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 2hxu_1_A DATA FIRST_RESID 2 DATA SEQUENCE RTIIALETHD VRFPTSRELD GSDAMNPDPD YSAAYVVLRT DGAEDLAGYG DATA SEQUENCE LVFTIGRGND VQTAAVAALA EHVVGLSVDK VIADLGAFAR RLTNDSQLRW DATA SEQUENCE LGPEKGVMHM AIGAVINAAW DLAARAANKP LWRFIAELTP EQLVDTIDFR DATA SEQUENCE YLSDALTRDE ALAILRDAQP QRAARTATLI EQGYPAYTTS PGWLGYSDEK DATA SEQUENCE LVRLAKEAVA DGFRTIKLAV GANVQDDIRR CRLARAAIGP DIAMAVDANQ DATA SEQUENCE RWDVGPAIDW MRQLAEFDIA WIEEPTSPDD VLGHAAIRQG ITPVPVSTGE DATA SEQUENCE HTQNRVVFKQ LLQAGAVDLI QIDAARVGGV NENLAILLLA AKFGVRVFPH DATA SEQUENCE AGGVGLCELV QHLAMADFVA ITGKMEDRAI EFVDHLHQHF LDPVRIQHGR DATA SEQUENCE YLAPEVPGFS AEMHPASIAE FSYPDGRFWV EDLA VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.282 176.300 -0.030 0.000 0.893 2 R CA 0.000 56.084 56.100 -0.026 0.000 0.921 2 R CB 0.000 30.281 30.300 -0.032 0.000 0.687 3 T N 1.166 115.703 114.554 -0.028 0.000 2.906 3 T HA 0.586 4.936 4.350 0.000 0.000 0.295 3 T C 0.286 174.967 174.700 -0.032 0.000 1.061 3 T CA -0.660 61.424 62.100 -0.026 0.000 1.000 3 T CB 1.793 70.653 68.868 -0.015 0.000 1.103 3 T HN 0.358 nan 8.240 nan 0.000 0.486 4 I N 3.300 123.851 120.570 -0.031 0.000 2.421 4 I HA 0.190 4.360 4.170 0.000 0.000 0.291 4 I C 1.478 177.585 176.117 -0.016 0.000 1.089 4 I CA 0.007 61.287 61.300 -0.034 0.000 1.354 4 I CB 0.509 38.492 38.000 -0.028 0.000 1.413 4 I HN 0.668 nan 8.210 nan 0.000 0.513 5 I N 3.452 124.011 120.570 -0.019 0.000 3.860 5 I HA 0.548 4.718 4.170 0.000 0.000 0.319 5 I C 0.671 176.784 176.117 -0.006 0.000 1.279 5 I CA 0.039 61.333 61.300 -0.009 0.000 1.220 5 I CB 0.263 38.258 38.000 -0.008 0.000 1.027 5 I HN 0.514 nan 8.210 nan 0.000 0.428 6 A N 1.346 124.158 122.820 -0.012 0.000 2.599 6 A HA 0.677 4.997 4.320 0.000 0.000 0.294 6 A C -1.979 175.594 177.584 -0.019 0.000 1.055 6 A CA -0.507 51.524 52.037 -0.010 0.000 0.683 6 A CB 1.430 20.426 19.000 -0.007 0.000 1.278 6 A HN 0.194 nan 8.150 nan 0.000 0.412 7 L N 1.341 122.557 121.223 -0.013 0.000 2.353 7 L HA 0.566 4.906 4.340 0.000 0.000 0.270 7 L C -0.432 176.419 176.870 -0.033 0.000 1.003 7 L CA 0.177 55.005 54.840 -0.020 0.000 0.862 7 L CB 0.902 42.965 42.059 0.007 0.000 1.221 7 L HN 0.710 nan 8.230 nan 0.000 0.430 8 E N 2.562 122.736 120.200 -0.043 0.000 2.216 8 E HA 0.601 4.951 4.350 0.000 0.000 0.279 8 E C -0.489 176.059 176.600 -0.087 0.000 0.997 8 E CA -0.503 55.863 56.400 -0.056 0.000 0.817 8 E CB 1.282 30.999 29.700 0.028 0.000 1.096 8 E HN 0.632 nan 8.360 nan 0.000 0.393 9 T N 0.264 114.695 114.554 -0.204 0.000 2.893 9 T HA 0.590 4.940 4.350 0.000 0.000 0.291 9 T C -0.821 173.655 174.700 -0.372 0.000 1.028 9 T CA -1.001 61.011 62.100 -0.146 0.000 0.995 9 T CB 1.151 69.981 68.868 -0.064 0.000 1.051 9 T HN 0.441 nan 8.240 nan 0.000 0.470 10 H N 0.117 119.282 119.070 0.158 0.000 2.865 10 H HA 0.505 5.061 4.556 0.000 0.000 0.362 10 H C -1.362 174.049 175.328 0.137 0.000 1.114 10 H CA -0.684 55.463 56.048 0.165 0.000 1.208 10 H CB 1.666 31.573 29.762 0.241 0.000 1.727 10 H HN 0.658 nan 8.280 nan 0.000 0.534 11 D N 3.437 123.949 120.400 0.188 0.000 2.441 11 D HA 0.193 4.833 4.640 0.000 0.000 0.221 11 D C -0.817 175.543 176.300 0.101 0.000 1.156 11 D CA -0.232 53.836 54.000 0.113 0.000 0.896 11 D CB 0.345 41.194 40.800 0.082 0.000 1.028 11 D HN 0.219 nan 8.370 nan 0.000 0.509 12 V N 5.427 125.380 119.914 0.064 0.000 2.417 12 V HA 0.521 4.642 4.120 0.000 0.000 0.291 12 V C 0.369 176.370 176.094 -0.155 0.000 1.024 12 V CA -0.757 61.514 62.300 -0.048 0.000 0.861 12 V CB 1.488 33.244 31.823 -0.111 0.000 0.985 12 V HN 0.354 nan 8.190 nan 0.000 0.436 13 R N 3.989 124.396 120.500 -0.154 0.000 2.621 13 R HA 0.648 4.988 4.340 0.000 0.000 0.292 13 R C -1.718 174.577 176.300 -0.009 0.000 0.969 13 R CA -0.528 55.524 56.100 -0.079 0.000 0.887 13 R CB 2.273 32.461 30.300 -0.188 0.000 1.180 13 R HN 0.516 nan 8.270 nan 0.000 0.450 14 F N 2.967 123.016 119.950 0.165 0.000 2.436 14 F HA 0.342 4.869 4.527 0.000 0.000 0.340 14 F C -1.466 174.323 175.800 -0.018 0.000 1.113 14 F CA -2.642 55.261 58.000 -0.163 0.000 1.022 14 F CB 1.615 40.379 39.000 -0.392 0.000 1.128 14 F HN 0.317 nan 8.300 nan 0.000 0.466 15 P HA 0.010 nan 4.420 nan 0.000 0.238 15 P C 0.823 178.082 177.300 -0.069 0.000 1.714 15 P CA 0.194 63.286 63.100 -0.014 0.000 0.908 15 P CB -0.615 30.919 31.700 -0.276 0.000 1.893 16 T N -2.897 111.595 114.554 -0.103 0.000 2.929 16 T HA -0.149 4.201 4.350 0.000 0.000 0.271 16 T C 1.820 176.386 174.700 -0.222 0.000 1.085 16 T CA 1.448 63.385 62.100 -0.272 0.000 1.125 16 T CB -0.959 67.566 68.868 -0.572 0.000 0.874 16 T HN 0.296 nan 8.240 nan 0.000 0.494 17 S N 0.980 116.615 115.700 -0.107 0.000 2.474 17 S HA 0.006 4.476 4.470 0.000 0.000 0.235 17 S C 2.058 176.645 174.600 -0.023 0.000 0.997 17 S CA 0.301 58.460 58.200 -0.068 0.000 0.949 17 S CB -0.440 62.759 63.200 -0.003 0.000 0.766 17 S HN 0.305 nan 8.310 nan 0.000 0.517 18 R N 1.746 122.242 120.500 -0.007 0.000 2.105 18 R HA 0.049 4.390 4.340 0.000 0.000 0.239 18 R C 1.556 177.866 176.300 0.016 0.000 1.135 18 R CA 1.829 57.943 56.100 0.023 0.000 0.967 18 R CB -0.393 29.926 30.300 0.031 0.000 0.861 18 R HN 0.672 nan 8.270 nan 0.000 0.442 19 E N -0.673 119.525 120.200 -0.004 0.000 2.603 19 E HA 0.180 4.531 4.350 0.000 0.000 0.211 19 E C -0.319 176.335 176.600 0.090 0.000 0.995 19 E CA -0.056 56.371 56.400 0.045 0.000 0.990 19 E CB 0.507 30.234 29.700 0.045 0.000 1.036 19 E HN 0.111 nan 8.360 nan 0.000 0.475 20 L N 1.547 122.757 121.223 -0.023 0.000 3.865 20 L HA -0.206 4.134 4.340 0.000 0.000 0.408 20 L C -0.739 175.958 176.870 -0.289 0.000 1.209 20 L CA 0.328 55.106 54.840 -0.102 0.000 0.940 20 L CB -1.390 40.668 42.059 -0.003 0.000 1.971 20 L HN 0.232 nan 8.230 nan 0.000 0.899 21 D N 0.978 121.142 120.400 -0.394 0.000 2.425 21 D HA 0.369 5.009 4.640 0.000 0.000 0.247 21 D C 1.361 176.819 176.300 -1.402 0.000 1.147 21 D CA 1.339 54.849 54.000 -0.817 0.000 0.879 21 D CB 1.300 41.559 40.800 -0.902 0.000 1.179 21 D HN 0.407 nan 8.370 nan 0.000 0.456 22 G N 1.935 109.219 108.800 -2.526 0.000 2.176 22 G HA2 -0.296 3.664 3.960 0.000 0.000 0.253 22 G HA3 -0.296 3.664 3.960 0.000 0.000 0.253 22 G C 0.461 174.654 174.900 -1.179 0.000 0.979 22 G CA 0.436 44.098 45.100 -2.397 0.000 0.641 22 G HN 0.749 nan 8.290 nan 0.000 0.530 23 S N 0.552 115.812 115.700 -0.734 0.000 2.560 23 S HA 0.534 5.005 4.470 0.000 0.000 0.284 23 S C 0.001 174.602 174.600 0.002 0.000 1.327 23 S CA 0.721 58.770 58.200 -0.251 0.000 1.055 23 S CB 1.640 64.728 63.200 -0.187 0.000 0.868 23 S HN 1.246 nan 8.310 nan 0.000 0.506 24 D N 0.397 120.804 120.400 0.013 0.000 2.752 24 D HA 0.629 5.270 4.640 0.000 0.000 0.313 24 D C 0.760 177.060 176.300 -0.001 0.000 1.225 24 D CA -0.452 53.581 54.000 0.054 0.000 0.976 24 D CB 0.501 41.354 40.800 0.089 0.000 1.443 24 D HN 0.476 nan 8.370 nan 0.000 0.515 25 A N -0.503 122.298 122.820 -0.032 0.000 1.972 25 A HA -0.081 4.239 4.320 0.000 0.000 0.219 25 A C 1.996 179.542 177.584 -0.062 0.000 1.169 25 A CA 2.179 54.185 52.037 -0.052 0.000 0.635 25 A CB -0.771 18.159 19.000 -0.116 0.000 0.810 25 A HN 0.571 nan 8.150 nan 0.000 0.446 26 M N -0.269 119.283 119.600 -0.080 0.000 2.429 26 M HA 0.145 4.625 4.480 0.000 0.000 0.265 26 M C -0.570 175.707 176.300 -0.038 0.000 1.120 26 M CA 0.925 56.184 55.300 -0.069 0.000 1.173 26 M CB 0.195 32.739 32.600 -0.093 0.000 1.343 26 M HN 0.248 nan 8.290 nan 0.000 0.464 27 N N 1.566 120.248 118.700 -0.030 0.000 2.707 27 N HA 0.289 5.029 4.740 0.000 0.000 0.235 27 N C -2.379 173.111 175.510 -0.033 0.000 1.028 27 N CA -1.121 51.915 53.050 -0.024 0.000 0.906 27 N CB 0.911 39.393 38.487 -0.008 0.000 1.131 27 N HN 0.275 nan 8.380 nan 0.000 0.509 28 P HA -0.035 nan 4.420 nan 0.000 0.229 28 P C -0.339 176.931 177.300 -0.049 0.000 1.160 28 P CA 1.130 64.212 63.100 -0.030 0.000 0.777 28 P CB 0.363 32.056 31.700 -0.011 0.000 0.814 29 D N -1.757 118.612 120.400 -0.052 0.000 3.220 29 D HA 0.160 4.800 4.640 0.000 0.000 0.309 29 D C -2.739 173.525 176.300 -0.060 0.000 1.276 29 D CA -1.885 52.079 54.000 -0.060 0.000 0.736 29 D CB -0.334 40.451 40.800 -0.025 0.000 1.304 29 D HN 0.140 nan 8.370 nan 0.000 0.582 30 P HA 0.221 nan 4.420 nan 0.000 0.271 30 P C -0.579 176.707 177.300 -0.024 0.000 1.218 30 P CA 0.080 63.165 63.100 -0.026 0.000 0.780 30 P CB 1.284 33.010 31.700 0.044 0.000 0.901 31 D N 2.109 122.538 120.400 0.049 0.000 2.462 31 D HA 0.176 4.816 4.640 0.000 0.000 0.249 31 D C 0.050 176.485 176.300 0.225 0.000 1.117 31 D CA -0.384 53.676 54.000 0.100 0.000 0.900 31 D CB -0.038 40.830 40.800 0.112 0.000 1.039 31 D HN 0.359 nan 8.370 nan 0.000 0.516 32 Y N 1.215 121.568 120.300 0.089 0.000 2.865 32 Y HA -0.090 4.461 4.550 0.001 0.000 0.338 32 Y C 1.010 177.097 175.900 0.312 0.000 1.269 32 Y CA 0.229 58.494 58.100 0.275 0.000 1.585 32 Y CB 0.385 38.991 38.460 0.244 0.000 1.224 32 Y HN 0.100 nan 8.280 nan 0.000 0.554 33 S N 1.956 117.844 115.700 0.314 0.000 2.599 33 S HA 0.831 5.301 4.470 0.000 0.000 0.287 33 S C -0.919 173.821 174.600 0.233 0.000 1.105 33 S CA -0.894 57.423 58.200 0.195 0.000 0.899 33 S CB 2.031 65.217 63.200 -0.023 0.000 1.100 33 S HN 0.695 nan 8.310 nan 0.000 0.482 34 A N 0.979 123.927 122.820 0.212 0.000 2.359 34 A HA 0.791 5.111 4.320 0.000 0.000 0.303 34 A C -0.468 177.232 177.584 0.193 0.000 1.066 34 A CA -0.720 51.467 52.037 0.251 0.000 0.730 34 A CB 0.996 20.201 19.000 0.341 0.000 1.211 34 A HN 1.048 nan 8.150 nan 0.000 0.439 35 A N 2.308 125.229 122.820 0.169 0.000 2.798 35 A HA 0.513 4.833 4.320 0.000 0.000 0.316 35 A C -0.576 177.147 177.584 0.232 0.000 1.506 35 A CA -0.225 51.900 52.037 0.148 0.000 1.162 35 A CB -0.602 18.441 19.000 0.072 0.000 1.138 35 A HN 0.909 nan 8.150 nan 0.000 0.532 36 Y N 2.365 122.753 120.300 0.146 0.000 2.335 36 Y HA 0.425 4.976 4.550 0.001 0.000 0.331 36 Y C 0.008 176.027 175.900 0.199 0.000 1.094 36 Y CA 0.115 58.327 58.100 0.188 0.000 1.253 36 Y CB 1.040 39.627 38.460 0.212 0.000 1.203 36 Y HN 0.447 nan 8.280 nan 0.000 0.508 37 V N 6.911 126.678 119.914 -0.244 0.000 2.789 37 V HA 0.741 4.862 4.120 0.000 0.000 0.311 37 V C -1.745 174.122 176.094 -0.379 0.000 1.073 37 V CA -0.677 61.496 62.300 -0.211 0.000 0.921 37 V CB 2.146 33.920 31.823 -0.082 0.000 1.009 37 V HN 0.543 nan 8.190 nan 0.000 0.426 38 V N 7.137 126.898 119.914 -0.255 0.000 2.577 38 V HA 0.473 4.593 4.120 0.000 0.000 0.303 38 V C -0.351 175.597 176.094 -0.243 0.000 1.042 38 V CA -0.540 61.555 62.300 -0.342 0.000 0.872 38 V CB 1.745 33.433 31.823 -0.224 0.000 0.998 38 V HN 0.735 nan 8.190 nan 0.000 0.423 39 L N 5.347 126.393 121.223 -0.294 0.000 2.282 39 L HA 0.522 4.863 4.340 0.000 0.000 0.287 39 L C 0.477 177.223 176.870 -0.206 0.000 1.075 39 L CA -0.112 54.616 54.840 -0.187 0.000 0.839 39 L CB 0.689 42.648 42.059 -0.167 0.000 1.219 39 L HN 0.619 nan 8.230 nan 0.000 0.434 40 R N 2.258 122.679 120.500 -0.132 0.000 2.404 40 R HA 0.518 4.858 4.340 0.000 0.000 0.291 40 R C -0.095 176.164 176.300 -0.069 0.000 1.025 40 R CA -0.253 55.788 56.100 -0.098 0.000 0.991 40 R CB 1.397 31.667 30.300 -0.049 0.000 1.053 40 R HN 0.646 nan 8.270 nan 0.000 0.479 41 T N -0.968 113.551 114.554 -0.058 0.000 2.888 41 T HA 0.225 4.576 4.350 0.000 0.000 0.288 41 T C 0.016 174.701 174.700 -0.024 0.000 1.063 41 T CA -0.812 61.262 62.100 -0.045 0.000 1.010 41 T CB 1.475 70.310 68.868 -0.056 0.000 1.214 41 T HN 0.647 nan 8.240 nan 0.000 0.533 42 D N -0.807 119.581 120.400 -0.020 0.000 2.395 42 D HA 0.302 4.943 4.640 0.000 0.000 0.226 42 D C 0.924 177.219 176.300 -0.008 0.000 1.146 42 D CA -0.487 53.508 54.000 -0.009 0.000 0.830 42 D CB -0.327 40.469 40.800 -0.008 0.000 0.958 42 D HN 0.736 nan 8.370 nan 0.000 0.501 43 G N -0.233 108.559 108.800 -0.012 0.000 2.782 43 G HA2 0.568 4.528 3.960 0.000 0.000 0.201 43 G HA3 0.568 4.528 3.960 0.000 0.000 0.201 43 G C -0.161 174.740 174.900 0.001 0.000 1.374 43 G CA -0.418 44.676 45.100 -0.009 0.000 1.039 43 G HN 0.341 nan 8.290 nan 0.000 0.576 44 A N -1.040 121.782 122.820 0.004 0.000 2.448 44 A HA 0.390 4.711 4.320 0.000 0.000 0.239 44 A C 1.216 178.815 177.584 0.026 0.000 1.080 44 A CA 0.306 52.352 52.037 0.015 0.000 0.779 44 A CB 0.110 19.120 19.000 0.016 0.000 1.026 44 A HN 0.569 nan 8.150 nan 0.000 0.499 45 E N 0.209 120.433 120.200 0.040 0.000 2.209 45 E HA -0.160 4.190 4.350 0.000 0.000 0.196 45 E C 1.312 177.962 176.600 0.084 0.000 0.993 45 E CA 1.407 57.844 56.400 0.062 0.000 0.819 45 E CB 0.008 29.748 29.700 0.067 0.000 0.745 45 E HN 0.735 nan 8.360 nan 0.000 0.477 46 D N -0.124 120.317 120.400 0.068 0.000 2.224 46 D HA -0.107 4.534 4.640 0.000 0.000 0.205 46 D C 0.176 176.517 176.300 0.069 0.000 0.965 46 D CA 0.155 54.202 54.000 0.079 0.000 0.852 46 D CB 0.141 40.972 40.800 0.053 0.000 0.947 46 D HN 0.109 nan 8.370 nan 0.000 0.494 47 L N 1.309 122.550 121.223 0.031 0.000 2.395 47 L HA 0.406 4.746 4.340 0.000 0.000 0.268 47 L C -0.509 176.342 176.870 -0.031 0.000 1.223 47 L CA 0.002 54.838 54.840 -0.007 0.000 1.093 47 L CB -0.110 41.935 42.059 -0.023 0.000 1.349 47 L HN 0.003 nan 8.230 nan 0.000 0.427 48 A N 2.460 125.256 122.820 -0.040 0.000 2.606 48 A HA 0.861 5.181 4.320 0.000 0.000 0.293 48 A C -0.502 176.938 177.584 -0.241 0.000 1.082 48 A CA -0.166 51.767 52.037 -0.174 0.000 0.685 48 A CB 1.071 19.935 19.000 -0.226 0.000 1.284 48 A HN 0.568 nan 8.150 nan 0.000 0.408 49 G N -0.304 108.259 108.800 -0.395 0.000 2.470 49 G HA2 0.614 4.575 3.960 0.000 0.000 0.320 49 G HA3 0.614 4.575 3.960 0.000 0.000 0.320 49 G C -1.459 173.149 174.900 -0.488 0.000 1.245 49 G CA -0.271 44.661 45.100 -0.279 0.000 0.935 49 G HN 0.484 nan 8.290 nan 0.000 0.476 50 Y N 0.315 120.613 120.300 -0.004 0.000 2.485 50 Y HA 0.770 5.321 4.550 0.000 0.000 0.345 50 Y C 0.746 176.621 175.900 -0.042 0.000 0.998 50 Y CA -0.295 57.767 58.100 -0.062 0.000 1.059 50 Y CB 2.919 41.397 38.460 0.029 0.000 1.234 50 Y HN 0.866 nan 8.280 nan 0.000 0.461 51 G N 1.052 109.868 108.800 0.026 0.000 2.608 51 G HA2 0.699 4.659 3.960 0.000 0.000 0.291 51 G HA3 0.699 4.659 3.960 0.000 0.000 0.291 51 G C -2.262 172.680 174.900 0.070 0.000 1.425 51 G CA -0.976 44.132 45.100 0.014 0.000 0.787 51 G HN 0.778 nan 8.290 nan 0.000 0.484 52 L N -2.759 118.518 121.223 0.090 0.000 2.672 52 L HA 0.818 5.158 4.340 0.000 0.000 0.256 52 L C -1.196 175.749 176.870 0.126 0.000 0.946 52 L CA -1.080 53.870 54.840 0.182 0.000 0.889 52 L CB 1.411 43.683 42.059 0.356 0.000 1.441 52 L HN 0.514 nan 8.230 nan 0.000 0.418 53 V N 2.059 122.051 119.914 0.131 0.000 2.427 53 V HA 0.493 4.613 4.120 0.000 0.000 0.286 53 V C -0.550 175.637 176.094 0.155 0.000 1.034 53 V CA -0.174 62.186 62.300 0.100 0.000 0.893 53 V CB 1.392 33.240 31.823 0.041 0.000 0.982 53 V HN 0.715 nan 8.190 nan 0.000 0.452 54 F N 5.414 125.371 119.950 0.012 0.000 2.411 54 F HA 0.676 5.203 4.527 0.000 0.000 0.350 54 F C 0.449 176.236 175.800 -0.022 0.000 1.114 54 F CA -0.130 57.867 58.000 -0.005 0.000 1.135 54 F CB 1.099 40.076 39.000 -0.038 0.000 1.120 54 F HN 0.677 nan 8.300 nan 0.000 0.495 55 T N 3.345 117.411 114.554 -0.813 0.000 2.831 55 T HA 0.558 4.908 4.350 0.000 0.000 0.287 55 T C 0.106 174.290 174.700 -0.858 0.000 