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 1ece_1_A DATA FIRST_RESID 1 DATA SEQUENCE AGGGYWHTSG REILDANNVP VRIAGINWFG FETcNYVVHG LWSRDYRSML DATA SEQUENCE DQIKSLGYNT IRLPYSDDIL KPGTMPNSIN FYQMNQDLQG LTSLQVMDKI DATA SEQUENCE VAYAGQIGLR IILDRHRPDc SGQSALWYTS SVSEATWISD LQALAQRYKG DATA SEQUENCE NPTVVGFDLH NEPHDPACWG CGDPSIDWRL AAERAGNAVL SVNPNLLIFV DATA SEQUENCE EGVQSYNGDS YWWGGNLQGA GQYPVVLNVP NRLVYSAHDY ATSVYPQTWF DATA SEQUENCE SDPTFPNNMP GIWNKNWGYL FNQNIAPVWL GEFGTTLQST TDQTWLKTLV DATA SEQUENCE QYLRPTAQYG ADSFQWTFWS WNPDSGDTGG ILKDDWQTVD TVKDGYLAPI DATA SEQUENCE KSSIFDPV 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 1 A HA 0.000 nan 4.320 nan 0.000 0.244 1 A C 0.000 177.694 177.584 0.183 0.000 1.274 1 A CA 0.000 52.089 52.037 0.086 0.000 0.836 1 A CB 0.000 19.017 19.000 0.028 0.000 0.831 2 G N -1.648 107.174 108.800 0.036 0.000 2.176 2 G HA2 0.225 4.185 3.960 -0.000 0.000 0.232 2 G HA3 0.225 4.185 3.960 -0.000 0.000 0.232 2 G C 1.309 176.361 174.900 0.253 0.000 0.986 2 G CA 0.723 45.842 45.100 0.031 0.000 0.643 2 G HN 2.306 nan 8.290 nan 0.000 0.522 3 G N 0.188 109.073 108.800 0.141 0.000 2.432 3 G HA2 0.642 4.602 3.960 -0.000 0.000 0.239 3 G HA3 0.642 4.602 3.960 -0.000 0.000 0.239 3 G C 1.235 176.228 174.900 0.154 0.000 1.291 3 G CA 1.509 46.681 45.100 0.120 0.000 0.863 3 G HN 1.957 nan 8.290 nan 0.000 0.560 4 G N 0.806 109.641 108.800 0.058 0.000 2.752 4 G HA2 -0.174 3.785 3.960 -0.000 0.000 0.234 4 G HA3 -0.174 3.785 3.960 -0.000 0.000 0.234 4 G C -0.206 174.690 174.900 -0.007 0.000 1.367 4 G CA -0.163 44.946 45.100 0.014 0.000 0.879 4 G HN 0.819 nan 8.290 nan 0.000 0.563 5 Y N -0.386 119.962 120.300 0.080 0.000 2.336 5 Y HA 0.495 5.045 4.550 -0.000 0.000 0.331 5 Y C 0.968 177.043 175.900 0.291 0.000 1.211 5 Y CA 0.220 58.335 58.100 0.026 0.000 1.346 5 Y CB 0.573 39.042 38.460 0.015 0.000 1.271 5 Y HN 0.576 nan 8.280 nan 0.000 0.538 6 W N 2.818 124.212 121.300 0.156 0.000 2.367 6 W HA 0.379 5.039 4.660 -0.000 0.000 0.369 6 W C -0.067 176.527 176.519 0.124 0.000 1.276 6 W CA -0.837 56.545 57.345 0.062 0.000 1.415 6 W CB 0.162 29.585 29.460 -0.063 0.000 1.306 6 W HN 0.537 nan 8.180 nan 0.000 0.669 7 H N -2.011 117.191 119.070 0.220 0.000 3.064 7 H HA 0.398 4.954 4.556 -0.000 0.000 0.352 7 H C -0.674 174.683 175.328 0.049 0.000 1.260 7 H CA -0.756 55.348 56.048 0.093 0.000 1.160 7 H CB 1.030 30.828 29.762 0.060 0.000 1.879 7 H HN 0.261 nan 8.280 nan 0.000 0.544 8 T N -0.755 113.847 114.554 0.080 0.000 2.874 8 T HA 0.473 4.823 4.350 -0.000 0.000 0.281 8 T C 0.122 174.864 174.700 0.069 0.000 0.994 8 T CA -0.708 61.397 62.100 0.009 0.000 1.015 8 T CB 1.389 70.263 68.868 0.008 0.000 1.028 8 T HN 0.615 nan 8.240 nan 0.000 0.523 9 S N 0.761 116.471 115.700 0.017 0.000 2.387 9 S HA 0.561 5.031 4.470 -0.000 0.000 0.211 9 S C 0.516 175.116 174.600 -0.001 0.000 1.055 9 S CA 0.389 58.610 58.200 0.034 0.000 1.133 9 S CB -0.370 62.849 63.200 0.031 0.000 1.235 9 S HN 2.012 nan 8.310 nan 0.000 0.425 10 G N 5.316 114.116 108.800 0.000 0.000 2.531 10 G HA2 -0.311 3.649 3.960 -0.000 0.000 0.274 10 G HA3 -0.311 3.649 3.960 -0.000 0.000 0.274 10 G C 0.315 175.198 174.900 -0.028 0.000 1.159 10 G CA 0.322 45.407 45.100 -0.026 0.000 0.969 10 G HN 1.241 nan 8.290 nan 0.000 0.554 11 R N 1.111 121.563 120.500 -0.081 0.000 2.426 11 R HA 0.470 4.810 4.340 -0.000 0.000 0.263 11 R C 0.308 176.642 176.300 0.057 0.000 0.961 11 R CA 0.468 56.537 56.100 -0.051 0.000 1.086 11 R CB 0.165 30.248 30.300 -0.361 0.000 1.186 11 R HN 0.579 nan 8.270 nan 0.000 0.537 12 E N 0.909 121.119 120.200 0.018 0.000 2.320 12 E HA 0.456 4.806 4.350 -0.000 0.000 0.264 12 E C -0.885 175.696 176.600 -0.031 0.000 0.923 12 E CA -1.067 55.343 56.400 0.017 0.000 0.796 12 E CB 2.457 32.146 29.700 -0.017 0.000 1.262 12 E HN 0.052 nan 8.360 nan 0.000 0.428 13 I N 2.002 122.532 120.570 -0.067 0.000 2.441 13 I HA 0.285 4.455 4.170 -0.000 0.000 0.295 13 I C -1.106 174.826 176.117 -0.308 0.000 0.994 13 I CA -0.726 60.489 61.300 -0.143 0.000 1.144 13 I CB 0.939 38.902 38.000 -0.062 0.000 1.314 13 I HN 0.140 nan 8.210 nan 0.000 0.445 14 L N 5.359 126.307 121.223 -0.458 0.000 2.386 14 L HA 0.392 4.732 4.340 -0.000 0.000 0.271 14 L C -0.183 176.343 176.870 -0.573 0.000 0.993 14 L CA -0.529 53.989 54.840 -0.536 0.000 0.819 14 L CB 1.574 43.291 42.059 -0.570 0.000 1.294 14 L HN 0.599 nan 8.230 nan 0.000 0.414 15 D N 1.653 121.752 120.400 -0.501 0.000 2.325 15 D HA 0.233 4.873 4.640 -0.000 0.000 0.262 15 D C 1.076 177.406 176.300 0.051 0.000 1.263 15 D CA 0.239 54.043 54.000 -0.328 0.000 1.020 15 D CB 0.440 41.055 40.800 -0.308 0.000 1.117 15 D HN 0.514 nan 8.370 nan 0.000 0.545 16 A N -0.864 122.058 122.820 0.170 0.000 2.066 16 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 16 A C 1.595 179.261 177.584 0.136 0.000 1.157 16 A CA 0.949 53.106 52.037 0.200 0.000 0.670 16 A CB -0.976 18.128 19.000 0.173 0.000 0.804 16 A HN 0.639 nan 8.150 nan 0.000 0.453 17 N N 0.192 118.940 118.700 0.080 0.000 2.383 17 N HA -0.000 4.740 4.740 -0.000 0.000 0.192 17 N C -0.465 175.075 175.510 0.049 0.000 1.141 17 N CA 0.109 53.191 53.050 0.053 0.000 0.851 17 N CB 0.092 38.596 38.487 0.029 0.000 0.976 17 N HN 0.346 nan 8.380 nan 0.000 0.465 18 N N -0.077 118.668 118.700 0.074 0.000 2.829 18 N HA -0.132 4.608 4.740 -0.000 0.000 0.250 18 N C -1.042 174.451 175.510 -0.028 0.000 1.090 18 N CA 0.416 53.500 53.050 0.057 0.000 0.781 18 N CB -1.342 37.198 38.487 0.089 0.000 1.124 18 N HN -0.006 nan 8.380 nan 0.000 0.559 19 V N 1.160 121.034 119.914 -0.067 0.000 2.432 19 V HA 0.334 4.454 4.120 -0.000 0.000 0.275 19 V C -1.863 174.138 176.094 -0.156 0.000 1.043 19 V CA -1.260 60.990 62.300 -0.083 0.000 0.925 19 V CB 1.497 33.281 31.823 -0.065 0.000 0.985 19 V HN -0.105 nan 8.190 nan 0.000 0.466 20 P HA 0.265 nan 4.420 nan 0.000 0.271 20 P C -0.698 176.501 177.300 -0.168 0.000 1.216 20 P CA 0.098 63.104 63.100 -0.156 0.000 0.771 20 P CB 0.839 32.492 31.700 -0.079 0.000 0.864 21 V N 1.050 120.810 119.914 -0.258 0.000 3.074 21 V HA 0.708 4.828 4.120 -0.000 0.000 0.314 21 V C -0.543 175.485 176.094 -0.110 0.000 1.117 21 V CA -1.130 61.040 62.300 -0.216 0.000 1.014 21 V CB 2.500 33.966 31.823 -0.594 0.000 1.057 21 V HN 0.388 nan 8.190 nan 0.000 0.438 22 R N 1.853 122.384 120.500 0.052 0.000 2.476 22 R HA 0.628 4.968 4.340 -0.000 0.000 0.305 22 R C -1.322 175.088 176.300 0.184 0.000 0.965 22 R CA -0.800 55.366 56.100 0.110 0.000 0.867 22 R CB 1.683 32.065 30.300 0.137 0.000 1.176 22 R HN 0.895 nan 8.270 nan 0.000 0.447 23 I N 3.920 124.585 120.570 0.158 0.000 2.421 23 I HA 0.153 4.323 4.170 -0.000 0.000 0.291 23 I C 0.108 176.138 176.117 -0.145 0.000 1.089 23 I CA 0.302 61.673 61.300 0.119 0.000 1.354 23 I CB 1.249 39.262 38.000 0.021 0.000 1.413 23 I HN 0.626 nan 8.210 nan 0.000 0.513 24 A N 5.799 128.434 122.820 -0.309 0.000 2.763 24 A HA 0.731 5.051 4.320 -0.000 0.000 0.325 24 A C 0.080 177.195 177.584 -0.782 0.000 1.209 24 A CA -0.302 51.120 52.037 -1.025 0.000 0.764 24 A CB 0.429 19.221 19.000 -0.347 0.000 1.120 24 A HN 0.764 nan 8.150 nan 0.000 0.463 25 G N 0.116 108.507 108.800 -0.683 0.000 3.252 25 G HA2 0.706 4.666 3.960 -0.000 0.000 0.181 25 G HA3 0.706 4.666 3.960 -0.000 0.000 0.181 25 G C -1.032 173.841 174.900 -0.046 0.000 1.187 25 G CA -0.518 44.477 45.100 -0.175 0.000 0.886 25 G HN 0.851 nan 8.290 nan 0.000 0.615 26 I N -0.651 119.898 120.570 -0.034 0.000 2.894 26 I HA 0.410 4.580 4.170 -0.000 0.000 0.302 26 I C -1.261 174.886 176.117 0.050 0.000 1.188 26 I CA -0.986 60.286 61.300 -0.045 0.000 1.014 26 I CB 2.455 40.228 38.000 -0.379 0.000 1.242 26 I HN 0.335 nan 8.210 nan 0.000 0.430 27 N N 4.508 123.253 118.700 0.075 0.000 2.455 27 N HA 0.212 4.952 4.740 -0.000 0.000 0.280 27 N C -1.875 173.682 175.510 0.078 0.000 1.055 27 N CA -0.232 52.863 53.050 0.075 0.000 0.961 27 N CB 1.481 39.964 38.487 -0.007 0.000 1.121 27 N HN 0.475 nan 8.380 nan 0.000 0.476 28 W N 6.694 127.951 121.300 -0.072 0.000 2.466 28 W HA 0.303 4.963 4.660 -0.000 0.000 0.303 28 W C -1.264 175.222 176.519 -0.056 0.000 0.999 28 W CA -1.658 55.642 57.345 -0.075 0.000 1.437 28 W CB -0.251 29.170 29.460 -0.065 0.000 1.274 28 W HN 0.327 nan 8.180 nan 0.000 0.417 29 F N 2.870 122.766 119.950 -0.090 0.000 2.378 29 F HA 0.904 5.431 4.527 -0.000 0.000 0.325 29 F C 0.812 176.385 175.800 -0.379 0.000 1.097 29 F CA -0.178 57.681 58.000 -0.234 0.000 1.079 29 F CB 1.557 40.392 39.000 -0.276 0.000 1.240 29 F HN 0.462 nan 8.300 nan 0.000 0.519 30 