -0.001 0.000 0.203 93 K C 1.912 178.465 176.600 -0.078 0.000 1.051 93 K CA 0.961 57.182 56.287 -0.110 0.000 0.957 93 K CB -0.028 32.425 32.500 -0.077 0.000 0.738 93 K HN 0.045 nan 8.250 nan 0.000 0.447 94 A N 1.153 123.967 122.820 -0.010 0.000 2.167 94 A HA 0.171 4.490 4.320 -0.001 0.000 0.214 94 A C 1.209 178.920 177.584 0.211 0.000 1.151 94 A CA 0.870 52.888 52.037 -0.031 0.000 0.735 94 A CB -0.360 18.632 19.000 -0.013 0.000 0.802 94 A HN 0.438 nan 8.150 nan 0.000 0.467 95 G N -1.916 107.069 108.800 0.307 0.000 2.370 95 G HA2 -0.246 3.714 3.960 -0.001 0.000 0.268 95 G HA3 -0.246 3.714 3.960 -0.001 0.000 0.268 95 G C -0.350 175.015 174.900 0.775 0.000 1.122 95 G CA 0.146 45.564 45.100 0.530 0.000 0.963 95 G HN 0.673 nan 8.290 nan 0.000 0.500 96 Y N 2.557 123.170 120.300 0.522 0.000 2.721 96 Y HA 0.570 5.120 4.550 -0.001 0.000 0.328 96 Y C 0.526 176.740 175.900 0.523 0.000 1.003 96 Y CA -1.945 56.395 58.100 0.400 0.000 1.275 96 Y CB 0.112 38.724 38.460 0.255 0.000 1.097 96 Y HN 0.439 nan 8.280 nan 0.000 0.514 97 W N 5.625 127.021 121.300 0.159 0.000 2.576 97 W HA 0.705 5.365 4.660 -0.001 0.000 0.360 97 W C -1.824 174.597 176.519 -0.164 0.000 1.109 97 W CA -1.812 55.601 57.345 0.114 0.000 1.237 97 W CB 0.659 30.146 29.460 0.044 0.000 1.369 97 W HN 0.236 nan 8.180 nan 0.000 0.609 98 I N 2.602 123.142 120.570 -0.051 0.000 2.388 98 I HA 0.418 4.587 4.170 -0.001 0.000 0.281 98 I C 0.645 176.678 176.117 -0.140 0.000 1.046 98 I CA -0.386 60.799 61.300 -0.192 0.000 1.187 98 I CB 0.638 38.599 38.000 -0.064 0.000 1.351 98 I HN 0.535 nan 8.210 nan 0.000 0.472 99 A N 6.470 129.117 122.820 -0.288 0.000 2.257 99 A HA 0.917 5.236 4.320 -0.001 0.000 0.290 99 A C -0.111 177.469 177.584 -0.006 0.000 1.201 99 A CA -0.499 51.482 52.037 -0.093 0.000 0.863 99 A CB 0.712 19.650 19.000 -0.104 0.000 1.256 99 A HN 0.608 nan 8.150 nan 0.000 0.506 100 K N 0.082 120.478 120.400 -0.007 0.000 2.729 100 K HA 0.469 4.788 4.320 -0.001 0.000 0.269 100 K C -1.881 174.688 176.600 -0.050 0.000 1.065 100 K CA -0.394 55.919 56.287 0.043 0.000 1.000 100 K CB 0.711 33.230 32.500 0.033 0.000 1.283 100 K HN 0.262 nan 8.250 nan 0.000 0.491 101 V N 1.611 121.460 119.914 -0.108 0.000 2.483 101 V HA 0.174 4.294 4.120 -0.001 0.000 0.295 101 V C 0.347 176.391 176.094 -0.084 0.000 1.035 101 V CA -0.213 61.947 62.300 -0.235 0.000 0.896 101 V CB 1.039 32.518 31.823 -0.573 0.000 0.986 101 V HN 0.916 nan 8.190 nan 0.000 0.447 102 D N 3.086 123.438 120.400 -0.080 0.000 3.070 102 D HA -0.193 4.447 4.640 -0.001 0.000 0.220 102 D C 1.117 177.428 176.300 0.018 0.000 1.176 102 D CA 2.040 56.023 54.000 -0.028 0.000 0.924 102 D CB -0.964 39.822 40.800 -0.023 0.000 1.124 102 D HN 1.286 nan 8.370 nan 0.000 0.411 103 G N -2.718 106.101 108.800 0.031 0.000 3.180 103 G HA2 -0.174 3.785 3.960 -0.001 0.000 0.197 103 G HA3 -0.174 3.785 3.960 -0.001 0.000 0.197 103 G C 0.149 175.083 174.900 0.057 0.000 1.149 103 G CA -0.205 44.917 45.100 0.036 0.000 0.847 103 G HN 0.476 nan 8.290 nan 0.000 0.469 104 V N 3.111 123.100 119.914 0.126 0.000 2.644 104 V HA 0.663 4.782 4.120 -0.001 0.000 0.295 104 V C 0.682 176.866 176.094 0.150 0.000 1.053 104 V CA 0.035 62.383 62.300 0.080 0.000 0.987 104 V CB 1.668 33.487 31.823 -0.007 0.000 1.006 104 V HN 0.574 nan 8.190 nan 0.000 0.472 105 M N 5.621 125.207 119.600 -0.022 0.000 2.063 105 M HA 0.450 4.930 4.480 -0.001 0.000 0.348 105 M C -1.888 174.363 176.300 -0.083 0.000 1.180 105 M CA -0.256 55.055 55.300 0.019 0.000 1.059 105 M CB 0.400 32.981 32.600 -0.032 0.000 1.544 105 M HN 0.582 nan 8.290 nan 0.000 0.447 106 Y N 2.485 122.722 120.300 -0.105 0.000 2.361 106 Y HA 0.370 4.919 4.550 -0.001 0.000 0.332 106 Y C 0.003 175.697 175.900 -0.344 0.000 1.101 106 Y CA -0.552 57.436 58.100 -0.187 0.000 1.137 106 Y CB 1.195 39.593 38.460 -0.103 0.000 1.207 106 Y HN 0.586 nan 8.280 nan 0.000 0.463 107 Q N 2.064 121.688 119.800 -0.294 0.000 2.349 107 Q HA 0.506 4.845 4.340 -0.001 0.000 0.254 107 Q C -1.414 174.188 176.000 -0.663 0.000 0.980 107 Q CA -0.519 54.978 55.803 -0.510 0.000 0.924 107 Q CB 0.721 29.210 28.738 -0.415 0.000 1.209 107 Q HN 0.540 nan 8.270 nan 0.000 0.445 108 V N 2.117 121.469 119.914 -0.936 0.000 2.370 108 V HA 0.677 4.796 4.120 -0.001 0.000 0.283 108 V C -0.190 175.545 176.094 -0.599 0.000 1.023 108 V CA -0.988 60.762 62.300 -0.916 0.000 0.857 108 V CB 1.241 32.173 31.823 -1.486 0.000 0.985 108 V HN 0.774 nan 8.190 nan 0.000 0.443 109 A N 3.036 125.729 122.820 -0.212 0.000 2.260 109 A HA 0.634 4.954 4.320 -0.001 0.000 0.314 109 A C -0.442 177.291 177.584 0.248 0.000 1.257 109 A CA -0.463 51.592 52.037 0.031 0.000 0.871 109 A CB 0.319 19.236 19.000 -0.139 0.000 1.166 109 A HN 0.762 nan 8.150 nan 0.000 0.522 110 D N 2.039 122.708 120.400 0.448 0.000 2.396 110 D HA 0.335 4.975 4.640 -0.001 0.000 0.225 110 D C -1.115 175.458 176.300 0.455 0.000 1.121 110 D CA 0.575 54.870 54.000 0.492 0.000 0.853 110 D CB 0.297 41.406 40.800 0.514 0.000 1.043 110 D HN 0.412 nan 8.370 nan 0.000 0.500 111 Y N 2.764 123.270 120.300 0.343 0.000 2.383 111 Y HA 0.261 4.810 4.550 -0.001 0.000 0.344 111 Y C 1.012 177.020 175.900 0.180 0.000 0.986 111 Y CA -0.449 57.846 58.100 0.325 0.000 1.175 111 Y CB 0.640 39.294 38.460 0.322 0.000 1.152 111 Y HN 0.054 nan 8.280 nan 0.000 0.511 112 R N 1.409 122.028 120.500 0.198 0.000 2.778 112 R HA 0.458 4.798 4.340 -0.001 0.000 0.277 112 R C -0.915 175.431 176.300 0.077 0.000 0.977 112 R CA -1.206 54.921 56.100 0.046 0.000 0.950 112 R CB 1.253 31.410 30.300 -0.238 0.000 1.165 112 R HN 0.514 nan 8.270 nan 0.000 0.474 113 D N 0.967 121.396 120.400 0.050 0.000 2.393 113 D HA -0.059 4.581 4.640 -0.001 0.000 0.246 113 D C 0.582 176.908 176.300 0.043 0.000 1.275 113 D CA -0.408 53.614 54.000 0.036 0.000 0.979 113 D CB 0.493 41.310 40.800 0.030 0.000 1.101 113 D HN 0.555 nan 8.370 nan 0.000 0.505 114 Q N -0.889 118.929 119.800 0.030 0.000 2.368 114 Q HA -0.141 4.199 4.340 -0.001 0.000 0.210 114 Q C 1.315 177.353 176.000 0.064 0.000 0.982 114 Q CA 0.635 56.478 55.803 0.066 0.000 0.884 114 Q CB -0.237 28.551 28.738 0.084 0.000 0.933 114 Q HN 0.502 nan 8.270 nan 0.000 0.460 115 N N -0.926 117.799 118.700 0.041 0.000 2.446 115 N HA -0.071 4.668 4.740 -0.001 0.000 0.179 115 N C 1.044 176.561 175.510 0.012 0.000 1.054 115 N CA 0.918 53.985 53.050 0.027 0.000 0.905 115 N CB 0.565 39.064 38.487 0.021 0.000 0.973 115 N HN 0.407 nan 8.380 nan 0.000 0.448 116 G N 0.491 109.290 108.800 -0.003 0.000 2.307 116 G HA2 -0.213 3.746 3.960 -0.001 0.000 0.210 116 G HA3 -0.213 3.746 3.960 -0.001 0.000 0.210 116 G C -0.175 174.661 174.900 -0.107 0.000 1.005 116 G CA -0.387 44.675 45.100 -0.063 0.000 0.634 116 G HN 0.372 nan 8.290 nan 0.000 0.496 117 N N 1.717 120.389 118.700 -0.046 0.000 2.518 117 N HA 0.315 5.055 4.740 -0.001 0.000 0.266 117 N C 0.412 175.914 175.510 -0.014 0.000 1.196 117 N CA 0.109 53.143 53.050 -0.025 0.000 0.947 117 N CB 1.189 39.678 38.487 0.003 0.000 1.098 117 N HN 0.342 nan 8.380 nan 0.000 0.450 118 I N 2.031 122.607 120.570 0.009 0.000 2.505 118 I HA -0.056 4.114 4.170 -0.001 0.000 0.287 118 I C 1.279 177.456 176.117 0.099 0.000 1.104 118 I CA -0.251 61.089 61.300 0.066 0.000 1.387 118 I CB 0.535 38.594 38.000 0.097 0.000 1.404 118 I HN 0.350 nan 8.210 nan 0.000 0.528 119 V N 3.683 123.674 119.914 0.128 0.000 3.431 119 V HA 0.074 4.194 4.120 -0.001 0.000 0.253 119 V C 0.672 176.857 176.094 0.153 0.000 1.184 119 V CA 0.423 62.799 62.300 0.125 0.000 1.104 119 V CB -0.364 31.528 31.823 0.115 0.000 0.799 119 V HN 0.889 nan 8.190 nan 0.000 0.462 120 S N -1.055 114.765 115.700 0.201 0.000 2.578 120 S HA 0.682 5.151 4.470 -0.001 0.000 0.272 120 S C -1.349 173.365 174.600 0.190 0.000 1.145 120 S CA -0.798 57.505 58.200 0.171 0.000 0.835 120 S CB 2.539 65.859 63.200 0.200 0.000 1.104 120 S HN 0.152 nan 8.310 nan 0.000 0.458 121 Q N 0.112 119.931 119.800 0.032 0.000 2.394 121 Q HA 0.581 4.921 4.340 -0.001 0.000 0.273 121 Q C -1.542 174.331 176.000 -0.211 0.000 1.089 121 Q CA -0.542 55.265 55.803 0.006 0.000 0.812 121 Q CB 2.188 30.892 28.738 -0.057 0.000 1.353 121 Q HN 0.595 nan 8.270 nan 0.000 0.438 122 K N 2.002 122.332 120.400 -0.117 0.000 2.425 122 K HA 0.477 4.796 4.320 -0.001 0.000 0.259 122 K C -1.361 175.119 176.600 -0.200 0.000 0.978 122 K CA -0.443 55.740 56.287 -0.173 0.000 0.883 122 K CB 1.414 33.886 32.500 -0.046 0.000 1.110 122 K HN 0.380 nan 8.250 nan 0.000 0.436 123 V N 3.375 123.087 119.914 -0.337 0.000 2.547 123 V HA 0.490 4.610 4.120 -0.001 0.000 0.299 123 V C -0.205 175.637 176.094 -0.420 0.000 1.040 123 V CA -0.975 61.031 62.300 -0.491 0.000 0.913 123 V CB 1.513 32.805 31.823 -0.885 0.000 0.992 123 V HN 0.743 nan 8.190 nan 0.000 0.449 124 R N 1.941 122.171 120.500 -0.449 0.000 2.711 124 R HA 0.745 5.084 4.340 -0.001 0.000 0.284 124 R C -1.113 174.934 176.300 -0.422 0.000 0.968 124 R CA -0.605 55.146 56.100 -0.582 0.000 0.924 124 R CB 1.539 31.480 30.300 -0.599 0.000 1.162 124 R HN 0.784 nan 8.270 nan 0.000 0.465 125 D N 1.878 121.992 120.400 -0.476 0.000 2.299 125 D HA 0.211 4.851 4.640 -0.001 0.000 0.243 125 D C 0.416 176.493 176.300 -0.373 0.000 0.982 125 D CA -0.877 52.791 54.000 -0.553 0.000 0.924 125 D CB 1.282 41.622 40.800 -0.767 0.000 1.238 125 D HN 0.734 nan 8.370 nan 0.000 0.484 126 K N 2.068 122.275 120.400 -0.320 0.000 2.023 126 K HA -0.351 3.968 4.320 -0.001 0.000 0.227 126 K C 0.635 177.134 176.600 -0.168 0.000 1.054 126 K CA 2.434 58.596 56.287 -0.209 0.000 0.977 126 K CB -1.434 30.962 32.500 -0.174 0.000 0.733 126 K HN 0.510 nan 8.250 nan 0.000 0.451 127 D N 1.076 121.384 120.400 -0.154 0.000 2.389 127 D HA -0.047 4.592 4.640 -0.001 0.000 0.221 127 D C 0.010 176.257 176.300 -0.089 0.000 0.974 127 D CA 0.975 54.913 54.000 -0.104 0.000 0.923 127 D CB -0.043 40.706 40.800 -0.085 0.000 0.892 127 D HN 0.432 nan 8.370 nan 0.000 0.518 128 K N -1.373 118.949 120.400 -0.130 0.000 3.176 128 K HA -0.086 4.234 4.320 -0.001 0.000 0.248 128 K C -0.689 175.889 176.600 -0.038 0.000 1.315 128 K CA -0.122 56.113 56.287 -0.087 0.000 0.749 128 K CB -1.252 31.238 32.500 -0.017 0.000 1.913 128 K HN 0.089 nan 8.250 nan 0.000 0.547 129 N N -0.289 118.335 118.700 -0.125 0.000 2.491 129 N HA 0.679 5.418 4.740 -0.001 0.000 0.279 129 N C -0.414 174.982 175.510 -0.190 0.000 1.236 129 N CA -0.005 53.021 53.050 -0.040 0.000 0.982 129 N CB 0.539 38.995 38.487 -0.053 0.000 1.194 129 N HN -0.016 nan 8.380 nan 0.000 0.582 130 F N -0.243 119.654 119.950 -0.088 0.000 2.790 130 F HA 0.545 5.071 4.527 -0.001 0.000 0.337 130 F C -0.500 175.203 175.800 -0.161 0.000 1.163 130 F CA -0.570 57.351 58.000 -0.131 0.000 0.997 130 F CB 1.419 40.331 39.000 -0.146 0.000 1.437 130 F HN 0.111 nan 8.300 nan 0.000 0.512 131 K N 0.225 120.603 120.400 -0.036 0.000 2.575 131 K HA 0.310 4.629 4.320 -0.001 0.000 0.271 131 K C -1.382 174.988 176.600 -0.383 0.000 1.013 131 K CA -0.397 55.725 56.287 -0.276 0.000 0.939 131 K CB 1.885 34.172 32.500 -0.356 0.000 1.328 131 K HN 0.565 nan 8.250 nan 0.000 0.450 132 T N 1.559 115.878 114.554 -0.392 0.000 2.770 132 T HA 0.357 4.706 4.350 -0.001 0.000 0.297 132 T C -0.017 174.478 174.700 -0.340 0.000 0.997 132 T CA -0.293 61.579 62.100 -0.379 0.000 0.949 132 T CB 0.458 69.115 68.868 -0.353 0.000 0.941 132 T HN 0.559 nan 8.240 nan 0.000 0.457 133 T N 2.744 117.113 114.554 -0.308 0.000 2.902 133 T HA 0.697 5.046 4.350 -0.001 0.000 0.280 133 T C 1.061 175.762 174.700 0.001 0.000 0.992 133 T CA 0.589 62.617 62.100 -0.121 0.000 1.015 133 T CB 0.666 69.455 68.868 -0.132 0.000 1.044 133 T HN 1.606 nan 8.240 nan 0.000 0.520 134 G N 1.577 110.438 108.800 0.102 0.000 2.562 134 G HA2 -0.148 3.811 3.960 -0.001 0.000 0.250 134 G HA3 -0.148 3.811 3.960 -0.001 0.000 0.250 134 G C -0.154 174.811 174.900 0.108 0.000 1.269 134 G CA -0.123 45.045 45.100 0.113 0.000 0.919 134 G HN 1.412 nan 8.290 nan 0.000 0.574 135 S N 0.043 115.810 115.700 0.111 0.000 2.577 135 S HA 0.448 4.918 4.470 -0.001 0.000 0.294 135 S C -0.398 174.291 174.600 0.148 0.000 1.161 135 S CA -0.347 57.922 58.200 0.114 0.000 1.143 135 S CB 1.144 64.397 63.200 0.088 0.000 0.991 135 S HN 0.767 nan 8.310 nan 0.000 0.475 136 H N 3.714 122.791 119.070 0.013 0.000 3.216 136 H HA 0.208 4.763 4.556 -0.001 0.000 0.263 136 H C 0.561 175.943 175.328 0.090 0.000 1.601 136 H CA 0.047 56.085 56.048 -0.016 0.000 1.509 136 H CB -0.261 29.450 29.762 -0.087 0.000 1.759 136 H HN 0.373 nan 8.280 nan 0.000 0.533 137 K N 1.274 121.689 120.400 0.025 0.000 2.336 137 K HA -0.011 4.309 4.320 -0.001 0.000 0.262 137 K C 1.159 177.762 176.600 0.004 0.000 0.992 137 K CA 0.205 56.501 56.287 0.015 0.000 0.927 137 K CB 0.741 33.250 32.500 0.015 0.000 0.956 137 K HN 0.510 nan 8.250 nan 0.000 0.495 138 S N 1.165 116.842 115.700 -0.038 0.000 2.584 138 S HA -0.121 4.348 4.470 -0.001 0.000 0.240 138 S C 0.860 175.443 174.600 -0.028 0.000 0.975 138 S CA 1.235 59.368 58.200 -0.111 0.000 0.949 138 S CB -0.250 62.886 63.200 -0.107 0.000 0.761 138 S HN 0.670 nan 8.310 nan 0.000 0.536 139 D N 0.623 121.027 120.400 0.007 0.000 2.501 139 D HA 0.257 4.897 4.640 -0.001 0.000 0.224 139 D C 0.220 176.526 176.300 0.010 0.000 1.202 139 D CA -0.332 53.681 54.000 0.021 0.000 0.829 139 D CB -0.119 40.687 40.800 0.009 0.000 1.023 139 D HN 0.178 nan 8.370 nan 0.000 0.499 140 A N 1.042 123.852 122.820 -0.016 0.000 2.520 140 A HA 0.415 4.735 4.320 -0.001 0.000 0.245 140 A C -0.113 177.547 177.584 0.127 0.000 1.072 140 A CA 0.073 52.086 52.037 -0.039 0.000 0.761 140 A CB 0.220 18.914 19.000 -0.509 0.000 1.004 140 A HN 0.440 nan 8.150 nan 0.000 0.499 141 L N 3.144 124.494 121.223 0.213 0.000 2.404 141 L HA 0.313 4.653 4.340 -0.001 0.000 0.272 141 L C -0.925 176.100 176.870 0.259 0.000 0.980 141 L CA -0.502 54.479 54.840 0.235 0.000 0.836 141 L CB 1.680 43.752 42.059 0.022 0.000 1.238 141 L HN 0.848 nan 8.230 nan 0.000 0.408 142 F N 3.659 123.654 119.950 0.074 0.000 2.471 142 F HA 0.544 5.071 4.527 -0.001 0.000 0.365 142 F C 0.985 176.743 175.800 -0.070 0.000 1.095 142 F CA 0.659 58.435 58.000 -0.375 0.000 1.174 142 F CB 0.734 39.245 39.000 -0.814 0.000 1.105 142 F HN 0.720 nan 8.300 nan 0.000 0.535 143 G N 5.128 113.533 108.800 -0.658 0.000 2.253 143 G HA2 -0.323 3.637 3.960 -0.001 0.000 0.209 143 G HA3 -0.323 3.637 3.960 -0.001 0.000 0.209 143 G C 1.382 176.108 174.900 -0.291 0.000 0.997 143 G CA 0.220 44.981 45.100 -0.565 0.000 0.640 143 G HN 0.789 nan 8.290 nan 0.000 0.496 144 K N 0.983 121.325 120.400 -0.097 0.000 2.127 144 K HA -0.273 4.047 4.320 -0.001 0.000 0.208 144 K C 2.133 178.681 176.600 -0.088 0.000 1.047 144 K CA 2.427 58.662 56.287 -0.086 0.000 0.927 144 K CB -0.441 31.866 32.500 -0.321 0.000 0.716 144 K HN 0.827 nan 8.250 nan 0.000 0.450 145 H N -0.627 118.340 119.070 -0.172 0.000 2.524 145 H HA 0.024 4.580 4.556 -0.001 0.000 0.282 145 H C 1.807 176.978 175.328 -0.262 0.000 1.016 145 H CA 1.010 56.968 56.048 -0.150 0.000 1.270 145 H CB -0.227 29.460 29.762 -0.124 0.000 1.394 145 H HN 0.178 nan 8.280 nan 0.000 0.568 146 L N -0.926 119.633 121.223 -1.107 0.000 2.156 146 L HA 0.036 4.375 4.340 -0.001 0.000 0.208 146 L C 0.087 176.388 176.870 -0.948 0.000 1.095 146 L CA 0.412 54.431 54.840 -1.367 0.000 0.770 146 L CB -0.207 40.497 42.059 -2.258 0.000 0.914 146 L HN 0.337 nan 8.230 nan 0.000 0.439 147 W N -0.576 120.772 121.300 0.080 0.000 2.538 147 W HA 0.427 5.087 4.660 -0.001 0.000 0.322 147 W C -0.529 176.141 176.519 0.252 0.000 1.028 147 W CA -0.640 56.831 57.345 0.211 0.000 1.228 147 W CB 0.410 30.085 29.460 0.358 0.000 1.356 147 W HN -0.241 nan 8.180 nan 0.000 0.452 148 N N 2.591 121.448 118.700 0.261 0.000 2.746 148 N HA 0.586 5.325 4.740 -0.001 0.000 0.250 148 N C -0.085 175.344 175.510 -0.135 0.000 1.146 148 N CA 0.280 53.361 53.050 0.052 0.000 0.828 148 N CB 1.023 39.547 38.487 0.061 0.000 1.158 148 N HN 0.854 nan 8.380 nan 0.000 0.519 149 G N 0.218 108.701 108.800 -0.529 0.000 2.603 149 G HA2 0.421 4.381 3.960 -0.001 0.000 0.686 149 G HA3 