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 1guv_1_A DATA FIRST_RESID 22 DATA SEQUENCE AKLVcYFTNW AQYRQGEARF LPKDLDPSLc THLIYAFAGM TNHQLSTTEW DATA SEQUENCE NDETLYQEFN GLKKMNPKLK TLLAIGGWNF GTQKFTDMVA TANNRQTFVN DATA SEQUENCE SAIRFLRKYS FDGLDLDWEY PGSQGSPAVD KERFTTLVQD LANAFQQEAQ DATA SEQUENCE TSGKERLLLS AAVPAGQTYV DAGYEVDKIA QNLDFVNLMA YDFHGSWEKV DATA SEQUENCE TGHNSPLYKR XXXSGAAASL NVDAAVQQWL EKGTPASKLI LGMPTYGRSF DATA SEQUENCE TLASSSDTRV GAPATGSGTP GPFTKEGGML AYYEVcSWXX KGATKQRIQD DATA SEQUENCE QKVPYIFRDN QWVGFDDVES FKTKVSYLKQ KGLGGAMVWA LDLDDFAGFS DATA SEQUENCE cNQGRYPLIQ TLRQEL 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 22 A HA 0.000 nan 4.320 nan 0.000 0.244 22 A C 0.000 177.557 177.584 -0.046 0.000 1.274 22 A CA 0.000 52.015 52.037 -0.037 0.000 0.836 22 A CB 0.000 18.983 19.000 -0.028 0.000 0.831 23 K N 0.655 121.004 120.400 -0.084 0.000 2.207 23 K HA 0.720 5.039 4.320 -0.000 0.000 0.255 23 K C -1.234 175.313 176.600 -0.088 0.000 0.941 23 K CA -0.450 55.763 56.287 -0.123 0.000 0.825 23 K CB 2.278 34.569 32.500 -0.348 0.000 1.119 23 K HN 0.514 nan 8.250 nan 0.000 0.430 24 L N 3.837 125.039 121.223 -0.036 0.000 2.388 24 L HA 0.350 4.690 4.340 -0.000 0.000 0.267 24 L C -1.358 175.512 176.870 -0.001 0.000 0.995 24 L CA -0.915 53.913 54.840 -0.020 0.000 0.864 24 L CB 1.422 43.476 42.059 -0.008 0.000 1.216 24 L HN 0.378 nan 8.230 nan 0.000 0.430 25 V N 3.603 123.502 119.914 -0.025 0.000 2.383 25 V HA 0.361 4.481 4.120 -0.000 0.000 0.275 25 V C -0.126 175.975 176.094 0.011 0.000 1.036 25 V CA -0.335 61.960 62.300 -0.008 0.000 0.889 25 V CB 1.369 33.184 31.823 -0.014 0.000 0.985 25 V HN 0.778 nan 8.190 nan 0.000 0.459 26 c N 4.778 123.371 118.600 -0.012 0.000 2.455 26 c HA 0.586 5.156 4.570 -0.000 0.000 0.320 26 c C -0.516 173.543 174.090 -0.052 0.000 1.226 26 c CA -1.272 55.062 56.329 0.008 0.000 1.569 26 c CB 0.943 43.457 42.510 0.007 0.000 2.200 26 c HN 0.745 nan 8.230 nan 0.000 0.491 27 Y N 1.696 121.974 120.300 -0.035 0.000 2.350 27 Y HA 0.453 5.002 4.550 -0.001 0.000 0.340 27 Y C 0.111 175.782 175.900 -0.383 0.000 1.006 27 Y CA -0.169 57.824 58.100 -0.178 0.000 1.166 27 Y CB 0.554 38.816 38.460 -0.331 0.000 1.168 27 Y HN 0.707 nan 8.280 nan 0.000 0.502 28 F N 2.687 122.500 119.950 -0.227 0.000 2.379 28 F HA 0.517 5.044 4.527 -0.001 0.000 0.332 28 F C -0.025 175.341 175.800 -0.724 0.000 1.096 28 F CA -0.223 57.538 58.000 -0.397 0.000 1.105 28 F CB 1.039 39.979 39.000 -0.100 0.000 1.189 28 F HN 0.281 nan 8.300 nan 0.000 0.515 29 T N 5.328 118.737 114.554 -1.909 0.000 2.786 29 T HA 0.140 4.490 4.350 -0.000 0.000 0.283 29 T C 0.649 174.224 174.700 -1.875 0.000 0.992 29 T CA -0.675 60.285 62.100 -1.899 0.000 0.954 29 T CB 0.431 68.104 68.868 -1.991 0.000 0.934 29 T HN 0.712 nan 8.240 nan 0.000 0.440 30 N N 2.510 120.574 118.700 -1.060 0.000 2.449 30 N HA 0.002 4.742 4.740 -0.000 0.000 0.191 30 N C 0.999 176.430 175.510 -0.131 0.000 1.161 30 N CA -0.071 52.732 53.050 -0.411 0.000 0.863 30 N CB -0.119 38.399 38.487 0.051 0.000 0.980 30 N HN 0.874 nan 8.380 nan 0.000 0.458 31 W N -2.355 118.840 121.300 -0.176 0.000 2.975 31 W HA 0.638 5.298 4.660 -0.001 0.000 0.316 31 W C 1.498 177.952 176.519 -0.109 0.000 1.131 31 W CA -0.101 57.234 57.345 -0.017 0.000 1.624 31 W CB -0.149 29.415 29.460 0.173 0.000 1.038 31 W HN 0.050 nan 8.180 nan 0.000 0.571 32 A N 2.139 124.581 122.820 -0.629 0.000 2.131 32 A HA -0.266 4.053 4.320 -0.000 0.000 0.220 32 A C 2.063 179.519 177.584 -0.214 0.000 1.158 32 A CA 1.805 53.589 52.037 -0.422 0.000 0.665 32 A CB -0.781 17.811 19.000 -0.679 0.000 0.795 32 A HN 0.658 nan 8.150 nan 0.000 0.460 33 Q N -2.002 117.590 119.800 -0.347 0.000 2.500 33 Q HA -0.131 4.208 4.340 -0.000 0.000 0.213 33 Q C 0.591 176.428 176.000 -0.272 0.000 0.974 33 Q CA 1.252 56.857 55.803 -0.330 0.000 0.918 33 Q CB -0.476 27.988 28.738 -0.456 0.000 0.980 33 Q HN 0.718 nan 8.270 nan 0.000 0.505 34 Y N 0.658 121.051 120.300 0.155 0.000 2.458 34 Y HA 0.292 4.842 4.550 -0.001 0.000 0.256 34 Y C 0.407 176.413 175.900 0.176 0.000 1.159 34 Y CA -0.747 57.459 58.100 0.177 0.000 1.261 34 Y CB 0.345 38.930 38.460 0.209 0.000 1.119 34 Y HN -0.029 nan 8.280 nan 0.000 0.524 35 R N 1.529 122.188 120.500 0.265 0.000 2.543 35 R HA 0.273 4.613 4.340 -0.000 0.000 0.277 35 R C 0.603 177.053 176.300 0.250 0.000 1.074 35 R CA 0.161 56.429 56.100 0.281 0.000 1.076 35 R CB 0.153 30.611 30.300 0.264 0.000 0.993 35 R HN 0.345 nan 8.270 nan 0.000 0.459 36 Q N 1.176 121.162 119.800 0.310 0.000 2.382 36 Q HA 0.433 4.772 4.340 -0.000 0.000 0.229 36 Q C 1.141 177.274 176.000 0.221 0.000 1.006 36 Q CA 0.050 56.008 55.803 0.259 0.000 0.916 36 Q CB 0.035 28.923 28.738 0.249 0.000 1.235 36 Q HN 0.826 nan 8.270 nan 0.000 0.512 37 G N 0.243 109.120 108.800 0.129 0.000 2.652 37 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.318 37 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.318 37 G C 0.828 175.612 174.900 -0.193 0.000 1.295 37 G CA 0.836 45.945 45.100 0.015 0.000 0.999 37 G HN 0.977 nan 8.290 nan 0.000 0.548 38 E N 1.220 121.128 120.200 -0.488 0.000 2.516 38 E HA 0.305 4.654 4.350 -0.000 0.000 0.199 38 E C 2.437 178.335 176.600 -1.170 0.000 1.069 38 E CA 0.625 56.466 56.400 -0.932 0.000 0.876 38 E CB -0.108 28.721 29.700 -1.452 0.000 0.843 38 E HN 0.644 nan 8.360 nan 0.000 0.530 39 A N 1.160 123.520 122.820 -0.767 0.000 2.081 39 A HA 0.004 4.323 4.320 -0.000 0.000 0.214 39 A C 1.282 178.979 177.584 0.188 0.000 1.158 39 A CA -0.226 51.619 52.037 -0.321 0.000 0.724 39 A CB 0.007 18.849 19.000 -0.263 0.000 0.826 39 A HN 0.043 nan 8.150 nan 0.000 0.463 40 R N -0.456 120.083 120.500 0.065 0.000 2.494 40 R HA 0.057 4.397 4.340 -0.000 0.000 0.291 40 R C -1.504 174.829 176.300 0.054 0.000 0.953 40 R CA 0.535 56.680 56.100 0.075 0.000 1.098 40 R CB -0.154 30.166 30.300 0.032 0.000 0.911 40 R HN 0.316 nan 8.270 nan 0.000 0.407 41 F N 6.490 126.301 119.950 -0.232 0.000 2.499 41 F HA 0.339 4.866 4.527 -0.001 0.000 0.333 41 F C -1.167 174.484 175.800 -0.249 0.000 1.138 41 F CA -0.938 56.807 58.000 -0.424 0.000 0.945 41 F CB 0.780 39.344 39.000 -0.727 0.000 1.181 41 F HN 0.243 nan 8.300 nan 0.000 0.435 42 L N 7.104 128.130 121.223 -0.328 0.000 2.260 42 L HA 0.531 4.871 4.340 -0.000 0.000 0.265 42 L C -1.727 175.084 176.870 -0.099 0.000 1.015 42 L CA -2.522 52.283 54.840 -0.058 0.000 0.826 42 L CB 1.368 43.381 42.059 -0.077 0.000 1.373 42 L HN 0.319 nan 8.230 nan 0.000 0.450 43 P HA -0.151 nan 4.420 nan 0.000 0.219 43 P C 1.067 178.308 177.300 -0.099 0.000 1.146 43 P CA 1.316 64.410 63.100 -0.011 0.000 0.808 43 P CB 0.203 31.893 31.700 -0.018 0.000 0.779 44 K N -0.732 119.589 120.400 -0.132 0.000 2.442 44 K HA -0.084 4.236 4.320 -0.000 0.000 0.198 44 K C 0.799 177.304 176.600 -0.159 0.000 1.042 44 K CA 1.291 57.506 56.287 -0.120 0.000 0.958 44 K CB -0.475 31.969 32.500 -0.093 0.000 0.766 44 K HN 0.091 nan 8.250 nan 0.000 0.474 45 D N 1.023 121.218 120.400 -0.342 0.000 2.339 45 D HA 0.079 4.719 4.640 -0.000 0.000 0.217 45 D C 0.197 176.426 176.300 -0.118 0.000 1.050 45 D CA 0.151 53.921 54.000 -0.383 0.000 0.856 45 D CB 0.251 40.445 40.800 -1.010 0.000 0.922 45 D HN 0.233 nan 8.370 nan 0.000 0.518 46 L N 1.191 122.391 121.223 -0.037 0.000 2.371 46 L HA 0.136 4.476 4.340 -0.000 0.000 0.272 46 L C 0.522 177.440 176.870 0.080 0.000 1.124 46 L CA -0.223 54.697 54.840 0.133 0.000 0.816 46 L CB 0.998 43.082 42.059 0.042 0.000 1.129 46 L HN -0.226 nan 8.230 nan 0.000 0.448 47 D N 4.895 125.327 120.400 0.053 0.000 2.427 47 D HA 0.184 4.824 4.640 -0.000 0.000 0.226 47 D C -1.524 174.722 176.300 -0.091 0.000 1.076 47 D CA -1.949 52.046 54.000 -0.009 0.000 0.849 47 D CB 1.679 42.448 40.800 -0.051 0.000 1.052 47 D HN 0.239 nan 8.370 nan 0.000 0.515 48 P HA -0.121 nan 4.420 nan 0.000 0.223 48 P C 0.802 178.032 177.300 -0.116 0.000 1.144 48 P CA 0.734 63.759 63.100 -0.126 0.000 0.783 48 P CB 0.347 31.977 31.700 -0.118 0.000 0.771 49 S N -2.233 113.413 115.700 -0.090 0.000 2.523 49 S HA 0.079 4.548 4.470 -0.000 0.000 0.217 49 S C 1.694 176.246 174.600 -0.080 0.000 0.996 49 S CA -0.379 57.774 58.200 -0.078 0.000 0.921 49 S CB -0.963 62.205 63.200 -0.054 0.000 0.829 49 S HN -0.039 nan 8.310 nan 0.000 0.495 50 L N 2.098 123.257 121.223 -0.107 0.000 2.017 50 L HA 0.210 4.550 4.340 -0.000 0.000 0.208 50 L C 0.591 177.398 176.870 -0.106 0.000 1.073 50 L CA 1.342 56.103 54.840 -0.132 0.000 0.745 50 L CB -0.526 41.373 42.059 -0.268 0.000 0.894 50 L HN 0.484 nan 8.230 nan 0.000 0.432 51 c N -1.655 116.881 118.600 -0.107 0.000 2.562 51 c HA 0.479 5.049 4.570 -0.000 0.000 0.332 51 c C 1.887 175.944 174.090 -0.056 0.000 1.201 51 c CA -0.048 56.243 56.329 -0.063 0.000 1.803 51 c CB 1.382 43.860 42.510 -0.054 0.000 2.328 51 c HN 0.585 nan 8.230 nan 0.000 0.500 52 T N -1.918 112.637 114.554 0.002 0.000 3.035 52 T HA 0.062 4.411 4.350 -0.000 0.000 0.259 52 T C 0.176 174.776 174.700 -0.165 0.000 1.078 52 T CA 1.045 63.126 62.100 -0.033 0.000 1.132 52 T CB -0.208 68.713 68.868 0.087 0.000 0.900 52 T HN 0.790 nan 8.240 nan 0.000 0.480 53 H N -0.171 118.843 119.070 -0.093 0.000 2.667 53 H HA 0.697 5.253 4.556 -0.001 0.000 0.353 53 H C -1.180 174.135 175.328 -0.022 0.000 1.072 53 H CA -0.858 55.160 56.048 -0.050 0.000 1.214 53 H CB 1.537 31.265 29.762 -0.058 0.000 1.600 53 H HN 0.132 nan 8.280 nan 0.000 0.527 54 L N 4.185 125.481 121.223 0.123 0.000 2.333 54 L HA 0.528 4.867 4.340 -0.000 0.000 0.280 54 L C -0.588 176.501 176.870 0.366 0.000 1.004 54 L CA -0.487 54.454 54.840 0.167 0.000 0.820 54 L CB 1.560 43.616 42.059 -0.005 0.000 1.247 54 L HN 0.481 nan 8.230 nan 0.000 0.416 55 I N 2.699 123.416 120.570 0.244 0.000 2.404 55 I HA 0.254 4.423 4.170 -0.000 0.000 0.293 55 I C -0.977 175.319 176.117 0.297 0.000 0.992 55 I CA -0.704 60.721 61.300 0.208 0.000 1.149 55 I CB 1.905 39.791 38.000 -0.190 0.000 1.315 55 I HN 0.498 nan 8.210 nan 0.000 0.446 56 Y N 5.772 126.129 120.300 0.095 0.000 2.383 56 Y HA 0.589 5.138 4.550 -0.000 0.000 0.344 56 Y C 0.087 175.998 175.900 0.018 0.000 0.986 56 Y CA -0.522 57.540 58.100 -0.064 0.000 1.175 56 Y CB 0.979 39.205 38.460 -0.391 0.000 1.152 56 Y HN 0.645 nan 8.280 nan 0.000 0.511 57 A N 6.701 129.492 122.820 -0.049 0.000 2.318 57 A HA 0.748 5.068 4.320 -0.000 0.000 0.324 57 A C -1.716 175.868 177.584 0.000 0.000 1.170 57 A CA -0.365 51.442 52.037 -0.384 0.000 0.810 57 A CB 0.354 18.642 19.000 -1.186 0.000 1.198 57 A HN 0.689 nan 8.150 nan 0.000 0.484 58 F N 0.530 120.801 119.950 0.536 0.000 2.603 58 F HA 0.706 5.233 4.527 -0.000 0.000 0.317 58 F C 0.565 176.557 175.800 0.320 0.000 1.066 58 F CA -0.360 57.884 58.000 0.406 0.000 0.941 58 F CB 2.226 41.415 39.000 0.315 0.000 1.291 58 F HN 0.734 nan 8.300 nan 0.000 0.472 59 A N 0.504 123.558 122.820 0.391 0.000 2.295 59 A HA 0.826 5.145 4.320 -0.000 0.000 0.318 59 A C 0.104 177.685 177.584 -0.004 0.000 1.134 59 A CA 0.110 52.247 52.037 0.166 0.000 0.827 59 A CB 0.580 19.583 19.000 0.005 0.000 1.136 59 A HN 0.938 nan 8.150 nan 0.000 0.493 60 G N -0.487 108.298 108.800 -0.025 0.000 2.971 60 G HA2 0.611 4.570 3.960 -0.000 0.000 0.235 60 G HA3 0.611 4.570 3.960 -0.000 0.000 0.235 60 G C -0.729 174.104 174.900 -0.112 0.000 1.351 60 G CA -0.617 44.445 45.100 -0.062 0.000 1.039 60 G HN 0.699 nan 8.290 nan 0.000 0.563 61 M N 0.686 120.305 119.600 0.033 0.000 2.234 61 M HA 0.357 4.836 4.480 -0.000 0.000 0.267 61 M C -1.631 174.655 176.300 -0.024 0.000 1.022 61 M CA -0.309 54.972 55.300 -0.032 0.000 0.993 61 M CB 2.149 34.671 32.600 -0.131 0.000 1.836 61 M HN 0.443 nan 8.290 nan 0.000 0.479 62 T N 3.998 118.546 114.554 -0.010 0.000 2.864 62 T HA 0.396 4.746 4.350 -0.000 0.000 0.299 62 T C -0.044 174.674 174.700 0.029 0.000 1.011 62 T CA -0.390 61.710 62.100 0.000 0.000 0.975 62 T CB 0.599 69.489 68.868 0.037 0.000 0.962 62 T HN 0.805 nan 8.240 nan 0.000 0.448 63 N N 2.923 121.634 118.700 0.019 0.000 2.758 63 N HA -0.185 4.555 4.740 -0.000 0.000 0.248 63 N C 0.039 175.720 175.510 0.284 0.000 1.076 63 N CA 0.987 54.127 53.050 0.150 0.000 0.696 63 N CB -1.427 37.138 38.487 0.130 0.000 0.979 63 N HN 1.038 nan 8.380 nan 0.000 0.550 64 H N -3.096 115.972 119.070 -0.003 0.000 3.631 64 H HA -0.201 4.354 4.556 -0.000 0.000 0.202 64 H C 0.308 175.731 175.328 0.158 0.000 1.029 64 H CA 1.958 58.019 56.048 0.022 0.000 1.208 64 H CB -1.358 28.424 29.762 0.032 0.000 1.124 64 H HN 0.626 nan 8.280 nan 0.000 0.329 65 Q N -0.066 119.857 119.800 0.205 0.000 2.248 65 Q HA 0.520 4.860 4.340 -0.000 0.000 0.263 65 Q C -0.202 175.858 176.000 0.101 0.000 1.007 65 Q CA -1.370 