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 1epv_1_A DATA FIRST_RESID 2 DATA SEQUENCE NDFHRDTWAE VDLDAIYDNV ENLRRLLPDD THIMAVVKAN AYGHGDVQVA DATA SEQUENCE RTALEAGASR LAVAFLDEAL ALREKGIEAP ILVLGASRPA DAALAAQQRI DATA SEQUENCE ALTVFRSDWL EEASALYSGP FPIHFHLXMD TGMGRLGVKD EEETKRIVAL DATA SEQUENCE IERHPHFVLE GLYTHFATAD EVNTDYFSYQ YTRFLHMLEW LPSRPPLVHC DATA SEQUENCE ANSAASLRFP DRTFNMVRFG IAMYGLAPSP GIKPLLPYPL KEAFSLHSRL DATA SEQUENCE VHVKKLQPGE KVSYGATYTA QTEEWIGTIP IGYADGWLRR LQHFHVLVDG DATA SEQUENCE QKAPIVGRIC MDQCMIRLPG PLPVGTKVTL IGRQGDEVIS IDDVARHLET DATA SEQUENCE INYEVPCTIS YRVPRIFFRH KRIMEVRNAI GR 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 N HA 0.000 nan 4.740 nan 0.000 0.220 2 N C 0.000 175.531 175.510 0.034 0.000 1.280 2 N CA 0.000 53.072 53.050 0.037 0.000 0.885 2 N CB 0.000 38.521 38.487 0.056 0.000 1.341 3 D N -0.054 120.357 120.400 0.019 0.000 2.552 3 D HA 0.690 5.331 4.640 0.000 0.000 0.239 3 D C -1.139 175.116 176.300 -0.075 0.000 1.139 3 D CA -0.004 53.963 54.000 -0.056 0.000 0.914 3 D CB 1.596 42.301 40.800 -0.159 0.000 1.461 3 D HN 0.325 nan 8.370 nan 0.000 0.462 4 F N -1.353 118.329 119.950 -0.446 0.000 2.613 4 F HA 0.536 5.063 4.527 0.000 0.000 0.310 4 F C -0.391 175.102 175.800 -0.512 0.000 1.085 4 F CA -0.727 57.006 58.000 -0.444 0.000 0.945 4 F CB 1.288 40.178 39.000 -0.184 0.000 1.298 4 F HN 0.312 nan 8.300 nan 0.000 0.455 5 H N 0.043 119.170 119.070 0.096 0.000 2.567 5 H HA 0.385 4.942 4.556 0.000 0.000 0.267 5 H C -0.321 175.036 175.328 0.048 0.000 1.148 5 H CA -0.441 55.596 56.048 -0.018 0.000 1.031 5 H CB 0.628 30.386 29.762 -0.007 0.000 1.691 5 H HN 0.557 nan 8.280 nan 0.000 0.588 6 R N 0.752 121.400 120.500 0.246 0.000 2.744 6 R HA 0.176 4.517 4.340 0.000 0.000 0.279 6 R C -1.269 175.219 176.300 0.312 0.000 0.977 6 R CA -0.746 55.485 56.100 0.218 0.000 0.906 6 R CB 1.256 31.666 30.300 0.183 0.000 1.197 6 R HN 0.091 nan 8.270 nan 0.000 0.463 7 D N 3.052 123.603 120.400 0.251 0.000 2.741 7 D HA 0.175 4.815 4.640 0.000 0.000 0.233 7 D C -0.983 175.634 176.300 0.529 0.000 1.160 7 D CA 0.418 54.646 54.000 0.379 0.000 1.003 7 D CB 0.984 41.934 40.800 0.251 0.000 1.064 7 D HN 0.387 nan 8.370 nan 0.000 0.503 8 T N 1.143 116.053 114.554 0.592 0.000 3.237 8 T HA 0.463 4.813 4.350 0.000 0.000 0.319 8 T C -0.986 173.912 174.700 0.330 0.000 1.037 8 T CA -0.926 61.358 62.100 0.306 0.000 1.048 8 T CB 1.031 69.935 68.868 0.060 0.000 1.081 8 T HN 0.368 nan 8.240 nan 0.000 0.455 9 W N 1.761 122.980 121.300 -0.136 0.000 3.074 9 W HA 0.855 5.515 4.660 0.000 0.000 0.332 9 W C -1.724 174.660 176.519 -0.224 0.000 1.253 9 W CA -1.432 55.738 57.345 -0.292 0.000 1.180 9 W CB 0.752 29.979 29.460 -0.390 0.000 1.445 9 W HN 0.765 nan 8.180 nan 0.000 0.573 10 A N 1.436 124.080 122.820 -0.294 0.000 2.337 10 A HA 0.761 5.081 4.320 0.000 0.000 0.329 10 A C -0.907 176.460 177.584 -0.363 0.000 1.146 10 A CA -0.827 50.885 52.037 -0.543 0.000 0.800 10 A CB 1.229 19.827 19.000 -0.670 0.000 1.220 10 A HN 0.662 nan 8.150 nan 0.000 0.472 11 E N 0.677 120.663 120.200 -0.358 0.000 2.195 11 E HA 0.562 4.912 4.350 0.000 0.000 0.271 11 E C -1.370 175.098 176.600 -0.220 0.000 0.923 11 E CA -0.851 55.517 56.400 -0.054 0.000 0.790 11 E CB 2.412 32.271 29.700 0.266 0.000 1.155 11 E HN 0.317 nan 8.360 nan 0.000 0.402 12 V N 2.187 122.069 119.914 -0.054 0.000 2.444 12 V HA 0.132 4.253 4.120 0.000 0.000 0.294 12 V C -0.706 175.559 176.094 0.286 0.000 1.022 12 V CA -0.811 61.547 62.300 0.096 0.000 0.850 12 V CB 1.773 33.669 31.823 0.121 0.000 0.992 12 V HN 0.638 nan 8.190 nan 0.000 0.426 13 D N 4.241 124.792 120.400 0.253 0.000 2.380 13 D HA 0.298 4.938 4.640 0.000 0.000 0.230 13 D C 0.849 177.295 176.300 0.243 0.000 1.154 13 D CA -0.138 54.004 54.000 0.235 0.000 0.859 13 D CB 1.431 42.300 40.800 0.115 0.000 1.045 13 D HN 0.447 nan 8.370 nan 0.000 0.495 14 L N 2.615 123.993 121.223 0.259 0.000 2.465 14 L HA -0.043 4.298 4.340 0.000 0.000 0.224 14 L C 1.321 178.271 176.870 0.133 0.000 1.145 14 L CA 0.383 55.342 54.840 0.199 0.000 0.834 14 L CB 0.053 42.217 42.059 0.175 0.000 0.944 14 L HN 0.304 nan 8.230 nan 0.000 0.451 15 D N 0.509 120.973 120.400 0.106 0.000 2.149 15 D HA -0.096 4.544 4.640 0.000 0.000 0.201 15 D C 2.273 178.657 176.300 0.141 0.000 0.972 15 D CA 1.292 55.342 54.000 0.084 0.000 0.835 15 D CB 0.125 40.957 40.800 0.054 0.000 0.966 15 D HN 0.260 nan 8.370 nan 0.000 0.476 16 A N 0.767 123.664 122.820 0.129 0.000 1.902 16 A HA -0.140 4.180 4.320 0.000 0.000 0.217 16 A C 2.339 179.992 177.584 0.114 0.000 1.181 16 A CA 0.916 53.026 52.037 0.122 0.000 0.623 16 A CB -0.722 18.353 19.000 0.125 0.000 0.818 16 A HN 0.191 nan 8.150 nan 0.000 0.443 17 I N -2.178 118.459 120.570 0.111 0.000 2.286 17 I HA -0.252 3.918 4.170 0.000 0.000 0.248 17 I C 2.439 178.587 176.117 0.052 0.000 1.115 17 I CA 1.620 62.948 61.300 0.047 0.000 1.392 17 I CB -0.358 37.667 38.000 0.042 0.000 1.065 17 I HN 0.537 nan 8.210 nan 0.000 0.418 18 Y N 2.064 122.362 120.300 -0.002 0.000 2.145 18 Y HA -0.325 4.225 4.550 0.000 0.000 0.286 18 Y C 2.178 178.067 175.900 -0.018 0.000 1.145 18 Y CA 1.970 60.061 58.100 -0.014 0.000 1.148 18 Y CB -0.224 38.228 38.460 -0.013 0.000 0.981 18 Y HN 0.199 nan 8.280 nan 0.000 0.507 19 D N -0.130 120.356 120.400 0.142 0.000 2.104 19 D HA -0.198 4.443 4.640 0.000 0.000 0.194 19 D C 1.759 178.021 176.300 -0.064 0.000 0.994 19 D CA 1.527 55.553 54.000 0.043 0.000 0.830 19 D CB -0.548 40.309 40.800 0.094 0.000 0.959 19 D HN 0.389 nan 8.370 nan 0.000 0.452 20 N N 0.229 118.947 118.700 0.031 0.000 2.104 20 N HA -0.108 4.633 4.740 0.000 0.000 0.190 20 N C 1.960 177.517 175.510 0.077 0.000 1.024 20 N CA 0.565 53.705 53.050 0.150 0.000 0.853 20 N CB -0.446 38.156 38.487 0.193 0.000 1.008 20 N HN 0.130 nan 8.380 nan 0.000 0.424 21 V N 1.259 121.146 119.914 -0.045 0.000 2.488 21 V HA -0.095 4.025 4.120 0.000 0.000 0.246 21 V C 2.343 178.245 176.094 -0.321 0.000 1.046 21 V CA 1.202 63.406 62.300 -0.160 0.000 1.053 21 V CB -0.398 31.325 31.823 -0.166 0.000 0.679 21 V HN 0.335 nan 8.190 nan 0.000 0.458 22 E N 0.526 120.484 120.200 -0.403 0.000 2.106 22 E HA -0.232 4.119 4.350 0.000 0.000 0.192 22 E C 1.981 178.368 176.600 -0.355 0.000 0.984 22 E CA 1.118 57.276 56.400 -0.404 0.000 0.806 22 E CB -0.056 29.369 29.700 -0.459 0.000 0.750 22 E HN 0.547 nan 8.360 nan 0.000 0.458 23 N N 0.888 119.308 118.700 -0.467 0.000 2.223 23 N HA -0.164 4.577 4.740 0.000 0.000 0.185 23 N C 1.865 176.995 175.510 -0.633 0.000 1.016 23 N CA 0.611 53.229 53.050 -0.720 0.000 0.863 23 N CB -0.212 37.390 38.487 -1.476 0.000 0.983 23 N HN 0.211 nan 8.380 nan 0.000 0.429 24 L N 1.002 121.946 121.223 -0.465 0.000 2.131 24 L HA 0.021 4.362 4.340 0.000 0.000 0.206 24 L C 2.253 178.975 176.870 -0.247 0.000 1.087 24 L CA 1.253 55.916 54.840 -0.294 0.000 0.767 24 L CB -0.269 41.461 42.059 -0.548 0.000 0.917 24 L HN -0.097 nan 8.230 nan 0.000 0.441 25 R N -0.377 119.971 120.500 -0.253 0.000 2.148 25 R HA -0.133 4.207 4.340 0.000 0.000 0.227 25 R C 2.273 178.491 176.300 -0.136 0.000 1.103 25 R CA 1.414 57.408 56.100 -0.177 0.000 0.983 25 R CB -0.279 29.915 30.300 -0.177 0.000 0.874 25 R HN 0.249 nan 8.270 nan 0.000 0.451 26 R N -0.566 119.838 120.500 -0.160 0.000 2.057 26 R HA 0.001 4.341 4.340 0.000 0.000 0.229 26 R C 2.108 178.357 176.300 -0.085 0.000 1.136 26 R CA 1.433 57.463 56.100 -0.118 0.000 0.952 26 R CB -0.625 29.590 30.300 -0.141 0.000 0.848 26 R HN 0.240 nan 8.270 nan 0.000 0.430 27 L N 0.675 121.847 121.223 -0.086 0.000 2.012 27 L HA -0.060 4.280 4.340 0.000 0.000 0.210 27 L C 0.260 177.115 176.870 -0.025 0.000 1.073 27 L CA 1.587 56.411 54.840 -0.027 0.000 0.748 27 L CB -0.229 41.852 42.059 0.037 0.000 0.891 27 L HN 0.055 nan 8.230 nan 0.000 0.431 28 L N 0.263 121.458 121.223 -0.046 0.000 2.436 28 L HA 0.223 4.564 4.340 0.000 0.000 0.265 28 L C -1.882 174.969 176.870 -0.032 0.000 1.168 28 L CA -1.950 52.870 54.840 -0.034 0.000 0.815 28 L CB -0.267 41.762 42.059 -0.051 0.000 1.109 28 L HN -0.027 nan 8.230 nan 0.000 0.462 29 P HA -0.004 nan 4.420 nan 0.000 0.271 29 P C 0.126 177.404 177.300 -0.037 0.000 1.216 29 P CA -0.105 62.980 63.100 -0.025 0.000 0.771 29 P CB 0.535 32.223 31.700 -0.020 0.000 0.864 30 D N 2.201 122.582 120.400 -0.031 0.000 2.239 30 D HA -0.208 4.432 4.640 0.000 0.000 0.202 30 D C 1.012 177.287 176.300 -0.041 0.000 0.993 30 D CA 1.241 55.222 54.000 -0.030 0.000 0.874 30 D CB -0.050 40.738 40.800 -0.019 0.000 0.922 30 D HN 0.491 nan 8.370 nan 0.000 0.464 31 D N -1.082 119.278 120.400 -0.066 0.000 2.347 31 D HA -0.076 4.565 4.640 0.000 0.000 0.215 31 D C 0.109 176.262 176.300 -0.246 0.000 0.976 31 D CA 0.274 54.204 54.000 -0.116 0.000 0.884 31 D CB -0.418 40.340 40.800 -0.070 0.000 0.915 31 D HN 0.011 nan 8.370 nan 0.000 0.526 32 T N 2.042 116.494 114.554 -0.170 0.000 2.733 32 T HA 0.159 4.510 4.350 0.000 0.000 0.294 32 T C -0.027 174.597 174.700 -0.126 0.000 0.956 32 T CA -0.579 61.424 62.100 -0.161 0.000 0.987 32 T CB 0.864 69.709 68.868 -0.038 0.000 0.920 32 T HN 0.140 nan 8.240 nan 0.000 0.470 33 H N 2.366 121.442 119.070 0.010 0.000 2.547 33 H HA 0.407 4.964 4.556 0.000 0.000 0.362 33 H C 0.148 175.453 175.328 -0.037 0.000 1.181 33 H CA -0.739 55.297 56.048 -0.021 0.000 1.376 33 H CB 0.936 30.682 29.762 -0.026 0.000 1.488 33 H HN 0.476 nan 8.280 nan 0.000 0.583 34 I N 2.331 122.946 120.570 0.074 0.000 2.355 34 I HA 0.164 4.334 4.170 0.000 0.000 0.288 34 I C 0.339 176.449 176.117 -0.011 0.000 0.999 34 I CA -0.328 60.971 61.300 -0.001 0.000 1.163 34 I CB 1.230 39.183 38.000 -0.078 0.000 1.316 34 I HN 0.274 nan 8.210 nan 0.000 0.454 35 M N 6.605 126.198 119.600 -0.012 0.000 2.069 35 M HA 0.539 5.019 4.480 0.000 0.000 0.349 35 M C -0.200 176.102 176.300 0.004 0.000 1.194 35 M CA -0.355 54.915 55.300 -0.051 0.000 1.081 35 M CB 0.738 33.264 32.600 -0.123 0.000 1.500 35 M HN 0.711 nan 8.290 nan 0.000 0.438 36 A N 4.798 127.613 122.820 -0.008 0.000 2.366 36 A HA 0.493 4.814 4.320 0.000 0.000 0.272 36 A C -0.533 177.041 177.584 -0.017 0.000 1.135 36 A CA -0.614 51.427 52.037 0.006 0.000 0.804 36 A CB 0.517 19.499 19.000 -0.029 0.000 1.064 36 A HN 0.858 nan 8.150 nan 0.000 0.499 37 V N 4.526 124.430 119.914 -0.017 0.000 2.347 37 V HA 0.534 4.654 4.120 0.000 0.000 0.280 37 V C 0.223 176.343 176.094 0.044 0.000 1.021 37 V CA 0.005 62.320 62.300 0.025 0.000 0.847 37 V CB 1.218 33.093 31.823 0.086 0.000 0.990 37 V HN 1.241 nan 8.190 nan 0.000 0.444 38 V N 4.064 124.027 119.914 0.081 0.000 2.982 38 V HA 0.379 4.499 4.120 0.000 0.000 0.368 38 V C 0.777 176.971 176.094 0.166 0.000 1.350 38 V CA -0.342 62.039 62.300 0.135 0.000 1.251 38 V CB -0.899 30.970 31.823 0.077 0.000 1.284 38 V HN 0.957 nan 8.190 nan 0.000 0.533 39 K N 1.011 121.542 120.400 0.219 0.000 2.286 39 K HA 0.505 4.825 4.320 0.000 0.000 0.256 39 K C 0.714 177.429 176.600 0.192 0.000 0.999 39 K CA 0.464 56.846 56.287 0.158 0.000 0.908 39 K CB 0.534 33.127 32.500 0.155 0.000 0.981 39 K HN 1.267 nan 8.250 nan 0.000 0.500 40 A N 1.490 124.367 122.820 0.094 0.000 2.791 40 A HA -0.247 4.073 4.320 0.000 0.000 0.292 40 A C 0.372 178.023 177.584 0.112 0.000 1.487 40 A CA 1.179 53.269 52.037 0.088 0.000 0.760 40 A CB -2.448 16.566 19.000 0.023 0.000 1.031 40 A HN 1.109 nan 8.150 nan 0.000 0.503 41 N N -2.521 116.241 118.700 0.104 0.000 2.738 41 N HA 0.078 4.818 4.740 0.000 0.000 0.249 41 N C 0.351 175.972 175.510 0.185 0.000 1.047 41 N CA 2.335 55.462 53.050 0.127 0.000 0.707 41 N CB -1.675 36.892 38.487 0.132 0.000 0.937 41 N HN 2.387 nan 8.380 nan 0.000 0.545 42 A N 0.666 123.607 122.820 0.202 0.000 2.416 42 A HA -0.191 4.129 4.320 0.000 0.000 0.293 42 A C 0.590 178.251 177.584 0.128 0.000 1.452 42 A CA 1.147 53.331 52.037 0.245 0.000 0.738 42 A CB -2.279 16.895 19.000 0.289 0.000 1.123 42 A HN 1.317 nan 8.150 nan 0.000 0.389 43 Y N -2.590 117.627 120.300 -0.138 0.000 3.225 43 Y HA -0.148 4.402 4.550 0.000 0.000 0.211 43 Y C 1.932 177.775 175.900 -0.095 0.000 1.223 43 Y CA 1.923 59.881 58.100 -0.236 0.000 1.284 43 Y CB -1.845 36.222 38.460 -0.654 0.000 1.367 43 Y HN 2.431 nan 8.280 nan 0.000 0.566 44 G N -1.636 107.236 108.800 0.119 0.000 2.162 44 G HA2 -0.403 3.558 3.960 0.000 0.000 0.260 44 G HA3 -0.403 3.558 3.960 0.000 0.000 0.260 44 G C 0.569 175.546 174.900 0.129 0.000 0.976 44 G CA 0.674 45.806 45.100 0.053 0.000 0.655 44 G HN 0.644 nan 8.290 nan 0.000 0.533 45 H N -0.184 118.963 119.070 0.128 0.000 2.648 45 H HA 0.465 5.021 4.556 0.000 0.000 0.265 45 H C 1.535 177.105 175.328 0.404 0.000 0.961 45 H CA 1.294 57.525 56.048 0.305 0.000 1.185 45 H CB 0.937 30.886 29.762 0.312 0.000 1.449 45 H HN 1.428 nan 8.280 nan 0.000 0.523 46 G N 1.648 110.710 108.800 0.436 0.000 2.992 46 G HA2 -0.178 3.782 3.960 0.000 0.000 0.677 46 G HA3 -0.178 3.782 3.960 0.000 0.000 0.677 46 G C 0.271 175.317 174.900 0.243 0.000 1.191 46 G CA -0.021 45.327 45.100 0.414 0.000 1.178 46 G HN 0.322 nan 8.290 nan 0.000 0.506 47 D N 1.163 121.658 120.400 0.159 0.000 2.106 47 D HA -0.194 4.446 4.640 0.000 0.000 0.191 47 D C 2.235 178.558 176.300 0.037 0.000 0.997 47 D CA 1.957 56.014 54.000 0.095 0.000 0.834 47 D CB -0.351 40.482 40.800 0.056 