0.421 4.381 3.960 -0.001 0.000 0.686 149 G C -0.262 174.447 174.900 -0.318 0.000 1.286 149 G CA -0.485 44.239 45.100 -0.627 0.000 0.871 149 G HN 0.875 nan 8.290 nan 0.000 0.568 150 G N -1.239 107.498 108.800 -0.105 0.000 2.359 150 G HA2 0.499 4.458 3.960 -0.001 0.000 0.314 150 G HA3 0.499 4.458 3.960 -0.001 0.000 0.314 150 G C 0.210 175.249 174.900 0.231 0.000 1.364 150 G CA 0.458 45.696 45.100 0.230 0.000 0.978 150 G HN 0.916 nan 8.290 nan 0.000 0.615 151 K N -0.424 120.088 120.400 0.186 0.000 2.361 151 K HA 0.160 4.479 4.320 -0.001 0.000 0.196 151 K C 0.513 177.169 176.600 0.094 0.000 1.039 151 K CA 0.765 57.118 56.287 0.111 0.000 1.001 151 K CB 0.102 32.639 32.500 0.061 0.000 0.795 151 K HN 0.419 nan 8.250 nan 0.000 0.495 152 K N 0.800 121.257 120.400 0.094 0.000 2.584 152 K HA 0.194 4.513 4.320 -0.001 0.000 0.260 152 K C -2.119 174.338 176.600 -0.238 0.000 0.949 152 K CA -0.332 55.925 56.287 -0.050 0.000 0.888 152 K CB 1.317 33.776 32.500 -0.068 0.000 1.330 152 K HN -0.027 nan 8.250 nan 0.000 0.432 153 I N 5.123 125.438 120.570 -0.425 0.000 2.439 153 I HA 0.294 4.463 4.170 -0.001 0.000 0.285 153 I C -0.694 175.191 176.117 -0.386 0.000 1.021 153 I CA -0.902 60.011 61.300 -0.645 0.000 1.091 153 I CB 1.568 38.782 38.000 -1.310 0.000 1.242 153 I HN 0.326 nan 8.210 nan 0.000 0.439 154 V N 7.729 127.463 119.914 -0.299 0.000 2.715 154 V HA 0.174 4.293 4.120 -0.001 0.000 0.299 154 V C 0.068 176.100 176.094 -0.103 0.000 1.054 154 V CA -0.191 62.003 62.300 -0.178 0.000 1.077 154 V CB 1.406 33.148 31.823 -0.135 0.000 0.972 154 V HN 0.479 nan 8.190 nan 0.000 0.484 155 V N 4.595 124.493 119.914 -0.028 0.000 2.380 155 V HA 0.405 4.524 4.120 -0.001 0.000 0.286 155 V C 0.264 176.516 176.094 0.265 0.000 1.015 155 V CA -0.344 62.027 62.300 0.119 0.000 0.834 155 V CB 2.036 33.903 31.823 0.073 0.000 1.009 155 V HN 1.088 nan 8.190 nan 0.000 0.428 156 T N 0.311 114.991 114.554 0.210 0.000 2.927 156 T HA 0.420 4.770 4.350 -0.001 0.000 0.281 156 T C 0.963 175.703 174.700 0.066 0.000 0.998 156 T CA -0.165 62.051 62.100 0.193 0.000 1.019 156 T CB 2.084 71.022 68.868 0.118 0.000 1.061 156 T HN 0.643 nan 8.240 nan 0.000 0.518 157 E N 1.483 121.656 120.200 -0.044 0.000 2.031 157 E HA 0.107 4.456 4.350 -0.001 0.000 0.193 157 E C 0.990 177.547 176.600 -0.073 0.000 0.994 157 E CA 1.216 57.484 56.400 -0.221 0.000 0.800 157 E CB -0.616 28.977 29.700 -0.178 0.000 0.752 157 E HN 0.870 nan 8.360 nan 0.000 0.447 158 G N -1.169 107.631 108.800 0.000 0.000 2.685 158 G HA2 0.234 4.194 3.960 -0.001 0.000 0.298 158 G HA3 0.234 4.194 3.960 -0.001 0.000 0.298 158 G C -0.328 174.605 174.900 0.054 0.000 1.277 158 G CA -0.313 44.805 45.100 0.031 0.000 0.986 158 G HN 0.119 nan 8.290 nan 0.000 0.487 159 E N -0.454 119.745 120.200 -0.002 0.000 2.077 159 E HA -0.080 4.270 4.350 -0.001 0.000 0.193 159 E C 2.374 178.891 176.600 -0.138 0.000 0.989 159 E CA 0.761 57.087 56.400 -0.124 0.000 0.800 159 E CB 0.031 29.424 29.700 -0.512 0.000 0.746 159 E HN 0.392 nan 8.360 nan 0.000 0.452 160 I N 1.547 122.015 120.570 -0.171 0.000 2.226 160 I HA -0.238 3.932 4.170 -0.001 0.000 0.245 160 I C 1.581 177.667 176.117 -0.051 0.000 1.100 160 I CA 1.370 62.568 61.300 -0.170 0.000 1.374 160 I CB -0.687 37.250 38.000 -0.106 0.000 1.057 160 I HN 0.172 nan 8.210 nan 0.000 0.413 161 D N 0.395 120.793 120.400 -0.003 0.000 2.178 161 D HA -0.185 4.455 4.640 -0.001 0.000 0.202 161 D C 2.162 178.487 176.300 0.042 0.000 0.974 161 D CA 0.891 54.906 54.000 0.025 0.000 0.841 161 D CB -0.004 40.819 40.800 0.039 0.000 0.953 161 D HN 0.224 nan 8.370 nan 0.000 0.478 162 M N 0.999 120.649 119.600 0.083 0.000 2.067 162 M HA -0.153 4.327 4.480 -0.001 0.000 0.260 162 M C 2.126 178.481 176.300 0.091 0.000 1.069 162 M CA 1.074 56.446 55.300 0.120 0.000 1.117 162 M CB -0.632 32.114 32.600 0.243 0.000 1.334 162 M HN -0.009 nan 8.290 nan 0.000 0.407 163 L N -0.219 121.057 121.223 0.087 0.000 2.089 163 L HA -0.268 4.072 4.340 -0.001 0.000 0.213 163 L C 2.249 179.126 176.870 0.012 0.000 1.079 163 L CA 2.028 56.896 54.840 0.047 0.000 0.758 163 L CB -1.734 40.306 42.059 -0.032 0.000 0.891 163 L HN 0.393 nan 8.230 nan 0.000 0.433 164 T N -0.335 114.213 114.554 -0.010 0.000 2.614 164 T HA -0.142 4.207 4.350 -0.001 0.000 0.263 164 T C 2.054 176.693 174.700 -0.101 0.000 1.055 164 T CA 1.285 63.343 62.100 -0.069 0.000 1.162 164 T CB -0.340 68.506 68.868 -0.036 0.000 0.863 164 T HN 0.067 nan 8.240 nan 0.000 0.414 165 V N 1.815 121.697 119.914 -0.054 0.000 2.469 165 V HA -0.121 3.998 4.120 -0.001 0.000 0.251 165 V C 2.395 178.473 176.094 -0.026 0.000 1.064 165 V CA 1.297 63.563 62.300 -0.056 0.000 1.066 165 V CB -0.612 31.182 31.823 -0.048 0.000 0.667 165 V HN 0.508 nan 8.190 nan 0.000 0.461 166 M N -1.098 118.506 119.600 0.008 0.000 2.700 166 M HA -0.072 4.407 4.480 -0.001 0.000 0.249 166 M C 1.770 178.091 176.300 0.036 0.000 1.082 166 M CA 1.181 56.513 55.300 0.053 0.000 1.077 166 M CB -0.241 32.414 32.600 0.091 0.000 1.477 166 M HN 0.460 nan 8.290 nan 0.000 0.529 167 E N 0.099 120.289 120.200 -0.018 0.000 2.175 167 E HA 0.108 4.458 4.350 -0.001 0.000 0.193 167 E C 1.891 178.470 176.600 -0.034 0.000 0.962 167 E CA 0.198 56.577 56.400 -0.034 0.000 0.981 167 E CB -0.166 29.468 29.700 -0.111 0.000 1.093 167 E HN 0.364 nan 8.360 nan 0.000 0.483 168 L N 1.321 122.472 121.223 -0.119 0.000 2.302 168 L HA -0.246 4.094 4.340 -0.001 0.000 0.218 168 L C 1.970 178.849 176.870 0.015 0.000 1.100 168 L CA 1.359 56.151 54.840 -0.080 0.000 0.774 168 L CB -0.467 41.514 42.059 -0.130 0.000 0.896 168 L HN 0.149 nan 8.230 nan 0.000 0.439 169 Q N -1.072 118.756 119.800 0.047 0.000 2.247 169 Q HA 0.013 4.352 4.340 -0.001 0.000 0.211 169 Q C -0.164 175.919 176.000 0.139 0.000 0.861 169 Q CA -0.061 55.825 55.803 0.138 0.000 0.949 169 Q CB 0.539 29.392 28.738 0.191 0.000 1.115 169 Q HN 0.244 nan 8.270 nan 0.000 0.507 170 D N -0.549 119.901 120.400 0.083 0.000 2.800 170 D HA -0.189 4.451 4.640 -0.001 0.000 0.232 170 D C -0.500 175.837 176.300 0.062 0.000 1.137 170 D CA 0.549 54.590 54.000 0.067 0.000 0.718 170 D CB -1.677 39.166 40.800 0.071 0.000 1.084 170 D HN 0.495 nan 8.370 nan 0.000 0.432 171 C N -1.316 118.032 119.300 0.079 0.000 4.092 171 C HA -0.259 4.200 4.460 -0.001 0.000 0.297 171 C C 1.714 176.764 174.990 0.101 0.000 1.475 171 C CA 1.196 60.282 59.018 0.114 0.000 2.043 171 C CB -2.109 25.687 27.740 0.093 0.000 1.289 171 C HN 0.590 nan 8.230 nan 0.000 0.755 172 K N -1.691 118.703 120.400 -0.009 0.000 2.374 172 K HA 0.243 4.563 4.320 -0.001 0.000 0.196 172 K C 0.130 176.301 176.600 -0.715 0.000 1.023 172 K CA 0.662 56.763 56.287 -0.310 0.000 1.103 172 K CB 0.406 32.640 32.500 -0.443 0.000 0.848 172 K HN 0.683 nan 8.250 nan 0.000 0.528 173 Y N -0.404 119.866 120.300 -0.051 0.000 2.669 173 Y HA 0.351 4.901 4.550 -0.001 0.000 0.335 173 Y C -2.602 172.765 175.900 -0.887 0.000 1.116 173 Y CA -2.911 55.023 58.100 -0.277 0.000 1.081 173 Y CB 1.272 39.631 38.460 -0.168 0.000 1.297 173 Y HN -0.234 nan 8.280 nan 0.000 0.484 174 P HA 0.440 nan 4.420 nan 0.000 0.294 174 P C -1.645 174.961 177.300 -1.156 0.000 1.294 174 P CA -0.483 61.349 63.100 -2.113 0.000 0.827 174 P CB 1.411 32.147 31.700 -1.608 0.000 0.992 175 V N 2.455 121.857 119.914 -0.852 0.000 2.686 175 V HA 0.736 4.855 4.120 -0.001 0.000 0.306 175 V C 0.051 176.235 176.094 0.149 0.000 1.065 175 V CA -1.029 61.153 62.300 -0.197 0.000 0.894 175 V CB 1.792 33.584 31.823 -0.052 0.000 1.004 175 V HN 0.454 nan 8.190 nan 0.000 0.424 176 V N 0.497 120.508 119.914 0.162 0.000 3.102 176 V HA 1.018 5.138 4.120 -0.001 0.000 0.312 176 V C -0.144 176.089 176.094 0.233 0.000 1.135 176 V CA -0.310 62.133 62.300 0.238 0.000 1.022 176 V CB 2.010 34.042 31.823 0.347 0.000 1.056 176 V HN 1.301 nan 8.190 nan 0.000 0.436 177 S N 2.728 118.592 115.700 0.272 0.000 2.568 177 S HA 0.703 5.172 4.470 -0.001 0.000 0.302 177 S C -0.409 174.366 174.600 0.291 0.000 1.082 177 S CA -0.871 57.495 58.200 0.278 0.000 1.009 177 S CB 1.448 64.835 63.200 0.312 0.000 1.069 177 S HN 0.952 nan 8.310 nan 0.000 0.500 178 L N 3.294 124.633 121.223 0.193 0.000 2.490 178 L HA 0.220 4.559 4.340 -0.001 0.000 0.274 178 L C 1.891 178.880 176.870 0.198 0.000 1.201 178 L CA 0.181 55.122 54.840 0.168 0.000 0.869 178 L CB 0.174 42.237 42.059 0.007 0.000 1.123 178 L HN 1.105 nan 8.230 nan 0.000 0.484 179 G N 1.727 110.634 108.800 0.178 0.000 2.403 179 G HA2 -0.143 3.817 3.960 -0.001 0.000 0.216 179 G HA3 -0.143 3.817 3.960 -0.001 0.000 0.216 179 G C 1.057 175.728 174.900 -0.381 0.000 1.154 179 G CA 0.310 45.379 45.100 -0.051 0.000 0.784 179 G HN 0.840 nan 8.290 nan 0.000 0.538 180 H N -0.209 118.861 119.070 0.000 0.000 2.916 180 H HA 0.240 4.796 4.556 -0.001 0.000 0.262 180 H C 2.071 177.370 175.328 -0.048 0.000 1.178 180 H CA -0.172 55.861 56.048 -0.024 0.000 1.090 180 H CB 0.495 30.233 29.762 -0.040 0.000 1.657 180 H HN 0.364 nan 8.280 nan 0.000 0.601 181 G N 2.502 111.328 108.800 0.043 0.000 2.689 181 G HA2 -0.524 3.435 3.960 -0.001 0.000 0.371 181 G HA3 -0.524 3.435 3.960 -0.001 0.000 0.371 181 G C 1.568 176.403 174.900 -0.109 0.000 1.062 181 G CA 2.390 47.450 45.100 -0.067 0.000 0.873 181 G HN 0.594 nan 8.290 nan 0.000 0.697 182 A N -1.102 121.648 122.820 -0.117 0.000 2.459 182 A HA -0.318 4.001 4.320 -0.001 0.000 0.260 182 A C 2.773 180.320 177.584 -0.062 0.000 2.445 182 A CA 4.522 56.503 52.037 -0.093 0.000 1.030 182 A CB -1.535 17.427 19.000 -0.062 0.000 0.575 182 A HN 1.984 nan 8.150 nan 0.000 0.466 183 S N -0.588 115.093 115.700 -0.031 0.000 2.406 183 S HA 0.358 4.827 4.470 -0.001 0.000 0.224 183 S C 1.632 176.232 174.600 -0.001 0.000 1.030 183 S CA 0.937 59.129 58.200 -0.013 0.000 0.958 183 S CB -0.396 62.795 63.200 -0.015 0.000 0.811 183 S HN 1.528 nan 8.310 nan 0.000 0.489 184 A N 1.160 123.983 122.820 0.005 0.000 2.648 184 A HA 0.764 5.083 4.320 -0.001 0.000 0.269 184 A C 1.758 179.366 177.584 0.040 0.000 1.392 184 A CA 0.361 52.403 52.037 0.009 0.000 1.019 184 A CB -0.967 18.025 19.000 -0.012 0.000 1.009 184 A HN 0.506 nan 8.150 nan 0.000 0.565 185 A N 0.664 123.509 122.820 0.042 0.000 1.877 185 A HA -0.140 4.179 4.320 -0.001 0.000 0.216 185 A C 2.060 179.723 177.584 0.132 0.000 1.186 185 A CA 1.944 54.035 52.037 0.089 0.000 0.620 185 A CB -0.339 18.734 19.000 0.121 0.000 0.822 185 A HN 0.532 nan 8.150 nan 0.000 0.443 186 K N -0.169 120.290 120.400 0.098 0.000 1.991 186 K HA -0.163 4.156 4.320 -0.001 0.000 0.212 186 K C 2.253 178.909 176.600 0.094 0.000 1.049 186 K CA 1.921 58.264 56.287 0.094 0.000 0.932 186 K CB -0.176 32.361 32.500 0.061 0.000 0.717 186 K HN 0.364 nan 8.250 nan 0.000 0.441 187 K N -0.370 120.065 120.400 0.058 0.000 1.985 187 K HA -0.128 4.192 4.320 -0.001 0.000 0.210 187 K C 2.195 178.838 176.600 0.071 0.000 1.047 187 K CA 1.947 58.258 56.287 0.040 0.000 0.932 187 K CB -0.414 32.076 32.500 -0.018 0.000 0.716 187 K HN 0.181 nan 8.250 nan 0.000 0.439 188 T N 0.662 115.266 114.554 0.083 0.000 2.737 188 T HA -0.195 4.155 4.350 -0.001 0.000 0.269 188 T C 1.941 176.767 174.700 0.210 0.000 1.040 188 T CA 1.336 63.517 62.100 0.135 0.000 1.142 188 T CB -0.244 68.732 68.868 0.181 0.000 0.861 188 T HN 0.341 nan 8.240 nan 0.000 0.456 189 C N 0.807 120.256 119.300 0.249 0.000 2.508 189 C HA 0.226 4.686 4.460 -0.001 0.000 0.280 189 C C 3.137 178.333 174.990 0.343 0.000 1.262 189 C CA 0.487 59.724 59.018 0.365 0.000 1.706 189 C CB -1.269 26.655 27.740 0.307 0.000 2.078 189 C HN 0.654 nan 8.230 nan 0.000 0.480 190 A N 0.161 123.128 122.820 0.244 0.000 2.019 190 A HA 0.065 4.385 4.320 -0.001 0.000 0.219 190 A C 2.220 179.922 177.584 0.196 0.000 1.164 190 A CA 1.840 54.013 52.037 0.226 0.000 0.644 190 A CB -0.726 18.358 19.000 0.139 0.000 0.805 190 A HN 0.655 nan 8.150 nan 0.000 0.449 191 A N -0.529 122.384 122.820 0.156 0.000 2.125 191 A HA -0.115 4.204 4.320 -0.001 0.000 0.219 191 A C 1.536 179.198 177.584 0.130 0.000 1.156 191 A CA 1.548 53.654 52.037 0.113 0.000 0.671 191 A CB -0.283 18.762 19.000 0.075 0.000 0.794 191 A HN 0.475 nan 8.150 nan 0.000 0.459 192 N N -2.321 116.491 118.700 0.187 0.000 2.197 192 N HA 0.102 4.841 4.740 -0.001 0.000 0.228 192 N C 0.661 176.320 175.510 0.250 0.000 1.212 192 N CA -0.228 52.901 53.050 0.131 0.000 0.883 192 N CB -0.029 38.413 38.487 -0.075 0.000 1.107 192 N HN 0.505 nan 8.380 nan 0.000 0.519 193 Y N 2.774 123.193 120.300 0.199 0.000 2.030 193 Y HA -0.377 4.172 4.550 -0.001 0.000 0.272 193 Y C 1.745 177.760 175.900 0.192 0.000 1.185 193 Y CA 2.486 60.717 58.100 0.218 0.000 1.120 193 Y CB 0.096 38.643 38.460 0.146 0.000 0.955 193 Y HN 0.083 nan 8.280 nan 0.000 0.495 194 E N -0.657 119.723 120.200 0.299 0.000 2.049 194 E HA -0.313 4.037 4.350 -0.001 0.000 0.198 194 E C 2.005 178.660 176.600 0.091 0.000 1.007 194 E CA 1.925 58.427 56.400 0.170 0.000 0.809 194 E CB -1.540 28.262 29.700 0.170 0.000 0.749 194 E HN 0.723 nan 8.360 nan 0.000 0.450 195 Y N 0.618 120.915 120.300 -0.005 0.000 2.081 195 Y HA -0.270 4.280 4.550 -0.001 0.000 0.280 195 Y C 2.039 177.968 175.900 0.049 0.000 1.163 195 Y CA 1.800 59.866 58.100 -0.056 0.000 1.135 195 Y CB -0.560 37.799 38.460 -0.169 0.000 0.970 195 Y HN 0.060 nan 8.280 nan 0.000 0.498 196 F N -0.083 119.939 119.950 0.119 0.000 2.234 196 F HA -0.176 4.351 4.527 -0.001 0.000 0.299 196 F C 2.204 178.020 175.800 0.026 0.000 1.087 196 F CA 1.062 59.131 58.000 0.115 0.000 1.340 196 F CB -0.298 38.782 39.000 0.132 0.000 1.031 196 F HN 0.104 nan 8.300 nan 0.000 0.500 197 D N 0.193 120.616 120.400 0.039 0.000 2.310 197 D HA -0.154 4.486 4.640 -0.001 0.000 0.212 197 D C 1.924 178.162 176.300 -0.105 0.000 0.965 197 D CA 0.835 54.784 54.000 -0.085 0.000 0.879 197 D CB -0.172 40.515 40.800 -0.188 0.000 0.921 197 D HN 0.290 nan 8.370 nan 0.000 0.510 198 Q N -1.176 118.487 119.800 -0.229 0.000 2.368 198 Q HA -0.091 4.248 4.340 -0.001 0.000 0.210 198 Q C -0.168 175.478 176.000 -0.591 0.000 0.982 198 Q CA 0.606 56.122 55.803 -0.478 0.000 0.884 198 Q CB 0.104 28.375 28.738 -0.780 0.000 0.933 198 Q HN 0.321 nan 8.270 nan 0.000 0.460 199 F N -1.378 118.519 119.950 -0.088 0.000 2.507 199 F HA 0.195 4.721 4.527 -0.001 0.000 0.327 199 F C 1.251 177.019 175.800 -0.054 0.000 1.068 199 F CA -0.898 57.064 58.000 -0.063 0.000 0.965 199 F CB 1.183 40.147 39.000 -0.061 0.000 1.192 199 F HN -0.241 nan 8.300 nan 0.000 0.476 200 E N 0.110 120.393 120.200 0.140 0.000 2.047 200 E HA -0.127 4.222 4.350 -0.001 0.000 0.191 200 E C 0.022 176.645 176.600 0.038 0.000 0.987 200 E CA 0.966 57.400 56.400 0.057 0.000 0.799 200 E CB 0.219 29.942 29.700 0.039 0.000 0.752 200 E HN 0.630 nan 8.360 nan 0.000 0.449 201 Q N 0.012 119.832 119.800 0.034 0.000 2.331 201 Q HA 0.410 4.749 4.340 -0.001 0.000 0.272 201 Q C -1.238 174.723 176.000 -0.064 0.000 1.062 201 Q CA -0.533 55.260 55.803 -0.016 0.000 0.806 201 Q CB 1.520 30.240 28.738 -0.029 0.000 1.312 201 Q HN 0.012 nan 8.270 nan 0.000 0.431 202 I N 3.984 124.492 120.570 -0.104 0.000 2.328 202 I HA 0.326 4.496 4.170 -0.001 0.000 0.287 202 I C -0.299 175.697 176.117 -0.202 0.000 1.012 202 I CA -0.740 60.439 61.300 -0.202 0.000 1.195 202 I CB 1.113 38.951 38.000 -0.270 0.000 1.350 202 I HN 0.589 nan 8.210 nan 0.000 0.464 203 I N 7.403 127.850 120.570 -0.205 0.000 2.282 203 I HA 0.200 4.370 4.170 -0.001 0.000 0.290 203 I C 0.025 176.025 176.117 -0.196 0.000 1.090 203 I CA -0.444 60.754 61.300 -0.169 0.000 1.231 203 I CB 0.446 38.363 38.000 -0.138 0.000 1.434 203 I HN 0.362 nan 8.210 nan 0.000 0.487 204 L N 7.141 128.201 121.223 -0.272 0.000 2.433 204 L HA 0.219 4.558 4.340 -0.001 0.000 0.284 204 L C 0.371 177.039 176.870 -0.336 0.000 1.120 204 L CA 0.401 54.965 54.840 -0.461 0.000 0.879 204 L CB 0.284 41.850 42.059 -0.822 0.000 1.232 204 L HN 0.662 nan 8.230 nan 0.000 0.454 205 M N 5.055 124.610 119.600 -0.075 0.000 3.028 205 M HA 0.364 4.844 4.480 -0.001 0.000 0.296 205 M C -0.605 175.885 176.300 0.318 0.000 1.314 205 M CA -0.123 55.209 55.300 0.054 0.000 1.383 205 M CB 0.058 