54.543 55.803 0.183 0.000 0.877 65 Q CB 2.106 30.911 28.738 0.112 0.000 1.315 65 Q HN 0.115 nan 8.270 nan 0.000 0.454 66 L N 1.644 122.835 121.223 -0.054 0.000 2.367 66 L HA 0.270 4.610 4.340 -0.000 0.000 0.275 66 L C -0.686 175.865 176.870 -0.532 0.000 1.129 66 L CA 0.804 55.451 54.840 -0.322 0.000 0.839 66 L CB 0.649 42.320 42.059 -0.646 0.000 1.133 66 L HN 0.769 nan 8.230 nan 0.000 0.453 67 S N 1.140 116.624 115.700 -0.360 0.000 2.651 67 S HA 0.735 5.205 4.470 -0.000 0.000 0.279 67 S C -0.231 174.408 174.600 0.065 0.000 1.148 67 S CA -0.327 57.819 58.200 -0.089 0.000 0.837 67 S CB 1.147 64.378 63.200 0.051 0.000 1.138 67 S HN 0.802 nan 8.310 nan 0.000 0.478 68 T N -1.289 113.420 114.554 0.259 0.000 2.766 68 T HA 0.518 4.868 4.350 -0.000 0.000 0.295 68 T C 1.045 175.853 174.700 0.181 0.000 1.024 68 T CA 0.384 62.627 62.100 0.237 0.000 1.018 68 T CB 0.571 69.516 68.868 0.128 0.000 1.002 68 T HN 1.227 nan 8.240 nan 0.000 0.532 69 T N -3.491 111.182 114.554 0.199 0.000 3.009 69 T HA 0.315 4.665 4.350 -0.000 0.000 0.267 69 T C 0.021 174.855 174.700 0.224 0.000 0.942 69 T CA -0.440 61.788 62.100 0.213 0.000 0.883 69 T CB 0.343 69.369 68.868 0.263 0.000 1.192 69 T HN 0.572 nan 8.240 nan 0.000 0.524 70 E N 1.099 121.412 120.200 0.188 0.000 2.266 70 E HA 0.236 4.586 4.350 -0.000 0.000 0.268 70 E C 0.379 177.007 176.600 0.045 0.000 0.879 70 E CA -0.823 55.691 56.400 0.189 0.000 0.762 70 E CB 1.291 31.102 29.700 0.186 0.000 1.199 70 E HN 0.377 nan 8.360 nan 0.000 0.422 71 W N 3.815 125.195 121.300 0.134 0.000 2.341 71 W HA -0.177 4.482 4.660 -0.001 0.000 0.283 71 W C 0.501 177.048 176.519 0.046 0.000 1.215 71 W CA 1.365 58.761 57.345 0.085 0.000 1.211 71 W CB -0.623 28.893 29.460 0.093 0.000 1.131 71 W HN 0.369 nan 8.180 nan 0.000 0.552 72 N N 0.497 118.454 118.700 -1.239 0.000 2.273 72 N HA -0.037 4.702 4.740 -0.000 0.000 0.231 72 N C 0.505 175.640 175.510 -0.624 0.000 1.134 72 N CA 0.145 52.541 53.050 -1.091 0.000 0.856 72 N CB -0.695 36.747 38.487 -1.742 0.000 1.068 72 N HN -0.113 nan 8.380 nan 0.000 0.510 73 D N 1.665 121.751 120.400 -0.524 0.000 2.104 73 D HA -0.166 4.474 4.640 -0.000 0.000 0.194 73 D C 1.353 176.928 176.300 -1.209 0.000 0.994 73 D CA 1.196 54.753 54.000 -0.738 0.000 0.830 73 D CB 0.163 40.556 40.800 -0.678 0.000 0.959 73 D HN 0.495 nan 8.370 nan 0.000 0.452 74 E N -0.191 119.479 120.200 -0.883 0.000 2.085 74 E HA -0.141 4.209 4.350 -0.000 0.000 0.194 74 E C 2.023 178.396 176.600 -0.378 0.000 0.994 74 E CA 1.297 57.284 56.400 -0.689 0.000 0.801 74 E CB -0.059 29.478 29.700 -0.272 0.000 0.743 74 E HN 0.242 nan 8.360 nan 0.000 0.453 75 T N 1.256 115.623 114.554 -0.310 0.000 2.737 75 T HA -0.105 4.245 4.350 -0.000 0.000 0.265 75 T C 1.811 176.419 174.700 -0.153 0.000 1.038 75 T CA 0.622 62.612 62.100 -0.183 0.000 1.144 75 T CB -0.123 68.639 68.868 -0.176 0.000 0.866 75 T HN -0.033 nan 8.240 nan 0.000 0.434 76 L N 0.336 121.437 121.223 -0.203 0.000 2.017 76 L HA -0.035 4.305 4.340 -0.000 0.000 0.208 76 L C 2.260 179.166 176.870 0.061 0.000 1.073 76 L CA 1.571 56.381 54.840 -0.049 0.000 0.745 76 L CB -1.240 40.845 42.059 0.042 0.000 0.894 76 L HN 0.270 nan 8.230 nan 0.000 0.432 77 Y N -0.320 119.862 120.300 -0.198 0.000 2.102 77 Y HA -0.304 4.246 4.550 -0.000 0.000 0.280 77 Y C 2.778 178.582 175.900 -0.160 0.000 1.178 77 Y CA 1.279 59.207 58.100 -0.285 0.000 1.146 77 Y CB -1.078 37.135 38.460 -0.412 0.000 0.968 77 Y HN 0.337 nan 8.280 nan 0.000 0.504 78 Q N 0.876 120.711 119.800 0.058 0.000 2.119 78 Q HA -0.185 4.154 4.340 -0.000 0.000 0.201 78 Q C 1.679 177.673 176.000 -0.010 0.000 0.972 78 Q CA 1.775 57.587 55.803 0.015 0.000 0.847 78 Q CB 0.002 28.749 28.738 0.015 0.000 0.903 78 Q HN 0.686 nan 8.270 nan 0.000 0.433 79 E N -0.725 119.477 120.200 0.003 0.000 2.107 79 E HA -0.124 4.225 4.350 -0.000 0.000 0.191 79 E C 1.875 178.460 176.600 -0.025 0.000 0.982 79 E CA 0.551 56.939 56.400 -0.019 0.000 0.809 79 E CB -0.377 29.312 29.700 -0.018 0.000 0.756 79 E HN 0.248 nan 8.360 nan 0.000 0.459 80 F N 2.946 122.806 119.950 -0.149 0.000 2.043 80 F HA -0.223 4.304 4.527 -0.001 0.000 0.297 80 F C 1.922 177.596 175.800 -0.210 0.000 1.121 80 F CA 1.665 59.552 58.000 -0.188 0.000 1.199 80 F CB 0.000 38.905 39.000 -0.159 0.000 0.968 80 F HN -0.078 nan 8.300 nan 0.000 0.478 81 N N 0.168 118.799 118.700 -0.116 0.000 2.457 81 N HA -0.029 4.710 4.740 -0.000 0.000 0.180 81 N C 1.909 177.302 175.510 -0.194 0.000 1.050 81 N CA 0.970 53.875 53.050 -0.241 0.000 0.906 81 N CB -0.750 37.549 38.487 -0.315 0.000 0.968 81 N HN 0.435 nan 8.380 nan 0.000 0.445 82 G N 0.958 109.673 108.800 -0.143 0.000 2.535 82 G HA2 -0.117 3.843 3.960 -0.000 0.000 0.218 82 G HA3 -0.117 3.843 3.960 -0.000 0.000 0.218 82 G C 1.547 176.368 174.900 -0.132 0.000 1.122 82 G CA 0.078 45.109 45.100 -0.115 0.000 0.769 82 G HN 0.236 nan 8.290 nan 0.000 0.549 83 L N -0.634 120.480 121.223 -0.183 0.000 2.275 83 L HA 0.003 4.343 4.340 -0.000 0.000 0.215 83 L C 2.740 179.510 176.870 -0.167 0.000 1.119 83 L CA 0.832 55.560 54.840 -0.187 0.000 0.790 83 L CB -0.156 41.744 42.059 -0.265 0.000 0.919 83 L HN 0.148 nan 8.230 nan 0.000 0.443 84 K N 0.581 120.878 120.400 -0.172 0.000 2.280 84 K HA -0.154 4.166 4.320 -0.000 0.000 0.202 84 K C 2.472 179.006 176.600 -0.110 0.000 1.047 84 K CA 1.386 57.586 56.287 -0.144 0.000 0.942 84 K CB -0.182 32.233 32.500 -0.143 0.000 0.739 84 K HN 0.274 nan 8.250 nan 0.000 0.457 85 K N 0.680 121.020 120.400 -0.101 0.000 2.209 85 K HA -0.066 4.254 4.320 -0.000 0.000 0.204 85 K C 1.773 178.330 176.600 -0.072 0.000 1.048 85 K CA 1.681 57.921 56.287 -0.078 0.000 0.940 85 K CB -0.573 31.885 32.500 -0.070 0.000 0.729 85 K HN 0.198 nan 8.250 nan 0.000 0.451 86 M N -0.534 119.018 119.600 -0.080 0.000 2.486 86 M HA 0.130 4.609 4.480 -0.000 0.000 0.264 86 M C 0.521 176.777 176.300 -0.073 0.000 1.125 86 M CA 0.375 55.633 55.300 -0.070 0.000 1.144 86 M CB 0.503 33.060 32.600 -0.071 0.000 1.353 86 M HN 0.290 nan 8.290 nan 0.000 0.466 87 N N 0.419 119.065 118.700 -0.090 0.000 2.690 87 N HA 0.245 4.984 4.740 -0.000 0.000 0.255 87 N C -2.458 172.991 175.510 -0.101 0.000 1.195 87 N CA -1.740 51.255 53.050 -0.092 0.000 0.790 87 N CB 1.166 39.591 38.487 -0.103 0.000 1.216 87 N HN -0.223 nan 8.380 nan 0.000 0.528 88 P HA -0.084 nan 4.420 nan 0.000 0.223 88 P C 0.908 178.152 177.300 -0.094 0.000 1.144 88 P CA 0.915 63.964 63.100 -0.085 0.000 0.783 88 P CB 0.446 32.106 31.700 -0.067 0.000 0.771 89 K N -0.980 119.361 120.400 -0.099 0.000 2.186 89 K HA 0.037 4.357 4.320 -0.000 0.000 0.202 89 K C 0.901 177.406 176.600 -0.159 0.000 1.052 89 K CA -0.002 56.219 56.287 -0.111 0.000 0.965 89 K CB -0.877 31.566 32.500 -0.095 0.000 0.746 89 K HN 0.184 nan 8.250 nan 0.000 0.457 90 L N 2.618 123.741 121.223 -0.166 0.000 2.559 90 L HA -0.072 4.267 4.340 -0.000 0.000 0.282 90 L C -0.206 176.528 176.870 -0.226 0.000 1.232 90 L CA 0.877 55.591 54.840 -0.210 0.000 0.885 90 L CB 0.288 42.229 42.059 -0.197 0.000 1.131 90 L HN -0.113 nan 8.230 nan 0.000 0.498 91 K N 3.359 123.576 120.400 -0.306 0.000 2.270 91 K HA 0.543 4.862 4.320 -0.000 0.000 0.255 91 K C -0.540 176.017 176.600 -0.072 0.000 0.936 91 K CA -0.469 55.686 56.287 -0.220 0.000 0.809 91 K CB 1.787 34.076 32.500 -0.351 0.000 1.131 91 K HN 0.762 nan 8.250 nan 0.000 0.427 92 T N -0.003 114.586 114.554 0.059 0.000 2.863 92 T HA 0.755 5.104 4.350 -0.000 0.000 0.285 92 T C -0.323 174.637 174.700 0.434 0.000 1.009 92 T CA -0.835 61.420 62.100 0.258 0.000 0.989 92 T CB 1.053 70.057 68.868 0.227 0.000 1.004 92 T HN 0.192 nan 8.240 nan 0.000 0.455 93 L N 1.805 123.332 121.223 0.507 0.000 2.327 93 L HA 0.728 5.068 4.340 -0.000 0.000 0.258 93 L C -1.025 175.945 176.870 0.167 0.000 1.024 93 L CA -1.101 53.951 54.840 0.353 0.000 0.825 93 L CB 1.929 44.145 42.059 0.261 0.000 1.386 93 L HN 0.676 nan 8.230 nan 0.000 0.417 94 L N 1.683 122.747 121.223 -0.264 0.000 2.296 94 L HA 0.872 5.211 4.340 -0.000 0.000 0.286 94 L C -0.385 176.451 176.870 -0.055 0.000 1.023 94 L CA -0.582 53.938 54.840 -0.534 0.000 0.812 94 L CB 1.043 42.400 42.059 -1.170 0.000 1.223 94 L HN 0.681 nan 8.230 nan 0.000 0.421 95 A N 6.499 129.408 122.820 0.150 0.000 2.274 95 A HA 0.605 4.924 4.320 -0.000 0.000 0.309 95 A C -0.533 177.304 177.584 0.422 0.000 1.226 95 A CA -0.468 51.786 52.037 0.361 0.000 0.853 95 A CB 0.304 19.633 19.000 0.548 0.000 1.146 95 A HN 0.837 nan 8.150 nan 0.000 0.518 96 I N 2.683 123.449 120.570 0.327 0.000 2.441 96 I HA 0.683 4.852 4.170 -0.000 0.000 0.295 96 I C 0.600 176.749 176.117 0.053 0.000 0.994 96 I CA 1.004 62.393 61.300 0.149 0.000 1.144 96 I CB 1.524 39.571 38.000 0.080 0.000 1.314 96 I HN 1.195 nan 8.210 nan 0.000 0.445 97 G N 4.251 112.799 108.800 -0.420 0.000 2.545 97 G HA2 0.355 4.314 3.960 -0.000 0.000 0.211 97 G HA3 0.355 4.314 3.960 -0.000 0.000 0.211 97 G C 0.063 174.473 174.900 -0.817 0.000 1.167 97 G CA -0.235 44.540 45.100 -0.542 0.000 1.151 97 G HN 1.989 nan 8.290 nan 0.000 0.581 98 G N -2.687 105.672 108.800 -0.736 0.000 2.541 98 G HA2 0.209 4.169 3.960 -0.000 0.000 0.686 98 G HA3 0.209 4.169 3.960 -0.000 0.000 0.686 98 G C 0.291 174.992 174.900 -0.331 0.000 1.286 98 G CA 0.486 44.982 45.100 -1.007 0.000 0.894 98 G HN 1.921 nan 8.290 nan 0.000 0.575 99 W N 0.385 121.450 121.300 -0.392 0.000 2.352 99 W HA -0.076 4.584 4.660 -0.000 0.000 0.322 99 W C 2.675 179.066 176.519 -0.212 0.000 1.208 99 W CA 2.347 59.520 57.345 -0.287 0.000 1.286 99 W CB -0.507 28.804 29.460 -0.248 0.000 1.167 99 W HN 0.708 nan 8.180 nan 0.000 0.469 100 N N -0.862 117.853 118.700 0.026 0.000 2.192 100 N HA -0.287 4.452 4.740 -0.000 0.000 0.188 100 N C 1.758 177.169 175.510 -0.165 0.000 1.013 100 N CA 1.453 54.450 53.050 -0.089 0.000 0.863 100 N CB -0.747 37.707 38.487 -0.055 0.000 0.990 100 N HN 0.093 nan 8.380 nan 0.000 0.430 101 F N 1.483 121.261 119.950 -0.285 0.000 2.250 101 F HA -0.035 4.491 4.527 -0.001 0.000 0.301 101 F C 1.496 177.115 175.800 -0.302 0.000 1.077 101 F CA 1.232 59.062 58.000 -0.283 0.000 1.348 101 F CB -0.400 38.422 39.000 -0.296 0.000 1.040 101 F HN 0.080 nan 8.300 nan 0.000 0.509 102 G N -0.621 107.986 108.800 -0.322 0.000 2.782 102 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.228 102 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.228 102 G C 0.522 175.294 174.900 -0.215 0.000 1.372 102 G CA 0.169 45.035 45.100 -0.390 0.000 0.862 102 G HN 0.739 nan 8.290 nan 0.000 0.547 103 T N -2.982 111.474 114.554 -0.162 0.000 2.969 103 T HA 0.137 4.487 4.350 -0.000 0.000 0.250 103 T C 2.197 176.828 174.700 -0.115 0.000 1.021 103 T CA 1.162 63.283 62.100 0.035 0.000 1.003 103 T CB 0.049 69.137 68.868 0.366 0.000 1.040 103 T HN 0.999 nan 8.240 nan 0.000 0.492 104 Q N 2.559 122.233 119.800 -0.209 0.000 2.118 104 Q HA -0.225 4.114 4.340 -0.000 0.000 0.211 104 Q C 1.780 177.604 176.000 -0.292 0.000 0.998 104 Q CA 1.607 57.279 55.803 -0.218 0.000 0.872 104 Q CB -0.710 27.880 28.738 -0.246 0.000 0.925 104 Q HN 0.495 nan 8.270 nan 0.000 0.414 105 K N -0.523 119.590 120.400 -0.479 0.000 2.288 105 K HA 0.019 4.338 4.320 -0.000 0.000 0.201 105 K C 1.965 178.244 176.600 -0.534 0.000 1.048 105 K CA 0.602 56.579 56.287 -0.516 0.000 0.956 105 K CB -0.097 32.030 32.500 -0.622 0.000 0.746 105 K HN 0.138 nan 8.250 nan 0.000 0.461 106 F N 1.629 121.210 119.950 -0.615 0.000 2.234 106 F HA -0.094 4.432 4.527 -0.001 0.000 0.296 106 F C 2.541 177.988 175.800 -0.588 0.000 1.089 106 F CA 1.067 58.475 58.000 -0.986 0.000 1.343 106 F CB -0.639 36.859 39.000 -2.503 0.000 1.040 106 F HN -0.055 nan 8.300 nan 0.000 0.498 107 T N -0.362 114.127 114.554 -0.109 0.000 2.674 107 T HA -0.183 4.167 4.350 -0.000 0.000 0.265 107 T C 1.348 176.080 174.700 0.054 0.000 1.039 107 T CA 1.830 64.011 62.100 0.134 0.000 1.150 107 T CB -0.388 68.558 68.868 0.130 0.000 0.864 107 T HN 0.119 nan 8.240 nan 0.000 0.427 108 D N 0.628 121.003 120.400 -0.042 0.000 2.219 108 D HA -0.017 4.623 4.640 -0.000 0.000 0.205 108 D C 1.912 178.272 176.300 0.101 0.000 0.970 108 D CA 0.478 54.482 54.000 0.007 0.000 0.851 108 D CB -0.280 40.475 40.800 -0.074 0.000 0.943 108 D HN 0.242 nan 8.370 nan 0.000 0.488 109 M N 0.853 120.443 119.600 -0.016 0.000 2.134 109 M HA -0.055 4.425 4.480 -0.000 0.000 0.262 109 M C 1.601 177.973 176.300 0.121 0.000 1.076 109 M CA 1.110 56.475 55.300 0.108 0.000 1.143 109 M CB -0.066 32.419 32.600 -0.191 0.000 1.346 109 M HN -0.015 nan 8.290 nan 0.000 0.421 110 V N -0.896 119.081 119.914 0.104 0.000 3.544 110 V HA 0.298 4.418 4.120 -0.000 0.000 0.304 110 V C 1.737 177.914 176.094 0.139 0.000 1.256 110 V CA 