0.000 0.956 47 D HN 0.977 nan 8.370 nan 0.000 0.448 48 V N -0.291 119.620 119.914 -0.005 0.000 2.591 48 V HA -0.174 3.947 4.120 0.000 0.000 0.249 48 V C 2.138 178.173 176.094 -0.098 0.000 1.053 48 V CA 1.606 63.877 62.300 -0.049 0.000 1.068 48 V CB -0.284 31.506 31.823 -0.055 0.000 0.689 48 V HN 0.022 nan 8.190 nan 0.000 0.462 49 Q N -0.237 119.453 119.800 -0.183 0.000 2.046 49 Q HA -0.106 4.234 4.340 0.000 0.000 0.200 49 Q C 2.151 178.091 176.000 -0.099 0.000 0.975 49 Q CA 2.243 57.866 55.803 -0.299 0.000 0.836 49 Q CB -0.587 27.637 28.738 -0.856 0.000 0.896 49 Q HN 0.550 nan 8.270 nan 0.000 0.428 50 V N 0.695 120.619 119.914 0.017 0.000 2.307 50 V HA -0.257 3.863 4.120 0.000 0.000 0.245 50 V C 2.165 178.261 176.094 0.003 0.000 1.045 50 V CA 1.656 63.993 62.300 0.062 0.000 1.024 50 V CB -1.178 30.742 31.823 0.161 0.000 0.651 50 V HN 0.429 nan 8.190 nan 0.000 0.449 51 A N 0.132 122.951 122.820 -0.002 0.000 1.892 51 A HA -0.293 4.028 4.320 0.000 0.000 0.218 51 A C 2.371 179.939 177.584 -0.027 0.000 1.188 51 A CA 2.275 54.300 52.037 -0.020 0.000 0.631 51 A CB -0.573 18.414 19.000 -0.022 0.000 0.822 51 A HN 0.515 nan 8.150 nan 0.000 0.447 52 R N -1.181 119.300 120.500 -0.033 0.000 2.083 52 R HA -0.101 4.240 4.340 0.000 0.000 0.237 52 R C 2.361 178.662 176.300 0.000 0.000 1.137 52 R CA 1.920 58.004 56.100 -0.026 0.000 0.951 52 R CB -0.838 29.435 30.300 -0.045 0.000 0.851 52 R HN 0.575 nan 8.270 nan 0.000 0.434 53 T N 0.826 115.385 114.554 0.009 0.000 2.746 53 T HA -0.141 4.209 4.350 0.000 0.000 0.267 53 T C 1.941 176.674 174.700 0.055 0.000 1.039 53 T CA 1.404 63.541 62.100 0.062 0.000 1.142 53 T CB -0.256 68.651 68.868 0.065 0.000 0.866 53 T HN 0.387 nan 8.240 nan 0.000 0.444 54 A N 1.316 124.131 122.820 -0.009 0.000 1.877 54 A HA 0.032 4.353 4.320 0.000 0.000 0.216 54 A C 2.305 179.857 177.584 -0.054 0.000 1.186 54 A CA 1.163 53.168 52.037 -0.054 0.000 0.620 54 A CB -0.888 18.072 19.000 -0.065 0.000 0.822 54 A HN 0.471 nan 8.150 nan 0.000 0.443 55 L N -0.881 120.324 121.223 -0.031 0.000 2.131 55 L HA -0.204 4.136 4.340 0.000 0.000 0.210 55 L C 2.577 179.444 176.870 -0.004 0.000 1.092 55 L CA 1.528 56.351 54.840 -0.028 0.000 0.759 55 L CB -0.465 41.579 42.059 -0.025 0.000 0.903 55 L HN 0.500 nan 8.230 nan 0.000 0.435 56 E N 0.001 120.225 120.200 0.041 0.000 2.072 56 E HA -0.176 4.174 4.350 0.000 0.000 0.191 56 E C 2.171 178.844 176.600 0.121 0.000 0.985 56 E CA 1.035 57.508 56.400 0.122 0.000 0.801 56 E CB -0.055 29.787 29.700 0.237 0.000 0.750 56 E HN 0.477 nan 8.360 nan 0.000 0.452 57 A N -0.484 122.288 122.820 -0.079 0.000 2.209 57 A HA 0.126 4.446 4.320 0.000 0.000 0.212 57 A C 1.623 179.036 177.584 -0.283 0.000 1.158 57 A CA 1.260 52.997 52.037 -0.500 0.000 0.742 57 A CB 0.040 18.503 19.000 -0.895 0.000 0.790 57 A HN 0.410 nan 8.150 nan 0.000 0.472 58 G N -2.798 105.914 108.800 -0.146 0.000 2.672 58 G HA2 0.272 4.232 3.960 0.000 0.000 0.197 58 G HA3 0.272 4.232 3.960 0.000 0.000 0.197 58 G C 0.385 175.232 174.900 -0.088 0.000 0.995 58 G CA 0.006 45.038 45.100 -0.113 0.000 0.754 58 G HN 1.256 nan 8.290 nan 0.000 0.505 59 A N 0.729 123.495 122.820 -0.090 0.000 2.386 59 A HA 0.710 5.030 4.320 0.000 0.000 0.248 59 A C 1.453 179.001 177.584 -0.060 0.000 1.082 59 A CA 1.247 53.243 52.037 -0.068 0.000 0.789 59 A CB 0.648 19.610 19.000 -0.063 0.000 1.025 59 A HN 1.455 nan 8.150 nan 0.000 0.490 60 S N 0.882 116.541 115.700 -0.068 0.000 2.593 60 S HA 0.276 4.746 4.470 0.000 0.000 0.235 60 S C 0.707 175.240 174.600 -0.111 0.000 1.059 60 S CA -0.319 57.824 58.200 -0.095 0.000 0.953 60 S CB 0.218 63.334 63.200 -0.139 0.000 0.897 60 S HN 0.734 nan 8.310 nan 0.000 0.507 61 R N 0.052 120.487 120.500 -0.108 0.000 2.912 61 R HA 0.766 5.106 4.340 0.000 0.000 0.262 61 R C -1.508 174.734 176.300 -0.095 0.000 1.057 61 R CA -0.819 55.212 56.100 -0.116 0.000 0.981 61 R CB 1.357 31.566 30.300 -0.152 0.000 1.201 61 R HN 0.144 nan 8.270 nan 0.000 0.484 62 L N 0.381 121.544 121.223 -0.099 0.000 2.370 62 L HA 0.776 5.116 4.340 0.000 0.000 0.266 62 L C -0.750 176.062 176.870 -0.096 0.000 1.002 62 L CA -0.981 53.812 54.840 -0.079 0.000 0.818 62 L CB 2.228 44.248 42.059 -0.064 0.000 1.325 62 L HN 0.714 nan 8.230 nan 0.000 0.418 63 A N 1.923 124.701 122.820 -0.070 0.000 2.401 63 A HA 0.901 5.221 4.320 0.000 0.000 0.310 63 A C -1.281 176.286 177.584 -0.028 0.000 1.075 63 A CA -0.530 51.463 52.037 -0.073 0.000 0.746 63 A CB 2.135 21.087 19.000 -0.080 0.000 1.277 63 A HN 0.398 nan 8.150 nan 0.000 0.425 64 V N 0.346 120.238 119.914 -0.036 0.000 3.160 64 V HA 0.648 4.768 4.120 0.000 0.000 0.310 64 V C 1.071 177.160 176.094 -0.008 0.000 1.181 64 V CA 0.274 62.553 62.300 -0.035 0.000 1.047 64 V CB 2.172 33.942 31.823 -0.088 0.000 1.068 64 V HN 1.359 nan 8.190 nan 0.000 0.441 65 A N 2.239 125.058 122.820 -0.003 0.000 1.903 65 A HA 0.390 4.710 4.320 0.000 0.000 0.213 65 A C 0.397 178.131 177.584 0.250 0.000 1.185 65 A CA 1.408 53.527 52.037 0.136 0.000 0.628 65 A CB -0.064 19.092 19.000 0.261 0.000 0.830 65 A HN 1.027 nan 8.150 nan 0.000 0.446 66 F N -5.372 114.597 119.950 0.032 0.000 2.664 66 F HA 0.626 5.153 4.527 0.000 0.000 0.317 66 F C 0.304 176.123 175.800 0.032 0.000 1.108 66 F CA -1.253 56.769 58.000 0.037 0.000 0.957 66 F CB 0.515 39.539 39.000 0.039 0.000 1.365 66 F HN -0.092 nan 8.300 nan 0.000 0.475 67 L N 1.566 122.912 121.223 0.205 0.000 2.013 67 L HA -0.127 4.213 4.340 0.000 0.000 0.212 67 L C 1.466 178.336 176.870 -0.000 0.000 1.073 67 L CA 2.297 57.185 54.840 0.081 0.000 0.753 67 L CB -1.093 41.037 42.059 0.119 0.000 0.890 67 L HN 0.803 nan 8.230 nan 0.000 0.432 68 D N -0.750 119.685 120.400 0.060 0.000 2.190 68 D HA -0.214 4.426 4.640 0.000 0.000 0.200 68 D C 2.016 178.211 176.300 -0.174 0.000 0.992 68 D CA 1.574 55.571 54.000 -0.005 0.000 0.854 68 D CB -0.105 40.784 40.800 0.148 0.000 0.936 68 D HN 0.538 nan 8.370 nan 0.000 0.462 69 E N 0.148 120.087 120.200 -0.435 0.000 2.152 69 E HA -0.065 4.285 4.350 0.000 0.000 0.192 69 E C 2.120 178.604 176.600 -0.194 0.000 0.983 69 E CA 0.821 56.999 56.400 -0.369 0.000 0.818 69 E CB -0.048 29.334 29.700 -0.529 0.000 0.758 69 E HN 0.296 nan 8.360 nan 0.000 0.467 70 A N 1.159 123.883 122.820 -0.161 0.000 1.897 70 A HA -0.096 4.224 4.320 0.000 0.000 0.215 70 A C 2.171 179.711 177.584 -0.073 0.000 1.181 70 A CA 0.781 52.759 52.037 -0.098 0.000 0.620 70 A CB -0.493 18.460 19.000 -0.078 0.000 0.821 70 A HN 0.102 nan 8.150 nan 0.000 0.443 71 L N -0.665 120.520 121.223 -0.063 0.000 2.093 71 L HA -0.163 4.177 4.340 0.000 0.000 0.208 71 L C 3.022 179.868 176.870 -0.040 0.000 1.085 71 L CA 0.984 55.798 54.840 -0.044 0.000 0.755 71 L CB -0.549 41.494 42.059 -0.026 0.000 0.904 71 L HN 0.414 nan 8.230 nan 0.000 0.435 72 A N 0.108 122.900 122.820 -0.046 0.000 1.972 72 A HA -0.132 4.188 4.320 0.000 0.000 0.219 72 A C 2.263 179.827 177.584 -0.034 0.000 1.169 72 A CA 1.318 53.335 52.037 -0.034 0.000 0.635 72 A CB -0.581 18.397 19.000 -0.036 0.000 0.810 72 A HN 0.366 nan 8.150 nan 0.000 0.446 73 L N -1.206 119.990 121.223 -0.045 0.000 2.156 73 L HA -0.115 4.225 4.340 0.000 0.000 0.208 73 L C 2.787 179.634 176.870 -0.038 0.000 1.095 73 L CA 0.705 55.521 54.840 -0.040 0.000 0.770 73 L CB -0.371 41.660 42.059 -0.046 0.000 0.914 73 L HN 0.243 nan 8.230 nan 0.000 0.439 74 R N 0.356 120.832 120.500 -0.041 0.000 2.092 74 R HA -0.136 4.204 4.340 0.000 0.000 0.231 74 R C 1.992 178.274 176.300 -0.031 0.000 1.119 74 R CA 1.167 57.243 56.100 -0.039 0.000 0.970 74 R CB -0.430 29.843 30.300 -0.045 0.000 0.864 74 R HN 0.491 nan 8.270 nan 0.000 0.440 75 E N 0.438 120.623 120.200 -0.026 0.000 2.204 75 E HA -0.118 4.232 4.350 0.000 0.000 0.194 75 E C 0.949 177.539 176.600 -0.016 0.000 0.989 75 E CA 0.841 57.230 56.400 -0.018 0.000 0.824 75 E CB 0.100 29.793 29.700 -0.012 0.000 0.756 75 E HN 0.254 nan 8.360 nan 0.000 0.477 76 K N -0.452 119.936 120.400 -0.020 0.000 2.446 76 K HA 0.134 4.454 4.320 0.000 0.000 0.203 76 K C 0.558 177.142 176.600 -0.026 0.000 1.027 76 K CA 0.376 56.651 56.287 -0.021 0.000 1.166 76 K CB 1.011 33.498 32.500 -0.022 0.000 0.869 76 K HN 0.177 nan 8.250 nan 0.000 0.504 77 G N 1.533 110.318 108.800 -0.025 0.000 2.143 77 G HA2 -0.206 3.754 3.960 0.000 0.000 0.249 77 G HA3 -0.206 3.754 3.960 0.000 0.000 0.249 77 G C 0.069 174.952 174.900 -0.029 0.000 0.981 77 G CA -0.465 44.620 45.100 -0.025 0.000 0.665 77 G HN 0.206 nan 8.290 nan 0.000 0.528 78 I N 1.117 121.667 120.570 -0.033 0.000 2.416 78 I HA 0.235 4.405 4.170 0.000 0.000 0.288 78 I C 0.966 177.061 176.117 -0.037 0.000 1.051 78 I CA 0.110 61.389 61.300 -0.035 0.000 1.375 78 I CB 1.108 39.085 38.000 -0.039 0.000 1.407 78 I HN 0.174 nan 8.210 nan 0.000 0.516 79 E N 4.044 124.223 120.200 -0.035 0.000 2.526 79 E HA 0.209 4.560 4.350 0.000 0.000 0.208 79 E C 0.513 177.088 176.600 -0.042 0.000 0.997 79 E CA -0.188 56.191 56.400 -0.036 0.000 0.961 79 E CB 1.037 30.721 29.700 -0.027 0.000 1.030 79 E HN 0.694 nan 8.360 nan 0.000 0.483 80 A N 2.896 125.687 122.820 -0.047 0.000 2.346 80 A HA 0.345 4.665 4.320 0.000 0.000 0.252 80 A C -2.284 175.259 177.584 -0.068 0.000 1.089 80 A CA -0.925 51.077 52.037 -0.058 0.000 0.797 80 A CB -0.222 18.742 19.000 -0.059 0.000 1.047 80 A HN -0.144 nan 8.150 nan 0.000 0.494 81 P HA 0.395 nan 4.420 nan 0.000 0.271 81 P C -0.924 176.318 177.300 -0.097 0.000 1.216 81 P CA 0.315 63.360 63.100 -0.091 0.000 0.776 81 P CB 0.485 32.116 31.700 -0.114 0.000 0.881 82 I N 2.540 123.056 120.570 -0.090 0.000 2.498 82 I HA 0.368 4.538 4.170 0.000 0.000 0.290 82 I C -0.685 175.363 176.117 -0.114 0.000 1.032 82 I CA -1.094 60.147 61.300 -0.098 0.000 1.073 82 I CB 2.009 39.961 38.000 -0.080 0.000 1.251 82 I HN 0.140 nan 8.210 nan 0.000 0.426 83 L N 7.230 128.360 121.223 -0.156 0.000 2.322 83 L HA 0.547 4.887 4.340 0.000 0.000 0.281 83 L C -0.796 176.002 176.870 -0.121 0.000 1.014 83 L CA -0.426 54.294 54.840 -0.199 0.000 0.815 83 L CB 1.822 43.655 42.059 -0.376 0.000 1.247 83 L HN 0.330 nan 8.230 nan 0.000 0.421 84 V N 7.117 126.990 119.914 -0.067 0.000 2.368 84 V HA 0.164 4.284 4.120 0.000 0.000 0.266 84 V C 1.266 177.381 176.094 0.036 0.000 1.045 84 V CA -0.170 62.127 62.300 -0.005 0.000 0.899 84 V CB 1.099 32.939 31.823 0.027 0.000 1.006 84 V HN 0.837 nan 8.190 nan 0.000 0.470 85 L N 4.158 125.410 121.223 0.049 0.000 2.217 85 L HA 0.106 4.446 4.340 0.000 0.000 0.211 85 L C 1.622 178.588 176.870 0.160 0.000 1.107 85 L CA 1.284 56.196 54.840 0.119 0.000 0.783 85 L CB -0.301 41.804 42.059 0.077 0.000 0.919 85 L HN 0.767 nan 8.230 nan 0.000 0.442 86 G N -0.935 107.947 108.800 0.138 0.000 2.702 86 G HA2 0.609 4.569 3.960 0.000 0.000 0.254 86 G HA3 0.609 4.569 3.960 0.000 0.000 0.254 86 G C -0.640 174.382 174.900 0.204 0.000 1.380 86 G CA 0.007 45.194 45.100 0.144 0.000 1.042 86 G HN 0.172 nan 8.290 nan 0.000 0.557 87 A N -0.754 122.202 122.820 0.226 0.000 2.351 87 A HA 0.660 4.980 4.320 0.000 0.000 0.257 87 A C 0.584 178.286 177.584 0.196 0.000 1.087 87 A CA 0.497 52.688 52.037 0.256 0.000 0.798 87 A CB 0.362 19.559 19.000 0.329 0.000 1.033 87 A HN 1.732 nan 8.150 nan 0.000 0.488 88 S N 0.905 116.727 115.700 0.203 0.000 2.697 88 S HA 0.729 5.199 4.470 0.000 0.000 0.289 88 S C -0.632 174.251 174.600 0.472 0.000 1.149 88 S CA -1.044 57.332 58.200 0.292 0.000 0.850 88 S CB 1.128 64.493 63.200 0.275 0.000 1.151 88 S HN 0.726 nan 8.310 nan 0.000 0.491 89 R N 1.013 121.715 120.500 0.337 0.000 2.349 89 R HA 0.389 4.730 4.340 0.000 0.000 0.299 89 R C -1.742 174.605 176.300 0.078 0.000 1.027 89 R CA -2.190 54.036 56.100 0.209 0.000 0.958 89 R CB 0.656 31.009 30.300 0.088 0.000 1.047 89 R HN 0.506 nan 8.270 nan 0.000 0.468 90 P HA -0.217 nan 4.420 nan 0.000 0.215 90 P C 1.024 178.106 177.300 -0.365 0.000 1.153 90 P CA 1.400 63.963 63.100 -0.894 0.000 0.853 90 P CB 0.101 31.137 31.700 -1.106 0.000 0.788 91 A N 0.546 123.256 122.820 -0.182 0.000 2.042 91 A HA -0.211 4.110 4.320 0.000 0.000 0.222 91 A C 1.703 179.258 177.584 -0.048 0.000 1.167 91 A CA 2.150 54.139 52.037 -0.081 0.000 0.649 91 A CB -1.297 17.676 19.000 -0.044 0.000 0.809 91 A HN 0.130 nan 8.150 nan 0.000 0.457 92 D N -0.600 119.786 120.400 -0.024 0.000 2.328 92 D HA 0.309 4.949 4.640 0.000 0.000 0.226 92 D C 1.825 178.114 176.300 -0.019 0.000 1.066 92 D CA 0.751 54.753 54.000 0.003 0.000 0.861 92 D CB -0.081 40.752 40.800 0.054 0.000 0.912 92 D HN 0.444 nan 8.370 nan 0.000 0.521 93 A N 1.067 123.853 122.820 -0.056 0.000 1.940 93 A HA -0.131 4.189 4.320 0.000 0.000 0.219 93 A C 2.305 179.690 177.584 -0.332 0.000 1.176 93 A CA 1.873 53.845 52.037 -0.109 0.000 0.631 93 A CB -0.425 18.508 19.000 -0.112 0.000 0.814 93 A HN 0.262 nan 8.150 nan 0.000 0.446 94 A N -0.546 122.070 122.820 -0.340 0.000 1.902 94 A HA -0.022 4.298 4.320 0.000 0.000 0.217 94 A C 2.124 179.618 177.584 -0.151 0.000 1.181 94 A CA 1.771 53.612 52.037 -0.327 0.000 0.623 94 A CB -0.558 18.416 19.000 -0.043 0.000 0.818 94 A HN 0.769 nan 8.150 nan 0.000 0.443 95 L N -0.456 120.709 121.223 -0.097 0.000 2.109 95 L HA 0.104 4.444 4.340 0.000 0.000 0.207 95 L C 2.568 179.375 176.870 -0.104 0.000 1.086 95 L CA 1.999 56.794 54.840 -0.075 0.000 0.760 95 L CB -0.922 41.115 