1.070 55 T CA -0.586 61.064 62.100 -0.749 0.000 1.010 55 T CB 1.421 70.089 68.868 -0.333 0.000 1.264 55 T HN 0.686 nan 8.240 nan 0.000 0.532 56 I N -1.922 118.362 120.570 -0.476 0.000 3.654 56 I HA 0.709 4.879 4.170 0.000 0.000 0.337 56 I C 0.801 176.838 176.117 -0.132 0.000 1.568 56 I CA -0.484 60.669 61.300 -0.245 0.000 1.115 56 I CB -0.365 37.552 38.000 -0.138 0.000 1.300 56 I HN 1.143 nan 8.210 nan 0.000 0.471 57 G N 1.868 110.563 108.800 -0.175 0.000 2.433 57 G HA2 -0.115 3.845 3.960 0.000 0.000 0.211 57 G HA3 -0.115 3.845 3.960 0.000 0.000 0.211 57 G C -0.298 174.442 174.900 -0.266 0.000 1.214 57 G CA -0.801 44.173 45.100 -0.209 0.000 1.271 57 G HN 0.344 nan 8.290 nan 0.000 0.503 58 R N 1.477 121.840 120.500 -0.229 0.000 2.640 58 R HA 0.367 4.708 4.340 0.000 0.000 0.270 58 R C 1.493 177.692 176.300 -0.168 0.000 1.024 58 R CA 1.674 57.651 56.100 -0.207 0.000 1.085 58 R CB 0.175 30.389 30.300 -0.142 0.000 0.963 58 R HN 2.168 nan 8.270 nan 0.000 0.426 59 G N 2.039 110.750 108.800 -0.148 0.000 2.234 59 G HA2 -0.343 3.618 3.960 0.000 0.000 0.235 59 G HA3 -0.343 3.618 3.960 0.000 0.000 0.235 59 G C 0.849 175.680 174.900 -0.115 0.000 0.997 59 G CA 0.397 45.428 45.100 -0.115 0.000 0.623 59 G HN 0.645 nan 8.290 nan 0.000 0.514 60 N N 1.801 120.412 118.700 -0.148 0.000 2.289 60 N HA -0.062 4.678 4.740 0.000 0.000 0.184 60 N C 1.923 177.391 175.510 -0.070 0.000 1.016 60 N CA 2.040 55.018 53.050 -0.119 0.000 0.872 60 N CB -0.200 38.198 38.487 -0.148 0.000 0.973 60 N HN 0.676 nan 8.380 nan 0.000 0.433 61 D N -0.670 119.690 120.400 -0.067 0.000 2.144 61 D HA -0.104 4.536 4.640 0.000 0.000 0.200 61 D C 1.841 178.129 176.300 -0.020 0.000 0.978 61 D CA 0.758 54.745 54.000 -0.020 0.000 0.833 61 D CB -0.612 40.191 40.800 0.004 0.000 0.961 61 D HN 0.137 nan 8.370 nan 0.000 0.470 62 V N 0.777 120.671 119.914 -0.034 0.000 2.358 62 V HA -0.244 3.876 4.120 0.000 0.000 0.246 62 V C 2.773 178.852 176.094 -0.025 0.000 1.047 62 V CA 1.807 64.091 62.300 -0.028 0.000 1.035 62 V CB -0.771 31.031 31.823 -0.036 0.000 0.658 62 V HN 0.153 nan 8.190 nan 0.000 0.452 63 Q N 0.377 120.156 119.800 -0.035 0.000 2.084 63 Q HA -0.176 4.164 4.340 0.000 0.000 0.202 63 Q C 2.179 178.173 176.000 -0.010 0.000 0.978 63 Q CA 2.531 58.317 55.803 -0.029 0.000 0.844 63 Q CB -0.718 27.994 28.738 -0.044 0.000 0.898 63 Q HN 0.630 nan 8.270 nan 0.000 0.426 64 T N 0.101 114.653 114.554 -0.003 0.000 2.777 64 T HA -0.069 4.281 4.350 0.000 0.000 0.266 64 T C 1.698 176.399 174.700 0.001 0.000 1.040 64 T CA 1.243 63.350 62.100 0.012 0.000 1.141 64 T CB -0.531 68.351 68.868 0.023 0.000 0.868 64 T HN 0.455 nan 8.240 nan 0.000 0.444 65 A N 1.425 124.243 122.820 -0.004 0.000 1.933 65 A HA 0.159 4.479 4.320 0.000 0.000 0.218 65 A C 2.620 180.203 177.584 -0.001 0.000 1.175 65 A CA 1.756 53.791 52.037 -0.004 0.000 0.628 65 A CB -1.003 17.994 19.000 -0.004 0.000 0.814 65 A HN 0.502 nan 8.150 nan 0.000 0.444 66 A N -0.559 122.259 122.820 -0.003 0.000 1.933 66 A HA 0.019 4.340 4.320 0.000 0.000 0.218 66 A C 2.210 179.791 177.584 -0.005 0.000 1.175 66 A CA 1.764 53.799 52.037 -0.003 0.000 0.628 66 A CB -0.812 18.184 19.000 -0.007 0.000 0.814 66 A HN 0.382 nan 8.150 nan 0.000 0.444 67 V N -0.187 119.725 119.914 -0.004 0.000 2.358 67 V HA -0.201 3.920 4.120 0.000 0.000 0.246 67 V C 3.031 179.125 176.094 -0.000 0.000 1.047 67 V CA 1.766 64.064 62.300 -0.003 0.000 1.035 67 V CB -1.248 30.578 31.823 0.005 0.000 0.658 67 V HN 0.592 nan 8.190 nan 0.000 0.452 68 A N 0.220 123.039 122.820 -0.002 0.000 1.978 68 A HA -0.112 4.208 4.320 0.000 0.000 0.220 68 A C 2.303 179.896 177.584 0.014 0.000 1.170 68 A CA 1.863 53.899 52.037 -0.002 0.000 0.636 68 A CB -0.667 18.326 19.000 -0.012 0.000 0.810 68 A HN 0.601 nan 8.150 nan 0.000 0.448 69 A N -0.786 122.045 122.820 0.018 0.000 2.216 69 A HA 0.183 4.503 4.320 0.000 0.000 0.214 69 A C 1.755 179.383 177.584 0.075 0.000 1.160 69 A CA 0.928 52.988 52.037 0.038 0.000 0.725 69 A CB -0.450 18.568 19.000 0.031 0.000 0.784 69 A HN 0.480 nan 8.150 nan 0.000 0.472 70 L N -1.433 119.820 121.223 0.051 0.000 2.592 70 L HA 0.097 4.437 4.340 0.000 0.000 0.227 70 L C 2.654 179.606 176.870 0.136 0.000 1.127 70 L CA 0.372 55.253 54.840 0.069 0.000 0.884 70 L CB -0.259 41.777 42.059 -0.038 0.000 1.065 70 L HN 0.393 nan 8.230 nan 0.000 0.457 71 A N 0.722 123.598 122.820 0.092 0.000 1.892 71 A HA -0.253 4.068 4.320 0.000 0.000 0.218 71 A C 2.123 179.756 177.584 0.082 0.000 1.188 71 A CA 1.834 53.914 52.037 0.072 0.000 0.631 71 A CB -0.358 18.665 19.000 0.037 0.000 0.822 71 A HN 0.460 nan 8.150 nan 0.000 0.447 72 E N -1.164 119.080 120.200 0.073 0.000 2.265 72 E HA -0.180 4.170 4.350 0.000 0.000 0.196 72 E C 1.662 178.244 176.600 -0.030 0.000 0.996 72 E CA 0.906 57.308 56.400 0.003 0.000 0.832 72 E CB -0.256 29.414 29.700 -0.050 0.000 0.756 72 E HN 0.761 nan 8.360 nan 0.000 0.491 73 H N -0.989 118.083 119.070 0.004 0.000 2.502 73 H HA 0.015 4.572 4.556 0.000 0.000 0.283 73 H C 1.739 177.082 175.328 0.025 0.000 1.015 73 H CA 0.863 56.907 56.048 -0.007 0.000 1.298 73 H CB 0.789 30.526 29.762 -0.042 0.000 1.411 73 H HN 0.054 nan 8.280 nan 0.000 0.556 74 V N 0.136 120.156 119.914 0.176 0.000 3.359 74 V HA 0.014 4.134 4.120 0.000 0.000 0.245 74 V C 0.924 177.089 176.094 0.119 0.000 1.247 74 V CA 0.134 62.553 62.300 0.198 0.000 1.145 74 V CB 0.930 32.910 31.823 0.262 0.000 0.906 74 V HN -0.068 nan 8.190 nan 0.000 0.464 75 V N 2.546 122.505 119.914 0.075 0.000 2.540 75 V HA 0.428 4.548 4.120 0.000 0.000 0.297 75 V C 1.471 177.583 176.094 0.030 0.000 1.024 75 V CA 1.720 64.043 62.300 0.040 0.000 1.105 75 V CB -0.149 31.689 31.823 0.024 0.000 0.938 75 V HN 0.722 nan 8.190 nan 0.000 0.482 76 G N 3.868 112.680 108.800 0.021 0.000 2.218 76 G HA2 -0.182 3.778 3.960 0.000 0.000 0.216 76 G HA3 -0.182 3.778 3.960 0.000 0.000 0.216 76 G C 0.069 174.980 174.900 0.018 0.000 0.994 76 G CA -0.172 44.936 45.100 0.014 0.000 0.637 76 G HN 0.551 nan 8.290 nan 0.000 0.505 77 L N 1.855 123.099 121.223 0.034 0.000 2.439 77 L HA 0.502 4.842 4.340 0.000 0.000 0.269 77 L C 1.344 178.217 176.870 0.005 0.000 1.179 77 L CA 0.200 55.062 54.840 0.038 0.000 0.828 77 L CB 1.292 43.404 42.059 0.088 0.000 1.106 77 L HN 0.288 nan 8.230 nan 0.000 0.467 78 S N 1.253 116.952 115.700 -0.001 0.000 2.531 78 S HA 0.116 4.586 4.470 0.000 0.000 0.279 78 S C 1.104 175.675 174.600 -0.049 0.000 1.305 78 S CA -0.845 57.342 58.200 -0.021 0.000 1.058 78 S CB 1.207 64.398 63.200 -0.015 0.000 0.899 78 S HN 0.392 nan 8.310 nan 0.000 0.493 79 V N 4.694 124.569 119.914 -0.065 0.000 2.287 79 V HA -0.141 3.979 4.120 0.000 0.000 0.248 79 V C 2.147 178.180 176.094 -0.103 0.000 1.053 79 V CA 2.215 64.455 62.300 -0.101 0.000 1.027 79 V CB -0.682 31.085 31.823 -0.092 0.000 0.646 79 V HN 0.836 nan 8.190 nan 0.000 0.447 80 D N -0.194 120.164 120.400 -0.070 0.000 2.123 80 D HA -0.147 4.493 4.640 0.000 0.000 0.196 80 D C 2.240 178.504 176.300 -0.059 0.000 0.992 80 D CA 1.025 54.989 54.000 -0.061 0.000 0.833 80 D CB -0.203 40.573 40.800 -0.039 0.000 0.954 80 D HN 0.340 nan 8.370 nan 0.000 0.455 81 K N 0.699 121.072 120.400 -0.046 0.000 2.057 81 K HA -0.041 4.279 4.320 0.000 0.000 0.206 81 K C 2.324 178.899 176.600 -0.042 0.000 1.050 81 K CA 0.266 56.536 56.287 -0.028 0.000 0.935 81 K CB -0.630 31.868 32.500 -0.004 0.000 0.715 81 K HN 0.106 nan 8.250 nan 0.000 0.439 82 V N 2.745 122.606 119.914 -0.089 0.000 2.244 82 V HA -0.217 3.903 4.120 0.000 0.000 0.244 82 V C 2.394 178.349 176.094 -0.232 0.000 1.042 82 V CA 1.884 64.077 62.300 -0.178 0.000 1.006 82 V CB -0.583 31.018 31.823 -0.370 0.000 0.641 82 V HN 0.333 nan 8.190 nan 0.000 0.446 83 I N -0.467 119.963 120.570 -0.233 0.000 2.614 83 I HA -0.017 4.153 4.170 0.000 0.000 0.258 83 I C 2.141 178.173 176.117 -0.142 0.000 1.189 83 I CA 1.620 62.778 61.300 -0.236 0.000 1.462 83 I CB -0.560 37.311 38.000 -0.215 0.000 1.092 83 I HN 0.158 nan 8.210 nan 0.000 0.442 84 A N 0.076 122.839 122.820 -0.094 0.000 2.169 84 A HA -0.025 4.296 4.320 0.000 0.000 0.212 84 A C 0.719 178.275 177.584 -0.048 0.000 1.153 84 A CA 0.877 52.882 52.037 -0.054 0.000 0.756 84 A CB -0.168 18.811 19.000 -0.035 0.000 0.813 84 A HN 0.530 nan 8.150 nan 0.000 0.471 85 D N -0.750 119.616 120.400 -0.056 0.000 2.823 85 D HA 0.257 4.897 4.640 0.000 0.000 0.255 85 D C 0.509 176.805 176.300 -0.007 0.000 1.257 85 D CA -0.269 53.719 54.000 -0.019 0.000 0.803 85 D CB -0.114 40.696 40.800 0.018 0.000 1.384 85 D HN 0.123 nan 8.370 nan 0.000 0.541 86 L N 0.638 121.804 121.223 -0.096 0.000 2.362 86 L HA 0.096 4.437 4.340 0.000 0.000 0.219 86 L C 2.377 179.326 176.870 0.132 0.000 1.134 86 L CA 1.275 56.058 54.840 -0.096 0.000 0.807 86 L CB 0.126 41.840 42.059 -0.574 0.000 0.927 86 L HN 0.351 nan 8.230 nan 0.000 0.447 87 G N -0.393 108.478 108.800 0.119 0.000 2.394 87 G HA2 -0.187 3.773 3.960 0.000 0.000 0.214 87 G HA3 -0.187 3.773 3.960 0.000 0.000 0.214 87 G C 1.788 176.766 174.900 0.131 0.000 1.176 87 G CA 0.672 45.863 45.100 0.152 0.000 0.786 87 G HN 0.427 nan 8.290 nan 0.000 0.533 88 A N 0.315 123.203 122.820 0.113 0.000 1.933 88 A HA 0.074 4.395 4.320 0.000 0.000 0.218 88 A C 2.154 179.809 177.584 0.119 0.000 1.175 88 A CA 1.528 53.624 52.037 0.098 0.000 0.628 88 A CB -0.536 18.515 19.000 0.085 0.000 0.814 88 A HN 0.381 nan 8.150 nan 0.000 0.444 89 F N 1.034 120.996 119.950 0.020 0.000 2.102 89 F HA -0.059 4.468 4.527 0.000 0.000 0.298 89 F C 2.510 178.342 175.800 0.053 0.000 1.105 89 F CA 1.148 59.162 58.000 0.023 0.000 1.239 89 F CB -0.514 38.480 39.000 -0.010 0.000 0.991 89 F HN 0.245 nan 8.300 nan 0.000 0.474 90 A N 0.669 123.540 122.820 0.085 0.000 1.902 90 A HA -0.193 4.128 4.320 0.000 0.000 0.217 90 A C 2.339 179.894 177.584 -0.049 0.000 1.181 90 A CA 1.752 53.799 52.037 0.017 0.000 0.623 90 A CB -0.750 18.357 19.000 0.178 0.000 0.818 90 A HN 0.458 nan 8.150 nan 0.000 0.443 91 R N -1.028 119.473 120.500 0.002 0.000 2.120 91 R HA -0.099 4.241 4.340 0.000 0.000 0.234 91 R C 2.429 178.712 176.300 -0.029 0.000 1.123 91 R CA 1.255 57.357 56.100 0.004 0.000 0.975 91 R CB -0.318 30.001 30.300 0.032 0.000 0.866 91 R HN 0.577 nan 8.270 nan 0.000 0.446 92 R N 1.056 121.511 120.500 -0.075 0.000 2.127 92 R HA -0.134 4.206 4.340 0.000 0.000 0.238 92 R C 1.779 178.034 176.300 -0.074 0.000 1.134 92 R CA 1.308 57.368 56.100 -0.067 0.000 0.975 92 R CB -0.027 30.202 30.300 -0.117 0.000 0.865 92 R HN 0.224 nan 8.270 nan 0.000 0.447 93 L N -1.721 119.395 121.223 -0.178 0.000 2.200 93 L HA 0.014 4.354 4.340 0.000 0.000 0.200 93 L C 2.528 179.343 176.870 -0.091 0.000 1.072 93 L CA 1.132 55.849 54.840 -0.204 0.000 0.787 93 L CB -0.605 41.280 42.059 -0.291 0.000 0.957 93 L HN 0.152 nan 8.230 nan 0.000 0.459 94 T N -0.336 114.198 114.554 -0.034 0.000 2.915 94 T HA -0.066 4.284 4.350 0.000 0.000 0.269 94 T C 1.439 176.160 174.700 0.036 0.000 1.071 94 T CA 1.165 63.288 62.100 0.038 0.000 1.132 94 T CB -0.147 68.771 68.868 0.083 0.000 0.878 94 T HN 0.170 nan 8.240 nan 0.000 0.479 95 N N 1.870 120.584 118.700 0.024 0.000 2.322 95 N HA 0.061 4.801 4.740 0.000 0.000 0.194 95 N C -0.155 175.384 175.510 0.049 0.000 1.126 95 N CA 0.082 53.154 53.050 0.036 0.000 0.845 95 N CB -0.051 38.454 38.487 0.030 0.000 0.976 95 N HN 0.467 nan 8.380 nan 0.000 0.475 96 D N 0.832 121.262 120.400 0.051 0.000 2.359 96 D HA 0.014 4.655 4.640 0.000 0.000 0.250 96 D C 1.178 177.528 176.300 0.085 0.000 1.264 96 D CA -0.002 54.047 54.000 0.083 0.000 0.911 96 D CB 0.686 41.554 40.800 0.113 0.000 1.056 96 D HN 0.135 nan 8.370 nan 0.000 0.499 97 S N 3.352 119.105 115.700 0.088 0.000 2.402 97 S HA -0.285 4.185 4.470 0.000 0.000 0.233 97 S C 1.590 176.278 174.600 0.146 0.000 1.030 97 S CA 1.059 59.327 58.200 0.113 0.000 1.003 97 S CB -0.204 63.058 63.200 0.103 0.000 0.813 97 S HN 0.610 nan 8.310 nan 0.000 0.477 98 Q N 0.643 120.511 119.800 0.113 0.000 2.123 98 Q HA 0.157 4.497 4.340 0.000 0.000 0.199 98 Q C 2.263 178.352 176.000 0.148 0.000 0.966 98 Q CA 1.268 57.139 55.803 0.114 0.000 0.845 98 Q CB -0.349 28.426 28.738 0.062 0.000 0.907 98 Q HN 0.566 nan 8.270 nan 0.000 0.439 99 L N 0.001 121.292 121.223 0.114 0.000 2.156 99 L HA -0.100 4.240 4.340 0.000 0.000 0.208 99 L C 2.322 179.251 176.870 0.098 0.000 1.095 99 L CA 0.786 55.678 54.840 0.086 0.000 0.770 99 L CB -0.285 41.786 42.059 0.020 0.000 0.914 99 L HN 0.163 nan 8.230 nan 0.000 0.439 100 R N -0.641 119.924 120.500 0.108 0.000 2.120 100 R HA -0.216 4.124 4.340 0.000 0.000 0.234 100 R C 2.151 178.502 176.300 0.086 0.000 1.123 100 R CA 1.415 57.562 56.100 0.079 0.000 0.975 100 R CB -0.371 29.981 30.300 0.087 0.000 0.866 100 R HN 0.513 nan 8.270 nan 0.000 0.446 101 W N 1.099 122.397 121.300 -0.003 0.000 2.364 101 W HA -0.161 4.499 4.660 0.000 0.000 0.281 101 W C 0.944 177.456 176.519 -0.012 0.000 1.219 101 W CA 1.006 58.347 57.345 -0.006 0.000 1.220 101 W CB 0.079 29.539 29.460 -0.001 0.000 1.127 101 W HN 0.082 nan 8.180 nan 0.000 0.556 102 L N 0.131 121.438 121.223 0.139 0.000 2.551 102 L HA 0.063 4.404 4.340 0.000 0.000 0.228 102 L C 2.009 178.860 176.870 -0.032 0.000 1.153 102 L CA 1.641 56.518 54.840 0.063 0.000 0.851 102 L CB -1.034 41.072 42.059 0.078 0.000 0.959 102 L HN -0.071 nan 8.230 nan 0.000 0.451 103 G N -1.306 107.449 108.800 -0.074 0.000 2.694 103 G HA2 0.302 4.262 3.960 0.000 0.000 0.212 103 G HA3 0.302 4.262 3.960 0.000 0.000 0.212 103 G C -2.352 172.434 174.900 -0.189 0.000 2.030 103 G CA -0.006 45.026 45.100 -0.114 0.000 0.731 103 G HN 0.072 nan 8.290 nan 0.000 0.795 104 P HA 0.366 nan 4.420 nan 0.000 0.286 104 P C -0.920 176.237 177.300 -0.238 0.000 1.261 104 P CA -0.302 62.702 63.100 -0.160 0.000 0.821 104 P CB 0.880 32.505 31.700 -0.123 0.000 1.013 105 E N 0.450 120.429 120.200 -0.368 0.000 2.228 105 E HA -0.250 4.100 4.350 0.000 0.000 0.213 105 E C -0.099 176.130 176.600 -0.618 0.000 1.282 105 E CA 0.796 56.612 56.400 -0.972 0.000 0.707 105 E CB -1.541 27.746 29.700 -0.687 0.000 1.150 105 E HN 0.575 nan 8.360 nan 0.000 0.362 106 K N -2.028 118.227 120.400 -0.242 0.000 2.625 106 K HA 0.604 4.925 4.320 0.000 0.000 0.284 106 K C 0.247 176.844 176.600 -0.005 0.000 0.984 106 K CA -0.586 55.660 56.287 -0.070 0.000 0.865 106 K CB 1.459 33.890 32.500 -0.116 0.000 1.468 106 K HN 0.337 nan 8.250 nan 0.000 0.407 107 G N 0.501 109.291 108.800 -0.016 0.000 2.645 107 G HA2 -0.278 3.683 3.960 0.000 0.000 0.246 107 G HA3 -0.278 3.683 3.960 0.000 0.000 0.246 107 G C 0.638 175.533 174.900 -0.008 0.000 1.322 107 G CA -0.034 45.045 45.100 -0.034 0.000 0.898 107 G HN 0.677 nan 8.290 nan 0.000 0.573 108 V N -0.262 119.636 119.914 -0.027 0.000 2.278 108 V HA -0.304 3.817 4.120 0.000 0.000 0.251 108 V C 2.925 179.020 176.094 0.002 0.000 1.062 108 V CA 3.528 65.814 62.300 -0.022 0.000 1.038 108 V CB -0.722 31.084 31.823 -0.027 0.000 0.646 108 V HN 0.703 nan 8.190 nan 0.000 0.447 109 M N -0.720 118.891 119.600 0.018 0.000 2.159 109 M HA -0.147 4.333 4.480 0.000 0.000 0.263 109 M C 2.048 178.388 176.300 0.066 0.000 1.063 109 M CA 1.900 57.218 55.300 0.030 0.000 1.110 109 M CB -0.760 31.860 32.600 0.034 0.000 1.374 109 M HN 0.500 nan 8.290 nan 0.000 0.411 110 H N -0.804 118.247 119.070 -0.031 0.000 2.395 110 H HA 0.035 4.591 4.556 0.000 0.000 0.299 110 H C 1.717 177.037 175.328 -0.013 0.000 1.070 110 H CA 1.963 57.997 56.048 -0.023 0.000 1.356 110 H CB -0.031 29.718 29.762 -0.021 0.000 1.401 110 H HN 0.358 nan 8.280 nan 0.000 0.524 111 M N -0.807 118.781 119.600 -0.020 0.000 2.175 111 M HA -0.076 4.404 4.480 0.000 0.000 0.264 111 M C 2.536 178.799 176.300 -0.062 0.000 1.063 111 M CA 1.231 56.489 55.300 -0.070 0.000 1.119 111 M CB -0.174 32.406 32.600 -0.032 0.000 1.377 111 M HN 0.405 nan 8.290 nan 0.000 0.415 112 A N 0.902 123.699 122.820 -0.037 0.000 1.877 112 A HA -0.139 4.181 4.320 0.000 0.000 0.216 112 A C 2.052 179.610 177.584 -0.043 0.000 1.186 112 A CA 1.419 53.440 52.037 -0.028 0.000 0.620 112 A CB -0.841 18.147 19.000 -0.021 0.000 0.822 112 A HN 0.433 nan 8.150 nan 0.000 0.443 113 I N -0.291 120.238 120.570 -0.069 0.000 2.226 113 I HA -0.218 3.952 4.170 0.000 0.000 0.245 113 I C 2.680 178.749 176.117 -0.081 0.000 1.100 113 I CA 1.152 62.400 61.300 -0.086 0.000 1.374 113 I CB -0.585 37.367 38.000 -0.079 0.000 1.057 113 I HN 0.413 nan 8.210 nan 0.000 0.413 114 G N 0.364 109.072 108.800 -0.153 0.000 2.422 114 G HA2 -0.232 3.729 3.960 0.000 0.000 0.218 114 G HA3 -0.232 3.729 3.960 0.000 0.000 0.218 114 G C 1.833 176.731 174.900 -0.004 0.000 1.146 114 G CA 0.816 45.849 45.100 -0.111 0.000 0.769 114 G HN 0.500 nan 8.290 nan 0.000 0.547 115 A N 0.046 122.863 122.820 -0.005 0.000 1.930 115 A HA 0.145 4.465 4.320 0.000 0.000 0.217 115 A C 2.563 180.185 177.584 0.064 0.000 1.175 115 A CA 1.648 53.698 52.037 0.022 0.000 0.627 115 A CB -0.454 18.556 19.000 0.016 0.000 0.815 115 A HN 0.240 nan 8.150 nan 0.000 0.443 116 V N 0.135 120.096 119.914 0.078 0.000 2.453 116 V HA -0.215 3.905 4.120 0.000 0.000 0.247 116 V C 2.374 178.650 176.094 0.303 0.000 1.048 116 V CA 1.754 64.144 62.300 0.150 0.000 1.049 116 V CB -0.605 31.294 31.823 0.126 0.000 0.672 116 V HN 0.556 nan 8.190 nan 0.000 0.457 117 I N 0.411 121.160 120.570 0.298 0.000 2.226 117 I HA -0.209 3.961 4.170 0.000 0.000 0.245 117 I C 2.380 178.793 176.117 0.492 0.000 1.100 117 I CA 1.346 62.923 61.300 0.461 0.000 1.374 117 I CB -0.459 37.736 38.000 0.326 0.000 1.057 117 I HN 0.345 nan 8.210 nan 0.000 0.413 118 N N 1.136 120.039 118.700 0.338 0.000 2.166 118 N HA -0.132 4.608 4.740 0.000 0.000 0.186 118 N C 1.867 177.614 175.510 0.394 0.000 1.019 118 N CA 1.576 54.867 53.050 0.403 0.000 0.856 118 N CB -0.333 38.241 38.487 0.145 0.000 0.993 118 N HN 0.351 nan 8.380 nan 0.000 0.426 119 A N 0.797 123.746 122.820 0.214 0.000 1.933 119 A HA 0.047 4.368 4.320 0.000 0.000 0.218 119 A C 2.333 179.957 177.584 0.067 0.000 1.175 119 A CA 1.760 53.866 52.037 0.114 0.000 0.628 119 A CB -0.659 18.348 19.000 0.012 0.000 0.814 119 A HN 0.310 nan 8.150 nan 0.000 0.444 120 A N -1.514 121.341 122.820 0.058 0.000 1.930 120 A HA -0.108 4.212 4.320 0.000 0.000 0.217 120 A C 1.907 179.400 177.584 -0.152 0.000 1.175 120 A CA 1.301 53.219 52.037 -0.197 0.000 0.627 120 A CB -0.785 17.924 19.000 -0.486 0.000 0.815 120 A HN 0.720 nan 8.150 nan 0.000 0.443 121 W N 0.019 121.292 121.300 -0.045 0.000 2.402 121 W HA -0.039 4.621 4.660 0.000 0.000 0.286 121 W C 1.925 178.320 176.519 -0.207 0.000 1.221 121 W CA 1.216 58.493 57.345 -0.113 0.000 1.257 121 W CB -0.275 29.167 29.460 -0.031 0.000 1.120 121 W HN 0.508 nan 8.180 nan 0.000 0.551 122 D N 0.074 120.596 120.400 0.204 0.000 2.097 122 D HA -0.197 4.443 4.640 0.000 0.000 0.195 122 D C 2.068 178.340 176.300 -0.046 0.000 0.989 122 D CA 1.325 55.406 54.000 0.135 0.000 0.827 122 D CB -0.358 40.611 40.800 0.281 0.000 0.966 122 D HN 0.013 nan 8.370 nan 0.000 0.456 123 L N 0.438 121.604 121.223 -0.095 0.000 2.042 123 L HA -0.016 4.325 4.340 0.000 0.000 0.210 123 L C 2.175 178.887 176.870 -0.263 0.000 1.076 123 L CA 2.242 56.983 54.840 -0.166 0.000 0.749 123 L CB -1.054 40.883 42.059 -0.204 0.000 0.893 123 L HN 0.086 nan 8.230 nan 0.000 0.432 124 A N -0.450 122.130 122.820 -0.401 0.000 1.877 124 A HA -0.092 4.229 4.320 0.000 0.000 0.216 124 A C 2.461 179.537 177.584 -0.846 0.000 1.186 124 A CA 1.892 53.563 52.037 -0.610 0.000 0.620 124 A CB -1.253 17.267 19.000 -0.801 0.000 0.822 124 A HN 0.588 nan 8.150 nan 0.000 0.443 125 A N -0.319 121.945 122.820 -0.926 0.000 1.902 125 A HA -0.163 4.157 4.320 0.000 0.000 0.217 125 A C 2.241 179.651 177.584 -0.290 0.000 1.181 125 A CA 1.614 53.226 52.037 -0.710 0.000 0.623 125 A CB -0.448 18.302 19.000 -0.416 0.000 0.818 125 A HN 0.550 nan 8.150 nan 0.000 0.443 126 R N -0.569 119.810 120.500 -0.202 0.000 2.081 126 R HA -0.058 4.283 4.340 0.000 0.000 0.235 126 R C 2.451 178.700 176.300 -0.086 0.000 1.131 126 R CA 1.220 57.267 56.100 -0.088 0.000 0.960 126 R CB -0.455 29.825 30.300 -0.034 0.000 0.856 126 R HN 0.504 nan 8.270 nan 0.000 0.436 127 A N 0.902 123.644 122.820 -0.129 0.000 1.972 127 A HA -0.072 4.249 4.320 0.000 0.000 0.219 127 A C 2.149 179.700 177.584 -0.055 0.000 1.169 127 A CA 1.662 53.645 52.037 -0.091 0.000 0.635 127 A CB -0.411 18.521 19.000 -0.115 0.000 0.810 127 A HN 0.396 nan 8.150 nan 0.000 0.446 128 A N -1.350 121.433 122.820 -0.061 0.000 2.251 128 A HA 0.181 4.501 4.320 0.000 0.000 0.209 128 A C 0.915 178.510 177.584 0.019 0.000 1.187 128 A CA 0.659 52.714 52.037 0.030 0.000 0.823 128 A CB -0.729 18.385 19.000 0.189 0.000 0.846 128 A HN 0.740 nan 8.150 nan 0.000 0.486 129 N N -0.899 117.794 118.700 -0.012 0.000 2.758 129 N HA -0.154 4.587 4.740 0.000 0.000 0.248 129 N C -0.980 174.527 175.510 -0.004 0.000 1.076 129 N CA 0.815 53.863 53.050 -0.005 0.000 0.696 129 N CB -0.748 37.740 38.487 0.002 0.000 0.979 129 N HN 0.620 nan 8.380 nan 0.000 0.550 130 K N 0.208 120.601 120.400 -0.011 0.000 2.469 130 K HA 0.497 4.818 4.320 0.000 0.000 0.254 130 K C -2.700 173.872 176.600 -0.045 0.000 0.939 130 K CA -1.625 54.642 56.287 -0.032 0.000 0.812 130 K CB 2.354 34.856 32.500 0.003 0.000 1.301 130 K HN -0.036 nan 8.250 nan 0.000 0.433 131 P HA -0.006 nan 4.420 nan 0.000 0.275 131 P C 0.570 177.843 177.300 -0.046 0.000 1.228 131 P CA -0.423 62.691 63.100 0.023 0.000 0.786 131 P CB 0.801 32.568 31.700 0.111 0.000 0.927 132 L N 4.228 125.406 121.223 -0.074 0.000 2.051 132 L HA -0.161 4.179 4.340 0.000 0.000 0.214 132 L C 2.339 179.281 176.870 0.119 0.000 1.076 132 L CA 1.902 56.667 54.840 -0.126 0.000 0.758 132 L CB -1.510 40.145 42.059 -0.673 0.000 0.890 132 L HN 0.559 nan 8.230 nan 0.000 0.433 133 W N -0.208 121.263 121.300 0.284 0.000 2.342 133 W HA -0.228 4.433 4.660 0.000 0.000 0.297 133 W C 2.061 178.660 176.519 0.133 0.000 1.213 133 W CA 1.235 58.682 57.345 0.171 0.000 1.251 133 W CB -1.275 28.265 29.460 0.132 0.000 1.136 133 W HN 0.163 nan 8.180 nan 0.000 0.526 134 R N -0.309 119.797 120.500 -0.657 0.000 2.093 134 R HA -0.078 4.262 4.340 0.000 0.000 0.224 134 R C 2.317 178.504 176.300 -0.187 0.000 1.101 134 R CA 1.569 57.301 56.100 -0.614 0.000 0.979 134 R CB -0.941 28.814 30.300 -0.910 0.000 0.877 134 R HN 0.124 nan 8.270 nan 0.000 0.441 135 F N 1.814 121.646 119.950 -0.196 0.000 2.095 135 F HA -0.202 4.326 4.527 0.000 0.000 0.298 135 F C 1.932 177.742 175.800 0.017 0.000 1.104 135 F CA 1.479 59.434 58.000 -0.075 0.000 1.232 135 F CB -0.202 38.774 39.000 -0.040 0.000 0.987 135 F HN -0.136 nan 8.300 nan 0.000 0.475 136 I N 0.272 120.898 120.570 0.094 0.000 2.142 136 I HA -0.283 3.887 4.170 0.000 0.000 0.240 136 I C 2.642 178.745 176.117 -0.023 0.000 1.078 136 I CA 1.330 62.668 61.300 0.063 0.000 1.343 136 I CB -1.049 37.013 38.000 0.103 0.000 1.046 136 I HN 0.213 nan 8.210 nan 0.000 0.405 137 A N 0.075 122.909 122.820 0.023 0.000 2.125 137 A HA -0.166 4.154 4.320 0.000 0.000 0.219 137 A C 1.957 179.521 177.584 -0.035 0.000 1.156 137 A CA 1.425 53.482 52.037 0.032 0.000 0.671 137 A CB -0.511 18.571 19.000 0.137 0.000 0.794 137 A HN 0.511 nan 8.150 nan 0.000 0.459 138 E N -0.777 119.359 120.200 -0.107 0.000 2.481 138 E HA 0.248 4.598 4.350 0.000 0.000 0.198 138 E C -0.301 176.202 176.600 -0.162 0.000 1.027 138 E CA -0.432 55.894 56.400 -0.124 0.000 0.900 138 E CB 0.172 29.792 29.700 -0.133 0.000 0.993 138 E HN 0.539 nan 8.360 nan 0.000 0.482 139 L N 1.821 122.921 121.223 -0.204 0.000 2.452 139 L HA 0.106 4.446 4.340 0.000 0.000 0.267 139 L C 1.062 177.874 176.870 -0.097 0.000 1.188 139 L CA -0.343 54.377 54.840 -0.199 0.000 0.821 139 L CB 0.506 42.439 42.059 -0.210 0.000 1.102 139 L HN 0.087 nan 8.230 nan 0.000 0.470 140 T N -1.301 113.209 114.554 -0.074 0.000 2.813 140 T HA 0.163 4.513 4.350 0.000 0.000 0.297 140 T C -1.909 172.782 174.700 -0.016 0.000 1.036 140 T CA -1.513 60.563 62.100 -0.039 0.000 1.044 140 T CB 1.069 69.918 68.868 -0.032 0.000 0.993 140 T HN 0.354 nan 8.240 nan 0.000 0.535 141 P HA -0.106 nan 4.420 nan 0.000 0.216 141 P C 1.505 178.825 177.300 0.032 0.000 1.153 141 P CA 1.133 64.244 63.100 0.017 0.000 0.858 141 P CB 0.079 31.786 31.700 0.011 0.000 0.789 142 E N -0.173 120.038 120.200 0.019 0.000 2.051 142 E HA -0.251 4.099 4.350 0.000 0.000 0.192 142 E C 1.996 178.620 176.600 0.039 0.000 0.991 142 E CA 1.172 57.588 56.400 0.027 0.000 0.799 142 E CB -0.282 29.424 29.700 0.010 0.000 0.748 142 E HN 0.278 nan 8.360 nan 0.000 0.449 143 Q N 0.091 119.902 119.800 0.019 0.000 2.124 143 Q HA -0.150 4.191 4.340 0.000 0.000 0.202 143 Q C 2.409 178.445 176.000 0.060 0.000 0.977 143 Q CA 1.193 57.006 55.803 0.017 0.000 0.850 143 Q CB -0.016 28.701 28.738 -0.034 0.000 0.901 143 Q HN 0.371 nan 8.270 nan 0.000 0.429 144 L N 0.122 121.387 121.223 0.069 0.000 2.005 144 L HA -0.151 4.189 4.340 0.000 0.000 0.207 144 L C 2.480 179.442 176.870 0.154 0.000 1.072 144 L CA 1.021 55.932 54.840 0.118 0.000 0.744 144 L CB -0.713 41.397 42.059 0.085 0.000 0.895 144 L HN 0.204 nan 8.230 nan 0.000 0.433 145 V N -3.577 116.437 119.914 0.167 0.000 2.720 145 V HA -0.205 3.916 4.120 0.000 0.000 0.256 145 V C 1.721 177.989 176.094 0.291 0.000 1.082 145 V CA 1.751 64.221 62.300 0.283 0.000 1.101 145 V CB -0.716 31.282 31.823 0.291 0.000 0.693 145 V HN 0.335 nan 8.190 nan 0.000 0.479 146 D N 1.522 122.033 120.400 0.184 0.000 2.310 146 D HA -0.089 4.551 4.640 0.000 0.000 0.212 146 D C 2.363 178.760 176.300 0.161 0.000 0.965 146 D CA 1.912 56.006 54.000 0.157 0.000 0.879 146 D CB -0.123 40.735 40.800 0.097 0.000 0.921 146 D HN 0.800 nan 8.370 nan 0.000 0.510 147 T N -2.225 112.437 114.554 0.181 0.000 3.067 147 T HA 0.126 4.476 4.350 0.000 0.000 0.257 147 T C 1.107 175.896 174.700 0.149 0.000 1.105 147 T CA -0.153 62.076 62.100 0.214 0.000 1.104 147 T CB 0.122 69.221 68.868 0.386 0.000 0.925 147 T HN -0.031 nan 8.240 nan 0.000 0.498 148 I N 2.422 123.028 120.570 0.060 0.000 2.519 148 I HA 0.278 4.449 4.170 0.000 0.000 0.287 148 I C -0.113 175.872 176.117 -0.220 0.000 1.047 148 I CA -0.663 60.528 61.300 -0.182 0.000 1.381 148 I CB 0.880 38.559 38.000 -0.534 0.000 1.417 148 I HN 0.070 nan 8.210 nan 0.000 0.540 149 D N 5.527 125.788 120.400 -0.231 0.000 2.396 149 D HA 0.173 4.813 4.640 0.000 0.000 0.225 149 D C 0.222 176.387 176.300 -0.225 0.000 1.121 149 D CA -0.155 53.775 54.000 -0.117 0.000 0.853 149 D CB 0.500 41.278 40.800 -0.036 0.000 1.043 149 D HN 0.266 nan 8.370 nan 0.000 0.500 150 F N 1.862 121.817 119.950 0.007 0.000 2.811 150 F HA 0.151 4.679 4.527 0.001 0.000 0.301 150 F C 1.651 177.429 175.800 -0.038 0.000 1.151 150 F CA -0.268 57.735 58.000 0.005 0.000 1.412 150 F CB -0.021 38.985 39.000 0.010 0.000 1.113 150 F HN 0.151 nan 8.300 nan 0.000 0.579 151 R N -0.015 120.480 120.500 -0.008 0.000 2.623 151 R HA -0.067 4.274 4.340 0.000 0.000 0.271 151 R C -0.184 175.991 176.300 -0.207 0.000 1.043 151 R CA 0.254 56.203 56.100 -0.252 0.000 1.083 151 R CB -0.021 29.953 30.300 -0.543 0.000 0.974 151 R HN 0.281 nan 8.270 nan 0.000 0.436 152 Y N 1.205 121.548 120.300 0.071 0.000 4.798 152 Y HA -0.258 4.293 4.550 0.001 0.000 0.237 152 Y C 0.267 176.210 175.900 0.071 0.000 1.017 152 Y CA 0.626 58.759 58.100 0.054 0.000 2.010 152 Y CB -1.939 36.538 38.460 0.028 0.000 1.582 152 Y HN 0.631 nan 8.280 nan 0.000 0.621 153 L N -2.187 119.159 121.223 0.204 0.000 2.966 153 L HA 0.206 4.546 4.340 0.000 0.000 0.262 153 L C 1.929 178.918 176.870 0.197 0.000 1.165 153 L CA 0.678 55.638 54.840 0.199 0.000 0.978 153 L CB 0.381 42.561 42.059 0.200 0.000 1.337 153 L HN 0.131 nan 8.230 nan 0.000 0.563 154 S N 1.137 116.935 115.700 0.164 0.000 2.420 154 S HA -0.189 4.281 4.470 0.000 0.000 0.237 154 S C 1.568 176.234 174.600 0.110 0.000 1.023 154 S CA 2.021 60.294 58.200 0.122 0.000 0.991 154 S CB -0.126 63.124 63.200 0.084 0.000 0.792 154 S HN 0.635 nan 8.310 nan 0.000 0.488 155 D N -0.156 120.319 120.400 0.124 0.000 2.355 155 D HA 0.176 4.816 4.640 0.000 0.000 0.218 155 D C 1.237 177.627 176.300 0.150 0.000 1.004 155 D CA 0.864 54.933 54.000 0.116 0.000 0.880 155 D CB 0.030 40.895 40.800 0.109 0.000 0.911 155 D HN 0.490 nan 8.370 nan 0.000 0.528 156 A N -0.366 122.567 122.820 0.188 0.000 2.027 156 A HA 0.386 4.706 4.320 0.000 0.000 0.196 156 A C 0.263 178.001 177.584 0.256 0.000 1.573 156 A CA -0.132 52.069 52.037 0.274 0.000 1.097 156 A CB 0.683 19.892 19.000 0.348 0.000 1.196 156 A HN 0.148 nan 8.150 nan 0.000 0.462 157 L N 1.498 122.859 121.223 0.230 0.000 2.611 157 L HA 0.491 4.832 4.340 0.000 0.000 0.263 157 L C -0.187 176.843 176.870 0.267 0.000 0.969 157 L CA 0.196 55.179 54.840 0.238 0.000 0.894 157 L CB 1.429 43.653 42.059 0.276 0.000 1.229 157 L HN 0.309 nan 8.230 nan 0.000 0.416 158 T N -0.030 114.596 114.554 0.120 0.000 2.881 158 T HA 0.359 4.709 4.350 0.000 0.000 0.278 158 T C 1.120 175.645 174.700 -0.291 0.000 0.982 158 T CA -0.254 61.817 62.100 -0.049 0.000 0.989 158 T CB 1.365 70.186 68.868 -0.078 0.000 1.058 158 T HN 0.717 nan 8.240 nan 0.000 0.529 159 R N 0.180 120.184 120.500 -0.827 0.000 2.091 159 R HA -0.149 4.191 4.340 0.000 0.000 0.238 159 R C 1.353 177.456 176.300 -0.328 0.000 1.136 159 R CA 2.061 57.558 56.100 -1.005 0.000 0.959 159 R CB -0.603 29.151 30.300 -0.909 0.000 0.856 159 R HN 0.712 nan 8.270 nan 0.000 0.437 160 D N 0.350 120.618 120.400 -0.221 0.000 2.144 160 D HA -0.140 4.500 4.640 0.000 0.000 0.199 160 D C 1.710 177.978 176.300 -0.054 0.000 0.984 160 D CA 1.286 55.222 54.000 -0.107 0.000 0.834 160 D CB -0.099 40.650 40.800 -0.085 0.000 0.955 160 D HN 0.442 nan 8.370 nan 0.000 0.465 161 E N 0.325 120.501 120.200 -0.040 0.000 2.106 161 E HA -0.061 4.289 4.350 0.000 0.000 0.192 161 E C 2.066 178.691 176.600 0.042 0.000 0.984 161 E CA 0.879 57.283 56.400 0.006 0.000 0.806 161 E CB 0.009 29.723 29.700 0.024 0.000 0.750 161 E HN 0.190 nan 8.360 nan 0.000 0.458 162 A N 1.051 123.922 122.820 0.084 0.000 1.898 162 A HA -0.132 4.188 4.320 0.000 0.000 0.216 162 A C 2.160 179.797 177.584 0.087 0.000 1.181 162 A CA 0.894 53.018 52.037 0.145 0.000 0.620 162 A CB -0.571 18.625 19.000 0.327 0.000 0.819 162 A HN 0.133 nan 8.150 nan 0.000 0.442 163 L N -0.712 120.540 121.223 0.049 0.000 2.042 163 L HA -0.229 4.111 4.340 0.000 0.000 0.210 163 L C 3.118 179.997 176.870 0.015 0.000 1.076 163 L CA 1.097 55.953 54.840 0.027 0.000 0.749 163 L CB -0.513 41.544 42.059 -0.003 0.000 0.893 163 L HN 0.458 nan 8.230 nan 0.000 0.432 164 A N 0.262 123.086 122.820 