0.620 63.013 62.300 0.154 0.000 1.232 110 V CB -1.936 30.049 31.823 0.269 0.000 1.065 110 V HN 0.369 nan 8.190 nan 0.000 0.423 111 A N 1.826 124.715 122.820 0.116 0.000 1.840 111 A HA 0.134 4.453 4.320 -0.000 0.000 0.214 111 A C 1.826 179.450 177.584 0.067 0.000 1.198 111 A CA 1.905 53.997 52.037 0.091 0.000 0.608 111 A CB -0.705 18.345 19.000 0.084 0.000 0.839 111 A HN 0.748 nan 8.150 nan 0.000 0.443 112 T N -4.269 110.318 114.554 0.056 0.000 2.960 112 T HA 0.684 5.034 4.350 -0.000 0.000 0.279 112 T C 1.032 175.756 174.700 0.040 0.000 1.171 112 T CA 0.212 62.333 62.100 0.034 0.000 0.952 112 T CB 0.863 69.737 68.868 0.010 0.000 2.127 112 T HN 0.634 nan 8.240 nan 0.000 0.573 113 A N -0.399 122.437 122.820 0.027 0.000 2.009 113 A HA 0.269 4.589 4.320 -0.000 0.000 0.197 113 A C 2.129 179.729 177.584 0.027 0.000 1.471 113 A CA 0.494 52.550 52.037 0.032 0.000 0.973 113 A CB -0.767 18.247 19.000 0.023 0.000 1.020 113 A HN 0.774 nan 8.150 nan 0.000 0.476 114 N N 1.159 119.864 118.700 0.008 0.000 2.149 114 N HA -0.188 4.551 4.740 -0.000 0.000 0.188 114 N C 1.278 176.782 175.510 -0.009 0.000 1.019 114 N CA 1.854 54.902 53.050 -0.004 0.000 0.857 114 N CB -0.337 38.137 38.487 -0.022 0.000 0.997 114 N HN 0.673 nan 8.380 nan 0.000 0.426 115 N N -0.048 118.634 118.700 -0.030 0.000 2.216 115 N HA -0.012 4.728 4.740 -0.000 0.000 0.183 115 N C 1.818 177.388 175.510 0.100 0.000 1.017 115 N CA 0.468 53.488 53.050 -0.050 0.000 0.861 115 N CB 0.092 38.501 38.487 -0.130 0.000 0.986 115 N HN 0.262 nan 8.380 nan 0.000 0.428 116 R N 0.648 121.216 120.500 0.113 0.000 2.096 116 R HA -0.151 4.189 4.340 -0.000 0.000 0.235 116 R C 2.752 179.160 176.300 0.180 0.000 1.127 116 R CA 1.614 57.817 56.100 0.172 0.000 0.968 116 R CB -0.633 29.742 30.300 0.125 0.000 0.861 116 R HN 0.389 nan 8.270 nan 0.000 0.440 117 Q N 0.603 120.465 119.800 0.104 0.000 2.124 117 Q HA -0.122 4.218 4.340 -0.000 0.000 0.202 117 Q C 2.101 178.151 176.000 0.084 0.000 0.977 117 Q CA 2.035 57.883 55.803 0.076 0.000 0.850 117 Q CB -1.240 27.524 28.738 0.044 0.000 0.901 117 Q HN 0.401 nan 8.270 nan 0.000 0.429 118 T N 0.038 114.649 114.554 0.096 0.000 2.788 118 T HA -0.056 4.294 4.350 -0.000 0.000 0.268 118 T C 1.534 176.324 174.700 0.151 0.000 1.044 118 T CA 1.309 63.469 62.100 0.099 0.000 1.139 118 T CB -0.369 68.546 68.868 0.078 0.000 0.867 118 T HN 0.594 nan 8.240 nan 0.000 0.454 119 F N 1.706 121.689 119.950 0.055 0.000 2.074 119 F HA -0.024 4.503 4.527 -0.001 0.000 0.293 119 F C 2.278 178.107 175.800 0.049 0.000 1.116 119 F CA 0.639 58.668 58.000 0.048 0.000 1.212 119 F CB -0.800 38.231 39.000 0.051 0.000 0.998 119 F HN -0.123 nan 8.300 nan 0.000 0.471 120 V N 1.417 121.313 119.914 -0.029 0.000 2.324 120 V HA -0.377 3.742 4.120 -0.000 0.000 0.250 120 V C 2.221 178.263 176.094 -0.086 0.000 1.060 120 V CA 2.309 64.539 62.300 -0.117 0.000 1.042 120 V CB -0.920 30.907 31.823 0.006 0.000 0.650 120 V HN 0.421 nan 8.190 nan 0.000 0.450 121 N N 0.347 119.033 118.700 -0.023 0.000 2.244 121 N HA -0.111 4.629 4.740 -0.000 0.000 0.183 121 N C 2.150 177.653 175.510 -0.013 0.000 1.016 121 N CA 1.681 54.733 53.050 0.003 0.000 0.866 121 N CB -0.224 38.277 38.487 0.024 0.000 0.980 121 N HN 0.690 nan 8.380 nan 0.000 0.430 122 S N 0.502 116.167 115.700 -0.059 0.000 2.377 122 S HA 0.092 4.562 4.470 -0.000 0.000 0.223 122 S C 2.193 176.746 174.600 -0.078 0.000 1.030 122 S CA 0.793 58.971 58.200 -0.036 0.000 0.970 122 S CB -0.275 62.908 63.200 -0.029 0.000 0.830 122 S HN 0.260 nan 8.310 nan 0.000 0.473 123 A N 2.569 125.205 122.820 -0.307 0.000 1.873 123 A HA -0.009 4.311 4.320 -0.000 0.000 0.218 123 A C 2.259 179.846 177.584 0.005 0.000 1.193 123 A CA 1.743 53.618 52.037 -0.270 0.000 0.629 123 A CB -1.098 17.626 19.000 -0.460 0.000 0.826 123 A HN 0.590 nan 8.150 nan 0.000 0.447 124 I N -1.079 119.514 120.570 0.038 0.000 2.151 124 I HA -0.311 3.858 4.170 -0.000 0.000 0.243 124 I C 2.800 178.950 176.117 0.054 0.000 1.080 124 I CA 2.063 63.406 61.300 0.071 0.000 1.339 124 I CB -0.412 37.642 38.000 0.089 0.000 1.039 124 I HN 0.423 nan 8.210 nan 0.000 0.409 125 R N 0.425 120.960 120.500 0.059 0.000 2.096 125 R HA -0.213 4.126 4.340 -0.000 0.000 0.235 125 R C 2.417 178.751 176.300 0.057 0.000 1.127 125 R CA 1.622 57.748 56.100 0.044 0.000 0.968 125 R CB -0.319 30.010 30.300 0.048 0.000 0.861 125 R HN 0.219 nan 8.270 nan 0.000 0.440 126 F N 0.512 120.446 119.950 -0.026 0.000 2.146 126 F HA -0.160 4.366 4.527 -0.001 0.000 0.298 126 F C 1.764 177.620 175.800 0.093 0.000 1.096 126 F CA 1.004 59.029 58.000 0.041 0.000 1.275 126 F CB -0.032 39.022 39.000 0.089 0.000 1.008 126 F HN -0.002 nan 8.300 nan 0.000 0.480 127 L N 0.182 121.580 121.223 0.292 0.000 2.027 127 L HA -0.158 4.182 4.340 -0.000 0.000 0.206 127 L C 2.509 179.458 176.870 0.130 0.000 1.074 127 L CA 1.517 56.505 54.840 0.247 0.000 0.745 127 L CB -1.543 40.587 42.059 0.119 0.000 0.898 127 L HN 0.089 nan 8.230 nan 0.000 0.433 128 R N 0.110 120.624 120.500 0.023 0.000 2.096 128 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 128 R C 2.122 178.352 176.300 -0.116 0.000 1.127 128 R CA 0.987 57.062 56.100 -0.041 0.000 0.968 128 R CB -0.554 29.717 30.300 -0.048 0.000 0.861 128 R HN 0.415 nan 8.270 nan 0.000 0.440 129 K N 0.008 120.274 120.400 -0.225 0.000 2.009 129 K HA -0.171 4.148 4.320 -0.000 0.000 0.210 129 K C 1.085 177.395 176.600 -0.484 0.000 1.049 129 K CA 1.603 57.619 56.287 -0.451 0.000 0.929 129 K CB -0.119 31.910 32.500 -0.785 0.000 0.714 129 K HN 0.131 nan 8.250 nan 0.000 0.440 130 Y N 0.738 120.974 120.300 -0.108 0.000 2.461 130 Y HA 0.233 4.783 4.550 -0.000 0.000 0.277 130 Y C 0.287 176.065 175.900 -0.204 0.000 1.182 130 Y CA 0.035 58.065 58.100 -0.117 0.000 1.276 130 Y CB 0.348 38.765 38.460 -0.073 0.000 1.087 130 Y HN -0.005 nan 8.280 nan 0.000 0.519 131 S N -0.131 115.537 115.700 -0.053 0.000 3.812 131 S HA -0.203 4.267 4.470 -0.000 0.000 0.341 131 S C -0.358 174.137 174.600 -0.176 0.000 1.057 131 S CA -0.019 58.116 58.200 -0.108 0.000 1.015 131 S CB -2.102 61.018 63.200 -0.133 0.000 0.893 131 S HN 0.325 nan 8.310 nan 0.000 0.476 132 F N 1.370 121.304 119.950 -0.027 0.000 2.399 132 F HA 0.390 4.917 4.527 -0.001 0.000 0.328 132 F C 1.489 177.268 175.800 -0.036 0.000 1.084 132 F CA -0.779 57.209 58.000 -0.019 0.000 1.053 132 F CB 0.754 39.733 39.000 -0.035 0.000 1.209 132 F HN 0.027 nan 8.300 nan 0.000 0.502 133 D N 1.035 121.556 120.400 0.201 0.000 2.360 133 D HA 0.247 4.887 4.640 -0.000 0.000 0.210 133 D C 0.755 177.086 176.300 0.051 0.000 1.047 133 D CA 0.485 54.532 54.000 0.078 0.000 0.854 133 D CB 0.780 41.615 40.800 0.058 0.000 0.936 133 D HN 0.647 nan 8.370 nan 0.000 0.514 134 G N 0.326 109.191 108.800 0.108 0.000 2.428 134 G HA2 0.421 4.381 3.960 -0.000 0.000 0.304 134 G HA3 0.421 4.381 3.960 -0.000 0.000 0.304 134 G C -2.316 172.633 174.900 0.081 0.000 1.303 134 G CA -0.725 44.400 45.100 0.042 0.000 0.825 134 G HN 0.048 nan 8.290 nan 0.000 0.484 135 L N 0.359 121.674 121.223 0.154 0.000 2.410 135 L HA 0.782 5.122 4.340 -0.000 0.000 0.270 135 L C -1.532 175.438 176.870 0.167 0.000 0.983 135 L CA -0.593 54.343 54.840 0.160 0.000 0.822 135 L CB 2.246 44.462 42.059 0.262 0.000 1.285 135 L HN 0.592 nan 8.230 nan 0.000 0.409 136 D N 4.076 124.575 120.400 0.164 0.000 2.303 136 D HA 0.393 5.032 4.640 -0.000 0.000 0.236 136 D C -1.062 175.396 176.300 0.264 0.000 1.068 136 D CA -0.078 54.034 54.000 0.186 0.000 0.830 136 D CB 0.998 41.946 40.800 0.246 0.000 1.109 136 D HN 0.542 nan 8.370 nan 0.000 0.496 137 L N 3.728 125.104 121.223 0.254 0.000 2.278 137 L HA 0.317 4.657 4.340 -0.000 0.000 0.287 137 L C -0.100 176.945 176.870 0.293 0.000 1.072 137 L CA -0.230 54.790 54.840 0.301 0.000 0.819 137 L CB 0.945 43.215 42.059 0.353 0.000 1.176 137 L HN 0.404 nan 8.230 nan 0.000 0.435 138 D N 2.112 122.670 120.400 0.262 0.000 2.892 138 D HA 0.051 4.691 4.640 -0.000 0.000 0.291 138 D C -0.397 175.935 176.300 0.054 0.000 1.341 138 D CA -0.285 53.837 54.000 0.202 0.000 0.844 138 D CB 0.243 41.239 40.800 0.327 0.000 1.093 138 D HN 0.304 nan 8.370 nan 0.000 0.480 139 W N 2.150 123.253 121.300 -0.328 0.000 2.381 139 W HA 0.177 4.837 4.660 -0.001 0.000 0.321 139 W C -0.313 175.953 176.519 -0.422 0.000 1.407 139 W CA -0.142 56.817 57.345 -0.644 0.000 1.274 139 W CB 0.095 28.889 29.460 -1.110 0.000 1.310 139 W HN 0.063 nan 8.180 nan 0.000 0.551 140 E N 6.064 126.257 120.200 -0.012 0.000 2.346 140 E HA 0.189 4.539 4.350 -0.000 0.000 0.239 140 E C -1.523 174.791 176.600 -0.476 0.000 0.943 140 E CA -0.420 55.530 56.400 -0.750 0.000 0.751 140 E CB 0.981 30.110 29.700 -0.951 0.000 1.241 140 E HN 0.212 nan 8.360 nan 0.000 0.423 141 Y N 1.493 121.690 120.300 -0.171 0.000 2.524 141 Y HA 0.337 4.887 4.550 -0.000 0.000 0.347 141 Y C -2.325 173.071 175.900 -0.839 0.000 1.005 141 Y CA -2.697 55.123 58.100 -0.467 0.000 1.025 141 Y CB 1.653 39.761 38.460 -0.586 0.000 1.275 141 Y HN 0.314 nan 8.280 nan 0.000 0.460 142 P HA 0.157 nan 4.420 nan 0.000 0.275 142 P C 0.504 177.308 177.300 -0.828 0.000 1.227 142 P CA 0.658 62.766 63.100 -1.653 0.000 0.781 142 P CB 1.087 31.437 31.700 -2.251 0.000 0.906 143 G N 1.118 109.608 108.800 -0.517 0.000 2.198 143 G HA2 -0.190 3.770 3.960 -0.000 0.000 0.260 143 G HA3 -0.190 3.770 3.960 -0.000 0.000 0.260 143 G C 0.127 174.925 174.900 -0.171 0.000 1.025 143 G CA 0.355 45.285 45.100 -0.283 0.000 0.769 143 G HN 0.713 nan 8.290 nan 0.000 0.507 144 S N -1.650 113.960 115.700 -0.150 0.000 2.752 144 S HA 0.530 5.000 4.470 -0.000 0.000 0.284 144 S C 0.172 174.760 174.600 -0.020 0.000 1.189 144 S CA -0.173 58.002 58.200 -0.041 0.000 0.835 144 S CB 0.960 64.122 63.200 -0.063 0.000 1.192 144 S HN 0.665 nan 8.310 nan 0.000 0.506 145 Q N 0.435 120.264 119.800 0.048 0.000 2.368 145 Q HA -0.263 4.076 4.340 -0.000 0.000 0.352 145 Q C 0.892 176.875 176.000 -0.029 0.000 1.301 145 Q CA 0.880 56.698 55.803 0.025 0.000 1.059 145 Q CB -1.943 26.794 28.738 -0.000 0.000 1.281 145 Q HN 1.275 nan 8.270 nan 0.000 0.406 146 G N -1.154 107.639 108.800 -0.013 0.000 2.238 146 G HA2 -0.284 3.675 3.960 -0.000 0.000 0.217 146 G HA3 -0.284 3.675 3.960 -0.000 0.000 0.217 146 G C 0.102 175.003 174.900 0.002 0.000 0.996 146 G CA -0.023 45.063 45.100 -0.023 0.000 0.632 146 G HN 0.592 nan 8.290 nan 0.000 0.503 147 S N 3.497 119.208 115.700 0.019 0.000 2.499 147 S HA 0.597 5.067 4.470 -0.000 0.000 0.275 147 S C -1.552 173.047 174.600 -0.001 0.000 1.257 147 S CA -0.794 57.438 58.200 0.054 0.000 1.050 147 S CB 1.155 64.395 63.200 0.066 0.000 0.937 147 S HN 0.370 nan 8.310 nan 0.000 0.490 148 P HA 0.081 nan 4.420 nan 0.000 0.268 148 P C 0.478 177.757 177.300 -0.035 0.000 1.208 148 P CA -0.041 63.057 63.100 -0.003 0.000 0.777 148 P CB 0.538 32.247 31.700 0.015 0.000 0.875 149 A N 2.737 125.535 122.820 -0.036 0.000 2.024 149 A HA -0.151 4.169 4.320 -0.000 0.000 0.220 149 A C 1.947 179.497 177.584 -0.057 0.000 1.164 149 A CA 2.144 54.149 52.037 -0.053 0.000 0.643 149 A CB -1.653 17.325 19.000 -0.037 0.000 0.806 149 A HN 0.520 nan 8.150 nan 0.000 0.451 150 V N -2.678 117.217 119.914 -0.031 0.000 3.141 150 V HA -0.106 4.013 4.120 -0.000 0.000 0.265 150 V C 1.318 177.398 176.094 -0.023 0.000 1.126 150 V CA 1.884 64.173 62.300 -0.019 0.000 1.141 150 V CB -0.727 31.099 31.823 0.005 0.000 0.743 150 V HN 0.325 nan 8.190 nan 0.000 0.492 151 D N 0.763 121.133 120.400 -0.049 0.000 2.350 151 D HA -0.078 4.562 4.640 -0.000 0.000 0.216 151 D C 1.943 178.121 176.300 -0.203 0.000 0.968 151 D CA 1.078 55.026 54.000 -0.086 0.000 0.894 151 D CB 0.008 40.726 40.800 -0.137 0.000 0.909 151 D HN 0.598 nan 8.370 nan 0.000 0.520 152 K N 0.902 121.187 120.400 -0.191 0.000 1.973 152 K HA -0.195 4.124 4.320 -0.000 0.000 0.212 152 K C 2.259 178.821 176.600 -0.063 0.000 1.047 152 K CA 1.889 58.058 56.287 -0.196 0.000 0.937 152 K CB 0.018 32.422 32.500 -0.159 0.000 0.721 152 K HN 0.067 nan 8.250 nan 0.000 0.440 153 E N 0.393 120.570 120.200 -0.037 0.000 2.110 153 E HA -0.222 4.128 4.350 -0.000 0.000 0.193 153 E C 2.102 178.711 176.600 0.016 0.000 0.988 153 E CA 2.012 58.408 56.400 -0.006 0.000 0.804 153 E CB -1.085 28.611 29.700 -0.008 0.000 0.745 153 E HN 0.596 nan 8.360 nan 0.000 0.458 154 R N -0.406 120.114 120.500 0.033 0.000 2.115 154 R HA 0.122 4.462 4.340 -0.000 0.000 0.230 154 R C 2.218 178.587 176.300 0.115 0.000 1.111 154 R CA 1.544 57.689 56.100 0.076 0.000 0.976 154 R CB -1.356 29.012 30.300 0.114 0.000 0.870 154 R HN 0.611 nan 8.270 nan 0.000 0.445 155 F N 1.973 121.874 119.950 -0.081 0.000 2.069 155 F HA -0.223 4.303 4.527 -0.000 0.000 