42.059 -0.036 0.000 0.910 95 L HN 0.316 nan 8.230 nan 0.000 0.437 96 A N -0.168 122.591 122.820 -0.101 0.000 1.877 96 A HA -0.092 4.228 4.320 0.000 0.000 0.216 96 A C 2.459 179.960 177.584 -0.139 0.000 1.186 96 A CA 1.851 53.828 52.037 -0.100 0.000 0.620 96 A CB -1.192 17.760 19.000 -0.079 0.000 0.822 96 A HN 0.564 nan 8.150 nan 0.000 0.443 97 A N -1.081 121.632 122.820 -0.178 0.000 1.933 97 A HA -0.196 4.125 4.320 0.000 0.000 0.218 97 A C 2.166 179.606 177.584 -0.240 0.000 1.175 97 A CA 1.832 53.787 52.037 -0.137 0.000 0.628 97 A CB -0.504 18.446 19.000 -0.083 0.000 0.814 97 A HN 0.647 nan 8.150 nan 0.000 0.444 98 Q N -1.016 118.576 119.800 -0.347 0.000 2.083 98 Q HA -0.129 4.211 4.340 0.000 0.000 0.198 98 Q C 1.525 177.248 176.000 -0.461 0.000 0.969 98 Q CA 1.288 56.667 55.803 -0.706 0.000 0.838 98 Q CB 0.003 28.485 28.738 -0.426 0.000 0.900 98 Q HN 0.590 nan 8.270 nan 0.000 0.436 99 Q N 0.074 119.725 119.800 -0.248 0.000 2.365 99 Q HA 0.070 4.410 4.340 0.000 0.000 0.203 99 Q C -0.367 175.562 176.000 -0.119 0.000 0.929 99 Q CA 0.192 55.898 55.803 -0.161 0.000 0.948 99 Q CB 0.425 29.098 28.738 -0.108 0.000 1.043 99 Q HN 0.330 nan 8.270 nan 0.000 0.505 100 R N 0.272 120.702 120.500 -0.117 0.000 3.525 100 R HA -0.162 4.178 4.340 0.000 0.000 0.276 100 R C -0.596 175.688 176.300 -0.027 0.000 1.116 100 R CA 0.335 56.410 56.100 -0.041 0.000 0.745 100 R CB -2.227 28.055 30.300 -0.030 0.000 1.185 100 R HN 0.242 nan 8.270 nan 0.000 0.454 101 I N 0.910 121.451 120.570 -0.048 0.000 2.321 101 I HA 0.365 4.535 4.170 0.000 0.000 0.291 101 I C 1.033 177.121 176.117 -0.048 0.000 0.998 101 I CA -0.477 60.791 61.300 -0.052 0.000 1.227 101 I CB 1.500 39.464 38.000 -0.061 0.000 1.368 101 I HN 0.194 nan 8.210 nan 0.000 0.466 102 A N 7.801 130.601 122.820 -0.033 0.000 2.322 102 A HA 0.751 5.071 4.320 0.000 0.000 0.269 102 A C -0.431 177.123 177.584 -0.050 0.000 1.094 102 A CA -0.275 51.754 52.037 -0.012 0.000 0.807 102 A CB 0.547 19.597 19.000 0.083 0.000 1.047 102 A HN 0.706 nan 8.150 nan 0.000 0.487 103 L N 0.579 121.762 121.223 -0.067 0.000 2.333 103 L HA 0.461 4.801 4.340 0.000 0.000 0.269 103 L C 0.135 177.083 176.870 0.129 0.000 1.010 103 L CA -0.673 54.160 54.840 -0.012 0.000 0.818 103 L CB 2.262 44.282 42.059 -0.064 0.000 1.306 103 L HN 0.656 nan 8.230 nan 0.000 0.430 104 T N 1.517 116.138 114.554 0.111 0.000 2.856 104 T HA 0.424 4.775 4.350 0.000 0.000 0.292 104 T C -0.637 174.039 174.700 -0.040 0.000 0.980 104 T CA -0.181 62.043 62.100 0.207 0.000 1.091 104 T CB 1.730 70.783 68.868 0.309 0.000 0.936 104 T HN 0.278 nan 8.240 nan 0.000 0.503 105 V N 5.334 125.222 119.914 -0.044 0.000 2.709 105 V HA 0.707 4.828 4.120 0.000 0.000 0.308 105 V C -0.985 175.009 176.094 -0.167 0.000 1.062 105 V CA -0.739 61.311 62.300 -0.417 0.000 0.901 105 V CB 1.486 32.985 31.823 -0.540 0.000 1.003 105 V HN 0.942 nan 8.190 nan 0.000 0.425 106 F N 4.252 124.065 119.950 -0.229 0.000 3.031 106 F HA 0.564 5.092 4.527 0.000 0.000 0.365 106 F C 0.243 175.989 175.800 -0.091 0.000 1.128 106 F CA -0.766 57.148 58.000 -0.144 0.000 1.068 106 F CB 0.138 39.052 39.000 -0.142 0.000 1.280 106 F HN 0.407 nan 8.300 nan 0.000 0.529 107 R N 0.494 120.817 120.500 -0.294 0.000 2.651 107 R HA 0.499 4.839 4.340 0.000 0.000 0.278 107 R C 0.399 176.661 176.300 -0.062 0.000 1.010 107 R CA 0.019 56.063 56.100 -0.094 0.000 0.896 107 R CB 1.641 31.929 30.300 -0.021 0.000 1.211 107 R HN 0.070 nan 8.270 nan 0.000 0.456 108 S N 0.657 116.355 115.700 -0.004 0.000 2.387 108 S HA -0.195 4.276 4.470 0.000 0.000 0.226 108 S C 1.251 175.883 174.600 0.053 0.000 1.026 108 S CA 1.571 59.780 58.200 0.016 0.000 0.972 108 S CB -0.364 62.845 63.200 0.015 0.000 0.814 108 S HN 0.781 nan 8.310 nan 0.000 0.477 109 D N -0.024 120.410 120.400 0.057 0.000 2.263 109 D HA -0.175 4.465 4.640 0.000 0.000 0.208 109 D C 1.495 177.842 176.300 0.078 0.000 0.971 109 D CA 0.745 54.781 54.000 0.059 0.000 0.867 109 D CB -1.033 39.796 40.800 0.049 0.000 0.929 109 D HN 0.704 nan 8.370 nan 0.000 0.492 110 W N 0.780 122.014 121.300 -0.109 0.000 2.409 110 W HA 0.113 4.774 4.660 0.000 0.000 0.299 110 W C 1.950 178.408 176.519 -0.102 0.000 1.203 110 W CA 0.861 58.128 57.345 -0.131 0.000 1.298 110 W CB -0.124 29.186 29.460 -0.249 0.000 1.127 110 W HN -0.076 nan 8.180 nan 0.000 0.528 111 L N 0.304 121.690 121.223 0.272 0.000 2.217 111 L HA -0.119 4.221 4.340 0.000 0.000 0.211 111 L C 2.290 179.247 176.870 0.145 0.000 1.107 111 L CA 1.236 56.191 54.840 0.193 0.000 0.783 111 L CB -0.630 41.486 42.059 0.095 0.000 0.919 111 L HN 0.013 nan 8.230 nan 0.000 0.442 112 E N 0.033 120.282 120.200 0.083 0.000 2.051 112 E HA -0.273 4.077 4.350 0.000 0.000 0.192 112 E C 2.031 178.649 176.600 0.030 0.000 0.991 112 E CA 1.235 57.672 56.400 0.062 0.000 0.799 112 E CB 0.039 29.759 29.700 0.034 0.000 0.748 112 E HN 0.402 nan 8.360 nan 0.000 0.449 113 E N -0.174 120.003 120.200 -0.040 0.000 2.204 113 E HA -0.147 4.203 4.350 0.000 0.000 0.194 113 E C 1.747 178.270 176.600 -0.128 0.000 0.989 113 E CA 0.792 57.130 56.400 -0.104 0.000 0.824 113 E CB 0.058 29.647 29.700 -0.185 0.000 0.756 113 E HN 0.218 nan 8.360 nan 0.000 0.477 114 A N -0.222 122.507 122.820 -0.153 0.000 2.021 114 A HA 0.015 4.336 4.320 0.000 0.000 0.216 114 A C 2.184 179.928 177.584 0.267 0.000 1.163 114 A CA 0.670 52.663 52.037 -0.073 0.000 0.676 114 A CB 0.009 18.835 19.000 -0.291 0.000 0.818 114 A HN 0.130 nan 8.150 nan 0.000 0.453 115 S N -0.011 115.868 115.700 0.299 0.000 2.402 115 S HA -0.010 4.461 4.470 0.000 0.000 0.229 115 S C 2.123 176.853 174.600 0.217 0.000 1.021 115 S CA 1.038 59.403 58.200 0.274 0.000 0.974 115 S CB -0.219 63.123 63.200 0.236 0.000 0.800 115 S HN 0.750 nan 8.310 nan 0.000 0.484 116 A N 0.402 123.302 122.820 0.133 0.000 2.067 116 A HA 0.226 4.546 4.320 0.000 0.000 0.217 116 A C 1.727 179.362 177.584 0.086 0.000 1.156 116 A CA 0.738 52.822 52.037 0.079 0.000 0.683 116 A CB -0.210 18.813 19.000 0.038 0.000 0.808 116 A HN 0.480 nan 8.150 nan 0.000 0.455 117 L N -2.509 118.787 121.223 0.121 0.000 2.664 117 L HA 0.306 4.646 4.340 0.000 0.000 0.233 117 L C 0.000 177.018 176.870 0.247 0.000 1.113 117 L CA -0.079 54.836 54.840 0.125 0.000 0.896 117 L CB 0.378 42.474 42.059 0.061 0.000 1.163 117 L HN 0.401 nan 8.230 nan 0.000 0.497 118 Y N -0.563 119.814 120.300 0.128 0.000 2.477 118 Y HA 0.526 5.076 4.550 0.000 0.000 0.347 118 Y C -0.524 175.523 175.900 0.245 0.000 0.981 118 Y CA -1.398 56.803 58.100 0.168 0.000 1.033 118 Y CB 2.208 40.797 38.460 0.215 0.000 1.245 118 Y HN -0.258 nan 8.280 nan 0.000 0.455 119 S N 4.038 119.476 115.700 -0.437 0.000 2.787 119 S HA 0.505 4.975 4.470 0.000 0.000 0.140 119 S C -0.162 174.081 174.600 -0.595 0.000 1.240 119 S CA -0.289 57.715 58.200 -0.326 0.000 1.163 119 S CB -0.048 63.066 63.200 -0.144 0.000 1.652 119 S HN 1.449 nan 8.310 nan 0.000 0.443 120 G N 3.787 111.845 108.800 -1.237 0.000 2.749 120 G HA2 -0.205 3.755 3.960 0.000 0.000 0.242 120 G HA3 -0.205 3.755 3.960 0.000 0.000 0.242 120 G C -1.736 172.789 174.900 -0.625 0.000 1.364 120 G CA 0.065 44.397 45.100 -1.280 0.000 0.888 120 G HN 0.396 nan 8.290 nan 0.000 0.566 121 P HA 0.246 nan 4.420 nan 0.000 0.252 121 P C 0.378 177.365 177.300 -0.521 0.000 1.218 121 P CA 0.230 62.905 63.100 -0.707 0.000 0.807 121 P CB 0.228 31.568 31.700 -0.600 0.000 1.072 122 F N 3.574 123.505 119.950 -0.032 0.000 2.429 122 F HA 0.310 4.837 4.527 0.000 0.000 0.348 122 F C -1.553 174.348 175.800 0.169 0.000 1.109 122 F CA -2.672 55.384 58.000 0.092 0.000 1.232 122 F CB -0.508 38.566 39.000 0.124 0.000 1.157 122 F HN -0.090 nan 8.300 nan 0.000 0.564 123 P HA 0.384 nan 4.420 nan 0.000 0.282 123 P C -0.791 176.479 177.300 -0.051 0.000 1.249 123 P CA -0.190 63.009 63.100 0.164 0.000 0.806 123 P CB 1.546 33.250 31.700 0.006 0.000 0.984 124 I N 2.375 122.884 120.570 -0.102 0.000 2.378 124 I HA 0.313 4.483 4.170 0.000 0.000 0.291 124 I C 0.307 176.046 176.117 -0.630 0.000 0.992 124 I CA -0.779 60.286 61.300 -0.392 0.000 1.154 124 I CB 0.897 38.575 38.000 -0.536 0.000 1.315 124 I HN 0.323 nan 8.210 nan 0.000 0.448 125 H N 5.523 124.396 119.070 -0.328 0.000 2.562 125 H HA 0.486 5.043 4.556 0.000 0.000 0.314 125 H C -1.079 174.025 175.328 -0.374 0.000 1.079 125 H CA -0.073 55.853 56.048 -0.203 0.000 1.349 125 H CB 0.955 30.693 29.762 -0.040 0.000 1.432 125 H HN 0.330 nan 8.280 nan 0.000 0.479 126 F N 1.517 121.550 119.950 0.138 0.000 2.522 126 F HA 0.310 4.837 4.527 0.000 0.000 0.324 126 F C 0.314 176.166 175.800 0.088 0.000 1.077 126 F CA -0.586 57.464 58.000 0.083 0.000 0.944 126 F CB 1.392 40.368 39.000 -0.040 0.000 1.175 126 F HN 0.526 nan 8.300 nan 0.000 0.468 127 H N 3.554 122.803 119.070 0.298 0.000 2.708 127 H HA 0.285 4.841 4.556 0.000 0.000 0.320 127 H C -0.647 174.854 175.328 0.287 0.000 0.991 127 H CA -0.799 55.424 56.048 0.292 0.000 1.243 127 H CB 2.206 32.145 29.762 0.296 0.000 1.446 127 H HN 0.442 nan 8.280 nan 0.000 0.502 131 D N 2.026 122.359 120.400 -0.112 0.000 2.380 131 D HA 0.340 4.980 4.640 0.000 0.000 0.230 131 D C 0.708 176.971 176.300 -0.062 0.000 1.154 131 D CA 0.231 54.174 54.000 -0.095 0.000 0.859 131 D CB 1.150 41.919 40.800 -0.053 0.000 1.045 131 D HN 0.694 nan 8.370 nan 0.000 0.495 132 T N 0.215 114.707 114.554 -0.103 0.000 3.092 132 T HA 0.422 4.773 4.350 0.000 0.000 0.258 132 T C 1.160 175.819 174.700 -0.070 0.000 1.031 132 T CA 0.136 62.154 62.100 -0.136 0.000 0.925 132 T CB 0.619 69.353 68.868 -0.223 0.000 1.036 132 T HN 0.433 nan 8.240 nan 0.000 0.544 133 G N 0.982 109.830 108.800 0.079 0.000 3.288 133 G HA2 -0.074 3.886 3.960 0.000 0.000 0.219 133 G HA3 -0.074 3.886 3.960 0.000 0.000 0.219 133 G C 0.501 175.603 174.900 0.337 0.000 0.944 133 G CA 0.190 45.465 45.100 0.292 0.000 0.854 133 G HN 0.307 nan 8.290 nan 0.000 0.632 134 M N 1.222 120.927 119.600 0.176 0.000 2.435 134 M HA 0.440 4.920 4.480 0.000 0.000 0.265 134 M C 1.925 178.273 176.300 0.080 0.000 1.104 134 M CA 2.176 57.562 55.300 0.144 0.000 1.140 134 M CB -0.011 32.653 32.600 0.107 0.000 1.372 134 M HN 1.300 nan 8.290 nan 0.000 0.456 135 G N 0.733 109.564 108.800 0.051 0.000 2.153 135 G HA2 -0.350 3.610 3.960 0.000 0.000 0.252 135 G HA3 -0.350 3.610 3.960 0.000 0.000 0.252 135 G C 0.919 175.799 174.900 -0.033 0.000 0.994 135 G CA 0.879 45.990 45.100 0.018 0.000 0.698 135 G HN 0.550 nan 8.290 nan 0.000 0.521 136 R N -0.956 119.503 120.500 -0.068 0.000 1.950 136 R HA 0.654 4.994 4.340 0.000 0.000 0.200 136 R C 0.827 176.987 176.300 -0.233 0.000 1.476 136 R CA 0.443 56.470 56.100 -0.122 0.000 1.145 136 R CB 0.085 30.325 30.300 -0.101 0.000 0.942 136 R HN 0.341 nan 8.270 nan 0.000 0.484 137 L N -0.476 120.546 121.223 -0.336 0.000 2.323 137 L HA 0.646 4.986 4.340 0.000 0.000 0.265 137 L C -0.529 176.068 176.870 -0.455 0.000 1.012 137 L CA -0.614 53.852 54.840 -0.624 0.000 0.820 137 L CB 2.282 43.776 42.059 -0.940 0.000 1.334 137 L HN 0.723 nan 8.230 nan 0.000 0.427 138 G N 0.263 108.819 108.800 -0.407 0.000 2.465 138 G HA2 0.160 4.121 3.960 0.000 0.000 0.681 138 G HA3 0.160 4.121 3.960 0.000 0.000 0.681 138 G C -1.092 173.807 174.900 -0.002 0.000 1.340 138 G CA -0.554 44.463 45.100 -0.139 0.000 0.884 138 G HN 0.664 nan 8.290 nan 0.000 0.650 139 V N -1.139 118.803 119.914 0.046 0.000 2.881 139 V HA 0.731 4.851 4.120 0.000 0.000 0.303 139 V C 1.022 177.169 176.094 0.090 0.000 1.070 139 V CA 0.326 62.676 62.300 0.083 0.000 1.074 139 V CB 1.592 33.475 31.823 0.101 0.000 1.012 139 V HN 0.899 nan 8.190 nan 0.000 0.482 140 K N 0.314 120.785 120.400 0.119 0.000 2.477 140 K HA 0.299 4.619 4.320 0.000 0.000 0.208 140 K C -0.452 176.283 176.600 0.225 0.000 1.117 140 K CA -0.184 56.197 56.287 0.157 0.000 1.039 140 K CB 0.540 33.104 32.500 0.105 0.000 0.937 140 K HN 0.913 nan 8.250 nan 0.000 0.570 141 D N 0.089 120.581 120.400 0.154 0.000 2.490 141 D HA 0.037 4.678 4.640 0.000 0.000 0.232 141 D C 0.077 176.185 176.300 -0.320 0.000 1.053 141 D CA -0.371 53.593 54.000 -0.061 0.000 0.914 141 D CB 2.127 42.868 40.800 -0.098 0.000 1.431 141 D HN -0.050 nan 8.370 nan 0.000 0.483 142 E N 0.630 120.305 120.200 -0.874 0.000 2.112 142 E HA -0.148 4.202 4.350 0.000 0.000 0.190 142 E C 1.692 178.048 176.600 -0.407 0.000 0.979 142 E CA 0.827 56.626 56.400 -1.001 0.000 0.814 142 E CB 0.292 29.129 29.700 -1.439 0.000 0.762 142 E HN 0.573 nan 8.360 nan 0.000 0.460 143 E N 0.608 120.636 120.200 -0.287 0.000 2.051 143 E HA -0.276 4.074 4.350 0.000 0.000 0.192 143 E C 2.009 178.551 176.600 -0.097 0.000 0.991 143 E CA 1.476 57.781 56.400 -0.158 0.000 0.799 143 E CB -0.254 29.378 29.700 -0.114 0.000 0.748 143 E HN 0.099 nan 8.360 nan 0.000 0.449 144 E N 0.764 120.919 120.200 -0.075 0.000 2.077 144 E HA -0.131 4.220 4.350 0.000 0.000 0.193 144 E C 2.011 178.607 176.600 -0.006 0.000 0.989 144 E CA 2.150 58.535 56.400 -0.025 0.000 0.800 144 E CB -0.390 29.311 29.700 0.001 0.000 0.746 144 E HN 0.341 nan 8.360 nan 0.000 0.452 145 T N 0.489 115.047 114.554 0.008 0.000 2.788 145 T HA -0.126 4.224 4.350 0.000 0.000 0.268 145 T C 1.617 176.332 174.700 0.024 0.000 1.044 145 T CA 1.579 63.713 62.100 0.056 0.000 1.139 145 T CB -0.156 68.815 68.868 0.173 0.000 0.867 145 T