32.679 32.600 0.035 0.000 1.128 205 M HN 0.347 nan 8.290 nan 0.000 0.544 206 F N -0.269 119.672 119.950 -0.016 0.000 2.403 206 F HA 0.320 4.847 4.527 -0.001 0.000 0.326 206 F C 0.855 176.653 175.800 -0.003 0.000 1.099 206 F CA -1.544 56.453 58.000 -0.005 0.000 1.036 206 F CB 0.694 39.688 39.000 -0.009 0.000 1.336 206 F HN 0.300 nan 8.300 nan 0.000 0.497 207 D N 0.809 121.329 120.400 0.200 0.000 2.506 207 D HA 0.014 4.654 4.640 -0.001 0.000 0.234 207 D C 0.301 176.656 176.300 0.092 0.000 1.143 207 D CA 0.521 54.582 54.000 0.102 0.000 0.871 207 D CB 0.527 41.360 40.800 0.054 0.000 1.190 207 D HN 0.116 nan 8.370 nan 0.000 0.459 208 M N 2.575 122.211 119.600 0.060 0.000 3.242 208 M HA 0.167 4.646 4.480 -0.001 0.000 0.250 208 M C -0.714 175.605 176.300 0.031 0.000 1.239 208 M CA -0.411 54.915 55.300 0.043 0.000 1.205 208 M CB -1.559 31.063 32.600 0.037 0.000 1.189 208 M HN 0.301 nan 8.290 nan 0.000 0.531 209 D N -3.055 117.365 120.400 0.033 0.000 2.636 209 D HA 0.307 4.947 4.640 -0.001 0.000 0.275 209 D C 0.622 176.933 176.300 0.018 0.000 1.130 209 D CA -0.736 53.278 54.000 0.022 0.000 1.031 209 D CB 1.044 41.855 40.800 0.020 0.000 1.451 209 D HN 0.027 nan 8.370 nan 0.000 0.505 210 E N -0.242 119.964 120.200 0.011 0.000 2.154 210 E HA -0.375 3.975 4.350 -0.001 0.000 0.240 210 E C 1.945 178.552 176.600 0.011 0.000 1.059 210 E CA 2.572 58.976 56.400 0.007 0.000 0.954 210 E CB -0.444 29.259 29.700 0.005 0.000 0.842 210 E HN 0.542 nan 8.360 nan 0.000 0.508 211 A N -0.024 122.805 122.820 0.013 0.000 2.121 211 A HA -0.032 4.288 4.320 -0.001 0.000 0.218 211 A C 2.130 179.736 177.584 0.037 0.000 1.154 211 A CA 1.547 53.594 52.037 0.017 0.000 0.679 211 A CB -0.550 18.454 19.000 0.008 0.000 0.795 211 A HN 0.449 nan 8.150 nan 0.000 0.458 212 G N -0.791 108.037 108.800 0.047 0.000 2.408 212 G HA2 -0.086 3.873 3.960 -0.001 0.000 0.215 212 G HA3 -0.086 3.873 3.960 -0.001 0.000 0.215 212 G C 1.668 176.644 174.900 0.128 0.000 1.156 212 G CA 0.641 45.798 45.100 0.094 0.000 0.793 212 G HN 0.433 nan 8.290 nan 0.000 0.535 213 R N 0.482 121.016 120.500 0.057 0.000 2.092 213 R HA 0.128 4.468 4.340 -0.001 0.000 0.231 213 R C 2.485 178.790 176.300 0.008 0.000 1.119 213 R CA 0.852 56.958 56.100 0.010 0.000 0.970 213 R CB -0.272 30.012 30.300 -0.027 0.000 0.864 213 R HN 0.157 nan 8.270 nan 0.000 0.440 214 K N -0.096 120.318 120.400 0.023 0.000 2.063 214 K HA -0.115 4.204 4.320 -0.001 0.000 0.208 214 K C 1.858 178.496 176.600 0.063 0.000 1.048 214 K CA 1.559 57.859 56.287 0.022 0.000 0.928 214 K CB -0.207 32.304 32.500 0.018 0.000 0.713 214 K HN 0.211 nan 8.250 nan 0.000 0.442 215 A N 0.881 123.778 122.820 0.128 0.000 1.865 215 A HA -0.161 4.159 4.320 -0.001 0.000 0.217 215 A C 2.370 180.156 177.584 0.338 0.000 1.191 215 A CA 1.961 54.139 52.037 0.236 0.000 0.623 215 A CB -0.868 18.283 19.000 0.252 0.000 0.826 215 A HN 0.129 nan 8.150 nan 0.000 0.444 216 V N 0.306 120.375 119.914 0.259 0.000 2.250 216 V HA -0.320 3.800 4.120 -0.001 0.000 0.250 216 V C 2.656 178.694 176.094 -0.094 0.000 1.060 216 V CA 2.419 64.639 62.300 -0.132 0.000 1.030 216 V CB -0.857 30.819 31.823 -0.245 0.000 0.643 216 V HN 0.546 nan 8.190 nan 0.000 0.445 217 E N -0.152 120.010 120.200 -0.064 0.000 2.033 217 E HA -0.267 4.083 4.350 -0.001 0.000 0.199 217 E C 2.263 178.851 176.600 -0.020 0.000 1.011 217 E CA 1.738 58.096 56.400 -0.070 0.000 0.815 217 E CB -0.313 29.348 29.700 -0.065 0.000 0.755 217 E HN 0.658 nan 8.360 nan 0.000 0.451 218 E N 0.237 120.451 120.200 0.024 0.000 2.153 218 E HA -0.111 4.239 4.350 -0.001 0.000 0.194 218 E C 1.750 178.392 176.600 0.069 0.000 0.988 218 E CA 1.064 57.490 56.400 0.045 0.000 0.811 218 E CB -0.140 29.594 29.700 0.057 0.000 0.746 218 E HN 0.277 nan 8.360 nan 0.000 0.466 219 A N 0.664 123.541 122.820 0.095 0.000 1.841 219 A HA -0.065 4.254 4.320 -0.001 0.000 0.214 219 A C 2.391 180.007 177.584 0.053 0.000 1.195 219 A CA 1.839 53.947 52.037 0.119 0.000 0.611 219 A CB -1.059 18.046 19.000 0.176 0.000 0.835 219 A HN 0.327 nan 8.150 nan 0.000 0.443 220 A N -1.325 121.485 122.820 -0.017 0.000 1.972 220 A HA -0.192 4.128 4.320 -0.001 0.000 0.219 220 A C 2.090 179.687 177.584 0.021 0.000 1.169 220 A CA 2.040 54.061 52.037 -0.027 0.000 0.635 220 A CB -0.549 18.407 19.000 -0.074 0.000 0.810 220 A HN 0.569 nan 8.150 nan 0.000 0.446 221 Q N -0.761 119.053 119.800 0.023 0.000 2.112 221 Q HA -0.167 4.173 4.340 -0.001 0.000 0.206 221 Q C 1.896 177.939 176.000 0.073 0.000 0.987 221 Q CA 2.413 58.239 55.803 0.038 0.000 0.858 221 Q CB -0.469 28.285 28.738 0.028 0.000 0.905 221 Q HN 0.643 nan 8.270 nan 0.000 0.420 222 V N -1.056 118.917 119.914 0.098 0.000 3.506 222 V HA 0.195 4.314 4.120 -0.001 0.000 0.263 222 V C 0.829 177.073 176.094 0.250 0.000 1.203 222 V CA 0.410 62.795 62.300 0.143 0.000 1.133 222 V CB -0.095 31.808 31.823 0.133 0.000 0.802 222 V HN 0.073 nan 8.190 nan 0.000 0.459 223 L N 1.284 122.631 121.223 0.206 0.000 2.439 223 L HA 0.401 4.741 4.340 -0.001 0.000 0.261 223 L C -1.828 175.172 176.870 0.216 0.000 1.153 223 L CA -1.730 53.234 54.840 0.206 0.000 0.808 223 L CB 1.229 43.317 42.059 0.048 0.000 1.126 223 L HN 0.119 nan 8.230 nan 0.000 0.460 224 P HA 0.079 nan 4.420 nan 0.000 0.266 224 P C 0.097 177.429 177.300 0.054 0.000 1.215 224 P CA 0.363 63.451 63.100 -0.021 0.000 0.763 224 P CB 0.817 32.224 31.700 -0.489 0.000 0.806 225 A N 4.506 127.404 122.820 0.130 0.000 5.668 225 A HA -0.202 4.118 4.320 -0.001 0.000 0.317 225 A C 1.352 178.967 177.584 0.051 0.000 1.826 225 A CA 1.384 53.472 52.037 0.085 0.000 0.735 225 A CB -2.144 16.900 19.000 0.074 0.000 1.336 225 A HN 0.661 nan 8.150 nan 0.000 0.396 226 G N -1.222 107.601 108.800 0.037 0.000 3.562 226 G HA2 0.435 4.395 3.960 -0.001 0.000 0.279 226 G HA3 0.435 4.395 3.960 -0.001 0.000 0.279 226 G C 0.695 175.604 174.900 0.015 0.000 1.314 226 G CA 0.780 45.898 45.100 0.030 0.000 1.189 226 G HN 0.699 nan 8.290 nan 0.000 0.562 227 K N -0.370 120.032 120.400 0.004 0.000 2.313 227 K HA 0.106 4.426 4.320 -0.001 0.000 0.197 227 K C 0.733 177.315 176.600 -0.029 0.000 1.061 227 K CA 0.050 56.328 56.287 -0.015 0.000 0.980 227 K CB 0.696 33.181 32.500 -0.025 0.000 0.888 227 K HN 0.268 nan 8.250 nan 0.000 0.502 228 V N 3.685 123.583 119.914 -0.027 0.000 2.572 228 V HA 0.147 4.267 4.120 -0.001 0.000 0.291 228 V C -0.002 176.094 176.094 0.003 0.000 1.039 228 V CA -0.523 61.748 62.300 -0.049 0.000 1.055 228 V CB 0.184 31.973 31.823 -0.056 0.000 0.969 228 V HN 0.234 nan 8.190 nan 0.000 0.482 229 R N 3.228 123.716 120.500 -0.019 0.000 2.575 229 R HA 0.666 5.005 4.340 -0.001 0.000 0.293 229 R C -1.400 174.918 176.300 0.031 0.000 0.983 229 R CA -0.822 55.313 56.100 0.058 0.000 0.887 229 R CB 1.366 31.673 30.300 0.012 0.000 1.184 229 R HN 0.430 nan 8.270 nan 0.000 0.445 230 V N 2.159 122.175 119.914 0.170 0.000 2.555 230 V HA 0.325 4.445 4.120 -0.001 0.000 0.286 230 V C 0.576 176.708 176.094 0.063 0.000 1.044 230 V CA -0.194 62.137 62.300 0.052 0.000 1.026 230 V CB 1.302 33.130 31.823 0.009 0.000 0.981 230 V HN 0.924 nan 8.190 nan 0.000 0.480 231 A N 5.397 128.196 122.820 -0.036 0.000 2.354 231 A HA 0.659 4.978 4.320 -0.001 0.000 0.269 231 A C -0.519 177.068 177.584 0.005 0.000 1.109 231 A CA -0.322 51.702 52.037 -0.022 0.000 0.800 231 A CB 0.944 19.917 19.000 -0.046 0.000 1.045 231 A HN 0.689 nan 8.150 nan 0.000 0.489 232 V N 4.377 124.297 119.914 0.011 0.000 2.398 232 V HA 0.296 4.416 4.120 -0.001 0.000 0.282 232 V C -0.485 175.610 176.094 0.001 0.000 1.014 232 V CA -0.016 62.296 62.300 0.020 0.000 0.838 232 V CB 0.762 32.615 31.823 0.050 0.000 1.018 232 V HN 0.791 nan 8.190 nan 0.000 0.432 233 L N 6.345 127.573 121.223 0.008 0.000 2.352 233 L HA 0.531 4.870 4.340 -0.001 0.000 0.269 233 L C -1.294 175.586 176.870 0.016 0.000 1.034 233 L CA -1.590 53.257 54.840 0.011 0.000 0.806 233 L CB 1.530 43.607 42.059 0.029 0.000 1.244 233 L HN 0.334 nan 8.230 nan 0.000 0.447 234 P HA -0.015 nan 4.420 nan 0.000 0.226 234 P C -0.506 176.831 177.300 0.062 0.000 1.153 234 P CA 0.597 63.702 63.100 0.009 0.000 0.777 234 P CB 0.122 31.776 31.700 -0.076 0.000 0.794 235 C N -2.462 116.887 119.300 0.082 0.000 3.235 235 C HA 0.372 4.832 4.460 -0.001 0.000 0.351 235 C C 1.932 176.952 174.990 0.051 0.000 1.520 235 C CA -1.052 58.008 59.018 0.070 0.000 1.474 235 C CB 1.277 29.066 27.740 0.082 0.000 2.019 235 C HN 0.008 nan 8.230 nan 0.000 0.446 236 K N 0.912 121.337 120.400 0.042 0.000 2.015 236 K HA -0.200 4.119 4.320 -0.001 0.000 0.216 236 K C 0.150 176.776 176.600 0.043 0.000 1.052 236 K CA 2.748 59.057 56.287 0.037 0.000 0.937 236 K CB -0.250 32.268 32.500 0.029 0.000 0.719 236 K HN 0.952 nan 8.250 nan 0.000 0.446 237 D N -3.946 116.480 120.400 0.044 0.000 2.636 237 D HA 0.350 4.989 4.640 -0.001 0.000 0.275 237 D C 0.138 176.466 176.300 0.048 0.000 1.130 237 D CA -0.196 53.833 54.000 0.048 0.000 1.031 237 D CB 0.912 41.737 40.800 0.043 0.000 1.451 237 D HN -0.025 nan 8.370 nan 0.000 0.505 238 A N -0.220 122.627 122.820 0.045 0.000 2.019 238 A HA -0.221 4.099 4.320 -0.001 0.000 0.219 238 A C 1.778 179.391 177.584 0.048 0.000 1.164 238 A CA 1.552 53.611 52.037 0.036 0.000 0.644 238 A CB -0.944 18.068 19.000 0.019 0.000 0.805 238 A HN 0.653 nan 8.150 nan 0.000 0.449 239 N N -0.315 118.417 118.700 0.053 0.000 2.290 239 N HA -0.145 4.594 4.740 -0.001 0.000 0.179 239 N C 1.766 177.313 175.510 0.062 0.000 1.016 239 N CA 1.259 54.354 53.050 0.076 0.000 0.871 239 N CB -0.116 38.404 38.487 0.055 0.000 0.987 239 N HN 0.677 nan 8.380 nan 0.000 0.431 240 E N 0.317 120.540 120.200 0.038 0.000 2.171 240 E HA -0.170 4.180 4.350 -0.001 0.000 0.197 240 E C 1.932 178.533 176.600 0.001 0.000 0.997 240 E CA 1.347 57.757 56.400 0.017 0.000 0.810 240 E CB -0.008 29.706 29.700 0.023 0.000 0.738 240 E HN 0.402 nan 8.360 nan 0.000 0.467 241 C N -0.018 119.300 119.300 0.031 0.000 2.473 241 C HA -0.087 4.373 4.460 -0.001 0.000 0.279 241 C C 2.553 177.539 174.990 -0.007 0.000 1.250 241 C CA 0.963 59.990 59.018 0.015 0.000 1.713 241 C CB -1.355 26.435 27.740 0.083 0.000 2.066 241 C HN 0.622 nan 8.230 nan 0.000 0.474 242 H N 0.958 119.997 119.070 -0.052 0.000 2.265 242 H HA -0.028 4.527 4.556 -0.001 0.000 0.295 242 H C 0.828 176.121 175.328 -0.059 0.000 1.084 242 H CA 1.061 57.081 56.048 -0.048 0.000 1.261 242 H CB -0.800 28.948 29.762 -0.024 0.000 1.360 242 H HN 0.280 nan 8.280 nan 0.000 0.487 243 L N 2.925 124.066 121.223 -0.137 0.000 2.865 243 L HA -0.128 4.211 4.340 -0.001 0.000 0.283 243 L C -0.039 176.727 176.870 -0.172 0.000 1.101 243 L CA 0.591 55.323 54.840 -0.180 0.000 1.061 243 L CB -1.134 40.874 42.059 -0.085 0.000 1.437 243 L HN 0.586 nan 8.230 nan 0.000 0.460 244 N N 3.169 121.746 118.700 -0.205 0.000 2.694 244 N HA -0.215 4.525 4.740 -0.001 0.000 0.309 244 N C 0.568 175.945 175.510 -0.222 0.000 1.226 244 N CA 0.527 53.472 53.050 -0.175 0.000 0.696 244 N CB 0.065 38.478 38.487 -0.123 0.000 1.035 244 N HN 0.939 nan 8.380 nan 0.000 0.542 245 G N 1.675 110.300 108.800 -0.292 0.000 3.091 245 G HA2 0.044 4.004 3.960 -0.001 0.000 0.137 245 G HA3 0.044 4.004 3.960 -0.001 0.000 0.137 245 G C -1.466 173.105 174.900 -0.548 0.000 1.180 245 G CA -0.586 44.118 45.100 -0.660 0.000 1.466 245 G HN 0.590 nan 8.290 nan 0.000 0.704 246 H N 1.624 120.703 119.070 0.014 0.000 2.541 246 H HA 0.404 4.959 4.556 -0.001 0.000 0.246 246 H C -0.137 175.197 175.328 0.009 0.000 1.341 246 H CA -0.624 55.428 56.048 0.006 0.000 1.469 246 H CB 1.251 31.008 29.762 -0.010 0.000 1.472 246 H HN 0.333 nan 8.280 nan 0.000 0.503 247 D N 1.412 121.864 120.400 0.086 0.000 2.104 247 D HA -0.169 4.471 4.640 -0.001 0.000 0.194 247 D C 2.175 178.471 176.300 -0.008 0.000 0.994 247 D CA 0.923 54.959 54.000 0.061 0.000 0.830 247 D CB 0.402 41.254 40.800 0.087 0.000 0.959 247 D HN 0.393 nan 8.370 nan 0.000 0.452 248 R N 1.289 121.792 120.500 0.005 0.000 2.200 248 R HA -0.165 4.175 4.340 -0.001 0.000 0.234 248 R C 1.500 177.734 176.300 -0.110 0.000 1.127 248 R CA 1.116 57.182 56.100 -0.055 0.000 0.989 248 R CB 0.039 30.340 30.300 0.002 0.000 0.869 248 R HN 0.050 nan 8.270 nan 0.000 0.459 249 E N 0.578 120.756 120.200 -0.037 0.000 2.046 249 E HA -0.053 4.296 4.350 -0.001 0.000 0.190 249 E C 1.955 178.483 176.600 -0.120 0.000 0.982 249 E CA 1.336 57.697 56.400 -0.064 0.000 0.800 249 E CB -0.158 29.544 29.700 0.004 0.000 0.756 249 E HN 0.369 nan 8.360 nan 0.000 0.449 250 I N -0.111 120.398 120.570 -0.102 0.000 2.208 250 I HA -0.301 3.868 4.170 -0.001 0.000 0.245 250 I C 2.198 178.137 176.117 -0.297 0.000 1.097 250 I CA 0.907 62.119 61.300 -0.147 0.000 1.363 250 I CB -0.222 37.716 38.000 -0.105 0.000 1.051 250 I HN 0.172 nan 8.210 nan 0.000 0.413 251 M N 0.691 120.042 119.600 -0.414 0.000 2.086 251 M HA -0.212 4.267 4.480 -0.001 0.000 0.261 251 M C 2.032 177.613 176.300 -1.198 0.000 1.067 251 M CA 1.867 56.660 55.300 -0.846 0.000 1.116 251 M CB -0.397 31.706 32.600 -0.828 0.000 1.348 251 M HN 0.079 nan 8.290 nan 0.000 0.407 252 E N -0.771 118.981 120.200 -0.746 0.000 2.463 252 E HA -0.204 4.145 4.350 -0.001 0.000 0.201 252 E C 1.819 178.250 176.600 -0.283 0.000 1.045 252 E CA 0.618 56.744 56.400 -0.456 0.000 0.872 252 E CB 0.013 29.590 29.700 -0.205 0.000 0.797 252 E HN 0.580 nan 8.360 nan 0.000 0.538 253 Q N -0.439 119.175 119.800 -0.311 0.000 2.387 253 Q HA 0.012 4.352 4.340 -0.001 0.000 0.208 253 Q C 2.479 178.369 176.000 -0.183 0.000 0.935 253 Q CA 0.401 56.093 55.803 -0.186 0.000 0.891 253 Q CB -0.303 28.352 28.738 -0.139 0.000 1.007 253 Q HN 0.157 nan 8.270 nan 0.000 0.548 254 V N 1.287 121.038 119.914 -0.272 0.000 2.250 254 V HA -0.208 3.912 4.120 -0.001 0.000 0.250 254 V C 0.884 176.928 176.094 -0.084 0.000 1.060 254 V CA 1.424 63.597 62.300 -0.212 0.000 1.030 254 V CB -0.494 31.168 31.823 -0.267 0.000 0.643 254 V HN 0.306 nan 8.190 nan 0.000 0.445 255 W N 1.367 122.592 121.300 -0.124 0.000 2.266 255 W HA 0.346 5.005 4.660 -0.001 0.000 0.317 255 W C 0.836 177.297 176.519 -0.098 0.000 1.310 255 W CA -0.729 56.542 57.345 -0.122 0.000 1.207 255 W CB -1.531 27.860 29.460 -0.115 0.000 1.199 255 W HN 0.809 nan 8.180 nan 0.000 0.544 256 N N -0.408 118.353 118.700 0.102 0.000 2.696 256 N HA -0.115 4.625 4.740 -0.001 0.000 0.256 256 N C -0.529 174.969 175.510 -0.020 0.000 1.031 256 N CA 0.822 53.891 53.050 0.032 0.000 0.730 256 N CB -1.563 36.955 38.487 0.051 0.000 0.894 256 N HN 0.548 nan 8.380 nan 0.000 0.544 257 A N 0.163 122.959 122.820 -0.041 0.000 2.251 257 A HA 0.748 5.068 4.320 -0.001 0.000 0.278 257 A C 1.144 178.681 177.584 -0.077 0.000 1.206 257 A CA -0.133 51.873 52.037 -0.052 0.000 0.822 257 A CB -0.028 18.947 19.000 -0.042 0.000 1.187 257 A HN 0.941 nan 8.150 nan 0.000 0.504 258 G N -0.018 108.747 108.800 -0.058 0.000 2.333 258 G HA2 0.532 4.491 3.960 -0.001 0.000 0.290 258 G HA3 0.532 4.491 3.960 -0.001 0.000 0.290 258 G C -2.876 171.963 174.900 -0.101 0.000 1.150 258 G CA -1.063 43.895 45.100 -0.236 0.000 0.895 258 G HN 0.437 nan 8.290 nan 0.000 0.444 259 P HA 0.395 nan 4.420 nan 0.000 0.295 259 P C -0.530 176.949 177.300 0.299 0.000 1.397 259 P CA -0.545 62.574 63.100 0.031 0.000 0.903 259 P CB -0.026 31.619 31.700 -0.092 0.000 1.028 260 W N 3.880 125.143 121.300 -0.062 0.000 2.839 260 W HA 0.431 5.091 4.660 -0.001 0.000 0.435 260 W C -0.916 175.572 176.519 -0.051 0.000 0.839 260 W CA -1.044 56.271 57.345 -0.049 0.000 1.084 260 W CB -0.228 29.210 29.460 -0.037 0.000 1.463 260 W HN 0.123 nan 8.180 nan 0.000 0.587 261 I N -4.437 116.165 120.570 0.053 0.000 4.529 261 I HA 0.076 4.245 4.170 -0.001 0.000 0.408 261 I C -2.117 173.948 176.117 -0.087 0.000 0.875 261 I CA -0.166 61.027 61.300 -0.177 0.000 1.409 261 I CB -1.957 35.964 38.000 -0.131 0.000 2.931 261 I HN 0.123 nan 8.210 nan 0.000 0.872 262 P HA -0.028 nan 4.420 nan 0.000 0.247 262 P C -0.137 177.177 177.300 0.023 0.000 1.141 262 P CA 0.838 63.969 63.100 0.052 0.000 0.858 262 P CB 0.046 31.811 31.700 0.108 0.000 0.804 263 D N 2.606 123.006 120.400 0.001 0.000 