0.298 155 F C 2.737 178.521 175.800 -0.026 0.000 1.113 155 F CA 2.799 60.743 58.000 -0.093 0.000 1.214 155 F CB -0.879 37.915 39.000 -0.343 0.000 0.978 155 F HN 0.297 nan 8.300 nan 0.000 0.474 156 T N -1.669 112.797 114.554 -0.147 0.000 2.803 156 T HA -0.201 4.149 4.350 -0.000 0.000 0.269 156 T C 1.887 176.492 174.700 -0.159 0.000 1.052 156 T CA 2.326 64.299 62.100 -0.211 0.000 1.136 156 T CB -0.977 67.856 68.868 -0.058 0.000 0.864 156 T HN 0.402 nan 8.240 nan 0.000 0.467 157 T N 2.249 116.757 114.554 -0.077 0.000 2.708 157 T HA 0.002 4.352 4.350 -0.000 0.000 0.266 157 T C 1.781 176.446 174.700 -0.059 0.000 1.037 157 T CA 1.312 63.386 62.100 -0.043 0.000 1.146 157 T CB -0.612 68.257 68.868 0.002 0.000 0.865 157 T HN 0.298 nan 8.240 nan 0.000 0.435 158 L N 1.672 122.864 121.223 -0.052 0.000 1.989 158 L HA -0.094 4.246 4.340 -0.000 0.000 0.211 158 L C 2.491 179.284 176.870 -0.128 0.000 1.071 158 L CA 1.600 56.423 54.840 -0.028 0.000 0.749 158 L CB -1.019 41.072 42.059 0.054 0.000 0.890 158 L HN 0.084 nan 8.230 nan 0.000 0.431 159 V N -0.113 119.633 119.914 -0.281 0.000 2.250 159 V HA -0.433 3.687 4.120 -0.000 0.000 0.250 159 V C 2.632 178.613 176.094 -0.189 0.000 1.060 159 V CA 2.359 64.489 62.300 -0.284 0.000 1.030 159 V CB -0.857 30.740 31.823 -0.377 0.000 0.643 159 V HN 0.735 nan 8.190 nan 0.000 0.445 160 Q N -0.355 119.357 119.800 -0.146 0.000 2.014 160 Q HA -0.287 4.053 4.340 -0.000 0.000 0.207 160 Q C 2.082 178.020 176.000 -0.104 0.000 0.993 160 Q CA 2.392 58.136 55.803 -0.098 0.000 0.850 160 Q CB -0.290 28.409 28.738 -0.065 0.000 0.916 160 Q HN 0.662 nan 8.270 nan 0.000 0.417 161 D N 0.309 120.654 120.400 -0.090 0.000 2.133 161 D HA -0.179 4.461 4.640 -0.000 0.000 0.195 161 D C 2.087 178.285 176.300 -0.169 0.000 0.997 161 D CA 1.163 55.114 54.000 -0.082 0.000 0.840 161 D CB -0.161 40.620 40.800 -0.031 0.000 0.947 161 D HN 0.334 nan 8.370 nan 0.000 0.452 162 L N 0.806 121.865 121.223 -0.272 0.000 2.005 162 L HA -0.155 4.185 4.340 -0.000 0.000 0.207 162 L C 2.695 179.076 176.870 -0.816 0.000 1.072 162 L CA 1.157 55.611 54.840 -0.644 0.000 0.744 162 L CB -0.450 41.227 42.059 -0.638 0.000 0.895 162 L HN -0.035 nan 8.230 nan 0.000 0.433 163 A N 0.270 122.839 122.820 -0.419 0.000 1.917 163 A HA -0.275 4.044 4.320 -0.000 0.000 0.219 163 A C 2.013 179.569 177.584 -0.048 0.000 1.182 163 A CA 2.368 54.308 52.037 -0.162 0.000 0.633 163 A CB -0.962 18.003 19.000 -0.059 0.000 0.819 163 A HN 0.558 nan 8.150 nan 0.000 0.448 164 N N -0.164 118.494 118.700 -0.071 0.000 2.084 164 N HA -0.095 4.645 4.740 -0.000 0.000 0.190 164 N C 1.976 177.502 175.510 0.028 0.000 1.030 164 N CA 1.031 54.075 53.050 -0.009 0.000 0.849 164 N CB -0.241 38.234 38.487 -0.020 0.000 1.012 164 N HN 0.511 nan 8.380 nan 0.000 0.423 165 A N 0.869 123.686 122.820 -0.005 0.000 1.969 165 A HA -0.075 4.245 4.320 -0.000 0.000 0.218 165 A C 1.638 179.375 177.584 0.255 0.000 1.169 165 A CA 0.901 52.988 52.037 0.083 0.000 0.635 165 A CB -0.535 18.495 19.000 0.050 0.000 0.810 165 A HN 0.175 nan 8.150 nan 0.000 0.445 166 F N 0.159 120.121 119.950 0.020 0.000 2.171 166 F HA -0.145 4.382 4.527 -0.000 0.000 0.300 166 F C 2.508 178.323 175.800 0.025 0.000 1.090 166 F CA 1.379 59.394 58.000 0.024 0.000 1.293 166 F CB -1.129 37.889 39.000 0.031 0.000 1.013 166 F HN 0.393 nan 8.300 nan 0.000 0.486 167 Q N 0.797 120.730 119.800 0.222 0.000 1.993 167 Q HA -0.204 4.136 4.340 -0.000 0.000 0.202 167 Q C 2.416 178.473 176.000 0.095 0.000 0.984 167 Q CA 2.953 58.832 55.803 0.127 0.000 0.837 167 Q CB -0.892 27.900 28.738 0.090 0.000 0.902 167 Q HN 0.455 nan 8.270 nan 0.000 0.423 168 Q N 1.053 120.906 119.800 0.089 0.000 2.084 168 Q HA -0.169 4.171 4.340 -0.000 0.000 0.202 168 Q C 1.951 177.989 176.000 0.063 0.000 0.978 168 Q CA 1.799 57.642 55.803 0.065 0.000 0.844 168 Q CB -1.203 27.569 28.738 0.057 0.000 0.898 168 Q HN 0.657 nan 8.270 nan 0.000 0.426 169 E N 0.139 120.391 120.200 0.086 0.000 2.160 169 E HA -0.154 4.196 4.350 -0.000 0.000 0.195 169 E C 2.185 178.806 176.600 0.035 0.000 0.991 169 E CA 1.261 57.698 56.400 0.062 0.000 0.810 169 E CB -0.391 29.358 29.700 0.082 0.000 0.742 169 E HN 0.655 nan 8.360 nan 0.000 0.466 170 A N 0.746 123.591 122.820 0.042 0.000 1.892 170 A HA -0.281 4.039 4.320 -0.000 0.000 0.218 170 A C 2.134 179.729 177.584 0.018 0.000 1.188 170 A CA 2.043 54.095 52.037 0.024 0.000 0.631 170 A CB -0.523 18.499 19.000 0.036 0.000 0.822 170 A HN 0.273 nan 8.150 nan 0.000 0.447 171 Q N -0.553 119.261 119.800 0.024 0.000 1.965 171 Q HA -0.093 4.247 4.340 -0.000 0.000 0.200 171 Q C 2.422 178.429 176.000 0.012 0.000 0.981 171 Q CA 2.413 58.226 55.803 0.017 0.000 0.834 171 Q CB -1.071 27.679 28.738 0.019 0.000 0.900 171 Q HN 0.826 nan 8.270 nan 0.000 0.426 172 T N -1.039 113.524 114.554 0.014 0.000 2.685 172 T HA -0.240 4.110 4.350 -0.000 0.000 0.268 172 T C 1.987 176.689 174.700 0.003 0.000 1.034 172 T CA 1.961 64.067 62.100 0.010 0.000 1.149 172 T CB -0.584 68.292 68.868 0.014 0.000 0.860 172 T HN 0.377 nan 8.240 nan 0.000 0.449 173 S N 0.529 116.229 115.700 0.001 0.000 2.425 173 S HA 0.375 4.845 4.470 -0.000 0.000 0.225 173 S C 2.083 176.676 174.600 -0.011 0.000 1.024 173 S CA 0.735 58.930 58.200 -0.008 0.000 0.951 173 S CB -0.840 62.352 63.200 -0.014 0.000 0.796 173 S HN 1.637 nan 8.310 nan 0.000 0.498 174 G N 1.134 109.929 108.800 -0.008 0.000 2.137 174 G HA2 -0.222 3.738 3.960 -0.000 0.000 0.237 174 G HA3 -0.222 3.738 3.960 -0.000 0.000 0.237 174 G C -0.124 174.768 174.900 -0.015 0.000 1.002 174 G CA 0.430 45.524 45.100 -0.009 0.000 0.702 174 G HN 0.640 nan 8.290 nan 0.000 0.515 175 K N -0.206 120.183 120.400 -0.018 0.000 2.352 175 K HA 0.510 4.830 4.320 -0.000 0.000 0.240 175 K C 0.040 176.627 176.600 -0.023 0.000 1.017 175 K CA -0.960 55.312 56.287 -0.025 0.000 0.851 175 K CB 1.657 34.136 32.500 -0.035 0.000 1.261 175 K HN 0.255 nan 8.250 nan 0.000 0.451 176 E N 1.720 121.905 120.200 -0.026 0.000 2.384 176 E HA 0.001 4.351 4.350 -0.000 0.000 0.266 176 E C -0.269 176.312 176.600 -0.031 0.000 1.012 176 E CA -0.080 56.308 56.400 -0.019 0.000 0.901 176 E CB 0.780 30.470 29.700 -0.016 0.000 0.967 176 E HN 0.238 nan 8.360 nan 0.000 0.435 177 R N 3.275 123.768 120.500 -0.012 0.000 2.494 177 R HA -0.082 4.258 4.340 -0.000 0.000 0.291 177 R C -0.283 175.967 176.300 -0.084 0.000 0.953 177 R CA -0.089 56.000 56.100 -0.020 0.000 1.098 177 R CB 0.133 30.459 30.300 0.042 0.000 0.911 177 R HN 0.472 nan 8.270 nan 0.000 0.407 178 L N 5.015 126.081 121.223 -0.263 0.000 2.490 178 L HA -0.039 4.301 4.340 -0.000 0.000 0.274 178 L C 0.196 176.897 176.870 -0.282 0.000 1.201 178 L CA -0.257 54.300 54.840 -0.472 0.000 0.869 178 L CB 0.183 41.546 42.059 -1.160 0.000 1.123 178 L HN 0.483 nan 8.230 nan 0.000 0.484 179 L N 3.758 124.939 121.223 -0.071 0.000 2.418 179 L HA 0.390 4.730 4.340 -0.000 0.000 0.265 179 L C -0.206 176.800 176.870 0.227 0.000 1.143 179 L CA 0.101 55.029 54.840 0.146 0.000 0.809 179 L CB 1.221 43.431 42.059 0.253 0.000 1.124 179 L HN 0.364 nan 8.230 nan 0.000 0.456 180 L N 2.017 123.383 121.223 0.239 0.000 2.476 180 L HA 0.687 5.026 4.340 -0.000 0.000 0.269 180 L C -0.484 176.337 176.870 -0.081 0.000 0.965 180 L CA 0.118 55.075 54.840 0.195 0.000 0.845 180 L CB 1.696 43.917 42.059 0.269 0.000 1.259 180 L HN 0.745 nan 8.230 nan 0.000 0.403 181 S N 3.337 118.919 115.700 -0.197 0.000 2.697 181 S HA 1.050 5.520 4.470 -0.000 0.000 0.289 181 S C -0.870 173.656 174.600 -0.124 0.000 1.149 181 S CA -0.256 57.677 58.200 -0.444 0.000 0.850 181 S CB 1.861 64.355 63.200 -1.177 0.000 1.151 181 S HN 1.300 nan 8.310 nan 0.000 0.491 182 A N 0.074 122.847 122.820 -0.078 0.000 2.486 182 A HA 0.897 5.217 4.320 -0.000 0.000 0.300 182 A C -0.444 177.184 177.584 0.073 0.000 1.048 182 A CA -0.516 51.584 52.037 0.105 0.000 0.696 182 A CB 1.240 20.387 19.000 0.244 0.000 1.278 182 A HN 1.791 nan 8.150 nan 0.000 0.405 183 A N 1.004 123.919 122.820 0.158 0.000 2.301 183 A HA 0.702 5.021 4.320 -0.000 0.000 0.298 183 A C 0.107 177.690 177.584 -0.002 0.000 1.185 183 A CA 0.032 52.140 52.037 0.118 0.000 0.830 183 A CB 0.177 19.312 19.000 0.225 0.000 1.112 183 A HN 2.181 nan 8.150 nan 0.000 0.508 184 V N 0.080 119.866 119.914 -0.213 0.000 2.962 184 V HA 0.822 4.942 4.120 -0.000 0.000 0.313 184 V C -2.872 173.031 176.094 -0.318 0.000 1.099 184 V CA -2.474 59.591 62.300 -0.392 0.000 0.971 184 V CB 1.958 33.231 31.823 -0.915 0.000 1.028 184 V HN 0.746 nan 8.190 nan 0.000 0.430 185 P HA 0.363 nan 4.420 nan 0.000 0.276 185 P C 0.206 177.504 177.300 -0.003 0.000 1.244 185 P CA 0.049 63.055 63.100 -0.156 0.000 0.801 185 P CB 1.879 33.362 31.700 -0.361 0.000 1.006 186 A N 1.843 124.663 122.820 -0.000 0.000 2.063 186 A HA 0.301 4.621 4.320 -0.000 0.000 0.211 186 A C 1.344 179.056 177.584 0.213 0.000 1.177 186 A CA 0.761 52.893 52.037 0.158 0.000 0.759 186 A CB -0.863 18.206 19.000 0.115 0.000 0.857 186 A HN 0.635 nan 8.150 nan 0.000 0.468 187 G N -0.894 107.976 108.800 0.116 0.000 2.467 187 G HA2 0.340 4.300 3.960 -0.000 0.000 0.257 187 G HA3 0.340 4.300 3.960 -0.000 0.000 0.257 187 G C 0.484 175.395 174.900 0.018 0.000 1.227 187 G CA 0.252 45.389 45.100 0.061 0.000 0.835 187 G HN 0.246 nan 8.290 nan 0.000 0.556 188 Q N 1.288 121.084 119.800 -0.007 0.000 2.112 188 Q HA -0.160 4.180 4.340 -0.000 0.000 0.206 188 Q C 2.449 178.421 176.000 -0.048 0.000 0.987 188 Q CA 2.784 58.565 55.803 -0.037 0.000 0.858 188 Q CB -0.706 28.009 28.738 -0.039 0.000 0.905 188 Q HN 0.605 nan 8.270 nan 0.000 0.420 189 T N -0.200 114.300 114.554 -0.091 0.000 2.580 189 T HA -0.217 4.133 4.350 -0.000 0.000 0.265 189 T C 1.485 176.171 174.700 -0.023 0.000 1.063 189 T CA 1.867 63.898 62.100 -0.115 0.000 1.170 189 T CB -0.755 67.962 68.868 -0.251 0.000 0.863 189 T HN 0.470 nan 8.240 nan 0.000 0.418 190 Y N 0.721 120.968 120.300 -0.088 0.000 2.256 190 Y HA -0.171 4.379 4.550 -0.001 0.000 0.288 190 Y C 2.622 178.525 175.900 0.006 0.000 1.155 190 Y CA 0.074 58.098 58.100 -0.126 0.000 1.203 190 Y CB -0.303 37.958 38.460 -0.332 0.000 0.980 190 Y HN 0.055 nan 8.280 nan 0.000 0.530 191 V N 0.064 120.089 119.914 0.184 0.000 2.244 191 V HA -0.306 3.814 4.120 -0.000 0.000 0.244 191 V C 1.784 177.944 176.094 0.109 0.000 1.042 191 V CA 2.035 64.449 62.300 0.191 0.000 1.006 191 V CB -0.666 31.096 31.823 -0.101 0.000 0.641 191 V HN 0.386 nan 8.190 nan 0.000 0.446 192 D N 0.898 121.301 120.400 0.006 0.000 2.116 192 D HA -0.202 4.438 4.640 -0.000 0.000 0.193 192 D C 2.215 178.493 176.300 -0.036 0.000 0.998 192 D CA 1.870 55.853 54.000 -0.028 0.000 0.836 192 D CB -0.448 40.330 40.800 -0.037 0.000 0.951 192 D HN 0.462 nan 8.370 nan 0.000 0.449 193 A N 0.250 123.059 122.820 -0.018 0.000 1.940 193 A HA -0.004 4.316 4.320 -0.000 0.000 0.219 193 A C 2.138 179.615 177.584 -0.179 0.000 1.176 193 A CA 2.157 54.159 52.037 -0.059 0.000 0.631 193 A CB -0.392 18.614 19.000 0.011 0.000 0.814 193 A HN 0.367 nan 8.150 nan 0.000 0.446 194 G N -3.380 105.253 108.800 -0.279 0.000 4.000 194 G HA2 0.426 4.386 3.960 -0.000 0.000 0.260 194 G HA3 0.426 4.386 3.960 -0.000 0.000 0.260 194 G C -0.439 173.996 174.900 -0.776 0.000 1.047 194 G CA -0.177 44.558 45.100 -0.607 0.000 0.860 194 G HN 0.272 nan 8.290 nan 0.000 0.464 195 Y N 1.269 121.515 120.300 -0.090 0.000 2.338 195 Y HA 0.395 4.945 4.550 -0.000 0.000 0.328 195 Y C 0.155 176.034 175.900 -0.035 0.000 0.965 195 Y CA -0.958 57.144 58.100 0.003 0.000 1.208 195 Y CB 1.503 39.989 38.460 0.044 0.000 1.132 195 Y HN 0.021 nan 8.280 nan 0.000 0.469 196 E N 3.710 123.986 120.200 0.127 0.000 2.148 196 E HA 0.088 4.438 4.350 -0.000 0.000 0.308 196 E C 0.850 177.493 176.600 0.073 0.000 1.278 196 E CA -0.098 56.335 56.400 0.055 0.000 1.368 196 E CB 0.282 30.006 29.700 0.040 0.000 1.229 196 E HN 0.612 nan 8.360 nan 0.000 0.494 197 V N 1.788 121.715 119.914 0.021 0.000 2.289 197 V HA -0.452 3.668 4.120 -0.000 0.000 0.243 197 V C 2.159 178.291 176.094 0.062 0.000 1.004 197 V CA 2.351 64.650 62.300 -0.002 0.000 1.049 197 V CB -0.479 31.208 31.823 -0.227 0.000 0.692 197 V HN 0.657 nan 8.190 nan 0.000 0.500 198 D N -0.349 120.062 120.400 0.018 0.000 2.263 198 D HA -0.265 4.375 4.640 -0.000 0.000 0.193 198 D C 2.090 178.418 176.300 0.047 0.000 1.013 198 D CA 2.358 56.379 54.000 0.035 0.000 0.892 198 D CB -0.052 40.755 40.800 0.011 0.000 0.909 198 D HN 0.682 nan 8.370 nan 0.000 0.449 199 K N 0.253 120.679 120.400 0.043 0.000 2.044 199 K HA -0.047 4.272 4.320 -0.000 0.000 0.204 199 K C 2.602 179.230 176.600 0.046 0.000 1.049 199 K CA 1.033 57.342 56.287 0.036 0.000 0.945 199 K CB -0.478 