HN 0.182 nan 8.240 nan 0.000 0.454 146 K N 0.334 120.727 120.400 -0.011 0.000 2.217 146 K HA 0.085 4.405 4.320 0.000 0.000 0.202 146 K C 2.555 179.152 176.600 -0.006 0.000 1.051 146 K CA 0.579 56.859 56.287 -0.011 0.000 0.952 146 K CB -0.022 32.454 32.500 -0.040 0.000 0.736 146 K HN 0.101 nan 8.250 nan 0.000 0.453 147 R N 0.982 121.475 120.500 -0.012 0.000 2.066 147 R HA 0.003 4.343 4.340 0.000 0.000 0.232 147 R C 2.107 178.410 176.300 0.005 0.000 1.131 147 R CA 1.140 57.238 56.100 -0.003 0.000 0.955 147 R CB -0.158 30.138 30.300 -0.007 0.000 0.851 147 R HN 0.084 nan 8.270 nan 0.000 0.432 148 I N -0.189 120.379 120.570 -0.004 0.000 2.226 148 I HA -0.280 3.891 4.170 0.000 0.000 0.245 148 I C 1.950 178.062 176.117 -0.008 0.000 1.100 148 I CA 1.066 62.352 61.300 -0.022 0.000 1.374 148 I CB -0.072 37.901 38.000 -0.046 0.000 1.057 148 I HN 0.035 nan 8.210 nan 0.000 0.413 149 V N 0.734 120.653 119.914 0.008 0.000 2.427 149 V HA -0.268 3.853 4.120 0.000 0.000 0.248 149 V C 2.595 178.715 176.094 0.043 0.000 1.051 149 V CA 1.868 64.184 62.300 0.026 0.000 1.048 149 V CB -0.962 30.877 31.823 0.027 0.000 0.666 149 V HN 0.489 nan 8.190 nan 0.000 0.456 150 A N -0.198 122.643 122.820 0.035 0.000 1.855 150 A HA -0.121 4.199 4.320 0.000 0.000 0.215 150 A C 2.188 179.810 177.584 0.063 0.000 1.191 150 A CA 1.593 53.654 52.037 0.040 0.000 0.613 150 A CB -0.584 18.430 19.000 0.024 0.000 0.829 150 A HN 0.460 nan 8.150 nan 0.000 0.442 151 L N -0.395 120.870 121.223 0.070 0.000 2.127 151 L HA -0.193 4.147 4.340 0.000 0.000 0.211 151 L C 2.382 179.372 176.870 0.200 0.000 1.089 151 L CA 1.138 56.046 54.840 0.113 0.000 0.757 151 L CB -0.339 41.782 42.059 0.103 0.000 0.899 151 L HN 0.413 nan 8.230 nan 0.000 0.434 152 I N -1.047 119.629 120.570 0.178 0.000 2.406 152 I HA -0.209 3.961 4.170 0.000 0.000 0.249 152 I C 2.449 178.710 176.117 0.239 0.000 1.122 152 I CA 0.734 62.199 61.300 0.274 0.000 1.431 152 I CB -0.035 38.048 38.000 0.139 0.000 1.087 152 I HN 0.200 nan 8.210 nan 0.000 0.424 153 E N 1.137 121.422 120.200 0.142 0.000 2.106 153 E HA -0.161 4.189 4.350 0.000 0.000 0.192 153 E C 2.273 178.922 176.600 0.081 0.000 0.984 153 E CA 1.197 57.659 56.400 0.104 0.000 0.806 153 E CB 0.008 29.748 29.700 0.067 0.000 0.750 153 E HN 0.172 nan 8.360 nan 0.000 0.458 154 R N -0.567 119.976 120.500 0.073 0.000 2.081 154 R HA -0.075 4.265 4.340 0.000 0.000 0.235 154 R C 0.775 177.070 176.300 -0.009 0.000 1.131 154 R CA 0.721 56.837 56.100 0.026 0.000 0.960 154 R CB -0.295 30.016 30.300 0.019 0.000 0.856 154 R HN 0.272 nan 8.270 nan 0.000 0.436 155 H N 1.420 120.423 119.070 -0.112 0.000 2.722 155 H HA 0.051 4.607 4.556 0.000 0.000 0.328 155 H C -1.636 173.570 175.328 -0.204 0.000 1.067 155 H CA -1.727 54.156 56.048 -0.276 0.000 1.447 155 H CB 1.734 31.070 29.762 -0.710 0.000 1.469 155 H HN 0.015 nan 8.280 nan 0.000 0.544 156 P HA -0.077 nan 4.420 nan 0.000 0.229 156 P C 0.571 177.737 177.300 -0.224 0.000 1.160 156 P CA 1.051 63.997 63.100 -0.257 0.000 0.777 156 P CB 0.544 31.956 31.700 -0.480 0.000 0.814 157 H N -1.914 117.328 119.070 0.287 0.000 2.586 157 H HA 0.234 4.790 4.556 0.000 0.000 0.273 157 H C 0.223 175.825 175.328 0.457 0.000 0.997 157 H CA -0.229 56.001 56.048 0.302 0.000 1.177 157 H CB -0.008 29.922 29.762 0.278 0.000 1.471 157 H HN 0.088 nan 8.280 nan 0.000 0.538 158 F N 1.492 121.618 119.950 0.294 0.000 2.408 158 F HA 0.356 4.883 4.527 0.000 0.000 0.344 158 F C 0.396 176.348 175.800 0.253 0.000 1.112 158 F CA -1.363 56.827 58.000 0.317 0.000 1.096 158 F CB 1.394 40.582 39.000 0.313 0.000 1.129 158 F HN -0.332 nan 8.300 nan 0.000 0.486 159 V N 5.045 125.201 119.914 0.403 0.000 2.588 159 V HA 0.321 4.441 4.120 0.000 0.000 0.304 159 V C -0.770 175.509 176.094 0.309 0.000 1.042 159 V CA -0.895 61.571 62.300 0.277 0.000 0.877 159 V CB 2.388 34.315 31.823 0.174 0.000 0.996 159 V HN 0.474 nan 8.190 nan 0.000 0.425 160 L N 3.724 125.088 121.223 0.235 0.000 2.302 160 L HA 0.418 4.758 4.340 0.000 0.000 0.285 160 L C 1.108 178.028 176.870 0.085 0.000 1.090 160 L CA 0.720 55.662 54.840 0.170 0.000 0.866 160 L CB 0.522 42.650 42.059 0.115 0.000 1.244 160 L HN 0.848 nan 8.230 nan 0.000 0.435 161 E N 2.652 122.861 120.200 0.014 0.000 2.250 161 E HA 0.207 4.557 4.350 0.000 0.000 0.192 161 E C 0.497 176.912 176.600 -0.308 0.000 0.986 161 E CA 0.525 56.865 56.400 -0.099 0.000 0.849 161 E CB 0.430 30.082 29.700 -0.080 0.000 0.797 161 E HN 0.794 nan 8.360 nan 0.000 0.482 162 G N 0.230 108.709 108.800 -0.534 0.000 2.687 162 G HA2 0.539 4.499 3.960 0.000 0.000 0.291 162 G HA3 0.539 4.499 3.960 0.000 0.000 0.291 162 G C -2.075 172.800 174.900 -0.040 0.000 1.420 162 G CA -0.636 44.238 45.100 -0.377 0.000 0.796 162 G HN 0.059 nan 8.290 nan 0.000 0.485 163 L N 0.364 121.658 121.223 0.118 0.000 2.588 163 L HA 0.755 5.095 4.340 0.000 0.000 0.263 163 L C -1.637 175.270 176.870 0.062 0.000 0.935 163 L CA -1.012 53.900 54.840 0.119 0.000 0.891 163 L CB 1.435 43.514 42.059 0.034 0.000 1.318 163 L HN 0.980 nan 8.230 nan 0.000 0.409 164 Y N 1.440 121.608 120.300 -0.220 0.000 2.670 164 Y HA 0.902 5.452 4.550 0.000 0.000 0.334 164 Y C -0.972 174.675 175.900 -0.421 0.000 1.185 164 Y CA -0.787 57.028 58.100 -0.476 0.000 1.053 164 Y CB 1.425 39.362 38.460 -0.871 0.000 1.298 164 Y HN 0.641 nan 8.280 nan 0.000 0.459 165 T N -0.281 113.900 114.554 -0.623 0.000 2.812 165 T HA 0.545 4.895 4.350 0.000 0.000 0.294 165 T C -2.421 171.977 174.700 -0.503 0.000 1.159 165 T CA -0.471 61.209 62.100 -0.700 0.000 1.008 165 T CB 1.356 69.643 68.868 -0.968 0.000 1.289 165 T HN 0.995 nan 8.240 nan 0.000 0.514 166 H N 0.103 118.816 119.070 -0.594 0.000 2.865 166 H HA 0.603 5.159 4.556 0.000 0.000 0.362 166 H C -1.552 173.540 175.328 -0.394 0.000 1.114 166 H CA -0.662 55.123 56.048 -0.438 0.000 1.208 166 H CB 0.613 30.287 29.762 -0.146 0.000 1.727 166 H HN 0.379 nan 8.280 nan 0.000 0.534 167 F N 2.762 122.553 119.950 -0.265 0.000 2.396 167 F HA 0.417 4.945 4.527 0.001 0.000 0.343 167 F C 1.364 177.114 175.800 -0.083 0.000 1.104 167 F CA 0.053 58.016 58.000 -0.062 0.000 1.161 167 F CB 1.318 40.433 39.000 0.191 0.000 1.146 167 F HN 0.751 nan 8.300 nan 0.000 0.522 168 A N 1.387 124.403 122.820 0.326 0.000 2.030 168 A HA 0.036 4.356 4.320 0.000 0.000 0.215 168 A C 1.408 179.114 177.584 0.204 0.000 1.164 168 A CA 1.345 53.520 52.037 0.230 0.000 0.697 168 A CB -0.590 18.558 19.000 0.247 0.000 0.827 168 A HN 0.758 nan 8.150 nan 0.000 0.457 169 T N -4.752 109.987 114.554 0.308 0.000 3.393 169 T HA 0.545 4.896 4.350 0.000 0.000 0.298 169 T C 1.066 175.847 174.700 0.135 0.000 1.004 169 T CA 0.580 62.800 62.100 0.201 0.000 0.956 169 T CB 0.283 69.284 68.868 0.222 0.000 1.182 169 T HN 0.394 nan 8.240 nan 0.000 0.497 170 A N 2.516 125.410 122.820 0.123 0.000 2.125 170 A HA -0.042 4.278 4.320 0.000 0.000 0.219 170 A C 1.955 179.424 177.584 -0.191 0.000 1.156 170 A CA 1.391 53.319 52.037 -0.182 0.000 0.671 170 A CB -0.416 18.573 19.000 -0.017 0.000 0.794 170 A HN 0.745 nan 8.150 nan 0.000 0.459 171 D N -0.706 119.664 120.400 -0.049 0.000 2.342 171 D HA 0.101 4.741 4.640 0.000 0.000 0.221 171 D C -0.074 176.203 176.300 -0.039 0.000 1.101 171 D CA -0.038 53.937 54.000 -0.042 0.000 0.837 171 D CB -0.081 40.735 40.800 0.027 0.000 0.938 171 D HN 0.387 nan 8.370 nan 0.000 0.508 172 E N 0.315 120.493 120.200 -0.037 0.000 2.197 172 E HA 0.168 4.518 4.350 0.000 0.000 0.281 172 E C 1.581 178.164 176.600 -0.028 0.000 0.995 172 E CA -0.522 55.868 56.400 -0.017 0.000 0.808 172 E CB 2.369 32.079 29.700 0.016 0.000 1.093 172 E HN -0.079 nan 8.360 nan 0.000 0.394 173 V N 1.610 121.511 119.914 -0.022 0.000 2.324 173 V HA -0.209 3.911 4.120 0.000 0.000 0.250 173 V C 0.923 177.023 176.094 0.009 0.000 1.060 173 V CA 1.296 63.585 62.300 -0.018 0.000 1.042 173 V CB -0.469 31.346 31.823 -0.014 0.000 0.650 173 V HN 0.611 nan 8.190 nan 0.000 0.450 174 N N 2.055 120.767 118.700 0.021 0.000 2.411 174 N HA 0.070 4.810 4.740 0.000 0.000 0.259 174 N C 0.812 176.363 175.510 0.068 0.000 1.103 174 N CA 0.766 53.841 53.050 0.042 0.000 0.954 174 N CB 1.451 39.962 38.487 0.040 0.000 1.085 174 N HN 0.667 nan 8.380 nan 0.000 0.485 175 T N -0.042 114.560 114.554 0.080 0.000 3.278 175 T HA 0.113 4.463 4.350 0.000 0.000 0.251 175 T C 0.647 175.444 174.700 0.161 0.000 1.039 175 T CA -0.279 61.894 62.100 0.122 0.000 0.935 175 T CB 0.162 69.080 68.868 0.084 0.000 1.034 175 T HN 0.254 nan 8.240 nan 0.000 0.575 176 D N 1.072 121.561 120.400 0.149 0.000 2.097 176 D HA -0.075 4.565 4.640 0.000 0.000 0.195 176 D C 1.332 177.769 176.300 0.228 0.000 0.989 176 D CA 1.135 55.227 54.000 0.153 0.000 0.827 176 D CB -0.317 40.561 40.800 0.131 0.000 0.966 176 D HN 0.484 nan 8.370 nan 0.000 0.456 177 Y N -0.129 120.264 120.300 0.156 0.000 2.314 177 Y HA -0.114 4.436 4.550 0.000 0.000 0.293 177 Y C 2.036 178.097 175.900 0.269 0.000 1.129 177 Y CA 0.624 58.854 58.100 0.216 0.000 1.201 177 Y CB -0.302 38.267 38.460 0.181 0.000 0.999 177 Y HN -0.132 nan 8.280 nan 0.000 0.541 178 F N -0.017 120.002 119.950 0.115 0.000 2.095 178 F HA -0.254 4.273 4.527 0.000 0.000 0.298 178 F C 2.521 178.264 175.800 -0.095 0.000 1.104 178 F CA 2.022 59.984 58.000 -0.062 0.000 1.232 178 F CB -0.860 38.048 39.000 -0.154 0.000 0.987 178 F HN -0.097 nan 8.300 nan 0.000 0.475 179 S N -0.920 114.779 115.700 -0.001 0.000 2.368 179 S HA -0.239 4.231 4.470 0.000 0.000 0.225 179 S C 1.788 176.367 174.600 -0.036 0.000 1.030 179 S CA 1.313 59.471 58.200 -0.070 0.000 0.999 179 S CB -0.805 62.392 63.200 -0.004 0.000 0.844 179 S HN 0.636 nan 8.310 nan 0.000 0.459 180 Y N 2.223 122.449 120.300 -0.123 0.000 2.114 180 Y HA -0.159 4.392 4.550 0.000 0.000 0.284 180 Y C 2.321 178.126 175.900 -0.158 0.000 1.143 180 Y CA 1.721 59.729 58.100 -0.153 0.000 1.135 180 Y CB -0.810 37.495 38.460 -0.257 0.000 0.980 180 Y HN 0.236 nan 8.280 nan 0.000 0.499 181 Q N -1.295 118.220 119.800 -0.475 0.000 2.096 181 Q HA -0.272 4.068 4.340 0.000 0.000 0.204 181 Q C 2.159 178.071 176.000 -0.148 0.000 0.982 181 Q CA 2.115 57.681 55.803 -0.394 0.000 0.850 181 Q CB -0.586 28.120 28.738 -0.054 0.000 0.901 181 Q HN 0.694 nan 8.270 nan 0.000 0.422 182 Y N 0.978 121.144 120.300 -0.225 0.000 2.200 182 Y HA -0.207 4.343 4.550 0.000 0.000 0.290 182 Y C 2.322 178.200 175.900 -0.037 0.000 1.137 182 Y CA 1.751 59.796 58.100 -0.092 0.000 1.163 182 Y CB -0.119 38.153 38.460 -0.313 0.000 0.988 182 Y HN -0.000 nan 8.280 nan 0.000 0.518 183 T N 0.565 115.141 114.554 0.037 0.000 2.821 183 T HA -0.120 4.230 4.350 0.000 0.000 0.267 183 T C 1.999 176.621 174.700 -0.130 0.000 1.046 183 T CA 1.094 63.181 62.100 -0.021 0.000 1.139 183 T CB -0.155 68.709 68.868 -0.006 0.000 0.871 183 T HN 0.239 nan 8.240 nan 0.000 0.454 184 R N -0.094 120.257 120.500 -0.249 0.000 2.075 184 R HA -0.010 4.330 4.340 0.000 0.000 0.232 184 R C 2.210 178.369 176.300 -0.236 0.000 1.126 184 R CA 0.969 56.898 56.100 -0.286 0.000 0.963 184 R CB -0.594 29.390 30.300 -0.526 0.000 0.858 184 R HN 0.380 nan 8.270 nan 0.000 0.435 185 F N 1.740 121.462 119.950 -0.380 0.000 2.102 185 F HA -0.182 4.345 4.527 0.000 0.000 0.298 185 F C 2.019 177.564 175.800 -0.426 0.000 1.105 185 F CA 1.323 59.073 58.000 -0.417 0.000 1.239 185 F CB -0.567 38.191 39.000 -0.404 0.000 0.991 185 F HN -0.081 nan 8.300 nan 0.000 0.474 186 L N -0.491 120.501 121.223 -0.385 0.000 1.990 186 L HA -0.324 4.016 4.340 0.000 0.000 0.213 186 L C 2.792 179.445 176.870 -0.361 0.000 1.072 186 L CA 2.124 56.731 54.840 -0.389 0.000 0.755 186 L CB -1.316 40.620 42.059 -0.206 0.000 0.889 186 L HN 0.317 nan 8.230 nan 0.000 0.432 187 H N 0.018 118.868 119.070 -0.367 0.000 2.352 187 H HA -0.209 4.347 4.556 0.000 0.000 0.299 187 H C 2.351 177.236 175.328 -0.739 0.000 1.097 187 H CA 1.893 57.704 56.048 -0.395 0.000 1.311 187 H CB 0.093 29.684 29.762 -0.285 0.000 1.377 187 H HN 0.289 nan 8.280 nan 0.000 0.504 188 M N 0.393 119.305 119.600 -1.146 0.000 2.159 188 M HA -0.150 4.330 4.480 0.000 0.000 0.263 188 M C 2.514 178.208 176.300 -1.010 0.000 1.063 188 M CA 1.020 55.385 55.300 -1.557 0.000 1.110 188 M CB -0.010 32.008 32.600 -0.969 0.000 1.374 188 M HN 0.285 nan 8.290 nan 0.000 0.411 189 L N -0.441 120.303 121.223 -0.799 0.000 2.265 189 L HA -0.178 4.162 4.340 0.000 0.000 0.215 189 L C 2.179 178.818 176.870 -0.384 0.000 1.117 189 L CA 0.793 55.268 54.840 -0.608 0.000 0.782 189 L CB -0.597 41.032 42.059 -0.717 0.000 0.914 189 L HN 0.251 nan 8.230 nan 0.000 0.441 190 E N -0.433 119.530 120.200 -0.394 0.000 2.427 190 E HA -0.163 4.188 4.350 0.000 0.000 0.196 190 E C 1.501 178.097 176.600 -0.007 0.000 1.028 190 E CA 0.597 56.891 56.400 -0.176 0.000 0.864 190 E CB -0.034 29.587 29.700 -0.132 0.000 0.813 190 E HN 0.337 nan 8.360 nan 0.000 0.514 191 W N 0.449 121.632 121.300 -0.195 0.000 3.077 191 W HA 0.214 4.874 4.660 0.000 0.000 0.245 191 W C -0.220 176.234 176.519 -0.109 0.000 1.316 191 W CA -0.092 57.162 57.345 -0.152 0.000 1.537 191 W CB -0.624 28.729 29.460 -0.179 0.000 1.131 191 W HN -0.015 nan 8.180 nan 0.000 0.695 192 L N 2.517 123.785 121.223 0.076 0.000 2.317 192 L HA 0.237 4.577 4.340 0.000 0.000 0.281 192 L C -0.341 176.539 176.870 0.017 0.000 1.024 