3.110 263 D HA 0.271 4.910 4.640 -0.001 0.000 0.254 263 D C 1.239 177.544 176.300 0.008 0.000 1.283 263 D CA -0.003 53.994 54.000 -0.005 0.000 0.944 263 D CB -0.458 40.330 40.800 -0.021 0.000 1.066 263 D HN 0.586 nan 8.370 nan 0.000 0.496 264 G N -0.322 108.489 108.800 0.019 0.000 4.080 264 G HA2 -0.114 3.846 3.960 -0.001 0.000 0.219 264 G HA3 -0.114 3.846 3.960 -0.001 0.000 0.219 264 G C -0.003 174.911 174.900 0.025 0.000 0.843 264 G CA -0.235 44.876 45.100 0.020 0.000 0.856 264 G HN 0.271 nan 8.290 nan 0.000 0.616 265 V N 1.548 121.482 119.914 0.033 0.000 2.607 265 V HA 0.680 4.800 4.120 -0.001 0.000 0.289 265 V C -0.231 175.889 176.094 0.042 0.000 1.053 265 V CA -0.197 62.125 62.300 0.037 0.000 0.996 265 V CB 1.769 33.619 31.823 0.045 0.000 0.995 265 V HN 0.349 nan 8.190 nan 0.000 0.476 266 V N 5.158 125.091 119.914 0.033 0.000 2.675 266 V HA 0.227 4.347 4.120 -0.001 0.000 0.266 266 V C -0.014 176.092 176.094 0.020 0.000 0.974 266 V CA -0.537 61.781 62.300 0.030 0.000 0.890 266 V CB 1.579 33.416 31.823 0.023 0.000 1.055 266 V HN 0.985 nan 8.190 nan 0.000 0.477 267 S N 3.178 118.889 115.700 0.018 0.000 2.558 267 S HA 0.378 4.847 4.470 -0.001 0.000 0.288 267 S C 1.560 176.162 174.600 0.003 0.000 1.318 267 S CA 0.373 58.576 58.200 0.006 0.000 1.056 267 S CB 1.629 64.828 63.200 -0.002 0.000 0.853 267 S HN 1.372 nan 8.310 nan 0.000 0.505 268 A N 3.585 126.403 122.820 -0.003 0.000 1.883 268 A HA -0.050 4.270 4.320 -0.001 0.000 0.217 268 A C 2.201 179.782 177.584 -0.005 0.000 1.186 268 A CA 1.343 53.377 52.037 -0.005 0.000 0.624 268 A CB -0.905 18.090 19.000 -0.009 0.000 0.822 268 A HN 0.783 nan 8.150 nan 0.000 0.444 269 L N 0.959 122.178 121.223 -0.007 0.000 2.064 269 L HA -0.196 4.143 4.340 -0.001 0.000 0.216 269 L C 2.604 179.472 176.870 -0.003 0.000 1.077 269 L CA 2.565 57.400 54.840 -0.007 0.000 0.766 269 L CB -1.377 40.675 42.059 -0.012 0.000 0.890 269 L HN 0.633 nan 8.230 nan 0.000 0.435 270 S N -2.131 113.570 115.700 0.000 0.000 2.786 270 S HA 0.060 4.529 4.470 -0.001 0.000 0.223 270 S C 1.278 175.884 174.600 0.009 0.000 0.956 270 S CA 0.076 58.280 58.200 0.007 0.000 0.961 270 S CB -0.335 62.873 63.200 0.014 0.000 0.784 270 S HN 0.352 nan 8.310 nan 0.000 0.519 271 L N 0.218 121.444 121.223 0.005 0.000 2.858 271 L HA 0.429 4.769 4.340 -0.001 0.000 0.251 271 L C 2.110 178.985 176.870 0.007 0.000 1.149 271 L CA -0.132 54.712 54.840 0.006 0.000 0.955 271 L CB -0.096 41.963 42.059 0.000 0.000 1.289 271 L HN 0.261 nan 8.230 nan 0.000 0.542 272 R N 0.936 121.439 120.500 0.005 0.000 2.168 272 R HA -0.261 4.079 4.340 -0.001 0.000 0.242 272 R C 1.886 178.194 176.300 0.013 0.000 1.123 272 R CA 2.249 58.353 56.100 0.006 0.000 0.928 272 R CB -0.173 30.129 30.300 0.004 0.000 0.873 272 R HN 0.184 nan 8.270 nan 0.000 0.434 273 E N 0.258 120.466 120.200 0.014 0.000 2.031 273 E HA -0.211 4.138 4.350 -0.001 0.000 0.193 273 E C 2.097 178.713 176.600 0.026 0.000 0.994 273 E CA 1.472 57.883 56.400 0.017 0.000 0.800 273 E CB -0.432 29.276 29.700 0.014 0.000 0.752 273 E HN 0.443 nan 8.360 nan 0.000 0.447 274 R N 0.502 121.018 120.500 0.028 0.000 2.117 274 R HA -0.131 4.208 4.340 -0.001 0.000 0.243 274 R C 2.435 178.774 176.300 0.066 0.000 1.143 274 R CA 1.249 57.374 56.100 0.041 0.000 0.968 274 R CB -0.263 30.058 30.300 0.035 0.000 0.863 274 R HN 0.153 nan 8.270 nan 0.000 0.444 275 I N -0.093 120.504 120.570 0.045 0.000 2.163 275 I HA -0.275 3.894 4.170 -0.001 0.000 0.240 275 I C 2.651 178.818 176.117 0.084 0.000 1.081 275 I CA 1.450 62.778 61.300 0.047 0.000 1.353 275 I CB -0.407 37.596 38.000 0.005 0.000 1.054 275 I HN 0.217 nan 8.210 nan 0.000 0.407 276 R N 1.861 122.393 120.500 0.053 0.000 2.115 276 R HA -0.297 4.042 4.340 -0.001 0.000 0.239 276 R C 2.176 178.511 176.300 0.060 0.000 1.133 276 R CA 2.525 58.653 56.100 0.048 0.000 0.935 276 R CB -0.498 29.819 30.300 0.028 0.000 0.853 276 R HN 0.428 nan 8.270 nan 0.000 0.433 277 E N -0.529 119.702 120.200 0.053 0.000 2.153 277 E HA -0.256 4.093 4.350 -0.001 0.000 0.194 277 E C 1.858 178.483 176.600 0.042 0.000 0.988 277 E CA 2.031 58.452 56.400 0.035 0.000 0.811 277 E CB -0.513 29.200 29.700 0.021 0.000 0.746 277 E HN 0.755 nan 8.360 nan 0.000 0.466 278 H N -0.119 118.950 119.070 -0.001 0.000 2.290 278 H HA -0.055 4.500 4.556 -0.001 0.000 0.298 278 H C 1.948 177.277 175.328 0.003 0.000 1.087 278 H CA 2.256 58.304 56.048 0.000 0.000 1.291 278 H CB -0.226 29.540 29.762 0.006 0.000 1.369 278 H HN 0.220 nan 8.280 nan 0.000 0.492 279 L N -0.180 121.183 121.223 0.234 0.000 2.043 279 L HA -0.237 4.103 4.340 -0.001 0.000 0.212 279 L C 2.647 179.554 176.870 0.061 0.000 1.075 279 L CA 1.687 56.635 54.840 0.180 0.000 0.752 279 L CB -0.346 41.783 42.059 0.117 0.000 0.891 279 L HN 0.353 nan 8.230 nan 0.000 0.432 280 S N -1.371 114.342 115.700 0.021 0.000 2.345 280 S HA -0.156 4.314 4.470 -0.001 0.000 0.219 280 S C 2.131 176.699 174.600 -0.053 0.000 1.031 280 S CA 1.269 59.462 58.200 -0.011 0.000 0.984 280 S CB -0.247 62.947 63.200 -0.009 0.000 0.874 280 S HN 0.291 nan 8.310 nan 0.000 0.451 281 S N 0.886 116.533 115.700 -0.089 0.000 2.365 281 S HA -0.061 4.409 4.470 -0.001 0.000 0.221 281 S C 0.890 175.383 174.600 -0.178 0.000 1.037 281 S CA 1.295 59.412 58.200 -0.138 0.000 1.060 281 S CB -0.245 62.853 63.200 -0.169 0.000 0.974 281 S HN 0.369 nan 8.310 nan 0.000 0.427 282 E N 1.098 121.126 120.200 -0.287 0.000 2.242 282 E HA 0.306 4.656 4.350 -0.001 0.000 0.275 282 E C -0.348 176.178 176.600 -0.123 0.000 1.002 282 E CA -0.376 55.863 56.400 -0.268 0.000 0.841 282 E CB 0.989 30.450 29.700 -0.398 0.000 1.109 282 E HN 0.280 nan 8.360 nan 0.000 0.394 283 E N 2.975 123.105 120.200 -0.118 0.000 2.593 283 E HA 0.156 4.505 4.350 -0.001 0.000 0.232 283 E C -0.022 176.507 176.600 -0.119 0.000 1.026 283 E CA -0.019 56.326 56.400 -0.090 0.000 0.772 283 E CB 0.154 29.788 29.700 -0.110 0.000 1.310 283 E HN 0.564 nan 8.360 nan 0.000 0.413 284 S N 2.540 118.235 115.700 -0.008 0.000 2.209 284 S HA -0.353 4.116 4.470 -0.001 0.000 0.488 284 S C 1.389 175.972 174.600 -0.028 0.000 0.996 284 S CA 2.369 60.628 58.200 0.098 0.000 2.940 284 S CB -1.637 61.647 63.200 0.140 0.000 2.109 284 S HN 0.521 nan 8.310 nan 0.000 0.533 285 V N 2.115 122.019 119.914 -0.016 0.000 3.219 285 V HA 0.518 4.637 4.120 -0.001 0.000 0.377 285 V C 1.224 177.261 176.094 -0.095 0.000 1.275 285 V CA -0.336 61.952 62.300 -0.019 0.000 1.366 285 V CB -1.171 30.658 31.823 0.011 0.000 1.282 285 V HN 0.774 nan 8.190 nan 0.000 0.487 286 G N 1.082 109.777 108.800 -0.174 0.000 2.209 286 G HA2 0.244 4.204 3.960 -0.001 0.000 0.271 286 G HA3 0.244 4.204 3.960 -0.001 0.000 0.271 286 G C -0.095 174.636 174.900 -0.281 0.000 1.111 286 G CA 0.043 45.001 45.100 -0.236 0.000 1.092 286 G HN 0.625 nan 8.290 nan 0.000 0.416 287 L N 1.066 122.120 121.223 -0.282 0.000 3.010 287 L HA -0.187 4.153 4.340 -0.001 0.000 0.571 287 L C -0.168 176.556 176.870 -0.243 0.000 1.001 287 L CA 0.196 54.802 54.840 -0.390 0.000 1.301 287 L CB -0.326 41.249 42.059 -0.806 0.000 1.494 287 L HN 0.550 nan 8.230 nan 0.000 0.722 288 L N 5.682 126.901 121.223 -0.008 0.000 2.276 288 L HA 0.490 4.829 4.340 -0.001 0.000 0.286 288 L C 0.276 177.263 176.870 0.196 0.000 1.061 288 L CA 0.085 54.970 54.840 0.076 0.000 0.807 288 L CB 0.555 42.678 42.059 0.106 0.000 1.177 288 L HN 0.201 nan 8.230 nan 0.000 0.429 289 F N 1.165 121.290 119.950 0.291 0.000 2.602 289 F HA 0.098 4.624 4.527 -0.001 0.000 0.367 289 F C 1.118 176.988 175.800 0.117 0.000 1.126 289 F CA 0.655 58.788 58.000 0.221 0.000 1.321 289 F CB 0.502 39.650 39.000 0.246 0.000 1.094 289 F HN 0.400 nan 8.300 nan 0.000 0.594 290 S N 0.973 116.771 115.700 0.164 0.000 2.449 290 S HA 0.568 5.038 4.470 -0.001 0.000 0.310 290 S C 0.467 175.128 174.600 0.103 0.000 1.096 290 S CA 0.024 58.277 58.200 0.089 0.000 1.095 290 S CB 1.195 64.405 63.200 0.016 0.000 1.007 290 S HN 1.039 nan 8.310 nan 0.000 0.474 291 G N 1.677 110.577 108.800 0.167 0.000 2.159 291 G HA2 -0.151 3.808 3.960 -0.001 0.000 0.170 291 G HA3 -0.151 3.808 3.960 -0.001 0.000 0.170 291 G C 0.046 175.074 174.900 0.213 0.000 1.007 291 G CA -0.134 45.084 45.100 0.196 0.000 0.672 291 G HN 1.195 nan 8.290 nan 0.000 0.507 292 C N 2.227 121.653 119.300 0.209 0.000 2.796 292 C HA 0.512 4.971 4.460 -0.001 0.000 0.365 292 C C 0.733 175.830 174.990 0.177 0.000 0.820 292 C CA 0.354 59.484 59.018 0.187 0.000 1.096 292 C CB -1.133 26.718 27.740 0.186 0.000 1.478 292 C HN 1.354 nan 8.230 nan 0.000 0.635 293 T N 1.325 115.972 114.554 0.155 0.000 2.866 293 T HA 0.490 4.840 4.350 -0.001 0.000 0.293 293 T C 1.182 175.963 174.700 0.135 0.000 1.005 293 T CA 1.270 63.458 62.100 0.147 0.000 1.162 293 T CB 1.208 70.147 68.868 0.118 0.000 0.968 293 T HN 2.220 nan 8.240 nan 0.000 0.530 294 G N 3.491 112.372 108.800 0.136 0.000 1.672 294 G HA2 -0.197 3.762 3.960 -0.001 0.000 0.110 294 G HA3 -0.197 3.762 3.960 -0.001 0.000 0.110 294 G C 0.791 175.763 174.900 0.119 0.000 1.946 294 G CA -0.057 45.112 45.100 0.115 0.000 1.302 294 G HN 0.667 nan 8.290 nan 0.000 0.416 295 I N 1.996 122.632 120.570 0.111 0.000 2.188 295 I HA -0.318 3.851 4.170 -0.001 0.000 0.246 295 I C 2.142 178.393 176.117 0.224 0.000 1.033 295 I CA 2.761 64.122 61.300 0.101 0.000 1.307 295 I CB -1.806 36.251 38.000 0.095 0.000 1.005 295 I HN 0.529 nan 8.210 nan 0.000 0.421 296 N N 0.504 119.365 118.700 0.269 0.000 2.092 296 N HA -0.161 4.579 4.740 -0.001 0.000 0.189 296 N C 1.477 177.104 175.510 0.194 0.000 1.040 296 N CA 1.217 54.429 53.050 0.271 0.000 0.845 296 N CB -0.136 38.488 38.487 0.229 0.000 1.017 296 N HN 0.332 nan 8.380 nan 0.000 0.426 297 D N 0.763 121.254 120.400 0.152 0.000 2.191 297 D HA -0.180 4.459 4.640 -0.001 0.000 0.195 297 D C 1.587 177.957 176.300 0.116 0.000 1.003 297 D CA 1.326 55.398 54.000 0.120 0.000 0.867 297 D CB 0.001 40.861 40.800 0.100 0.000 0.926 297 D HN 0.273 nan 8.370 nan 0.000 0.450 298 K N -0.946 119.526 120.400 0.119 0.000 2.202 298 K HA 0.027 4.346 4.320 -0.001 0.000 0.201 298 K C 1.947 178.632 176.600 0.141 0.000 1.051 298 K CA 1.242 57.592 56.287 0.104 0.000 0.977 298 K CB 0.305 32.850 32.500 0.074 0.000 0.792 298 K HN 0.235 nan 8.250 nan 0.000 0.469 299 T N -1.424 113.243 114.554 0.188 0.000 3.023 299 T HA 0.102 4.451 4.350 -0.001 0.000 0.253 299 T C 0.946 175.816 174.700 0.284 0.000 1.038 299 T CA -0.303 61.942 62.100 0.241 0.000 0.962 299 T CB 0.307 69.341 68.868 0.278 0.000 1.018 299 T HN 0.076 nan 8.240 nan 0.000 0.521 300 L N 0.783 122.156 121.223 0.250 0.000 4.429 300 L HA -0.171 4.169 4.340 -0.001 0.000 0.422 300 L C 0.836 177.792 176.870 0.143 0.000 1.149 300 L CA 1.286 56.258 54.840 0.221 0.000 0.972 300 L CB -1.904 40.355 42.059 0.334 0.000 2.059 300 L HN 1.083 nan 8.230 nan 0.000 0.870 301 G N -1.426 107.495 108.800 0.201 0.000 2.548 301 G HA2 0.199 4.158 3.960 -0.001 0.000 0.208 301 G HA3 0.199 4.158 3.960 -0.001 0.000 0.208 301 G C -0.174 174.711 174.900 -0.026 0.000 1.308 301 G CA -0.193 44.940 45.100 0.056 0.000 0.924 301 G HN 1.664 nan 8.290 nan 0.000 0.540 302 A N 0.329 122.961 122.820 -0.312 0.000 2.394 302 A HA 0.758 5.077 4.320 -0.001 0.000 0.333 302 A C 0.580 177.973 177.584 -0.318 0.000 1.397 302 A CA -0.077 51.796 52.037 -0.273 0.000 0.884 302 A CB 0.267 19.027 19.000 -0.401 0.000 1.147 302 A HN 0.722 nan 8.150 nan 0.000 0.505 303 R N 1.221 121.561 120.500 -0.268 0.000 2.490 303 R HA 0.381 4.721 4.340 -0.001 0.000 0.280 303 R C 1.050 177.205 176.300 -0.242 0.000 1.077 303 R CA 0.456 56.375 56.100 -0.302 0.000 1.065 303 R CB 0.899 30.954 30.300 -0.409 0.000 1.003 303 R HN 0.768 nan 8.270 nan 0.000 0.470 304 G N 0.225 108.881 108.800 -0.241 0.000 2.484 304 G HA2 0.291 4.250 3.960 -0.001 0.000 0.235 304 G HA3 0.291 4.250 3.960 -0.001 0.000 0.235 304 G C 0.960 175.762 174.900 -0.164 0.000 1.282 304 G CA 0.147 45.122 45.100 -0.208 0.000 0.857 304 G HN 0.769 nan 8.290 nan 0.000 0.571 305 G N 0.417 109.120 108.800 -0.161 0.000 2.257 305 G HA2 -0.275 3.685 3.960 -0.001 0.000 0.267 305 G HA3 -0.275 3.685 3.960 -0.001 0.000 0.267 305 G C 0.486 175.334 174.900 -0.086 0.000 0.984 305 G CA 0.865 45.886 45.100 -0.132 0.000 0.626 305 G HN 0.804 nan 8.290 nan 0.000 0.540 306 E N -0.723 119.429 120.200 -0.080 0.000 2.397 306 E HA 0.466 4.815 4.350 -0.001 0.000 0.254 306 E C -0.333 176.264 176.600 -0.005 0.000 1.231 306 E CA -0.131 56.251 56.400 -0.029 0.000 0.954 306 E CB 1.483 31.168 29.700 -0.024 0.000 1.024 306 E HN 0.129 nan 8.360 nan 0.000 0.481 307 V N 2.920 122.857 119.914 0.037 0.000 2.398 307 V HA 0.152 4.272 4.120 -0.001 0.000 0.282 307 V C -0.457 175.696 176.094 0.099 0.000 1.014 307 V CA -0.539 61.798 62.300 0.062 0.000 0.838 307 V CB 0.842 32.701 31.823 0.059 0.000 1.018 307 V HN 0.430 nan 8.190 nan 0.000 0.432 308 I N 5.357 126.013 120.570 0.144 0.000 2.474 308 I HA 0.377 4.546 4.170 -0.001 0.000 0.287 308 I C 0.048 176.264 176.117 0.165 0.000 1.048 308 I CA -0.017 61.404 61.300 0.201 0.000 1.383 308 I CB 1.265 39.481 38.000 0.360 0.000 1.412 308 I HN 0.652 nan 8.210 nan 0.000 0.531 309 M N 7.473 127.146 119.600 0.121 0.000 2.022 309 M HA 0.410 4.889 4.480 -0.001 0.000 0.298 309 M C -1.524 174.808 176.300 0.053 0.000 0.909 309 M CA -0.429 54.922 55.300 0.086 0.000 0.914 309 M CB 1.174 33.812 32.600 0.062 0.000 1.486 309 M HN 0.258 nan 8.290 nan 0.000 0.415 310 V N 3.272 123.226 119.914 0.066 0.000 2.498 310 V HA 0.664 4.784 4.120 -0.001 0.000 0.279 310 V C 0.246 176.337 176.094 -0.006 0.000 1.048 310 V CA -0.252 62.056 62.300 0.014 0.000 0.967 310 V CB 1.128 32.998 31.823 0.078 0.000 0.988 310 V HN 0.889 nan 8.190 nan 0.000 0.473 311 T N 2.601 117.119 114.554 -0.059 0.000 2.853 311 T HA 0.740 5.090 4.350 -0.001 0.000 0.311 311 T C -0.775 173.868 174.700 -0.096 0.000 1.307 311 T CA 0.354 62.426 62.100 -0.047 0.000 1.019 311 T CB 1.775 70.627 68.868 -0.028 0.000 1.264 311 T HN 1.428 nan 8.240 nan 0.000 0.497 312 S N 1.206 116.842 115.700 -0.107 0.000 2.690 312 S HA 0.588 5.057 4.470 -0.001 0.000 0.264 312 S C 0.572 175.047 174.600 -0.208 0.000 1.040 312 S CA -0.173 57.952 58.200 -0.125 0.000 0.869 312 S CB 0.037 63.149 63.200 -0.147 0.000 1.132 312 S HN 1.325 nan 8.310 nan 0.000 0.474 313 G N 1.127 109.844 108.800 -0.138 0.000 2.268 313 G HA2 0.233 4.192 3.960 -0.001 0.000 0.330 313 G HA3 0.233 4.192 3.960 -0.001 0.000 0.330 313 G C 1.244 175.926 174.900 -0.363 0.000 1.413 313 G CA 0.504 45.424 45.100 -0.299 0.000 1.094 313 G HN 1.581 nan 8.290 nan 0.000 0.581 314 S N -0.350 115.183 115.700 -0.278 0.000 2.441 314 S HA -0.054 4.416 4.470 -0.001 0.000 0.242 314 S C 1.763 176.184 174.600 -0.299 0.000 1.018 314 S CA 1.394 59.430 58.200 -0.274 0.000 0.988 314 S CB -1.251 61.854 63.200 -0.158 0.000 0.778 314 S HN 1.688 nan 8.310 nan 0.000 0.498 315 G N 2.593 111.239 108.800 -0.256 0.000 2.866 315 G HA2 -0.222 3.738 3.960 -0.001 0.000 0.339 315 G HA3 -0.222 3.738 3.960 -0.001 0.000 0.339 315 G C 0.532 175.294 174.900 -0.230 0.000 0.181 315 G CA 0.804 45.761 45.100 -0.237 0.000 1.226 315 G HN 0.582 nan 8.290 nan 0.000 0.395 316 M N 3.346 122.835 119.600 -0.186 0.000 2.466 316 M HA -0.021 4.458 4.480 -0.001 0.000 0.265 316 M C 2.128 178.342 176.300 -0.142 0.000 1.122 316 M CA 1.523 56.741 55.300 -0.136 0.000 1.157 316 M CB -0.677 31.840 32.600 -0.140 0.000 1.352 316 M HN 0.375 nan 8.290 nan 0.000 0.464 317 V N 1.761 121.553 119.914 -0.204 0.000 2.311 317 V HA -0.375 3.744 4.120 -0.001 0.000 0.259 317 V C 2.797 178.850 176.094 -0.068 0.000 1.086 317 V CA 2.762 64.962 62.300 -0.167 0.000 1.078 317 V CB -1.424 30.291 31.823 -0.178 0.000 0.668 317 V HN 0.636 nan 8.190 nan 0.000 0.452 318 M N -0.344 119.203 119.600 -0.088 0.000 2.123 318 M HA -0.136 4.344 4.480 -0.001 0.000 0.263 318 M C 2.349 178.677 176.300 0.047 0.000 1.069 318 M CA 2.113 57.393 55.300 -0.032 0.000 1.133 318 M CB -0.142 32.411 32.600 -0.079 0.000 1.356 318 M HN 0.405 nan 8.290 nan 0.000 0.415 319 S N -0.252 115.460 115.700 0.019 0.000 2.507 319 S HA -0.086 4.383 4.470 -0.001 0.000 0.235 319 S C 1.481 176.082 174.600 0.002 0.000 0.988 319 S CA 1.454 59.672 58.200 0.030 0.000 0.944 319 S CB -0.223 62.996 63.200 0.032 0.000 0.762 319 S HN 0.573 nan 8.310 nan 0.000 0.526 320 T N 0.433 114.986 114.554 -0.002 0.000 2.901 320 T HA 0.081 4.430 4.350 -0.001 0.000 0.252 320 T C 1.308 175.981 174.700 -0.045 0.000 1.035 320 T CA 0.646 62.724 62.100 -0.038 0.000 1.142 320 T CB -0.420 68.449 68.868 0.001 0.000 0.869 320 T HN 0.505 nan 8.240 nan 0.000 0.442 321 F N 2.197 122.085 119.950 -0.104 0.000 2.065 321 F HA -0.196 4.330 4.527 -0.001 0.000 0.298 321 F C 2.214 177.941 175.800 -0.121 0.000 1.112 321 F CA 1.191 59.131 58.000 -0.099 0.000 1.212 321 F CB -0.475 38.477 39.000 -0.080 0.000 0.975 321 F HN -0.115 nan 8.300 nan 0.000 0.476 322 V N 0.358 120.290 119.914 0.030 0.000 2.407 322 V HA -0.296 3.823 4.120 -0.001 0.000 0.248 322 V C 2.469 178.446 176.094 -0.194 0.000 1.055 322 V CA 2.232 64.489 62.300 -0.073 0.000 1.049 322 V CB -0.712 31.145 31.823 0.056 0.000 0.662 322 V HN 0.265 nan 8.190 nan 0.000 0.455 323 R N -0.481 119.918 120.500 -0.168 0.000 2.081 323 R HA -0.204 4.136 4.340 -0.001 0.000 0.235 323 R C 2.438 178.536 176.300 -0.338 0.000 1.131 323 R CA 1.839 57.815 56.100 -0.206 0.000 0.960 323 R CB -0.304 29.883 30.300 -0.188 0.000 0.856 323 R HN 0.561 nan 8.270 nan 0.000 0.436 324 Q N -0.187 119.345 119.800 -0.447 0.000 2.002 324 Q HA -0.279 4.061 4.340 -0.001 0.000 0.204 324 Q C 2.099 177.787 176.000 -0.521 0.000 0.988 324 Q CA 2.119 57.581 55.803 -0.570 0.000 0.843 324 Q CB -0.016 28.389 28.738 -0.556 0.000 0.908 324 Q HN 0.216 nan 8.270 nan 0.000 0.420 325 Q N -0.165 119.222 119.800 -0.687 0.000 2.029 325 Q HA -0.243 4.097 4.340 -0.001 0.000 0.209 325 Q C 1.909 177.324 176.000 -0.975 0.000 0.999 325 Q CA 2.086 57.244 55.803 -1.075 0.000 0.857 325 Q CB -0.715 27.253 28.738 -1.283 0.000 0.926 325 Q HN 0.518 nan 8.270 nan 0.000 0.415 326 A N 0.653 123.195 122.820 -0.463 0.000 1.894 326 A HA -0.287 4.032 4.320 -0.001 0.000 0.220 326 A C 1.921 179.609 177.584 0.173 0.000 1.237 326 A CA 1.860 53.901 52.037 0.007 0.000 0.660 326 A CB -1.234 17.802 19.000 0.060 0.000 0.835 326 A HN 0.457 nan 8.150 nan 0.000 0.461 327 L N -1.067 120.135 121.223 -0.035 0.000 1.924 327 L HA -0.277 4.063 4.340 -0.001 0.000 0.237 327 L C 2.866 179.814 176.870 0.130 0.000 1.090 327 L CA 2.236 57.066 54.840 -0.017 0.000 0.829 327 L CB -0.782 41.173 42.059 -0.173 0.000 0.903 327 L HN 0.521 nan 8.230 nan 0.000 0.430 328 Q N -0.480 119.354 119.800 0.057 0.000 2.182 328 Q HA -0.300 4.039 4.340 -0.001 0.000 0.213 328 Q C 1.834 177.948 176.000 0.191 0.000 1.000 328 Q CA 2.229 58.104 55.803 0.119 0.000 0.889 328 Q CB -0.762 28.027 28.738 0.084 0.000 0.932 328 Q HN 0.641 nan 8.270 nan 0.000 0.415 329 W N 0.197 121.519 121.300 0.038 0.000 2.325 329 W HA -0.068 4.592 4.660 -0.001 0.000 0.299 329 W C 2.129 178.612 176.519 -0.061 0.000 1.215 329 W CA 1.452 58.782 57.345 -0.025 0.000 1.244 329 W CB -1.065 28.366 29.460 -0.049 0.000 1.140 329 W HN 0.256 nan 8.180 nan 0.000 0.523 330 G N -1.435 107.479 108.800 0.190 0.000 3.262 330 G HA2 0.144 4.104 3.960 -0.001 0.000 0.228 330 G HA3 0.144 4.104 3.960 -0.001 0.000 0.228 330 G C 0.928 175.811 174.900 -0.029 0.000 1.197 330 G CA 1.208 46.195 45.100 -0.189 0.000 0.819 330 G HN 0.288 nan 8.290 nan 0.000 0.531 331 T N -4.211 110.405 114.554 0.104 0.000 3.550 331 T HA 0.386 4.736 4.350 -0.001 0.000 0.261 331 T C 2.393 177.142 174.700 0.082 0.000 0.990 331 T CA 1.204 63.360 62.100 0.094 0.000 1.142 331 T CB -0.244 68.684 68.868 0.100 0.000 1.173 331 T HN 0.146 nan 8.240 nan 0.000 0.405 332 A N 3.031 125.916 122.820 0.107 0.000 1.835 332 A HA 0.273 4.593 4.320 -0.001 0.000 0.215 332 A C 1.417 179.043 177.584 0.070 0.000 1.199 332 A CA 1.090 53.180 52.037 0.089 0.000 0.615 332 A CB -0.838 18.225 19.000 0.104 0.000 0.838 332 A HN 0.560 nan 8.150 nan 0.000 0.444 333 M N -0.911 118.743 119.600 0.090 0.000 2.228 333 M HA 0.300 4.780 4.480 -0.001 0.000 0.326 333 M C 1.480 177.785 176.300 0.008 0.000 1.122 333 M CA 0.244 55.570 55.300 0.043 0.000 1.161 333 M CB -0.540 32.084 32.600 0.040 0.000 1.437 333 M HN 0.229 nan 8.290 nan 0.000 0.465 334 G N 1.088 109.869 108.800 -0.031 0.000 2.511 334 G HA2 -0.051 3.909 3.960 -0.001 0.000 0.217 334 G HA3 -0.051 3.909 3.960 -0.001 0.000 0.217 334 G C 0.649 175.503 174.900 -0.077 0.000 1.133 334 G CA -0.063 45.009 45.100 -0.046 0.000 0.792 334 G HN 0.544 nan 8.290 nan 0.000 0.539 335 K N 0.971 121.314 120.400 -0.094 0.000 2.561 335 K HA 0.036 4.356 4.320 -0.001 0.000 0.280 335 K C -0.086 176.429 176.600 -0.142 0.000 0.975 335 K CA 0.308 56.520 56.287 -0.126 0.000 1.024 335 K CB 0.801 33.196 32.500 -0.174 0.000 0.883 335 K HN 0.109 nan 8.250 nan 0.000 0.496 336 K N 1.966 122.286 120.400 -0.133 0.000 2.285 336 K HA 0.175 4.494 4.320 -0.001 0.000 0.286 336 K C -0.635 175.911 176.600 -0.090 0.000 1.072 336 K CA -0.381 55.832 56.287 -0.123 0.000 0.913 336 K CB 0.865 33.316 32.500 -0.082 0.000 1.067 336 K HN 0.218 nan 8.250 nan 0.000 0.479 337 V N 2.738 122.575 119.914 -0.127 0.000 2.439 337 V HA 0.399 4.518 4.120 -0.001 0.000 0.282 337 V C 0.571 176.755 176.094 0.150 0.000 1.039 337 V CA -0.755 61.570 62.300 0.042 0.000 0.913 337 V CB 1.621 33.532 31.823 0.146 0.000 0.983 337 V HN 0.891 nan 8.190 nan 0.000 0.460 338 G N 4.767 113.666 108.800 0.164 0.000 2.372 338 G HA2 0.685 4.644 3.960 -0.001 0.000 0.323 338 G HA3 0.685 4.644 3.960 -0.001 0.000 0.323 338 G C -1.089 173.937 174.900 0.209 0.000 1.152 338 G CA -0.521 44.699 45.100 0.199 0.000 0.906 338 G HN 0.587 nan 8.290 nan 0.000 0.460 339 L N 1.916 123.271 121.223 0.220 0.000 2.349 339 L HA 0.619 4.958 4.340 -0.001 0.000 0.278 339 L C 0.192 177.166 176.870 0.173 0.000 0.996 339 L CA -0.996 53.956 54.840 0.187 0.000 0.825 339 L CB 2.288 44.457 42.059 0.183 0.000 1.243 339 L HN 0.608 nan 8.230 nan 0.000 0.412 340 A N 4.388 127.276 122.820 0.113 0.000 2.511 340 A HA 0.620 4.940 4.320 -0.001 0.000 0.340 340 A C -0.327 177.259 177.584 0.003 0.000 1.396 340 A CA -0.440 51.613 52.037 0.027 0.000 0.887 340 A CB 0.363 19.287 19.000 -0.128 0.000 1.145 340 A HN 0.625 nan 8.150 nan 0.000 0.497 341 M N 3.600 123.228 119.600 0.047 0.000 2.852 341 M HA 0.279 4.759 4.480 -0.001 0.000 0.321 341 M C 0.784 177.095 176.300 0.019 0.000 1.337 341 M CA -0.618 54.706 55.300 0.041 0.000 1.406 341 M CB -0.202 32.436 32.600 0.064 0.000 1.152 341 M HN 0.679 nan 8.290 nan 0.000 0.508 342 L N 0.007 121.209 121.223 -0.036 0.000 2.353 342 L HA -0.144 4.196 4.340 -0.001 0.000 0.220 342 L C 1.840 178.693 176.870 -0.028 0.000 1.133 342 L CA 0.640 55.441 54.840 -0.066 0.000 0.798 342 L CB -0.400 41.574 42.059 -0.142 0.000 0.922 342 L HN 0.542 nan 8.230 nan 0.000 0.445 343 E N 0.725 120.924 120.200 -0.003 0.000 2.028 343 E HA -0.083 4.267 4.350 -0.001 0.000 0.190 343 E C 0.915 177.527 176.600 0.021 0.000 0.984 343 E CA 0.748 57.154 56.400 0.011 0.000 0.800 343 E CB 0.145 29.882 29.700 0.061 0.000 0.758 343 E HN 0.651 nan 8.360 nan 0.000 0.448 344 E N 0.092 120.314 120.200 0.037 0.000 2.285 344 E HA 0.364 4.713 4.350 -0.001 0.000 0.254 344 E C 0.025 176.658 176.600 0.056 0.000 1.011 344 E CA -0.631 55.794 56.400 0.042 0.000 0.873 344 E CB 1.134 30.862 29.700 0.046 0.000 1.229 344 E HN -0.058 nan 8.360 nan 0.000 0.422 345 S N -0.348 115.386 115.700 0.056 0.000 2.617 345 S HA 0.021 4.491 4.470 -0.001 0.000 0.259 345 S C 0.918 175.566 174.600 0.079 0.000 1.301 345 S CA -0.198 58.042 58.200 0.068 0.000 0.984 345 S CB 1.337 64.571 63.200 0.058 0.000 0.954 345 S HN 0.505 nan 8.310 nan 0.000 0.572 346 V N 1.206 121.170 119.914 0.084 0.000 2.649 346 V HA -0.029 4.090 4.120 -0.001 0.000 0.248 346 V C 2.487 178.627 176.094 0.076 0.000 1.054 346 V CA 1.723 64.072 62.300 0.082 0.000 1.073 346 V CB -0.988 30.883 31.823 0.079 0.000 0.699 346 V HN 0.935 nan 8.190 nan 0.000 0.463 347 E N -0.041 120.207 120.200 0.080 0.000 2.031 347 E HA -0.295 4.054 4.350 -0.001 0.000 0.193 347 E C 1.940 178.605 176.600 0.108 0.000 0.994 347 E CA 1.737 58.197 56.400 0.100 0.000 0.800 347 E CB -0.554 29.199 29.700 0.088 0.000 0.752 347 E HN 0.726 nan 8.360 nan 0.000 0.447 348 E N 0.536 120.788 120.200 0.086 0.000 2.021 348 E HA -0.213 4.136 4.350 -0.001 0.000 0.200 348 E C 2.345 178.995 176.600 0.084 0.000 1.015 348 E CA 2.361 58.809 56.400 0.080 0.000 0.824 348 E CB -0.331 29.406 29.700 0.062 0.000 0.762 348 E HN 0.468 nan 8.360 nan 0.000 0.454 349 T N -0.213 114.386 114.554 0.075 0.000 2.720 349 T HA -0.169 4.180 4.350 -0.001 0.000 0.268 349 T C 2.005 176.751 174.700 0.078 0.000 1.037 349 T CA 1.694 63.832 62.100 0.063 0.000 1.144 349 T CB -0.283 68.621 68.868 0.060 0.000 0.864 349 T HN 0.206 nan 8.240 nan 0.000 0.444 350 A N 1.804 124.691 122.820 0.112 0.000 1.892 350 A HA -0.166 4.153 4.320 -0.001 0.000 0.218 350 A C 2.259 179.980 177.584 0.229 0.000 1.188 350 A CA 2.073 54.233 52.037 0.204 0.000 0.631 350 A CB -0.859 18.251 19.000 0.183 0.000 0.822 350 A HN 0.806 nan 8.150 nan 0.000 0.447 351 E N -0.303 120.016 120.200 0.200 0.000 2.051 351 E HA -0.205 4.144 4.350 -0.001 0.000 0.192 351 E C 1.547 178.215 176.600 0.114 0.000 0.991 351 E CA 1.119 57.636 56.400 0.195 0.000 0.799 351 E CB -0.325 29.480 29.700 0.175 0.000 0.748 351 E HN 0.533 nan 8.360 nan 0.000 0.449 352 D N 0.925 121.368 120.400 0.071 0.000 2.149 352 D HA -0.136 4.503 4.640 -0.001 0.000 0.198 352 D C 2.076 178.349 176.300 -0.045 0.000 0.990 352 D CA 0.740 54.751 54.000 0.018 0.000 0.839 352 D CB -0.096 40.709 40.800 0.009 0.000 0.948 352 D HN 0.127 nan 8.370 nan 0.000 0.460 353 L N 0.460 121.645 121.223 -0.064 0.000 1.937 353 L HA -0.183 4.157 4.340 -0.001 0.000 0.213 353 L C 2.634 179.382 176.870 -0.204 0.000 1.077 353 L CA 0.841 55.568 54.840 -0.188 0.000 0.758 353 L CB -0.525 41.386 42.059 -0.246 0.000 0.888 353 L HN 0.010 nan 8.230 nan 0.000 0.433 354 I N -0.052 120.387 120.570 -0.219 0.000 2.130 354 I HA -0.398 3.771 4.170 -0.001 0.000 0.241 354 I C 2.499 178.571 176.117 -0.074 0.000 1.023 354 I CA 1.933 63.138 61.300 -0.158 0.000 1.293 354 I CB -0.937 37.080 38.000 0.028 0.000 1.001 354 I HN 0.444 nan 8.210 nan 0.000 0.407 355 G N 0.289 109.095 108.800 0.010 0.000 2.421 355 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.216 355 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.216 355 G C 1.550 176.432 174.900 -0.029 0.000 1.171 355 G CA 0.616 45.724 45.100 0.013 0.000 0.775 355 G HN 0.259 nan 8.290 nan 0.000 0.543 356 L N 0.371 121.568 121.223 -0.043 0.000 2.129 356 L HA -0.128 4.212 4.340 -0.001 0.000 0.212 356 L C 2.325 179.290 176.870 0.158 0.000 1.087 356 L CA 2.286 57.087 54.840 -0.064 0.000 0.757 356 L CB -0.843 41.037 42.059 -0.297 0.000 0.896 356 L HN 0.530 nan 8.230 nan 0.000 0.434 357 H N -1.582 117.429 119.070 -0.098 0.000 2.482 357 H HA 0.016 4.571 4.556 -0.001 0.000 0.286 357 H C 0.789 176.017 175.328 -0.168 0.000 1.017 357 H CA 0.936 56.931 56.048 -0.087 0.000 1.322 357 H CB 0.445 30.049 29.762 -0.264 0.000 1.426 357 H HN 0.380 nan 8.280 nan 0.000 0.546 358 N N 0.896 119.381 118.700 -0.359 0.000 2.268 358 N HA 0.014 4.753 4.740 -0.001 0.000 0.204 358 N C -0.411 174.919 175.510 -0.299 0.000 1.124 358 N CA -0.153 52.533 53.050 -0.607 0.000 0.838 358 N CB 0.310 38.016 38.487 -1.301 0.000 0.994 358 N HN 0.132 nan 8.380 nan 0.000 0.489 359 R N -0.572 119.903 120.500 -0.042 0.000 3.251 359 R HA -0.130 4.209 4.340 -0.001 0.000 0.249 359 R C -0.817 175.486 176.300 0.004 0.000 0.949 359 R CA 0.489 56.613 56.100 0.040 0.000 0.645 359 R CB -3.056 27.150 30.300 -0.156 0.000 1.065 359 R HN 0.196 nan 8.270 nan 0.000 0.452 360 V N -2.979 116.951 119.914 0.027 0.000 2.851 360 V HA 0.564 4.683 4.120 -0.001 0.000 0.307 360 V C 0.387 176.526 176.094 0.074 0.000 1.129 360 V CA -1.353 60.978 62.300 0.051 0.000 0.932 360 V CB 2.755 34.626 31.823 0.080 0.000 1.024 360 V HN 0.186 nan 8.190 nan 0.000 0.426 361 R N 3.538 124.084 120.500 0.076 0.000 2.612 361 R HA 0.226 4.566 4.340 -0.001 0.000 0.273 361 R C 0.597 176.955 176.300 0.096 0.000 1.376 361 R CA -0.372 55.775 56.100 0.078 0.000 1.171 361 R CB 0.467 30.809 30.300 0.070 0.000 1.151 361 R HN 0.840 nan 8.270 nan 0.000 0.560 362 L N 3.960 125.251 121.223 0.114 0.000 1.973 362 L HA -0.169 4.170 4.340 -0.001 0.000 0.208 362 L C 2.219 179.161 176.870 0.121 0.000 1.073 362 L CA 1.831 56.762 54.840 0.152 0.000 0.746 362 L CB -0.288 41.894 42.059 0.206 0.000 0.891 362 L HN 0.423 nan 8.230 nan 0.000 0.433 363 R N -0.720 119.842 120.500 0.104 0.000 2.120 363 R HA -0.160 4.179 4.340 -0.001 0.000 0.234 363 R C 1.578 177.919 176.300 0.070 0.000 1.123 363 R CA 1.251 57.402 56.100 0.085 0.000 0.975 363 R CB -0.826 29.519 30.300 0.075 0.000 0.866 363 R HN 0.447 nan 8.270 nan 0.000 0.446 364 Q N 1.282 121.125 119.800 0.071 0.000 2.344 364 Q HA 0.104 4.443 4.340 -0.001 0.000 0.212 364 Q C -0.254 175.781 176.000 0.058 0.000 0.943 364 Q CA 0.190 56.030 55.803 0.061 0.000 0.955 364 Q CB 0.645 29.422 28.738 0.065 0.000 1.000 364 Q HN 0.141 nan 8.270 nan 0.000 0.488 365 S N -0.459 115.277 115.700 0.061 0.000 2.680 365 S HA 0.120 4.590 4.470 -0.001 0.000 0.262 365 S C -0.005 174.624 174.600 0.047 0.000 1.138 365 S CA -0.714 57.519 58.200 0.055 0.000 1.072 365 S CB 0.860 64.099 63.200 0.065 0.000 1.097 365 S HN 0.215 nan 8.310 nan 0.000 0.468 366 D N 4.057 124.478 120.400 0.035 0.000 2.126 366 D HA -0.185 4.454 4.640 -0.001 0.000 0.190 366 D C 2.001 178.315 176.300 0.022 0.000 1.001 366 D CA 2.757 56.771 54.000 0.024 0.000 0.841 366 D CB -0.209 40.601 40.800 0.018 0.000 0.949 366 D HN 0.620 nan 8.370 nan 0.000 0.446 367 S N 0.036 115.751 115.700 0.025 0.000 2.356 367 S HA -0.156 4.314 4.470 -0.001 0.000 0.223 367 S C 2.367 176.981 174.600 0.022 0.000 1.032 367 S CA 1.007 59.219 58.200 0.020 0.000 1.005 367 S CB -0.883 62.330 63.200 0.022 0.000 0.867 367 S HN 0.412 nan 8.310 nan 0.000 0.449 368 L N 0.905 122.152 121.223 0.040 0.000 2.056 368 L HA -0.060 4.279 4.340 -0.001 0.000 0.207 368 L C 2.566 179.461 176.870 0.041 0.000 1.078 368 L CA 1.696 56.567 54.840 0.051 0.000 0.749 368 L CB -0.539 41.576 42.059 0.094 0.000 0.901 368 L HN 0.317 nan 8.230 nan 0.000 0.433 369 K N -0.140 120.289 120.400 0.048 0.000 2.015 369 K HA -0.275 4.044 4.320 -0.001 0.000 0.216 369 K C 2.254 178.847 176.600 -0.012 0.000 1.052 369 K CA 2.294 58.600 56.287 0.032 0.000 0.937 369 K CB -0.391 32.124 32.500 0.025 0.000 0.719 369 K HN 0.241 nan 8.250 nan 0.000 0.446 370 R N 1.395 121.885 120.500 -0.015 0.000 2.083 370 R HA -0.210 4.129 4.340 -0.001 0.000 0.237 370 R C 1.778 178.055 176.300 -0.038 0.000 1.137 370 R CA 1.865 57.947 56.100 -0.031 0.000 0.951 370 R CB -0.529 29.759 30.300 -0.020 0.000 0.851 370 R HN 0.301 nan 8.270 nan 0.000 0.434 371 E N 1.014 121.197 120.200 -0.029 0.000 2.035 371 E HA -0.220 4.129 4.350 -0.001 0.000 0.204 371 E C 2.110 178.665 176.600 -0.075 0.000 1.025 371 E CA 2.191 58.567 56.400 -0.040 0.000 0.835 371 E CB -0.359 29.325 29.700 -0.026 0.000 0.764 371 E HN 0.656 nan 8.360 nan 0.000 0.457 372 I N -1.152 119.354 120.570 -0.106 0.000 2.676 372 I HA -0.170 3.999 4.170 -0.001 0.000 0.259 372 I C 2.055 178.125 176.117 -0.078 0.000 1.194 372 I CA 0.674 61.865 61.300 -0.181 0.000 1.473 372 I CB -0.202 37.582 38.000 -0.361 0.000 1.096 372 I HN -0.003 nan 8.210 nan 0.000 0.443 373 I N 2.064 122.595 120.570 -0.065 0.000 2.179 373 I HA -0.219 3.951 4.170 -0.001 0.000 0.242 373 I C 2.541 178.627 176.117 -0.053 0.000 1.088 373 I CA 1.778 63.027 61.300 -0.084 0.000 1.357 373 I CB -1.017 36.903 38.000 -0.134 0.000 1.051 373 I HN 0.421 nan 8.210 nan 0.000 0.409 374 E N 1.116 121.283 120.200 -0.054 0.000 2.051 374 E HA -0.168 4.182 4.350 -0.001 0.000 0.189 374 E C 1.399 177.975 176.600 -0.040 0.000 0.979 374 E CA 1.057 57.432 56.400 -0.043 0.000 0.803 374 E CB -0.305 29.372 29.700 -0.039 0.000 0.761 374 E HN 0.522 nan 8.360 nan 0.000 0.451 375 N N 0.467 119.134 118.700 -0.055 0.000 2.567 375 N HA -0.030 