32.035 32.500 0.022 0.000 0.724 199 K HN 0.396 nan 8.250 nan 0.000 0.440 200 I N -0.611 120.004 120.570 0.075 0.000 2.394 200 I HA -0.053 4.117 4.170 -0.000 0.000 0.251 200 I C 2.387 178.561 176.117 0.095 0.000 1.136 200 I CA 1.185 62.528 61.300 0.071 0.000 1.425 200 I CB -0.615 37.470 38.000 0.141 0.000 1.079 200 I HN -0.077 nan 8.210 nan 0.000 0.425 201 A N 0.938 123.837 122.820 0.132 0.000 2.131 201 A HA -0.199 4.121 4.320 -0.000 0.000 0.220 201 A C 2.280 179.920 177.584 0.094 0.000 1.158 201 A CA 1.660 53.778 52.037 0.135 0.000 0.665 201 A CB -0.616 18.476 19.000 0.153 0.000 0.795 201 A HN 0.684 nan 8.150 nan 0.000 0.460 202 Q N -0.739 119.103 119.800 0.069 0.000 2.137 202 Q HA -0.036 4.304 4.340 -0.000 0.000 0.198 202 Q C 1.250 177.281 176.000 0.051 0.000 0.960 202 Q CA 1.117 56.953 55.803 0.055 0.000 0.847 202 Q CB -0.006 28.757 28.738 0.041 0.000 0.915 202 Q HN 0.604 nan 8.270 nan 0.000 0.448 203 N N -0.159 118.563 118.700 0.037 0.000 2.373 203 N HA 0.074 4.814 4.740 -0.000 0.000 0.181 203 N C -0.179 175.356 175.510 0.042 0.000 1.082 203 N CA 0.352 53.419 53.050 0.028 0.000 0.885 203 N CB 0.528 39.007 38.487 -0.013 0.000 0.977 203 N HN 0.162 nan 8.380 nan 0.000 0.462 204 L N 1.636 122.888 121.223 0.048 0.000 2.281 204 L HA 0.164 4.504 4.340 -0.000 0.000 0.285 204 L C 1.049 177.972 176.870 0.088 0.000 1.074 204 L CA -0.340 54.526 54.840 0.043 0.000 0.817 204 L CB 1.107 43.185 42.059 0.032 0.000 1.168 204 L HN -0.102 nan 8.230 nan 0.000 0.434 205 D N 3.302 123.773 120.400 0.117 0.000 2.218 205 D HA -0.072 4.568 4.640 -0.000 0.000 0.204 205 D C -0.129 176.428 176.300 0.429 0.000 0.976 205 D CA 1.531 55.690 54.000 0.265 0.000 0.853 205 D CB 0.207 41.224 40.800 0.361 0.000 0.939 205 D HN 0.356 nan 8.370 nan 0.000 0.481 206 F N -2.499 117.478 119.950 0.045 0.000 2.744 206 F HA 0.436 4.962 4.527 -0.001 0.000 0.311 206 F C -1.533 174.274 175.800 0.012 0.000 1.144 206 F CA -1.463 56.543 58.000 0.010 0.000 0.938 206 F CB 1.015 39.988 39.000 -0.046 0.000 1.292 206 F HN -0.413 nan 8.300 nan 0.000 0.444 207 V N 2.035 122.020 119.914 0.118 0.000 2.376 207 V HA 0.360 4.479 4.120 -0.000 0.000 0.287 207 V C -0.858 175.211 176.094 -0.042 0.000 1.015 207 V CA -0.901 61.369 62.300 -0.051 0.000 0.834 207 V CB 1.426 33.178 31.823 -0.118 0.000 1.001 207 V HN 0.774 nan 8.190 nan 0.000 0.428 208 N N 4.462 123.147 118.700 -0.025 0.000 2.482 208 N HA 0.322 5.062 4.740 -0.000 0.000 0.242 208 N C -0.522 174.919 175.510 -0.116 0.000 1.100 208 N CA -0.517 52.565 53.050 0.053 0.000 0.946 208 N CB 0.887 39.526 38.487 0.254 0.000 1.227 208 N HN 0.529 nan 8.380 nan 0.000 0.508 209 L N 3.167 124.258 121.223 -0.221 0.000 2.433 209 L HA 0.169 4.509 4.340 -0.000 0.000 0.275 209 L C 0.020 176.685 176.870 -0.341 0.000 1.128 209 L CA 0.253 54.862 54.840 -0.385 0.000 0.875 209 L CB 0.250 42.093 42.059 -0.360 0.000 1.171 209 L HN 0.546 nan 8.230 nan 0.000 0.463 210 M N 6.414 125.747 119.600 -0.446 0.000 3.254 210 M HA 0.186 4.665 4.480 -0.000 0.000 0.257 210 M C 0.732 176.428 176.300 -1.007 0.000 1.490 210 M CA 0.004 54.798 55.300 -0.844 0.000 1.620 210 M CB -0.100 32.164 32.600 -0.560 0.000 1.157 210 M HN 0.773 nan 8.290 nan 0.000 0.541 211 A N 3.598 125.954 122.820 -0.773 0.000 3.077 211 A HA 0.399 4.719 4.320 -0.000 0.000 0.255 211 A C -0.691 176.717 177.584 -0.294 0.000 1.728 211 A CA -0.165 51.662 52.037 -0.350 0.000 1.383 211 A CB -0.936 18.057 19.000 -0.012 0.000 1.097 211 A HN 0.744 nan 8.150 nan 0.000 0.634 212 Y N -4.382 115.662 120.300 -0.427 0.000 2.871 212 Y HA 0.521 5.071 4.550 -0.000 0.000 0.331 212 Y C -0.340 175.313 175.900 -0.411 0.000 1.378 212 Y CA -1.921 56.012 58.100 -0.279 0.000 1.079 212 Y CB 0.132 38.563 38.460 -0.049 0.000 1.441 212 Y HN 0.195 nan 8.280 nan 0.000 0.446 213 D N -0.377 120.168 120.400 0.242 0.000 2.800 213 D HA -0.188 4.452 4.640 -0.000 0.000 0.232 213 D C 0.162 176.626 176.300 0.273 0.000 1.137 213 D CA 1.032 55.243 54.000 0.352 0.000 0.718 213 D CB -1.439 39.528 40.800 0.279 0.000 1.084 213 D HN 0.536 nan 8.370 nan 0.000 0.432 214 F N -0.077 120.045 119.950 0.287 0.000 2.187 214 F HA 0.017 4.544 4.527 -0.001 0.000 0.295 214 F C 1.670 177.469 175.800 -0.002 0.000 1.091 214 F CA 0.938 58.985 58.000 0.079 0.000 1.308 214 F CB 0.194 39.150 39.000 -0.073 0.000 1.030 214 F HN 0.112 nan 8.300 nan 0.000 0.487 215 H N -1.242 118.104 119.070 0.460 0.000 2.690 215 H HA 0.676 5.232 4.556 -0.000 0.000 0.368 215 H C 0.147 175.302 175.328 -0.288 0.000 1.150 215 H CA -0.502 55.650 56.048 0.174 0.000 1.174 215 H CB 1.516 31.405 29.762 0.212 0.000 1.684 215 H HN 0.132 nan 8.280 nan 0.000 0.538 216 G N -0.519 107.666 108.800 -1.026 0.000 2.608 216 G HA2 0.220 4.180 3.960 -0.000 0.000 0.291 216 G HA3 0.220 4.180 3.960 -0.000 0.000 0.291 216 G C 0.477 174.532 174.900 -1.409 0.000 1.425 216 G CA -0.139 43.915 45.100 -1.745 0.000 0.787 216 G HN 0.476 nan 8.290 nan 0.000 0.484 217 S N -1.297 113.726 115.700 -1.128 0.000 2.528 217 S HA -0.148 4.321 4.470 -0.000 0.000 0.244 217 S C 1.606 176.089 174.600 -0.195 0.000 0.982 217 S CA 1.834 59.624 58.200 -0.683 0.000 0.953 217 S CB -0.638 62.309 63.200 -0.423 0.000 0.754 217 S HN 1.006 nan 8.310 nan 0.000 0.529 218 W N 1.449 122.754 121.300 0.008 0.000 3.077 218 W HA 0.490 5.150 4.660 -0.000 0.000 0.245 218 W C 0.096 176.683 176.519 0.113 0.000 1.316 218 W CA -0.848 56.531 57.345 0.057 0.000 1.537 218 W CB -0.548 28.941 29.460 0.048 0.000 1.131 218 W HN 0.156 nan 8.180 nan 0.000 0.695 219 E N 0.239 120.405 120.200 -0.056 0.000 2.212 219 E HA 0.379 4.729 4.350 -0.000 0.000 0.268 219 E C 0.899 177.560 176.600 0.102 0.000 0.902 219 E CA -0.327 56.112 56.400 0.066 0.000 0.779 219 E CB 1.575 31.283 29.700 0.013 0.000 1.172 219 E HN -0.015 nan 8.360 nan 0.000 0.409 220 K N 1.140 121.574 120.400 0.057 0.000 2.551 220 K HA 0.154 4.474 4.320 -0.000 0.000 0.192 220 K C 0.238 176.791 176.600 -0.079 0.000 1.027 220 K CA 0.466 56.762 56.287 0.016 0.000 1.059 220 K CB 0.087 32.593 32.500 0.010 0.000 0.831 220 K HN 0.219 nan 8.250 nan 0.000 0.508 221 V N 1.636 121.458 119.914 -0.153 0.000 2.760 221 V HA 0.304 4.424 4.120 -0.000 0.000 0.309 221 V C 0.203 175.840 176.094 -0.762 0.000 1.077 221 V CA -0.667 61.407 62.300 -0.375 0.000 0.910 221 V CB 2.045 33.688 31.823 -0.300 0.000 1.008 221 V HN 0.532 nan 8.190 nan 0.000 0.424 222 T N 1.613 115.444 114.554 -1.206 0.000 2.940 222 T HA 0.587 4.936 4.350 -0.000 0.000 0.309 222 T C 0.196 174.129 174.700 -1.279 0.000 1.056 222 T CA 0.319 61.200 62.100 -2.033 0.000 1.137 222 T CB 1.089 68.483 68.868 -2.457 0.000 0.976 222 T HN 1.342 nan 8.240 nan 0.000 0.547 223 G N 0.717 108.990 108.800 -0.879 0.000 2.673 223 G HA2 0.412 4.372 3.960 -0.000 0.000 0.292 223 G HA3 0.412 4.372 3.960 -0.000 0.000 0.292 223 G C -1.622 173.456 174.900 0.297 0.000 1.450 223 G CA -0.842 44.015 45.100 -0.405 0.000 0.837 223 G HN 0.961 nan 8.290 nan 0.000 0.505 224 H N 0.833 120.099 119.070 0.327 0.000 2.580 224 H HA 0.170 4.726 4.556 -0.000 0.000 0.322 224 H C 1.409 177.004 175.328 0.445 0.000 1.082 224 H CA -0.032 56.255 56.048 0.398 0.000 1.383 224 H CB 1.768 31.692 29.762 0.270 0.000 1.450 224 H HN 0.618 nan 8.280 nan 0.000 0.505 225 N N 2.408 121.208 118.700 0.166 0.000 2.104 225 N HA -0.181 4.559 4.740 -0.000 0.000 0.190 225 N C 0.016 175.807 175.510 0.467 0.000 1.024 225 N CA 1.460 54.668 53.050 0.263 0.000 0.853 225 N CB 0.215 38.727 38.487 0.042 0.000 1.008 225 N HN 0.265 nan 8.380 nan 0.000 0.424 226 S N 0.133 116.213 115.700 0.633 0.000 2.204 226 S HA 0.360 4.829 4.470 -0.000 0.000 0.147 226 S C -2.901 171.888 174.600 0.316 0.000 1.711 226 S CA -1.294 57.239 58.200 0.555 0.000 1.274 226 S CB 0.617 64.044 63.200 0.378 0.000 1.257 226 S HN 0.197 nan 8.310 nan 0.000 0.404 227 P HA 0.175 nan 4.420 nan 0.000 0.286 227 P C 0.944 178.109 177.300 -0.225 0.000 1.269 227 P CA -0.580 62.454 63.100 -0.111 0.000 0.787 227 P CB 1.427 33.110 31.700 -0.028 0.000 0.920 228 L N 4.756 125.783 121.223 -0.327 0.000 1.989 228 L HA -0.052 4.288 4.340 -0.000 0.000 0.211 228 L C 0.294 176.732 176.870 -0.720 0.000 1.071 228 L CA 2.043 56.509 54.840 -0.623 0.000 0.749 228 L CB -0.934 40.649 42.059 -0.793 0.000 0.890 228 L HN 0.297 nan 8.230 nan 0.000 0.431 229 Y N -1.137 119.051 120.300 -0.187 0.000 2.630 229 Y HA 0.609 5.159 4.550 -0.000 0.000 0.337 229 Y C 0.682 176.511 175.900 -0.118 0.000 1.051 229 Y CA -0.964 57.049 58.100 -0.145 0.000 1.121 229 Y CB 0.118 38.523 38.460 -0.091 0.000 1.299 229 Y HN -0.137 nan 8.280 nan 0.000 0.498 230 K N 1.248 121.704 120.400 0.093 0.000 2.258 230 K HA 0.373 4.693 4.320 -0.000 0.000 0.264 230 K C 0.456 177.082 176.600 0.042 0.000 1.007 230 K CA -0.720 55.586 56.287 0.031 0.000 0.941 230 K CB 0.118 32.626 32.500 0.013 0.000 0.966 230 K HN 0.624 nan 8.250 nan 0.000 0.480 236 G N 1.283 110.084 108.800 0.002 0.000 2.593 236 G HA2 0.168 4.128 3.960 -0.000 0.000 0.237 236 G HA3 0.168 4.128 3.960 -0.000 0.000 0.237 236 G C 0.918 175.821 174.900 0.006 0.000 1.312 236 G CA 0.108 45.210 45.100 0.004 0.000 0.896 236 G HN 1.811 nan 8.290 nan 0.000 0.574 237 A N -0.737 122.088 122.820 0.008 0.000 2.070 237 A HA 0.353 4.672 4.320 -0.000 0.000 0.220 237 A C 2.924 180.520 177.584 0.019 0.000 1.159 237 A CA 3.013 55.055 52.037 0.009 0.000 0.656 237 A CB -0.891 18.113 19.000 0.006 0.000 0.800 237 A HN 2.384 nan 8.150 nan 0.000 0.453 238 A N 0.191 123.029 122.820 0.030 0.000 1.908 238 A HA 0.125 4.445 4.320 -0.000 0.000 0.218 238 A C 2.308 179.912 177.584 0.033 0.000 1.181 238 A CA 1.786 53.855 52.037 0.053 0.000 0.627 238 A CB -0.963 18.072 19.000 0.059 0.000 0.818 238 A HN 1.173 nan 8.150 nan 0.000 0.445 239 A N -0.640 122.188 122.820 0.015 0.000 2.277 239 A HA 0.149 4.469 4.320 -0.000 0.000 0.208 239 A C 1.755 179.325 177.584 -0.024 0.000 1.202 239 A CA 1.386 53.422 52.037 -0.000 0.000 0.762 239 A CB -0.504 18.497 19.000 0.001 0.000 0.770 239 A HN 0.398 nan 8.150 nan 0.000 0.487 240 S N -0.771 114.912 115.700 -0.028 0.000 2.539 240 S HA 0.268 4.737 4.470 -0.000 0.000 0.221 240 S C 0.438 174.974 174.600 -0.108 0.000 0.987 240 S CA -0.311 57.863 58.200 -0.044 0.000 0.929 240 S CB 0.070 63.267 63.200 -0.006 0.000 0.832 240 S HN 0.493 nan 8.310 nan 0.000 0.492 241 L N 3.992 125.122 121.223 -0.155 0.000 2.536 241 L HA 0.380 4.720 4.340 -0.000 0.000 0.242 241 L C -0.293 176.038 176.870 -0.898 0.000 1.280 241 L CA -0.438 54.205 54.840 -0.328 0.000 1.221 241 L CB -1.068 40.906 42.059 -0.142 0.000 1.449 241 L HN 0.325 nan 8.230 nan 0.000 0.405 242 N N -2.192 115.811 118.700 -1.163 0.000 2.708 242 N HA 0.289 5.028 4.740 -0.000 0.000 0.257 242 N C 0.314 175.313 175.510 -0.853 0.000 1.373 242 N CA -0.974 51.435 53.050 -1.068 0.000 0.843 242 N CB 1.164 39.392 38.487 -0.432 0.000 1.503 242 N HN -0.238 nan 8.380 nan 0.000 0.504 243 V N 0.019 119.642 119.914 -0.485 0.000 2.231 243 V HA -0.291 3.829 4.120 -0.000 0.000 0.248 243 V C 1.792 177.777 176.094 -0.182 0.000 1.054 243 V CA 2.553 64.737 62.300 -0.193 0.000 1.015 243 V CB -0.923 30.724 31.823 -0.293 0.000 0.638 243 V HN 0.936 nan 8.190 nan 0.000 0.444 244 D N 0.052 120.265 120.400 -0.312 0.000 2.133 244 D HA -0.224 4.416 4.640 -0.000 0.000 0.192 244 D C 2.062 178.392 176.300 0.050 0.000 1.001 244 D CA 1.889 55.844 54.000 -0.075 0.000 0.844 244 D CB -0.245 40.572 40.800 0.027 0.000 0.944 244 D HN 0.414 nan 8.370 nan 0.000 0.447 245 A N 0.044 122.853 122.820 -0.019 0.000 1.972 245 A HA 0.075 4.395 4.320 -0.000 0.000 0.219 245 A C 2.312 179.945 177.584 0.082 0.000 1.169 245 A CA 2.129 54.178 52.037 0.019 0.000 0.635 245 A CB -0.872 18.106 19.000 -0.037 0.000 0.810 245 A HN 0.341 nan 8.150 nan 0.000 0.446 246 A N -0.545 122.343 122.820 0.113 0.000 1.872 246 A HA 0.067 4.386 4.320 -0.000 0.000 0.214 246 A C 2.222 179.972 177.584 0.276 0.000 1.187 246 A CA 1.591 53.773 52.037 0.242 0.000 0.614 246 A CB -0.972 18.222 19.000 0.323 0.000 0.826 246 A HN 0.333 nan 8.150 nan 0.000 0.442 247 V N 0.239 120.282 119.914 0.214 0.000 2.233 247 V HA -0.380 3.739 4.120 -0.000 0.000 0.247 247 V C 2.679 178.910 176.094 0.227 0.000 1.050 247 V CA 2.426 64.868 62.300 0.237 0.000 1.010 247 V CB -1.122 30.871 31.823 0.284 0.000 0.637 247 V HN 0.645 nan 8.190 nan 0.000 0.444 248 Q N -0.608 119.303 119.800 0.185 0.000 2.118 248 Q HA -0.365 3.975 4.340 -0.000 0.000 0.211 248 Q C 2.392 178.452 176.000 0.100 0.000 0.998 248 Q CA 2.452 58.334 55.803 0.131 0.000 0.872 248 Q CB -0.304 28.499 28.738 0.108 0.000 0.925 248 Q HN 0.707 nan 8.270 nan 0.000 0.414 249 Q N -0.336 119.524 119.800 0.099 0.000 2.050 249 Q HA -0.205 4.135 