192 L CA -1.770 53.089 54.840 0.031 0.000 0.810 192 L CB 1.736 43.783 42.059 -0.021 0.000 1.240 192 L HN -0.362 nan 8.230 nan 0.000 0.427 193 P HA -0.108 nan 4.420 nan 0.000 0.216 193 P C 0.132 177.438 177.300 0.009 0.000 1.153 193 P CA 0.987 64.096 63.100 0.016 0.000 0.858 193 P CB 0.241 31.953 31.700 0.019 0.000 0.789 194 S N -2.097 113.607 115.700 0.006 0.000 2.556 194 S HA 0.478 4.949 4.470 0.000 0.000 0.271 194 S C -0.397 174.198 174.600 -0.009 0.000 1.135 194 S CA -1.141 57.060 58.200 0.002 0.000 0.858 194 S CB 2.145 65.353 63.200 0.014 0.000 1.114 194 S HN -0.189 nan 8.310 nan 0.000 0.468 195 R N 2.284 122.775 120.500 -0.016 0.000 2.401 195 R HA 0.389 4.729 4.340 0.000 0.000 0.299 195 R C -2.051 174.248 176.300 -0.001 0.000 1.064 195 R CA -1.181 54.903 56.100 -0.028 0.000 1.000 195 R CB 0.004 30.295 30.300 -0.016 0.000 0.973 195 R HN 0.626 nan 8.270 nan 0.000 0.438 196 P HA 0.249 nan 4.420 nan 0.000 0.279 196 P C -2.014 175.306 177.300 0.034 0.000 1.276 196 P CA -1.206 61.905 63.100 0.018 0.000 0.801 196 P CB 0.427 32.130 31.700 0.005 0.000 1.127 197 P HA -0.010 nan 4.420 nan 0.000 0.218 197 P C 0.323 177.688 177.300 0.108 0.000 1.149 197 P CA 1.321 64.464 63.100 0.071 0.000 0.817 197 P CB 0.299 32.039 31.700 0.068 0.000 0.785 198 L N 0.330 121.621 121.223 0.114 0.000 2.294 198 L HA 0.374 4.714 4.340 0.000 0.000 0.283 198 L C -0.404 176.626 176.870 0.267 0.000 1.015 198 L CA -0.838 54.131 54.840 0.214 0.000 0.831 198 L CB 2.304 44.519 42.059 0.261 0.000 1.217 198 L HN -0.339 nan 8.230 nan 0.000 0.420 199 V N 2.894 122.963 119.914 0.259 0.000 2.448 199 V HA 0.496 4.617 4.120 0.000 0.000 0.295 199 V C -0.672 175.616 176.094 0.324 0.000 1.025 199 V CA -0.556 61.849 62.300 0.174 0.000 0.859 199 V CB 1.585 33.380 31.823 -0.046 0.000 0.988 199 V HN 0.885 nan 8.190 nan 0.000 0.431 200 H N 1.461 120.627 119.070 0.161 0.000 3.012 200 H HA 0.696 5.252 4.556 0.000 0.000 0.367 200 H C 0.215 175.558 175.328 0.026 0.000 1.211 200 H CA -0.413 55.729 56.048 0.156 0.000 1.139 200 H CB 1.585 31.420 29.762 0.122 0.000 1.838 200 H HN 0.612 nan 8.280 nan 0.000 0.550 201 C N -0.173 119.206 119.300 0.130 0.000 4.061 201 C HA 0.780 5.240 4.460 0.000 0.000 0.568 201 C C 1.119 176.181 174.990 0.120 0.000 1.261 201 C CA 0.247 59.164 59.018 -0.168 0.000 2.569 201 C CB -0.399 27.159 27.740 -0.304 0.000 3.702 201 C HN 1.025 nan 8.230 nan 0.000 0.477 202 A N 3.663 126.739 122.820 0.427 0.000 2.425 202 A HA 0.557 4.878 4.320 0.000 0.000 0.249 202 A C 0.359 178.199 177.584 0.426 0.000 1.084 202 A CA 0.397 52.752 52.037 0.530 0.000 0.781 202 A CB 0.149 19.442 19.000 0.489 0.000 1.019 202 A HN 0.838 nan 8.150 nan 0.000 0.490 203 N N 1.108 120.074 118.700 0.442 0.000 2.717 203 N HA 0.296 5.036 4.740 0.000 0.000 0.314 203 N C 0.857 176.573 175.510 0.344 0.000 1.324 203 N CA -0.049 53.231 53.050 0.385 0.000 0.902 203 N CB -0.355 38.362 38.487 0.383 0.000 1.126 203 N HN 0.294 nan 8.380 nan 0.000 0.579 204 S N -0.364 115.502 115.700 0.276 0.000 2.343 204 S HA -0.093 4.378 4.470 0.000 0.000 0.219 204 S C 1.979 176.679 174.600 0.167 0.000 1.033 204 S CA 1.523 59.873 58.200 0.249 0.000 1.014 204 S CB -1.014 62.169 63.200 -0.028 0.000 0.915 204 S HN 0.743 nan 8.310 nan 0.000 0.435 205 A N 1.626 124.499 122.820 0.088 0.000 1.948 205 A HA -0.031 4.290 4.320 0.000 0.000 0.220 205 A C 2.325 179.838 177.584 -0.118 0.000 1.177 205 A CA 1.988 54.003 52.037 -0.036 0.000 0.636 205 A CB -1.097 17.878 19.000 -0.042 0.000 0.815 205 A HN 0.541 nan 8.150 nan 0.000 0.449 206 A N -0.014 122.824 122.820 0.030 0.000 1.872 206 A HA -0.011 4.309 4.320 0.000 0.000 0.214 206 A C 2.491 180.159 177.584 0.139 0.000 1.187 206 A CA 2.102 54.203 52.037 0.106 0.000 0.614 206 A CB -0.922 18.371 19.000 0.488 0.000 0.826 206 A HN 0.990 nan 8.150 nan 0.000 0.442 207 S N -0.211 115.604 115.700 0.191 0.000 2.428 207 S HA 0.036 4.506 4.470 0.000 0.000 0.230 207 S C 1.696 176.320 174.600 0.039 0.000 1.014 207 S CA 1.201 59.493 58.200 0.153 0.000 0.957 207 S CB -0.480 62.832 63.200 0.188 0.000 0.784 207 S HN 0.406 nan 8.310 nan 0.000 0.499 208 L N 0.072 121.287 121.223 -0.013 0.000 2.341 208 L HA 0.216 4.556 4.340 0.000 0.000 0.214 208 L C 2.987 179.727 176.870 -0.217 0.000 1.115 208 L CA 0.498 55.284 54.840 -0.090 0.000 0.820 208 L CB -0.164 41.837 42.059 -0.097 0.000 0.944 208 L HN 0.249 nan 8.230 nan 0.000 0.452 209 R N -0.545 119.723 120.500 -0.386 0.000 2.105 209 R HA 0.102 4.442 4.340 0.000 0.000 0.214 209 R C -0.081 175.685 176.300 -0.890 0.000 1.091 209 R CA 0.670 56.304 56.100 -0.776 0.000 1.007 209 R CB 0.381 29.921 30.300 -1.267 0.000 0.912 209 R HN 0.125 nan 8.270 nan 0.000 0.450 210 F N 0.351 120.282 119.950 -0.032 0.000 2.584 210 F HA 0.365 4.892 4.527 0.000 0.000 0.328 210 F C -1.974 173.844 175.800 0.030 0.000 1.407 210 F CA -2.857 55.137 58.000 -0.010 0.000 1.145 210 F CB 1.259 40.260 39.000 0.001 0.000 1.440 210 F HN -0.166 nan 8.300 nan 0.000 0.580 211 P HA -0.177 nan 4.420 nan 0.000 0.219 211 P C 1.175 178.523 177.300 0.080 0.000 1.146 211 P CA 1.574 64.722 63.100 0.080 0.000 0.808 211 P CB 0.196 31.917 31.700 0.035 0.000 0.779 212 D N -1.320 119.127 120.400 0.078 0.000 2.323 212 D HA -0.066 4.574 4.640 0.000 0.000 0.209 212 D C 1.162 177.470 176.300 0.013 0.000 0.973 212 D CA 0.497 54.519 54.000 0.036 0.000 0.874 212 D CB -0.217 40.599 40.800 0.027 0.000 0.930 212 D HN 0.145 nan 8.370 nan 0.000 0.521 213 R N 1.207 121.752 120.500 0.076 0.000 2.515 213 R HA 0.109 4.449 4.340 0.000 0.000 0.294 213 R C 1.174 177.618 176.300 0.240 0.000 1.021 213 R CA 0.223 56.370 56.100 0.080 0.000 1.081 213 R CB 0.149 30.445 30.300 -0.007 0.000 1.263 213 R HN 0.307 nan 8.270 nan 0.000 0.557 214 T N -3.221 111.448 114.554 0.192 0.000 3.060 214 T HA 0.157 4.507 4.350 0.000 0.000 0.249 214 T C 0.781 175.774 174.700 0.489 0.000 1.079 214 T CA -0.179 62.139 62.100 0.362 0.000 1.013 214 T CB -0.211 68.815 68.868 0.264 0.000 0.975 214 T HN 0.097 nan 8.240 nan 0.000 0.518 215 F N 2.735 122.812 119.950 0.212 0.000 2.183 215 F HA -0.332 4.196 4.527 0.000 0.000 0.318 215 F C 1.449 177.314 175.800 0.108 0.000 1.438 215 F CA 1.636 59.732 58.000 0.161 0.000 0.912 215 F CB -1.259 37.861 39.000 0.199 0.000 4.134 215 F HN 0.401 nan 8.300 nan 0.000 0.137 216 N N 1.110 120.014 118.700 0.340 0.000 2.177 216 N HA 0.280 5.020 4.740 0.000 0.000 0.218 216 N C -0.242 175.318 175.510 0.084 0.000 1.182 216 N CA 0.569 53.696 53.050 0.128 0.000 0.882 216 N CB 1.754 40.278 38.487 0.061 0.000 1.052 216 N HN 0.671 nan 8.380 nan 0.000 0.519 217 M N 1.722 121.440 119.600 0.197 0.000 2.322 217 M HA 0.290 4.771 4.480 0.000 0.000 0.285 217 M C -1.943 174.466 176.300 0.182 0.000 1.119 217 M CA -0.758 54.634 55.300 0.154 0.000 0.953 217 M CB 2.548 35.204 32.600 0.093 0.000 1.701 217 M HN -0.068 nan 8.290 nan 0.000 0.479 218 V N 2.029 122.021 119.914 0.130 0.000 2.667 218 V HA 0.726 4.846 4.120 0.000 0.000 0.308 218 V C -0.832 175.343 176.094 0.134 0.000 1.048 218 V CA -0.654 61.748 62.300 0.170 0.000 0.928 218 V CB 1.901 33.812 31.823 0.147 0.000 1.004 218 V HN 0.979 nan 8.190 nan 0.000 0.444 219 R N 3.604 124.222 120.500 0.196 0.000 2.332 219 R HA 0.422 4.762 4.340 0.000 0.000 0.306 219 R C -1.404 175.055 176.300 0.265 0.000 1.117 219 R CA -0.321 55.877 56.100 0.164 0.000 1.108 219 R CB 1.203 31.590 30.300 0.145 0.000 1.126 219 R HN 0.762 nan 8.270 nan 0.000 0.548 220 F N 2.292 122.259 119.950 0.028 0.000 2.413 220 F HA 0.378 4.905 4.527 0.000 0.000 0.359 220 F C 0.691 176.459 175.800 -0.053 0.000 1.122 220 F CA -0.137 57.865 58.000 0.003 0.000 1.160 220 F CB 0.910 39.888 39.000 -0.036 0.000 1.146 220 F HN 0.515 nan 8.300 nan 0.000 0.514 221 G N 5.006 113.641 108.800 -0.274 0.000 2.583 221 G HA2 -0.018 3.943 3.960 0.000 0.000 0.214 221 G HA3 -0.018 3.943 3.960 0.000 0.000 0.214 221 G C 1.112 175.683 174.900 -0.549 0.000 2.072 221 G CA 0.245 45.143 45.100 -0.337 0.000 0.745 221 G HN 0.588 nan 8.290 nan 0.000 0.762 222 I N 1.967 122.392 120.570 -0.242 0.000 2.181 222 I HA -0.245 3.926 4.170 0.000 0.000 0.247 222 I C 2.867 178.784 176.117 -0.334 0.000 1.081 222 I CA 2.096 63.267 61.300 -0.216 0.000 1.340 222 I CB -0.177 37.564 38.000 -0.431 0.000 1.036 222 I HN 0.248 nan 8.210 nan 0.000 0.417 223 A N -0.386 122.094 122.820 -0.565 0.000 2.125 223 A HA -0.229 4.091 4.320 0.000 0.000 0.219 223 A C 2.383 179.628 177.584 -0.564 0.000 1.156 223 A CA 1.718 53.437 52.037 -0.529 0.000 0.671 223 A CB -0.846 17.874 19.000 -0.467 0.000 0.794 223 A HN 0.655 nan 8.150 nan 0.000 0.459 224 M N -1.579 117.452 119.600 -0.949 0.000 2.229 224 M HA -0.122 4.358 4.480 0.000 0.000 0.264 224 M C 1.090 177.028 176.300 -0.603 0.000 1.063 224 M CA 1.649 56.547 55.300 -0.669 0.000 1.114 224 M CB -0.163 31.886 32.600 -0.918 0.000 1.387 224 M HN 0.443 nan 8.290 nan 0.000 0.420 225 Y N 0.130 120.238 120.300 -0.319 0.000 2.490 225 Y HA 0.347 4.897 4.550 0.000 0.000 0.281 225 Y C 1.597 177.451 175.900 -0.077 0.000 1.174 225 Y CA 0.424 58.365 58.100 -0.265 0.000 1.295 225 Y CB -0.379 37.797 38.460 -0.473 0.000 1.062 225 Y HN 0.492 nan 8.280 nan 0.000 0.522 226 G N 0.459 109.264 108.800 0.009 0.000 2.136 226 G HA2 -0.268 3.692 3.960 0.000 0.000 0.242 226 G HA3 -0.268 3.692 3.960 0.000 0.000 0.242 226 G C -0.270 174.646 174.900 0.027 0.000 0.989 226 G CA -0.135 44.992 45.100 0.044 0.000 0.682 226 G HN 0.269 nan 8.290 nan 0.000 0.522 227 L N 0.686 121.901 121.223 -0.014 0.000 2.307 227 L HA 0.750 5.090 4.340 0.000 0.000 0.284 227 L C 0.976 177.789 176.870 -0.095 0.000 1.023 227 L CA -0.613 54.201 54.840 -0.044 0.000 0.810 227 L CB 1.774 43.794 42.059 -0.064 0.000 1.231 227 L HN 0.298 nan 8.230 nan 0.000 0.423 228 A N 4.649 127.429 122.820 -0.067 0.000 2.462 228 A HA 0.323 4.643 4.320 0.000 0.000 0.243 228 A C -1.650 175.897 177.584 -0.063 0.000 1.076 228 A CA -0.958 51.037 52.037 -0.070 0.000 0.773 228 A CB 0.033 19.005 19.000 -0.047 0.000 1.010 228 A HN 0.632 nan 8.150 nan 0.000 0.493 229 P HA -0.084 nan 4.420 nan 0.000 0.217 229 P C 0.188 177.561 177.300 0.121 0.000 1.148 229 P CA 2.000 65.131 63.100 0.052 0.000 0.828 229 P CB 0.084 31.816 31.700 0.053 0.000 0.783 230 S N -5.608 110.121 115.700 0.048 0.000 2.552 230 S HA 0.383 4.853 4.470 0.000 0.000 0.272 230 S C -2.788 171.817 174.600 0.008 0.000 1.150 230 S CA -1.234 56.993 58.200 0.044 0.000 0.849 230 S CB 1.265 64.486 63.200 0.035 0.000 1.113 230 S HN -0.270 nan 8.310 nan 0.000 0.458 231 P HA 0.136 nan 4.420 nan 0.000 0.230 231 P C 1.559 178.854 177.300 -0.009 0.000 1.158 231 P CA 1.078 64.179 63.100 0.001 0.000 0.769 231 P CB -0.327 31.376 31.700 0.004 0.000 0.807 232 G N 0.646 109.439 108.800 -0.011 0.000 2.470 232 G HA2 -0.189 3.771 3.960 0.000 0.000 0.220 232 G HA3 -0.189 3.771 3.960 0.000 0.000 0.220 232 G C 1.211 176.091 174.900 -0.033 0.000 1.121 232 G CA 0.626 45.715 45.100 -0.019 0.000 0.766 232 G HN 0.456 nan 8.290 nan 0.000 0.553 233 I N -4.020 116.521 120.570 -0.048 0.000 4.154 233 I HA 0.371 4.541 4.170 0.000 0.000 0.334 233 I C 1.880 177.951 176.117 -0.076 0.000 1.371 233 I CA -0.287 60.968 61.300 -0.075 0.000 1.110 233 I CB 0.375 38.310 38.000 -0.109 0.000 1.085 233 I HN -0.172 nan 8.210 nan 0.000 0.398 234 K N 2.586 122.953 120.400 -0.055 0.000 2.059 234 K HA -0.105 4.215 4.320 0.000 0.000 0.212 234 K C -0.367 176.198 176.600 -0.058 0.000 1.050 234 K CA 2.094 58.349 56.287 -0.053 0.000 0.927 234 K CB -1.477 31.004 32.500 -0.031 0.000 0.714 234 K HN 0.423 nan 8.250 nan 0.000 0.447 235 P HA -0.082 nan 4.420 nan 0.000 0.225 235 P C 1.241 178.505 177.300 -0.061 0.000 1.156 235 P CA 1.002 64.075 63.100 -0.045 0.000 0.787 235 P CB -0.010 31.670 31.700 -0.033 0.000 0.802 236 L N -0.998 120.176 121.223 -0.081 0.000 2.552 236 L HA 0.087 4.427 4.340 0.000 0.000 0.227 236 L C 1.269 178.058 176.870 -0.135 0.000 1.146 236 L CA 0.211 54.986 54.840 -0.107 0.000 0.858 236 L CB -0.596 41.382 42.059 -0.134 0.000 0.969 236 L HN -0.016 nan 8.230 nan 0.000 0.451 237 L N 2.412 123.555 121.223 -0.134 0.000 2.360 237 L HA 0.087 4.427 4.340 0.000 0.000 0.276 237 L C -0.368 176.405 176.870 -0.162 0.000 1.121 237 L CA -1.093 53.637 54.840 -0.182 0.000 0.845 237 L CB 0.521 42.459 42.059 -0.202 0.000 1.143 237 L HN -0.073 nan 8.230 nan 0.000 0.452 238 P HA -0.159 nan 4.420 nan 0.000 0.216 238 P C -0.464 176.865 177.300 0.048 0.000 1.150 238 P CA 1.509 64.573 63.100 -0.061 0.000 0.837 238 P CB 0.063 31.758 31.700 -0.009 0.000 0.786 239 Y N -2.073 118.218 120.300 -0.015 0.000 2.545 239 Y HA 0.775 5.325 4.550 0.000 0.000 0.348 239 Y C -2.878 173.024 175.900 0.004 0.000 1.002 239 Y CA -3.775 54.322 58.100 -0.006 0.000 1.039 239 Y CB -0.389 38.067 38.460 -0.007 0.000 1.271 239 Y HN -0.281 nan 8.280 nan 0.000 0.467 240 P HA 0.231 nan 4.420 nan 0.000 0.271 240 P C -0.938 176.468 177.300 0.177 0.000 1.216 240 P CA -0.048 63.119 63.100 0.112 0.000 0.776 240 P CB 1.527 33.287 31.700 0.099 0.000 0.881 241 L N 2.750 124.020 121.223 0.079 0.000 2.307 241 L HA 0.385 4.725 4.340 0.000 0.000 0.282 241 L C 0.879 177.805 176.870 0.094 0.000 1.051 241 L CA -0.603 54.296 54.840 0.097 0.000 0.804 241 L CB 1.122 43.191 42.059 0.017 0.000 1.197 241 L HN 0.276 nan 8.230 