G N 1.209 109.939 108.800 -0.116 0.000 3.859 30 G HA2 -0.161 3.799 3.960 -0.000 0.000 0.198 30 G HA3 -0.161 3.799 3.960 -0.000 0.000 0.198 30 G C 0.574 175.397 174.900 -0.128 0.000 0.972 30 G CA -0.220 44.659 45.100 -0.367 0.000 0.882 30 G HN 0.565 nan 8.290 nan 0.000 0.364 31 F N 2.822 122.748 119.950 -0.041 0.000 2.408 31 F HA 0.078 4.605 4.527 -0.000 0.000 0.300 31 F C 2.655 178.545 175.800 0.151 0.000 1.090 31 F CA 1.689 59.734 58.000 0.075 0.000 1.427 31 F CB 0.393 39.455 39.000 0.104 0.000 1.070 31 F HN 0.348 nan 8.300 nan 0.000 0.549 32 E N 0.518 120.888 120.200 0.283 0.000 2.447 32 E HA -0.022 4.327 4.350 -0.000 0.000 0.195 32 E C 0.822 177.511 176.600 0.150 0.000 1.028 32 E CA 0.703 57.240 56.400 0.230 0.000 0.876 32 E CB -0.892 28.933 29.700 0.208 0.000 0.885 32 E HN 0.330 nan 8.360 nan 0.000 0.500 33 T N -1.618 112.992 114.554 0.093 0.000 2.824 33 T HA 0.215 4.565 4.350 -0.000 0.000 0.277 33 T C 0.992 175.565 174.700 -0.212 0.000 0.975 33 T CA -0.371 61.748 62.100 0.032 0.000 0.966 33 T CB 1.078 70.033 68.868 0.146 0.000 1.054 33 T HN 0.141 nan 8.240 nan 0.000 0.533 34 c N 1.583 120.020 118.600 -0.271 0.000 2.449 34 c HA 0.237 4.807 4.570 -0.000 0.000 0.322 34 c C 1.827 175.433 174.090 -0.805 0.000 1.309 34 c CA -0.449 55.469 56.329 -0.685 0.000 1.657 34 c CB -2.849 39.511 42.510 -0.249 0.000 1.718 34 c HN 0.869 nan 8.230 nan 0.000 0.596 35 N N -0.788 117.619 118.700 -0.488 0.000 2.322 35 N HA 0.081 4.821 4.740 -0.000 0.000 0.181 35 N C -0.118 175.363 175.510 -0.048 0.000 1.088 35 N CA -0.135 52.820 53.050 -0.159 0.000 0.885 35 N CB 0.061 38.575 38.487 0.046 0.000 1.013 35 N HN 0.441 nan 8.380 nan 0.000 0.472 36 Y N -0.623 119.728 120.300 0.085 0.000 3.825 36 Y HA -0.200 4.350 4.550 -0.000 0.000 0.221 36 Y C -0.518 175.332 175.900 -0.083 0.000 1.195 36 Y CA -0.071 58.081 58.100 0.086 0.000 1.699 36 Y CB -2.094 36.437 38.460 0.118 0.000 1.531 36 Y HN -0.031 nan 8.280 nan 0.000 0.640 37 V N -1.230 118.517 119.914 -0.277 0.000 3.236 37 V HA 0.638 4.758 4.120 -0.000 0.000 0.287 37 V C -0.454 175.115 176.094 -0.874 0.000 1.491 37 V CA -1.007 60.758 62.300 -0.891 0.000 1.037 37 V CB 2.205 33.748 31.823 -0.467 0.000 1.160 37 V HN 0.418 nan 8.190 nan 0.000 0.453 38 V N 2.320 121.475 119.914 -1.266 0.000 2.673 38 V HA 0.348 4.468 4.120 -0.000 0.000 0.303 38 V C 0.601 176.323 176.094 -0.620 0.000 1.046 38 V CA 0.005 61.691 62.300 -1.023 0.000 1.126 38 V CB -0.325 30.488 31.823 -1.685 0.000 0.934 38 V HN 0.914 nan 8.190 nan 0.000 0.487 39 H N 2.680 121.393 119.070 -0.596 0.000 2.671 39 H HA 0.459 5.015 4.556 -0.000 0.000 0.372 39 H C 1.482 176.110 175.328 -1.167 0.000 1.227 39 H CA 0.049 55.645 56.048 -0.754 0.000 1.426 39 H CB 0.907 30.456 29.762 -0.354 0.000 1.480 39 H HN 1.177 nan 8.280 nan 0.000 0.611 40 G N 0.702 107.943 108.800 -2.599 0.000 2.195 40 G HA2 -0.270 3.690 3.960 -0.000 0.000 0.246 40 G HA3 -0.270 3.690 3.960 -0.000 0.000 0.246 40 G C 0.849 174.782 174.900 -1.611 0.000 0.984 40 G CA 0.290 43.577 45.100 -3.020 0.000 0.633 40 G HN 0.522 nan 8.290 nan 0.000 0.525 41 L N 0.030 120.633 121.223 -1.033 0.000 2.650 41 L HA 0.170 4.510 4.340 -0.000 0.000 0.235 41 L C 2.297 178.924 176.870 -0.404 0.000 1.149 41 L CA 0.991 55.531 54.840 -0.502 0.000 0.887 41 L CB -0.592 41.274 42.059 -0.322 0.000 1.021 41 L HN 0.672 nan 8.230 nan 0.000 0.441 42 W N -3.102 117.966 121.300 -0.387 0.000 3.077 42 W HA 0.216 4.876 4.660 -0.000 0.000 0.266 42 W C 1.494 177.862 176.519 -0.251 0.000 1.300 42 W CA -0.151 56.997 57.345 -0.328 0.000 1.586 42 W CB -0.593 28.669 29.460 -0.330 0.000 1.103 42 W HN -0.129 nan 8.180 nan 0.000 0.652 43 S N -0.437 115.160 115.700 -0.173 0.000 2.649 43 S HA 0.290 4.760 4.470 -0.000 0.000 0.246 43 S C 0.357 174.917 174.600 -0.068 0.000 1.057 43 S CA -0.352 57.824 58.200 -0.041 0.000 1.051 43 S CB 0.467 63.677 63.200 0.017 0.000 1.018 43 S HN -0.048 nan 8.310 nan 0.000 0.569 44 R N 1.408 121.818 120.500 -0.149 0.000 2.771 44 R HA 0.351 4.691 4.340 -0.000 0.000 0.274 44 R C -1.481 174.803 176.300 -0.027 0.000 0.987 44 R CA -0.633 55.434 56.100 -0.054 0.000 0.908 44 R CB 0.830 31.116 30.300 -0.022 0.000 1.213 44 R HN 0.166 nan 8.270 nan 0.000 0.468 45 D N 1.474 121.877 120.400 0.004 0.000 2.350 45 D HA -0.000 4.640 4.640 -0.000 0.000 0.249 45 D C 0.926 177.257 176.300 0.052 0.000 1.119 45 D CA -0.022 53.991 54.000 0.021 0.000 0.886 45 D CB 0.890 41.664 40.800 -0.044 0.000 1.195 45 D HN 0.517 nan 8.370 nan 0.000 0.437 46 Y N 4.047 124.355 120.300 0.012 0.000 2.165 46 Y HA -0.171 4.379 4.550 -0.000 0.000 0.286 46 Y C 2.138 178.068 175.900 0.050 0.000 1.155 46 Y CA 1.096 59.261 58.100 0.109 0.000 1.164 46 Y CB -0.484 38.053 38.460 0.129 0.000 0.978 46 Y HN 0.327 nan 8.280 nan 0.000 0.513 47 R N 0.199 120.263 120.500 -0.726 0.000 2.092 47 R HA -0.126 4.214 4.340 -0.000 0.000 0.231 47 R C 2.712 178.859 176.300 -0.256 0.000 1.119 47 R CA 1.311 56.959 56.100 -0.754 0.000 0.970 47 R CB -0.542 29.000 30.300 -1.262 0.000 0.864 47 R HN 0.465 nan 8.270 nan 0.000 0.440 48 S N 0.128 115.718 115.700 -0.182 0.000 2.399 48 S HA -0.084 4.386 4.470 -0.000 0.000 0.231 48 S C 1.925 176.513 174.600 -0.020 0.000 1.022 48 S CA 0.934 59.096 58.200 -0.064 0.000 0.983 48 S CB 0.068 63.244 63.200 -0.039 0.000 0.803 48 S HN 0.172 nan 8.310 nan 0.000 0.480 49 M N 0.538 120.120 119.600 -0.029 0.000 2.123 49 M HA 0.033 4.513 4.480 -0.000 0.000 0.263 49 M C 2.144 178.296 176.300 -0.247 0.000 1.069 49 M CA 1.123 56.367 55.300 -0.093 0.000 1.133 49 M CB -1.072 31.428 32.600 -0.167 0.000 1.356 49 M HN 0.365 nan 8.290 nan 0.000 0.415 50 L N 0.022 121.172 121.223 -0.123 0.000 2.046 50 L HA -0.256 4.083 4.340 -0.000 0.000 0.208 50 L C 2.062 178.896 176.870 -0.061 0.000 1.077 50 L CA 1.135 55.930 54.840 -0.075 0.000 0.747 50 L CB -0.816 41.374 42.059 0.218 0.000 0.896 50 L HN 0.263 nan 8.230 nan 0.000 0.432 51 D N -0.527 119.897 120.400 0.041 0.000 2.178 51 D HA -0.238 4.402 4.640 -0.000 0.000 0.201 51 D C 2.139 178.425 176.300 -0.022 0.000 0.980 51 D CA 1.095 55.112 54.000 0.028 0.000 0.842 51 D CB -0.045 40.795 40.800 0.067 0.000 0.948 51 D HN 0.397 nan 8.370 nan 0.000 0.472 52 Q N -0.066 119.715 119.800 -0.032 0.000 2.187 52 Q HA -0.036 4.304 4.340 -0.000 0.000 0.199 52 Q C 2.257 178.224 176.000 -0.054 0.000 0.957 52 Q CA 0.420 56.235 55.803 0.021 0.000 0.857 52 Q CB 0.101 28.925 28.738 0.143 0.000 0.929 52 Q HN 0.270 nan 8.270 nan 0.000 0.453 53 I N 0.852 121.228 120.570 -0.323 0.000 2.202 53 I HA -0.293 3.877 4.170 -0.000 0.000 0.242 53 I C 2.547 178.595 176.117 -0.115 0.000 1.091 53 I CA 1.325 62.344 61.300 -0.468 0.000 1.368 53 I CB -0.263 37.260 38.000 -0.794 0.000 1.058 53 I HN 0.195 nan 8.210 nan 0.000 0.410 54 K N 0.953 121.282 120.400 -0.118 0.000 2.032 54 K HA -0.195 4.125 4.320 -0.000 0.000 0.209 54 K C 2.221 178.788 176.600 -0.056 0.000 1.048 54 K CA 2.066 58.305 56.287 -0.079 0.000 0.927 54 K CB -0.087 32.362 32.500 -0.084 0.000 0.712 54 K HN 0.131 nan 8.250 nan 0.000 0.441 55 S N 1.322 117.004 115.700 -0.031 0.000 2.374 55 S HA -0.125 4.345 4.470 -0.000 0.000 0.227 55 S C 1.742 176.335 174.600 -0.012 0.000 1.037 55 S CA 1.406 59.597 58.200 -0.014 0.000 1.024 55 S CB -0.258 62.951 63.200 0.014 0.000 0.861 55 S HN 0.315 nan 8.310 nan 0.000 0.456 56 L N 0.389 121.630 121.223 0.029 0.000 2.465 56 L HA 0.071 4.411 4.340 -0.000 0.000 0.224 56 L C 1.869 178.614 176.870 -0.209 0.000 1.145 56 L CA 0.672 55.516 54.840 0.008 0.000 0.834 56 L CB -0.661 41.544 42.059 0.244 0.000 0.944 56 L HN 0.579 nan 8.230 nan 0.000 0.451 57 G N -1.769 106.914 108.800 -0.195 0.000 2.179 57 G HA2 -0.275 3.685 3.960 -0.000 0.000 0.220 57 G HA3 -0.275 3.685 3.960 -0.000 0.000 0.220 57 G C -0.053 174.653 174.900 -0.324 0.000 0.990 57 G CA -0.573 44.370 45.100 -0.262 0.000 0.646 57 G HN 0.206 nan 8.290 nan 0.000 0.517 58 Y N 1.531 121.783 120.300 -0.079 0.000 2.359 58 Y HA 0.381 4.931 4.550 -0.000 0.000 0.330 58 Y C 1.519 177.321 175.900 -0.165 0.000 1.143 58 Y CA 0.117 58.145 58.100 -0.120 0.000 1.318 58 Y CB 0.878 39.265 38.460 -0.122 0.000 1.234 58 Y HN 0.280 nan 8.280 nan 0.000 0.522 59 N N -1.101 117.569 118.700 -0.050 0.000 2.250 59 N HA 0.077 4.817 4.740 -0.000 0.000 0.190 59 N C -0.362 175.228 175.510 0.133 0.000 1.116 59 N CA 0.107 53.101 53.050 -0.093 0.000 0.881 59 N CB 0.493 38.700 38.487 -0.467 0.000 1.006 59 N HN 0.428 nan 8.380 nan 0.000 0.491 60 T N 0.638 115.250 114.554 0.097 0.000 2.909 60 T HA 0.567 4.917 4.350 -0.000 0.000 0.299 60 T C -0.829 173.887 