4.340 -0.000 0.000 0.202 249 Q C 1.626 177.584 176.000 -0.070 0.000 0.980 249 Q CA 1.555 57.358 55.803 0.001 0.000 0.840 249 Q CB -0.110 28.619 28.738 -0.016 0.000 0.898 249 Q HN 0.455 nan 8.270 nan 0.000 0.424 250 W N -0.001 121.309 121.300 0.015 0.000 2.467 250 W HA -0.103 4.557 4.660 -0.000 0.000 0.275 250 W C 1.847 178.378 176.519 0.019 0.000 1.239 250 W CA 0.068 57.418 57.345 0.008 0.000 1.266 250 W CB -0.143 29.316 29.460 -0.002 0.000 1.112 250 W HN 0.240 nan 8.180 nan 0.000 0.576 251 L N 0.665 122.005 121.223 0.196 0.000 1.961 251 L HA -0.196 4.144 4.340 -0.000 0.000 0.209 251 L C 2.544 179.452 176.870 0.062 0.000 1.075 251 L CA 2.506 57.421 54.840 0.125 0.000 0.749 251 L CB -1.718 40.404 42.059 0.105 0.000 0.890 251 L HN 0.123 nan 8.230 nan 0.000 0.433 252 E N -0.065 120.156 120.200 0.035 0.000 2.187 252 E HA -0.281 4.069 4.350 -0.000 0.000 0.199 252 E C 1.772 178.359 176.600 -0.021 0.000 1.004 252 E CA 1.880 58.283 56.400 0.005 0.000 0.813 252 E CB -0.399 29.299 29.700 -0.004 0.000 0.736 252 E HN 0.369 nan 8.360 nan 0.000 0.468 253 K N -0.688 119.679 120.400 -0.056 0.000 2.525 253 K HA 0.118 4.437 4.320 -0.000 0.000 0.192 253 K C 0.721 177.297 176.600 -0.041 0.000 1.029 253 K CA 0.473 56.705 56.287 -0.092 0.000 1.029 253 K CB 0.175 32.540 32.500 -0.225 0.000 0.814 253 K HN 0.426 nan 8.250 nan 0.000 0.503 254 G N 0.708 109.513 108.800 0.008 0.000 2.168 254 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.197 254 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.197 254 G C 0.032 174.978 174.900 0.077 0.000 0.997 254 G CA -0.385 44.736 45.100 0.035 0.000 0.658 254 G HN 0.225 nan 8.290 nan 0.000 0.513 255 T N 4.224 118.848 114.554 0.117 0.000 2.729 255 T HA 0.512 4.862 4.350 -0.000 0.000 0.296 255 T C -1.891 172.883 174.700 0.124 0.000 0.928 255 T CA -0.606 61.595 62.100 0.169 0.000 1.045 255 T CB 1.906 70.951 68.868 0.296 0.000 0.902 255 T HN 0.231 nan 8.240 nan 0.000 0.500 256 P HA 0.175 nan 4.420 nan 0.000 0.268 256 P C 0.687 178.033 177.300 0.076 0.000 1.204 256 P CA -0.254 62.891 63.100 0.075 0.000 0.768 256 P CB 0.779 32.519 31.700 0.067 0.000 0.842 257 A N 3.664 126.519 122.820 0.058 0.000 1.948 257 A HA -0.213 4.107 4.320 -0.000 0.000 0.220 257 A C 2.285 179.893 177.584 0.040 0.000 1.177 257 A CA 2.312 54.377 52.037 0.047 0.000 0.636 257 A CB -1.632 17.382 19.000 0.023 0.000 0.815 257 A HN 0.595 nan 8.150 nan 0.000 0.449 258 S N 0.016 115.737 115.700 0.036 0.000 2.374 258 S HA -0.211 4.259 4.470 -0.000 0.000 0.227 258 S C 1.788 176.414 174.600 0.043 0.000 1.037 258 S CA 1.795 60.012 58.200 0.029 0.000 1.024 258 S CB -0.292 62.927 63.200 0.031 0.000 0.861 258 S HN 0.681 nan 8.310 nan 0.000 0.456 259 K N 0.391 120.836 120.400 0.075 0.000 2.432 259 K HA 0.163 4.482 4.320 -0.000 0.000 0.196 259 K C 0.303 176.969 176.600 0.111 0.000 1.038 259 K CA 0.171 56.528 56.287 0.115 0.000 0.986 259 K CB -0.060 32.518 32.500 0.130 0.000 0.782 259 K HN 0.315 nan 8.250 nan 0.000 0.485 260 L N 2.348 123.617 121.223 0.077 0.000 2.278 260 L HA 0.294 4.634 4.340 -0.000 0.000 0.287 260 L C -0.604 176.285 176.870 0.031 0.000 1.072 260 L CA -0.435 54.436 54.840 0.051 0.000 0.819 260 L CB 0.672 42.771 42.059 0.067 0.000 1.176 260 L HN 0.065 nan 8.230 nan 0.000 0.435 261 I N 5.139 125.725 120.570 0.026 0.000 2.378 261 I HA 0.260 4.430 4.170 -0.000 0.000 0.291 261 I C -0.834 175.287 176.117 0.008 0.000 0.992 261 I CA -0.715 60.598 61.300 0.021 0.000 1.154 261 I CB 1.680 39.710 38.000 0.050 0.000 1.315 261 I HN 0.480 nan 8.210 nan 0.000 0.448 262 L N 8.312 129.541 121.223 0.010 0.000 2.325 262 L HA 0.515 4.855 4.340 -0.000 0.000 0.284 262 L C 0.639 177.517 176.870 0.013 0.000 1.089 262 L CA 0.311 55.156 54.840 0.007 0.000 0.836 262 L CB 0.483 42.561 42.059 0.032 0.000 1.184 262 L HN 0.740 nan 8.230 nan 0.000 0.444 263 G N 4.975 113.781 108.800 0.010 0.000 2.441 263 G HA2 0.401 4.361 3.960 -0.000 0.000 0.243 263 G HA3 0.401 4.361 3.960 -0.000 0.000 0.243 263 G C -0.563 174.436 174.900 0.165 0.000 1.281 263 G CA -0.425 44.750 45.100 0.125 0.000 0.854 263 G HN 0.575 nan 8.290 nan 0.000 0.560 264 M N 3.598 123.340 119.600 0.237 0.000 2.393 264 M HA 0.450 4.930 4.480 -0.000 0.000 0.299 264 M C -2.475 173.985 176.300 0.268 0.000 1.103 264 M CA -2.012 53.320 55.300 0.053 0.000 0.910 264 M CB 3.693 35.968 32.600 -0.541 0.000 1.659 264 M HN 0.282 nan 8.290 nan 0.000 0.445 265 P HA 0.342 nan 4.420 nan 0.000 0.304 265 P C -0.562 176.870 177.300 0.219 0.000 1.360 265 P CA -0.506 62.630 63.100 0.060 0.000 0.869 265 P CB 0.990 32.326 31.700 -0.608 0.000 0.988 266 T N 0.669 115.419 114.554 0.327 0.000 3.330 266 T HA 0.297 4.647 4.350 -0.000 0.000 0.249 266 T C 0.168 175.038 174.700 0.283 0.000 0.980 266 T CA -0.206 62.040 62.100 0.244 0.000 0.920 266 T CB -1.389 67.618 68.868 0.231 0.000 1.065 266 T HN 0.501 nan 8.240 nan 0.000 0.588 267 Y N -2.534 117.847 120.300 0.134 0.000 2.638 267 Y HA 0.795 5.345 4.550 -0.001 0.000 0.335 267 Y C -0.258 175.710 175.900 0.113 0.000 1.155 267 Y CA -1.878 56.277 58.100 0.091 0.000 1.046 267 Y CB 0.854 39.356 38.460 0.071 0.000 1.303 267 Y HN 0.142 nan 8.280 nan 0.000 0.460 268 G N 1.227 110.141 108.800 0.190 0.000 2.600 268 G HA2 0.662 4.622 3.960 -0.000 0.000 0.303 268 G HA3 0.662 4.622 3.960 -0.000 0.000 0.303 268 G C -1.468 173.523 174.900 0.151 0.000 1.253 268 G CA -1.480 43.676 45.100 0.092 0.000 0.974 268 G HN 0.523 nan 8.290 nan 0.000 0.483 269 R N 0.551 121.093 120.500 0.071 0.000 2.295 269 R HA 0.479 4.818 4.340 -0.000 0.000 0.324 269 R C -0.129 176.168 176.300 -0.004 0.000 0.968 269 R CA -0.430 55.684 56.100 0.024 0.000 0.837 269 R CB 1.357 31.657 30.300 -0.000 0.000 1.133 269 R HN 0.688 nan 8.270 nan 0.000 0.450 270 S N 2.380 118.024 115.700 -0.093 0.000 2.593 270 S HA 0.769 5.238 4.470 -0.000 0.000 0.297 270 S C -0.465 174.027 174.600 -0.179 0.000 1.112 270 S CA -0.605 57.613 58.200 0.029 0.000 1.043 270 S CB 1.284 64.545 63.200 0.102 0.000 1.054 270 S HN 0.331 nan 8.310 nan 0.000 0.516 271 F N -0.142 119.950 119.950 0.237 0.000 2.588 271 F HA 0.538 5.065 4.527 -0.001 0.000 0.314 271 F C 0.465 176.378 175.800 0.188 0.000 1.069 271 F CA -0.728 57.371 58.000 0.165 0.000 0.931 271 F CB 2.346 41.414 39.000 0.114 0.000 1.260 271 F HN 0.499 nan 8.300 nan 0.000 0.465 272 T N 3.547 118.282 114.554 0.301 0.000 2.767 272 T HA 0.510 4.860 4.350 -0.000 0.000 0.284 272 T C -0.171 174.634 174.700 0.175 0.000 0.973 272 T CA -0.513 61.716 62.100 0.216 0.000 0.996 272 T CB 0.421 69.372 68.868 0.138 0.000 0.927 272 T HN 0.283 nan 8.240 nan 0.000 0.456 273 L N 2.651 123.965 121.223 0.153 0.000 2.380 273 L HA 0.328 4.667 4.340 -0.000 0.000 0.273 273 L C 1.754 178.640 176.870 0.026 0.000 1.138 273 L CA -0.633 54.238 54.840 0.052 0.000 0.832 273 L CB 0.665 42.755 42.059 0.052 0.000 1.124 273 L HN 0.790 nan 8.230 nan 0.000 0.454 274 A N 2.392 125.200 122.820 -0.019 0.000 1.972 274 A HA 0.040 4.360 4.320 -0.000 0.000 0.219 274 A C 1.102 178.680 177.584 -0.009 0.000 1.169 274 A CA 1.798 53.825 52.037 -0.015 0.000 0.635 274 A CB -0.369 18.607 19.000 -0.041 0.000 0.810 274 A HN 0.838 nan 8.150 nan 0.000 0.446 275 S N -1.143 114.547 115.700 -0.017 0.000 2.689 275 S HA 0.491 4.961 4.470 -0.000 0.000 0.274 275 S C 0.644 175.247 174.600 0.004 0.000 1.176 275 S CA 0.238 58.434 58.200 -0.007 0.000 1.014 275 S CB 0.548 63.735 63.200 -0.021 0.000 1.071 275 S HN 0.814 nan 8.310 nan 0.000 0.478 276 S N 1.034 116.756 115.700 0.036 0.000 2.461 276 S HA -0.049 4.421 4.470 -0.000 0.000 0.246 276 S C 1.005 175.635 174.600 0.050 0.000 1.007 276 S CA 1.380 59.622 58.200 0.069 0.000 0.976 276 S CB -0.289 62.960 63.200 0.083 0.000 0.763 276 S HN 1.104 nan 8.310 nan 0.000 0.508 277 S N 1.281 116.990 115.700 0.015 0.000 2.461 277 S HA 0.474 4.944 4.470 -0.000 0.000 0.322 277 S C -0.830 173.744 174.600 -0.044 0.000 1.063 277 S CA -0.465 57.734 58.200 -0.001 0.000 1.120 277 S CB 0.217 63.422 63.200 0.010 0.000 0.968 277 S HN 0.397 nan 8.310 nan 0.000 0.467 278 D N 2.784 123.133 120.400 -0.085 0.000 3.218 278 D HA -0.128 4.512 4.640 -0.000 0.000 0.091 278 D C 0.074 176.248 176.300 -0.210 0.000 0.670 278 D CA 0.583 54.506 54.000 -0.128 0.000 1.258 278 D CB -1.262 39.467 40.800 -0.118 0.000 0.873 278 D HN 0.499 nan 8.370 nan 0.000 0.565 279 T N -1.376 113.020 114.554 -0.264 0.000 3.467 279 T HA 0.596 4.945 4.350 -0.000 0.000 0.232 279 T C 0.829 175.398 174.700 -0.218 0.000 0.876 279 T CA 0.257 62.132 62.100 -0.375 0.000 0.939 279 T CB -0.118 68.097 68.868 -1.088 0.000 1.165 279 T HN 0.538 nan 8.240 nan 0.000 0.615 280 R N 0.374 120.706 120.500 -0.280 0.000 2.573 280 R HA 0.764 5.104 4.340 -0.000 0.000 0.272 280 R C 0.064 176.078 176.300 -0.477 0.000 1.009 280 R CA -0.681 55.278 56.100 -0.236 0.000 1.059 280 R CB 0.127 30.317 30.300 -0.183 0.000 1.112 280 R HN 0.413 nan 8.270 nan 0.000 0.517 281 V N 1.268 120.950 119.914 -0.388 0.000 2.637 281 V HA 0.463 4.582 4.120 -0.000 0.000 0.296 281 V C 1.894 177.703 176.094 -0.476 0.000 1.046 281 V CA 1.445 63.440 62.300 -0.510 0.000 1.066 281 V CB 0.924 32.588 31.823 -0.265 0.000 0.968 281 V HN 1.620 nan 8.190 nan 0.000 0.483 282 G N 3.047 111.488 108.800 -0.599 0.000 2.199 282 G HA2 -0.130 3.830 3.960 -0.000 0.000 0.254 282 G HA3 -0.130 3.830 3.960 -0.000 0.000 0.254 282 G C 0.455 175.092 174.900 -0.438 0.000 0.982 282 G CA 0.225 45.054 45.100 -0.451 0.000 0.632 282 G HN 1.533 nan 8.290 nan 0.000 0.529 283 A N 1.544 124.037 122.820 -0.545 0.000 2.425 283 A HA 0.635 4.954 4.320 -0.000 0.000 0.242 283 A C -1.081 176.239 177.584 -0.439 0.000 1.077 283 A CA -0.317 51.451 52.037 -0.448 0.000 0.781 283 A CB 0.279 18.985 19.000 -0.490 0.000 1.020 283 A HN 0.308 nan 8.150 nan 0.000 0.494 284 P HA 0.365 nan 4.420 nan 0.000 0.271 284 P C -0.659 176.520 177.300 -0.202 0.000 1.218 284 P CA 0.220 63.190 63.100 -0.217 0.000 0.780 284 P CB 1.106 32.723 31.700 -0.138 0.000 0.901 285 A N 1.694 124.436 122.820 -0.131 0.000 2.449 285 A HA 0.527 4.847 4.320 -0.000 0.000 0.302 285 A C 1.084 178.684 177.584 0.026 0.000 1.048 285 A CA -0.233 51.784 52.037 -0.034 0.000 0.708 285 A CB 0.794 19.822 19.000 0.047 0.000 1.274 285 A HN 0.541 nan 8.150 nan 0.000 0.410 286 T N -0.703 113.878 114.554 0.045 0.000 2.942 286 T HA 0.453 4.803 4.350 -0.000 0.000 0.265 286 T C 1.000 175.739 174.700 0.065 0.000 1.062 286 T CA 1.290 63.418 62.100 0.046 0.000 1.139 286 T CB -0.070 68.822 68.868 0.041 0.000 0.883 286 T HN 2.117 nan 8.240 nan 0.000 0.468 287 G N 0.817 109.671 108.800 0.091 0.000 2.348 287 G HA2 0.427 4.386 3.960 -0.000 0.000 0.296 287 G HA3 0.427 4.386 3.960 -0.000 0.000 0.296 287 G C -0.798 174.142 174.900 0.067 0.000 1.258 287 G CA -0.378 44.770 45.100 0.080 0.000 0.868 287 G HN 0.680 nan 8.290 nan 0.000 0.488 288 S N -0.755 114.955 115.700 0.017 0.000 2.559 288 S HA 0.484 4.954 4.470 -0.000 0.000 0.282 288 S C 0.893 175.506 174.600 0.023 0.000 1.336 288 S CA 0.564 58.742 58.200 -0.036 0.000 1.037 288 S CB 0.817 64.009 63.200 -0.013 0.000 0.853 288 S HN 1.865 nan 8.310 nan 0.000 0.523 289 G N 0.924 109.733 108.800 0.014 0.000 2.507 289 G HA2 0.465 4.425 3.960 -0.000 0.000 0.271 289 G HA3 0.465 4.425 3.960 -0.000 0.000 0.271 289 G C -0.171 174.784 174.900 0.092 0.000 1.189 289 G CA -0.835 44.327 45.100 0.105 0.000 0.859 289 G HN 0.888 nan 8.290 nan 0.000 0.542 290 T N 2.987 117.609 114.554 0.113 0.000 2.819 290 T HA 0.108 4.458 4.350 -0.000 0.000 0.282 290 T C -1.971 172.782 174.700 0.089 0.000 1.013 290 T CA -0.053 62.101 62.100 0.089 0.000 1.159 290 T CB 0.407 69.326 68.868 0.085 0.000 1.007 290 T HN 0.271 nan 8.240 nan 0.000 0.514 291 P HA 0.218 nan 4.420 nan 0.000 0.267 291 P C 0.550 177.898 177.300 0.080 0.000 1.200 291 P CA -0.162 62.980 63.100 0.070 0.000 0.772 291 P CB 0.377 32.112 31.700 0.058 0.000 0.855 292 G N 3.419 112.277 108.800 0.097 0.000 2.491 292 G HA2 0.161 4.120 3.960 -0.000 0.000 0.242 292 G HA3 0.161 4.120 3.960 -0.000 0.000 0.242 292 G C -1.416 173.530 174.900 0.077 0.000 1.266 292 G CA -0.952 44.217 45.100 0.114 0.000 0.844 292 G HN 0.358 nan 8.290 nan 0.000 0.571 293 P HA -0.066 nan 4.420 nan 0.000 0.222 293 P C 0.844 177.993 177.300 -0.252 0.000 1.147 293 P CA 1.181 64.180 63.100 -0.168 0.000 0.790 293 P CB 0.152 31.672 31.700 -0.299 0.000 0.780 294 F N -0.018 120.049 119.950 0.194 0.000 2.553 294 F HA 0.033 4.560 4.527 -0.001 0.000 0.282 294 F C 2.549 178.483 175.800 0.223 0.000 1.089 294 F CA 1.189 59.334 58.000 0.241 0.000 1.411 294 F CB -0.792 38.455 39.000 0.411 0.000 1.125 294 F HN -0.126 nan 8.300 nan 0.000 0.610 295 T N -2.356 112.412 114.554 