nan 0.000 0.431 242 K N 2.718 123.186 120.400 0.113 0.000 2.334 242 K HA 0.201 4.521 4.320 0.000 0.000 0.265 242 K C -0.460 176.203 176.600 0.105 0.000 1.039 242 K CA -0.443 55.904 56.287 0.100 0.000 0.920 242 K CB 1.207 33.770 32.500 0.104 0.000 1.160 242 K HN 0.435 nan 8.250 nan 0.000 0.451 243 E N 2.124 122.387 120.200 0.104 0.000 2.415 243 E HA -0.016 4.334 4.350 0.000 0.000 0.263 243 E C 0.236 176.939 176.600 0.172 0.000 0.995 243 E CA 0.016 56.498 56.400 0.136 0.000 0.915 243 E CB 0.875 30.644 29.700 0.114 0.000 0.951 243 E HN 0.715 nan 8.360 nan 0.000 0.449 244 A N 5.273 128.252 122.820 0.265 0.000 2.063 244 A HA 0.107 4.427 4.320 0.000 0.000 0.211 244 A C 0.217 177.993 177.584 0.321 0.000 1.177 244 A CA -0.128 52.090 52.037 0.302 0.000 0.759 244 A CB 0.213 19.442 19.000 0.382 0.000 0.857 244 A HN 0.619 nan 8.150 nan 0.000 0.468 245 F N 1.643 121.688 119.950 0.159 0.000 2.394 245 F HA 0.520 5.047 4.527 0.000 0.000 0.340 245 F C 0.339 176.100 175.800 -0.064 0.000 1.105 245 F CA -0.008 57.983 58.000 -0.015 0.000 1.124 245 F CB 1.425 40.318 39.000 -0.178 0.000 1.145 245 F HN 0.105 nan 8.300 nan 0.000 0.505 246 S N 5.888 121.344 115.700 -0.408 0.000 2.541 246 S HA 0.748 5.218 4.470 0.000 0.000 0.271 246 S C -1.822 172.317 174.600 -0.767 0.000 1.133 246 S CA -0.891 57.063 58.200 -0.410 0.000 0.876 246 S CB 1.941 64.963 63.200 -0.297 0.000 1.105 246 S HN 0.736 nan 8.310 nan 0.000 0.470 247 L N 2.343 123.083 121.223 -0.804 0.000 2.385 247 L HA 0.713 5.054 4.340 0.000 0.000 0.273 247 L C -1.177 175.065 176.870 -1.046 0.000 0.990 247 L CA -0.029 54.351 54.840 -0.767 0.000 0.821 247 L CB 1.455 43.304 42.059 -0.349 0.000 1.279 247 L HN 0.991 nan 8.230 nan 0.000 0.412 248 H N 2.183 120.730 119.070 -0.871 0.000 2.985 248 H HA 0.728 5.284 4.556 0.000 0.000 0.360 248 H C -1.167 173.520 175.328 -1.068 0.000 1.221 248 H CA -0.772 54.666 56.048 -1.016 0.000 1.121 248 H CB 2.228 31.171 29.762 -1.364 0.000 1.854 248 H HN 0.614 nan 8.280 nan 0.000 0.551 249 S N -0.314 115.048 115.700 -0.564 0.000 2.819 249 S HA 0.650 5.120 4.470 0.000 0.000 0.299 249 S C -1.302 173.321 174.600 0.038 0.000 1.192 249 S CA -0.742 57.325 58.200 -0.222 0.000 0.847 249 S CB 2.024 65.101 63.200 -0.205 0.000 1.224 249 S HN 0.599 nan 8.310 nan 0.000 0.537 250 R N 0.613 121.186 120.500 0.122 0.000 2.668 250 R HA 0.467 4.807 4.340 0.000 0.000 0.272 250 R C -1.304 175.042 176.300 0.076 0.000 1.019 250 R CA -0.767 55.413 56.100 0.134 0.000 0.894 250 R CB 1.281 31.700 30.300 0.199 0.000 1.228 250 R HN 0.523 nan 8.270 nan 0.000 0.460 251 L N 2.765 124.024 121.223 0.060 0.000 2.462 251 L HA 0.044 4.384 4.340 0.000 0.000 0.272 251 L C 1.528 178.444 176.870 0.077 0.000 1.166 251 L CA -0.090 54.784 54.840 0.057 0.000 0.880 251 L CB 0.799 42.888 42.059 0.050 0.000 1.142 251 L HN 0.619 nan 8.230 nan 0.000 0.473 252 V N -0.601 119.367 119.914 0.090 0.000 3.621 252 V HA 0.215 4.335 4.120 0.000 0.000 0.263 252 V C 0.546 176.741 176.094 0.169 0.000 1.272 252 V CA 0.092 62.452 62.300 0.100 0.000 1.080 252 V CB -0.389 31.480 31.823 0.076 0.000 0.816 252 V HN 0.838 nan 8.190 nan 0.000 0.451 253 H N -0.776 118.316 119.070 0.037 0.000 2.974 253 H HA 0.739 5.295 4.556 0.000 0.000 0.366 253 H C -2.100 173.266 175.328 0.064 0.000 1.155 253 H CA -0.546 55.528 56.048 0.043 0.000 1.186 253 H CB 2.751 32.531 29.762 0.031 0.000 1.799 253 H HN 0.107 nan 8.280 nan 0.000 0.541 254 V N 4.712 124.548 119.914 -0.130 0.000 2.841 254 V HA 0.413 4.533 4.120 0.000 0.000 0.310 254 V C -0.983 174.990 176.094 -0.202 0.000 1.090 254 V CA -0.711 61.542 62.300 -0.078 0.000 0.930 254 V CB 2.051 33.946 31.823 0.119 0.000 1.014 254 V HN 0.810 nan 8.190 nan 0.000 0.425 255 K N 2.374 122.696 120.400 -0.129 0.000 2.610 255 K HA 0.588 4.908 4.320 0.000 0.000 0.278 255 K C -1.577 174.725 176.600 -0.497 0.000 0.964 255 K CA -1.105 55.028 56.287 -0.258 0.000 0.859 255 K CB 2.506 34.807 32.500 -0.332 0.000 1.434 255 K HN 0.495 nan 8.250 nan 0.000 0.410 256 K N 3.138 122.996 120.400 -0.904 0.000 2.159 256 K HA 0.424 4.744 4.320 0.000 0.000 0.266 256 K C -0.972 175.294 176.600 -0.556 0.000 0.975 256 K CA -0.746 54.828 56.287 -1.188 0.000 0.865 256 K CB 0.914 32.437 32.500 -1.627 0.000 1.087 256 K HN 0.625 nan 8.250 nan 0.000 0.446 257 L N 2.675 123.654 121.223 -0.407 0.000 2.332 257 L HA 0.392 4.732 4.340 0.000 0.000 0.269 257 L C 0.189 176.946 176.870 -0.187 0.000 1.016 257 L CA -1.211 53.496 54.840 -0.220 0.000 0.809 257 L CB 1.717 43.706 42.059 -0.116 0.000 1.280 257 L HN 0.623 nan 8.230 nan 0.000 0.447 258 Q N 1.538 121.263 119.800 -0.124 0.000 2.215 258 Q HA 0.393 4.733 4.340 0.000 0.000 0.256 258 Q C -2.357 173.601 176.000 -0.069 0.000 0.972 258 Q CA -1.878 53.871 55.803 -0.090 0.000 0.889 258 Q CB 1.772 30.465 28.738 -0.074 0.000 1.281 258 Q HN 0.286 nan 8.270 nan 0.000 0.456 259 P HA 0.031 nan 4.420 nan 0.000 0.265 259 P C 0.304 177.570 177.300 -0.056 0.000 1.222 259 P CA 0.770 63.837 63.100 -0.054 0.000 0.767 259 P CB 0.265 31.940 31.700 -0.042 0.000 0.801 260 G N 2.508 111.267 108.800 -0.069 0.000 2.229 260 G HA2 -0.146 3.814 3.960 0.000 0.000 0.189 260 G HA3 -0.146 3.814 3.960 0.000 0.000 0.189 260 G C -0.078 174.788 174.900 -0.057 0.000 1.000 260 G CA -0.486 44.576 45.100 -0.063 0.000 0.663 260 G HN 0.531 nan 8.290 nan 0.000 0.493 261 E N 1.286 121.453 120.200 -0.055 0.000 2.331 261 E HA 0.396 4.747 4.350 0.000 0.000 0.272 261 E C -0.005 176.580 176.600 -0.025 0.000 1.036 261 E CA -0.072 56.306 56.400 -0.038 0.000 0.864 261 E CB 0.967 30.645 29.700 -0.037 0.000 1.035 261 E HN 0.263 nan 8.360 nan 0.000 0.408 262 K N 1.342 121.738 120.400 -0.007 0.000 2.098 262 K HA 0.456 4.776 4.320 0.000 0.000 0.258 262 K C -0.661 175.973 176.600 0.058 0.000 0.973 262 K CA -0.663 55.637 56.287 0.022 0.000 0.898 262 K CB 1.625 34.130 32.500 0.008 0.000 1.057 262 K HN 0.189 nan 8.250 nan 0.000 0.447 263 V N 1.396 121.382 119.914 0.121 0.000 2.588 263 V HA 0.256 4.376 4.120 0.000 0.000 0.304 263 V C 0.233 176.369 176.094 0.071 0.000 1.042 263 V CA -0.597 61.766 62.300 0.105 0.000 0.877 263 V CB 1.388 33.313 31.823 0.170 0.000 0.996 263 V HN 1.063 nan 8.190 nan 0.000 0.425 264 S N 2.318 118.015 115.700 -0.005 0.000 3.460 264 S HA -0.209 4.262 4.470 0.000 0.000 0.637 264 S C -0.382 174.174 174.600 -0.073 0.000 2.505 264 S CA 0.157 58.322 58.200 -0.059 0.000 2.686 264 S CB -0.598 62.633 63.200 0.052 0.000 0.330 264 S HN 0.696 nan 8.310 nan 0.000 1.795 265 Y N 1.321 121.657 120.300 0.059 0.000 2.805 265 Y HA 0.259 4.810 4.550 0.000 0.000 0.337 265 Y C 1.896 177.828 175.900 0.053 0.000 1.252 265 Y CA 1.473 59.608 58.100 0.057 0.000 1.515 265 Y CB -0.238 38.262 38.460 0.066 0.000 1.305 265 Y HN 1.291 nan 8.280 nan 0.000 0.600 266 G N 1.838 110.762 108.800 0.208 0.000 2.186 266 G HA2 -0.210 3.750 3.960 0.000 0.000 0.266 266 G HA3 -0.210 3.750 3.960 0.000 0.000 0.266 266 G C 0.694 175.648 174.900 0.090 0.000 0.982 266 G CA 0.377 45.557 45.100 0.134 0.000 0.670 266 G HN 1.881 nan 8.290 nan 0.000 0.533 267 A N -1.689 121.175 122.820 0.073 0.000 2.311 267 A HA -0.119 4.201 4.320 0.000 0.000 0.284 267 A C 1.738 179.365 177.584 0.072 0.000 1.409 267 A CA 2.334 54.405 52.037 0.057 0.000 0.764 267 A CB -1.969 17.048 19.000 0.029 0.000 1.095 267 A HN 1.390 nan 8.150 nan 0.000 0.369 268 T N -1.027 113.589 114.554 0.103 0.000 2.674 268 T HA -0.028 4.322 4.350 0.000 0.000 0.265 268 T C 0.839 175.626 174.700 0.145 0.000 1.039 268 T CA 1.905 64.076 62.100 0.118 0.000 1.150 268 T CB -0.108 68.835 68.868 0.126 0.000 0.864 268 T HN 0.650 nan 8.240 nan 0.000 0.427 269 Y N 1.584 121.906 120.300 0.036 0.000 2.299 269 Y HA 0.420 4.970 4.550 0.000 0.000 0.326 269 Y C -0.414 175.496 175.900 0.018 0.000 1.164 269 Y CA -0.413 57.706 58.100 0.033 0.000 1.234 269 Y CB 1.028 39.508 38.460 0.033 0.000 1.219 269 Y HN -0.078 nan 8.280 nan 0.000 0.497 270 T N 5.142 119.313 114.554 -0.638 0.000 2.928 270 T HA 0.638 4.988 4.350 0.000 0.000 0.296 270 T C -0.864 173.350 174.700 -0.811 0.000 1.000 270 T CA -0.631 61.177 62.100 -0.486 0.000 0.989 270 T CB 1.040 69.751 68.868 -0.263 0.000 1.005 270 T HN 0.837 nan 8.240 nan 0.000 0.442 271 A N 2.427 124.988 122.820 -0.432 0.000 2.401 271 A HA 0.426 4.747 4.320 0.000 0.000 0.259 271 A C 0.851 178.332 177.584 -0.173 0.000 1.103 271 A CA -0.125 51.770 52.037 -0.236 0.000 0.789 271 A CB 0.441 19.428 19.000 -0.022 0.000 1.035 271 A HN 0.911 nan 8.150 nan 0.000 0.491 272 Q N 0.083 119.813 119.800 -0.116 0.000 2.402 272 Q HA 0.123 4.463 4.340 0.000 0.000 0.231 272 Q C 0.475 176.454 176.000 -0.036 0.000 0.888 272 Q CA 1.212 56.969 55.803 -0.076 0.000 0.938 272 Q CB 0.710 29.406 28.738 -0.071 0.000 1.086 272 Q HN 0.910 nan 8.270 nan 0.000 0.543 273 T N -1.461 113.086 114.554 -0.012 0.000 2.768 273 T HA 0.361 4.711 4.350 0.000 0.000 0.268 273 T C -0.525 174.172 174.700 -0.005 0.000 0.969 273 T CA -0.899 61.202 62.100 0.001 0.000 1.008 273 T CB 0.972 69.855 68.868 0.025 0.000 1.371 273 T HN -0.137 nan 8.240 nan 0.000 0.587 274 E N 1.852 122.054 120.200 0.003 0.000 2.129 274 E HA 0.230 4.580 4.350 0.000 0.000 0.283 274 E C -0.370 176.233 176.600 0.004 0.000 1.080 274 E CA -0.228 56.155 56.400 -0.028 0.000 0.867 274 E CB 0.322 30.017 29.700 -0.009 0.000 1.056 274 E HN 0.557 nan 8.360 nan 0.000 0.404 275 E N 2.906 123.066 120.200 -0.067 0.000 2.317 275 E HA 0.320 4.670 4.350 0.000 0.000 0.270 275 E C -1.189 175.308 176.600 -0.172 0.000 0.885 275 E CA -1.016 55.388 56.400 0.007 0.000 0.760 275 E CB 0.971 30.726 29.700 0.093 0.000 1.227 275 E HN 0.247 nan 8.360 nan 0.000 0.434 276 W N 2.335 123.642 121.300 0.010 0.000 2.331 276 W HA 0.361 5.022 4.660 0.000 0.000 0.306 276 W C -0.384 176.124 176.519 -0.018 0.000 1.162 276 W CA -0.491 56.847 57.345 -0.012 0.000 1.232 276 W CB 0.778 30.228 29.460 -0.017 0.000 1.235 276 W HN 0.329 nan 8.180 nan 0.000 0.479 277 I N 3.539 124.153 120.570 0.074 0.000 2.404 277 I HA 0.507 4.677 4.170 0.000 0.000 0.293 277 I C 0.632 176.758 176.117 0.016 0.000 0.992 277 I CA -0.571 60.743 61.300 0.022 0.000 1.149 277 I CB 1.058 39.039 38.000 -0.031 0.000 1.315 277 I HN 0.521 nan 8.210 nan 0.000 0.446 278 G N 3.968 112.780 108.800 0.019 0.000 2.448 278 G HA2 0.656 4.616 3.960 0.000 0.000 0.324 278 G HA3 0.656 4.616 3.960 0.000 0.000 0.324 278 G C -0.848 174.058 174.900 0.009 0.000 1.203 278 G CA -0.239 44.871 45.100 0.016 0.000 0.954 278 G HN 0.496 nan 8.290 nan 0.000 0.480 279 T N 1.391 115.965 114.554 0.033 0.000 2.829 279 T HA 0.592 4.942 4.350 0.000 0.000 0.280 279 T C 0.081 174.807 174.700 0.043 0.000 0.999 279 T CA -0.186 61.943 62.100 0.048 0.000 0.983 279 T CB 1.192 70.118 68.868 0.097 0.000 0.968 279 T HN 0.597 nan 8.240 nan 0.000 0.446 280 I N 0.737 121.317 120.570 0.016 0.000 2.646 280 I HA 0.590 4.760 4.170 0.000 0.000 0.299 280 I C -2.615 173.496 176.117 -0.009 0.000 1.036 280 I CA -3.256 58.040 61.300 -0.007 0.000 1.074 280 I CB 2.645 40.607 38.000 -0.063 0.000 1.258 280 I HN 0.273 nan 8.210 nan 0.000 0.430 281 P HA 0.386 nan 4.420 nan 0.000 0.214 281 P C -0.690 176.590 177.300 -0.034 0.000 1.826 281 P CA 0.215 63.316 63.100 0.002 0.000 0.977 281 P CB 0.313 32.035 31.700 0.036 0.000 1.930 282 I N 0.369 120.899 120.570 -0.068 0.000 2.680 282 I HA 0.684 4.854 4.170 0.000 0.000 0.291 282 I C -0.880 175.215 176.117 -0.037 0.000 1.244 282 I CA -0.548 60.692 61.300 -0.101 0.000 1.042 282 I CB 2.343 40.193 38.000 -0.249 0.000 1.277 282 I HN 0.209 nan 8.210 nan 0.000 0.423 283 G N 4.074 112.882 108.800 0.012 0.000 2.870 283 G HA2 0.232 4.193 3.960 0.000 0.000 0.299 283 G HA3 0.232 4.193 3.960 0.000 0.000 0.299 283 G C -0.303 174.681 174.900 0.139 0.000 1.324 283 G CA -0.155 44.984 45.100 0.065 0.000 0.808 283 G HN 0.694 nan 8.290 nan 0.000 0.535 284 Y N -1.174 119.206 120.300 0.132 0.000 2.384 284 Y HA 0.191 4.741 4.550 0.000 0.000 0.289 284 Y C 2.417 178.357 175.900 0.067 0.000 1.152 284 Y CA 1.376 59.530 58.100 0.090 0.000 1.258 284 Y CB -0.752 37.729 38.460 0.035 0.000 0.979 284 Y HN 0.357 nan 8.280 nan 0.000 0.549 285 A N 0.275 123.149 122.820 0.090 0.000 2.209 285 A HA -0.057 4.263 4.320 0.000 0.000 0.212 285 A C 1.412 179.028 177.584 0.054 0.000 1.158 285 A CA 1.145 53.247 52.037 0.110 0.000 0.742 285 A CB -0.507 18.503 19.000 0.018 0.000 0.790 285 A HN 0.539 nan 8.150 nan 0.000 0.472 286 D N -1.197 119.236 120.400 0.055 0.000 2.349 286 D HA 0.234 4.874 4.640 0.000 0.000 0.214 286 D C 1.289 177.648 176.300 0.098 0.000 1.063 286 D CA 0.974 54.989 54.000 0.025 0.000 0.847 286 D CB 0.432 41.236 40.800 0.005 0.000 0.933 286 D HN 0.540 nan 8.370 nan 0.000 0.513 287 G N 1.018 109.908 108.800 0.150 0.000 2.157 287 G HA2 -0.240 3.720 3.960 0.000 0.000 0.239 287 G HA3 -0.240 3.720 3.960 0.000 0.000 0.239 287 G C -0.020 175.006 174.900 0.209 0.000 0.982 287 G CA -0.225 44.960 45.100 0.142 0.000 0.650 287 G HN 0.388 nan 8.290 nan 0.000 0.527 288 W N 3.333 124.649 121.300 0.027 0.000 1.978 288 W HA 0.585 5.245 4.660 0.000 0.000 0.373 288 W C 0.307 176.866 176.519 0.067 0.000 0.813 288 W CA -0.868 56.490 57.345 0.022 0.000 1.571 288 W CB -0.335 29.132 29.460 0.011 0.000 1.746 288 W HN 0.081 nan 8.180 nan 0.000 0.302 289 L N 4.312 