0.007 0.000 1.908 164 A HA -0.206 4.114 4.320 0.000 0.000 0.218 164 A C 2.187 179.774 177.584 0.004 0.000 1.181 164 A CA 1.657 53.694 52.037 0.000 0.000 0.627 164 A CB -0.680 18.317 19.000 -0.005 0.000 0.818 164 A HN 0.371 nan 8.150 nan 0.000 0.445 165 I N -0.437 120.143 120.570 0.015 0.000 2.226 165 I HA -0.255 3.915 4.170 0.000 0.000 0.245 165 I C 2.347 178.470 176.117 0.010 0.000 1.100 165 I CA 1.136 62.444 61.300 0.014 0.000 1.374 165 I CB -0.319 37.699 38.000 0.029 0.000 1.057 165 I HN 0.292 nan 8.210 nan 0.000 0.413 166 L N 0.015 121.250 121.223 0.019 0.000 2.093 166 L HA -0.150 4.191 4.340 0.000 0.000 0.208 166 L C 2.706 179.577 176.870 0.000 0.000 1.085 166 L CA 1.259 56.107 54.840 0.013 0.000 0.755 166 L CB -0.522 41.554 42.059 0.028 0.000 0.904 166 L HN 0.139 nan 8.230 nan 0.000 0.435 167 R N -0.140 120.360 120.500 0.000 0.000 2.092 167 R HA -0.128 4.212 4.340 0.000 0.000 0.231 167 R C 1.795 178.087 176.300 -0.012 0.000 1.119 167 R CA 1.210 57.306 56.100 -0.007 0.000 0.970 167 R CB -0.258 30.038 30.300 -0.007 0.000 0.864 167 R HN 0.285 nan 8.270 nan 0.000 0.440 168 D N 0.421 120.814 120.400 -0.012 0.000 2.218 168 D HA -0.101 4.539 4.640 0.000 0.000 0.204 168 D C 1.493 177.778 176.300 -0.025 0.000 0.976 168 D CA 1.275 55.264 54.000 -0.017 0.000 0.853 168 D CB 0.005 40.796 40.800 -0.016 0.000 0.939 168 D HN 0.267 nan 8.370 nan 0.000 0.481 169 A N 0.154 122.957 122.820 -0.028 0.000 2.132 169 A HA -0.057 4.263 4.320 0.000 0.000 0.213 169 A C 1.976 179.535 177.584 -0.042 0.000 1.154 169 A CA 0.309 52.320 52.037 -0.044 0.000 0.753 169 A CB -0.196 18.775 19.000 -0.048 0.000 0.826 169 A HN 0.123 nan 8.150 nan 0.000 0.469 170 Q N -0.048 119.734 119.800 -0.029 0.000 2.096 170 Q HA -0.194 4.146 4.340 0.000 0.000 0.208 170 Q C -0.531 175.453 176.000 -0.027 0.000 0.993 170 Q CA 2.084 57.871 55.803 -0.026 0.000 0.862 170 Q CB -1.347 27.379 28.738 -0.020 0.000 0.915 170 Q HN 0.484 nan 8.270 nan 0.000 0.416 171 P HA -0.171 nan 4.420 nan 0.000 0.216 171 P C 0.898 178.181 177.300 -0.027 0.000 1.150 171 P CA 1.270 64.356 63.100 -0.023 0.000 0.843 171 P CB 0.057 31.743 31.700 -0.022 0.000 0.787 172 Q N -1.716 118.059 119.800 -0.041 0.000 2.319 172 Q HA 0.146 4.486 4.340 0.000 0.000 0.202 172 Q C 1.900 177.863 176.000 -0.061 0.000 0.896 172 Q CA 0.133 55.904 55.803 -0.053 0.000 0.942 172 Q CB -0.013 28.679 28.738 -0.076 0.000 1.083 172 Q HN 0.345 nan 8.270 nan 0.000 0.510 173 R N 0.633 121.105 120.500 -0.047 0.000 2.094 173 R HA -0.163 4.177 4.340 0.000 0.000 0.239 173 R C 2.154 178.458 176.300 0.006 0.000 1.137 173 R CA 1.708 57.790 56.100 -0.030 0.000 0.943 173 R CB -0.367 29.924 30.300 -0.015 0.000 0.850 173 R HN 0.212 nan 8.270 nan 0.000 0.433 174 A N 1.093 123.919 122.820 0.011 0.000 1.877 174 A HA -0.144 4.176 4.320 0.000 0.000 0.216 174 A C 2.388 180.000 177.584 0.047 0.000 1.186 174 A CA 1.819 53.875 52.037 0.032 0.000 0.620 174 A CB -0.749 18.262 19.000 0.019 0.000 0.822 174 A HN 0.444 nan 8.150 nan 0.000 0.443 175 A N -0.430 122.405 122.820 0.025 0.000 1.902 175 A HA -0.162 4.158 4.320 0.000 0.000 0.217 175 A C 2.256 179.876 177.584 0.059 0.000 1.181 175 A CA 1.511 53.568 52.037 0.033 0.000 0.623 175 A CB -0.457 18.549 19.000 0.011 0.000 0.818 175 A HN 0.542 nan 8.150 nan 0.000 0.443 176 R N -1.032 119.481 120.500 0.022 0.000 2.115 176 R HA -0.064 4.276 4.340 0.000 0.000 0.230 176 R C 2.164 178.608 176.300 0.240 0.000 1.111 176 R CA 1.604 57.731 56.100 0.045 0.000 0.976 176 R CB -0.618 29.483 30.300 -0.333 0.000 0.870 176 R HN 0.529 nan 8.270 nan 0.000 0.445 177 T N 1.001 115.679 114.554 0.207 0.000 2.746 177 T HA -0.137 4.213 4.350 0.000 0.000 0.267 177 T C 1.940 176.801 174.700 0.267 0.000 1.039 177 T CA 1.447 63.743 62.100 0.328 0.000 1.142 177 T CB -0.173 68.867 68.868 0.286 0.000 0.866 177 T HN 0.359 nan 8.240 nan 0.000 0.444 178 A N 1.282 124.209 122.820 0.177 0.000 1.902 178 A HA -0.117 4.203 4.320 0.000 0.000 0.217 178 A C 2.568 180.223 177.584 0.117 0.000 1.181 178 A CA 2.040 54.156 52.037 0.131 0.000 0.623 178 A CB -1.256 17.798 19.000 0.090 0.000 0.818 178 A HN 0.459 nan 8.150 nan 0.000 0.443 179 T N 0.224 114.862 114.554 0.139 0.000 2.746 179 T HA -0.112 4.238 4.350 0.000 0.000 0.267 179 T C 1.837 176.568 174.700 0.051 0.000 1.039 179 T CA 1.300 63.468 62.100 0.114 0.000 1.142 179 T CB -0.346 68.639 68.868 0.194 0.000 0.866 179 T HN 0.360 nan 8.240 nan 0.000 0.444 180 L N 0.440 121.720 121.223 0.095 0.000 2.017 180 L HA -0.049 4.291 4.340 0.000 0.000 0.208 180 L C 2.359 179.177 176.870 -0.086 0.000 1.073 180 L CA 1.606 56.393 54.840 -0.088 0.000 0.745 180 L CB -0.359 41.645 42.059 -0.092 0.000 0.894 180 L HN 0.305 nan 8.230 nan 0.000 0.432 181 I N -0.210 120.374 120.570 0.024 0.000 2.286 181 I HA -0.328 3.842 4.170 0.000 0.000 0.248 181 I C 2.466 178.593 176.117 0.016 0.000 1.115 181 I CA 1.545 62.878 61.300 0.054 0.000 1.392 181 I CB -0.188 37.905 38.000 0.154 0.000 1.065 181 I HN 0.402 nan 8.210 nan 0.000 0.418 182 E N 0.371 120.579 120.200 0.013 0.000 2.170 182 E HA -0.158 4.192 4.350 0.000 0.000 0.191 182 E C 2.009 178.589 176.600 -0.034 0.000 0.981 182 E CA 0.655 57.053 56.400 -0.003 0.000 0.830 182 E CB 0.259 29.965 29.700 0.010 0.000 0.775 182 E HN 0.531 nan 8.360 nan 0.000 0.470 183 Q N -0.592 119.172 119.800 -0.060 0.000 2.392 183 Q HA 0.229 4.569 4.340 0.000 0.000 0.219 183 Q C 0.549 176.476 176.000 -0.120 0.000 0.895 183 Q CA 0.255 56.004 55.803 -0.090 0.000 0.929 183 Q CB 1.551 30.224 28.738 -0.109 0.000 1.077 183 Q HN 0.285 nan 8.270 nan 0.000 0.532 184 G N 0.865 109.583 108.800 -0.137 0.000 2.796 184 G HA2 -0.299 3.662 3.960 0.000 0.000 0.571 184 G HA3 -0.299 3.662 3.960 0.000 0.000 0.571 184 G C -1.505 173.304 174.900 -0.152 0.000 1.370 184 G CA -0.579 44.444 45.100 -0.128 0.000 0.856 184 G HN 0.180 nan 8.290 nan 0.000 0.538 185 Y N 1.008 121.177 120.300 -0.218 0.000 2.376 185 Y HA 0.615 5.165 4.550 0.000 0.000 0.340 185 Y C -2.089 173.746 175.900 -0.108 0.000 0.965 185 Y CA -2.187 55.768 58.100 -0.242 0.000 1.078 185 Y CB 2.180 40.467 38.460 -0.289 0.000 1.193 185 Y HN 0.508 nan 8.280 nan 0.000 0.452 186 P HA 0.194 nan 4.420 nan 0.000 0.265 186 P C -1.268 176.217 177.300 0.308 0.000 1.187 186 P CA 0.532 63.694 63.100 0.104 0.000 0.766 186 P CB 0.639 32.327 31.700 -0.020 0.000 0.820 187 A N 2.946 125.941 122.820 0.292 0.000 2.485 187 A HA 0.845 5.165 4.320 0.000 0.000 0.292 187 A C -1.577 176.349 177.584 0.570 0.000 1.147 187 A CA -0.489 51.808 52.037 0.435 0.000 0.750 187 A CB 1.227 20.434 19.000 0.346 0.000 1.331 187 A HN 0.595 nan 8.150 nan 0.000 0.419 188 Y N -1.583 118.996 120.300 0.465 0.000 2.588 188 Y HA 0.815 5.365 4.550 0.000 0.000 0.343 188 Y C -0.497 175.459 175.900 0.095 0.000 1.065 188 Y CA -0.596 57.718 58.100 0.357 0.000 1.038 188 Y CB 1.427 40.106 38.460 0.366 0.000 1.297 188 Y HN 0.715 nan 8.280 nan 0.000 0.467 189 T N 0.787 115.212 114.554 -0.215 0.000 2.863 189 T HA 0.451 4.801 4.350 0.000 0.000 0.285 189 T C -0.062 174.493 174.700 -0.242 0.000 1.009 189 T CA -0.249 61.574 62.100 -0.461 0.000 0.989 189 T CB 1.449 69.729 68.868 -0.980 0.000 1.004 189 T HN 0.890 nan 8.240 nan 0.000 0.455 190 T N 2.389 116.751 114.554 -0.320 0.000 3.001 190 T HA 0.109 4.460 4.350 0.000 0.000 0.251 190 T C 2.097 176.305 174.700 -0.820 0.000 1.040 190 T CA 0.046 61.876 62.100 -0.451 0.000 0.985 190 T CB 0.108 68.732 68.868 -0.406 0.000 1.011 190 T HN 0.540 nan 8.240 nan 0.000 0.509 191 S N 2.544 117.929 115.700 -0.525 0.000 2.419 191 S HA -0.056 4.415 4.470 0.000 0.000 0.235 191 S C -0.833 173.608 174.600 -0.265 0.000 1.019 191 S CA 1.103 59.095 58.200 -0.346 0.000 0.982 191 S CB -0.783 62.338 63.200 -0.132 0.000 0.789 191 S HN 0.463 nan 8.310 nan 0.000 0.490 192 P HA 0.127 nan 4.420 nan 0.000 0.235 192 P C 1.103 178.357 177.300 -0.077 0.000 1.177 192 P CA 0.638 63.702 63.100 -0.060 0.000 0.785 192 P CB -0.097 31.555 31.700 -0.080 0.000 0.885 193 G N -1.571 107.011 108.800 -0.364 0.000 3.284 193 G HA2 0.012 3.972 3.960 0.000 0.000 0.236 193 G HA3 0.012 3.972 3.960 0.000 0.000 0.236 193 G C -0.304 174.410 174.900 -0.311 0.000 1.158 193 G CA -0.441 44.476 45.100 -0.305 0.000 0.774 193 G HN 0.165 nan 8.290 nan 0.000 0.545 194 W N -0.120 121.012 121.300 -0.279 0.000 2.257 194 W HA 0.182 4.842 4.660 0.000 0.000 0.337 194 W C 1.340 177.635 176.519 -0.374 0.000 1.321 194 W CA -1.324 55.742 57.345 -0.465 0.000 1.267 194 W CB 0.810 29.730 29.460 -0.901 0.000 1.187 194 W HN -0.027 nan 8.180 nan 0.000 0.565 195 L N 4.120 125.378 121.223 0.058 0.000 2.265 195 L HA -0.032 4.309 4.340 0.000 0.000 0.215 195 L C 2.114 179.004 176.870 0.035 0.000 1.117 195 L CA 2.170 57.033 54.840 0.037 0.000 0.782 195 L CB -0.995 41.093 42.059 0.048 0.000 0.914 195 L HN 0.668 nan 8.230 nan 0.000 0.441 196 G N -2.247 106.547 108.800 -0.011 0.000 2.650 196 G HA2 -0.156 3.804 3.960 0.000 0.000 0.214 196 G HA3 -0.156 3.804 3.960 0.000 0.000 0.214 196 G C 0.219 175.236 174.900 0.195 0.000 1.136 196 G CA -0.189 44.941 45.100 0.051 0.000 0.789 196 G HN 0.220 nan 8.290 nan 0.000 0.536 197 Y N 1.658 122.018 120.300 0.101 0.000 2.326 197 Y HA 0.359 4.909 4.550 0.000 0.000 0.333 197 Y C 1.306 177.238 175.900 0.052 0.000 1.240 197 Y CA -1.770 56.378 58.100 0.080 0.000 1.365 197 Y CB 0.651 39.168 38.460 0.096 0.000 1.289 197 Y HN 0.072 nan 8.280 nan 0.000 0.548 198 S N 0.376 116.190 115.700 0.191 0.000 2.600 198 S HA 0.080 4.550 4.470 0.000 0.000 0.265 198 S C 0.601 175.253 174.600 0.087 0.000 1.325 198 S CA -0.601 57.660 58.200 0.102 0.000 1.002 198 S CB 0.802 64.035 63.200 0.055 0.000 0.921 198 S HN 0.570 nan 8.310 nan 0.000 0.554 199 D N 1.101 121.535 120.400 0.055 0.000 2.149 199 D HA -0.072 4.568 4.640 0.000 0.000 0.198 199 D C 1.777 178.091 176.300 0.023 0.000 0.990 199 D CA 1.489 55.510 54.000 0.036 0.000 0.839 199 D CB -0.382 40.430 40.800 0.019 0.000 0.948 199 D HN 0.693 nan 8.370 nan 0.000 0.460 200 E N 0.630 120.839 120.200 0.016 0.000 2.077 200 E HA -0.143 4.207 4.350 0.000 0.000 0.193 200 E C 1.904 178.498 176.600 -0.010 0.000 0.989 200 E CA 0.887 57.288 56.400 0.002 0.000 0.800 200 E CB -0.148 29.550 29.700 -0.002 0.000 0.746 200 E HN 0.247 nan 8.360 nan 0.000 0.452 201 K N 0.207 120.596 120.400 -0.018 0.000 2.057 201 K HA -0.108 4.213 4.320 0.000 0.000 0.206 201 K C 2.050 178.636 176.600 -0.024 0.000 1.050 201 K CA 0.752 56.996 56.287 -0.071 0.000 0.935 201 K CB -0.147 32.246 32.500 -0.178 0.000 0.715 201 K HN 0.102 nan 8.250 nan 0.000 0.439 202 L N 0.903 122.157 121.223 0.051 0.000 1.989 202 L HA -0.179 4.162 4.340 0.000 0.000 0.211 202 L C 1.938 178.820 176.870 0.020 0.000 1.071 202 L CA 1.650 56.534 54.840 0.073 0.000 0.749 202 L CB -0.604 41.496 42.059 0.068 0.000 0.890 202 L HN -0.005 nan 8.230 nan 0.000 0.431 203 V N 0.214 120.132 119.914 0.007 0.000 2.295 203 V HA -0.293 3.827 4.120 0.000 0.000 0.246 203 V C 2.821 178.913 176.094 -0.004 0.000 1.049 203 V CA 2.194 64.492 62.300 -0.003 0.000 1.024 203 V CB -0.801 31.020 31.823 -0.004 0.000 0.648 203 V HN 0.587 nan 8.190 nan 0.000 0.447 204 R N -0.120 120.375 120.500 -0.009 0.000 2.083 204 R HA -0.162 4.178 4.340 0.000 0.000 0.237 204 R C 2.267 178.562 176.300 -0.009 0.000 1.137 204 R CA 1.839 57.932 56.100 -0.012 0.000 0.951 204 R CB -0.315 29.969 30.300 -0.026 0.000 0.851 204 R HN 0.454 nan 8.270 nan 0.000 0.434 205 L N 0.054 121.269 121.223 -0.013 0.000 2.141 205 L HA -0.052 4.288 4.340 0.000 0.000 0.209 205 L C 2.707 179.578 176.870 0.002 0.000 1.094 205 L CA 1.006 55.844 54.840 -0.004 0.000 0.763 205 L CB -0.508 41.553 42.059 0.003 0.000 0.908 205 L HN 0.351 nan 8.230 nan 0.000 0.437 206 A N 0.343 123.162 122.820 -0.002 0.000 1.902 206 A HA -0.207 4.114 4.320 0.000 0.000 0.217 206 A C 2.329 179.923 177.584 0.016 0.000 1.181 206 A CA 1.568 53.603 52.037 -0.004 0.000 0.623 206 A CB -0.280 18.713 19.000 -0.012 0.000 0.818 206 A HN 0.301 nan 8.150 nan 0.000 0.443 207 K N -0.323 120.086 120.400 0.015 0.000 2.057 207 K HA -0.131 4.189 4.320 0.000 0.000 0.206 207 K C 1.955 178.576 176.600 0.034 0.000 1.050 207 K CA 1.530 57.830 56.287 0.022 0.000 0.935 207 K CB -0.172 32.335 32.500 0.013 0.000 0.715 207 K HN 0.609 nan 8.250 nan 0.000 0.439 208 E N 0.576 120.796 120.200 0.034 0.000 2.110 208 E HA -0.176 4.175 4.350 0.000 0.000 0.193 208 E C 2.064 178.720 176.600 0.093 0.000 0.988 208 E CA 0.932 57.361 56.400 0.049 0.000 0.804 208 E CB -0.093 29.631 29.700 0.039 0.000 0.745 208 E HN 0.318 nan 8.360 nan 0.000 0.458 209 A N 1.023 123.902 122.820 0.097 0.000 1.877 209 A HA -0.163 4.158 4.320 0.000 0.000 0.216 209 A C 2.516 180.257 177.584 0.262 0.000 1.186 209 A CA 1.345 53.492 52.037 0.184 0.000 0.620 209 A CB -0.724 18.300 19.000 0.040 0.000 0.822 209 A HN 0.122 nan 8.150 nan 0.000 0.443 210 V N -0.156 119.845 119.914 0.145 0.000 2.427 210 V HA -0.215 3.906 4.120 0.000 0.000 0.248 210 V C 3.025 179.165 176.094 0.077 0.000 1.051 210 V CA 1.798 64.168 62.300 0.117 0.000 1.048 210 V CB -1.234 30.631 31.823 0.069 0.000 0.666 210 V HN 0.618 nan 8.190 nan 0.000 0.456 211 A N -0.245 122.613 122.820 0.062 0.000 1.972 211 A HA -0.241 4.079 4.320 0.000 0.000 0.219 211 A C 1.881 179.478 177.584 0.023 0.000 1.169 211 A CA 1.911 53.967 52.037 0.031 0.000 0.635 211 A CB -0.513 18.504 19.000 0.028 0.000 0.810 211 A HN 0.531 nan 8.150 nan 0.000 0.446 212 D N -1.434 119.001 120.400 0.058 0.000 2.363 212 D HA 0.208 4.848 4.640 0.000 0.000 0.226 212 D C 1.411 177.628 176.300 -0.138 0.000 1.020 212 D CA 1.205 55.205 54.000 0.001 0.000 0.892 212 D CB 0.129 40.981 40.800 0.088 0.000 0.900 212 D HN 0.636 nan 8.370 nan 0.000 0.531 213 G N 0.183 108.929 108.800 -0.091 0.000 2.179 213 G HA2 -0.247 3.713 3.960 0.000 0.000 0.220 213 G HA3 -0.247 3.713 3.960 0.000 0.000 0.220 213 G C 0.187 174.977 174.900 -0.184 0.000 0.990 213 G CA -0.568 44.436 45.100 -0.161 0.000 0.646 213 G HN 0.243 nan 8.290 nan 0.000 0.517 214 F N 1.435 121.380 119.950 -0.010 0.000 2.538 214 F HA 0.433 4.961 4.527 0.001 0.000 0.371 214 F C 1.885 177.713 175.800 0.046 0.000 1.087 214 F CA -0.136 57.878 58.000 0.022 0.000 1.250 214 F CB 0.709 39.732 39.000 0.038 0.000 1.110 214 F HN -0.117 nan 8.300 nan 0.000 0.570 215 R N 1.109 121.750 120.500 0.234 0.000 2.334 215 R HA 0.168 4.508 4.340 0.000 0.000 0.216 215 R C -0.369 176.045 176.300 0.191 0.000 0.905 215 R CA 0.316 56.515 56.100 0.165 0.000 1.064 215 R CB 0.238 30.608 30.300 0.117 0.000 1.046 215 R HN 0.577 nan 8.270 nan 0.000 0.508 216 T N 1.317 116.030 114.554 0.265 0.000 2.993 216 T HA 0.496 4.847 4.350 0.000 0.000 0.312 216 T C -0.396 174.432 174.700 0.213 0.000 1.115 216 T CA -0.640 61.592 62.100 0.219 0.000 1.027 216 T CB 2.230 71.272 68.868 0.290 0.000 1.116 216 T HN 0.155 nan 8.240 nan 0.000 0.464 217 I N -0.804 119.807 120.570 0.068 0.000 3.145 217 I HA 0.880 5.051 4.170 0.000 0.000 0.313 217 I C -1.199 174.861 176.117 -0.095 0.000 1.122 217 I CA -1.205 60.107 61.300 0.019 0.000 0.987 217 I CB 2.554 40.529 38.000 -0.040 0.000 1.236 217 I HN 0.464 nan 8.210 nan 0.000 0.453 218 K N 2.805 123.142 120.400 -0.105 0.000 2.468 218 K HA 0.680 5.001 4.320 0.000 0.000 0.252 218 K C -2.096 174.367 176.600 -0.228 0.000 