4.710 4.740 -0.001 0.000 0.195 375 N C 1.113 176.582 175.510 -0.068 0.000 1.242 375 N CA 1.004 54.018 53.050 -0.059 0.000 0.884 375 N CB 0.139 38.584 38.487 -0.069 0.000 1.007 375 N HN 0.268 nan 8.380 nan 0.000 0.450 376 G N 0.537 109.306 108.800 -0.051 0.000 2.257 376 G HA2 -0.427 3.533 3.960 -0.001 0.000 0.267 376 G HA3 -0.427 3.533 3.960 -0.001 0.000 0.267 376 G C 1.066 175.916 174.900 -0.083 0.000 0.984 376 G CA 0.744 45.824 45.100 -0.034 0.000 0.626 376 G HN 0.500 nan 8.290 nan 0.000 0.540 377 K N -0.723 119.555 120.400 -0.203 0.000 2.147 377 K HA -0.019 4.301 4.320 -0.001 0.000 0.205 377 K C 2.080 178.369 176.600 -0.519 0.000 1.049 377 K CA 1.422 57.431 56.287 -0.464 0.000 0.936 377 K CB -0.219 31.844 32.500 -0.728 0.000 0.722 377 K HN 0.507 nan 8.250 nan 0.000 0.446 378 F N 2.927 122.657 119.950 -0.366 0.000 2.046 378 F HA -0.249 4.278 4.527 -0.001 0.000 0.297 378 F C 1.784 177.624 175.800 0.066 0.000 1.123 378 F CA 1.709 59.629 58.000 -0.133 0.000 1.199 378 F CB -0.259 38.707 39.000 -0.055 0.000 0.972 378 F HN 0.004 nan 8.300 nan 0.000 0.474 379 D N -0.191 120.187 120.400 -0.036 0.000 2.218 379 D HA -0.211 4.428 4.640 -0.001 0.000 0.204 379 D C 2.114 178.399 176.300 -0.026 0.000 0.976 379 D CA 1.262 55.210 54.000 -0.087 0.000 0.853 379 D CB -0.276 40.563 40.800 0.064 0.000 0.939 379 D HN 0.556 nan 8.370 nan 0.000 0.481 380 Q N -0.488 119.304 119.800 -0.014 0.000 2.033 380 Q HA -0.130 4.210 4.340 -0.001 0.000 0.196 380 Q C 2.021 178.138 176.000 0.196 0.000 0.970 380 Q CA 0.859 56.702 55.803 0.067 0.000 0.828 380 Q CB 0.019 28.774 28.738 0.028 0.000 0.895 380 Q HN 0.193 nan 8.270 nan 0.000 0.440 381 W N 0.199 121.480 121.300 -0.032 0.000 2.358 381 W HA -0.163 4.497 4.660 -0.001 0.000 0.303 381 W C 2.065 178.517 176.519 -0.110 0.000 1.208 381 W CA 0.591 57.905 57.345 -0.051 0.000 1.274 381 W CB -1.194 28.239 29.460 -0.046 0.000 1.138 381 W HN 0.260 nan 8.180 nan 0.000 0.515 382 F N 1.755 121.654 119.950 -0.085 0.000 2.046 382 F HA -0.298 4.229 4.527 -0.001 0.000 0.297 382 F C 2.163 177.945 175.800 -0.029 0.000 1.123 382 F CA 2.418 60.306 58.000 -0.187 0.000 1.199 382 F CB -0.479 38.223 39.000 -0.497 0.000 0.972 382 F HN -0.291 nan 8.300 nan 0.000 0.474 383 D N 0.476 121.105 120.400 0.382 0.000 2.127 383 D HA -0.225 4.414 4.640 -0.001 0.000 0.190 383 D C 2.214 178.577 176.300 0.103 0.000 1.000 383 D CA 1.579 55.734 54.000 0.259 0.000 0.839 383 D CB -0.687 40.228 40.800 0.192 0.000 0.955 383 D HN 0.325 nan 8.370 nan 0.000 0.446 384 E N 0.137 120.393 120.200 0.093 0.000 2.086 384 E HA -0.212 4.138 4.350 -0.001 0.000 0.205 384 E C 2.208 178.805 176.600 -0.005 0.000 1.027 384 E CA 0.842 57.286 56.400 0.073 0.000 0.830 384 E CB -0.459 29.315 29.700 0.123 0.000 0.751 384 E HN 0.268 nan 8.360 nan 0.000 0.456 385 L N -0.791 120.325 121.223 -0.180 0.000 2.049 385 L HA -0.033 4.306 4.340 -0.001 0.000 0.203 385 L C 2.192 178.877 176.870 -0.309 0.000 1.074 385 L CA 1.612 56.167 54.840 -0.476 0.000 0.749 385 L CB -0.577 40.907 42.059 -0.959 0.000 0.907 385 L HN -0.045 nan 8.230 nan 0.000 0.439 386 F N 0.481 120.282 119.950 -0.248 0.000 2.473 386 F HA 0.304 4.831 4.527 -0.001 0.000 0.294 386 F C 2.259 178.016 175.800 -0.072 0.000 1.103 386 F CA 0.322 58.192 58.000 -0.216 0.000 1.442 386 F CB -1.316 37.311 39.000 -0.621 0.000 1.097 386 F HN 0.186 nan 8.300 nan 0.000 0.547 387 G N 0.010 108.903 108.800 0.156 0.000 3.337 387 G HA2 -0.138 3.822 3.960 -0.001 0.000 0.226 387 G HA3 -0.138 3.822 3.960 -0.001 0.000 0.226 387 G C 0.759 175.724 174.900 0.107 0.000 1.295 387 G CA 0.102 45.294 45.100 0.152 0.000 1.427 387 G HN 0.359 nan 8.290 nan 0.000 0.535 388 N N 0.295 119.054 118.700 0.099 0.000 2.305 388 N HA 0.028 4.768 4.740 -0.001 0.000 0.248 388 N C -0.236 175.305 175.510 0.053 0.000 1.290 388 N CA -0.297 52.792 53.050 0.065 0.000 0.873 388 N CB 0.512 39.029 38.487 0.050 0.000 1.261 388 N HN 0.106 nan 8.380 nan 0.000 0.504 389 D N 0.644 121.079 120.400 0.058 0.000 2.730 389 D HA -0.195 4.444 4.640 -0.001 0.000 0.227 389 D C 0.895 177.243 176.300 0.080 0.000 1.196 389 D CA 1.092 55.114 54.000 0.037 0.000 0.620 389 D CB -0.650 40.214 40.800 0.106 0.000 1.012 389 D HN 0.328 nan 8.370 nan 0.000 0.411 390 T N -1.866 112.663 114.554 -0.041 0.000 2.999 390 T HA 0.210 4.559 4.350 -0.001 0.000 0.247 390 T C 0.465 174.958 174.700 -0.345 0.000 1.012 390 T CA -0.100 61.908 62.100 -0.153 0.000 1.048 390 T CB 0.028 68.737 68.868 -0.266 0.000 1.020 390 T HN 0.102 nan 8.240 nan 0.000 0.478 391 F N 2.883 122.802 119.950 -0.052 0.000 2.404 391 F HA 0.562 5.088 4.527 -0.001 0.000 0.339 391 F C 0.557 176.086 175.800 -0.451 0.000 1.105 391 F CA -0.790 57.173 58.000 -0.060 0.000 1.087 391 F CB 0.933 39.968 39.000 0.057 0.000 1.143 391 F HN 0.178 nan 8.300 nan 0.000 0.491 392 H N 3.909 123.066 119.070 0.145 0.000 2.954 392 H HA 0.535 5.090 4.556 -0.001 0.000 0.361 392 H C -1.476 173.924 175.328 0.121 0.000 1.122 392 H CA -0.919 55.182 56.048 0.089 0.000 1.217 392 H CB 2.156 31.959 29.762 0.068 0.000 1.776 392 H HN 0.399 nan 8.280 nan 0.000 0.533 393 L N 2.241 123.582 121.223 0.197 0.000 2.365 393 L HA 0.224 4.563 4.340 -0.001 0.000 0.273 393 L C -0.393 176.603 176.870 0.210 0.000 1.000 393 L CA -1.010 53.944 54.840 0.191 0.000 0.819 393 L CB 1.062 43.199 42.059 0.129 0.000 1.284 393 L HN 0.477 nan 8.230 nan 0.000 0.418 394 Y N 2.301 122.661 120.300 0.100 0.000 2.544 394 Y HA 0.339 4.888 4.550 -0.001 0.000 0.330 394 Y C -0.249 175.689 175.900 0.062 0.000 1.136 394 Y CA -0.577 57.569 58.100 0.077 0.000 1.417 394 Y CB 0.503 39.003 38.460 0.067 0.000 1.229 394 Y HN 0.745 nan 8.280 nan 0.000 0.532 395 D N 3.971 124.359 120.400 -0.020 0.000 2.391 395 D HA 0.334 4.974 4.640 -0.001 0.000 0.245 395 D C -0.533 175.753 176.300 -0.023 0.000 1.069 395 D CA -0.481 53.565 54.000 0.077 0.000 0.831 395 D CB 2.020 42.834 40.800 0.024 0.000 1.204 395 D HN 0.503 nan 8.370 nan 0.000 0.503 396 S N 3.188 119.029 115.700 0.235 0.000 3.757 396 S HA 0.632 5.101 4.470 -0.001 0.000 0.190 396 S C -0.248 174.509 174.600 0.262 0.000 0.948 396 S CA -0.233 58.154 58.200 0.311 0.000 1.592 396 S CB -0.373 63.108 63.200 0.468 0.000 0.656 396 S HN 0.587 nan 8.310 nan 0.000 0.640 402 T N -1.018 113.533 114.554 -0.006 0.000 2.866 402 T HA -0.017 4.333 4.350 -0.001 0.000 0.250 402 T C 0.923 175.611 174.700 -0.020 0.000 1.033 402 T CA 1.853 63.943 62.100 -0.017 0.000 1.145 402 T CB -0.375 68.484 68.868 -0.015 0.000 0.866 402 T HN 0.393 nan 8.240 nan 0.000 0.434 403 D N 1.123 121.514 120.400 -0.014 0.000 2.092 403 D HA -0.113 4.527 4.640 -0.001 0.000 0.193 403 D C 2.315 178.605 176.300 -0.017 0.000 0.994 403 D CA 1.081 55.071 54.000 -0.018 0.000 0.828 403 D CB -0.449 40.344 40.800 -0.012 0.000 0.963 403 D HN 0.424 nan 8.370 nan 0.000 0.450 404 R N 0.617 121.116 120.500 -0.002 0.000 2.113 404 R HA -0.204 4.136 4.340 -0.001 0.000 0.244 404 R C 2.415 178.741 176.300 0.044 0.000 1.142 404 R CA 1.347 57.455 56.100 0.015 0.000 0.953 404 R CB -0.657 29.658 30.300 0.026 0.000 0.860 404 R HN 0.198 nan 8.270 nan 0.000 0.438 405 L N 0.761 122.011 121.223 0.046 0.000 1.976 405 L HA -0.159 4.180 4.340 -0.001 0.000 0.209 405 L C 2.288 179.152 176.870 -0.009 0.000 1.071 405 L CA 1.499 56.375 54.840 0.061 0.000 0.746 405 L CB -0.683 41.348 42.059 -0.046 0.000 0.890 405 L HN 0.245 nan 8.230 nan 0.000 0.432 406 L N 0.029 121.206 121.223 -0.078 0.000 2.137 406 L HA -0.229 4.110 4.340 -0.001 0.000 0.213 406 L C 2.641 179.379 176.870 -0.220 0.000 1.085 406 L CA 2.110 56.840 54.840 -0.183 0.000 0.760 406 L CB -1.807 40.166 42.059 -0.144 0.000 0.893 406 L HN 0.516 nan 8.230 nan 0.000 0.434 407 A N -0.861 121.899 122.820 -0.100 0.000 1.873 407 A HA -0.167 4.152 4.320 -0.001 0.000 0.215 407 A C 2.206 179.775 177.584 -0.025 0.000 1.186 407 A CA 1.169 53.166 52.037 -0.066 0.000 0.616 407 A CB -0.249 18.732 19.000 -0.031 0.000 0.823 407 A HN 0.270 nan 8.150 nan 0.000 0.442 408 K N -0.007 120.409 120.400 0.026 0.000 2.009 408 K HA -0.094 4.226 4.320 -0.001 0.000 0.210 408 K C 1.857 178.535 176.600 0.129 0.000 1.049 408 K CA 1.239 57.587 56.287 0.101 0.000 0.929 408 K CB -1.067 31.562 32.500 0.216 0.000 0.714 408 K HN 0.457 nan 8.250 nan 0.000 0.440 409 L N 0.984 122.228 121.223 0.034 0.000 2.043 409 L HA -0.250 4.090 4.340 -0.001 0.000 0.212 409 L C 2.517 179.333 176.870 -0.090 0.000 1.075 409 L CA 1.785 56.597 54.840 -0.046 0.000 0.752 409 L CB -0.561 41.346 42.059 -0.252 0.000 0.891 409 L HN 0.193 nan 8.230 nan 0.000 0.432 410 A N -1.268 121.383 122.820 -0.281 0.000 1.898 410 A HA -0.272 4.047 4.320 -0.001 0.000 0.216 410 A C 2.198 179.874 177.584 0.152 0.000 1.181 410 A CA 1.532 53.509 52.037 -0.100 0.000 0.620 410 A CB -0.937 17.976 19.000 -0.145 0.000 0.819 410 A HN 0.532 nan 8.150 nan 0.000 0.442 411 Y N 0.381 120.687 120.300 0.010 0.000 2.352 411 Y HA -0.157 4.393 4.550 -0.001 0.000 0.292 411 Y C 2.152 178.068 175.900 0.026 0.000 1.136 411 Y CA 1.678 59.790 58.100 0.019 0.000 1.227 411 Y CB -0.311 38.147 38.460 -0.004 0.000 0.991 411 Y HN 0.269 nan 8.280 nan 0.000 0.545 412 M N -0.336 119.326 119.600 0.104 0.000 2.059 412 M HA -0.208 4.272 4.480 -0.001 0.000 0.259 412 M C 2.333 178.586 176.300 -0.079 0.000 1.072 412 M CA 1.978 57.276 55.300 -0.003 0.000 1.117 412 M CB -0.526 32.153 32.600 0.132 0.000 1.320 412 M HN 0.127 nan 8.290 nan 0.000 0.408 413 R N 0.588 121.141 120.500 0.087 0.000 2.083 413 R HA -0.076 4.264 4.340 -0.001 0.000 0.237 413 R C 2.039 178.306 176.300 -0.054 0.000 1.137 413 R CA 2.415 58.548 56.100 0.055 0.000 0.951 413 R CB -0.922 29.511 30.300 0.222 0.000 0.851 413 R HN 0.244 nan 8.270 nan 0.000 0.434 414 S N -1.264 114.404 115.700 -0.053 0.000 2.404 414 S HA 0.187 4.656 4.470 -0.001 0.000 0.223 414 S C 1.552 176.031 174.600 -0.201 0.000 1.040 414 S CA 0.657 58.809 58.200 -0.081 0.000 0.957 414 S CB 0.072 63.277 63.200 0.008 0.000 0.826 414 S HN 0.630 nan 8.310 nan 0.000 0.491 415 G N 1.852 110.379 108.800 -0.454 0.000 2.473 415 G HA2 0.012 3.971 3.960 -0.001 0.000 0.212 415 G HA3 0.012 3.971 3.960 -0.001 0.000 0.212 415 G C 1.040 175.619 174.900 -0.535 0.000 1.211 415 G CA 0.387 45.093 45.100 -0.656 0.000 0.813 415 G HN 0.435 nan 8.290 nan 0.000 0.541 416 L N 1.133 121.970 121.223 -0.643 0.000 2.554 416 L HA 0.381 4.720 4.340 -0.001 0.000 0.226 416 L C 1.711 178.387 176.870 -0.323 0.000 1.137 416 L CA 0.465 55.047 54.840 -0.429 0.000 0.863 416 L CB -0.798 40.954 42.059 -0.512 0.000 0.985 416 L HN 0.262 nan 8.230 nan 0.000 0.451 417 G N 0.656 109.297 108.800 -0.265 0.000 2.386 417 G HA2 -0.279 3.681 3.960 -0.001 0.000 0.295 417 G HA3 -0.279 3.681 3.960 -0.001 0.000 0.295 417 G C 0.255 175.057 174.900 -0.164 0.000 0.979 417 G CA 0.209 45.201 45.100 -0.181 0.000 1.193 417 G HN 0.507 nan 8.290 nan 0.000 0.508 418 C N -0.624 118.584 119.300 -0.153 0.000 2.443 418 C HA 0.727 5.186 4.460 -0.001 0.000 0.369 418 C C 1.134 176.062 174.990 -0.103 0.000 1.241 418 C CA -0.153 58.797 59.018 -0.113 0.000 2.413 418 C CB 1.556 29.256 27.740 -0.065 0.000 2.451 418 C HN 0.575 nan 8.230 nan 0.000 0.595 419 D N -0.558 119.773 120.400 -0.115 0.000 2.449 419 D HA 0.204 4.843 4.640 -0.001 0.000 0.210 419 D C 0.036 176.240 176.300 -0.160 0.000 1.094 419 D CA 0.102 54.010 54.000 -0.154 0.000 0.846 419 D CB -0.058 40.633 40.800 -0.183 0.000 1.003 419 D HN 0.363 nan 8.370 nan 0.000 0.504 420 V N 1.553 121.408 119.914 -0.099 0.000 2.604 420 V HA 0.393 4.513 4.120 -0.001 0.000 0.305 420 V C -0.762 175.373 176.094 0.067 0.000 1.043 420 V CA -0.812 61.467 62.300 -0.035 0.000 0.888 420 V CB 2.601 34.430 31.823 0.011 0.000 0.995 420 V HN 0.049 nan 8.190 nan 0.000 0.429 421 I N 5.184 125.816 120.570 0.103 0.000 2.447 421 I HA 0.476 4.646 4.170 -0.001 0.000 0.287 421 I C -0.410 175.813 176.117 0.177 0.000 1.023 421 I CA -0.302 61.095 61.300 0.162 0.000 1.083 421 I CB 1.943 40.077 38.000 0.223 0.000 1.245 421 I HN 0.463 nan 8.210 nan 0.000 0.434 422 I N 6.762 127.442 120.570 0.182 0.000 2.321 422 I HA 0.232 4.401 4.170 -0.001 0.000 0.291 422 I C -0.490 175.702 176.117 0.124 0.000 0.998 422 I CA -0.744 60.657 61.300 0.169 0.000 1.227 422 I CB 1.778 39.880 38.000 0.170 0.000 1.368 422 I HN 0.275 nan 8.210 nan 0.000 0.466 423 L N 7.283 128.569 121.223 0.105 0.000 2.313 423 L HA 0.381 4.721 4.340 -0.001 0.000 0.273 423 L C -0.383 176.518 176.870 0.052 0.000 1.028 423 L CA -0.098 54.776 54.840 0.057 0.000 0.871 423 L CB 0.804 42.893 42.059 0.050 0.000 1.242 423 L HN 0.423 nan 8.230 nan 0.000 0.434 424 D N 4.622 125.048 120.400 0.044 0.000 2.422 424 D HA 0.221 4.860 4.640 -0.001 0.000 0.227 424 D C -0.779 175.575 176.300 0.089 0.000 1.190 424 D CA 0.249 54.288 54.000 0.064 0.000 0.905 424 D CB -0.065 40.774 40.800 0.065 0.000 1.034 424 D HN 0.636 nan 8.370 nan 0.000 0.507 425 H N 4.004 123.008 119.070 -0.109 0.000 3.876 425 H HA -0.148 4.408 4.556 -0.001 0.000 0.399 425 H C 0.217 175.449 175.328 -0.160 0.000 1.172 425 H CA -0.357 55.567 56.048 -0.206 0.000 1.364 425 H CB -1.292 28.285 29.762 -0.307 0.000 1.388 425 H HN 0.443 nan 8.280 nan 0.000 0.418 426 I N 2.316 122.948 120.570 0.103 0.000 2.454 426 I HA -0.206 3.963 4.170 -0.001 0.000 0.254 426 I C 1.669 177.756 176.117 -0.051 0.000 1.156 426 I CA 1.838 63.143 61.300 0.008 0.000 1.433 426 I CB -0.488 37.533 38.000 0.036 0.000 1.082 426 I HN 0.584 nan 8.210 nan 0.000 0.432 427 S N 1.403 117.084 115.700 -0.032 0.000 2.380 427 S HA -0.182 4.288 4.470 -0.001 0.000 0.229 427 S C 1.055 175.534 174.600 -0.201 0.000 1.043 427 S CA 0.859 59.003 58.200 -0.094 0.000 1.038 427 S CB -0.643 62.570 63.200 0.022 0.000 0.872 427 S HN 0.381 nan 8.310 nan 0.000 0.456 428 I N 3.357 123.710 120.570 -0.363 0.000 2.574 428 I HA -0.008 4.161 4.170 -0.001 0.000 0.291 428 I C 1.281 177.310 176.117 -0.146 0.000 1.131 428 I CA -0.283 60.870 61.300 -0.245 0.000 1.352 428 I CB -0.197 37.636 38.000 -0.278 0.000 1.431 428 I HN 0.026 nan 8.210 nan 0.000 0.543 429 V N 4.711 124.568 119.914 -0.094 0.000 2.265 429 V HA 0.049 4.168 4.120 -0.001 0.000 0.224 429 V C 0.990 177.051 176.094 -0.056 0.000 1.023 429 V CA 0.069 62.333 62.300 -0.061 0.000 1.011 429 V CB -0.700 31.100 31.823 -0.039 0.000 0.651 429 V HN 0.479 nan 8.190 nan 0.000 0.466 430 V N 0.331 120.224 119.914 -0.035 0.000 3.478 430 V HA 0.010 4.129 4.120 -0.001 0.000 0.490 430 V C -0.033 176.067 176.094 0.009 0.000 0.682 430 V CA 0.895 63.188 62.300 -0.013 0.000 2.029 430 V CB -1.505 30.309 31.823 -0.014 0.000 2.466 430 V HN 1.725 nan 8.190 nan 0.000 0.504 431 S N 2.550 118.258 115.700 0.013 0.000 2.972 431 S HA 0.407 4.876 4.470 -0.001 0.000 0.824 431 S C 0.020 174.627 174.600 0.012 0.000 0.724 431 S CA 0.240 58.452 58.200 0.020 0.000 1.535 431 S CB -0.787 62.435 63.200 0.037 0.000 1.078 431 S HN 2.711 nan 8.310 nan 0.000 0.653 432 A N 3.075 125.900 122.820 0.009 0.000 2.029 432 A HA 0.389 4.708 4.320 -0.001 0.000 0.230 432 A C -0.093 177.493 177.584 0.004 0.000 2.841 432 A CA 0.136 52.175 52.037 0.005 0.000 2.008 432 A CB -0.684 18.317 19.000 0.002 0.000 0.283 432 A HN 1.302 nan 8.150 nan 0.000 0.875 433 S N 0.789 116.493 115.700 0.006 0.000 2.503 433 S HA 0.487 4.957 4.470 -0.001 0.000 0.317 433 S C 1.074 175.676 174.600 0.004 0.000 1.162 433 S CA 0.575 58.778 58.200 0.004 0.000 1.124 433 S CB 0.560 63.764 63.200 0.006 0.000 1.207 433 S HN 1.664 nan 8.310 nan 0.000 0.538 434 G N 2.333 111.135 108.800 0.002 0.000 4.417 434 G HA2 0.247 4.206 3.960 -0.001 0.000 0.221 434 G HA3 0.247 4.206 3.960 -0.001 0.000 0.221 434 G C -0.614 174.287 174.900 0.002 0.000 1.003 434 G CA -0.701 44.400 45.100 0.002 0.000 0.832 434 G HN 0.580 nan 8.290 nan 0.000 0.356 435 E N 0.694 120.895 120.200 0.001 0.000 2.222 435 E HA 0.769 5.118 4.350 -0.001 0.000 0.267 435 E C 0.189 176.789 176.600 0.001 0.000 0.884 435 E CA -0.707 55.693 56.400 0.001 0.000 0.764 435 E CB 1.688 31.389 29.700 0.001 0.000 1.169 435 E HN -0.059 nan 8.360 nan 0.000 0.413 436 S N 1.293 116.994 115.700 0.001 0.000 2.502 436 S HA 0.025 