174.700 0.026 0.000 1.073 60 T CA -0.550 61.605 62.100 0.093 0.000 0.999 60 T CB 2.022 70.949 68.868 0.098 0.000 1.098 60 T HN -0.011 nan 8.240 nan 0.000 0.477 61 I N 1.999 122.578 120.570 0.015 0.000 2.418 61 I HA 0.452 4.622 4.170 -0.000 0.000 0.287 61 I C 0.138 176.295 176.117 0.066 0.000 1.008 61 I CA -0.815 60.510 61.300 0.042 0.000 1.104 61 I CB 1.800 39.838 38.000 0.064 0.000 1.264 61 I HN 0.320 nan 8.210 nan 0.000 0.438 62 R N 6.054 126.641 120.500 0.145 0.000 2.234 62 R HA 0.435 4.775 4.340 -0.000 0.000 0.324 62 R C -1.385 175.025 176.300 0.183 0.000 1.054 62 R CA -0.571 55.651 56.100 0.204 0.000 0.912 62 R CB 0.773 31.286 30.300 0.355 0.000 1.030 62 R HN 0.470 nan 8.270 nan 0.000 0.455 63 L N 8.254 129.562 121.223 0.141 0.000 2.313 63 L HA 0.463 4.802 4.340 -0.000 0.000 0.273 63 L C -2.397 174.598 176.870 0.208 0.000 1.028 63 L CA -2.330 52.595 54.840 0.141 0.000 0.871 63 L CB 1.608 43.692 42.059 0.040 0.000 1.242 63 L HN 0.592 nan 8.230 nan 0.000 0.434 64 P HA 0.211 nan 4.420 nan 0.000 0.271 64 P C -1.711 175.783 177.300 0.323 0.000 1.216 64 P CA 0.300 63.527 63.100 0.213 0.000 0.771 64 P CB 0.434 32.100 31.700 -0.056 0.000 0.864 65 Y N -0.009 120.423 120.300 0.219 0.000 2.615 65 Y HA 0.786 5.336 4.550 -0.000 0.000 0.341 65 Y C -0.815 175.248 175.900 0.272 0.000 1.089 65 Y CA -1.394 56.843 58.100 0.230 0.000 1.049 65 Y CB 1.032 39.563 38.460 0.119 0.000 1.296 65 Y HN 0.385 nan 8.280 nan 0.000 0.470 66 S N -0.351 115.506 115.700 0.262 0.000 2.568 66 S HA 0.339 4.809 4.470 -0.000 0.000 0.293 66 S C -0.618 174.176 174.600 0.324 0.000 1.089 66 S CA -0.547 57.752 58.200 0.166 0.000 0.945 66 S CB 1.613 64.940 63.200 0.212 0.000 1.077 66 S HN 0.726 nan 8.310 nan 0.000 0.485 67 D N 1.241 121.803 120.400 0.269 0.000 2.389 67 D HA -0.038 4.602 4.640 -0.000 0.000 0.221 67 D C 0.699 177.162 176.300 0.270 0.000 0.974 67 D CA 0.952 55.145 54.000 0.322 0.000 0.923 67 D CB -0.022 40.945 40.800 0.278 0.000 0.892 67 D HN 0.532 nan 8.370 nan 0.000 0.518 68 D N 0.258 120.823 120.400 0.276 0.000 2.144 68 D HA -0.103 4.537 4.640 -0.000 0.000 0.199 68 D C 2.131 178.549 176.300 0.197 0.000 0.984 68 D CA 0.527 54.674 54.000 0.245 0.000 0.834 68 D CB -0.255 40.771 40.800 0.376 0.000 0.955 68 D HN 0.455 nan 8.370 nan 0.000 0.465 69 I N -1.889 118.853 120.570 0.285 0.000 3.083 69 I HA -0.098 4.072 4.170 -0.000 0.000 0.273 69 I C 1.316 177.515 176.117 0.136 0.000 1.297 69 I CA 0.806 62.240 61.300 0.224 0.000 1.452 69 I CB -0.154 38.039 38.000 0.321 0.000 1.078 69 I HN -0.143 nan 8.210 nan 0.000 0.484 70 L N 0.811 122.123 121.223 0.147 0.000 2.607 70 L HA 0.254 4.594 4.340 -0.000 0.000 0.228 70 L C 0.806 177.715 176.870 0.066 0.000 1.123 70 L CA 0.385 55.284 54.840 0.098 0.000 0.890 70 L CB -0.160 41.975 42.059 0.127 0.000 1.103 70 L HN 0.076 nan 8.230 nan 0.000 0.468 71 K N 1.021 121.456 120.400 0.058 0.000 2.322 71 K HA 0.212 4.532 4.320 -0.000 0.000 0.283 71 K C -2.221 174.380 176.600 0.003 0.000 1.042 71 K CA -1.858 54.447 56.287 0.030 0.000 0.958 71 K CB 0.263 32.776 32.500 0.022 0.000 0.984 71 K HN -0.208 nan 8.250 nan 0.000 0.473 72 P HA -0.113 nan 4.420 nan 0.000 0.261 72 P C 0.469 177.757 177.300 -0.019 0.000 1.173 72 P CA 0.910 64.006 63.100 -0.006 0.000 0.760 72 P CB 0.385 32.084 31.700 -0.002 0.000 0.783 73 G N 1.869 110.658 108.800 -0.020 0.000 2.168 73 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.257 73 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.257 73 G C 0.282 175.151 174.900 -0.052 0.000 0.997 73 G CA 0.152 45.236 45.100 -0.027 0.000 0.708 73 G HN 0.583 nan 8.290 nan 0.000 0.520 74 T N 2.219 116.728 114.554 -0.075 0.000 2.834 74 T HA 0.542 4.892 4.350 -0.000 0.000 0.298 74 T C 0.787 175.431 174.700 -0.094 0.000 0.966 74 T CA 0.328 62.328 62.100 -0.167 0.000 1.141 74 T CB 0.717 69.447 68.868 -0.230 0.000 0.905 74 T HN 0.264 nan 8.240 nan 0.000 0.535 75 M N 4.036 123.581 119.600 -0.091 0.000 2.578 75 M HA 0.425 4.905 4.480 -0.000 0.000 0.321 75 M C -2.504 173.857 176.300 0.102 0.000 1.182 75 M CA -2.672 52.640 55.300 0.021 0.000 0.965 75 M CB 1.400 34.020 32.600 0.034 0.000 1.694 75 M HN 0.192 nan 8.290 nan 0.000 0.461 76 P HA 0.190 nan 4.420 nan 0.000 0.274 76 P C -0.399 176.991 177.300 0.150 0.000 1.246 76 P CA -0.007 63.185 63.100 0.153 0.000 0.795 76 P CB 0.377 32.117 31.700 0.067 0.000 1.006 77 N N -2.173 116.605 118.700 0.129 0.000 2.217 77 N HA 0.071 4.811 4.740 -0.000 0.000 0.239 77 N C -0.621 174.903 175.510 0.024 0.000 1.330 77 N CA -0.294 52.810 53.050 0.091 0.000 0.838 77 N CB -0.210 38.356 38.487 0.131 0.000 1.287 77 N HN 0.125 nan 8.380 nan 0.000 0.498 78 S N -0.340 115.362 115.700 0.003 0.000 2.694 78 S HA 0.457 4.926 4.470 -0.000 0.000 0.232 78 S C -0.517 174.079 174.600 -0.007 0.000 1.017 78 S CA -0.676 57.543 58.200 0.032 0.000 1.139 78 S CB -0.617 62.671 63.200 0.147 0.000 1.247 78 S HN 0.210 nan 8.310 nan 0.000 0.452 79 I N 1.970 122.415 120.570 -0.208 0.000 2.530 79 I HA 0.479 4.648 4.170 -0.000 0.000 0.297 79 I C -0.421 175.304 176.117 -0.653 0.000 1.011 79 I CA -0.822 60.207 61.300 -0.452 0.000 1.107 79 I CB 1.766 39.358 38.000 -0.680 0.000 1.285 79 I HN 0.305 nan 8.210 nan 0.000 0.436 80 N N 4.726 123.092 118.700 -0.558 0.000 2.408 80 N HA 0.312 5.052 4.740 -0.000 0.000 0.280 80 N C -0.659 174.518 175.510 -0.555 0.000 1.002 80 N CA -0.310 52.444 53.050 -0.493 0.000 0.907 80 N CB 1.235 39.606 38.487 -0.192 0.000 1.161 80 N HN 0.378 nan 8.380 nan 0.000 0.488 81 F N 2.317 122.126 119.950 -0.236 0.000 2.639 81 F HA 0.291 4.818 4.527 -0.000 0.000 0.300 81 F C -0.307 175.463 175.800 -0.050 0.000 1.109 81 F CA -0.459 57.460 58.000 -0.134 0.000 1.335 81 F CB -0.167 38.763 39.000 -0.117 0.000 1.014 81 F HN 0.380 nan 8.300 nan 0.000 0.537 82 Y N 1.597 121.977 120.300 0.133 0.000 2.425 82 Y HA 0.276 4.826 4.550 -0.000 0.000 0.347 82 Y C 0.930 176.871 175.900 0.068 0.000 0.976 82 Y CA -1.430 56.725 58.100 0.093 0.000 1.190 82 Y CB 0.198 38.694 38.460 0.060 0.000 1.136 82 Y HN 0.155 nan 8.280 nan 0.000 0.517 83 Q N 0.984 120.922 119.800 0.229 0.000 2.452 83 Q HA -0.240 4.100 4.340 -0.000 0.000 0.248 83 Q C -0.603 175.461 176.000 0.108 0.000 0.874 83 Q CA 1.324 57.207 55.803 0.133 0.000 1.208 83 Q CB -1.915 26.884 28.738 0.102 0.000 1.569 83 Q HN 0.960 nan 8.270 nan 0.000 0.579 84 M N -4.635 115.041 119.600 0.128 0.000 2.694 84 M HA 0.474 4.954 4.480 -0.000 0.000 0.276 84 M C -0.356 176.037 176.300 0.154 0.000 1.167 84 M CA -0.637 54.723 55.300 0.101 0.000 0.849 84 M CB 1.181 33.820 32.600 0.064 0.000 1.705 84 M HN -0.108 nan 8.290 nan 0.000 0.504 85 N N 0.065 118.874 118.700 0.181 0.000 2.681 85 N HA -0.225 4.515 4.740 -0.000 0.000 0.250 85 N C 0.300 176.023 175.510 0.356 0.000 1.133 85 N CA 1.746 54.969 53.050 0.289 0.000 0.732 85 N CB -1.297 37.303 38.487 0.188 0.000 1.107 85 N HN 0.877 nan 8.380 nan 0.000 0.559 86 Q N 0.538 120.482 119.800 0.239 0.000 2.248 86 Q HA -0.145 4.195 4.340 -0.000 0.000 0.208 86 Q C 1.495 177.547 176.000 0.087 0.000 0.984 86 Q CA 1.804 57.702 55.803 0.157 0.000 0.875 86 Q CB -0.145 28.653 28.738 0.099 0.000 0.910 86 Q HN 0.646 nan 8.270 nan 0.000 0.433 87 D N -0.290 120.189 120.400 0.131 0.000 2.340 87 D HA -0.063 4.577 4.640 -0.000 0.000 0.220 87 D C 1.106 177.446 176.300 0.066 0.000 1.039 87 D CA 0.289 54.343 54.000 0.088 0.000 0.866 87 D CB 0.070 40.942 40.800 0.119 0.000 0.913 87 D HN 0.321 nan 8.370 nan 0.000 0.523 88 L N -0.411 120.879 121.223 0.111 0.000 2.585 88 L HA 0.140 4.480 4.340 -0.000 0.000 0.226 88 L C 1.216 178.119 176.870 0.054 0.000 1.113 88 L CA -0.241 54.657 54.840 0.098 0.000 0.876 88 L CB -0.106 42.042 42.059 0.148 0.000 1.072 88 L HN -0.066 nan 8.230 nan 0.000 0.468 89 Q N 0.854 120.526 119.800 -0.214 0.000 2.274 89 Q HA 0.202 4.542 4.340 -0.000 0.000 0.280 89 Q C 1.157 176.969 176.000 -0.313 0.000 1.047 89 Q CA 1.042 56.434 55.803 -0.685 0.000 0.907 89 Q CB 0.521 28.687 28.738 -0.954 0.000 1.171 89 Q HN 0.349 nan 8.270 nan 0.000 0.381 90 G N 3.251 111.906 108.800 -0.242 0.000 2.179 90 G HA2 -0.254 3.706 3.960 -0.000 0.000 0.260 90 G HA3 -0.254 3.706 3.960 -0.000 0.000 0.260 90 G C -0.121 174.749 174.900 -0.050 0.000 0.977 90 G CA 0.208 45.237 45.100 -0.118 0.000 0.641 90 G HN 0.529 nan 8.290 nan 0.000 0.533 91 L N 1.602 122.811 121.223 -0.023 0.000 2.357 91 L HA 0.595 4.935 4.340 -0.000 0.000 0.273 91 L C 1.468 178.358 176.870 0.034 0.000 1.080 91 L CA -0.365 54.479 54.840 0.007 0.000 0.803 91 L CB 1.247 43.314 42.059 0.013 0.000 1.174 91 L HN 0.343 