0.932 218 K CA -0.600 55.559 56.287 -0.215 0.000 0.794 218 K CB 2.162 34.591 32.500 -0.119 0.000 1.241 218 K HN 0.616 nan 8.250 nan 0.000 0.428 219 L N 2.538 123.633 121.223 -0.213 0.000 2.346 219 L HA 0.579 4.920 4.340 0.000 0.000 0.274 219 L C -0.330 176.461 176.870 -0.130 0.000 1.007 219 L CA -0.368 54.369 54.840 -0.172 0.000 0.818 219 L CB 1.756 43.742 42.059 -0.120 0.000 1.284 219 L HN 0.798 nan 8.230 nan 0.000 0.424 220 A N 2.822 125.585 122.820 -0.094 0.000 2.388 220 A HA 0.701 5.022 4.320 0.000 0.000 0.257 220 A C -0.243 177.331 177.584 -0.016 0.000 1.095 220 A CA -0.110 51.906 52.037 -0.035 0.000 0.791 220 A CB 0.464 19.495 19.000 0.051 0.000 1.029 220 A HN 0.804 nan 8.150 nan 0.000 0.489 221 V N -1.132 118.759 119.914 -0.037 0.000 3.165 221 V HA 0.965 5.085 4.120 0.000 0.000 0.309 221 V C 0.584 176.627 176.094 -0.085 0.000 1.267 221 V CA -0.079 62.247 62.300 0.043 0.000 1.067 221 V CB 0.971 32.885 31.823 0.152 0.000 1.082 221 V HN 2.425 nan 8.190 nan 0.000 0.451 222 G N -0.853 107.973 108.800 0.044 0.000 2.255 222 G HA2 0.011 3.971 3.960 0.000 0.000 0.196 222 G HA3 0.011 3.971 3.960 0.000 0.000 0.196 222 G C 0.782 175.679 174.900 -0.006 0.000 0.998 222 G CA 0.925 45.858 45.100 -0.278 0.000 0.656 222 G HN 1.929 nan 8.290 nan 0.000 0.490 223 A N -0.396 122.561 122.820 0.228 0.000 1.924 223 A HA 0.501 4.821 4.320 0.000 0.000 0.211 223 A C 0.944 178.802 177.584 0.457 0.000 1.198 223 A CA 1.617 53.815 52.037 0.267 0.000 0.657 223 A CB 0.111 19.203 19.000 0.154 0.000 0.852 223 A HN 0.704 nan 8.150 nan 0.000 0.454 224 N N -0.446 118.564 118.700 0.518 0.000 2.519 224 N HA 0.146 4.886 4.740 0.000 0.000 0.291 224 N C 0.161 175.829 175.510 0.264 0.000 1.107 224 N CA -0.093 53.160 53.050 0.337 0.000 0.904 224 N CB 2.167 40.756 38.487 0.170 0.000 1.500 224 N HN -0.068 nan 8.380 nan 0.000 0.510 225 V N 4.339 124.122 119.914 -0.219 0.000 2.392 225 V HA -0.217 3.903 4.120 0.000 0.000 0.249 225 V C 2.077 178.061 176.094 -0.184 0.000 1.059 225 V CA 2.058 64.037 62.300 -0.533 0.000 1.051 225 V CB -0.081 31.013 31.823 -1.215 0.000 0.658 225 V HN 0.689 nan 8.190 nan 0.000 0.455 226 Q N -0.886 118.841 119.800 -0.122 0.000 2.079 226 Q HA -0.208 4.133 4.340 0.000 0.000 0.200 226 Q C 1.994 177.994 176.000 -0.001 0.000 0.974 226 Q CA 1.855 57.625 55.803 -0.055 0.000 0.840 226 Q CB -0.212 28.500 28.738 -0.043 0.000 0.898 226 Q HN 0.635 nan 8.270 nan 0.000 0.430 227 D N 0.745 121.168 120.400 0.039 0.000 2.117 227 D HA -0.138 4.502 4.640 0.000 0.000 0.197 227 D C 1.396 177.734 176.300 0.064 0.000 0.987 227 D CA 1.069 55.104 54.000 0.059 0.000 0.829 227 D CB -0.204 40.652 40.800 0.094 0.000 0.961 227 D HN 0.172 nan 8.370 nan 0.000 0.460 228 D N 0.277 120.755 120.400 0.131 0.000 2.117 228 D HA -0.079 4.561 4.640 0.000 0.000 0.197 228 D C 2.316 178.634 176.300 0.031 0.000 0.987 228 D CA 0.392 54.485 54.000 0.155 0.000 0.829 228 D CB -0.256 40.783 40.800 0.399 0.000 0.961 228 D HN 0.271 nan 8.370 nan 0.000 0.460 229 I N 0.523 121.109 120.570 0.027 0.000 2.179 229 I HA -0.242 3.929 4.170 0.000 0.000 0.242 229 I C 2.650 178.664 176.117 -0.173 0.000 1.088 229 I CA 0.894 62.192 61.300 -0.003 0.000 1.357 229 I CB -0.164 37.890 38.000 0.091 0.000 1.051 229 I HN -0.065 nan 8.210 nan 0.000 0.409 230 R N 1.107 121.556 120.500 -0.085 0.000 2.070 230 R HA -0.167 4.173 4.340 0.000 0.000 0.233 230 R C 2.512 178.724 176.300 -0.147 0.000 1.137 230 R CA 1.596 57.642 56.100 -0.090 0.000 0.945 230 R CB -0.103 30.178 30.300 -0.032 0.000 0.845 230 R HN 0.237 nan 8.270 nan 0.000 0.430 231 R N -0.584 119.846 120.500 -0.117 0.000 2.081 231 R HA -0.106 4.234 4.340 0.000 0.000 0.235 231 R C 2.497 178.671 176.300 -0.210 0.000 1.131 231 R CA 1.646 57.679 56.100 -0.113 0.000 0.960 231 R CB -0.386 29.886 30.300 -0.046 0.000 0.856 231 R HN 0.318 nan 8.270 nan 0.000 0.436 232 C N -0.113 118.981 119.300 -0.345 0.000 2.440 232 C HA -0.040 4.420 4.460 0.000 0.000 0.278 232 C C 2.665 177.208 174.990 -0.744 0.000 1.295 232 C CA 0.455 59.167 59.018 -0.511 0.000 1.738 232 C CB -0.790 26.589 27.740 -0.602 0.000 1.987 232 C HN 0.478 nan 8.230 nan 0.000 0.492 233 R N 0.605 120.523 120.500 -0.970 0.000 2.073 233 R HA -0.082 4.258 4.340 0.000 0.000 0.234 233 R C 2.095 178.279 176.300 -0.194 0.000 1.134 233 R CA 1.437 57.200 56.100 -0.562 0.000 0.952 233 R CB -0.333 29.816 30.300 -0.251 0.000 0.850 233 R HN 0.474 nan 8.270 nan 0.000 0.433 234 L N 0.283 121.405 121.223 -0.168 0.000 2.046 234 L HA -0.135 4.206 4.340 0.000 0.000 0.208 234 L C 2.750 179.580 176.870 -0.066 0.000 1.077 234 L CA 1.378 56.170 54.840 -0.081 0.000 0.747 234 L CB -0.557 41.465 42.059 -0.063 0.000 0.896 234 L HN 0.341 nan 8.230 nan 0.000 0.432 235 A N 0.117 122.881 122.820 -0.093 0.000 1.898 235 A HA -0.243 4.077 4.320 0.000 0.000 0.216 235 A C 2.332 179.892 177.584 -0.039 0.000 1.181 235 A CA 1.762 53.761 52.037 -0.063 0.000 0.620 235 A CB -0.477 18.475 19.000 -0.081 0.000 0.819 235 A HN 0.293 nan 8.150 nan 0.000 0.442 236 R N 0.463 120.938 120.500 -0.042 0.000 2.091 236 R HA -0.043 4.297 4.340 0.000 0.000 0.238 236 R C 2.051 178.369 176.300 0.030 0.000 1.136 236 R CA 2.089 58.201 56.100 0.020 0.000 0.959 236 R CB -1.004 29.353 30.300 0.095 0.000 0.856 236 R HN 0.380 nan 8.270 nan 0.000 0.437 237 A N 0.029 122.861 122.820 0.020 0.000 1.930 237 A HA 0.054 4.374 4.320 0.000 0.000 0.217 237 A C 2.338 179.930 177.584 0.014 0.000 1.175 237 A CA 1.600 53.652 52.037 0.024 0.000 0.627 237 A CB -0.877 18.135 19.000 0.020 0.000 0.815 237 A HN 0.487 nan 8.150 nan 0.000 0.443 238 A N 0.430 123.253 122.820 0.004 0.000 1.929 238 A HA 0.015 4.335 4.320 0.000 0.000 0.216 238 A C 2.060 179.650 177.584 0.011 0.000 1.176 238 A CA 1.392 53.431 52.037 0.004 0.000 0.628 238 A CB -0.605 18.393 19.000 -0.003 0.000 0.816 238 A HN 0.934 nan 8.150 nan 0.000 0.444 239 I N -4.414 116.164 120.570 0.013 0.000 3.427 239 I HA 0.473 4.643 4.170 0.000 0.000 0.288 239 I C 0.985 177.117 176.117 0.025 0.000 1.249 239 I CA 0.462 61.775 61.300 0.021 0.000 1.421 239 I CB -0.448 37.565 38.000 0.021 0.000 1.086 239 I HN 0.438 nan 8.210 nan 0.000 0.448 240 G N 2.510 111.325 108.800 0.025 0.000 2.712 240 G HA2 -0.162 3.798 3.960 0.000 0.000 0.683 240 G HA3 -0.162 3.798 3.960 0.000 0.000 0.683 240 G C -2.225 172.695 174.900 0.034 0.000 1.320 240 G CA -0.156 44.961 45.100 0.028 0.000 0.847 240 G HN 0.127 nan 8.290 nan 0.000 0.553 241 P HA 0.108 nan 4.420 nan 0.000 0.231 241 P C 0.491 177.813 177.300 0.035 0.000 1.168 241 P CA 1.377 64.499 63.100 0.036 0.000 0.779 241 P CB 0.223 31.941 31.700 0.030 0.000 0.844 242 D N -0.520 119.900 120.400 0.033 0.000 2.350 242 D HA 0.081 4.722 4.640 0.000 0.000 0.213 242 D C 0.857 177.183 176.300 0.044 0.000 1.031 242 D CA 0.279 54.300 54.000 0.035 0.000 0.861 242 D CB 0.478 41.295 40.800 0.028 0.000 0.926 242 D HN 0.186 nan 8.370 nan 0.000 0.520 243 I N 1.605 122.203 120.570 0.046 0.000 2.396 243 I HA 0.281 4.452 4.170 0.000 0.000 0.292 243 I C 0.702 176.850 176.117 0.052 0.000 0.999 243 I CA -1.167 60.167 61.300 0.056 0.000 1.310 243 I CB 0.977 39.010 38.000 0.055 0.000 1.404 243 I HN -0.207 nan 8.210 nan 0.000 0.496 244 A N 7.697 130.558 122.820 0.067 0.000 2.388 244 A HA 0.512 4.832 4.320 0.000 0.000 0.257 244 A C -0.089 177.485 177.584 -0.017 0.000 1.095 244 A CA -0.302 51.764 52.037 0.048 0.000 0.791 244 A CB 0.487 19.549 19.000 0.104 0.000 1.029 244 A HN 0.815 nan 8.150 nan 0.000 0.489 245 M N 3.145 122.701 119.600 -0.074 0.000 2.106 245 M HA 0.577 5.058 4.480 0.000 0.000 0.288 245 M C -0.410 175.715 176.300 -0.292 0.000 0.941 245 M CA -0.260 54.950 55.300 -0.150 0.000 0.934 245 M CB 1.293 33.848 32.600 -0.075 0.000 1.551 245 M HN 0.837 nan 8.290 nan 0.000 0.437 246 A N 3.763 126.250 122.820 -0.556 0.000 2.269 246 A HA 0.877 5.197 4.320 0.000 0.000 0.319 246 A C -0.762 176.489 177.584 -0.556 0.000 1.110 246 A CA -0.596 50.898 52.037 -0.904 0.000 0.847 246 A CB 1.094 18.810 19.000 -2.140 0.000 1.161 246 A HN 0.897 nan 8.150 nan 0.000 0.497 247 V N -1.355 118.275 119.914 -0.472 0.000 2.962 247 V HA 0.761 4.881 4.120 0.000 0.000 0.313 247 V C -1.270 174.701 176.094 -0.205 0.000 1.099 247 V CA -0.826 61.333 62.300 -0.234 0.000 0.971 247 V CB 2.084 33.867 31.823 -0.066 0.000 1.028 247 V HN 0.786 nan 8.190 nan 0.000 0.430 248 D N 1.941 122.255 120.400 -0.143 0.000 2.620 248 D HA 0.692 5.332 4.640 0.000 0.000 0.252 248 D C 0.398 176.566 176.300 -0.221 0.000 1.207 248 D CA 0.059 53.987 54.000 -0.121 0.000 0.884 248 D CB 2.265 43.042 40.800 -0.038 0.000 1.262 248 D HN 0.874 nan 8.370 nan 0.000 0.552 249 A N 3.576 126.155 122.820 -0.402 0.000 2.238 249 A HA 0.076 4.396 4.320 0.000 0.000 0.210 249 A C 0.890 178.122 177.584 -0.586 0.000 1.179 249 A CA -0.071 51.500 52.037 -0.778 0.000 0.827 249 A CB -0.232 17.735 19.000 -1.722 0.000 0.856 249 A HN 0.748 nan 8.150 nan 0.000 0.488 250 N N 0.245 118.739 118.700 -0.343 0.000 2.714 250 N HA -0.264 4.476 4.740 0.000 0.000 0.252 250 N C -0.299 175.039 175.510 -0.286 0.000 1.014 250 N CA 1.282 54.178 53.050 -0.257 0.000 0.735 250 N CB -1.254 37.128 38.487 -0.175 0.000 0.924 250 N HN 0.796 nan 8.380 nan 0.000 0.540 251 Q N -3.396 116.216 119.800 -0.315 0.000 2.424 251 Q HA -0.266 4.074 4.340 0.000 0.000 0.234 251 Q C 0.931 176.752 176.000 -0.298 0.000 0.748 251 Q CA 1.185 56.840 55.803 -0.248 0.000 1.286 251 Q CB -0.707 27.947 28.738 -0.140 0.000 1.494 251 Q HN 0.395 nan 8.270 nan 0.000 0.683 252 R N -0.105 120.090 120.500 -0.509 0.000 2.115 252 R HA -0.056 4.284 4.340 0.000 0.000 0.230 252 R C 0.729 176.878 176.300 -0.251 0.000 1.111 252 R CA 1.135 56.962 56.100 -0.454 0.000 0.976 252 R CB -0.049 29.863 30.300 -0.647 0.000 0.870 252 R HN 0.316 nan 8.270 nan 0.000 0.445 253 W N 1.299 122.482 121.300 -0.195 0.000 2.332 253 W HA 0.286 4.946 4.660 0.000 0.000 0.351 253 W C 0.168 176.625 176.519 -0.103 0.000 1.195 253 W CA -1.313 55.940 57.345 -0.153 0.000 1.334 253 W CB -0.053 29.290 29.460 -0.195 0.000 1.206 253 W HN -0.139 nan 8.180 nan 0.000 0.637 254 D N -0.708 119.810 120.400 0.197 0.000 2.432 254 D HA 0.231 4.872 4.640 0.000 0.000 0.258 254 D C 1.310 177.655 176.300 0.074 0.000 1.146 254 D CA -0.553 53.499 54.000 0.088 0.000 1.015 254 D CB 1.515 42.355 40.800 0.067 0.000 1.107 254 D HN -0.092 nan 8.370 nan 0.000 0.529 255 V N 0.737 120.667 119.914 0.026 0.000 2.233 255 V HA -0.170 3.950 4.120 0.000 0.000 0.247 255 V C 2.262 178.363 176.094 0.012 0.000 1.050 255 V CA 2.504 64.810 62.300 0.010 0.000 1.010 255 V CB -0.951 30.870 31.823 -0.003 0.000 0.637 255 V HN 0.750 nan 8.190 nan 0.000 0.444 256 G N 0.378 109.184 108.800 0.011 0.000 2.459 256 G HA2 -0.197 3.763 3.960 0.000 0.000 0.217 256 G HA3 -0.197 3.763 3.960 0.000 0.000 0.217 256 G C -0.189 174.704 174.900 -0.012 0.000 1.183 256 G CA 1.213 46.313 45.100 0.001 0.000 0.776 256 G HN 0.515 nan 8.290 nan 0.000 0.552 257 P HA -0.035 nan 4.420 nan 0.000 0.216 257 P C 2.203 179.404 177.300 -0.164 0.000 1.150 257 P CA 1.896 64.978 63.100 -0.029 0.000 0.837 257 P CB -0.124 31.604 31.700 0.046 0.000 0.786 258 A N -0.671 122.072 122.820 -0.129 0.000 1.902 258 A HA -0.195 4.126 4.320 0.000 0.000 0.217 258 A C 2.184 179.668 177.584 -0.167 0.000 1.181 258 A CA 1.527 53.439 52.037 -0.209 0.000 0.623 258 A CB -1.621 17.484 19.000 0.176 0.000 0.818 258 A HN 0.114 nan 8.150 nan 0.000 0.443 259 I N -0.056 120.476 120.570 -0.064 0.000 2.179 259 I HA -0.235 3.935 4.170 0.000 0.000 0.242 259 I C 1.795 177.879 176.117 -0.055 0.000 1.088 259 I CA 1.525 62.804 61.300 -0.036 0.000 1.357 259 I CB -0.476 37.514 38.000 -0.016 0.000 1.051 259 I HN 0.270 nan 8.210 nan 0.000 0.409 260 D N -0.031 120.326 120.400 -0.071 0.000 2.144 260 D HA -0.210 4.431 4.640 0.000 0.000 0.200 260 D C 1.837 178.079 176.300 -0.097 0.000 0.978 260 D CA 0.950 54.903 54.000 -0.079 0.000 0.833 260 D CB -0.307 40.444 40.800 -0.082 0.000 0.961 260 D HN 0.460 nan 8.370 nan 0.000 0.470 261 W N 1.041 122.104 121.300 -0.396 0.000 2.379 261 W HA -0.093 4.567 4.660 0.000 0.000 0.307 261 W C 1.799 178.126 176.519 -0.320 0.000 1.200 261 W CA 0.692 57.743 57.345 -0.490 0.000 1.297 261 W CB -0.165 28.625 29.460 -1.116 0.000 1.140 261 W HN -0.057 nan 8.180 nan 0.000 0.507 262 M N 0.173 119.777 119.600 0.007 0.000 2.296 262 M HA -0.140 4.340 4.480 0.000 0.000 0.265 262 M C 2.027 178.357 176.300 0.049 0.000 1.064 262 M CA 1.248 56.594 55.300 0.076 0.000 1.109 262 M CB -1.512 31.130 32.600 0.071 0.000 1.396 262 M HN 0.063 nan 8.290 nan 0.000 0.430 263 R N 0.562 121.061 120.500 -0.001 0.000 2.120 263 R HA -0.160 4.180 4.340 0.000 0.000 0.234 263 R C 1.687 177.967 176.300 -0.032 0.000 1.123 263 R CA 1.341 57.428 56.100 -0.021 0.000 0.975 263 R CB 0.029 30.305 30.300 -0.041 0.000 0.866 263 R HN 0.501 nan 8.270 nan 0.000 0.446 264 Q N -0.333 119.448 119.800 -0.033 0.000 2.432 264 Q HA 0.037 4.377 4.340 0.000 0.000 0.205 264 Q C 1.579 177.619 176.000 0.068 0.000 0.945 264 Q CA 0.536 56.319 55.803 -0.034 0.000 0.924 264 Q CB 0.445 29.117 28.738 -0.110 0.000 1.016 264 Q HN 0.380 nan 8.270 nan 0.000 0.503 265 L N -0.957 120.347 121.223 0.135 0.000 2.609 265 L HA 0.256 4.596 4.340 0.000 0.000 0.230 265 L C 2.157 179.133 176.870 0.178 0.000 1.087 265 L CA 0.121 55.140 54.840 0.297 0.000 0.874 265 L CB -0.131 42.125 42.059 0.328 0.000 1.114 265 L HN 0.092 nan 8.230 nan 0.000 0.488 266 A N 1.657 124.504 122.820 0.045 0.000 1.986 266 A HA -0.257 4.063 4.320 0.000 0.000 0.220 266 A C 2.124 179.649 177.584 -0.097 0.000 1.171 266 A CA 2.093 54.128 52.037 -0.003 0.000 0.640 266 A CB -0.481 18.510 19.000 -0.015 0.000 0.811 266 A HN 0.660 nan 8.150 nan 0.000 0.451 267 E N -1.181 118.851 120.200 -0.281 0.000 2.333 267 E HA -0.139 4.211 4.350 0.000 0.000 0.198 267 E C 0.974 177.294 176.600 -0.467 0.000 1.007 267 E CA 1.012 57.157 56.400 -0.425 0.000 0.845 267 E CB -0.501 28.839 29.700 -0.601 0.000 0.766 267 E HN 0.688 nan 8.360 nan 0.000 0.507 268 F N 1.286 121.240 119.950 0.006 0.000 2.732 268 F HA 0.155 4.682 4.527 0.000 0.000 0.303 268 F C -0.023 175.777 175.800 -0.000 0.000 1.110 268 F CA -0.075 57.927 58.000 0.003 0.000 1.355 268 F CB 0.160 39.163 39.000 0.005 0.000 1.081 268 F HN -0.130 nan 8.300 nan 0.000 0.565 269 D N 1.923 122.375 120.400 0.087 0.000 3.729 269 D HA -0.172 4.468 4.640 0.000 0.000 0.242 269 D C -0.717 175.622 176.300 0.066 0.000 1.091 269 D CA 0.151 54.188 54.000 0.063 0.000 1.096 269 D CB -0.628 40.206 40.800 0.056 0.000 0.901 269 D HN -0.044 nan 8.370 nan 0.000 0.416 270 I N 2.145 122.751 120.570 0.059 0.000 2.352 270 I HA 0.332 4.502 4.170 0.000 0.000 0.290 270 I C 1.995 178.124 176.117 0.021 0.000 1.036 270 I CA -0.038 61.278 61.300 0.028 0.000 1.336 270 I CB 0.403 38.434 38.000 0.051 0.000 1.407 270 I HN 0.410 nan 8.210 nan 0.000 0.497 271 A N 7.248 130.045 122.820 -0.039 0.000 1.898 271 A HA -0.013 4.307 4.320 0.000 0.000 0.216 271 A C 0.409 178.129 177.584 0.227 0.000 1.181 271 A CA 1.156 53.229 52.037 0.060 0.000 0.620 271 A CB -0.104 18.879 19.000 -0.028 0.000 0.819 271 A HN 0.866 nan 8.150 nan 0.000 0.442 272 W N -3.881 117.367 121.300 -0.086 0.000 3.189 272 W HA 0.528 5.188 4.660 0.001 0.000 0.314 272 W C -1.860 174.631 176.519 -0.046 0.000 1.204 272 W CA -1.504 55.785 57.345 -0.092 0.000 1.171 272 W CB -0.037 29.303 29.460 -0.201 0.000 1.394 272 W HN 0.150 nan 8.180 nan 0.000 0.568 273 I N 2.583 123.283 120.570 0.217 0.000 2.362 273 I HA 0.460 4.630 4.170 0.000 0.000 0.289 273 I C -0.429 175.840 176.117 0.254 0.000 0.994 273 I CA -0.821 60.562 61.300 0.140 0.000 1.158 273 I CB 1.308 39.421 38.000 0.189 0.000 1.315 273 I HN 0.580 nan 8.210 nan 0.000 0.451 274 E N 6.288 126.602 120.200 0.189 0.000 2.227 274 E HA 0.248 4.599 4.350 0.000 0.000 0.282 274 E C -0.532 176.105 176.600 0.062 0.000 1.015 274 E CA -0.260 56.274 56.400 0.223 0.000 0.823 274 E CB 0.571 30.440 29.700 0.281 0.000 1.081 274 E HN 0.639 nan 8.360 nan 0.000 0.396 275 E N 3.192 123.451 120.200 0.098 0.000 2.197 275 E HA -0.177 4.173 4.350 0.000 0.000 0.184 275 E C -1.850 174.713 176.600 -0.063 0.000 1.439 275 E CA 0.136 56.582 56.400 0.077 0.000 0.688 275 E CB -0.483 29.182 29.700 -0.059 0.000 1.090 275 E HN 0.566 nan 8.360 nan 0.000 0.341 276 P HA -0.142 nan 4.420 nan 0.000 0.220 276 P C 0.763 177.959 177.300 -0.173 0.000 1.148 276 P CA 1.268 64.308 63.100 -0.099 0.000 0.803 276 P CB 0.478 32.264 31.700 0.144 0.000 0.782 277 T N -1.967 112.442 114.554 -0.242 0.000 2.654 277 T HA 0.330 4.680 4.350 0.000 0.000 0.289 277 T C -0.880 173.779 174.700 -0.067 0.000 1.062 277 T CA -0.484 61.497 62.100 -0.197 0.000 1.041 277 T CB 1.022 69.742 68.868 -0.246 0.000 1.417 277 T HN -0.148 nan 8.240 nan 0.000 0.510 278 S N 1.954 117.634 115.700 -0.034 0.000 2.573 278 S HA 0.096 4.567 4.470 0.000 0.000 0.297 278 S C -1.341 173.330 174.600 0.118 0.000 1.280 278 S CA -0.530 57.683 58.200 0.023 0.000 1.061 278 S CB 0.517 63.721 63.200 0.006 0.000 0.812 278 S HN 0.533 nan 8.310 nan 0.000 0.500 279 P HA 0.025 nan 4.420 nan 0.000 0.234 279 P C 0.025 177.303 177.300 -0.036 0.000 1.167 279 P CA 0.661 63.773 63.100 0.019 0.000 0.763 279 P CB 0.091 31.806 31.700 0.025 0.000 0.835 280 D N -0.948 119.448 120.400 -0.007 0.000 2.379 280 D HA 0.003 4.643 4.640 0.000 0.000 0.208 280 D C 0.303 176.599 176.300 -0.008 0.000 1.065 280 D CA 0.447 54.424 54.000 -0.038 0.000 0.848 280 D CB -0.137 40.638 40.800 -0.042 0.000 0.949 280 D HN 0.080 nan 8.370 nan 0.000 0.509 281 D N 1.244 121.680 120.400 0.060 0.000 2.483 281 D HA 0.055 4.695 4.640 0.000 0.000 0.220 281 D C 1.412 177.803 176.300 0.151 0.000 1.173 281 D CA -0.169 53.879 54.000 0.079 0.000 0.964 281 D CB 0.916 41.745 40.800 0.049 0.000 1.046 281 D HN -0.216 nan 8.370 nan 0.000 0.517 282 V N 3.645 123.589 119.914 0.050 0.000 2.307 282 V HA -0.226 3.895 4.120 0.000 0.000 0.245 282 V C 2.528 178.657 176.094 0.058 0.000 1.045 282 V CA 1.219 63.536 62.300 0.029 0.000 1.024 282 V CB -0.362 31.442 31.823 -0.031 0.000 0.651 282 V HN 0.568 nan 8.190 nan 0.000 0.449 283 L N 0.417 121.660 121.223 0.034 0.000 2.083 283 L HA -0.061 4.280 4.340 0.000 0.000 0.209 283 L C 2.640 179.532 176.870 0.036 0.000 1.083 283 L CA 1.625 56.483 54.840 0.029 0.000 0.752 283 L CB -1.219 40.848 42.059 0.013 0.000 0.899 283 L HN 0.482 nan 8.230 nan 0.000 0.433 284 G N -1.219 107.601 108.800 0.033 0.000 2.402 284 G HA2 -0.230 3.731 3.960 0.000 0.000 0.216 284 G HA3 -0.230 3.731 3.960 0.000 0.000 0.216 284 G C 1.419 176.301 174.900 -0.030 0.000 1.162 284 G CA 0.368 45.462 45.100 -0.010 0.000 0.777 284 G HN 0.372 nan 8.290 nan 0.000 0.539 285 H N 0.641 119.713 119.070 0.003 0.000 2.387 285 H HA -0.003 4.553 4.556 0.000 0.000 0.299 285 H C 2.950 178.288 175.328 0.016 0.000 1.090 285 H CA 1.191 57.246 56.048 0.010 0.000 1.332 285 H CB -0.078 29.678 29.762 -0.009 0.000 1.386 285 H HN 0.401 nan 8.280 nan 0.000 0.516 286 A N 1.096 123.990 122.820 0.122 0.000 1.902 286 A HA -0.071 4.249 4.320 0.000 0.000 0.217 286 A C 2.678 180.293 177.584 0.052 0.000 1.181 286 A CA 1.488 53.569 52.037 0.074 0.000 0.623 286 A CB -0.665 18.367 19.000 0.053 0.000 0.818 286 A HN 0.428 nan 8.150 nan 0.000 0.443 287 A N -0.128 122.714 122.820 0.037 0.000 1.930 287 A HA -0.034 4.286 4.320 0.000 0.000 0.217 287 A C 2.106 179.704 177.584 0.023 0.000 1.175 287 A CA 1.438 53.489 52.037 0.023 0.000 0.627 287 A CB -0.549 18.458 19.000 0.012 0.000 0.815 287 A HN 0.490 nan 8.150 nan 0.000 0.443 288 I N -1.126 119.455 120.570 0.019 0.000 2.252 288 I HA -0.227 3.943 4.170 0.000 0.000 0.245 288 I C 2.706 178.851 176.117 0.047 0.000 1.102 288 I CA 1.553 62.868 61.300 0.025 0.000 1.385 288 I CB -0.308 37.698 38.000 0.009 0.000 1.064 288 I HN 0.358 nan 8.210 nan 0.000 0.414 289 R N 0.934 121.471 120.500 0.063 0.000 2.091 289 R HA -0.228 4.113 4.340 0.000 0.000 0.238 289 R C 2.285 178.616 176.300 0.050 0.000 1.136 289 R CA 1.726 57.867 56.100 0.068 0.000 0.959 289 R CB -0.132 30.214 30.300 0.076 0.000 0.856 289 R HN 0.408 nan 8.270 nan 0.000 0.437 290 Q N -1.163 118.662 119.800 0.042 0.000 2.170 290 Q HA -0.079 4.261 4.340 0.000 0.000 0.203 290 Q C 1.964 177.980 176.000 0.027 0.000 0.976 290 Q CA 1.430 57.253 55.803 0.033 0.000 0.858 290 Q CB -0.037 28.719 28.738 0.029 0.000 0.907 290 Q HN 0.551 nan 8.270 nan 0.000 0.433 291 G N 1.043 109.858 108.800 0.026 0.000 2.430 291 G HA2 -0.114 3.846 3.960 0.000 0.000 0.216 291 G HA3 -0.114 3.846 3.960 0.000 0.000 0.216 291 G C 1.382 176.294 174.900 0.020 0.000 1.146 291 G CA 0.591 45.703 45.100 0.019 0.000 0.793 291 G HN 0.488 nan 8.290 nan 0.000 0.537 292 I N -1.701 118.888 120.570 0.031 0.000 4.018 292 I HA 0.308 4.478 4.170 0.000 0.000 0.337 292 I C 0.876 177.016 176.117 0.039 0.000 1.327 292 I CA -0.301 61.020 61.300 0.035 0.000 1.100 292 I CB 0.053 38.084 38.000 0.050 0.000 1.025 292 I HN -0.120 nan 8.210 nan 0.000 0.396 293 T N 4.088 118.664 114.554 0.038 0.000 2.946 293 T HA 0.092 4.443 4.350 0.000 0.000 0.312 293 T C -0.826 173.892 174.700 0.030 0.000 1.066 293 T CA -0.533 61.589 62.100 0.038 0.000 1.138 293 T CB 0.487 69.376 68.868 0.036 0.000 1.014 293 T HN 0.350 nan 8.240 nan 0.000 0.544 294 P HA 0.151 nan 4.420 nan 0.000 0.255 294 P C -0.180 177.150 177.300 0.050 0.000 1.301 294 P CA -0.144 62.979 63.100 0.039 0.000 0.817 294 P CB -0.068 31.652 31.700 0.034 0.000 1.259 295 V N 3.181 123.127 119.914 0.054 0.000 2.450 295 V HA 0.074 4.194 4.120 0.000 0.000 0.281 295 V C -1.976 174.171 176.094 0.087 0.000 1.019 295 V CA -1.078 61.264 62.300 0.071 0.000 1.062 295 V CB -0.101 31.766 31.823 0.073 0.000 0.979 295 V HN 0.111 nan 8.190 nan 0.000 0.477 296 P HA 0.171 nan 4.420 nan 0.000 0.268 296 P C -0.670 176.714 177.300 0.141 0.000 1.205 296 P CA 0.077 63.238 63.100 0.102 0.000 0.771 296 P CB 0.632 32.391 31.700 0.098 0.000 0.858 297 V N 2.690 122.666 119.914 0.103 0.000 2.555 297 V HA 0.619 4.739 4.120 0.000 0.000 0.302 297 V C 0.199 176.333 176.094 0.065 0.000 1.038 297 V CA -0.243 62.137 62.300 0.133 0.000 0.887 297 V CB 1.743 33.652 31.823 0.143 0.000 0.991 297 V HN 0.738 nan 8.190 nan 0.000 0.434 298 S N 2.809 118.565 115.700 0.093 0.000 2.627 298 S HA 0.925 5.395 4.470 0.000 0.000 0.283 298 S C -0.711 173.896 174.600 0.012 0.000 1.127 298 S CA -0.448 57.737 58.200 -0.026 0.000 0.863 298 S CB 2.517 65.589 63.200 -0.214 0.000 1.121 298 S HN 0.960 nan 8.310 nan 0.000 0.479 299 T N -1.281 113.232 114.554 -0.067 0.000 2.775 299 T HA 0.650 5.000 4.350 0.000 0.000 0.320 299 T C 0.280 174.938 174.700 -0.071 0.000 1.597 299 T CA 0.406 62.431 62.100 -0.125 0.000 1.022 299 T CB 0.724 69.329 68.868 -0.439 0.000 1.485 299 T HN 2.100 nan 8.240 nan 0.000 0.494 300 G N 1.443 110.198 108.800 -0.076 0.000 3.511 300 G HA2 -0.092 3.869 3.960 0.000 0.000 0.218 300 G HA3 -0.092 3.869 3.960 0.000 0.000 0.218 300 G C 0.814 175.769 174.900 0.093 0.000 1.001 300 G CA 0.961 46.091 45.100 0.050 0.000 0.877 300 G HN 0.919 nan 8.290 nan 0.000 0.450 301 E N 0.122 120.310 120.200 -0.020 0.000 2.265 301 E HA -0.124 4.226 4.350 0.000 0.000 0.196 301 E C 1.497 178.144 176.600 0.079 0.000 0.996 301 E CA 1.377 57.694 56.400 -0.139 0.000 0.832 301 E CB -0.202 29.066 29.700 -0.719 0.000 0.756 301 E HN 0.484 nan 8.360 nan 0.000 0.491 302 H N 0.064 119.058 119.070 -0.127 0.000 2.755 302 H HA 0.238 4.795 4.556 0.000 0.000 0.273 302 H C -0.349 174.905 175.328 -0.123 0.000 1.055 302 H CA -0.133 55.854 56.048 -0.101 0.000 1.191 302 H CB 0.682 30.384 29.762 -0.099 0.000 1.536 302 H HN -0.021 nan 8.280 nan 0.000 0.529 303 T N 2.780 117.283 114.554 -0.086 0.000 2.793 303 T HA -0.060 4.290 4.350 0.000 0.000 0.289 303 T C 1.597 176.219 174.700 -0.130 0.000 0.956 303 T CA -0.064 61.847 62.100 -0.314 0.000 1.177 303 T CB 0.757 69.030 68.868 -0.992 0.000 0.897 303 T HN 0.547 nan 8.240 nan 0.000 0.533 304 Q N 3.157 122.892 119.800 -0.109 0.000 2.181 304 Q HA -0.164 4.177 4.340 0.000 0.000 0.205 304 Q C 0.499 176.544 176.000 0.074 0.000 0.980 304 Q CA 1.263 57.055 55.803 -0.018 0.000 0.862 304 Q CB -0.195 28.504 28.738 -0.065 0.000 0.905 304 Q HN 0.805 nan 8.270 nan 0.000 0.429 305 N N -1.380 117.357 118.700 0.061 0.000 3.261 305 N HA 0.059 4.799 4.740 0.000 0.000 0.248 305 N C 0.001 175.658 175.510 0.245 0.000 1.498 305 N CA -0.523 52.624 53.050 0.163 0.000 0.884 305 N CB 0.297 38.815 38.487 0.053 0.000 1.428 305 N HN 0.040 nan 8.380 nan 0.000 0.517 306 R N -0.539 120.103 120.500 0.237 0.000 2.193 306 R HA 0.008 4.348 4.340 0.000 0.000 0.229 306 R C 0.387 176.788 176.300 0.168 0.000 1.110 306 R CA 1.500 57.739 56.100 0.232 0.000 0.988 306 R CB -0.830 29.535 30.300 0.108 0.000 0.871 306 R HN 0.320 nan 8.270 nan 0.000 0.458 307 V N 1.219 121.194 119.914 0.101 0.000 2.453 307 V HA -0.152 3.968 4.120 0.000 0.000 0.247 307 V C 2.459 178.547 176.094 -0.010 0.000 1.048 307 V CA 1.285 63.611 62.300 0.044 0.000 1.049 307 V CB -0.040 31.770 31.823 -0.021 0.000 0.672 307 V HN 0.156 nan 8.190 nan 0.000 0.457 308 V N -0.924 118.961 119.914 -0.049 0.000 2.453 308 V HA -0.166 3.954 4.120 0.000 0.000 0.247 308 V C 2.161 178.164 176.094 -0.153 0.000 1.048 308 V CA 1.809 64.025 62.300 -0.140 0.000 1.049 308 V CB -0.714 30.973 31.823 -0.227 0.000 0.672 308 V HN 0.426 nan 8.190 nan 0.000 0.457 309 F N 0.729 120.632 119.950 -0.078 0.000 2.126 309 F HA -0.201 4.327 4.527 0.000 0.000 0.299 309 F C 2.512 178.223 175.800 -0.148 0.000 1.096 309 F CA 2.158 60.098 58.000 -0.100 0.000 1.255 309 F CB -0.244 38.712 39.000 -0.073 0.000 0.997 309 F HN 0.030 nan 8.300 nan 0.000 0.479 310 K N 0.466 120.902 120.400 0.060 0.000 2.032 310 K HA -0.271 4.049 4.320 0.000 0.000 0.209 310 K C 1.969 178.479 176.600 -0.150 0.000 1.048 310 K CA 1.966 58.208 56.287 -0.075 0.000 0.927 310 K CB -0.247 32.253 32.500 -0.000 0.000 0.712 310 K HN 0.336 nan 8.250 nan 0.000 0.441 311 Q N 0.378 120.124 119.800 -0.090 0.000 2.119 311 Q HA -0.100 4.240 4.340 0.000 0.000 0.201 311 Q C 2.248 178.184 176.000 -0.106 0.000 0.972 311 Q CA 1.301 57.051 55.803 -0.089 0.000 0.847 311 Q CB -0.042 28.654 28.738 -0.071 0.000 0.903 311 Q HN 0.342 nan 8.270 nan 0.000 0.433 312 L N 0.175 121.326 121.223 -0.119 0.000 2.083 312 L HA -0.215 4.125 4.340 0.000 0.000 0.209 312 L C 2.173 178.975 176.870 -0.113 0.000 1.083 312 L CA 0.994 55.767 54.840 -0.112 0.000 0.752 312 L CB -0.328 41.651 42.059 -0.133 0.000 0.899 312 L HN 0.269 nan 8.230 nan 0.000 0.433 313 L N -1.188 119.911 121.223 -0.206 0.000 2.072 313 L HA -0.182 4.159 4.340 0.000 0.000 0.205 313 L C 2.631 179.324 176.870 -0.295 0.000 1.079 313 L CA 1.093 55.723 54.840 -0.349 0.000 0.752 313 L CB -0.487 41.086 42.059 -0.811 0.000 0.906 313 L HN 0.264 nan 8.230 nan 0.000 0.436 314 Q N -0.013 119.615 119.800 -0.287 0.000 2.084 314 Q HA -0.164 4.176 4.340 0.000 0.000 0.202 314 Q C 2.201 178.215 176.000 0.023 0.000 0.978 314 Q CA 1.665 57.443 55.803 -0.042 0.000 0.844 314 Q CB -0.219 28.510 28.738 -0.015 0.000 0.898 314 Q HN 0.545 nan 8.270 nan 0.000 0.426 315 A N 0.005 122.817 122.820 -0.012 0.000 2.238 315 A HA 0.255 4.575 4.320 0.000 0.000 0.208 315 A C 1.337 178.937 177.584 0.027 0.000 1.177 315 A CA 0.648 52.692 52.037 0.012 0.000 0.804 315 A CB -0.400 18.600 19.000 0.001 0.000 0.823 315 A HN 0.440 nan 8.150 nan 0.000 0.482 316 G N -1.381 107.435 108.800 0.027 0.000 2.295 316 G HA2 -0.040 3.920 3.960 0.000 0.000 0.287 316 G HA3 -0.040 3.920 3.960 0.000 0.000 0.287 316 G C 0.788 175.710 174.900 0.038 0.000 1.055 316 G CA 0.489 45.615 45.100 0.043 0.000 0.922 316 G HN 1.399 nan 8.290 nan 0.000 0.503 317 A N -1.470 121.364 122.820 0.023 0.000 2.218 317 A HA 0.605 4.925 4.320 0.000 0.000 0.209 317 A C 1.266 178.877 177.584 0.045 0.000 1.168 317 A CA 1.638 53.702 52.037 0.046 0.000 0.804 317 A CB 0.196 19.217 19.000 0.035 0.000 0.834 317 A HN 1.949 nan 8.150 nan 0.000 0.482 318 V N -4.896 115.030 119.914 0.019 0.000 3.049 318 V HA 0.504 4.624 4.120 0.000 0.000 0.309 318 V C -0.392 175.710 176.094 0.014 0.000 1.148 318 V CA -0.677 61.629 62.300 0.010 0.000 0.990 318 V CB 1.787 33.596 31.823 -0.024 0.000 1.039 318 V HN 0.139 nan 8.190 nan 0.000 0.430 319 D N 1.179 121.576 120.400 -0.005 0.000 2.355 319 D HA 0.281 4.921 4.640 0.000 0.000 0.206 319 D C 0.148 176.418 176.300 -0.051 0.000 1.010 319 D CA 1.295 55.288 54.000 -0.012 0.000 0.875 319 D CB 1.221 42.015 40.800 -0.011 0.000 0.966 319 D HN 0.667 nan 8.370 nan 0.000 0.512 320 L N -1.187 119.968 121.223 -0.112 0.000 2.622 320 L HA 0.534 4.874 4.340 0.000 0.000 0.258 320 L C -1.143 175.656 176.870 -0.118 0.000 0.996 320 L CA -1.280 53.475 54.840 -0.141 0.000 0.858 320 L CB 1.811 43.622 42.059 -0.414 0.000 1.449 320 L HN -0.184 nan 8.230 nan 0.000 0.411 321 I N -1.364 119.196 120.570 -0.017 0.000 2.892 321 I HA 0.794 4.964 4.170 0.000 0.000 0.306 321 I C -0.831 175.342 176.117 0.094 0.000 1.078 321 I CA -0.805 60.529 61.300 0.057 0.000 1.032 321 I CB 2.150 40.261 38.000 0.184 0.000 1.229 321 I HN 0.718 nan 8.210 nan 0.000 0.435 322 Q N 3.450 123.340 119.800 0.151 0.000 2.226 322 Q HA 0.746 5.087 4.340 0.000 0.000 0.256 322 Q C -0.713 175.420 176.000 0.221 0.000 0.962 322 Q CA -0.474 55.444 55.803 0.192 0.000 0.887 322 Q CB 2.332 31.196 28.738 0.210 0.000 1.282 322 Q HN 0.704 nan 8.270 nan 0.000 0.449 323 I N -2.905 117.759 120.570 0.158 0.000 2.892 323 I HA 0.773 4.944 4.170 0.000 0.000 0.306 323 I C -1.149 175.064 176.117 0.160 0.000 1.078 323 I CA -1.058 60.298 61.300 0.094 0.000 1.032 323 I CB 2.612 40.569 38.000 -0.072 0.000 1.229 323 I HN 0.417 nan 8.210 nan 0.000 0.435 324 D N 2.292 122.787 120.400 0.158 0.000 2.896 324 D HA 0.637 5.277 4.640 0.000 0.000 0.241 324 D C 0.507 176.877 176.300 0.116 0.000 1.188 324 D CA -0.397 53.713 54.000 0.184 0.000 0.879 324 D CB 2.497 43.429 40.800 0.220 0.000 1.553 324 D HN 0.761 nan 8.370 nan 0.000 0.515 325 A N 2.888 125.763 122.820 0.091 0.000 2.019 325 A HA 0.131 4.452 4.320 0.000 0.000 0.219 325 A C 1.743 179.348 177.584 0.035 0.000 1.164 325 A CA 1.746 53.820 52.037 0.062 0.000 0.644 325 A CB -0.347 18.675 19.000 0.037 0.000 0.805 325 A HN 0.587 nan 8.150 nan 0.000 0.449 326 A N -1.475 121.378 122.820 0.054 0.000 2.288 326 A HA 0.310 4.630 4.320 0.000 0.000 0.216 326 A C 1.891 179.502 177.584 0.044 0.000 1.199 326 A CA 0.823 52.885 52.037 0.042 0.000 0.891 326 A CB -0.117 18.927 19.000 0.072 0.000 0.923 326 A HN 0.341 nan 8.150 nan 0.000 0.500 327 R N 0.624 121.169 120.500 0.076 0.000 2.090 327 R HA -0.023 4.317 4.340 0.000 0.000 0.228 327 R C 1.037 177.371 176.300 0.057 0.000 1.110 327 R CA 1.952 58.090 56.100 0.063 0.000 0.973 327 R CB -0.785 29.573 30.300 0.097 0.000 0.869 327 R HN 0.461 nan 8.270 nan 0.000 0.440 328 V N -3.461 116.489 119.914 0.060 0.000 3.488 328 V HA 0.604 4.724 4.120 0.000 0.000 0.291 328 V C 1.015 177.000 176.094 -0.181 0.000 1.163 328 V CA -0.511 61.824 62.300 0.058 0.000 0.971 328 V CB 0.474 32.386 31.823 0.149 0.000 1.245 328 V HN 0.067 nan 8.190 nan 0.000 0.456 329 G N -0.088 108.598 108.800 -0.190 0.000 3.353 329 G HA2 0.519 4.480 3.960 0.000 0.000 0.247 329 G HA3 0.519 4.480 3.960 0.000 0.000 0.247 329 G C 0.775 175.630 174.900 -0.075 0.000 1.025 329 G CA 0.596 45.518 45.100 -0.297 0.000 1.863 329 G HN 1.918 nan 8.290 nan 0.000 0.635 330 G N -0.631 108.135 108.800 -0.057 0.000 2.697 330 G HA2 -0.233 3.727 3.960 0.000 0.000 0.240 330 G HA3 -0.233 3.727 3.960 0.000 0.000 0.240 330 G C 1.085 175.945 174.900 -0.067 0.000 1.346 330 G CA -0.271 44.832 45.100 0.004 0.000 0.887 330 G HN 0.702 nan 8.290 nan 0.000 0.569 331 V N 0.564 120.345 119.914 -0.222 0.000 2.324 331 V HA -0.301 3.819 4.120 0.000 0.000 0.250 331 V C 2.796 178.649 176.094 -0.402 0.000 1.060 331 V CA 3.214 65.182 62.300 -0.554 0.000 1.042 331 V CB -1.002 29.874 31.823 -1.578 0.000 0.650 331 V HN 0.730 nan 8.190 nan 0.000 0.450 332 N N 0.229 118.828 118.700 -0.168 0.000 2.061 332 N HA -0.240 4.500 4.740 0.000 0.000 0.193 332 N C 1.864 177.352 175.510 -0.037 0.000 1.030 332 N CA 1.853 54.920 53.050 0.028 0.000 0.856 332 N CB -0.310 38.294 38.487 0.195 0.000 1.023 332 N HN 0.690 nan 8.380 nan 0.000 0.424 333 E N 0.146 120.331 120.200 -0.024 0.000 2.107 333 E HA -0.020 4.330 4.350 0.000 0.000 0.191 333 E C 1.281 177.841 176.600 -0.068 0.000 0.982 333 E CA 0.681 57.072 56.400 -0.015 0.000 0.809 333 E CB 0.071 29.807 29.700 0.060 0.000 0.756 333 E HN 0.276 nan 8.360 nan 0.000 0.459 334 N N 0.382 119.024 118.700 -0.096 0.000 2.309 334 N HA -0.120 4.620 4.740 0.000 0.000 0.182 334 N C 1.824 177.244 175.510 -0.149 0.000 1.018 334 N CA 0.730 53.700 53.050 -0.133 0.000 0.876 334 N CB -0.036 38.383 38.487 -0.113 0.000 0.972 334 N HN 0.266 nan 8.380 nan 0.000 0.434 335 L N 0.524 121.659 121.223 -0.147 0.000 2.093 335 L HA -0.089 4.251 4.340 0.000 0.000 0.208 335 L C 2.431 179.241 176.870 -0.100 0.000 1.085 335 L CA 0.958 55.727 54.840 -0.117 0.000 0.755 335 L CB -0.451 41.546 42.059 -0.105 0.000 0.904 335 L HN 0.092 nan 8.230 nan 0.000 0.435 336 A N 0.405 123.152 122.820 -0.122 0.000 1.902 336 A HA -0.170 4.150 4.320 0.000 0.000 0.217 336 A C 2.193 179.717 177.584 -0.100 0.000 1.181 336 A CA 1.451 53.410 52.037 -0.130 0.000 0.623 336 A CB -0.606 18.296 19.000 -0.164 0.000 0.818 336 A HN 0.343 nan 8.150 nan 0.000 0.443 337 I N -0.421 120.056 120.570 -0.154 0.000 2.226 337 I HA -0.253 3.917 4.170 0.000 0.000 0.245 337 I C 2.346 178.336 176.117 -0.211 0.000 1.100 337 I CA 1.091 62.232 61.300 -0.265 0.000 1.374 337 I CB -0.340 37.336 38.000 -0.540 0.000 1.057 337 I HN 0.276 nan 8.210 nan 0.000 0.413 338 L N 0.081 121.209 121.223 -0.159 0.000 2.083 338 L HA -0.211 4.129 4.340 0.000 0.000 0.209 338 L C 2.495 179.349 176.870 -0.026 0.000 1.083 338 L CA 1.261 56.047 54.840 -0.090 0.000 0.752 338 L CB -0.436 41.582 42.059 -0.069 0.000 0.899 338 L HN 0.265 nan 8.230 nan 0.000 0.433 339 L N -0.827 120.390 121.223 -0.011 0.000 2.093 339 L HA -0.208 4.132 4.340 0.000 0.000 0.208 339 L C 2.466 179.389 176.870 0.089 0.000 1.085 339 L CA 1.008 55.874 54.840 0.043 0.000 0.755 339 L CB -0.328 41.766 42.059 0.058 0.000 0.904 339 L HN 0.244 nan 8.230 nan 0.000 0.435 340 L N -0.505 120.766 121.223 0.080 0.000 2.046 340 L HA -0.205 4.135 4.340 0.000 0.000 0.208 340 L C 2.855 179.852 176.870 0.212 0.000 1.077 340 L CA 1.255 56.196 54.840 0.167 0.000 0.747 340 L CB -0.643 41.456 42.059 0.066 0.000 0.896 340 L HN 0.240 nan 8.230 nan 0.000 0.432 341 A N -0.205 122.663 122.820 0.080 0.000 1.902 341 A HA -0.172 4.149 4.320 0.000 0.000 0.217 341 A C 2.498 180.162 177.584 0.132 0.000 1.181 341 A CA 1.724 53.814 52.037 0.090 0.000 0.623 341 A CB -0.705 18.301 19.000 0.009 0.000 0.818 341 A HN 0.416 nan 8.150 nan 0.000 0.443 342 A N -0.332 122.547 122.820 0.098 0.000 1.877 342 A HA -0.157 4.164 4.320 0.000 0.000 0.216 342 A C 2.147 179.785 177.584 0.089 0.000 1.186 342 A CA 1.936 54.021 52.037 0.080 0.000 0.620 342 A CB -0.459 18.573 19.000 0.053 0.000 0.822 342 A HN 0.523 nan 8.150 nan 0.000 0.443 343 K N -1.621 118.849 120.400 0.116 0.000 2.097 343 K HA -0.106 4.215 4.320 0.000 0.000 0.206 343 K C 1.138 177.718 176.600 -0.034 0.000 1.049 343 K CA 1.462 57.775 56.287 0.044 0.000 0.933 343 K CB -0.232 32.305 32.500 0.061 0.000 0.717 343 K HN 0.424 nan 8.250 nan 0.000 0.442 344 F N 0.210 120.179 119.950 0.031 0.000 2.797 344 F HA 0.196 4.723 4.527 0.001 0.000 0.302 344 F C 1.210 177.028 175.800 0.030 0.000 1.130 344 F CA 0.713 58.733 58.000 0.033 0.000 1.387 344 F CB 0.479 39.503 39.000 0.039 0.000 1.107 344 F HN 0.236 nan 8.300 nan 0.000 0.577 345 G N 1.230 110.122 108.800 0.152 0.000 2.272 345 G HA2 -0.224 3.736 3.960 0.000 0.000 0.280 345 G HA3 -0.224 3.736 3.960 0.000 0.000 0.280 345 G C -0.369 174.600 174.900 0.115 0.000 1.067 345 G CA 0.157 45.319 45.100 0.102 0.000 0.902 345 G HN 0.165 nan 8.290 nan 0.000 0.500 346 V N 0.480 120.471 119.914 0.130 0.000 2.417 346 V HA 0.463 4.583 4.120 0.000 0.000 0.291 346 V C 1.043 177.194 176.094 0.096 0.000 1.024 346 V CA -1.037 61.326 62.300 0.106 0.000 0.861 346 V CB 1.519 33.403 31.823 0.102 0.000 0.985 346 V HN 0.482 nan 8.190 nan 0.000 0.436 347 R N 2.587 123.153 120.500 0.109 0.000 2.643 347 R HA 0.437 4.778 4.340 0.000 0.000 0.270 347 R C -0.805 175.605 176.300 0.183 0.000 1.061 347 R CA -0.211 55.981 56.100 0.153 0.000 1.107 347 R CB 0.813 31.268 30.300 0.257 0.000 0.999 347 R HN 0.512 nan 8.270 nan 0.000 0.460 348 V N 4.196 124.203 119.914 0.155 0.000 2.448 348 V HA 0.310 4.430 4.120 0.000 0.000 0.295 348 V C -0.867 175.323 176.094 0.160 0.000 1.025 348 V CA -0.494 61.894 62.300 0.147 0.000 0.859 348 V CB 1.228 33.077 31.823 0.042 0.000 0.988 348 V HN 0.521 nan 8.190 nan 0.000 0.431 349 F N 5.698 125.615 119.950 -0.056 0.000 2.359 349 F HA 0.482 5.009 4.527 0.000 0.000 0.370 349 F C -2.238 173.609 175.800 0.079 0.000 1.077 349 F CA -2.890 55.106 58.000 -0.006 0.000 1.136 349 F CB 1.347 40.225 39.000 -0.202 0.000 1.387 349 F HN 0.323 nan 8.300 nan 0.000 0.468 350 P HA -0.105 nan 4.420 nan 0.000 0.264 350 P C -0.238 177.185 177.300 0.204 0.000 1.183 350 P CA 0.445 63.615 63.100 0.117 0.000 0.763 350 P CB 0.308 31.980 31.700 -0.047 0.000 0.807 351 H N 2.961 122.101 119.070 0.116 0.000 2.525 351 H HA 0.454 5.010 4.556 0.000 0.000 0.339 351 H C -0.206 175.142 175.328 0.033 0.000 1.109 351 H CA -0.348 55.774 56.048 0.123 0.000 1.352 351 H CB 0.857 30.699 29.762 0.133 0.000 1.461 351 H HN 0.465 nan 8.280 nan 0.000 0.533 352 A N 3.536 125.973 122.820 -0.638 0.000 2.596 352 A HA 0.200 4.520 4.320 0.000 0.000 0.276 352 A C 0.935 178.152 177.584 -0.612 0.000 0.962 352 A CA 0.200 51.921 52.037 -0.526 0.000 1.010 352 A CB -0.192 18.675 19.000 -0.221 0.000 1.220 352 A HN 0.734 nan 8.150 nan 0.000 0.549 353 G N 0.659 108.933 108.800 -0.876 0.000 3.008 353 G HA2 0.522 4.482 3.960 0.000 0.000 0.272 353 G HA3 0.522 4.482 3.960 0.000 0.000 0.272 353 G C 0.335 174.873 174.900 -0.602 0.000 0.764 353 G CA 0.594 45.508 45.100 -0.310 0.000 2.029 353 G HN 1.170 nan 8.290 nan 0.000 0.587 354 G N -1.065 107.134 108.800 -1.001 0.000 2.489 354 G HA2 0.429 4.389 3.960 0.000 0.000 0.291 354 G HA3 0.429 4.389 3.960 0.000 0.000 0.291 354 G C -1.032 173.124 174.900 -1.241 0.000 1.487 354 G CA -0.557 43.188 45.100 -2.259 0.000 0.795 354 G HN 0.651 nan 8.290 nan 0.000 0.513 355 V N 1.166 120.545 119.914 -0.891 0.000 2.529 355 V HA 0.451 4.571 4.120 0.000 0.000 0.292 355 V C 1.622 177.629 176.094 -0.146 0.000 1.028 355 V CA 2.314 64.499 62.300 -0.192 0.000 1.074 355 V CB 0.645 32.564 31.823 0.159 0.000 0.958 355 V HN 2.766 nan 8.190 nan 0.000 0.481 356 G N 4.785 113.423 108.800 -0.270 0.000 2.212 356 G HA2 -0.304 3.656 3.960 0.000 0.000 0.266 356 G HA3 -0.304 3.656 3.960 0.000 0.000 0.266 356 G C 0.695 175.357 174.900 -0.396 0.000 0.978 356 G CA 0.702 45.446 45.100 -0.595 0.000 0.632 356 G HN 0.769 nan 8.290 nan 0.000 0.537 357 L N -0.205 120.808 121.223 -0.351 0.000 2.141 357 L HA -0.088 4.252 4.340 0.000 0.000 0.209 357 L C 3.054 179.807 176.870 -0.194 0.000 1.094 357 L CA 1.649 56.321 54.840 -0.279 0.000 0.763 357 L CB -0.726 41.096 42.059 -0.395 0.000 0.908 357 L HN 0.504 nan 8.230 nan 0.000 0.437 358 C N 0.087 119.299 119.300 -0.147 0.000 2.432 358 C HA -0.132 4.328 4.460 0.000 0.000 0.277 358 C C 2.644 177.632 174.990 -0.002 0.000 1.249 358 C CA 0.541 59.572 59.018 0.023 0.000 1.725 358 C CB -0.604 27.301 27.740 0.274 0.000 2.028 358 C HN 0.492 nan 8.230 nan 0.000 0.477 359 E N 0.964 121.119 120.200 -0.075 0.000 2.085 359 E HA -0.151 4.199 4.350 0.000 0.000 0.194 359 E C 2.026 178.682 176.600 0.094 0.000 0.994 359 E CA 1.160 57.528 56.400 -0.054 0.000 0.801 359 E CB -0.305 29.212 29.700 -0.305 0.000 0.743 359 E HN 0.592 nan 8.360 nan 0.000 0.453 360 L N -0.716 120.513 121.223 0.009 0.000 2.034 360 L HA -0.063 4.277 4.340 0.000 0.000 0.203 360 L C 2.356 179.410 176.870 0.307 0.000 1.074 360 L CA 0.568 55.486 54.840 0.130 0.000 0.748 360 L CB -0.583 41.352 42.059 -0.207 0.000 0.905 360 L HN 0.036 nan 8.230 nan 0.000 0.439 361 V N 0.858 120.814 119.914 0.069 0.000 2.720 361 V HA -0.284 3.836 4.120 0.000 0.000 0.256 361 V C 2.632 178.649 176.094 -0.127 0.000 1.082 361 V CA 2.007 64.311 62.300 0.006 0.000 1.101 361 V CB -0.494 31.292 31.823 -0.061 0.000 0.693 361 V HN 0.675 nan 8.190 nan 0.000 0.479 362 Q N -1.059 118.592 119.800 -0.250 0.000 2.135 362 Q HA -0.310 4.030 4.340 0.000 0.000 0.204 362 Q C 1.873 177.641 176.000 -0.387 0.000 0.981 362 Q CA 2.549 58.033 55.803 -0.532 0.000 0.856 362 Q CB -0.693 27.672 28.738 -0.621 0.000 0.902 362 Q HN 0.751 nan 8.270 nan 0.000 0.425 363 H N 0.743 119.771 119.070 -0.070 0.000 2.387 363 H HA -0.000 4.556 4.556 0.000 0.000 0.299 363 H C 1.994 177.310 175.328 -0.021 0.000 1.090 363 H CA 1.718 57.783 56.048 0.029 0.000 1.332 363 H CB 0.036 29.832 29.762 0.057 0.000 1.386 363 H HN 0.157 nan 8.280 nan 0.000 0.516 364 L N -0.354 120.900 121.223 0.051 0.000 2.056 364 L HA -0.100 4.240 4.340 0.000 0.000 0.207 364 L C 2.729 179.560 176.870 -0.066 0.000 1.078 364 L CA 0.834 55.662 54.840 -0.020 0.000 0.749 364 L CB -0.499 41.544 42.059 -0.026 0.000 0.901 364 L HN 0.332 nan 8.230 nan 0.000 0.433 365 A N -0.019 122.688 122.820 -0.188 0.000 1.902 365 A HA -0.202 4.118 4.320 0.000 0.000 0.217 365 A C 2.303 179.783 177.584 -0.175 0.000 1.181 365 A CA 1.669 53.531 52.037 -0.291 0.000 0.623 365 A CB -0.446 18.130 19.000 -0.706 0.000 0.818 365 A HN 0.328 nan 8.150 nan 0.000 0.443 366 M N -0.620 118.838 119.600 -0.237 0.000 2.175 366 M HA -0.084 4.397 4.480 0.000 0.000 0.264 366 M C 2.489 178.905 176.300 0.194 0.000 1.063 366 M CA 1.292 56.540 55.300 -0.087 0.000 1.119 366 M CB -0.329 31.976 32.600 -0.491 0.000 1.377 366 M HN 0.464 nan 8.290 nan 0.000 0.415 367 A N 0.205 123.154 122.820 0.216 0.000 1.930 367 A HA -0.228 4.093 4.320 0.000 0.000 0.217 367 A C 1.700 179.380 177.584 0.159 0.000 1.175 367 A CA 2.244 54.426 52.037 0.242 0.000 0.627 367 A CB -0.918 18.180 19.000 0.162 0.000 0.815 367 A HN 0.544 nan 8.150 nan 0.000 0.443 368 D N -1.377 119.096 120.400 0.123 0.000 2.097 368 D HA -0.206 4.434 4.640 0.000 0.000 0.195 368 D C 1.689 178.080 176.300 0.152 0.000 0.989 368 D CA 1.559 55.621 54.000 0.104 0.000 0.827 368 D CB -0.259 40.592 40.800 0.084 0.000 0.966 368 D HN 0.430 nan 8.370 nan 0.000 0.456 369 F N 0.260 120.268 119.950 0.097 0.000 2.095 369 F HA -0.206 4.321 4.527 0.001 0.000 0.298 369 F C 2.011 177.846 175.800 0.060 0.000 1.104 369 F CA 1.396 59.443 58.000 0.078 0.000 1.232 369 F CB -0.216 38.849 39.000 0.108 0.000 0.987 369 F HN -0.079 nan 8.300 nan 0.000 0.475 370 V N 0.162 120.087 119.914 0.019 0.000 2.270 370 V HA -0.206 3.914 4.120 0.000 0.000 0.245 370 V C 2.409 178.457 176.094 -0.077 0.000 1.043 370 V CA 1.934 64.194 62.300 -0.066 0.000 1.014 370 V CB -1.190 30.755 31.823 0.203 0.000 0.645 370 V HN 0.470 nan 8.190 nan 0.000 0.447 371 A N -1.942 120.878 122.820 0.000 0.000 2.303 371 A HA 0.366 4.686 4.320 0.000 0.000 0.217 371 A C 1.844 179.418 177.584 -0.016 0.000 1.205 371 A CA 0.351 52.383 52.037 -0.009 0.000 0.875 371 A CB 0.056 19.067 19.000 0.019 0.000 0.910 371 A HN 0.494 nan 8.150 nan 0.000 0.501 372 I N -1.702 118.857 120.570 -0.018 0.000 3.623 372 I HA 0.002 4.172 4.170 0.000 0.000 0.253 372 I C 2.442 178.546 176.117 -0.021 0.000 1.144 372 I CA 1.271 62.567 61.300 -0.007 0.000 1.461 372 I CB -0.042 37.967 38.000 0.015 0.000 1.575 372 I HN 0.299 nan 8.210 nan 0.000 0.445 373 T N -1.939 112.605 114.554 -0.017 0.000 3.033 373 T HA 0.235 4.586 4.350 0.000 0.000 0.248 373 T C 1.654 176.311 174.700 -0.072 0.000 1.040 373 T CA 0.746 62.837 62.100 -0.015 0.000 1.133 373 T CB 0.328 69.220 68.868 0.040 0.000 0.895 373 T HN 0.522 nan 8.240 nan 0.000 0.465 374 G N 1.795 110.480 108.800 -0.192 0.000 2.160 374 G HA2 -0.227 3.734 3.960 0.000 0.000 0.251 374 G HA3 -0.227 3.734 3.960 0.000 0.000 0.251 374 G C -0.185 174.672 174.900 -0.072 0.000 1.008 374 G CA 0.289 45.140 45.100 -0.415 0.000 0.724 374 G HN 0.719 nan 8.290 nan 0.000 0.514 375 K N -0.470 120.030 120.400 0.167 0.000 2.463 375 K HA 0.674 4.995 4.320 0.000 0.000 0.255 375 K C 0.896 177.598 176.600 0.169 0.000 0.942 375 K CA -0.305 56.099 56.287 0.195 0.000 0.814 375 K CB 1.436 33.982 32.500 0.076 0.000 1.122 375 K HN 0.336 nan 8.250 nan 0.000 0.425 376 M N -0.713 118.841 119.600 -0.077 0.000 2.086 376 M HA 0.233 4.714 4.480 0.000 0.000 0.301 376 M C 0.426 176.442 176.300 -0.474 0.000 1.034 376 M CA -0.088 54.873 55.300 -0.565 0.000 1.122 376 M CB 0.533 32.262 32.600 -1.452 0.000 1.969 376 M HN 0.177 nan 8.290 nan 0.000 0.670 377 E N 2.476 122.505 120.200 -0.285 0.000 2.418 377 E HA -0.102 4.248 4.350 0.000 0.000 0.197 377 E C 0.677 177.211 176.600 -0.109 0.000 1.026 377 E CA 1.311 57.597 56.400 -0.191 0.000 0.862 377 E CB -0.179 29.450 29.700 -0.119 0.000 0.799 377 E HN 0.786 nan 8.360 nan 0.000 0.518 378 D N 0.265 120.608 120.400 -0.096 0.000 2.349 378 D HA -0.034 4.607 4.640 0.000 0.000 0.214 378 D C 0.891 177.150 176.300 -0.068 0.000 1.063 378 D CA -0.037 53.948 54.000 -0.026 0.000 0.847 378 D CB 0.208 41.016 40.800 0.013 0.000 0.933 378 D HN 0.144 nan 8.370 nan 0.000 0.513 379 R N -1.059 119.281 120.500 -0.266 0.000 2.929 379 R HA 0.832 5.173 4.340 0.000 0.000 0.259 379 R C -1.514 174.426 176.300 -0.600 0.000 1.141 379 R CA -1.151 54.475 56.100 -0.790 0.000 0.991 379 R CB 0.981 30.827 30.300 -0.756 0.000 1.287 379 R HN -0.053 nan 8.270 nan 0.000 0.450 380 A N 0.382 122.722 122.820 -0.801 0.000 2.605 380 A HA 0.560 4.881 4.320 0.000 0.000 0.294 380 A C -1.349 176.316 177.584 0.135 0.000 1.062 380 A CA -0.886 51.135 52.037 -0.027 0.000 0.682 380 A CB 1.330 20.501 19.000 0.285 0.000 1.278 