125.474 121.223 -0.102 0.000 2.483 289 L HA 0.027 4.367 4.340 0.000 0.000 0.275 289 L C 1.941 178.731 176.870 -0.133 0.000 1.220 289 L CA 0.147 54.937 54.840 -0.083 0.000 0.833 289 L CB 0.352 42.329 42.059 -0.135 0.000 1.102 289 L HN 0.360 nan 8.230 nan 0.000 0.490 290 R N 0.949 121.409 120.500 -0.067 0.000 2.139 290 R HA -0.198 4.142 4.340 0.000 0.000 0.243 290 R C 2.121 178.360 176.300 -0.101 0.000 1.145 290 R CA 1.434 57.497 56.100 -0.062 0.000 0.976 290 R CB -0.308 29.921 30.300 -0.119 0.000 0.866 290 R HN 0.509 nan 8.270 nan 0.000 0.449 291 R N 1.053 121.475 120.500 -0.130 0.000 2.237 291 R HA -0.064 4.276 4.340 0.000 0.000 0.219 291 R C 1.234 177.464 176.300 -0.116 0.000 1.080 291 R CA 0.780 56.817 56.100 -0.105 0.000 0.995 291 R CB -0.014 30.220 30.300 -0.111 0.000 0.875 291 R HN 0.225 nan 8.270 nan 0.000 0.462 292 L N 1.556 122.646 121.223 -0.221 0.000 2.645 292 L HA -0.002 4.338 4.340 0.000 0.000 0.234 292 L C 1.950 178.776 176.870 -0.074 0.000 1.165 292 L CA 0.065 54.748 54.840 -0.262 0.000 0.944 292 L CB 0.052 41.709 42.059 -0.671 0.000 1.149 292 L HN 0.288 nan 8.230 nan 0.000 0.446 293 Q N -1.365 118.386 119.800 -0.081 0.000 2.364 293 Q HA -0.187 4.153 4.340 0.000 0.000 0.207 293 Q C 0.788 176.716 176.000 -0.120 0.000 0.970 293 Q CA 1.478 57.216 55.803 -0.109 0.000 0.888 293 Q CB -0.267 28.346 28.738 -0.209 0.000 0.951 293 Q HN 0.552 nan 8.270 nan 0.000 0.469 294 H N -1.165 117.974 119.070 0.115 0.000 2.528 294 H HA 0.252 4.808 4.556 0.000 0.000 0.282 294 H C -0.677 174.755 175.328 0.173 0.000 1.097 294 H CA -0.810 55.322 56.048 0.139 0.000 1.121 294 H CB 0.403 30.257 29.762 0.153 0.000 1.590 294 H HN 0.166 nan 8.280 nan 0.000 0.553 295 F N 1.829 121.778 119.950 -0.002 0.000 2.363 295 F HA 0.275 4.802 4.527 0.000 0.000 0.332 295 F C 0.425 176.280 175.800 0.092 0.000 1.039 295 F CA -0.787 57.127 58.000 -0.144 0.000 1.127 295 F CB 0.793 39.584 39.000 -0.348 0.000 1.701 295 F HN 0.130 nan 8.300 nan 0.000 0.532 296 H N -0.617 118.020 119.070 -0.722 0.000 2.990 296 H HA 0.632 5.188 4.556 0.000 0.000 0.343 296 H C -1.556 173.542 175.328 -0.383 0.000 1.270 296 H CA -0.863 54.943 56.048 -0.405 0.000 1.118 296 H CB 0.505 30.049 29.762 -0.363 0.000 1.861 296 H HN 0.589 nan 8.280 nan 0.000 0.544 297 V N -1.026 118.760 119.914 -0.213 0.000 3.155 297 V HA 0.657 4.777 4.120 0.000 0.000 0.313 297 V C -0.621 175.414 176.094 -0.099 0.000 1.162 297 V CA -1.254 60.932 62.300 -0.190 0.000 1.048 297 V CB 2.002 33.753 31.823 -0.119 0.000 1.092 297 V HN 0.642 nan 8.190 nan 0.000 0.447 298 L N 1.665 122.836 121.223 -0.087 0.000 2.309 298 L HA 0.776 5.116 4.340 0.000 0.000 0.282 298 L C -0.639 176.213 176.870 -0.030 0.000 1.036 298 L CA -0.787 54.033 54.840 -0.033 0.000 0.806 298 L CB 1.691 43.736 42.059 -0.024 0.000 1.220 298 L HN 0.565 nan 8.230 nan 0.000 0.429 299 V N 2.583 122.488 119.914 -0.015 0.000 2.569 299 V HA 0.254 4.374 4.120 0.000 0.000 0.301 299 V C -0.630 175.459 176.094 -0.009 0.000 1.044 299 V CA -0.223 62.069 62.300 -0.012 0.000 0.874 299 V CB 1.701 33.517 31.823 -0.011 0.000 1.002 299 V HN 0.919 nan 8.190 nan 0.000 0.424 300 D N 5.221 125.617 120.400 -0.007 0.000 2.803 300 D HA -0.136 4.504 4.640 0.000 0.000 0.233 300 D C 1.164 177.459 176.300 -0.008 0.000 1.182 300 D CA 1.983 55.978 54.000 -0.009 0.000 0.726 300 D CB -0.967 39.823 40.800 -0.017 0.000 0.987 300 D HN 1.775 nan 8.370 nan 0.000 0.412 301 G N 0.611 109.410 108.800 -0.002 0.000 2.200 301 G HA2 -0.354 3.607 3.960 0.000 0.000 0.267 301 G HA3 -0.354 3.607 3.960 0.000 0.000 0.267 301 G C 0.256 175.156 174.900 0.000 0.000 0.993 301 G CA 1.081 46.181 45.100 -0.000 0.000 0.701 301 G HN 0.672 nan 8.290 nan 0.000 0.524 302 Q N -0.777 119.022 119.800 -0.001 0.000 2.423 302 Q HA 0.515 4.856 4.340 0.000 0.000 0.278 302 Q C -0.281 175.723 176.000 0.007 0.000 1.097 302 Q CA -1.043 54.759 55.803 -0.001 0.000 0.809 302 Q CB 1.744 30.477 28.738 -0.008 0.000 1.391 302 Q HN 0.256 nan 8.270 nan 0.000 0.428 303 K N 0.804 121.207 120.400 0.005 0.000 2.298 303 K HA 0.600 4.920 4.320 0.000 0.000 0.280 303 K C -0.862 175.740 176.600 0.003 0.000 1.032 303 K CA -0.235 56.067 56.287 0.026 0.000 0.958 303 K CB 0.927 33.388 32.500 -0.066 0.000 0.978 303 K HN 0.588 nan 8.250 nan 0.000 0.472 304 A N 4.638 127.477 122.820 0.031 0.000 2.375 304 A HA 0.449 4.769 4.320 0.000 0.000 0.295 304 A C -2.574 175.029 177.584 0.032 0.000 1.066 304 A CA -1.620 50.427 52.037 0.016 0.000 0.722 304 A CB 1.211 20.216 19.000 0.008 0.000 1.206 304 A HN 0.436 nan 8.150 nan 0.000 0.435 305 P HA 0.342 nan 4.420 nan 0.000 0.274 305 P C -0.437 176.862 177.300 -0.001 0.000 1.231 305 P CA -0.077 63.039 63.100 0.027 0.000 0.790 305 P CB 0.858 32.570 31.700 0.020 0.000 0.951 306 I N 1.361 121.948 120.570 0.028 0.000 2.441 306 I HA 0.166 4.336 4.170 0.000 0.000 0.287 306 I C 0.452 176.528 176.117 -0.069 0.000 1.049 306 I CA -0.483 60.828 61.300 0.019 0.000 1.381 306 I CB 1.155 39.222 38.000 0.112 0.000 1.409 306 I HN 0.030 nan 8.210 nan 0.000 0.523 307 V N 6.165 125.980 119.914 -0.165 0.000 2.448 307 V HA 0.772 4.893 4.120 0.000 0.000 0.295 307 V C 0.465 176.421 176.094 -0.230 0.000 1.025 307 V CA 0.356 62.416 62.300 -0.401 0.000 0.859 307 V CB 1.121 32.550 31.823 -0.657 0.000 0.988 307 V HN 1.103 nan 8.190 nan 0.000 0.431 308 G N 6.208 114.937 108.800 -0.118 0.000 2.693 308 G HA2 -0.184 3.777 3.960 0.000 0.000 0.226 308 G HA3 -0.184 3.777 3.960 0.000 0.000 0.226 308 G C -0.300 174.617 174.900 0.028 0.000 1.354 308 G CA -0.403 44.718 45.100 0.035 0.000 0.873 308 G HN 0.772 nan 8.290 nan 0.000 0.562 309 R N -0.907 119.645 120.500 0.086 0.000 2.615 309 R HA 0.508 4.848 4.340 0.000 0.000 0.270 309 R C 0.648 177.042 176.300 0.157 0.000 1.081 309 R CA -0.437 55.728 56.100 0.109 0.000 1.154 309 R CB 0.523 30.925 30.300 0.170 0.000 1.063 309 R HN 0.447 nan 8.270 nan 0.000 0.519 310 I N 1.558 122.228 120.570 0.166 0.000 2.428 310 I HA 0.103 4.274 4.170 0.000 0.000 0.289 310 I C 0.329 176.625 176.117 0.300 0.000 1.019 310 I CA -0.434 61.001 61.300 0.224 0.000 1.351 310 I CB 1.087 39.228 38.000 0.236 0.000 1.412 310 I HN 0.554 nan 8.210 nan 0.000 0.513 311 C N 4.888 124.318 119.300 0.216 0.000 2.352 311 C HA 0.223 4.683 4.460 0.000 0.000 0.387 311 C C 1.919 176.695 174.990 -0.358 0.000 1.294 311 C CA -0.498 58.589 59.018 0.115 0.000 2.137 311 C CB 1.379 29.247 27.740 0.213 0.000 2.146 311 C HN 0.891 nan 8.230 nan 0.000 0.559 312 M N 0.930 120.136 119.600 -0.656 0.000 2.175 312 M HA -0.111 4.369 4.480 0.000 0.000 0.264 312 M C 0.738 176.760 176.300 -0.463 0.000 1.063 312 M CA 1.966 56.619 55.300 -1.079 0.000 1.119 312 M CB -0.086 32.137 32.600 -0.629 0.000 1.377 312 M HN 0.711 nan 8.290 nan 0.000 0.415 313 D N -0.743 119.527 120.400 -0.216 0.000 2.500 313 D HA 0.097 4.737 4.640 0.000 0.000 0.217 313 D C -0.111 176.162 176.300 -0.044 0.000 1.159 313 D CA 0.101 54.042 54.000 -0.100 0.000 0.828 313 D CB 0.504 41.270 40.800 -0.058 0.000 1.039 313 D HN 0.526 nan 8.370 nan 0.000 0.512 314 Q N 0.516 120.302 119.800 -0.022 0.000 2.482 314 Q HA 0.570 4.910 4.340 0.000 0.000 0.286 314 Q C -0.911 175.119 176.000 0.051 0.000 1.007 314 Q CA -0.944 54.867 55.803 0.014 0.000 0.801 314 Q CB 2.288 31.041 28.738 0.025 0.000 1.455 314 Q HN 0.162 nan 8.270 nan 0.000 0.398 315 C N -0.721 118.608 119.300 0.049 0.000 3.171 315 C HA 0.901 5.361 4.460 0.000 0.000 0.308 315 C C -0.837 174.177 174.990 0.040 0.000 1.334 315 C CA -0.836 58.227 59.018 0.075 0.000 1.473 315 C CB 1.054 28.877 27.740 0.138 0.000 1.866 315 C HN 0.898 nan 8.230 nan 0.000 0.465 316 M N 2.256 121.873 119.600 0.029 0.000 2.537 316 M HA 0.811 5.291 4.480 0.000 0.000 0.324 316 M C -0.224 176.058 176.300 -0.030 0.000 1.187 316 M CA -1.138 54.159 55.300 -0.006 0.000 0.993 316 M CB 1.272 33.857 32.600 -0.025 0.000 1.666 316 M HN 0.832 nan 8.290 nan 0.000 0.461 317 I N -1.753 118.793 120.570 -0.039 0.000 2.722 317 I HA 0.614 4.785 4.170 0.000 0.000 0.295 317 I C -0.562 175.527 176.117 -0.047 0.000 1.161 317 I CA -1.055 60.218 61.300 -0.047 0.000 1.032 317 I CB 2.065 40.054 38.000 -0.017 0.000 1.244 317 I HN 0.537 nan 8.210 nan 0.000 0.421 318 R N 4.903 125.364 120.500 -0.064 0.000 2.316 318 R HA 0.496 4.837 4.340 0.000 0.000 0.314 318 R C -1.050 175.272 176.300 0.036 0.000 1.069 318 R CA -0.358 55.737 56.100 -0.008 0.000 0.959 318 R CB 0.589 30.888 30.300 -0.001 0.000 0.987 318 R HN 0.697 nan 8.270 nan 0.000 0.446 319 L N 6.714 127.986 121.223 0.082 0.000 2.399 319 L HA 0.324 4.665 4.340 0.000 0.000 0.265 319 L C -0.965 175.953 176.870 0.081 0.000 1.089 319 L CA -1.965 52.922 54.840 0.078 0.000 0.802 319 L CB 1.335 43.458 42.059 0.106 0.000 1.180 319 L HN 0.526 nan 8.230 nan 0.000 0.454 320 P HA -0.021 nan 4.420 nan 0.000 0.220 320 P C 0.445 177.742 177.300 -0.005 0.000 1.148 320 P CA 0.837 63.945 63.100 0.014 0.000 0.803 320 P CB 0.529 32.220 31.700 -0.014 0.000 0.782 321 G N -0.677 108.074 108.800 -0.083 0.000 2.341 321 G HA2 0.277 4.237 3.960 0.000 0.000 0.299 321 G HA3 0.277 4.237 3.960 0.000 0.000 0.299 321 G C -3.247 171.276 174.900 -0.628 0.000 1.274 321 G CA -0.774 44.132 45.100 -0.323 0.000 0.853 321 G HN -0.250 nan 8.290 nan 0.000 0.493 322 P HA 0.272 nan 4.420 nan 0.000 0.263 322 P C -0.407 176.612 177.300 -0.469 0.000 1.247 322 P CA 0.280 62.690 63.100 -1.150 0.000 0.876 322 P CB 0.458 31.264 31.700 -1.490 0.000 0.928 323 L N 6.562 127.631 121.223 -0.257 0.000 2.344 323 L HA 0.492 4.832 4.340 0.000 0.000 0.272 323 L C -1.600 175.227 176.870 -0.071 0.000 1.035 323 L CA -2.417 52.346 54.840 -0.128 0.000 0.807 323 L CB 1.499 43.517 42.059 -0.068 0.000 1.237 323 L HN 0.217 nan 8.230 nan 0.000 0.442 324 P HA 0.087 nan 4.420 nan 0.000 0.274 324 P C -0.635 176.676 177.300 0.018 0.000 1.231 324 P CA -0.327 62.766 63.100 -0.012 0.000 0.790 324 P CB 1.081 32.773 31.700 -0.014 0.000 0.951 325 V N 1.580 121.517 119.914 0.039 0.000 2.637 325 V HA 0.358 4.479 4.120 0.000 0.000 0.296 325 V C 1.615 177.734 176.094 0.041 0.000 1.046 325 V CA 1.762 64.096 62.300 0.057 0.000 1.066 325 V CB -0.021 31.851 31.823 0.081 0.000 0.968 325 V HN 1.088 nan 8.190 nan 0.000 0.483 326 G N 3.471 112.300 108.800 0.048 0.000 2.179 326 G HA2 -0.208 3.752 3.960 0.000 0.000 0.220 326 G HA3 -0.208 3.752 3.960 0.000 0.000 0.220 326 G C 0.296 175.225 174.900 0.048 0.000 0.990 326 G CA -0.011 45.116 45.100 0.044 0.000 0.646 326 G HN 0.737 nan 8.290 nan 0.000 0.517 327 T N 1.900 116.478 114.554 0.040 0.000 2.853 327 T HA 0.361 4.712 4.350 0.000 0.000 0.298 327 T C 0.575 175.307 174.700 0.052 0.000 0.978 327 T CA 0.358 62.478 62.100 0.034 0.000 1.152 327 T CB 1.451 70.328 68.868 0.014 0.000 0.914 327 T HN 0.442 nan 8.240 nan 0.000 0.539 328 K N 2.833 123.272 120.400 0.065 0.000 2.448 328 K HA 0.253 4.573 4.320 0.000 0.000 0.278 328 K C -0.817 175.801 176.600 0.030 0.000 1.009 328 K CA -0.242 56.096 56.287 0.086 0.000 0.995 328 K CB 0.348 32.908 32.500 0.100 0.000 0.917 328 K HN 0.318 nan 8.250 nan 0.000 0.481 329 V N 3.376 123.288 119.914 -0.002 0.000 2.555 329 V HA 0.249 4.369 4.120 0.000 0.000 0.302 329 V C -0.368 175.670 176.094 -0.094 0.000 1.038 329 V CA -0.700 61.566 62.300 -0.055 0.000 0.887 329 V CB 2.069 33.842 31.823 -0.083 0.000 0.991 329 V HN 0.828 nan 8.190 nan 0.000 0.434 330 T N 5.542 120.044 114.554 -0.087 0.000 2.786 330 T HA 0.431 4.781 4.350 0.000 0.000 0.283 330 T C 0.683 175.250 174.700 -0.222 0.000 0.992 330 T CA -0.402 61.624 62.100 -0.123 0.000 0.954 330 T CB 1.200 70.068 68.868 0.001 0.000 0.934 330 T HN 0.343 nan 8.240 nan 0.000 0.440 331 L N 2.939 123.950 121.223 -0.352 0.000 2.253 331 L HA 0.450 4.791 4.340 0.000 0.000 0.205 331 L C 0.471 177.287 176.870 -0.089 0.000 1.078 331 L CA 1.088 55.725 54.840 -0.338 0.000 0.805 331 L CB -0.132 41.469 42.059 -0.763 0.000 0.963 331 L HN 0.574 nan 8.230 nan 0.000 0.459 332 I N -0.556 119.909 120.570 -0.175 0.000 2.534 332 I HA 0.577 4.747 4.170 0.000 0.000 0.286 332 I C 0.074 176.080 176.117 -0.184 0.000 1.094 332 I CA -0.347 60.920 61.300 -0.054 0.000 1.055 332 I CB 1.835 39.866 38.000 0.051 0.000 1.225 332 I HN 0.155 nan 8.210 nan 0.000 0.435 333 G N 5.020 113.770 108.800 -0.084 0.000 2.340 333 G HA2 0.107 4.067 3.960 0.000 0.000 0.282 333 G HA3 0.107 4.067 3.960 0.000 0.000 0.282 333 G C -1.889 173.006 174.900 -0.009 0.000 1.312 333 G CA -0.993 44.066 45.100 -0.069 0.000 0.942 333 G HN 0.581 nan 8.290 nan 0.000 0.495 334 R N -0.036 120.477 120.500 0.021 0.000 2.532 334 R HA 0.701 5.041 4.340 0.000 0.000 0.295 334 R C -0.899 175.420 176.300 0.032 0.000 0.968 334 R CA -0.529 55.587 56.100 0.025 0.000 0.916 334 R CB 1.379 31.693 30.300 0.024 0.000 1.124 334 R HN 0.533 nan 8.270 nan 0.000 0.463 335 Q N 2.299 122.112 119.800 0.022 0.000 2.444 335 Q HA 0.278 4.618 4.340 0.000 0.000 0.251 335 Q C -0.200 175.808 176.000 0.013 0.000 0.939 335 Q CA 0.250 56.064 55.803 0.018 0.000 0.740 335 Q CB 1.872 30.619 28.738 0.014 0.000 1.308 335 Q HN 1.027 nan 8.270 nan 0.000 0.461 336 G N 3.124 111.930 108.800 0.010 0.000 2.557 336 G HA2 -0.349 3.611 3.960 0.000 0.000 0.292 336 G HA3 -0.349 3.611 3.960 0.000 0.000 0.292 336 G C 0.326 175.232 174.900 0.010 0.000 1.162 336 G CA 0.515 