nan 8.230 nan 0.000 0.443 92 T N -1.839 112.734 114.554 0.032 0.000 2.788 92 T HA 0.109 4.459 4.350 -0.000 0.000 0.287 92 T C 1.209 175.961 174.700 0.087 0.000 1.007 92 T CA -0.582 61.544 62.100 0.044 0.000 1.005 92 T CB 1.217 70.099 68.868 0.023 0.000 1.012 92 T HN 0.554 nan 8.240 nan 0.000 0.530 93 S N 0.242 116.016 115.700 0.123 0.000 2.374 93 S HA -0.103 4.367 4.470 -0.000 0.000 0.227 93 S C 1.968 176.713 174.600 0.242 0.000 1.037 93 S CA 1.211 59.562 58.200 0.252 0.000 1.024 93 S CB -0.723 62.666 63.200 0.315 0.000 0.861 93 S HN 0.584 nan 8.310 nan 0.000 0.456 94 L N 0.977 122.266 121.223 0.110 0.000 2.046 94 L HA -0.180 4.160 4.340 -0.000 0.000 0.208 94 L C 2.712 179.609 176.870 0.044 0.000 1.077 94 L CA 1.335 56.197 54.840 0.037 0.000 0.747 94 L CB -0.469 41.589 42.059 -0.003 0.000 0.896 94 L HN 0.386 nan 8.230 nan 0.000 0.432 95 Q N -1.066 118.762 119.800 0.047 0.000 2.167 95 Q HA -0.160 4.179 4.340 -0.000 0.000 0.202 95 Q C 2.231 178.257 176.000 0.043 0.000 0.970 95 Q CA 1.115 56.941 55.803 0.039 0.000 0.855 95 Q CB -0.004 28.749 28.738 0.025 0.000 0.911 95 Q HN 0.350 nan 8.270 nan 0.000 0.438 96 V N 0.769 120.725 119.914 0.070 0.000 2.548 96 V HA -0.235 3.884 4.120 -0.000 0.000 0.249 96 V C 2.111 178.259 176.094 0.090 0.000 1.055 96 V CA 1.440 63.766 62.300 0.044 0.000 1.065 96 V CB -0.362 31.502 31.823 0.069 0.000 0.681 96 V HN 0.449 nan 8.190 nan 0.000 0.462 97 M N 0.005 119.683 119.600 0.131 0.000 2.132 97 M HA -0.178 4.302 4.480 -0.000 0.000 0.263 97 M C 1.835 178.149 176.300 0.023 0.000 1.065 97 M CA 1.935 57.229 55.300 -0.010 0.000 1.122 97 M CB -0.301 32.118 32.600 -0.302 0.000 1.365 97 M HN 0.285 nan 8.290 nan 0.000 0.411 98 D N 0.717 121.177 120.400 0.099 0.000 2.149 98 D HA -0.174 4.465 4.640 -0.000 0.000 0.198 98 D C 1.929 178.284 176.300 0.092 0.000 0.990 98 D CA 1.107 55.201 54.000 0.155 0.000 0.839 98 D CB -0.291 40.594 40.800 0.142 0.000 0.948 98 D HN 0.361 nan 8.370 nan 0.000 0.460 99 K N 0.380 120.810 120.400 0.050 0.000 2.057 99 K HA -0.018 4.302 4.320 -0.000 0.000 0.206 99 K C 2.396 179.089 176.600 0.155 0.000 1.050 99 K CA 0.356 56.681 56.287 0.064 0.000 0.935 99 K CB -0.315 32.116 32.500 -0.116 0.000 0.715 99 K HN 0.269 nan 8.250 nan 0.000 0.439 100 I N 0.797 121.413 120.570 0.076 0.000 2.226 100 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 100 I C 2.320 178.522 176.117 0.142 0.000 1.100 100 I CA 0.818 62.233 61.300 0.192 0.000 1.374 100 I CB -0.205 37.874 38.000 0.133 0.000 1.057 100 I HN -0.142 nan 8.210 nan 0.000 0.413 101 V N 0.959 120.873 119.914 0.000 0.000 2.343 101 V HA -0.295 3.825 4.120 -0.000 0.000 0.247 101 V C 2.663 178.737 176.094 -0.034 0.000 1.051 101 V CA 2.016 64.245 62.300 -0.118 0.000 1.036 101 V CB -0.856 30.742 31.823 -0.375 0.000 0.654 101 V HN 0.493 nan 8.190 nan 0.000 0.451 102 A N -1.144 121.708 122.820 0.053 0.000 1.873 102 A HA -0.252 4.068 4.320 -0.000 0.000 0.215 102 A C 2.162 179.824 177.584 0.130 0.000 1.186 102 A CA 1.987 54.076 52.037 0.088 0.000 0.616 102 A CB -0.736 18.340 19.000 0.128 0.000 0.823 102 A HN 0.602 nan 8.150 nan 0.000 0.442 103 Y N 0.526 120.885 120.300 0.098 0.000 2.263 103 Y HA 0.034 4.584 4.550 -0.000 0.000 0.292 103 Y C 2.635 178.560 175.900 0.042 0.000 1.130 103 Y CA 0.745 58.894 58.100 0.082 0.000 1.179 103 Y CB -0.497 38.038 38.460 0.126 0.000 0.998 103 Y HN 0.307 nan 8.280 nan 0.000 0.532 104 A N -0.036 122.798 122.820 0.024 0.000 1.908 104 A HA -0.121 4.198 4.320 -0.000 0.000 0.218 104 A C 2.504 180.014 177.584 -0.123 0.000 1.181 104 A CA 1.786 53.786 52.037 -0.062 0.000 0.627 104 A CB -1.634 17.369 19.000 0.006 0.000 0.818 104 A HN 0.557 nan 8.150 nan 0.000 0.445 105 G N -0.847 107.892 108.800 -0.102 0.000 2.433 105 G HA2 -0.248 3.712 3.960 -0.000 0.000 0.216 105 G HA3 -0.248 3.712 3.960 -0.000 0.000 0.216 105 G C 1.580 176.411 174.900 -0.115 0.000 1.186 105 G CA 0.991 46.030 45.100 -0.101 0.000 0.779 105 G HN 0.631 nan 8.290 nan 0.000 0.543 106 Q N 0.148 119.859 119.800 -0.148 0.000 2.112 106 Q HA -0.135 4.205 4.340 -0.000 0.000 0.206 106 Q C 2.527 178.399 176.000 -0.213 0.000 0.987 106 Q CA 1.595 57.300 55.803 -0.165 0.000 0.858 106 Q CB -0.393 28.244 28.738 -0.168 0.000 0.905 106 Q HN 0.827 nan 8.270 nan 0.000 0.420 107 I N -3.733 116.634 120.570 -0.339 0.000 3.564 107 I HA 0.274 4.444 4.170 -0.000 0.000 0.294 107 I C 0.824 176.857 176.117 -0.141 0.000 1.289 107 I CA 0.693 61.828 61.300 -0.274 0.000 1.325 107 I CB -0.131 37.634 38.000 -0.392 0.000 1.039 107 I HN 0.212 nan 8.210 nan 0.000 0.474 108 G N 1.692 110.441 108.800 -0.085 0.000 2.140 108 G HA2 -0.170 3.790 3.960 -0.000 0.000 0.211 108 G HA3 -0.170 3.790 3.960 -0.000 0.000 0.211 108 G C -0.229 174.719 174.900 0.080 0.000 1.013 108 G CA 0.012 45.118 45.100 0.009 0.000 0.705 108 G HN 0.387 nan 8.290 nan 0.000 0.508 109 L N -0.667 120.583 121.223 0.044 0.000 2.304 109 L HA 0.864 5.204 4.340 -0.000 0.000 0.268 109 L C 0.520 177.446 176.870 0.094 0.000 1.010 109 L CA -1.382 53.519 54.840 0.101 0.000 0.813 109 L CB 1.433 43.492 42.059 0.001 0.000 1.315 109 L HN -0.005 nan 8.230 nan 0.000 0.445 110 R N 1.020 121.578 120.500 0.097 0.000 2.854 110 R HA 0.709 5.049 4.340 -0.000 0.000 0.271 110 R C -1.210 175.010 176.300 -0.134 0.000 0.994 110 R CA -0.784 55.256 56.100 -0.100 0.000 0.945 110 R CB 2.169 32.322 30.300 -0.246 0.000 1.194 110 R HN 0.473 nan 8.270 nan 0.000 0.476 111 I N 1.951 122.380 120.570 -0.235 0.000 2.545 111 I HA 0.466 4.636 4.170 -0.000 0.000 0.292 111 I C -0.354 175.595 176.117 -0.280 0.000 1.040 111 I CA -0.665 60.505 61.300 -0.217 0.000 1.068 111 I CB 2.254 40.121 38.000 -0.222 0.000 1.251 111 I HN 0.300 nan 8.210 nan 0.000 0.424 112 I N 6.491 126.922 120.570 -0.232 0.000 2.410 112 I HA 0.353 4.523 4.170 -0.000 0.000 0.286 112 I C -0.520 175.503 176.117 -0.157 0.000 1.009 112 I CA -0.572 60.566 61.300 -0.270 0.000 1.111 112 I CB 1.516 39.267 38.000 -0.414 0.000 1.262 112 I HN 0.286 nan 8.210 nan 0.000 0.443 113 L N 5.462 126.517 121.223 -0.280 0.000 2.380 113 L HA 0.249 4.589 4.340 -0.000 0.000 0.273 113 L C -0.280 176.724 176.870 0.223 0.000 1.138 113 L CA 0.055 54.821 54.840 -0.123 0.000 0.832 113 L CB 0.640 42.417 42.059 -0.469 0.000 1.124 113 L HN 0.584 nan 8.230 nan 0.000 0.454 114 D N 3.092 123.743 120.400 0.418 0.000 2.505 114 D HA 0.089 4.729 4.640 -0.000 0.000 0.250 114 D C -0.246 176.233 176.300 0.298 0.000 1.164 114 D CA -0.680 53.580 54.000 0.434 0.000 0.870 114 D CB 1.015 42.056 40.800 0.401 0.000 1.160 114 D HN 0.149 nan 8.370 nan 0.000 0.549 115 R N 3.342 123.965 120.500 0.205 0.000 2.605 115 R HA 0.036 4.376 4.340 -0.000 0.000 0.271 115 R C 0.053 176.325 176.300 -0.046 0.000 1.418 115 R CA 0.145 56.099 56.100 -0.244 0.000 1.102 115 R CB -0.613 29.814 30.300 0.210 0.000 1.131 115 R HN 0.691 nan 8.270 nan 0.000 0.554 116 H N 2.055 121.028 119.070 -0.162 0.000 2.436 116 H HA 0.152 4.708 4.556 -0.000 0.000 0.294 116 H C -0.068 175.193 175.328 -0.111 0.000 1.048 116 H CA 1.404 57.405 56.048 -0.078 0.000 1.353 116 H CB 0.473 30.258 29.762 0.037 0.000 1.414 116 H HN 0.355 nan 8.280 nan 0.000 0.536 117 R N -1.412 119.097 120.500 0.014 0.000 2.668 117 R HA 0.172 4.512 4.340 -0.000 0.000 0.272 117 R C -2.298 174.033 176.300 0.051 0.000 1.019 117 R CA -1.733 54.377 56.100 0.017 0.000 0.894 117 R CB 1.912 32.261 30.300 0.081 0.000 1.228 117 R HN -0.037 nan 8.270 nan 0.000 0.460 118 P HA -0.136 nan 4.420 nan 0.000 0.218 118 P C -0.674 176.691 177.300 0.108 0.000 1.149 118 P CA 1.394 64.542 63.100 0.080 0.000 0.817 118 P CB 0.188 31.902 31.700 0.023 0.000 0.785 119 D N -3.702 116.757 120.400 0.099 0.000 2.602 119 D HA 0.053 4.693 4.640 -0.000 0.000 0.236 119 D C 0.593 176.970 176.300 0.128 0.000 1.209 119 D CA -0.944 53.135 54.000 0.131 0.000 0.831 119 D CB -0.103 40.767 40.800 0.116 0.000 1.478 119 D HN -0.018 nan 8.370 nan 0.000 0.438 120 c N -0.051 118.646 118.600 0.162 0.000 2.421 120 c HA -0.024 4.546 4.570 -0.000 0.000 0.296 120 c C 1.838 175.974 174.090 0.077 0.000 1.470 120 c CA 0.707 57.105 56.329 0.115 0.000 1.779 120 c CB -1.735 40.815 42.510 0.066 0.000 1.715 120 c HN 0.498 nan 8.230 nan 0.000 0.564 121 S N 0.561 116.308 115.700 0.077 0.000 2.387 121 S HA 0.426 4.896 4.470 -0.000 0.000 0.226 121 S C 1.079 175.709 174.600 0.049 0.000 1.026 121 S CA 1.173 59.407 58.200 0.057 0.000 0.972 121 S CB -0.207 63.023 63.200 0.050 0.000 0.814 121 S HN 1.198 nan 8.310 nan 0.000 0.477 122 G N -0.238 108.591 108.800 0.048 0.000 2.322 122 G HA2 0.405 4.365 