0.356 0.000 3.043 295 T HA 0.005 4.355 4.350 -0.000 0.000 0.263 295 T C 0.821 175.636 174.700 0.192 0.000 1.094 295 T CA 0.180 62.434 62.100 0.256 0.000 1.127 295 T CB -0.479 68.494 68.868 0.176 0.000 0.905 295 T HN 0.160 nan 8.240 nan 0.000 0.490 296 K N 1.414 121.906 120.400 0.153 0.000 3.156 296 K HA -0.200 4.120 4.320 -0.000 0.000 0.266 296 K C -0.245 176.413 176.600 0.096 0.000 0.966 296 K CA 0.872 57.227 56.287 0.112 0.000 0.719 296 K CB -1.563 31.008 32.500 0.118 0.000 1.333 296 K HN 0.817 nan 8.250 nan 0.000 0.468 297 E N -0.021 120.230 120.200 0.086 0.000 2.313 297 E HA 0.332 4.681 4.350 -0.000 0.000 0.280 297 E C -0.041 176.589 176.600 0.051 0.000 0.898 297 E CA -0.491 55.947 56.400 0.063 0.000 0.803 297 E CB 1.372 31.108 29.700 0.059 0.000 1.286 297 E HN 0.279 nan 8.360 nan 0.000 0.401 298 G N 1.751 110.575 108.800 0.041 0.000 2.432 298 G HA2 0.394 4.353 3.960 -0.000 0.000 0.239 298 G HA3 0.394 4.353 3.960 -0.000 0.000 0.239 298 G C 0.974 175.879 174.900 0.009 0.000 1.291 298 G CA 0.458 45.577 45.100 0.031 0.000 0.863 298 G HN 1.107 nan 8.290 nan 0.000 0.560 299 G N 1.000 109.788 108.800 -0.021 0.000 2.258 299 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.233 299 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.233 299 G C 0.369 175.247 174.900 -0.038 0.000 1.006 299 G CA 0.667 45.713 45.100 -0.090 0.000 0.620 299 G HN 0.966 nan 8.290 nan 0.000 0.511 300 M N 0.585 120.202 119.600 0.028 0.000 2.591 300 M HA 0.832 5.312 4.480 -0.000 0.000 0.306 300 M C -1.594 174.755 176.300 0.081 0.000 1.190 300 M CA -0.782 54.568 55.300 0.083 0.000 0.889 300 M CB 1.863 34.493 32.600 0.050 0.000 1.728 300 M HN 0.245 nan 8.290 nan 0.000 0.458 301 L N 2.376 123.662 121.223 0.105 0.000 2.526 301 L HA 0.595 4.935 4.340 -0.000 0.000 0.263 301 L C -0.319 176.560 176.870 0.015 0.000 0.943 301 L CA -0.842 54.019 54.840 0.035 0.000 0.859 301 L CB 2.063 44.107 42.059 -0.025 0.000 1.313 301 L HN 0.893 nan 8.230 nan 0.000 0.406 302 A N 1.141 123.887 122.820 -0.124 0.000 2.366 302 A HA 0.145 4.465 4.320 -0.000 0.000 0.249 302 A C 0.437 177.850 177.584 -0.284 0.000 1.084 302 A CA 0.173 52.056 52.037 -0.257 0.000 0.794 302 A CB 0.110 18.632 19.000 -0.796 0.000 1.034 302 A HN 0.783 nan 8.150 nan 0.000 0.491 303 Y N 1.311 121.452 120.300 -0.265 0.000 2.207 303 Y HA -0.314 4.236 4.550 -0.000 0.000 0.287 303 Y C 1.876 177.627 175.900 -0.249 0.000 1.156 303 Y CA 2.695 60.666 58.100 -0.215 0.000 1.182 303 Y CB -0.655 37.753 38.460 -0.087 0.000 0.979 303 Y HN 0.785 nan 8.280 nan 0.000 0.521 304 Y N -1.304 118.891 120.300 -0.176 0.000 2.616 304 Y HA 0.120 4.669 4.550 -0.000 0.000 0.296 304 Y C 1.481 177.269 175.900 -0.186 0.000 1.154 304 Y CA 0.743 58.639 58.100 -0.339 0.000 1.325 304 Y CB -0.734 37.459 38.460 -0.445 0.000 1.007 304 Y HN 0.170 nan 8.280 nan 0.000 0.542 305 E N 0.065 120.139 120.200 -0.211 0.000 2.415 305 E HA 0.048 4.398 4.350 -0.000 0.000 0.197 305 E C 1.531 178.055 176.600 -0.128 0.000 1.007 305 E CA 0.483 56.894 56.400 0.018 0.000 0.890 305 E CB 0.459 30.184 29.700 0.043 0.000 0.891 305 E HN 0.441 nan 8.360 nan 0.000 0.496 306 V N 0.697 120.301 119.914 -0.517 0.000 2.908 306 V HA -0.154 3.965 4.120 -0.000 0.000 0.240 306 V C 2.566 178.111 176.094 -0.914 0.000 1.117 306 V CA 0.911 62.598 62.300 -1.021 0.000 1.133 306 V CB -0.261 30.745 31.823 -1.361 0.000 0.857 306 V HN 0.558 nan 8.190 nan 0.000 0.478 307 c N 1.703 119.747 118.600 -0.925 0.000 2.396 307 c HA -0.130 4.440 4.570 -0.000 0.000 0.279 307 c C 1.919 175.783 174.090 -0.377 0.000 1.229 307 c CA 0.952 56.800 56.329 -0.802 0.000 1.801 307 c CB -1.570 40.229 42.510 -1.186 0.000 2.050 307 c HN 0.637 nan 8.230 nan 0.000 0.491 308 S N -2.150 113.406 115.700 -0.239 0.000 2.272 308 S HA 0.424 4.894 4.470 -0.000 0.000 0.207 308 S C -0.531 174.129 174.600 0.100 0.000 1.336 308 S CA -0.604 57.557 58.200 -0.065 0.000 1.259 308 S CB -0.457 62.709 63.200 -0.057 0.000 1.130 308 S HN 0.601 nan 8.310 nan 0.000 0.444 313 G N -0.266 108.508 108.800 -0.044 0.000 2.246 313 G HA2 0.275 4.234 3.960 -0.000 0.000 0.273 313 G HA3 0.275 4.234 3.960 -0.000 0.000 0.273 313 G C 0.423 175.285 174.900 -0.064 0.000 1.055 313 G CA 0.870 45.937 45.100 -0.055 0.000 0.851 313 G HN 2.272 nan 8.290 nan 0.000 0.500 314 A N -1.404 121.399 122.820 -0.029 0.000 2.309 314 A HA 1.124 5.444 4.320 -0.000 0.000 0.317 314 A C 0.417 177.905 177.584 -0.160 0.000 1.134 314 A CA 0.598 52.622 52.037 -0.022 0.000 0.866 314 A CB 1.368 20.540 19.000 0.286 0.000 1.329 314 A HN 1.908 nan 8.150 nan 0.000 0.477 315 T N 0.585 114.880 114.554 -0.431 0.000 2.833 315 T HA 0.560 4.909 4.350 -0.000 0.000 0.297 315 T C -0.317 174.046 174.700 -0.562 0.000 1.015 315 T CA -0.501 61.274 62.100 -0.542 0.000 0.963 315 T CB 0.162 68.591 68.868 -0.732 0.000 0.955 315 T HN 0.647 nan 8.240 nan 0.000 0.449 316 K N 3.786 124.015 120.400 -0.284 0.000 2.248 316 K HA 0.461 4.781 4.320 -0.000 0.000 0.281 316 K C -0.345 176.107 176.600 -0.247 0.000 1.054 316 K CA -0.247 55.907 56.287 -0.221 0.000 0.903 316 K CB 0.628 33.082 32.500 -0.077 0.000 1.077 316 K HN 0.771 nan 8.250 nan 0.000 0.474 317 Q N 2.699 122.250 119.800 -0.415 0.000 2.814 317 Q HA 0.486 4.826 4.340 -0.000 0.000 0.283 317 Q C -0.982 174.811 176.000 -0.345 0.000 1.071 317 Q CA -1.215 54.349 55.803 -0.398 0.000 0.849 317 Q CB 2.167 30.578 28.738 -0.546 0.000 1.437 317 Q HN 0.427 nan 8.270 nan 0.000 0.492 318 R N 0.751 121.163 120.500 -0.147 0.000 2.515 318 R HA 0.403 4.743 4.340 -0.000 0.000 0.291 318 R C -1.194 175.173 176.300 0.112 0.000 1.046 318 R CA -0.366 55.720 56.100 -0.024 0.000 0.914 318 R CB 1.071 31.350 30.300 -0.035 0.000 1.191 318 R HN 0.567 nan 8.270 nan 0.000 0.435 319 I N 5.145 125.827 120.570 0.186 0.000 2.372 319 I HA 0.007 4.176 4.170 -0.000 0.000 0.298 319 I C 1.889 178.054 176.117 0.080 0.000 1.137 319 I CA 0.226 61.633 61.300 0.179 0.000 1.314 319 I CB 0.964 39.062 38.000 0.162 0.000 1.444 319 I HN 0.840 nan 8.210 nan 0.000 0.541 320 Q N 4.620 124.466 119.800 0.077 0.000 2.118 320 Q HA -0.272 4.068 4.340 -0.000 0.000 0.211 320 Q C 1.565 177.600 176.000 0.058 0.000 0.998 320 Q CA 2.522 58.357 55.803 0.055 0.000 0.872 320 Q CB -0.619 28.148 28.738 0.048 0.000 0.925 320 Q HN 0.697 nan 8.270 nan 0.000 0.414 321 D N -0.164 120.270 120.400 0.057 0.000 2.178 321 D HA -0.100 4.540 4.640 -0.000 0.000 0.202 321 D C 1.716 178.084 176.300 0.114 0.000 0.974 321 D CA 1.465 55.503 54.000 0.064 0.000 0.841 321 D CB -0.005 40.820 40.800 0.041 0.000 0.953 321 D HN 0.798 nan 8.370 nan 0.000 0.478 322 Q N 0.028 119.864 119.800 0.060 0.000 2.282 322 Q HA 0.083 4.423 4.340 -0.000 0.000 0.206 322 Q C 0.012 175.969 176.000 -0.072 0.000 0.878 322 Q CA -0.193 55.611 55.803 0.002 0.000 0.944 322 Q CB 0.766 29.471 28.738 -0.056 0.000 1.100 322 Q HN -0.034 nan 8.270 nan 0.000 0.509 323 K N -0.193 120.201 120.400 -0.011 0.000 3.048 323 K HA -0.160 4.159 4.320 -0.000 0.000 0.274 323 K C -0.188 176.346 176.600 -0.111 0.000 1.098 323 K CA 1.012 57.280 56.287 -0.031 0.000 0.807 323 K CB -2.660 29.836 32.500 -0.007 0.000 1.217 323 K HN 0.328 nan 8.250 nan 0.000 0.477 324 V N -2.967 116.832 119.914 -0.191 0.000 2.823 324 V HA 0.788 4.907 4.120 -0.000 0.000 0.312 324 V C -2.409 173.561 176.094 -0.207 0.000 1.072 324 V CA -2.231 59.885 62.300 -0.307 0.000 0.937 324 V CB 2.871 34.242 31.823 -0.753 0.000 1.013 324 V HN -0.139 nan 8.190 nan 0.000 0.430 325 P HA 0.569 nan 4.420 nan 0.000 0.283 325 P C -1.888 175.403 177.300 -0.015 0.000 1.278 325 P CA -0.358 62.639 63.100 -0.173 0.000 0.834 325 P CB 1.510 32.974 31.700 -0.393 0.000 1.150 326 Y N -1.208 119.020 120.300 -0.119 0.000 2.571 326 Y HA 0.796 5.346 4.550 -0.000 0.000 0.341 326 Y C -1.571 174.280 175.900 -0.083 0.000 1.076 326 Y CA -1.426 56.561 58.100 -0.188 0.000 1.029 326 Y CB 1.479 39.677 38.460 -0.437 0.000 1.308 326 Y HN 0.361 nan 8.280 nan 0.000 0.461 327 I N 4.244 124.777 120.570 -0.060 0.000 2.656 327 I HA 0.696 4.866 4.170 -0.000 0.000 0.292 327 I C -1.936 174.172 176.117 -0.015 0.000 1.144 327 I CA -1.158 60.063 61.300 -0.131 0.000 1.038 327 I CB 1.863 39.751 38.000 -0.187 0.000 1.244 327 I HN 0.748 nan 8.210 nan 0.000 0.420 328 F N 5.417 125.434 119.950 0.112 0.000 2.603 328 F HA 0.793 5.319 4.527 -0.000 0.000 0.317 328 F C -0.999 175.027 175.800 0.376 0.000 1.066 328 F CA -0.979 57.214 58.000 0.321 0.000 0.941 328 F CB 1.375 40.593 39.000 0.364 0.000 1.291 328 F HN 0.513 nan 8.300 nan 0.000 0.472 329 R N 2.379 123.163 120.500 0.474 0.000 2.572 329 R HA 0.328 4.667 4.340 -0.000 0.000 0.273 329 R C -1.336 175.058 176.300 0.157 0.000 1.168 329 R CA -0.122 56.076 56.100 0.164 0.000 1.021 329 R CB 1.250 31.463 30.300 -0.145 0.000 1.249 329 R HN 0.987 nan 8.270 nan 0.000 0.423 330 D N 1.494 121.992 120.400 0.163 0.000 4.089 330 D HA -0.302 4.338 4.640 -0.000 0.000 0.141 330 D C 0.294 176.706 176.300 0.185 0.000 0.858 330 D CA 2.244 56.319 54.000 0.125 0.000 1.094 330 D CB -0.557 40.267 40.800 0.040 0.000 0.550 330 D HN 0.818 nan 8.370 nan 0.000 0.562 331 N N 0.995 119.784 118.700 0.150 0.000 2.251 331 N HA -0.006 4.733 4.740 -0.000 0.000 0.217 331 N C -0.689 174.963 175.510 0.236 0.000 1.124 331 N CA 0.181 53.331 53.050 0.166 0.000 0.843 331 N CB 0.341 38.892 38.487 0.107 0.000 1.024 331 N HN 0.253 nan 8.380 nan 0.000 0.501 332 Q N 0.517 120.496 119.800 0.299 0.000 2.271 332 Q HA 0.270 4.610 4.340 -0.000 0.000 0.258 332 Q C -1.495 174.874 176.000 0.614 0.000 0.936 332 Q CA -0.236 55.812 55.803 0.408 0.000 0.909 332 Q CB 1.687 30.637 28.738 0.353 0.000 1.253 332 Q HN 0.388 nan 8.270 nan 0.000 0.440 333 W N 2.967 124.501 121.300 0.390 0.000 2.785 333 W HA 0.608 5.268 4.660 -0.000 0.000 0.333 333 W C -1.369 175.374 176.519 0.372 0.000 1.062 333 W CA -0.513 57.074 57.345 0.402 0.000 1.233 333 W CB 1.344 30.956 29.460 0.254 0.000 1.413 333 W HN 0.287 nan 8.180 nan 0.000 0.489 334 V N 4.623 124.485 119.914 -0.086 0.000 2.733 334 V HA 0.703 4.823 4.120 -0.000 0.000 0.306 334 V C 0.019 175.939 176.094 -0.290 0.000 1.084 334 V CA -0.938 61.304 62.300 -0.097 0.000 0.905 334 V CB 1.645 33.325 31.823 -0.238 0.000 1.010 334 V HN 0.732 nan 8.190 nan 0.000 0.424 335 G N 3.910 112.622 108.800 -0.147 0.000 2.415 335 G HA2 0.704 4.663 3.960 -0.000 0.000 0.317 335 G HA3 0.704 4.663 3.960 -0.000 0.000 0.317 335 G C -0.981 173.754 174.900 -0.274 0.000 1.152 335 G CA -0.259 44.647 45.100 -0.324 0.000 0.956 335 G HN 0.675 nan 8.290 nan 0.000 0.458 336 F N -0.062 119.737 119.950 -0.253 0.000 2.664 336 F HA 0.796 5.323 4.527 -0.000 0.000 0.329 336 F C -1.043 174.819 175.800 0.103 0.000 1.090 336 F CA -2.259 55.675 58.000 -0.109 0.000 0.978 336 F CB 1.131 40.071 39.000 -0.101 0.000 1.378 336 F HN 0.237 nan 8.300 nan 0.000 0.495 337 D N 0.822 121.231 120.400 0.014 0.000 2.168 337 D HA 0.370 5.010 4.640 -0.000 0.000 0.246 337 D C -1.003 175.167 176.300 -0.215 0.000 1.050 337 D CA -0.084 53.870 54.000 -0.078 0.000 0.857 337 D CB 1.297 42.209 40.800 0.188 0.000 1.169 337 D HN 0.642 nan 8.370 nan 0.000 0.453 338 D N 0.343 120.559 120.400 -0.308 0.000 2.654 338 D HA 0.159 4.799 4.640 -0.000 0.000 0.255 338 D C 1.033 177.119 176.300 -0.357 0.000 1.101 338 D CA -0.725 53.124 54.000 -0.253 0.000 1.116 338 D CB 0.450 41.231 40.800 -0.031 0.000 1.348 338 D HN 0.126 nan 8.370 nan 0.000 0.609 339 V N -0.020 119.735 119.914 -0.265 0.000 2.324 339 V HA -0.270 3.850 4.120 -0.000 0.000 0.250 339 V C 2.478 178.542 176.094 -0.049 0.000 1.060 339 V CA 2.609 64.802 62.300 -0.180 0.000 1.042 339 V CB -0.845 30.931 31.823 -0.078 0.000 0.650 339 V HN 0.740 nan 8.190 nan 0.000 0.450 340 E N 0.510 120.688 120.200 -0.036 0.000 2.072 340 E HA -0.207 4.142 4.350 -0.000 0.000 0.191 340 E C 2.307 178.922 176.600 0.025 0.000 0.985 340 E CA 1.538 57.938 56.400 -0.000 0.000 0.801 340 E CB -0.106 29.586 29.700 -0.014 0.000 0.750 340 E HN 0.783 nan 8.360 nan 0.000 0.452 341 S N 0.034 115.739 115.700 0.009 0.000 2.368 341 S HA -0.152 4.318 4.470 -0.000 0.000 0.225 341 S C 1.832 176.551 174.600 0.199 0.000 1.030 341 S CA 0.811 59.046 58.200 0.058 0.000 0.999 341 S CB -0.597 62.619 63.200 0.026 0.000 0.844 341 S HN 0.204 nan 8.310 nan 0.000 0.459 342 F N 2.530 122.450 119.950 -0.049 0.000 2.134 342 F HA 0.086 4.613 4.527 -0.000 0.000 0.299 342 F C 2.417 178.214 175.800 -0.006 0.000 1.097 342 F CA 0.559 58.544 58.000 -0.024 0.000 1.264 342 F CB -0.734 38.248 39.000 -0.030 0.000 1.001 342 F HN 0.188 nan 8.300 nan 0.000 0.479 343 K N -0.578 119.935 120.400 0.189 0.000 2.063 343 K HA -0.169 4.151 4.320 -0.000 0.000 0.208 343 K C 1.932 178.582 