4.494 4.470 -0.001 0.000 0.251 436 S C 0.077 174.678 174.600 0.001 0.000 1.254 436 S CA -0.586 57.615 58.200 0.002 0.000 0.989 436 S CB -0.047 63.154 63.200 0.002 0.000 1.015 436 S HN 0.695 nan 8.310 nan 0.000 0.529 437 D N 1.745 122.146 120.400 0.002 0.000 3.139 437 D HA -0.108 4.532 4.640 -0.001 0.000 0.212 437 D C 1.059 177.360 176.300 0.002 0.000 1.084 437 D CA 0.510 54.511 54.000 0.003 0.000 0.777 437 D CB 0.309 41.112 40.800 0.005 0.000 1.156 437 D HN 0.422 nan 8.370 nan 0.000 0.537 438 E N 3.269 123.470 120.200 0.001 0.000 2.273 438 E HA -0.227 4.123 4.350 -0.001 0.000 0.198 438 E C 1.869 178.471 176.600 0.004 0.000 1.002 438 E CA 0.579 56.979 56.400 -0.001 0.000 0.828 438 E CB 0.165 29.863 29.700 -0.003 0.000 0.747 438 E HN 0.461 nan 8.360 nan 0.000 0.491 439 R N 0.840 121.344 120.500 0.006 0.000 2.115 439 R HA -0.199 4.140 4.340 -0.001 0.000 0.239 439 R C 2.499 178.804 176.300 0.009 0.000 1.133 439 R CA 1.804 57.910 56.100 0.009 0.000 0.935 439 R CB -0.160 30.145 30.300 0.009 0.000 0.853 439 R HN -0.034 nan 8.270 nan 0.000 0.433 440 K N 0.409 120.813 120.400 0.007 0.000 1.984 440 K HA -0.145 4.174 4.320 -0.001 0.000 0.209 440 K C 2.024 178.629 176.600 0.007 0.000 1.046 440 K CA 1.374 57.666 56.287 0.007 0.000 0.934 440 K CB -0.296 32.208 32.500 0.006 0.000 0.717 440 K HN 0.135 nan 8.250 nan 0.000 0.438 441 M N 1.841 121.444 119.600 0.004 0.000 2.117 441 M HA -0.164 4.315 4.480 -0.001 0.000 0.262 441 M C 2.194 178.496 176.300 0.003 0.000 1.065 441 M CA 1.058 56.359 55.300 0.003 0.000 1.114 441 M CB -0.724 31.875 32.600 -0.001 0.000 1.361 441 M HN 0.278 nan 8.290 nan 0.000 0.408 442 I N 0.494 121.066 120.570 0.004 0.000 2.185 442 I HA -0.370 3.800 4.170 -0.001 0.000 0.246 442 I C 1.315 177.439 176.117 0.012 0.000 1.088 442 I CA 2.137 63.441 61.300 0.007 0.000 1.347 442 I CB -0.589 37.417 38.000 0.010 0.000 1.041 442 I HN 0.237 nan 8.210 nan 0.000 0.415 443 D N 0.836 121.244 120.400 0.013 0.000 2.084 443 D HA -0.205 4.434 4.640 -0.001 0.000 0.196 443 D C 2.033 178.343 176.300 0.017 0.000 0.985 443 D CA 1.181 55.192 54.000 0.017 0.000 0.826 443 D CB -0.604 40.205 40.800 0.016 0.000 0.978 443 D HN 0.387 nan 8.370 nan 0.000 0.456 444 N N 0.713 119.421 118.700 0.014 0.000 2.037 444 N HA -0.173 4.567 4.740 -0.001 0.000 0.196 444 N C 1.910 177.429 175.510 0.015 0.000 1.034 444 N CA 0.996 54.054 53.050 0.013 0.000 0.861 444 N CB -0.388 38.105 38.487 0.009 0.000 1.039 444 N HN 0.184 nan 8.380 nan 0.000 0.427 445 L N 0.710 121.940 121.223 0.011 0.000 2.017 445 L HA -0.090 4.250 4.340 -0.001 0.000 0.208 445 L C 2.367 179.252 176.870 0.025 0.000 1.073 445 L CA 1.642 56.489 54.840 0.011 0.000 0.745 445 L CB -1.165 40.894 42.059 0.001 0.000 0.894 445 L HN 0.111 nan 8.230 nan 0.000 0.432 446 M N 0.203 119.820 119.600 0.027 0.000 2.147 446 M HA -0.277 4.202 4.480 -0.001 0.000 0.253 446 M C 2.430 178.758 176.300 0.047 0.000 1.075 446 M CA 2.745 58.068 55.300 0.038 0.000 1.085 446 M CB -1.545 31.075 32.600 0.033 0.000 1.305 446 M HN 0.725 nan 8.290 nan 0.000 0.409 447 T N -1.942 112.636 114.554 0.040 0.000 2.674 447 T HA -0.168 4.181 4.350 -0.001 0.000 0.265 447 T C 1.823 176.557 174.700 0.056 0.000 1.039 447 T CA 1.619 63.746 62.100 0.044 0.000 1.150 447 T CB -0.539 68.350 68.868 0.034 0.000 0.864 447 T HN 0.440 nan 8.240 nan 0.000 0.427 448 K N 1.246 121.676 120.400 0.050 0.000 2.127 448 K HA -0.073 4.246 4.320 -0.001 0.000 0.208 448 K C 2.402 179.065 176.600 0.104 0.000 1.047 448 K CA 1.401 57.723 56.287 0.059 0.000 0.927 448 K CB -0.702 31.815 32.500 0.029 0.000 0.716 448 K HN 0.395 nan 8.250 nan 0.000 0.450 449 L N 0.982 122.267 121.223 0.103 0.000 1.976 449 L HA -0.197 4.143 4.340 -0.001 0.000 0.209 449 L C 2.613 179.588 176.870 0.174 0.000 1.071 449 L CA 1.349 56.287 54.840 0.164 0.000 0.746 449 L CB -0.574 41.556 42.059 0.118 0.000 0.890 449 L HN 0.124 nan 8.230 nan 0.000 0.432 450 K N 0.678 121.141 120.400 0.106 0.000 2.152 450 K HA -0.126 4.193 4.320 -0.001 0.000 0.206 450 K C 1.777 178.419 176.600 0.069 0.000 1.048 450 K CA 1.488 57.819 56.287 0.074 0.000 0.933 450 K CB -0.903 31.631 32.500 0.055 0.000 0.721 450 K HN 0.315 nan 8.250 nan 0.000 0.447 451 G N 0.270 109.126 108.800 0.093 0.000 2.575 451 G HA2 -0.278 3.681 3.960 -0.001 0.000 0.215 451 G HA3 -0.278 3.681 3.960 -0.001 0.000 0.215 451 G C 1.366 176.344 174.900 0.130 0.000 1.262 451 G CA 0.760 45.916 45.100 0.094 0.000 0.807 451 G HN 0.339 nan 8.290 nan 0.000 0.567 452 F N 2.719 122.676 119.950 0.012 0.000 2.064 452 F HA -0.331 4.196 4.527 -0.001 0.000 0.293 452 F C 2.758 178.560 175.800 0.004 0.000 1.086 452 F CA 1.739 59.745 58.000 0.010 0.000 1.242 452 F CB -0.954 38.056 39.000 0.015 0.000 0.970 452 F HN 0.277 nan 8.300 nan 0.000 0.494 453 A N -0.293 122.431 122.820 -0.160 0.000 1.837 453 A HA -0.294 4.026 4.320 -0.001 0.000 0.216 453 A C 2.262 179.730 177.584 -0.193 0.000 1.210 453 A CA 2.433 54.321 52.037 -0.249 0.000 0.632 453 A CB -1.116 17.838 19.000 -0.077 0.000 0.843 453 A HN 0.395 nan 8.150 nan 0.000 0.448 454 K N -0.061 120.288 120.400 -0.085 0.000 2.057 454 K HA -0.099 4.220 4.320 -0.001 0.000 0.207 454 K C 2.432 179.001 176.600 -0.053 0.000 1.049 454 K CA 1.519 57.772 56.287 -0.056 0.000 0.931 454 K CB -0.312 32.180 32.500 -0.014 0.000 0.714 454 K HN 0.603 nan 8.250 nan 0.000 0.440 455 S N -0.725 114.954 115.700 -0.034 0.000 2.419 455 S HA -0.150 4.319 4.470 -0.001 0.000 0.235 455 S C 1.755 176.325 174.600 -0.049 0.000 1.019 455 S CA 1.891 60.082 58.200 -0.015 0.000 0.982 455 S CB -0.392 62.829 63.200 0.036 0.000 0.789 455 S HN 0.477 nan 8.310 nan 0.000 0.490 456 T N -4.825 109.653 114.554 -0.128 0.000 3.016 456 T HA 0.515 4.864 4.350 -0.001 0.000 0.271 456 T C 1.502 176.089 174.700 -0.190 0.000 0.968 456 T CA 0.826 62.833 62.100 -0.155 0.000 0.891 456 T CB 0.062 68.816 68.868 -0.190 0.000 1.149 456 T HN 1.228 nan 8.240 nan 0.000 0.524 457 G N 1.221 109.901 108.800 -0.199 0.000 2.184 457 G HA2 -0.258 3.702 3.960 -0.001 0.000 0.264 457 G HA3 -0.258 3.702 3.960 -0.001 0.000 0.264 457 G C 0.306 175.074 174.900 -0.220 0.000 0.975 457 G CA 0.213 45.204 45.100 -0.181 0.000 0.642 457 G HN 1.059 nan 8.290 nan 0.000 0.536 458 V N 0.672 120.409 119.914 -0.296 0.000 2.872 458 V HA 0.394 4.513 4.120 -0.001 0.000 0.307 458 V C 1.103 177.047 176.094 -0.249 0.000 1.072 458 V CA 0.174 62.298 62.300 -0.294 0.000 1.148 458 V CB 1.410 32.983 31.823 -0.416 0.000 0.954 458 V HN 0.537 nan 8.190 nan 0.000 0.490 459 V N 7.790 127.579 119.914 -0.207 0.000 2.427 459 V HA 0.227 4.346 4.120 -0.001 0.000 0.268 459 V C 0.099 176.151 176.094 -0.069 0.000 1.046 459 V CA -0.156 62.044 62.300 -0.166 0.000 0.970 459 V CB 0.898 32.567 31.823 -0.256 0.000 1.001 459 V HN 0.656 nan 8.190 nan 0.000 0.476 460 L N 7.507 128.718 121.223 -0.021 0.000 2.313 460 L HA 0.462 4.801 4.340 -0.001 0.000 0.273 460 L C -0.125 176.818 176.870 0.121 0.000 1.028 460 L CA 0.108 54.987 54.840 0.065 0.000 0.871 460 L CB 1.352 43.453 42.059 0.071 0.000 1.242 460 L HN 0.494 nan 8.230 nan 0.000 0.434 461 V N 4.573 124.595 119.914 0.180 0.000 2.614 461 V HA 0.412 4.531 4.120 -0.001 0.000 0.291 461 V C 0.096 176.291 176.094 0.169 0.000 1.049 461 V CA -0.548 61.887 62.300 0.225 0.000 1.038 461 V CB 1.255 33.261 31.823 0.304 0.000 0.980 461 V HN 0.394 nan 8.190 nan 0.000 0.481 462 V N 5.713 125.714 119.914 0.145 0.000 2.569 462 V HA 0.425 4.545 4.120 -0.001 0.000 0.301 462 V C -0.157 175.995 176.094 0.097 0.000 1.044 462 V CA -0.424 61.941 62.300 0.109 0.000 0.874 462 V CB 1.929 33.808 31.823 0.093 0.000 1.002 462 V HN 0.671 nan 8.190 nan 0.000 0.424 463 I N 3.715 124.334 120.570 0.082 0.000 2.612 463 I HA 0.496 4.666 4.170 -0.001 0.000 0.295 463 I C 0.036 176.171 176.117 0.030 0.000 1.011 463 I CA 0.118 61.451 61.300 0.056 0.000 1.326 463 I CB 1.534 39.555 38.000 0.036 0.000 1.427 463 I HN 0.829 nan 8.210 nan 0.000 0.537 464 C N 6.102 125.414 119.300 0.019 0.000 3.046 464 C HA 0.423 4.882 4.460 -0.001 0.000 0.388 464 C C -0.708 174.330 174.990 0.080 0.000 1.041 464 C CA -0.552 58.479 59.018 0.022 0.000 1.241 464 C CB 0.728 28.496 27.740 0.047 0.000 1.638 464 C HN 0.900 nan 8.230 nan 0.000 0.539 465 H N 3.179 122.173 119.070 -0.127 0.000 2.483 465 H HA 0.551 5.107 4.556 -0.001 0.000 0.338 465 H C -0.307 174.958 175.328 -0.104 0.000 1.152 465 H CA -0.677 55.265 56.048 -0.177 0.000 1.264 465 H CB 1.329 30.946 29.762 -0.242 0.000 1.510 465 H HN 0.557 nan 8.280 nan 0.000 0.530 466 L N 2.814 123.997 121.223 -0.067 0.000 2.307 466 L HA 0.215 4.555 4.340 -0.001 0.000 0.282 466 L C 0.039 176.850 176.870 -0.097 0.000 1.051 466 L CA -0.977 53.805 54.840 -0.097 0.000 0.804 466 L CB 1.348 43.286 42.059 -0.202 0.000 1.197 466 L HN 0.589 nan 8.230 nan 0.000 0.431 467 K N 2.018 122.408 120.400 -0.016 0.000 2.344 467 K HA 0.095 4.415 4.320 -0.001 0.000 0.260 467 K C -0.336 176.282 176.600 0.030 0.000 0.988 467 K CA -0.124 56.167 56.287 0.006 0.000 0.909 467 K CB 0.309 32.825 32.500 0.028 0.000 0.968 467 K HN 0.420 nan 8.250 nan 0.000 0.505 468 N N 1.558 120.285 118.700 0.046 0.000 2.443 468 N HA 0.128 4.868 4.740 -0.001 0.000 0.269 468 N C -1.850 173.715 175.510 0.093 0.000 0.985 468 N CA -1.507 51.605 53.050 0.104 0.000 0.921 468 N CB 1.371 39.898 38.487 0.065 0.000 1.195 468 N HN 0.473 nan 8.380 nan 0.000 0.492 469 P HA -0.237 nan 4.420 nan 0.000 0.221 469 P C -0.024 177.289 177.300 0.023 0.000 1.107 469 P CA 1.647 64.772 63.100 0.041 0.000 0.986 469 P CB 0.270 31.966 31.700 -0.007 0.000 0.774 470 D N -5.185 115.226 120.400 0.018 0.000 2.439 470 D HA -0.132 4.508 4.640 -0.001 0.000 0.172 470 D C 0.074 176.373 176.300 -0.001 0.000 1.026 470 D CA 1.505 55.510 54.000 0.008 0.000 1.043 470 D CB -1.089 39.716 40.800 0.009 0.000 1.098 470 D HN 0.153 nan 8.370 nan 0.000 0.467 471 K N 0.487 120.881 120.400 -0.009 0.000 2.334 471 K HA 0.570 4.889 4.320 -0.001 0.000 0.265 471 K C 1.222 177.805 176.600 -0.028 0.000 1.039 471 K CA 0.377 56.654 56.287 -0.018 0.000 0.920 471 K CB 0.456 32.943 32.500 -0.022 0.000 1.160 471 K HN 0.161 nan 8.250 nan 0.000 0.451 472 G N 4.962 113.749 108.800 -0.021 0.000 3.282 472 G HA2 -0.437 3.522 3.960 -0.001 0.000 0.367 472 G HA3 -0.437 3.522 3.960 -0.001 0.000 0.367 472 G C -0.198 174.684 174.900 -0.031 0.000 1.377 472 G CA 1.477 46.563 45.100 -0.023 0.000 1.254 472 G HN 0.695 nan 8.290 nan 0.000 0.717 473 K N 1.266 121.638 120.400 -0.046 0.000 2.234 473 K HA 0.773 5.093 4.320 -0.001 0.000 0.282 473 K C 0.535 177.083 176.600 -0.087 0.000 1.039 473 K CA 0.004 56.257 56.287 -0.057 0.000 0.928 473 K CB 1.702 34.166 32.500 -0.060 0.000 1.039 473 K HN 0.808 nan 8.250 nan 0.000 0.470 474 A N 2.834 125.614 122.820 -0.066 0.000 2.495 474 A HA 0.159 4.478 4.320 -0.001 0.000 0.260 474 A C 0.551 178.050 177.584 -0.142 0.000 1.608 474 A CA -0.006 51.997 52.037 -0.057 0.000 0.834 474 A CB -0.380 18.625 19.000 0.009 0.000 1.526 474 A HN 0.980 nan 8.150 nan 0.000 0.578 475 H N -0.754 118.285 119.070 -0.050 0.000 2.451 475 H HA 0.034 4.590 4.556 -0.001 0.000 0.294 475 H C 1.724 177.010 175.328 -0.070 0.000 1.028 475 H CA 1.204 57.212 56.048 -0.066 0.000 1.349 475 H CB 0.305 30.018 29.762 -0.081 0.000 1.444 475 H HN 0.672 nan 8.280 nan 0.000 0.538 476 E N 0.658 120.884 120.200 0.044 0.000 2.427 476 E HA -0.119 4.230 4.350 -0.001 0.000 0.196 476 E C 0.895 177.484 176.600 -0.019 0.000 1.028 476 E CA 0.505 56.905 56.400 -0.001 0.000 0.864 476 E CB -0.022 29.675 29.700 -0.005 0.000 0.813 476 E HN 0.512 nan 8.360 nan 0.000 0.514 477 E N 0.304 120.486 120.200 -0.029 0.000 2.416 477 E HA 0.126 4.475 4.350 -0.001 0.000 0.189 477 E C 0.824 177.391 176.600 -0.056 0.000 1.091 477 E CA 0.420 56.797 56.400 -0.039 0.000 0.889 477 E CB -0.387 29.288 29.700 -0.043 0.000 1.015 477 E HN 0.413 nan 8.360 nan 0.000 0.479 478 G N 1.841 110.604 108.800 -0.062 0.000 2.550 478 G HA2 -0.446 3.513 3.960 -0.001 0.000 0.233 478 G HA3 -0.446 3.513 3.960 -0.001 0.000 0.233 478 G C 0.496 175.329 174.900 -0.111 0.000 1.170 478 G CA 0.157 45.212 45.100 -0.075 0.000 0.693 478 G HN 0.441 nan 8.290 nan 0.000 0.512 479 R N 2.153 122.573 120.500 -0.134 0.000 3.568 479 R HA -0.059 4.280 4.340 -0.001 0.000 0.179 479 R C -2.080 174.116 176.300 -0.173 0.000 0.664 479 R CA 0.758 56.759 56.100 -0.165 0.000 0.918 479 R CB -0.314 29.847 30.300 -0.232 0.000 1.034 479 R HN 0.325 nan 8.270 nan 0.000 0.320 480 P HA -0.012 nan 4.420 nan 0.000 0.271 480 P C -0.701 176.541 177.300 -0.097 0.000 1.233 480 P CA -0.322 62.717 63.100 -0.102 0.000 0.789 480 P CB 0.694 32.348 31.700 -0.077 0.000 0.951 481 V N -0.501 119.371 119.914 -0.071 0.000 2.680 481 V HA 0.786 4.906 4.120 -0.001 0.000 0.309 481 V C -0.521 175.552 176.094 -0.035 0.000 1.052 481 V CA -0.411 61.864 62.300 -0.041 0.000 0.908 481 V CB 1.823 33.641 31.823 -0.009 0.000 1.001 481 V HN 0.711 nan 8.190 nan 0.000 0.431 482 S N 4.555 120.242 115.700 -0.021 0.000 2.715 482 S HA 0.660 5.130 4.470 -0.001 0.000 0.307 482 S C 0.494 175.090 174.600 -0.007 0.000 1.119 482 S CA -0.612 57.578 58.200 -0.017 0.000 0.937 482 S CB 1.470 64.661 63.200 -0.015 0.000 1.150 482 S HN 0.723 nan 8.310 nan 0.000 0.521 483 I N 1.208 121.776 120.570 -0.004 0.000 2.546 483 I HA -0.041 4.129 4.170 -0.001 0.000 0.255 483 I C 2.848 178.969 176.117 0.006 0.000 1.163 483 I CA 1.509 62.810 61.300 0.002 0.000 1.457 483 I CB -1.539 36.464 38.000 0.004 0.000 1.092 483 I HN 0.984 nan 8.210 nan 0.000 0.434 484 T N -0.188 114.369 114.554 0.004 0.000 2.708 484 T HA -0.273 4.077 4.350 -0.001 0.000 0.266 484 T C 1.769 176.475 174.700 0.010 0.000 1.037 484 T CA 1.960 64.064 62.100 0.006 0.000 1.146 484 T CB -0.556 68.313 68.868 0.002 0.000 0.865 484 T HN 0.252 nan 8.240 nan 0.000 0.435 485 D N 0.546 120.951 120.400 0.009 0.000 2.362 485 D HA -0.013 4.627 4.640 -0.001 0.000 0.215 485 D C 0.740 177.059 176.300 0.031 0.000 0.978 485 D CA 0.217 54.229 54.000 0.020 0.000 0.921 485 D CB -0.477 40.332 40.800 0.015 0.000 0.895 485 D HN 0.380 nan 8.370 nan 0.000 0.494 486 L N 0.928 122.163 121.223 0.021 0.000 2.483 486 L HA 0.042 4.381 4.340 -0.001 0.000 0.276 486 L C 1.197 178.081 176.870 0.025 0.000 1.213 486 L CA 0.287 55.140 54.840 0.022 0.000 0.843 486 L CB 0.610 42.680 42.059 0.017 0.000 1.107 486 L HN 0.044 nan 8.230 nan 0.000 0.487 487 R N 1.234 121.749 120.500 0.026 0.000 2.828 487 R HA 0.334 4.674 4.340 -0.001 0.000 0.270 487 R C 0.473 176.788 176.300 0.025 0.000 1.244 487 R CA 0.608 56.724 56.100 0.027 0.000 1.143 487 R CB 0.172 30.492 30.300 0.033 0.000 1.128 487 R HN 0.945 nan 8.270 nan 0.000 0.587 488 G N -0.425 108.389 108.800 0.024 0.000 2.645 488 G HA2 -0.263 3.696 3.960 -0.001 0.000 0.239 488 G HA3 -0.263 3.696 3.960 -0.001 0.000 0.239 488 G C -0.140 174.770 174.900 0.018 0.000 1.331 488 G CA 0.004 45.116 45.100 0.021 0.000 0.890 488 G HN 0.495 nan 8.290 nan 0.000 0.572 489 S N -0.089 115.621 115.700 0.017 0.000 3.031 489 S HA 0.533 5.003 4.470 -0.001 0.000 0.253 489 S C 1.179 175.788 174.600 0.015 0.000 0.996 489 S CA 1.240 59.449 58.200 0.015 0.000 1.098 489 S CB 0.165 63.373 63.200 0.013 0.000 1.042 489 S HN 2.445 nan 8.310 nan 0.000 0.593 490 G N 0.935 109.745 108.800 0.017 0.000 3.006 490 G HA2 -0.134 3.826 3.960 -0.001 0.000 0.195 490 G HA3 -0.134 3.826 3.960 -0.001 0.000 0.195 490 G C 1.124 176.036 174.900 0.021 0.000 1.034 490 G CA 0.227 45.338 45.100 0.018 0.000 0.807 490 G HN 0.495 nan 8.290 nan 0.000 0.469 491 A N 0.861 123.694 122.820 0.021 0.000 1.865 491 A HA 0.215 4.534 4.320 -0.001 0.000 0.217 491 A C 2.396 179.997 177.584 0.029 0.000 1.191 491 A CA 2.656 54.708 52.037 0.025 0.000 0.623 491 A CB -0.512 18.503 19.000 0.025 0.000 0.826 491 A HN 1.003 nan 8.150 nan 0.000 0.444 492 L N 0.147 121.388 121.223 0.029 0.000 2.044 492 L HA -0.083 4.257 4.340 -0.001 0.000 0.205 492 L C 2.337 179.226 176.870 0.031 0.000 1.075 492 L CA 1.769 56.629 54.840 0.033 0.000 0.747 492 L CB -1.247 40.832 42.059 0.034 0.000 0.903 492 L HN 0.335 nan 8.230 nan 0.000 0.435 493 R N 