3.960 -0.000 0.000 0.295 122 G HA3 0.405 4.365 3.960 -0.000 0.000 0.295 122 G C -1.910 173.004 174.900 0.023 0.000 1.369 122 G CA -0.977 44.147 45.100 0.040 0.000 0.821 122 G HN 0.132 nan 8.290 nan 0.000 0.536 123 Q N -0.695 119.114 119.800 0.014 0.000 2.318 123 Q HA 0.606 4.946 4.340 -0.000 0.000 0.222 123 Q C 0.063 176.034 176.000 -0.049 0.000 1.003 123 Q CA -0.223 55.564 55.803 -0.027 0.000 0.936 123 Q CB 1.395 30.127 28.738 -0.010 0.000 1.204 123 Q HN 0.757 nan 8.270 nan 0.000 0.524 124 S N -1.213 114.434 115.700 -0.088 0.000 2.549 124 S HA 0.609 5.079 4.470 -0.000 0.000 0.280 124 S C 0.087 174.487 174.600 -0.334 0.000 1.109 124 S CA -0.412 57.668 58.200 -0.200 0.000 0.905 124 S CB 1.717 64.786 63.200 -0.218 0.000 1.081 124 S HN 0.686 nan 8.310 nan 0.000 0.477 125 A N 2.190 124.606 122.820 -0.675 0.000 1.898 125 A HA 0.258 4.578 4.320 -0.000 0.000 0.216 125 A C 0.875 178.034 177.584 -0.709 0.000 1.181 125 A CA 0.736 52.096 52.037 -1.128 0.000 0.620 125 A CB -0.670 17.640 19.000 -1.150 0.000 0.819 125 A HN 0.788 nan 8.150 nan 0.000 0.442 126 L N -2.341 118.444 121.223 -0.730 0.000 2.400 126 L HA 0.238 4.577 4.340 -0.000 0.000 0.264 126 L C 0.994 177.228 176.870 -1.060 0.000 1.061 126 L CA -0.702 53.595 54.840 -0.904 0.000 0.799 126 L CB 0.724 41.989 42.059 -1.322 0.000 1.240 126 L HN 0.765 nan 8.230 nan 0.000 0.461 127 W N 0.240 120.940 121.300 -1.001 0.000 3.292 127 W HA 0.204 4.864 4.660 -0.000 0.000 0.263 127 W C -0.271 175.763 176.519 -0.809 0.000 1.318 127 W CA -0.699 55.851 57.345 -1.326 0.000 1.663 127 W CB -0.831 27.846 29.460 -1.305 0.000 1.114 127 W HN 0.354 nan 8.180 nan 0.000 0.706 128 Y N -0.783 118.974 120.300 -0.906 0.000 2.624 128 Y HA 0.787 5.337 4.550 -0.000 0.000 0.334 128 Y C -0.363 175.282 175.900 -0.425 0.000 1.155 128 Y CA -1.486 56.294 58.100 -0.534 0.000 1.046 128 Y CB 0.712 38.888 38.460 -0.473 0.000 1.316 128 Y HN -0.035 nan 8.280 nan 0.000 0.457 129 T N -2.458 111.996 114.554 -0.167 0.000 2.804 129 T HA 0.372 4.721 4.350 -0.000 0.000 0.290 129 T C 0.650 175.349 174.700 -0.001 0.000 1.099 129 T CA -0.294 61.700 62.100 -0.177 0.000 1.011 129 T CB 1.013 69.792 68.868 -0.148 0.000 1.291 129 T HN 1.136 nan 8.240 nan 0.000 0.523 130 S N 0.707 116.392 115.700 -0.025 0.000 2.399 130 S HA -0.135 4.335 4.470 -0.000 0.000 0.231 130 S C 1.967 176.581 174.600 0.022 0.000 1.022 130 S CA 1.461 59.666 58.200 0.009 0.000 0.983 130 S CB -1.096 62.097 63.200 -0.011 0.000 0.803 130 S HN 0.957 nan 8.310 nan 0.000 0.480 131 S N 0.283 115.992 115.700 0.016 0.000 2.486 131 S HA 0.280 4.750 4.470 -0.000 0.000 0.220 131 S C 0.433 175.065 174.600 0.054 0.000 1.011 131 S CA -0.126 58.093 58.200 0.033 0.000 0.921 131 S CB -0.087 63.130 63.200 0.029 0.000 0.785 131 S HN 0.331 nan 8.310 nan 0.000 0.517 132 V N 3.716 123.665 119.914 0.057 0.000 2.289 132 V HA 0.447 4.567 4.120 -0.000 0.000 0.272 132 V C 0.316 176.483 176.094 0.121 0.000 1.026 132 V CA -0.792 61.565 62.300 0.094 0.000 0.807 132 V CB 0.555 32.436 31.823 0.097 0.000 1.044 132 V HN 0.524 nan 8.190 nan 0.000 0.443 133 S N 2.116 117.894 115.700 0.130 0.000 2.589 133 S HA 0.136 4.606 4.470 -0.000 0.000 0.265 133 S C 1.146 175.879 174.600 0.222 0.000 1.342 133 S CA 0.174 58.457 58.200 0.138 0.000 1.005 133 S CB 1.170 64.422 63.200 0.087 0.000 0.909 133 S HN 0.792 nan 8.310 nan 0.000 0.555 134 E N 0.884 121.206 120.200 0.203 0.000 2.153 134 E HA -0.169 4.181 4.350 -0.000 0.000 0.194 134 E C 2.044 178.906 176.600 0.435 0.000 0.988 134 E CA 1.126 57.783 56.400 0.428 0.000 0.811 134 E CB -0.527 29.375 29.700 0.337 0.000 0.746 134 E HN 0.829 nan 8.360 nan 0.000 0.466 135 A N 0.033 122.995 122.820 0.237 0.000 1.968 135 A HA -0.106 4.214 4.320 -0.000 0.000 0.217 135 A C 2.295 179.984 177.584 0.176 0.000 1.169 135 A CA 1.644 53.781 52.037 0.167 0.000 0.638 135 A CB -0.566 18.491 19.000 0.095 0.000 0.812 135 A HN 0.275 nan 8.150 nan 0.000 0.446 136 T N -1.480 113.201 114.554 0.212 0.000 2.737 136 T HA -0.162 4.188 4.350 -0.000 0.000 0.265 136 T C 1.478 176.356 174.700 0.297 0.000 1.038 136 T CA 1.379 63.603 62.100 0.207 0.000 1.144 136 T CB -0.345 68.640 68.868 0.194 0.000 0.866 136 T HN 0.750 nan 8.240 nan 0.000 0.434 137 W N 2.088 123.486 121.300 0.163 0.000 2.302 137 W HA -0.162 4.498 4.660 -0.000 0.000 0.320 137 W C 1.744 178.365 176.519 0.171 0.000 1.241 137 W CA 0.945 58.414 57.345 0.206 0.000 1.264 137 W CB -0.905 28.718 29.460 0.272 0.000 1.154 137 W HN 0.228 nan 8.180 nan 0.000 0.483 138 I N 0.065 120.680 120.570 0.074 0.000 2.252 138 I HA -0.315 3.854 4.170 -0.000 0.000 0.245 138 I C 2.603 178.657 176.117 -0.105 0.000 1.102 138 I CA 1.635 62.809 61.300 -0.209 0.000 1.385 138 I CB -0.888 37.012 38.000 -0.167 0.000 1.064 138 I HN -0.119 nan 8.210 nan 0.000 0.414 139 S N 0.482 116.184 115.700 0.002 0.000 2.368 139 S HA -0.202 4.268 4.470 -0.000 0.000 0.225 139 S C 1.593 176.196 174.600 0.005 0.000 1.030 139 S CA 1.549 59.749 58.200 -0.000 0.000 0.999 139 S CB -0.311 62.911 63.200 0.036 0.000 0.844 139 S HN 0.426 nan 8.310 nan 0.000 0.459 140 D N 1.389 121.834 120.400 0.074 0.000 2.117 140 D HA -0.027 4.613 4.640 -0.000 0.000 0.197 140 D C 1.889 178.235 176.300 0.076 0.000 0.987 140 D CA 0.695 54.768 54.000 0.122 0.000 0.829 140 D CB -0.374 40.581 40.800 0.259 0.000 0.961 140 D HN 0.295 nan 8.370 nan 0.000 0.460 141 L N 0.425 121.644 121.223 -0.007 0.000 2.046 141 L HA -0.190 4.150 4.340 -0.000 0.000 0.208 141 L C 2.519 179.207 176.870 -0.304 0.000 1.077 141 L CA 1.163 55.897 54.840 -0.176 0.000 0.747 141 L CB -0.351 41.497 42.059 -0.352 0.000 0.896 141 L HN 0.048 nan 8.230 nan 0.000 0.432 142 Q N -0.466 119.200 119.800 -0.224 0.000 2.124 142 Q HA -0.197 4.142 4.340 -0.000 0.000 0.202 142 Q C 2.412 178.332 176.000 -0.132 0.000 0.977 142 Q CA 1.518 57.203 55.803 -0.197 0.000 0.850 142 Q CB -0.221 28.429 28.738 -0.147 0.000 0.901 142 Q HN 0.563 nan 8.270 nan 0.000 0.429 143 A N 1.121 123.890 122.820 -0.084 0.000 1.883 143 A HA -0.179 4.141 4.320 -0.000 0.000 0.217 143 A C 2.082 179.618 177.584 -0.079 0.000 1.186 143 A CA 1.196 53.193 52.037 -0.067 0.000 0.624 143 A CB -0.767 18.210 19.000 -0.039 0.000 0.822 143 A HN 0.289 nan 8.150 nan 0.000 0.444 144 L N -0.879 120.326 121.223 -0.031 0.000 2.083 144 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 144 L C 3.110 180.092 176.870 0.188 0.000 1.083 144 L CA 1.020 55.891 54.840 0.052 0.000 0.752 144 L CB -0.663 41.542 42.059 0.244 0.000 0.899 144 L HN 0.465 nan 8.230 nan 0.000 0.433 145 A N -0.142 122.741 122.820 0.106 0.000 1.877 145 A HA -0.296 4.024 4.320 -0.000 0.000 0.216 145 A C 2.222 179.840 177.584 0.056 0.000 1.186 145 A CA 1.983 54.082 52.037 0.104 0.000 0.620 145 A CB -0.554 18.337 19.000 -0.182 0.000 0.822 145 A HN 0.407 nan 8.150 nan 0.000 0.443 146 Q N -0.066 119.712 119.800 -0.036 0.000 2.084 146 Q HA -0.161 4.179 4.340 -0.000 0.000 0.202 146 Q C 2.171 178.123 176.000 -0.079 0.000 0.978 146 Q CA 2.128 57.899 55.803 -0.053 0.000 0.844 146 Q CB -0.341 28.354 28.738 -0.072 0.000 0.898 146 Q HN 0.644 nan 8.270 nan 0.000 0.426 147 R N -1.405 118.988 120.500 -0.178 0.000 2.120 147 R HA -0.141 4.199 4.340 -0.000 0.000 0.234 147 R C 0.591 176.651 176.300 -0.400 0.000 1.123 147 R CA 1.360 57.236 56.100 -0.372 0.000 0.975 147 R CB 0.010 29.924 30.300 -0.643 0.000 0.866 147 R HN 0.348 nan 8.270 nan 0.000 0.446 148 Y N 0.120 120.447 120.300 0.045 0.000 2.584 148 Y HA 0.274 4.824 4.550 -0.000 0.000 0.254 148 Y C -0.144 175.812 175.900 0.092 0.000 1.177 148 Y CA -0.643 57.485 58.100 0.047 0.000 1.216 148 Y CB 0.122 38.599 38.460 0.028 0.000 1.172 148 Y HN -0.148 nan 8.280 nan 0.000 0.529 149 K N 0.884 121.389 120.400 0.175 0.000 2.436 149 K HA 0.310 4.630 4.320 -0.000 0.000 0.282 149 K C 1.110 177.813 176.600 0.172 0.000 1.044 149 K CA 1.228 57.610 56.287 0.159 0.000 1.028 149 K CB -0.173 32.364 32.500 0.061 0.000 0.919 149 K HN 0.562 nan 8.250 nan 0.000 0.474 150 G N 3.039 112.003 108.800 0.273 0.000 2.195 150 G HA2 -0.235 3.725 3.960 -0.000 0.000 0.224 150 G HA3 -0.235 3.725 3.960 -0.000 0.000 0.224 150 G C -0.273 174.699 174.900 0.120 0.000 0.990 150 G CA -0.007 45.218 45.100 0.208 0.000 0.639 150 G HN 0.668 nan 8.290 nan 0.000 0.514 151 N N 0.992 119.755 118.700 0.105 0.000 2.626 151 N HA 0.524 5.264 4.740 -0.000 0.000 0.242 151 N C -1.702 173.691 175.510 -0.195 0.000 1.005 151 N CA -2.135 50.898 53.050 -0.028 0.000 0.905 151 N CB 1.787 40.299 38.487 0.042 0.000 1.128 151 N HN -0.029 nan 8.380 nan 0.000 0.512 152 P HA -0.022 