176.600 0.083 0.000 1.048 343 K CA 2.073 58.424 56.287 0.108 0.000 0.928 343 K CB -0.579 31.966 32.500 0.076 0.000 0.713 343 K HN 0.211 nan 8.250 nan 0.000 0.442 344 T N 1.257 115.857 114.554 0.077 0.000 2.788 344 T HA -0.108 4.242 4.350 -0.000 0.000 0.268 344 T C 1.624 176.366 174.700 0.070 0.000 1.044 344 T CA 1.221 63.360 62.100 0.066 0.000 1.139 344 T CB -0.041 68.850 68.868 0.038 0.000 0.867 344 T HN 0.245 nan 8.240 nan 0.000 0.454 345 K N 0.585 121.009 120.400 0.040 0.000 2.155 345 K HA 0.038 4.357 4.320 -0.000 0.000 0.203 345 K C 2.301 178.947 176.600 0.077 0.000 1.052 345 K CA 0.671 56.972 56.287 0.023 0.000 0.948 345 K CB -0.250 32.209 32.500 -0.068 0.000 0.728 345 K HN 0.158 nan 8.250 nan 0.000 0.448 346 V N 0.763 120.701 119.914 0.041 0.000 2.379 346 V HA -0.213 3.907 4.120 -0.000 0.000 0.245 346 V C 2.370 178.494 176.094 0.051 0.000 1.044 346 V CA 1.752 64.071 62.300 0.032 0.000 1.036 346 V CB -0.181 31.655 31.823 0.022 0.000 0.664 346 V HN 0.329 nan 8.190 nan 0.000 0.453 347 S N -1.055 114.686 115.700 0.068 0.000 2.370 347 S HA -0.271 4.198 4.470 -0.000 0.000 0.226 347 S C 1.997 176.638 174.600 0.068 0.000 1.033 347 S CA 2.104 60.342 58.200 0.063 0.000 1.011 347 S CB -0.422 62.823 63.200 0.076 0.000 0.852 347 S HN 0.699 nan 8.310 nan 0.000 0.457 348 Y N 2.030 122.330 120.300 0.001 0.000 2.145 348 Y HA -0.056 4.494 4.550 -0.000 0.000 0.286 348 Y C 2.112 178.012 175.900 0.000 0.000 1.145 348 Y CA 1.934 60.035 58.100 0.003 0.000 1.148 348 Y CB -0.561 37.869 38.460 -0.050 0.000 0.981 348 Y HN 0.340 nan 8.280 nan 0.000 0.507 349 L N 0.475 121.702 121.223 0.006 0.000 2.042 349 L HA -0.244 4.096 4.340 -0.000 0.000 0.210 349 L C 2.220 179.026 176.870 -0.106 0.000 1.076 349 L CA 1.818 56.631 54.840 -0.044 0.000 0.749 349 L CB -0.483 41.606 42.059 0.050 0.000 0.893 349 L HN 0.180 nan 8.230 nan 0.000 0.432 350 K N -0.207 120.154 120.400 -0.066 0.000 2.032 350 K HA -0.252 4.068 4.320 -0.000 0.000 0.209 350 K C 2.142 178.689 176.600 -0.088 0.000 1.048 350 K CA 1.686 57.939 56.287 -0.056 0.000 0.927 350 K CB -0.325 32.158 32.500 -0.027 0.000 0.712 350 K HN 0.351 nan 8.250 nan 0.000 0.441 351 Q N 1.298 121.021 119.800 -0.128 0.000 2.124 351 Q HA -0.081 4.259 4.340 -0.000 0.000 0.202 351 Q C 1.551 177.444 176.000 -0.178 0.000 0.977 351 Q CA 1.543 57.263 55.803 -0.139 0.000 0.850 351 Q CB 0.116 28.769 28.738 -0.142 0.000 0.901 351 Q HN 0.024 nan 8.270 nan 0.000 0.429 352 K N -1.004 119.225 120.400 -0.285 0.000 2.487 352 K HA 0.126 4.445 4.320 -0.000 0.000 0.192 352 K C 0.580 177.113 176.600 -0.112 0.000 1.027 352 K CA 0.726 56.876 56.287 -0.228 0.000 1.054 352 K CB 0.074 32.371 32.500 -0.337 0.000 0.824 352 K HN 0.392 nan 8.250 nan 0.000 0.510 353 G N 1.894 110.637 108.800 -0.094 0.000 2.221 353 G HA2 -0.249 3.711 3.960 -0.000 0.000 0.265 353 G HA3 -0.249 3.711 3.960 -0.000 0.000 0.265 353 G C -0.077 174.804 174.900 -0.032 0.000 1.041 353 G CA -0.095 44.975 45.100 -0.050 0.000 0.807 353 G HN 0.104 nan 8.290 nan 0.000 0.502 354 L N -0.146 121.054 121.223 -0.037 0.000 2.464 354 L HA 0.546 4.886 4.340 -0.000 0.000 0.264 354 L C 2.083 178.945 176.870 -0.014 0.000 1.199 354 L CA 1.219 56.052 54.840 -0.012 0.000 0.818 354 L CB 0.387 42.446 42.059 -0.001 0.000 1.102 354 L HN 0.183 nan 8.230 nan 0.000 0.473 355 G N -0.147 108.648 108.800 -0.008 0.000 2.509 355 G HA2 0.361 4.320 3.960 -0.000 0.000 0.218 355 G HA3 0.361 4.320 3.960 -0.000 0.000 0.218 355 G C 0.597 175.463 174.900 -0.057 0.000 1.124 355 G CA 0.814 45.896 45.100 -0.030 0.000 0.776 355 G HN 1.062 nan 8.290 nan 0.000 0.547 356 G N -1.890 106.883 108.800 -0.044 0.000 2.350 356 G HA2 0.563 4.523 3.960 -0.000 0.000 0.276 356 G HA3 0.563 4.523 3.960 -0.000 0.000 0.276 356 G C -1.347 173.531 174.900 -0.038 0.000 1.313 356 G CA -0.153 44.916 45.100 -0.052 0.000 0.903 356 G HN 1.020 nan 8.290 nan 0.000 0.490 357 A N -0.228 122.567 122.820 -0.042 0.000 2.337 357 A HA 0.834 5.153 4.320 -0.000 0.000 0.329 357 A C -0.073 177.508 177.584 -0.005 0.000 1.146 357 A CA -0.430 51.587 52.037 -0.034 0.000 0.800 357 A CB 1.682 20.642 19.000 -0.066 0.000 1.220 357 A HN 1.386 nan 8.150 nan 0.000 0.472 358 M N 2.816 122.444 119.600 0.046 0.000 2.528 358 M HA 0.667 5.147 4.480 -0.000 0.000 0.321 358 M C -1.924 174.502 176.300 0.210 0.000 1.153 358 M CA -0.534 54.849 55.300 0.139 0.000 0.951 358 M CB 1.593 34.326 32.600 0.222 0.000 1.705 358 M HN 0.419 nan 8.290 nan 0.000 0.451 359 V N 4.509 124.586 119.914 0.272 0.000 2.709 359 V HA 0.521 4.641 4.120 -0.000 0.000 0.308 359 V C -1.388 174.959 176.094 0.423 0.000 1.062 359 V CA -0.737 61.748 62.300 0.308 0.000 0.901 359 V CB 2.323 34.263 31.823 0.193 0.000 1.003 359 V HN 0.891 nan 8.190 nan 0.000 0.425 360 W N 5.190 126.653 121.300 0.272 0.000 2.463 360 W HA 0.810 5.470 4.660 -0.000 0.000 0.316 360 W C -0.643 175.972 176.519 0.160 0.000 1.004 360 W CA -0.443 56.999 57.345 0.163 0.000 1.309 360 W CB 1.671 31.144 29.460 0.022 0.000 1.288 360 W HN 0.775 nan 8.180 nan 0.000 0.423 361 A N 4.504 127.220 122.820 -0.175 0.000 2.569 361 A HA 0.502 4.822 4.320 -0.000 0.000 0.290 361 A C 0.226 177.621 177.584 -0.316 0.000 1.136 361 A CA -0.648 51.036 52.037 -0.588 0.000 0.710 361 A CB 1.353 19.513 19.000 -1.401 0.000 1.303 361 A HN 0.557 nan 8.150 nan 0.000 0.413 362 L N -0.116 120.880 121.223 -0.378 0.000 2.043 362 L HA -0.236 4.104 4.340 -0.000 0.000 0.212 362 L C 1.923 178.551 176.870 -0.404 0.000 1.075 362 L CA 2.511 57.204 54.840 -0.246 0.000 0.752 362 L CB -0.469 41.417 42.059 -0.288 0.000 0.891 362 L HN 0.979 nan 8.230 nan 0.000 0.432 363 D N -1.092 118.764 120.400 -0.906 0.000 2.363 363 D HA -0.124 4.516 4.640 -0.000 0.000 0.220 363 D C 1.864 178.197 176.300 0.055 0.000 0.994 363 D CA 0.617 54.154 54.000 -0.772 0.000 0.890 363 D CB -0.143 40.041 40.800 -1.027 0.000 0.906 363 D HN 0.324 nan 8.370 nan 0.000 0.530 364 L N -0.486 120.760 121.223 0.038 0.000 2.513 364 L HA 0.166 4.506 4.340 -0.000 0.000 0.222 364 L C 0.894 177.926 176.870 0.271 0.000 1.096 364 L CA -0.117 54.818 54.840 0.159 0.000 0.857 364 L CB -0.045 42.070 42.059 0.093 0.000 1.026 364 L HN 0.052 nan 8.230 nan 0.000 0.469 365 D N 0.147 120.748 120.400 0.334 0.000 2.348 365 D HA -0.014 4.625 4.640 -0.000 0.000 0.249 365 D C -0.314 176.223 176.300 0.396 0.000 1.110 365 D CA -0.331 53.868 54.000 0.331 0.000 0.967 365 D CB 1.072 42.064 40.800 0.320 0.000 1.139 365 D HN -0.168 nan 8.370 nan 0.000 0.466 366 D N 1.436 121.963 120.400 0.211 0.000 2.545 366 D HA -0.011 4.629 4.640 -0.000 0.000 0.227 366 D C 0.996 177.087 176.300 -0.349 0.000 1.150 366 D CA -0.337 53.545 54.000 -0.197 0.000 1.046 366 D CB -0.917 39.722 40.800 -0.268 0.000 1.098 366 D HN 0.363 nan 8.370 nan 0.000 0.502 367 F N 1.212 120.990 119.950 -0.287 0.000 2.333 367 F HA 0.038 4.565 4.527 -0.000 0.000 0.300 367 F C 1.462 176.962 175.800 -0.499 0.000 1.083 367 F CA 0.634 58.206 58.000 -0.714 0.000 1.395 367 F CB -0.323 38.566 39.000 -0.186 0.000 1.056 367 F HN 0.263 nan 8.300 nan 0.000 0.529 368 A N 0.119 122.626 122.820 -0.521 0.000 2.571 368 A HA 0.556 4.876 4.320 -0.000 0.000 0.274 368 A C 1.539 179.013 177.584 -0.184 0.000 1.196 368 A CA 0.113 52.021 52.037 -0.215 0.000 0.957 368 A CB -0.902 18.017 19.000 -0.134 0.000 1.150 368 A HN 0.865 nan 8.150 nan 0.000 0.539 369 G N 0.362 108.967 108.800 -0.324 0.000 2.393 369 G HA2 -0.320 3.640 3.960 -0.000 0.000 0.299 369 G HA3 -0.320 3.640 3.960 -0.000 0.000 0.299 369 G C 0.298 175.066 174.900 -0.220 0.000 0.990 369 G CA 0.808 45.749 45.100 -0.264 0.000 1.118 369 G HN 1.423 nan 8.290 nan 0.000 0.513 370 F N -1.773 117.990 119.950 -0.312 0.000 2.721 370 F HA 0.535 5.062 4.527 -0.001 0.000 0.301 370 F C 1.582 177.255 175.800 -0.212 0.000 1.096 370 F CA 0.493 58.327 58.000 -0.276 0.000 1.308 370 F CB 0.057 38.825 39.000 -0.387 0.000 1.086 370 F HN 0.291 nan 8.300 nan 0.000 0.587 371 S N -0.924 114.452 115.700 -0.540 0.000 2.930 371 S HA 0.083 4.553 4.470 -0.000 0.000 0.253 371 S C 1.359 175.832 174.600 -0.212 0.000 1.083 371 S CA 0.698 58.721 58.200 -0.295 0.000 0.836 371 S CB -0.698 62.266 63.200 -0.394 0.000 0.814 371 S HN 0.361 nan 8.310 nan 0.000 0.467 372 c N 2.720 121.160 118.600 -0.267 0.000 2.618 372 c HA 0.450 5.020 4.570 -0.000 0.000 0.264 372 c C 0.828 174.859 174.090 -0.099 0.000 1.334 372 c CA -0.237 55.984 56.329 -0.179 0.000 1.731 372 c CB -1.424 40.978 42.510 -0.179 0.000 1.852 372 c HN 0.711 nan 8.230 nan 0.000 0.566 373 N N 0.958 119.603 118.700 -0.092 0.000 2.725 373 N HA -0.195 4.545 4.740 -0.000 0.000 0.249 373 N C 0.049 175.541 175.510 -0.030 0.000 1.103 373 N CA 0.936 53.955 53.050 -0.051 0.000 0.707 373 N CB -1.341 37.125 38.487 -0.036 0.000 1.043 373 N HN 0.734 nan 8.380 nan 0.000 0.553 374 Q N -0.363 119.420 119.800 -0.028 0.000 2.141 374 Q HA 0.421 4.761 4.340 -0.000 0.000 0.248 374 Q C 1.052 177.054 176.000 0.002 0.000 0.834 374 Q CA 0.272 56.077 55.803 0.004 0.000 1.096 374 Q CB 1.041 29.805 28.738 0.043 0.000 1.189 374 Q HN 0.477 nan 8.270 nan 0.000 0.471 375 G N 1.789 110.577 108.800 -0.019 0.000 2.796 375 G HA2 -0.301 3.659 3.960 -0.000 0.000 0.226 375 G HA3 -0.301 3.659 3.960 -0.000 0.000 0.226 375 G C -0.736 174.147 174.900 -0.029 0.000 1.381 375 G CA -0.895 44.197 45.100 -0.013 0.000 0.867 375 G HN 0.341 nan 8.290 nan 0.000 0.552 376 R N -0.719 119.779 120.500 -0.003 0.000 2.491 376 R HA 0.407 4.747 4.340 -0.000 0.000 0.283 376 R C -0.090 176.270 176.300 0.100 0.000 1.072 376 R CA 0.052 56.136 56.100 -0.026 0.000 1.048 376 R CB 0.088 30.417 30.300 0.048 0.000 0.983 376 R HN 0.734 nan 8.270 nan 0.000 0.450 377 Y N 0.012 120.365 120.300 0.088 0.000 3.125 377 Y HA -0.182 4.367 4.550 -0.000 0.000 0.200 377 Y C -1.758 174.170 175.900 0.047 0.000 1.373 377 Y CA -0.105 58.055 58.100 0.100 0.000 1.180 377 Y CB -1.811 36.721 38.460 0.119 0.000 1.381 377 Y HN 0.678 nan 8.280 nan 0.000 0.501 378 P HA -0.239 nan 4.420 nan 0.000 0.214 378 P C 1.700 178.983 177.300 -0.029 0.000 1.169 378 P CA 1.764 64.889 63.100 0.041 0.000 0.908 378 P CB 0.211 31.942 31.700 0.053 0.000 0.791 379 L N -1.392 119.740 121.223 -0.151 0.000 2.005 379 L HA -0.116 4.224 4.340 -0.000 0.000 0.207 379 L C 2.540 179.490 176.870 0.132 0.000 1.072 379 L CA 1.735 56.416 54.840 -0.265 0.000 0.744 379 L CB -1.509 40.165 42.059 -0.643 0.000 0.895 379 L HN -0.080 nan 8.230 nan 0.000 0.433 380 I N -1.052 119.650 120.570 0.220 0.000 2.394 380 I HA -0.267 3.903 4.170 -0.000 0.000 0.251 380 I C 2.474 178.674 176.117 0.139 0.000 1.136 380 I CA 0.850 62.283 61.300 0.222 0.000 1.425 380 I CB -0.306 37.786 38.000 0.154 0.000 1.079 380 I HN 0.334 nan 8.210 nan 0.000 0.425 381 Q N 0.890 120.775 119.800 0.141 0.000 2.224 381 Q HA -0.138 4.202 4.340 -0.000 0.000 0.203 381 Q C 2.016 178.070 176.000 0.090 0.000 0.970 381 Q CA 1.772 57.634 55.803 0.099 0.000 0.865 381 Q CB -0.266 28.545 28.738 0.122 0.000 0.922 381 Q HN 0.340 nan 8.270 nan 0.000 0.445 382 T N 0.430 115.052 114.554 0.113 0.000 2.737 382 T HA -0.043 4.307 4.350 -0.000 0.000 0.265 382 T C 1.546 176.324 174.700 0.129 0.000 1.038 382 T CA 1.213 63.382 62.100 0.114 0.000 1.144 382 T CB -0.172 68.771 68.868 0.124 0.000 0.866 382 T HN 0.261 nan 8.240 nan 0.000 0.434 383 L N 0.624 121.951 121.223 0.173 0.000 2.079 383 L HA -0.106 4.234 4.340 -0.000 0.000 0.210 383 L C 2.789 179.689 176.870 0.051 0.000 1.081 383 L CA 1.410 56.310 54.840 0.101 0.000 0.752 383 L CB -0.544 41.562 42.059 0.078 0.000 0.896 383 L HN 0.184 nan 8.230 nan 0.000 0.433 384 R N -0.051 120.478 120.500 0.048 0.000 2.066 384 R HA -0.194 4.146 4.340 -0.000 0.000 0.232 384 R C 2.399 178.713 176.300 0.023 0.000 1.131 384 R CA 1.310 57.424 56.100 0.022 0.000 0.955 384 R CB -0.046 30.261 30.300 0.011 0.000 0.851 384 R HN 0.175 nan 8.270 nan 0.000 0.432 385 Q N 0.489 120.310 119.800 0.034 0.000 2.061 385 Q HA -0.156 4.184 4.340 -0.000 0.000 0.204 385 Q C 1.765 177.782 176.000 0.028 0.000 0.984 385 Q CA 1.897 57.718 55.803 0.030 0.000 0.846 385 Q CB 0.067 28.828 28.738 0.038 0.000 0.902 385 Q HN 0.354 nan 8.270 nan 0.000 0.421 386 E N -0.583 119.638 120.200 0.035 0.000 2.158 386 E HA -0.050 4.300 4.350 -0.000 0.000 0.191 386 E C 0.463 177.074 176.600 0.018 0.000 0.982 386 E CA 0.064 56.482 56.400 0.030 0.000 0.823 386 E CB -0.091 29.635 29.700 0.042 0.000 0.766 386 E HN 0.197 nan 8.360 nan 0.000 0.468 387 L N 0.000 121.231 121.223 0.013 0.000 2.949 387 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 387 L CA 0.000 54.841 54.840 0.002 0.000 0.813 387 L CB 0.000 42.056 42.059 -0.004 0.000 0.961 387 L HN 0.000 nan 8.230 nan 0.000 0.502