0.122 120.638 120.500 0.026 0.000 2.276 493 R HA -0.224 4.115 4.340 -0.001 0.000 0.243 493 R C 1.873 178.188 176.300 0.024 0.000 1.161 493 R CA 1.555 57.669 56.100 0.023 0.000 1.007 493 R CB -0.541 29.771 30.300 0.019 0.000 0.867 493 R HN 0.609 nan 8.270 nan 0.000 0.472 494 Q N -0.147 119.669 119.800 0.027 0.000 2.558 494 Q HA 0.085 4.424 4.340 -0.001 0.000 0.186 494 Q C 1.704 177.725 176.000 0.034 0.000 0.894 494 Q CA -0.377 55.443 55.803 0.028 0.000 0.830 494 Q CB 0.221 28.975 28.738 0.026 0.000 1.107 494 Q HN 0.012 nan 8.270 nan 0.000 0.620 495 L N 1.448 122.692 121.223 0.035 0.000 2.151 495 L HA -0.144 4.195 4.340 -0.001 0.000 0.215 495 L C 0.787 177.684 176.870 0.045 0.000 1.084 495 L CA 1.299 56.163 54.840 0.039 0.000 0.764 495 L CB -1.034 41.049 42.059 0.041 0.000 0.891 495 L HN 0.075 nan 8.230 nan 0.000 0.435 496 S N 0.051 115.779 115.700 0.047 0.000 2.564 496 S HA 0.053 4.523 4.470 -0.001 0.000 0.278 496 S C 0.829 175.464 174.600 0.059 0.000 1.333 496 S CA -0.625 57.608 58.200 0.055 0.000 1.048 496 S CB 1.067 64.301 63.200 0.055 0.000 0.900 496 S HN 0.202 nan 8.310 nan 0.000 0.505 497 D N 1.591 122.033 120.400 0.069 0.000 2.214 497 D HA 0.053 4.692 4.640 -0.001 0.000 0.217 497 D C 0.360 176.717 176.300 0.095 0.000 0.973 497 D CA 1.127 55.175 54.000 0.080 0.000 0.880 497 D CB -0.173 40.674 40.800 0.077 0.000 1.031 497 D HN 0.476 nan 8.370 nan 0.000 0.468 498 T N 1.385 116.004 114.554 0.108 0.000 2.823 498 T HA 0.443 4.792 4.350 -0.001 0.000 0.279 498 T C -0.216 174.525 174.700 0.069 0.000 0.998 498 T CA -0.533 61.629 62.100 0.104 0.000 0.994 498 T CB 1.895 70.855 68.868 0.153 0.000 0.960 498 T HN -0.183 nan 8.240 nan 0.000 0.448 499 I N 3.916 124.505 120.570 0.032 0.000 2.330 499 I HA 0.413 4.583 4.170 -0.001 0.000 0.286 499 I C -0.210 175.876 176.117 -0.051 0.000 1.025 499 I CA -1.557 59.744 61.300 0.001 0.000 1.197 499 I CB 0.513 38.513 38.000 0.001 0.000 1.358 499 I HN 0.586 nan 8.210 nan 0.000 0.467 500 I N 5.634 126.147 120.570 -0.095 0.000 2.336 500 I HA 0.628 4.797 4.170 -0.001 0.000 0.292 500 I C 0.345 176.344 176.117 -0.198 0.000 0.991 500 I CA -0.446 60.739 61.300 -0.192 0.000 1.227 500 I CB 1.539 39.342 38.000 -0.327 0.000 1.366 500 I HN 0.596 nan 8.210 nan 0.000 0.466 501 A N 7.324 130.025 122.820 -0.199 0.000 2.340 501 A HA 0.938 5.257 4.320 -0.001 0.000 0.331 501 A C -1.034 176.400 177.584 -0.250 0.000 1.140 501 A CA -0.501 51.425 52.037 -0.186 0.000 0.801 501 A CB 1.000 19.924 19.000 -0.126 0.000 1.234 501 A HN 0.571 nan 8.150 nan 0.000 0.469 502 L N 1.492 122.568 121.223 -0.246 0.000 2.381 502 L HA 0.542 4.881 4.340 -0.001 0.000 0.274 502 L C -0.170 176.585 176.870 -0.192 0.000 0.988 502 L CA -0.196 54.482 54.840 -0.270 0.000 0.824 502 L CB 1.699 43.556 42.059 -0.337 0.000 1.263 502 L HN 0.737 nan 8.230 nan 0.000 0.410 503 E N 2.915 123.002 120.200 -0.189 0.000 2.207 503 E HA 0.726 5.075 4.350 -0.001 0.000 0.270 503 E C -0.898 175.618 176.600 -0.139 0.000 0.927 503 E CA -1.046 55.269 56.400 -0.140 0.000 0.799 503 E CB 3.026 32.639 29.700 -0.145 0.000 1.172 503 E HN 0.459 nan 8.360 nan 0.000 0.404 504 R N 2.510 122.951 120.500 -0.099 0.000 2.605 504 R HA 0.091 4.430 4.340 -0.001 0.000 0.291 504 R C -1.273 174.991 176.300 -0.059 0.000 1.226 504 R CA -0.256 55.793 56.100 -0.084 0.000 0.981 504 R CB 0.902 31.147 30.300 -0.092 0.000 1.215 504 R HN 0.716 nan 8.270 nan 0.000 0.428 505 N N 4.612 123.282 118.700 -0.050 0.000 2.968 505 N HA 0.001 4.740 4.740 -0.001 0.000 0.271 505 N C -0.212 175.286 175.510 -0.021 0.000 1.174 505 N CA -0.193 52.836 53.050 -0.035 0.000 1.096 505 N CB 0.779 39.248 38.487 -0.030 0.000 1.403 505 N HN 0.668 nan 8.380 nan 0.000 0.522 506 Q N 0.935 120.721 119.800 -0.023 0.000 2.557 506 Q HA -0.139 4.200 4.340 -0.001 0.000 0.217 506 Q C -0.246 175.751 176.000 -0.005 0.000 0.978 506 Q CA 0.638 56.432 55.803 -0.016 0.000 0.950 506 Q CB -0.161 28.561 28.738 -0.027 0.000 0.991 506 Q HN 0.661 nan 8.270 nan 0.000 0.533 507 Q N -0.512 119.285 119.800 -0.004 0.000 2.907 507 Q HA 0.626 4.965 4.340 -0.001 0.000 0.262 507 Q C -0.187 175.815 176.000 0.004 0.000 0.997 507 Q CA -0.438 55.366 55.803 0.002 0.000 0.797 507 Q CB 1.312 30.050 28.738 -0.001 0.000 1.228 507 Q HN 0.116 nan 8.270 nan 0.000 0.466 508 G N 0.369 109.176 108.800 0.011 0.000 2.726 508 G HA2 0.127 4.087 3.960 -0.001 0.000 0.198 508 G HA3 0.127 4.087 3.960 -0.001 0.000 0.198 508 G C -0.589 174.327 174.900 0.026 0.000 1.195 508 G CA -0.335 44.774 45.100 0.016 0.000 0.951 508 G HN 0.181 nan 8.290 nan 0.000 0.532 509 D N 0.028 120.449 120.400 0.035 0.000 2.110 509 D HA 0.080 4.719 4.640 -0.001 0.000 0.202 509 D C 0.734 177.068 176.300 0.056 0.000 0.975 509 D CA 1.270 55.299 54.000 0.048 0.000 0.839 509 D CB 0.032 40.870 40.800 0.064 0.000 0.996 509 D HN 0.103 nan 8.370 nan 0.000 0.464 510 M N 0.227 119.862 119.600 0.059 0.000 2.065 510 M HA 0.276 4.756 4.480 -0.001 0.000 0.308 510 M C -2.193 174.132 176.300 0.042 0.000 0.939 510 M CA -1.597 53.740 55.300 0.061 0.000 0.890 510 M CB 2.331 34.980 32.600 0.082 0.000 1.383 510 M HN -0.279 nan 8.290 nan 0.000 0.381 511 P HA -0.019 nan 4.420 nan 0.000 0.225 511 P C 0.513 177.838 177.300 0.042 0.000 1.148 511 P CA 1.059 64.177 63.100 0.031 0.000 0.779 511 P CB 0.280 32.000 31.700 0.034 0.000 0.780 512 N N -1.249 117.492 118.700 0.069 0.000 2.236 512 N HA 0.060 4.799 4.740 -0.001 0.000 0.196 512 N C 0.193 175.760 175.510 0.094 0.000 1.114 512 N CA -0.093 53.022 53.050 0.108 0.000 0.859 512 N CB 0.035 38.614 38.487 0.153 0.000 0.982 512 N HN 0.145 nan 8.380 nan 0.000 0.493 513 L N 1.748 123.006 121.223 0.059 0.000 2.319 513 L HA 0.274 4.614 4.340 -0.001 0.000 0.280 513 L C -0.280 176.586 176.870 -0.005 0.000 1.099 513 L CA -0.349 54.516 54.840 0.043 0.000 0.828 513 L CB 0.943 43.012 42.059 0.017 0.000 1.150 513 L HN -0.166 nan 8.230 nan 0.000 0.442 514 V N 6.889 126.793 119.914 -0.015 0.000 2.588 514 V HA 0.525 4.644 4.120 -0.001 0.000 0.304 514 V C -0.837 175.118 176.094 -0.232 0.000 1.042 514 V CA -0.796 61.441 62.300 -0.105 0.000 0.877 514 V CB 1.807 33.579 31.823 -0.085 0.000 0.996 514 V HN 0.841 nan 8.190 nan 0.000 0.425 515 L N 6.469 127.471 121.223 -0.368 0.000 2.379 515 L HA 0.766 5.106 4.340 -0.001 0.000 0.269 515 L C -0.731 175.875 176.870 -0.439 0.000 1.084 515 L CA -0.246 54.214 54.840 -0.634 0.000 0.802 515 L CB 1.779 43.487 42.059 -0.586 0.000 1.175 515 L HN 0.671 nan 8.230 nan 0.000 0.448 516 V N 3.884 123.534 119.914 -0.442 0.000 2.443 516 V HA 0.510 4.629 4.120 -0.001 0.000 0.293 516 V C -0.160 175.784 176.094 -0.249 0.000 1.021 516 V CA -0.688 61.421 62.300 -0.319 0.000 0.848 516 V CB 1.187 32.842 31.823 -0.280 0.000 0.998 516 V HN 0.698 nan 8.190 nan 0.000 0.424 517 R N 3.925 124.298 120.500 -0.212 0.000 2.297 517 R HA 0.557 4.896 4.340 -0.001 0.000 0.308 517 R C -0.663 175.560 176.300 -0.129 0.000 1.029 517 R CA -0.685 55.328 56.100 -0.145 0.000 0.929 517 R CB 1.205 31.432 30.300 -0.122 0.000 1.046 517 R HN 0.536 nan 8.270 nan 0.000 0.461 518 I N 5.380 125.898 120.570 -0.087 0.000 2.322 518 I HA -0.005 4.164 4.170 -0.001 0.000 0.292 518 I C 0.785 176.877 176.117 -0.041 0.000 1.060 518 I CA 0.009 61.271 61.300 -0.063 0.000 1.309 518 I CB 1.217 39.200 38.000 -0.027 0.000 1.415 518 I HN 0.648 nan 8.210 nan 0.000 0.492 519 L N 6.266 127.464 121.223 -0.042 0.000 2.509 519 L HA 0.121 4.460 4.340 -0.001 0.000 0.222 519 L C 0.631 177.498 176.870 -0.006 0.000 1.123 519 L CA 0.676 55.500 54.840 -0.027 0.000 0.856 519 L CB -0.432 41.609 42.059 -0.031 0.000 0.985 519 L HN 0.714 nan 8.230 nan 0.000 0.456 520 K N -1.638 118.765 120.400 0.005 0.000 2.842 520 K HA 0.321 4.640 4.320 -0.001 0.000 0.291 520 K C -1.765 174.863 176.600 0.046 0.000 1.089 520 K CA -0.589 55.712 56.287 0.024 0.000 0.883 520 K CB 0.437 32.953 32.500 0.025 0.000 1.423 520 K HN -0.246 nan 8.250 nan 0.000 0.368 521 C N 4.979 124.317 119.300 0.064 0.000 3.149 521 C HA 0.397 4.857 4.460 -0.001 0.000 0.383 521 C C 1.103 176.165 174.990 0.119 0.000 1.018 521 C CA -0.567 58.513 59.018 0.103 0.000 1.293 521 C CB 0.328 28.136 27.740 0.112 0.000 1.640 521 C HN 1.011 nan 8.230 nan 0.000 0.546 522 R N 1.359 121.938 120.500 0.132 0.000 2.082 522 R HA -0.122 4.217 4.340 -0.001 0.000 0.234 522 R C 1.741 178.123 176.300 0.137 0.000 1.136 522 R CA 2.251 58.421 56.100 0.116 0.000 0.935 522 R CB -0.454 29.919 30.300 0.121 0.000 0.842 522 R HN 0.812 nan 8.270 nan 0.000 0.430 523 F N 0.686 120.660 119.950 0.039 0.000 2.271 523 F HA -0.290 4.236 4.527 -0.001 0.000 0.302 523 F C 2.183 178.006 175.800 0.038 0.000 1.063 523 F CA 2.007 60.030 58.000 0.039 0.000 1.362 523 F CB 0.164 39.192 39.000 0.047 0.000 1.060 523 F HN 0.204 nan 8.300 nan 0.000 0.521 524 T N -4.903 109.663 114.554 0.020 0.000 3.098 524 T HA 0.294 4.644 4.350 -0.001 0.000 0.256 524 T C 1.649 176.336 174.700 -0.022 0.000 0.921 524 T CA 0.733 62.794 62.100 -0.066 0.000 0.916 524 T CB 0.067 68.954 68.868 0.033 0.000 1.246 524 T HN 0.447 nan 8.240 nan 0.000 0.511 525 G N 1.799 110.613 108.800 0.022 0.000 2.196 525 G HA2 -0.268 3.691 3.960 -0.001 0.000 0.268 525 G HA3 -0.268 3.691 3.960 -0.001 0.000 0.268 525 G C -0.130 174.779 174.900 0.016 0.000 0.975 525 G CA 0.543 45.652 45.100 0.016 0.000 0.648 525 G HN 0.847 nan 8.290 nan 0.000 0.538 526 D N 1.474 121.888 120.400 0.023 0.000 2.358 526 D HA 0.510 5.149 4.640 -0.001 0.000 0.258 526 D C 1.012 177.333 176.300 0.034 0.000 1.223 526 D CA 1.007 55.023 54.000 0.028 0.000 0.886 526 D CB 0.337 41.159 40.800 0.036 0.000 1.120 526 D HN 0.544 nan 8.370 nan 0.000 0.482 527 T N 0.341 114.909 114.554 0.023 0.000 2.742 527 T HA 0.875 5.225 4.350 -0.001 0.000 0.282 527 T C 0.442 175.147 174.700 0.009 0.000 1.025 527 T CA -0.152 61.957 62.100 0.015 0.000 1.020 527 T CB 1.465 70.339 68.868 0.010 0.000 1.317 527 T HN 0.725 nan 8.240 nan 0.000 0.538 528 G N 0.108 108.905 108.800 -0.005 0.000 2.409 528 G HA2 0.172 4.131 3.960 -0.001 0.000 0.421 528 G HA3 0.172 4.131 3.960 -0.001 0.000 0.421 528 G C -1.006 173.880 174.900 -0.024 0.000 1.259 528 G CA -0.605 44.489 45.100 -0.010 0.000 1.011 528 G HN 0.895 nan 8.290 nan 0.000 0.497 529 I N 1.481 122.040 120.570 -0.019 0.000 2.752 529 I HA 0.347 4.516 4.170 -0.001 0.000 0.289 529 I C 1.584 177.702 176.117 0.002 0.000 1.197 529 I CA 1.255 62.537 61.300 -0.030 0.000 1.432 529 I CB 0.762 38.774 38.000 0.020 0.000 1.359 529 I HN 1.408 nan 8.210 nan 0.000 0.571 530 A N 4.386 127.191 122.820 -0.024 0.000 2.600 530 A HA 0.648 4.967 4.320 -0.001 0.000 0.252 530 A C 0.632 178.254 177.584 0.063 0.000 1.200 530 A CA 0.473 52.521 52.037 0.019 0.000 0.981 530 A CB 0.192 19.187 19.000 -0.010 0.000 1.207 530 A HN 1.072 nan 8.150 nan 0.000 0.577 531 G N -1.376 107.472 108.800 0.080 0.000 2.359 531 G HA2 0.350 4.310 3.960 -0.001 0.000 0.303 531 G HA3 0.350 4.310 3.960 -0.001 0.000 0.303 531 G C -1.610 173.377 174.900 0.145 0.000 1.293 531 G CA -0.739 44.504 45.100 0.239 0.000 0.964 531 G HN 0.400 nan 8.290 nan 0.000 0.531 532 Y N -0.517 119.794 120.300 0.018 0.000 2.545 532 Y HA 0.847 5.397 4.550 -0.001 0.000 0.348 532 Y C 0.770 176.687 175.900 0.028 0.000 1.002 532 Y CA -1.016 57.072 58.100 -0.021 0.000 1.039 532 Y CB 2.132 40.549 38.460 -0.072 0.000 1.271 532 Y HN 0.740 nan 8.280 nan 0.000 0.467 533 M N 0.783 120.476 119.600 0.156 0.000 2.719 533 M HA 0.666 5.146 4.480 -0.001 0.000 0.291 533 M C -1.423 174.965 176.300 0.146 0.000 1.264 533 M CA -1.018 54.376 55.300 0.157 0.000 0.811 533 M CB 3.059 35.754 32.600 0.157 0.000 1.756 533 M HN 0.649 nan 8.290 nan 0.000 0.464 534 E N 0.363 120.660 120.200 0.160 0.000 2.292 534 E HA 0.349 4.699 4.350 -0.001 0.000 0.272 534 E C -2.187 174.542 176.600 0.214 0.000 0.881 534 E CA -0.627 55.868 56.400 0.160 0.000 0.754 534 E CB 2.196 31.972 29.700 0.128 0.000 1.201 534 E HN 0.619 nan 8.360 nan 0.000 0.425 535 Y N 3.938 124.277 120.300 0.065 0.000 2.402 535 Y HA 0.160 4.709 4.550 -0.001 0.000 0.333 535 Y C -0.100 175.844 175.900 0.074 0.000 1.076 535 Y CA -0.123 58.019 58.100 0.070 0.000 1.299 535 Y CB 0.686 39.172 38.460 0.044 0.000 1.197 535 Y HN 0.649 nan 8.280 nan 0.000 0.517 536 N N 6.046 124.480 118.700 -0.443 0.000 2.602 536 N HA 0.059 4.798 4.740 -0.001 0.000 0.238 536 N C 0.503 175.599 175.510 -0.690 0.000 1.084 536 N CA -0.338 52.480 53.050 -0.387 0.000 0.952 536 N CB 0.407 38.786 38.487 -0.179 0.000 1.244 536 N HN 0.691 nan 8.380 nan 0.000 0.512 537 K N 0.921 121.032 120.400 -0.481 0.000 2.366 537 K HA -0.208 4.111 4.320 -0.001 0.000 0.202 537 K C 1.075 177.586 176.600 -0.148 0.000 1.045 537 K CA 0.971 57.115 56.287 -0.238 0.000 0.934 537 K CB 0.212 32.737 32.500 0.042 0.000 0.746 537 K HN 0.650 nan 8.250 nan 0.000 0.470 538 E N -0.144 119.963 120.200 -0.154 0.000 2.099 538 E HA -0.067 4.283 4.350 -0.001 0.000 0.191 538 E C 1.951 178.523 176.600 -0.045 0.000 0.962 538 E CA 1.414 57.774 56.400 -0.066 0.000 0.826 538 E CB 0.368 30.037 29.700 -0.053 0.000 0.788 538 E HN 0.371 nan 8.360 nan 0.000 0.461 539 T N -3.651 110.868 114.554 -0.058 0.000 3.040 539 T HA 0.233 4.583 4.350 -0.001 0.000 0.252 539 T C 1.429 176.213 174.700 0.141 0.000 1.064 539 T CA 1.128 63.251 62.100 0.039 0.000 1.110 539 T CB 0.734 69.615 68.868 0.023 0.000 0.921 539 T HN 0.257 nan 8.240 nan 0.000 0.480 540 G N 0.132 108.919 108.800 -0.021 0.000 2.176 540 G HA2 -0.167 3.792 3.960 -0.001 0.000 0.232 540 G HA3 -0.167 3.792 3.960 -0.001 0.000 0.232 540 G C -0.217 174.685 174.900 0.004 0.000 0.986 540 G CA -0.311 44.762 45.100 -0.044 0.000 0.643 540 G HN 0.497 nan 8.290 nan 0.000 0.522 541 W N -0.164 121.055 121.300 -0.134 0.000 2.303 541 W HA 0.734 5.394 4.660 -0.001 0.000 0.334 541 W C 0.265 176.807 176.519 0.038 0.000 1.197 541 W CA -0.981 56.345 57.345 -0.032 0.000 1.262 541 W CB 0.588 30.014 29.460 -0.057 0.000 1.153 541 W HN -0.017 nan 8.180 nan 0.000 0.596 542 L N 3.138 124.568 121.223 0.345 0.000 2.328 542 L HA 0.222 4.561 4.340 -0.001 0.000 0.280 542 L C 0.065 177.127 176.870 0.319 0.000 1.111 542 L CA -0.812 54.222 54.840 0.323 0.000 0.909 542 L CB -0.865 41.363 42.059 0.282 0.000 1.277 542 L HN 0.376 nan 8.230 nan 0.000 0.433 543 E N 5.459 125.810 120.200 0.253 0.000 2.366 543 E HA 0.266 4.616 4.350 -0.001 0.000 0.266 543 E C -2.115 174.580 176.600 0.158 0.000 1.051 543 E CA -1.526 54.978 56.400 0.173 0.000 0.884 543 E CB 0.717 30.472 29.700 0.091 0.000 1.006 543 E HN 0.351 nan 8.360 nan 0.000 0.417 544 P HA 0.026 nan 4.420 nan 0.000 0.275 544 P C -0.968 176.404 177.300 0.121 0.000 1.228 544 P CA -0.232 62.949 63.100 0.136 0.000 0.786 544 P CB 1.374 33.143 31.700 0.116 0.000 0.927 545 S N 0.879 116.666 115.700 0.145 0.000 2.570 545 S HA 0.481 4.951 4.470 -0.001 0.000 0.286 545 S C -0.508 174.171 174.600 0.131 0.000 1.099 545 S CA -0.597 57.685 58.200 0.136 0.000 0.913 545 S CB 0.759 64.055 63.200 0.161 0.000 1.085 545 S HN 0.456 nan 8.310 nan 0.000 0.480 546 S N 2.875 118.629 115.700 0.090 0.000 2.533 546 S HA 0.581 5.051 4.470 -0.001 0.000 0.282 546 S C -0.804 173.832 174.600 0.060 0.000 1.304 546 S CA -0.206 58.022 58.200 0.047 0.000 1.063 546 S CB -0.039 63.163 63.200 0.003 0.000 0.881 546 S HN 0.770 nan 8.310 nan 0.000 0.493 547 Y N 0.471 120.661 120.300 -0.182 0.000 2.365 547 Y HA 0.370 4.919 4.550 -0.001 0.000 0.327 547 Y C -0.229 175.423 175.900 -0.414 0.000 1.356 547 Y CA -0.331 57.533 58.100 -0.394 0.000 1.331 547 Y CB 0.706 38.705 38.460 -0.768 0.000 1.298 547 Y HN 0.899 nan 8.280 nan 0.000 0.456 548 S N 1.138 116.640 115.700 -0.329 0.000 4.006 548 S HA 0.573 5.042 4.470 -0.001 0.000 0.292 548 S C 0.060 174.604 174.600 -0.093 0.000 1.069 548 S CA -0.216 57.940 58.200 -0.074 0.000 1.237 548 S CB 0.083 63.263 63.200 -0.033 0.000 1.706 548 S HN 1.104 nan 8.310 nan 0.000 0.569 549 G N 0.000 108.777 108.800 -0.039 0.000 5.446 549 G HA2 0.000 3.959 3.960 -0.001 0.000 0.244 549 G HA3 0.000 3.959 3.960 -0.001 0.000 0.244 549 G CA 0.000 45.090 45.100 -0.016 0.000 0.502 549 G HN 0.000 nan 8.290 nan 0.000 0.925