nan 4.420 nan 0.000 0.234 152 P C 0.781 177.750 177.300 -0.552 0.000 1.162 152 P CA 0.918 63.483 63.100 -0.890 0.000 0.759 152 P CB 0.312 31.521 31.700 -0.818 0.000 0.813 153 T N -1.423 112.920 114.554 -0.353 0.000 2.833 153 T HA -0.046 4.304 4.350 -0.000 0.000 0.269 153 T C 0.927 175.412 174.700 -0.360 0.000 1.054 153 T CA 0.856 62.770 62.100 -0.310 0.000 1.135 153 T CB -0.337 68.396 68.868 -0.226 0.000 0.869 153 T HN -0.055 nan 8.240 nan 0.000 0.466 154 V N 3.892 123.609 119.914 -0.329 0.000 2.339 154 V HA 0.132 4.252 4.120 -0.000 0.000 0.261 154 V C 1.427 177.385 176.094 -0.228 0.000 1.058 154 V CA -0.379 61.735 62.300 -0.310 0.000 0.897 154 V CB 0.793 32.434 31.823 -0.304 0.000 1.052 154 V HN 0.349 nan 8.190 nan 0.000 0.480 155 V N 2.450 122.152 119.914 -0.354 0.000 3.041 155 V HA 0.541 4.661 4.120 -0.000 0.000 0.260 155 V C 0.875 176.949 176.094 -0.033 0.000 1.105 155 V CA 1.234 63.321 62.300 -0.355 0.000 1.125 155 V CB -0.586 30.732 31.823 -0.841 0.000 0.730 155 V HN 0.901 nan 8.190 nan 0.000 0.479 156 G N -1.191 107.635 108.800 0.042 0.000 2.322 156 G HA2 0.480 4.440 3.960 -0.000 0.000 0.295 156 G HA3 0.480 4.440 3.960 -0.000 0.000 0.295 156 G C -1.848 173.204 174.900 0.253 0.000 1.369 156 G CA -0.789 44.492 45.100 0.302 0.000 0.821 156 G HN 0.055 nan 8.290 nan 0.000 0.536 157 F N 0.455 120.628 119.950 0.372 0.000 2.508 157 F HA 0.512 5.039 4.527 -0.000 0.000 0.325 157 F C -0.236 175.896 175.800 0.554 0.000 1.090 157 F CA -0.750 57.479 58.000 0.382 0.000 0.945 157 F CB 2.452 41.619 39.000 0.279 0.000 1.156 157 F HN 0.289 nan 8.300 nan 0.000 0.463 158 D N 3.975 124.776 120.400 0.668 0.000 2.467 158 D HA 0.236 4.876 4.640 -0.000 0.000 0.220 158 D C 1.182 177.882 176.300 0.667 0.000 1.103 158 D CA 0.070 54.485 54.000 0.693 0.000 0.886 158 D CB 0.590 41.753 40.800 0.605 0.000 1.025 158 D HN 0.499 nan 8.370 nan 0.000 0.514 159 L N 2.397 124.043 121.223 0.705 0.000 2.010 159 L HA -0.170 4.170 4.340 -0.000 0.000 0.219 159 L C 0.794 178.220 176.870 0.926 0.000 1.077 159 L CA 1.405 56.714 54.840 0.781 0.000 0.773 159 L CB -0.431 42.093 42.059 0.774 0.000 0.892 159 L HN 0.521 nan 8.230 nan 0.000 0.436 160 H N -1.563 117.874 119.070 0.611 0.000 3.026 160 H HA 0.314 4.870 4.556 -0.000 0.000 0.352 160 H C -0.736 174.638 175.328 0.078 0.000 1.090 160 H CA -1.028 55.182 56.048 0.271 0.000 1.268 160 H CB 0.969 30.717 29.762 -0.024 0.000 1.816 160 H HN -0.052 nan 8.280 nan 0.000 0.518 161 N N 3.075 121.434 118.700 -0.568 0.000 2.470 161 N HA 0.097 4.836 4.740 -0.000 0.000 0.268 161 N C -0.753 174.458 175.510 -0.499 0.000 1.136 161 N CA 0.328 53.124 53.050 -0.423 0.000 0.961 161 N CB 0.367 38.569 38.487 -0.475 0.000 1.067 161 N HN 0.790 nan 8.380 nan 0.000 0.468 162 E N -0.038 120.012 120.200 -0.250 0.000 2.210 162 E HA -0.197 4.153 4.350 -0.000 0.000 0.201 162 E C -2.211 174.391 176.600 0.003 0.000 1.339 162 E CA -0.053 56.300 56.400 -0.079 0.000 0.699 162 E CB -1.203 28.569 29.700 0.120 0.000 1.126 162 E HN 0.590 nan 8.360 nan 0.000 0.355 163 P HA -0.016 nan 4.420 nan 0.000 0.268 163 P C -0.234 177.006 177.300 -0.100 0.000 1.204 163 P CA 0.683 63.639 63.100 -0.240 0.000 0.768 163 P CB 0.560 31.881 31.700 -0.632 0.000 0.842 164 H N -0.623 118.275 119.070 -0.287 0.000 2.984 164 H HA 0.374 4.930 4.556 -0.000 0.000 0.277 164 H C -0.967 174.200 175.328 -0.268 0.000 1.502 164 H CA -0.885 54.972 56.048 -0.318 0.000 1.195 164 H CB -0.000 29.294 29.762 -0.779 0.000 1.866 164 H HN 0.158 nan 8.280 nan 0.000 0.594 165 D N 2.795 123.164 120.400 -0.052 0.000 2.571 165 D HA 0.011 4.651 4.640 -0.000 0.000 0.231 165 D C -1.238 174.941 176.300 -0.203 0.000 1.133 165 D CA -0.575 53.383 54.000 -0.069 0.000 0.862 165 D CB 0.722 41.521 40.800 -0.002 0.000 1.179 165 D HN 0.382 nan 8.370 nan 0.000 0.474 166 P HA 0.089 nan 4.420 nan 0.000 0.255 166 P C -0.161 177.119 177.300 -0.033 0.000 1.301 166 P CA -0.107 62.942 63.100 -0.086 0.000 0.817 166 P CB 0.138 31.784 31.700 -0.091 0.000 1.259 167 A N 0.675 123.468 122.820 -0.046 0.000 2.520 167 A HA 0.265 4.585 4.320 -0.000 0.000 0.235 167 A C 0.785 178.486 177.584 0.195 0.000 1.065 167 A CA 0.109 52.206 52.037 0.100 0.000 0.764 167 A CB -0.469 18.589 19.000 0.096 0.000 1.002 167 A HN 0.566 nan 8.150 nan 0.000 0.502 168 C N 2.119 121.577 119.300 0.263 0.000 2.848 168 C HA 0.862 5.322 4.460 -0.000 0.000 0.317 168 C C -0.661 174.543 174.990 0.357 0.000 1.260 168 C CA -1.045 58.142 59.018 0.282 0.000 1.656 168 C CB 1.438 29.285 27.740 0.178 0.000 2.174 168 C HN 0.970 nan 8.230 nan 0.000 0.479 169 W N 3.010 124.467 121.300 0.262 0.000 2.338 169 W HA 0.511 5.171 4.660 -0.000 0.000 0.315 169 W C 0.783 177.348 176.519 0.076 0.000 1.005 169 W CA 0.275 57.760 57.345 0.234 0.000 1.380 169 W CB 0.902 30.539 29.460 0.294 0.000 1.235 169 W HN 1.725 nan 8.180 nan 0.000 0.409 170 G N 2.791 111.496 108.800 -0.158 0.000 2.176 170 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.253 170 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.253 170 G C 1.038 175.723 174.900 -0.358 0.000 0.979 170 G CA 0.423 45.240 45.100 -0.471 0.000 0.641 170 G HN 1.058 nan 8.290 nan 0.000 0.530 171 C N 0.337 119.563 119.300 -0.123 0.000 2.443 171 C HA 0.467 4.927 4.460 -0.000 0.000 0.290 171 C C 2.695 177.657 174.990 -0.047 0.000 1.476 171 C CA 1.028 60.008 59.018 -0.063 0.000 1.772 171 C CB -1.225 26.518 27.740 0.006 0.000 1.714 171 C HN 2.430 nan 8.230 nan 0.000 0.562 172 G N 0.622 109.384 108.800 -0.064 0.000 2.212 172 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.266 172 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.266 172 G C -0.159 174.742 174.900 0.002 0.000 0.978 172 G CA 0.669 45.751 45.100 -0.031 0.000 0.632 172 G HN 0.711 nan 8.290 nan 0.000 0.537 173 D N 1.175 121.588 120.400 0.023 0.000 2.352 173 D HA 0.478 5.118 4.640 -0.000 0.000 0.245 173 D C -0.473 175.880 176.300 0.088 0.000 1.224 173 D CA -2.236 51.793 54.000 0.048 0.000 0.879 173 D CB 1.045 41.876 40.800 0.052 0.000 1.057 173 D HN 0.126 nan 8.370 nan 0.000 0.491 174 P HA -0.163 nan 4.420 nan 0.000 0.219 174 P C 0.988 178.439 177.300 0.252 0.000 1.144 174 P CA 1.086 64.261 63.100 0.124 0.000 0.806 174 P CB 0.154 31.898 31.700 0.073 0.000 0.771 175 S N -1.549 114.273 115.700 0.203 0.000 2.528 175 S HA 0.034 4.504 4.470 -0.000 0.000 0.219 175 S C 1.437 176.202 174.600 0.276 0.000 0.985 175 S CA 0.471 58.803 58.200 0.221 0.000 0.914 175 S CB -0.931 62.332 63.200 0.105 0.000 0.776 175 S HN 0.326 nan 8.310 nan 0.000 0.526 176 I N -2.919 117.856 120.570 0.342 0.000 4.670 176 I HA 0.400 4.570 4.170 -0.000 0.000 0.339 176 I C -0.353 176.042 176.117 0.462 0.000 1.310 176 I CA -0.441 61.060 61.300 0.335 0.000 1.288 176 I CB 0.248 38.330 38.000 0.136 0.000 1.427 176 I HN -0.107 nan 8.210 nan 0.000 0.494 177 D N 2.568 123.186 120.400 0.363 0.000 2.383 177 D HA -0.045 4.595 4.640 -0.000 0.000 0.245 177 D C 0.828 177.134 176.300 0.009 0.000 1.263 177 D CA -0.281 53.805 54.000 0.145 0.000 0.936 177 D CB 0.280 41.079 40.800 -0.001 0.000 1.053 177 D HN 0.499 nan 8.370 nan 0.000 0.507 178 W N 5.477 126.707 121.300 -0.117 0.000 2.374 178 W HA -0.184 4.476 4.660 -0.000 0.000 0.288 178 W C 1.618 177.822 176.519 -0.525 0.000 1.218 178 W CA 0.165 57.314 57.345 -0.327 0.000 1.245 178 W CB 0.192 29.641 29.460 -0.020 0.000 1.126 178 W HN 0.375 nan 8.180 nan 0.000 0.545 179 R N 1.172 121.146 120.500 -0.877 0.000 2.091 179 R HA -0.199 4.141 4.340 -0.000 0.000 0.238 179 R C 2.236 178.078 176.300 -0.763 0.000 1.136 179 R CA 1.712 57.083 56.100 -1.216 0.000 0.959 179 R CB -1.004 28.509 30.300 -1.312 0.000 0.856 179 R HN 0.344 nan 8.270 nan 0.000 0.437 180 L N 0.072 120.976 121.223 -0.531 0.000 2.109 180 L HA -0.047 4.293 4.340 -0.000 0.000 0.207 180 L C 2.743 179.348 176.870 -0.442 0.000 1.086 180 L CA 1.035 55.651 54.840 -0.373 0.000 0.760 180 L CB -0.506 41.420 42.059 -0.221 0.000 0.910 180 L HN 0.208 nan 8.230 nan 0.000 0.437 181 A N 0.279 122.711 122.820 -0.647 0.000 1.877 181 A HA -0.154 4.165 4.320 -0.000 0.000 0.216 181 A C 2.549 179.777 177.584 -0.593 0.000 1.186 181 A CA 1.657 53.258 52.037 -0.726 0.000 0.620 181 A CB -0.691 17.384 19.000 -1.543 0.000 0.822 181 A HN 0.370 nan 8.150 nan 0.000 0.443 182 A N -0.150 122.070 122.820 -1.000 0.000 1.940 182 A HA -0.196 4.124 4.320 -0.000 0.000 0.219 182 A C 1.914 179.238 177.584 -0.434 0.000 1.176 182 A CA 1.745 53.286 52.037 -0.827 0.000 0.631 182 A CB -0.525 17.798 19.000 -1.129 0.000 0.814 182 A HN 0.662 nan 8.150 nan 0.000 0.446 183 