45.620 45.100 0.008 0.000 0.964 336 G HN 0.643 nan 8.290 nan 0.000 0.541 337 D N 1.878 122.284 120.400 0.010 0.000 2.327 337 D HA 0.164 4.805 4.640 0.000 0.000 0.205 337 D C 0.960 177.271 176.300 0.018 0.000 0.989 337 D CA 0.573 54.581 54.000 0.012 0.000 0.873 337 D CB 0.147 40.952 40.800 0.009 0.000 0.955 337 D HN 0.499 nan 8.370 nan 0.000 0.515 338 E N 0.733 120.944 120.200 0.019 0.000 2.319 338 E HA 0.355 4.705 4.350 0.000 0.000 0.268 338 E C -0.396 176.223 176.600 0.032 0.000 1.050 338 E CA -0.400 56.016 56.400 0.027 0.000 0.878 338 E CB 2.881 32.598 29.700 0.027 0.000 1.066 338 E HN -0.188 nan 8.360 nan 0.000 0.406 339 V N 3.169 123.110 119.914 0.044 0.000 2.932 339 V HA 0.459 4.579 4.120 0.000 0.000 0.307 339 V C -1.447 174.686 176.094 0.065 0.000 1.147 339 V CA -0.620 61.707 62.300 0.045 0.000 0.951 339 V CB 1.875 33.724 31.823 0.044 0.000 1.031 339 V HN 0.537 nan 8.190 nan 0.000 0.426 340 I N 5.603 126.206 120.570 0.056 0.000 2.447 340 I HA 0.558 4.728 4.170 0.000 0.000 0.287 340 I C 0.093 176.272 176.117 0.103 0.000 1.023 340 I CA -0.312 61.044 61.300 0.094 0.000 1.083 340 I CB 2.262 40.295 38.000 0.055 0.000 1.245 340 I HN 0.775 nan 8.210 nan 0.000 0.434 341 S N 5.170 120.946 115.700 0.127 0.000 2.718 341 S HA 0.561 5.031 4.470 0.000 0.000 0.300 341 S C 0.948 175.611 174.600 0.106 0.000 1.117 341 S CA -0.806 57.456 58.200 0.102 0.000 1.002 341 S CB 1.954 65.205 63.200 0.085 0.000 1.092 341 S HN 0.562 nan 8.310 nan 0.000 0.542 342 I N 0.791 121.409 120.570 0.079 0.000 2.361 342 I HA -0.178 3.992 4.170 0.000 0.000 0.251 342 I C 1.687 177.818 176.117 0.023 0.000 1.133 342 I CA 1.278 62.605 61.300 0.045 0.000 1.413 342 I CB -0.334 37.678 38.000 0.020 0.000 1.073 342 I HN 0.657 nan 8.210 nan 0.000 0.424 343 D N 0.812 121.234 120.400 0.037 0.000 2.144 343 D HA -0.180 4.460 4.640 0.000 0.000 0.199 343 D C 1.730 178.054 176.300 0.040 0.000 0.984 343 D CA 1.228 55.246 54.000 0.030 0.000 0.834 343 D CB -0.294 40.528 40.800 0.035 0.000 0.955 343 D HN 0.340 nan 8.370 nan 0.000 0.465 344 D N 0.176 120.631 120.400 0.092 0.000 2.117 344 D HA -0.095 4.545 4.640 0.000 0.000 0.197 344 D C 2.334 178.651 176.300 0.027 0.000 0.987 344 D CA 0.463 54.563 54.000 0.167 0.000 0.829 344 D CB -0.192 40.798 40.800 0.318 0.000 0.961 344 D HN 0.092 nan 8.370 nan 0.000 0.460 345 V N 1.609 121.480 119.914 -0.073 0.000 2.358 345 V HA -0.206 3.914 4.120 0.000 0.000 0.246 345 V C 2.588 178.512 176.094 -0.283 0.000 1.047 345 V CA 1.665 63.742 62.300 -0.372 0.000 1.035 345 V CB -0.845 30.848 31.823 -0.217 0.000 0.658 345 V HN 0.158 nan 8.190 nan 0.000 0.452 346 A N 0.275 123.012 122.820 -0.139 0.000 1.883 346 A HA -0.286 4.034 4.320 0.000 0.000 0.217 346 A C 2.450 179.969 177.584 -0.107 0.000 1.186 346 A CA 2.191 54.164 52.037 -0.106 0.000 0.624 346 A CB -0.645 18.326 19.000 -0.048 0.000 0.822 346 A HN 0.456 nan 8.150 nan 0.000 0.444 347 R N -1.365 119.087 120.500 -0.082 0.000 2.105 347 R HA -0.212 4.128 4.340 0.000 0.000 0.239 347 R C 1.957 178.150 176.300 -0.179 0.000 1.135 347 R CA 2.102 58.144 56.100 -0.096 0.000 0.967 347 R CB -0.446 29.823 30.300 -0.053 0.000 0.861 347 R HN 0.708 nan 8.270 nan 0.000 0.442 348 H N -0.367 118.568 119.070 -0.225 0.000 2.462 348 H HA 0.058 4.614 4.556 0.000 0.000 0.292 348 H C 1.687 176.867 175.328 -0.247 0.000 1.049 348 H CA 1.234 57.127 56.048 -0.258 0.000 1.334 348 H CB 0.222 29.663 29.762 -0.536 0.000 1.404 348 H HN 0.132 nan 8.280 nan 0.000 0.544 349 L N -0.032 121.086 121.223 -0.175 0.000 2.509 349 L HA 0.016 4.356 4.340 0.000 0.000 0.222 349 L C 0.139 176.932 176.870 -0.128 0.000 1.123 349 L CA 0.384 55.120 54.840 -0.173 0.000 0.856 349 L CB 0.170 42.104 42.059 -0.208 0.000 0.985 349 L HN 0.309 nan 8.230 nan 0.000 0.456 350 E N 0.753 120.880 120.200 -0.122 0.000 2.320 350 E HA -0.176 4.174 4.350 0.000 0.000 0.234 350 E C -0.180 176.371 176.600 -0.081 0.000 1.183 350 E CA 0.524 56.866 56.400 -0.097 0.000 0.713 350 E CB -1.704 27.943 29.700 -0.088 0.000 1.226 350 E HN 0.550 nan 8.360 nan 0.000 0.382 351 T N -1.832 112.674 114.554 -0.079 0.000 2.693 351 T HA 0.761 5.111 4.350 0.000 0.000 0.278 351 T C 0.688 175.368 174.700 -0.032 0.000 0.994 351 T CA -0.921 61.143 62.100 -0.060 0.000 1.033 351 T CB 1.377 70.207 68.868 -0.065 0.000 1.342 351 T HN 0.289 nan 8.240 nan 0.000 0.538 352 I N -0.060 120.508 120.570 -0.004 0.000 2.797 352 I HA 0.466 4.636 4.170 0.000 0.000 0.310 352 I C 1.068 177.241 176.117 0.093 0.000 0.990 352 I CA -1.156 60.185 61.300 0.068 0.000 1.228 352 I CB 0.834 38.898 38.000 0.107 0.000 1.406 352 I HN 0.677 nan 8.210 nan 0.000 0.534 353 N N 2.294 121.060 118.700 0.110 0.000 2.223 353 N HA -0.259 4.481 4.740 0.000 0.000 0.185 353 N C 1.321 176.854 175.510 0.038 0.000 1.016 353 N CA 1.548 54.618 53.050 0.034 0.000 0.863 353 N CB -0.972 37.506 38.487 -0.015 0.000 0.983 353 N HN 0.777 nan 8.380 nan 0.000 0.429 354 Y N 0.816 121.092 120.300 -0.041 0.000 2.151 354 Y HA -0.155 4.395 4.550 0.000 0.000 0.284 354 Y C 2.519 178.333 175.900 -0.143 0.000 1.166 354 Y CA 1.549 59.602 58.100 -0.079 0.000 1.163 354 Y CB -0.508 37.884 38.460 -0.113 0.000 0.974 354 Y HN 0.282 nan 8.280 nan 0.000 0.511 355 E N -0.172 120.069 120.200 0.067 0.000 2.347 355 E HA -0.097 4.253 4.350 0.000 0.000 0.196 355 E C 1.939 178.493 176.600 -0.077 0.000 1.008 355 E CA 0.599 56.978 56.400 -0.034 0.000 0.852 355 E CB 0.061 29.733 29.700 -0.047 0.000 0.783 355 E HN 0.281 nan 8.360 nan 0.000 0.505 356 V N 1.933 121.793 119.914 -0.090 0.000 2.255 356 V HA -0.132 3.988 4.120 0.000 0.000 0.243 356 V C -0.790 175.171 176.094 -0.222 0.000 1.038 356 V CA 1.877 64.099 62.300 -0.131 0.000 1.008 356 V CB -1.381 30.373 31.823 -0.115 0.000 0.645 356 V HN 0.322 nan 8.190 nan 0.000 0.449 357 P HA -0.122 nan 4.420 nan 0.000 0.218 357 P C 1.766 178.848 177.300 -0.363 0.000 1.149 357 P CA 1.430 64.120 63.100 -0.684 0.000 0.817 357 P CB -0.290 30.811 31.700 -0.998 0.000 0.785 358 C N -0.381 118.796 119.300 -0.205 0.000 2.410 358 C HA -0.067 4.393 4.460 0.000 0.000 0.281 358 C C 2.607 177.560 174.990 -0.061 0.000 1.318 358 C CA 1.726 60.678 59.018 -0.109 0.000 1.776 358 C CB -2.018 25.661 27.740 -0.101 0.000 1.942 358 C HN 0.324 nan 8.230 nan 0.000 0.508 359 T N 0.389 114.902 114.554 -0.069 0.000 3.081 359 T HA 0.168 4.518 4.350 0.000 0.000 0.255 359 T C 0.586 175.293 174.700 0.012 0.000 1.113 359 T CA 0.323 62.411 62.100 -0.019 0.000 1.082 359 T CB -0.090 68.760 68.868 -0.030 0.000 0.939 359 T HN 0.194 nan 8.240 nan 0.000 0.506 360 I N 4.187 124.751 120.570 -0.010 0.000 2.505 360 I HA 0.124 4.294 4.170 0.000 0.000 0.287 360 I C 1.217 177.358 176.117 0.041 0.000 1.104 360 I CA -0.321 61.007 61.300 0.046 0.000 1.387 360 I CB -0.531 37.528 38.000 0.097 0.000 1.404 360 I HN 0.231 nan 8.210 nan 0.000 0.528 361 S N 7.085 122.800 115.700 0.024 0.000 2.641 361 S HA 0.117 4.587 4.470 0.000 0.000 0.261 361 S C 1.362 175.922 174.600 -0.067 0.000 1.257 361 S CA -0.332 57.877 58.200 0.015 0.000 0.983 361 S CB 0.421 63.616 63.200 -0.008 0.000 0.990 361 S HN 0.561 nan 8.310 nan 0.000 0.572 362 Y N -0.323 120.007 120.300 0.050 0.000 2.298 362 Y HA -0.017 4.534 4.550 0.000 0.000 0.287 362 Y C 2.337 178.260 175.900 0.039 0.000 1.164 362 Y CA 1.313 59.442 58.100 0.049 0.000 1.229 362 Y CB -0.704 37.786 38.460 0.051 0.000 0.977 362 Y HN 0.579 nan 8.280 nan 0.000 0.538 363 R N 0.558 120.418 120.500 -1.067 0.000 2.193 363 R HA 0.025 4.365 4.340 0.000 0.000 0.229 363 R C -0.257 175.874 176.300 -0.282 0.000 1.110 363 R CA 0.743 56.434 56.100 -0.682 0.000 0.988 363 R CB -0.102 29.805 30.300 -0.656 0.000 0.871 363 R HN 0.219 nan 8.270 nan 0.000 0.458 364 V N 3.004 122.785 119.914 -0.221 0.000 2.383 364 V HA 0.222 4.342 4.120 0.000 0.000 0.275 364 V C -2.168 173.832 176.094 -0.157 0.000 1.036 364 V CA -2.118 60.091 62.300 -0.151 0.000 0.889 364 V CB 1.424 33.181 31.823 -0.109 0.000 0.985 364 V HN 0.054 nan 8.190 nan 0.000 0.459 365 P HA 0.314 nan 4.420 nan 0.000 0.269 365 P C -0.693 176.427 177.300 -0.301 0.000 1.209 365 P CA -0.436 62.474 63.100 -0.316 0.000 0.776 365 P CB 0.561 31.837 31.700 -0.705 0.000 0.876 366 R N 2.110 122.445 120.500 -0.275 0.000 2.387 366 R HA 0.544 4.884 4.340 0.000 0.000 0.314 366 R C -0.479 175.484 176.300 -0.562 0.000 0.958 366 R CA -0.368 55.469 56.100 -0.437 0.000 0.846 366 R CB 0.579 30.576 30.300 -0.504 0.000 1.147 366 R HN 0.448 nan 8.270 nan 0.000 0.447 367 I N 4.324 124.598 120.570 -0.494 0.000 2.362 367 I HA 0.351 4.522 4.170 0.000 0.000 0.289 367 I C -0.627 175.204 176.117 -0.477 0.000 0.994 367 I CA -0.644 60.434 61.300 -0.370 0.000 1.158 367 I CB 0.972 38.882 38.000 -0.149 0.000 1.315 367 I HN 0.346 nan 8.210 nan 0.000 0.451 368 F N 5.725 125.576 119.950 -0.166 0.000 2.408 368 F HA 0.489 5.016 4.527 0.000 0.000 0.344 368 F C -0.211 175.416 175.800 -0.288 0.000 1.112 368 F CA -0.379 57.568 58.000 -0.089 0.000 1.096 368 F CB 0.916 39.895 39.000 -0.035 0.000 1.129 368 F HN 0.178 nan 8.300 nan 0.000 0.486 369 F N 2.240 122.306 119.950 0.193 0.000 2.495 369 F HA 0.724 5.251 4.527 0.000 0.000 0.327 369 F C -0.108 175.735 175.800 0.071 0.000 1.103 369 F CA -0.856 57.209 58.000 0.109 0.000 0.949 369 F CB 2.033 41.077 39.000 0.075 0.000 1.142 369 F HN 0.284 nan 8.300 nan 0.000 0.457 370 R N 0.744 121.347 120.500 0.173 0.000 2.584 370 R HA 0.409 4.749 4.340 0.000 0.000 0.276 370 R C -1.076 175.209 176.300 -0.026 0.000 1.046 370 R CA -0.974 55.109 56.100 -0.027 0.000 0.906 370 R CB 0.418 30.648 30.300 -0.115 0.000 1.215 370 R HN 0.743 nan 8.270 nan 0.000 0.449 371 H N 3.563 122.678 119.070 0.075 0.000 2.770 371 H HA -0.200 4.356 4.556 0.000 0.000 0.309 371 H C -0.358 175.016 175.328 0.077 0.000 1.206 371 H CA 1.206 57.280 56.048 0.044 0.000 1.147 371 H CB -0.825 28.944 29.762 0.011 0.000 1.422 371 H HN 0.784 nan 8.280 nan 0.000 0.420 372 K N -1.995 118.512 120.400 0.178 0.000 3.349 372 K HA -0.293 4.027 4.320 0.000 0.000 0.310 372 K C 0.269 177.022 176.600 0.255 0.000 1.267 372 K CA 1.623 58.012 56.287 0.169 0.000 0.920 372 K CB -0.827 31.734 32.500 0.102 0.000 1.240 372 K HN 0.758 nan 8.250 nan 0.000 0.453 373 R N 0.182 120.853 120.500 0.284 0.000 2.807 373 R HA 0.553 4.893 4.340 0.000 0.000 0.276 373 R C -0.287 176.095 176.300 0.136 0.000 0.979 373 R CA -1.049 55.194 56.100 0.239 0.000 0.928 373 R CB 1.142 31.520 30.300 0.131 0.000 1.191 373 R HN -0.024 nan 8.270 nan 0.000 0.471 374 I N 2.777 123.301 120.570 -0.076 0.000 2.598 374 I HA -0.074 4.096 4.170 0.000 0.000 0.284 374 I C 1.324 177.344 176.117 -0.162 0.000 1.140 374 I CA 0.286 61.351 61.300 -0.392 0.000 1.420 374 I CB 0.818 38.586 38.000 -0.387 0.000 1.387 374 I HN 0.689 nan 8.210 nan 0.000 0.553 375 M N 5.292 124.809 119.600 -0.138 0.000 2.556 375 M HA 0.119 4.599 4.480 0.000 0.000 0.259 375 M C 0.095 176.388 176.300 -0.012 0.000 1.175 375 M CA 1.064 56.343 55.300 -0.035 0.000 1.202 375 M CB 0.632 33.234 32.600 0.004 0.000 1.298 375 M HN 0.711 nan 8.290 nan 0.000 0.492 376 E N -1.031 119.196 120.200 0.045 0.000 2.401 376 E HA 0.479 4.829 4.350 0.000 0.000 0.280 376 E C -1.447 175.255 176.600 0.169 0.000 1.039 376 E CA -1.054 55.400 56.400 0.089 0.000 0.814 376 E CB 1.975 31.722 29.700 0.078 0.000 1.275 376 E HN -0.035 nan 8.360 nan 0.000 0.448 377 V N 0.851 120.835 119.914 0.116 0.000 2.581 377 V HA 0.606 4.726 4.120 0.000 0.000 0.303 377 V C -0.353 175.823 176.094 0.136 0.000 1.041 377 V CA -0.771 61.582 62.300 0.089 0.000 0.907 377 V CB 1.619 33.489 31.823 0.078 0.000 0.994 377 V HN 0.691 nan 8.190 nan 0.000 0.442 378 R N 3.302 123.873 120.500 0.118 0.000 2.521 378 R HA 0.370 4.710 4.340 0.000 0.000 0.295 378 R C -1.076 175.252 176.300 0.047 0.000 1.183 378 R CA -0.431 55.756 56.100 0.145 0.000 0.957 378 R CB 0.743 31.240 30.300 0.328 0.000 1.171 378 R HN 0.750 nan 8.270 nan 0.000 0.494 379 N N 2.938 121.664 118.700 0.044 0.000 2.444 379 N HA 0.234 4.974 4.740 0.000 0.000 0.262 379 N C 0.376 175.929 175.510 0.072 0.000 0.974 379 N CA -0.098 52.966 53.050 0.024 0.000 0.933 379 N CB 1.967 40.481 38.487 0.044 0.000 1.137 379 N HN 0.662 nan 8.380 nan 0.000 0.498 380 A N 3.913 126.789 122.820 0.093 0.000 2.015 380 A HA -0.040 4.280 4.320 0.000 0.000 0.219 380 A C 1.502 179.186 177.584 0.167 0.000 1.163 380 A CA 0.931 53.056 52.037 0.147 0.000 0.646 380 A CB -0.557 18.571 19.000 0.213 0.000 0.806 380 A HN 0.798 nan 8.150 nan 0.000 0.448 381 I N -2.409 118.264 120.570 0.172 0.000 3.864 381 I HA 0.394 4.564 4.170 0.000 0.000 0.326 381 I C 0.774 176.965 176.117 0.122 0.000 1.444 381 I CA -0.333 61.068 61.300 0.169 0.000 1.195 381 I CB -0.488 37.638 38.000 0.209 0.000 1.124 381 I HN 0.060 nan 8.210 nan 0.000 0.407 382 G N 1.199 110.061 108.800 0.104 0.000 2.504 382 G HA2 0.596 4.556 3.960 0.000 0.000 0.288 382 G HA3 0.596 4.556 3.960 0.000 0.000 0.288 382 G C 0.355 175.304 174.900 0.081 0.000 1.182 382 G CA -0.142 45.011 45.100 0.089 0.000 0.894 382 G HN 0.585 nan 8.290 nan 0.000 0.521 383 R N 0.000 120.548 120.500 0.080 0.000 2.786 383 R HA 0.000 4.340 4.340 0.000 0.000 0.208 383 R CA 0.000 56.142 56.100 0.070 0.000 0.921 383 R CB 0.000 30.347 30.300 0.078 0.000 0.687 383 R HN 0.000 nan 8.270 nan 0.000 0.535