380 A HN 0.578 nan 8.150 nan 0.000 0.410 381 I N 1.449 122.146 120.570 0.212 0.000 2.353 381 I HA 0.298 4.468 4.170 0.000 0.000 0.293 381 I C 0.674 176.889 176.117 0.163 0.000 0.992 381 I CA -0.326 61.006 61.300 0.054 0.000 1.268 381 I CB 1.597 39.378 38.000 -0.366 0.000 1.387 381 I HN 0.871 nan 8.210 nan 0.000 0.478 382 E N 5.749 125.945 120.200 -0.007 0.000 2.404 382 E HA 0.190 4.540 4.350 0.000 0.000 0.261 382 E C -1.566 175.004 176.600 -0.050 0.000 1.074 382 E CA -0.136 55.977 56.400 -0.479 0.000 0.917 382 E CB 0.929 30.430 29.700 -0.332 0.000 0.965 382 E HN 0.447 nan 8.360 nan 0.000 0.433 383 F N 4.127 123.888 119.950 -0.314 0.000 2.591 383 F HA 0.464 4.991 4.527 0.001 0.000 0.309 383 F C -1.553 174.143 175.800 -0.172 0.000 1.098 383 F CA -0.734 57.200 58.000 -0.111 0.000 0.937 383 F CB 1.559 40.501 39.000 -0.097 0.000 1.250 383 F HN 0.253 nan 8.300 nan 0.000 0.447 384 V N 1.682 120.986 119.914 -1.017 0.000 2.709 384 V HA 0.469 4.590 4.120 0.000 0.000 0.308 384 V C -1.110 174.279 176.094 -1.176 0.000 1.062 384 V CA -0.718 61.159 62.300 -0.706 0.000 0.901 384 V CB 1.712 33.519 31.823 -0.027 0.000 1.003 384 V HN 0.791 nan 8.190 nan 0.000 0.425 385 D N 1.968 121.818 120.400 -0.918 0.000 3.057 385 D HA 0.328 4.968 4.640 0.000 0.000 0.246 385 D C -0.226 175.702 176.300 -0.620 0.000 1.238 385 D CA 0.207 53.877 54.000 -0.551 0.000 0.949 385 D CB -0.735 39.967 40.800 -0.163 0.000 1.086 385 D HN 0.891 nan 8.370 nan 0.000 0.487 386 H N -0.454 118.498 119.070 -0.196 0.000 2.806 386 H HA 0.364 4.920 4.556 0.001 0.000 0.367 386 H C 0.566 175.626 175.328 -0.447 0.000 1.136 386 H CA -1.079 54.830 56.048 -0.232 0.000 1.178 386 H CB 1.556 31.205 29.762 -0.188 0.000 1.718 386 H HN -0.117 nan 8.280 nan 0.000 0.540 387 L N 1.201 122.320 121.223 -0.173 0.000 4.367 387 L HA -0.344 3.996 4.340 0.000 0.000 0.424 387 L C 0.910 177.712 176.870 -0.113 0.000 1.152 387 L CA 0.413 55.133 54.840 -0.201 0.000 0.974 387 L CB -1.370 40.485 42.059 -0.340 0.000 2.012 387 L HN 0.850 nan 8.230 nan 0.000 0.922 388 H N 0.833 119.937 119.070 0.057 0.000 2.491 388 H HA -0.137 4.420 4.556 0.001 0.000 0.290 388 H C 2.156 177.571 175.328 0.146 0.000 1.050 388 H CA 1.697 57.834 56.048 0.148 0.000 1.309 388 H CB 0.049 29.859 29.762 0.080 0.000 1.392 388 H HN 0.791 nan 8.280 nan 0.000 0.554 389 Q N 0.691 120.503 119.800 0.019 0.000 2.364 389 Q HA -0.142 4.198 4.340 0.000 0.000 0.209 389 Q C 0.726 176.666 176.000 -0.101 0.000 0.977 389 Q CA 1.408 57.157 55.803 -0.089 0.000 0.885 389 Q CB -0.381 28.201 28.738 -0.261 0.000 0.941 389 Q HN 0.570 nan 8.270 nan 0.000 0.464 390 H N -1.049 118.069 119.070 0.080 0.000 2.539 390 H HA 0.221 4.777 4.556 0.000 0.000 0.267 390 H C -0.663 174.449 175.328 -0.360 0.000 0.982 390 H CA -0.223 55.780 56.048 -0.075 0.000 1.146 390 H CB 0.197 29.764 29.762 -0.325 0.000 1.382 390 H HN 0.133 nan 8.280 nan 0.000 0.577 391 F N -0.480 119.514 119.950 0.073 0.000 2.480 391 F HA 0.171 4.699 4.527 0.000 0.000 0.329 391 F C 0.585 176.245 175.800 -0.234 0.000 1.091 391 F CA -0.989 56.962 58.000 -0.082 0.000 0.972 391 F CB 1.420 40.431 39.000 0.019 0.000 1.150 391 F HN -0.140 nan 8.300 nan 0.000 0.467 392 L N 0.828 121.903 121.223 -0.246 0.000 2.141 392 L HA -0.120 4.221 4.340 0.000 0.000 0.209 392 L C 0.700 177.581 176.870 0.018 0.000 1.094 392 L CA 1.629 56.322 54.840 -0.244 0.000 0.763 392 L CB -0.405 41.524 42.059 -0.218 0.000 0.908 392 L HN 0.535 nan 8.230 nan 0.000 0.437 393 D N 0.214 120.676 120.400 0.102 0.000 2.517 393 D HA 0.177 4.817 4.640 0.000 0.000 0.301 393 D C -2.434 173.956 176.300 0.151 0.000 1.202 393 D CA -2.192 51.885 54.000 0.127 0.000 0.910 393 D CB 0.696 41.580 40.800 0.141 0.000 1.021 393 D HN -0.018 nan 8.370 nan 0.000 0.499 394 P HA 0.032 nan 4.420 nan 0.000 0.269 394 P C 0.386 177.719 177.300 0.055 0.000 1.215 394 P CA -0.501 62.686 63.100 0.145 0.000 0.780 394 P CB 1.072 32.874 31.700 0.170 0.000 0.898 395 V N 1.144 121.061 119.914 0.004 0.000 2.999 395 V HA 0.241 4.361 4.120 0.000 0.000 0.307 395 V C 0.361 176.385 176.094 -0.117 0.000 1.084 395 V CA -0.209 62.084 62.300 -0.012 0.000 1.155 395 V CB -0.364 31.509 31.823 0.083 0.000 0.975 395 V HN 0.439 nan 8.190 nan 0.000 0.490 396 R N 3.724 124.147 120.500 -0.128 0.000 2.439 396 R HA 0.657 4.997 4.340 0.000 0.000 0.310 396 R C -1.196 174.903 176.300 -0.335 0.000 0.955 396 R CA -0.705 55.277 56.100 -0.197 0.000 0.853 396 R CB 1.690 31.918 30.300 -0.120 0.000 1.171 396 R HN 0.634 nan 8.270 nan 0.000 0.449 397 I N 2.773 123.066 120.570 -0.462 0.000 2.377 397 I HA 0.271 4.441 4.170 0.000 0.000 0.293 397 I C -0.169 175.659 176.117 -0.481 0.000 0.987 397 I CA -0.391 60.542 61.300 -0.611 0.000 1.185 397 I CB 1.676 39.131 38.000 -0.909 0.000 1.341 397 I HN 0.623 nan 8.210 nan 0.000 0.455 398 Q N 6.018 125.542 119.800 -0.461 0.000 2.303 398 Q HA 0.317 4.657 4.340 0.000 0.000 0.267 398 Q C -0.838 174.895 176.000 -0.445 0.000 1.011 398 Q CA -0.472 55.036 55.803 -0.493 0.000 0.740 398 Q CB 0.591 29.062 28.738 -0.446 0.000 1.250 398 Q HN 0.760 nan 8.270 nan 0.000 0.458 399 H N 2.567 121.439 119.070 -0.330 0.000 2.692 399 H HA -0.244 4.312 4.556 0.000 0.000 0.316 399 H C 0.779 175.850 175.328 -0.428 0.000 1.176 399 H CA 0.540 56.398 56.048 -0.318 0.000 1.142 399 H CB -1.278 28.359 29.762 -0.208 0.000 1.475 399 H HN 1.130 nan 8.280 nan 0.000 0.423 400 G N 0.096 108.508 108.800 -0.647 0.000 2.153 400 G HA2 -0.351 3.609 3.960 0.000 0.000 0.252 400 G HA3 -0.351 3.609 3.960 0.000 0.000 0.252 400 G C 0.157 174.768 174.900 -0.480 0.000 0.994 400 G CA 0.506 45.057 45.100 -0.915 0.000 0.698 400 G HN 0.636 nan 8.290 nan 0.000 0.521 401 R N -1.358 118.907 120.500 -0.391 0.000 2.686 401 R HA 0.517 4.858 4.340 0.000 0.000 0.283 401 R C -0.915 175.243 176.300 -0.236 0.000 0.978 401 R CA -0.962 55.019 56.100 -0.199 0.000 0.897 401 R CB 1.328 31.549 30.300 -0.132 0.000 1.192 401 R HN 0.124 nan 8.270 nan 0.000 0.457 402 Y N 2.062 122.264 120.300 -0.164 0.000 2.377 402 Y HA 0.150 4.701 4.550 0.000 0.000 0.330 402 Y C 0.499 176.284 175.900 -0.192 0.000 1.108 402 Y CA 0.112 58.099 58.100 -0.189 0.000 1.308 402 Y CB 0.684 39.036 38.460 -0.181 0.000 1.216 402 Y HN 0.229 nan 8.280 nan 0.000 0.518 403 L N 3.799 124.989 121.223 -0.055 0.000 2.350 403 L HA 0.480 4.820 4.340 0.000 0.000 0.275 403 L C 0.342 177.161 176.870 -0.084 0.000 1.099 403 L CA -1.030 53.761 54.840 -0.082 0.000 0.808 403 L CB 0.925 42.928 42.059 -0.094 0.000 1.149 403 L HN 0.679 nan 8.230 nan 0.000 0.442 404 A N 4.642 127.383 122.820 -0.132 0.000 2.492 404 A HA 0.406 4.726 4.320 0.000 0.000 0.254 404 A C -2.233 175.382 177.584 0.052 0.000 1.091 404 A CA -0.977 50.933 52.037 -0.212 0.000 0.768 404 A CB -0.519 18.292 19.000 -0.314 0.000 1.028 404 A HN 0.423 nan 8.150 nan 0.000 0.498 405 P HA 0.134 nan 4.420 nan 0.000 0.268 405 P C 0.230 177.766 177.300 0.392 0.000 1.208 405 P CA 0.172 63.418 63.100 0.244 0.000 0.777 405 P CB 0.692 32.537 31.700 0.242 0.000 0.875 406 E N 0.258 120.608 120.200 0.249 0.000 2.367 406 E HA 0.053 4.403 4.350 0.000 0.000 0.204 406 E C 0.298 176.983 176.600 0.143 0.000 0.840 406 E CA 0.025 56.542 56.400 0.195 0.000 1.051 406 E CB 0.220 30.003 29.700 0.138 0.000 1.051 406 E HN 0.323 nan 8.360 nan 0.000 0.509 407 V N 1.099 121.099 119.914 0.143 0.000 2.963 407 V HA 0.210 4.330 4.120 0.000 0.000 0.306 407 V C -2.570 173.592 176.094 0.113 0.000 1.077 407 V CA -2.011 60.356 62.300 0.111 0.000 1.124 407 V CB 0.191 32.078 31.823 0.106 0.000 0.987 407 V HN -0.140 nan 8.190 nan 0.000 0.487 408 P HA 0.499 nan 4.420 nan 0.000 0.268 408 P C 0.448 177.783 177.300 0.059 0.000 1.205 408 P CA 1.843 64.969 63.100 0.043 0.000 0.771 408 P CB 0.504 32.217 31.700 0.022 0.000 0.858 409 G N 1.378 110.186 108.800 0.015 0.000 2.498 409 G HA2 -0.204 3.757 3.960 0.000 0.000 0.651 409 G HA3 -0.204 3.757 3.960 0.000 0.000 0.651 409 G C -0.286 174.588 174.900 -0.043 0.000 1.284 409 G CA -0.680 44.436 45.100 0.026 0.000 0.950 409 G HN 0.452 nan 8.290 nan 0.000 0.511 410 F N 0.944 120.807 119.950 -0.145 0.000 2.765 410 F HA 0.299 4.827 4.527 0.001 0.000 0.302 410 F C 1.819 177.589 175.800 -0.051 0.000 1.111 410 F CA 0.611 58.438 58.000 -0.288 0.000 1.359 410 F CB 0.133 39.085 39.000 -0.079 0.000 1.097 410 F HN 0.766 nan 8.300 nan 0.000 0.577 411 S N -0.280 115.598 115.700 0.297 0.000 3.476 411 S HA -0.306 4.164 4.470 0.000 0.000 0.309 411 S C 1.094 175.832 174.600 0.229 0.000 1.222 411 S CA 0.470 58.843 58.200 0.288 0.000 0.922 411 S CB -1.782 61.653 63.200 0.391 0.000 1.023 411 S HN 0.599 nan 8.310 nan 0.000 0.591 412 A N 0.452 123.412 122.820 0.233 0.000 2.081 412 A HA 0.205 4.525 4.320 0.000 0.000 0.214 412 A C 0.717 178.548 177.584 0.411 0.000 1.158 412 A CA 0.436 52.648 52.037 0.292 0.000 0.724 412 A CB -0.052 19.059 19.000 0.185 0.000 0.826 412 A HN 0.660 nan 8.150 nan 0.000 0.463 413 E N 0.471 120.749 120.200 0.130 0.000 2.480 413 E HA 0.180 4.530 4.350 0.000 0.000 0.258 413 E C -0.466 176.076 176.600 -0.097 0.000 0.984 413 E CA 0.247 56.509 56.400 -0.231 0.000 0.930 413 E CB 0.180 29.488 29.700 -0.654 0.000 0.936 413 E HN 0.457 nan 8.360 nan 0.000 0.466 414 M N 2.684 122.174 119.600 -0.184 0.000 2.537 414 M HA 0.234 4.715 4.480 0.000 0.000 0.324 414 M C -0.519 175.587 176.300 -0.323 0.000 1.187 414 M CA -0.746 54.275 55.300 -0.464 0.000 0.993 414 M CB 1.543 33.667 32.600 -0.792 0.000 1.666 414 M HN 0.522 nan 8.290 nan 0.000 0.461 415 H N 1.635 120.599 119.070 -0.178 0.000 2.929 415 H HA 0.027 4.584 4.556 0.000 0.000 0.317 415 H C -1.743 173.545 175.328 -0.068 0.000 1.031 415 H CA -0.754 55.250 56.048 -0.073 0.000 1.466 415 H CB 0.207 29.960 29.762 -0.013 0.000 1.482 415 H HN 0.367 nan 8.280 nan 0.000 0.561 416 P HA -0.238 nan 4.420 nan 0.000 0.217 416 P C 1.112 178.439 177.300 0.046 0.000 1.148 416 P CA 1.715 64.840 63.100 0.040 0.000 0.828 416 P CB 0.234 31.971 31.700 0.062 0.000 0.783 417 A N -0.972 121.896 122.820 0.080 0.000 1.969 417 A HA -0.146 4.175 4.320 0.000 0.000 0.218 417 A C 2.300 179.945 177.584 0.101 0.000 1.169 417 A CA 1.951 54.026 52.037 0.063 0.000 0.635 417 A CB -1.343 17.679 19.000 0.037 0.000 0.810 417 A HN 0.127 nan 8.150 nan 0.000 0.445 418 S N -0.178 115.626 115.700 0.174 0.000 2.371 418 S HA -0.046 4.425 4.470 0.000 0.000 0.224 418 S C 1.775 176.476 174.600 0.167 0.000 1.029 418 S CA 1.276 59.653 58.200 0.295 0.000 0.978 418 S CB -0.425 62.994 63.200 0.366 0.000 0.833 418 S HN 0.560 nan 8.310 nan 0.000 0.466 419 I N 1.795 122.374 120.570 0.015 0.000 2.226 419 I HA -0.198 3.973 4.170 0.000 0.000 0.245 419 I C 2.681 178.796 176.117 -0.002 0.000 1.100 419 I CA 1.100 62.360 61.300 -0.067 0.000 1.374 419 I CB -0.466 37.409 38.000 -0.209 0.000 1.057 419 I HN 0.260 nan 8.210 nan 0.000 0.413 420 A N 0.310 123.133 122.820 0.005 0.000 1.930 420 A HA -0.252 4.068 4.320 0.000 0.000 0.217 420 A C 2.317 179.887 177.584 -0.023 0.000 1.175 420 A CA 1.943 53.985 52.037 0.008 0.000 0.627 420 A CB -0.537 18.468 19.000 0.008 0.000 0.815 420 A HN 0.522 nan 8.150 nan 0.000 0.443 421 E N -1.578 118.576 120.200 -0.077 0.000 2.112 421 E HA -0.053 4.297 4.350 0.000 0.000 0.190 421 E C 0.839 177.167 176.600 -0.454 0.000 0.979 421 E CA 0.793 57.015 56.400 -0.297 0.000 0.814 421 E CB -0.097 29.334 29.700 -0.449 0.000 0.762 421 E HN 0.614 nan 8.360 nan 0.000 0.460 422 F N 0.654 120.600 119.950 -0.007 0.000 2.653 422 F HA 0.302 4.829 4.527 0.000 0.000 0.304 422 F C 0.545 176.452 175.800 0.178 0.000 1.092 422 F CA -0.515 57.489 58.000 0.007 0.000 1.279 422 F CB 0.815 39.515 39.000 -0.501 0.000 1.044 422 F HN -0.217 nan 8.300 nan 0.000 0.564 423 S N 0.542 116.384 115.700 0.236 0.000 2.549 423 S HA 0.008 4.478 4.470 0.000 0.000 0.286 423 S C -0.743 174.007 174.600 0.249 0.000 1.314 423 S CA -0.047 58.270 58.200 0.194 0.000 1.062 423 S CB 0.177 63.465 63.200 0.146 0.000 0.865 423 S HN 0.280 nan 8.310 nan 0.000 0.498 424 Y N 5.597 125.868 120.300 -0.048 0.000 2.360 424 Y HA 0.473 5.024 4.550 0.000 0.000 0.337 424 Y C -1.786 174.036 175.900 -0.130 0.000 1.039 424 Y CA -1.999 55.949 58.100 -0.253 0.000 1.109 424 Y CB 1.630 39.741 38.460 -0.582 0.000 1.201 424 Y HN 0.442 nan 8.280 nan 0.000 0.458 425 P HA 0.158 nan 4.420 nan 0.000 0.274 425 P C -0.405 176.715 177.300 -0.300 0.000 1.352 425 P CA 0.340 62.827 63.100 -1.021 0.000 0.947 425 P CB 0.756 31.638 31.700 -1.363 0.000 1.437 426 D N 0.316 120.631 120.400 -0.143 0.000 2.339 426 D HA 0.082 4.722 4.640 0.000 0.000 0.217 426 D C 1.292 177.606 176.300 0.022 0.000 1.050 426 D CA 0.282 54.254 54.000 -0.048 0.000 0.856 426 D CB 0.106 40.881 40.800 -0.041 0.000 0.922 426 D HN 0.150 nan 8.370 nan 0.000 0.518 427 G N 0.839 109.700 108.800 0.102 0.000 2.544 427 G HA2 -0.006 3.955 3.960 0.000 0.000 0.242 427 G HA3 -0.006 3.955 3.960 0.000 0.000 0.242 427 G C 1.156 176.084 174.900 0.046 0.000 1.247 427 G CA -0.346 44.819 45.100 0.109 0.000 0.840 427 G HN -0.044 nan 8.290 nan 0.000 0.578 428 R N 1.586 122.062 120.500 -0.041 0.000 2.133 428 R HA -0.244 4.096 4.340 0.000 0.000 0.245 428 R C 2.075 178.289 176.300 -0.143 0.000 1.137 428 R CA 2.558 58.604 56.100 -0.091 0.000 0.947 428 R CB -0.964 29.268 30.300 -0.114 0.000 0.865 428 R HN 0.619 nan 8.270 nan 0.000 0.437 429 F N -0.801 118.919 119.950 -0.384 0.000 2.102 429 F HA -0.146 4.381 4.527 0.001 0.000 0.298 429 F C 1.579 177.142 175.800 -0.396 0.000 1.105 429 F CA 1.875 59.578 58.000 -0.495 0.000 1.239 429 F CB -0.450 38.033 39.000 -0.862 0.000 0.991 429 F HN 0.110 nan 8.300 nan 0.000 0.474 430 W N 0.469 121.714 121.300 -0.092 0.000 2.388 430 W HA -0.081 4.579 4.660 0.000 0.000 0.294 430 W C 2.631 179.024 176.519 -0.210 0.000 1.212 430 W CA 1.777 59.048 57.345 -0.123 0.000 1.271 430 W CB -0.917 28.601 29.460 0.096 0.000 1.126 430 W HN 0.025 nan 8.180 nan 0.000 0.535 431 V N -1.514 118.401 119.914 0.002 0.000 2.407 431 V HA -0.245 3.875 4.120 0.000 0.000 0.248 431 V C 1.633 177.660 176.094 -0.112 0.000 1.055 431 V CA 2.152 64.422 62.300 -0.050 0.000 1.049 431 V CB -0.995 30.797 31.823 -0.051 0.000 0.662 431 V HN 0.235 nan 8.190 nan 0.000 0.455 432 E N 0.326 120.404 120.200 -0.204 0.000 2.072 432 E HA -0.181 4.169 4.350 0.000 0.000 0.190 432 E C 2.116 178.549 176.600 -0.278 0.000 0.982 432 E CA 1.275 57.538 56.400 -0.228 0.000 0.803 432 E CB -0.285 29.259 29.700 -0.260 0.000 0.755 432 E HN 0.756 nan 8.360 nan 0.000 0.453 433 D N 0.871 120.990 120.400 -0.469 0.000 2.097 433 D HA -0.147 4.494 4.640 0.000 0.000 0.197 433 D C 1.874 178.101 176.300 -0.121 0.000 0.984 433 D CA 0.742 54.491 54.000 -0.418 0.000 0.826 433 D CB 0.218 40.542 40.800 -0.793 0.000 0.973 433 D HN 0.073 nan 8.370 nan 0.000 0.460 434 L N 0.925 122.136 121.223 -0.021 0.000 2.456 434 L HA 0.050 4.391 4.340 0.000 0.000 0.224 434 L C 1.516 178.384 176.870 -0.004 0.000 1.148 434 L CA 0.381 55.249 54.840 0.047 0.000 0.825 434 L CB -1.457 40.647 42.059 0.074 0.000 0.937 434 L HN -0.015 nan 8.230 nan 0.000 0.450 435 A N 0.000 122.794 122.820 -0.044 0.000 2.254 435 A HA 0.000 4.320 4.320 0.000 0.000 0.244 435 A CA 0.000 52.012 52.037 -0.042 0.000 0.836 435 A CB 0.000 18.966 19.000 -0.057 0.000 0.831 435 A HN 0.000 nan 8.150 nan 0.000 0.486