E N -0.900 119.060 120.200 -0.399 0.000 2.072 183 E HA -0.179 4.171 4.350 -0.000 0.000 0.191 183 E C 2.312 178.778 176.600 -0.222 0.000 0.985 183 E CA 1.004 57.252 56.400 -0.252 0.000 0.801 183 E CB -0.181 29.395 29.700 -0.208 0.000 0.750 183 E HN 0.603 nan 8.360 nan 0.000 0.452 184 R N 0.732 121.090 120.500 -0.236 0.000 2.083 184 R HA -0.180 4.160 4.340 -0.000 0.000 0.237 184 R C 2.246 178.403 176.300 -0.238 0.000 1.137 184 R CA 1.560 57.545 56.100 -0.190 0.000 0.951 184 R CB -0.201 30.009 30.300 -0.150 0.000 0.851 184 R HN 0.154 nan 8.270 nan 0.000 0.434 185 A N -0.062 122.558 122.820 -0.334 0.000 1.872 185 A HA -0.006 4.314 4.320 -0.000 0.000 0.214 185 A C 2.364 179.747 177.584 -0.336 0.000 1.187 185 A CA 1.475 53.216 52.037 -0.493 0.000 0.614 185 A CB -1.190 17.296 19.000 -0.857 0.000 0.826 185 A HN 0.576 nan 8.150 nan 0.000 0.442 186 G N 0.165 108.819 108.800 -0.242 0.000 2.440 186 G HA2 -0.304 3.656 3.960 -0.000 0.000 0.218 186 G HA3 -0.304 3.656 3.960 -0.000 0.000 0.218 186 G C 1.410 176.211 174.900 -0.166 0.000 1.154 186 G CA 1.165 46.164 45.100 -0.168 0.000 0.767 186 G HN 0.517 nan 8.290 nan 0.000 0.552 187 N N 1.050 119.651 118.700 -0.164 0.000 2.244 187 N HA -0.020 4.720 4.740 -0.000 0.000 0.183 187 N C 2.454 177.875 175.510 -0.148 0.000 1.016 187 N CA 1.098 54.065 53.050 -0.138 0.000 0.866 187 N CB -0.331 38.084 38.487 -0.121 0.000 0.980 187 N HN 0.332 nan 8.380 nan 0.000 0.430 188 A N 0.629 123.341 122.820 -0.181 0.000 1.898 188 A HA -0.039 4.281 4.320 -0.000 0.000 0.216 188 A C 2.489 179.954 177.584 -0.199 0.000 1.181 188 A CA 1.042 52.970 52.037 -0.182 0.000 0.620 188 A CB -0.686 18.185 19.000 -0.215 0.000 0.819 188 A HN 0.078 nan 8.150 nan 0.000 0.442 189 V N 0.246 120.013 119.914 -0.244 0.000 2.295 189 V HA -0.249 3.871 4.120 -0.000 0.000 0.246 189 V C 2.510 178.487 176.094 -0.195 0.000 1.049 189 V CA 1.944 64.080 62.300 -0.274 0.000 1.024 189 V CB -0.757 30.861 31.823 -0.343 0.000 0.648 189 V HN 0.567 nan 8.190 nan 0.000 0.447 190 L N -0.213 120.917 121.223 -0.155 0.000 2.275 190 L HA -0.114 4.226 4.340 -0.000 0.000 0.215 190 L C 2.455 179.255 176.870 -0.116 0.000 1.119 190 L CA 1.106 55.871 54.840 -0.125 0.000 0.790 190 L CB -0.493 41.501 42.059 -0.108 0.000 0.919 190 L HN 0.293 nan 8.230 nan 0.000 0.443 191 S N -0.900 114.730 115.700 -0.117 0.000 2.453 191 S HA -0.079 4.391 4.470 -0.000 0.000 0.231 191 S C 1.911 176.453 174.600 -0.096 0.000 1.005 191 S CA 0.685 58.826 58.200 -0.099 0.000 0.949 191 S CB 0.139 63.282 63.200 -0.095 0.000 0.774 191 S HN 0.179 nan 8.310 nan 0.000 0.510 192 V N 1.261 121.108 119.914 -0.111 0.000 2.374 192 V HA 0.165 4.285 4.120 -0.000 0.000 0.241 192 V C 0.670 176.706 176.094 -0.096 0.000 1.034 192 V CA 0.782 63.023 62.300 -0.100 0.000 1.037 192 V CB -0.202 31.553 31.823 -0.114 0.000 0.682 192 V HN 0.374 nan 8.190 nan 0.000 0.463 193 N N 0.428 119.059 118.700 -0.115 0.000 2.577 193 N HA 0.251 4.991 4.740 -0.000 0.000 0.275 193 N C -2.441 172.966 175.510 -0.172 0.000 1.091 193 N CA -1.740 51.222 53.050 -0.146 0.000 0.843 193 N CB 2.085 40.492 38.487 -0.134 0.000 1.295 193 N HN 0.057 nan 8.380 nan 0.000 0.530 194 P HA 0.090 nan 4.420 nan 0.000 0.247 194 P C -0.178 177.022 177.300 -0.167 0.000 1.225 194 P CA 0.416 63.430 63.100 -0.143 0.000 0.768 194 P CB 0.399 32.033 31.700 -0.111 0.000 1.020 195 N N -0.518 118.011 118.700 -0.284 0.000 2.205 195 N HA 0.132 4.872 4.740 -0.000 0.000 0.201 195 N C 0.682 176.035 175.510 -0.263 0.000 1.128 195 N CA -0.013 52.840 53.050 -0.327 0.000 0.867 195 N CB 0.519 38.630 38.487 -0.627 0.000 0.996 195 N HN 0.258 nan 8.380 nan 0.000 0.503 196 L N 1.324 122.431 121.223 -0.194 0.000 2.417 196 L HA 0.274 4.614 4.340 -0.000 0.000 0.268 196 L C 0.470 177.343 176.870 0.004 0.000 1.158 196 L CA -0.320 54.515 54.840 -0.008 0.000 0.819 196 L CB 0.958 43.076 42.059 0.098 0.000 1.112 196 L HN -0.161 nan 8.230 nan 0.000 0.458 197 L N 3.396 124.630 121.223 0.019 0.000 2.375 197 L HA 0.357 4.696 4.340 -0.000 0.000 0.271 197 L C -0.359 176.416 176.870 -0.158 0.000 1.107 197 L CA -0.640 54.106 54.840 -0.156 0.000 0.806 197 L CB 1.386 43.257 42.059 -0.314 0.000 1.146 197 L HN 0.370 nan 8.230 nan 0.000 0.447 198 I N 2.952 123.373 120.570 -0.249 0.000 2.354 198 I HA 0.266 4.436 4.170 -0.000 0.000 0.286 198 I C -0.450 175.592 176.117 -0.125 0.000 1.007 198 I CA -0.351 60.916 61.300 -0.055 0.000 1.167 198 I CB 0.857 38.836 38.000 -0.035 0.000 1.320 198 I HN 0.281 nan 8.210 nan 0.000 0.458 199 F N 5.846 125.960 119.950 0.273 0.000 2.371 199 F HA 0.379 4.906 4.527 -0.000 0.000 0.363 199 F C 0.470 176.547 175.800 0.462 0.000 1.122 199 F CA -0.708 57.524 58.000 0.387 0.000 1.129 199 F CB 1.197 40.525 39.000 0.547 0.000 1.173 199 F HN 0.047 nan 8.300 nan 0.000 0.489 200 V N 4.072 124.319 119.914 0.556 0.000 2.347 200 V HA 0.245 4.365 4.120 -0.000 0.000 0.280 200 V C 0.174 176.731 176.094 0.773 0.000 1.021 200 V CA -0.978 61.707 62.300 0.641 0.000 0.847 200 V CB 1.068 33.169 31.823 0.464 0.000 0.990 200 V HN 0.699 nan 8.190 nan 0.000 0.444 201 E N 2.408 123.084 120.200 0.794 0.000 2.369 201 E HA 0.494 4.844 4.350 -0.000 0.000 0.255 201 E C 0.535 177.594 176.600 0.765 0.000 1.172 201 E CA -0.082 56.672 56.400 0.590 0.000 0.932 201 E CB 1.118 30.996 29.700 0.297 0.000 1.040 201 E HN 0.787 nan 8.360 nan 0.000 0.454 202 G N -0.302 108.791 108.800 0.488 0.000 2.557 202 G HA2 0.436 4.396 3.960 -0.000 0.000 0.302 202 G HA3 0.436 4.396 3.960 -0.000 0.000 0.302 202 G C 0.082 175.255 174.900 0.455 0.000 1.311 202 G CA -0.371 45.045 45.100 0.528 0.000 1.030 202 G HN 0.364 nan 8.290 nan 0.000 0.509 203 V N -2.647 117.561 119.914 0.490 0.000 4.219 203 V HA 0.516 4.636 4.120 -0.000 0.000 0.275 203 V C 1.259 177.561 176.094 0.348 0.000 1.240 203 V CA 0.258 62.787 62.300 0.381 0.000 0.821 203 V CB 0.859 32.958 31.823 0.460 0.000 1.250 203 V HN 0.767 nan 8.190 nan 0.000 0.428 204 Q N -0.463 119.529 119.800 0.320 0.000 2.548 204 Q HA 0.280 4.620 4.340 -0.000 0.000 0.230 204 Q C 0.406 176.599 176.000 0.321 0.000 0.899 204 Q CA 0.497 56.503 55.803 0.339 0.000 0.936 204 Q CB 0.950 29.861 28.738 0.289 0.000 1.114 204 Q HN 0.863 nan 8.270 nan 0.000 0.606 205 S N 0.025 115.895 115.700 0.283 0.000 2.482 205 S HA 0.518 4.988 4.470 -0.000 0.000 0.303 205 S C -1.639 173.158 174.600 0.329 0.000 1.091 205 S CA -0.551 57.804 58.200 0.259 0.000 1.057 205 S CB 1.511 64.816 63.200 0.175 0.000 1.031 205 S HN 0.343 nan 8.310 nan 0.000 0.485 206 Y N 2.234 122.622 120.300 0.147 0.000 2.298 206 Y HA 0.352 4.902 4.550 -0.000 0.000 0.322 206 Y C -0.411 175.548 175.900 0.098 0.000 1.138 206 Y CA -0.443 57.740 58.100 0.138 0.000 1.127 206 Y CB 0.675 39.217 38.460 0.136 0.000 1.178 206 Y HN 0.761 nan 8.280 nan 0.000 0.428 207 N N 4.164 122.676 118.700 -0.313 0.000 2.783 207 N HA -0.164 4.576 4.740 -0.000 0.000 0.247 207 N C 0.887 176.374 175.510 -0.038 0.000 1.089 207 N CA 1.727 54.657 53.050 -0.201 0.000 0.690 207 N CB -1.205 37.191 38.487 -0.153 0.000 0.991 207 N HN 1.504 nan 8.380 nan 0.000 0.552 208 G N -0.985 107.810 108.800 -0.008 0.000 2.228 208 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.270 208 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.270 208 G C -0.148 174.790 174.900 0.063 0.000 0.976 208 G CA 0.713 45.830 45.100 0.028 0.000 0.636 208 G HN 0.677 nan 8.290 nan 0.000 0.542 209 D N 0.817 121.271 120.400 0.089 0.000 2.280 209 D HA 0.606 5.246 4.640 -0.000 0.000 0.243 209 D C 0.192 176.592 176.300 0.167 0.000 1.129 209 D CA 0.057 54.126 54.000 0.114 0.000 0.848 209 D CB 0.830 41.692 40.800 0.105 0.000 1.107 209 D HN 0.073 nan 8.370 nan 0.000 0.471 210 S N 2.679 118.484 115.700 0.175 0.000 2.549 210 S HA 0.560 5.030 4.470 -0.000 0.000 0.297 210 S C -1.140 173.651 174.600 0.319 0.000 1.115 210 S CA -0.546 57.787 58.200 0.222 0.000 1.059 210 S CB 1.005 64.301 63.200 0.161 0.000 1.046 210 S HN 0.512 nan 8.310 nan 0.000 0.506 211 Y N -0.151 120.252 120.300 0.173 0.000 2.840 211 Y HA 0.508 5.058 4.550 -0.000 0.000 0.324 211 Y C -1.743 174.288 175.900 0.219 0.000 1.378 211 Y CA -1.980 56.233 58.100 0.189 0.000 1.077 211 Y CB 0.407 38.992 38.460 0.208 0.000 1.361 211 Y HN 0.759 nan 8.280 nan 0.000 0.459 212 W N 2.219 123.313 121.300 -0.344 0.000 2.209 212 W HA 0.087 4.747 4.660 -0.000 0.000 0.344 212 W C -0.530 176.043 176.519 0.090 0.000 1.285 212 W CA -0.029 57.202 57.345 -0.191 0.000 1.267 212 W CB 0.191 29.476 29.460 -0.291 0.000 1.167 212 W HN 0.272 nan 8.180 nan 0.000 0.574 213 W N 2.326 123.730 121.300 0.173 0.000 2.295 213 W HA 0.265 4.925 4.660 -0.000 0.000 0.335 213 W C 1.256 177.790 176.519 0.025 0.000 1.351 213 W CA 0.303 57.688 57.345 0.066 0.000 1.273 213 W CB -0.769 28.639 29.460 -0.087 0.000 1.214 213 W HN 0.813 nan 8.180 nan 0.000 0.563 214 G N 1.241 110.181 108.800 0.233 0.000 2.205 214 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.261 214 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.261 214 G C 1.006 175.957 174.900 0.085 0.000 0.980 214 G CA 0.429 45.536 45.100 0.012 0.000 0.632 214 G HN 1.055 nan 8.290 nan 0.000 0.533 215 G N -0.515 108.454 108.800 0.282 0.000 2.921 215 G HA2 0.205 4.165 3.960 -0.000 0.000 0.213 215 G HA3 0.205 4.165 3.960 -0.000 0.000 0.213 215 G C 0.523 175.820 174.900 0.663 0.000 1.143 215 G CA 0.582 45.965 45.100 0.472 0.000 0.764 215 G HN 0.470 nan 8.290 nan 0.000 0.542 216 N N 1.255 120.284 118.700 0.548 0.000 2.448 216 N HA 0.212 4.952 4.740 -0.000 0.000 0.250 216 N C 0.349 175.948 175.510 0.147 0.000 1.136 216 N CA -0.098 53.175 53.050 0.372 0.000 0.953 216 N CB 0.599 39.309 38.487 0.372 0.000 1.251 216 N HN 0.055 nan 8.380 nan 0.000 0.502 217 L N 2.906 124.151 121.223 0.036 0.000 2.872 217 L HA 0.183 4.523 4.340 -0.000 0.000 0.245 217 L C 1.797 178.444 176.870 -0.371 0.000 1.211 217 L CA -0.048 54.616 54.840 -0.294 0.000 1.013 217 L CB 0.158 42.089 42.059 -0.213 0.000 1.326 217 L HN 0.414 nan 8.230 nan 0.000 0.525 218 Q N 0.289 119.901 119.800 -0.313 0.000 2.234 218 Q HA -0.148 4.192 4.340 -0.000 0.000 0.206 218 Q C 2.096 177.573 176.000 -0.872 0.000 0.980 218 Q CA 1.513 57.069 55.803 -0.412 0.000 0.869 218 Q CB -0.069 28.509 28.738 -0.266 0.000 0.912 218 Q HN 0.655 nan 8.270 nan 0.000 0.436 219 G N -0.138 107.844 108.800 -1.363 0.000 2.777 219 G HA2 0.065 4.025 3.960 -0.000 0.000 0.211 219 G HA3 0.065 4.025 3.960 -0.000 0.000 0.211 219 G C 1.370 175.912 174.900 -0.598 0.000 1.149 219 G CA 0.488 44.910 45.100 -1.130 0.000 0.785 219 G HN 0.355 nan 8.290 nan 0.000 0.536 220 A N 1.155 123.452 122.820 -0.872 0.000 1.940 220 A HA 0.077 4.397 4.320 -0.000 0.000 0.219 220 A C 2.636 180.183 177.584 -0.062 0.000 1.176 220 A CA 2.126 53.865 52.037 -0.497 0.000 0.631 220 A CB -0.926 17.524 19.000 -0.917 0.000 0.814 220 A HN 0.453 nan 8.150 nan 0.000 0.446 221 G N -1.239 107.575 108.800 0.023 0.000 2.418 221 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.217 221 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.217 221 G C 1.650 176.550 174.900 -0.000 0.000 1.158 221 G CA 1.141 46.302 45.100 0.102 0.000 0.771 221 G HN 0.622 nan 8.290 nan 0.000 0.545 222 Q N -1.156 118.582 119.800 -0.103 0.000 2.204 222 Q HA 0.081 4.421 4.340 -0.000 0.000 0.198 222 Q C -0.056 175.699 176.000 -0.408 0.000 0.946 222 Q CA 0.390 56.008 55.803 -0.308 0.000 0.859 222 Q CB 0.207 28.669 28.738 -0.461 0.000 0.946 222 Q HN 0.529 nan 8.270 nan 0.000 0.474 223 Y N 1.504 121.956 120.300 0.254 0.000 2.837 223 Y HA 0.392 4.942 4.550 -0.000 0.000 0.356 223 Y C -2.278 173.913 175.900 0.485 0.000 1.035 223 Y CA -3.056 55.265 58.100 0.368 0.000 1.165 223 Y CB 0.838 39.603 38.460 0.509 0.000 1.147 223 Y HN 0.133 nan 8.280 nan 0.000 0.628 224 P HA 0.074 nan 4.420 nan 0.000 0.274 224 P C -0.092 177.435 177.300 0.379 0.000 1.231 224 P CA -0.018 63.344 63.100 0.437 0.000 0.790 224 P CB 2.132 34.005 31.700 0.289 0.000 0.951 225 V N 2.917 123.083 119.914 0.420 0.000 2.530 225 V HA 0.129 4.249 4.120 -0.000 0.000 0.282 225 V C 0.535 176.690 176.094 0.102 0.000 1.048 225 V CA -0.110 62.297 62.300 0.178 0.000 0.997 225 V CB 1.327 33.244 31.823 0.156 0.000 0.987 225 V HN 0.267 nan 8.190 nan 0.000 0.477 226 V N 6.959 126.891 119.914 0.030 0.000 2.409 226 V HA 0.457 4.577 4.120 -0.000 0.000 0.290 226 V C -0.159 175.918 176.094 -0.028 0.000 1.017 226 V CA -0.402 61.907 62.300 0.015 0.000 0.841 226 V CB 1.443 33.283 31.823 0.028 0.000 1.003 226 V HN 0.623 nan 8.190 nan 0.000 0.426 227 L N 3.302 124.502 121.223 -0.038 0.000 2.352 227 L HA 0.526 4.866 4.340 -0.000 0.000 0.269 227 L C 1.278 178.118 176.870 -0.050 0.000 1.034 227 L CA -0.496 54.309 54.840 -0.058 0.000 0.806 227 L CB 1.165 43.182 42.059 -0.070 0.000 1.244 227 L HN 0.544 nan 8.230 nan 0.000 0.447 228 N N -0.401 118.264 118.700 -0.059 0.000 2.396 228 N HA -0.027 4.713 4.740 -0.000 0.000 0.180 228 N C -0.444 175.036 175.510 -0.050 0.000 1.028 228 N CA 0.433 53.451 53.050 -0.052 0.000 0.893 228 N CB 0.306 38.757 38.487 -0.060 0.000 0.967 228 N HN 0.205 nan 8.380 nan 0.000 0.440 229 V N 2.907 122.788 119.914 -0.055 0.000 2.407 229 V HA 0.301 4.421 4.120 -0.000 0.000 0.291 229 V C -2.136 173.931 176.094 -0.044 0.000 1.018 229 V CA -1.712 60.557 62.300 -0.052 0.000 0.842 229 V CB 1.733 33.518 31.823 -0.062 0.000 0.996 229 V HN -0.005 nan 8.190 nan 0.000 0.426 230 P HA 0.262 nan 4.420 nan 0.000 0.275 230 P C -0.180 177.113 177.300 -0.013 0.000 1.228 230 P CA -0.090 62.997 63.100 -0.022 0.000 0.786 230 P CB 0.408 32.098 31.700 -0.017 0.000 0.927 231 N N 0.272 118.971 118.700 -0.002 0.000 2.815 231 N HA -0.133 4.607 4.740 -0.000 0.000 0.248 231 N C 0.424 175.948 175.510 0.022 0.000 1.110 231 N CA 0.187 53.254 53.050 0.028 0.000 0.699 231 N CB -0.768 37.766 38.487 0.078 0.000 1.040 231 N HN 0.444 nan 8.380 nan 0.000 0.555 232 R N -0.503 119.977 120.500 -0.033 0.000 2.453 232 R HA 0.276 4.616 4.340 -0.000 0.000 0.233 232 R C 0.224 176.433 176.300 -0.151 0.000 0.895 232 R CA -0.176 55.882 56.100 -0.070 0.000 1.028 232 R CB 0.144 30.402 30.300 -0.070 0.000 1.255 232 R HN 0.286 nan 8.270 nan 0.000 0.571 233 L N 1.523 122.656 121.223 -0.149 0.000 2.349 233 L HA 0.323 4.663 4.340 -0.000 0.000 0.275 233 L C -0.711 176.006 176.870 -0.254 0.000 1.115 233 L CA -0.190 54.513 54.840 -0.228 0.000 0.820 233 L CB 1.325 43.239 42.059 -0.243 0.000 1.135 233 L HN -0.252 nan 8.230 nan 0.000 0.445 234 V N 5.380 125.121 119.914 -0.289 0.000 2.612 234 V HA 0.323 4.443 4.120 -0.000 0.000 0.301 234 V C -0.757 175.381 176.094 0.073 0.000 1.059 234 V CA -0.687 61.550 62.300 -0.104 0.000 0.886 234 V CB 1.201 32.940 31.823 -0.141 0.000 1.007 234 V HN 0.548 nan 8.190 nan 0.000 0.426 235 Y N 1.796 122.286 120.300 0.315 0.000 2.299 235 Y HA 0.608 5.158 4.550 -0.000 0.000 0.335 235 Y C 0.962 177.144 175.900 0.469 0.000 1.287 235 Y CA 0.179 58.501 58.100 0.369 0.000 1.424 235 Y CB 1.364 39.986 38.460 0.269 0.000 1.326 235 Y HN 0.623 nan 8.280 nan 0.000 0.567 236 S N 0.206 116.273 115.700 0.611 0.000 2.546 236 S HA 0.904 5.374 4.470 -0.000 0.000 0.274 236 S C -1.374 173.343 174.600 0.195 0.000 1.121 236 S CA -0.290 58.166 58.200 0.428 0.000 0.887 236 S CB 0.988 64.489 63.200 0.501 0.000 1.094 236 S HN 0.902 nan 8.310 nan 0.000 0.474 237 A N 2.639 125.427 122.820 -0.054 0.000 2.566 237 A HA 0.808 5.128 4.320 -0.000 0.000 0.292 237 A C -1.546 175.945 177.584 -0.153 0.000 1.112 237 A CA -0.618 51.308 52.037 -0.185 0.000 0.707 237 A CB 1.173 19.806 19.000 -0.611 0.000 1.302 237 A HN 0.936 nan 8.150 nan 0.000 0.409 238 H N -0.410 118.506 119.070 -0.256 0.000 2.690 238 H HA 0.599 5.155 4.556 -0.000 0.000 0.368 238 H C -1.684 173.452 175.328 -0.320 0.000 1.150 238 H CA -0.548 55.305 56.048 -0.325 0.000 1.174 238 H CB 2.356 32.002 29.762 -0.194 0.000 1.684 238 H HN 0.726 nan 8.280 nan 0.000 0.538 239 D N 1.214 121.368 120.400 -0.409 0.000 2.990 239 D HA 0.290 4.929 4.640 -0.000 0.000 0.227 239 D C -1.642 174.233 176.300 -0.708 0.000 1.249 239 D CA -0.247 53.548 54.000 -0.342 0.000 0.891 239 D CB 1.542 42.463 40.800 0.201 0.000 1.647 239 D HN 0.285 nan 8.370 nan 0.000 0.530 240 Y N 0.810 120.449 120.300 -1.101 0.000 2.665 240 Y HA 0.804 5.354 4.550 -0.000 0.000 0.336 240 Y C 0.472 175.872 175.900 -0.834 0.000 1.085 240 Y CA -0.737 56.720 58.100 -1.070 0.000 1.096 240 Y CB 1.793 39.353 38.460 -1.499 0.000 1.301 240 Y HN 0.492 nan 8.280 nan 0.000 0.493 241 A N -0.391 121.903 122.820 -0.878 0.000 2.889 241 A HA 0.446 4.766 4.320 -0.000 0.000 0.235 241 A C 1.117 178.323 177.584 -0.630 0.000 1.307 241 A CA 0.189 51.639 52.037 -0.978 0.000 0.917 241 A CB -0.387 17.788 19.000 -1.375 0.000 1.546 241 A HN 0.850 nan 8.150 nan 0.000 0.472 242 T N -1.594 112.409 114.554 -0.918 0.000 2.962 242 T HA -0.139 4.211 4.350 -0.000 0.000 0.270 242 T C 1.728 176.214 174.700 -0.356 0.000 1.088 242 T CA 2.037 63.778 62.100 -0.599 0.000 1.127 242 T CB -0.854 67.637 68.868 -0.630 0.000 0.883 242 T HN 1.117 nan 8.240 nan 0.000 0.493 243 S N 0.762 116.272 115.700 -0.316 0.000 2.419 243 S HA -0.048 4.422 4.470 -0.000 0.000 0.233 243 S C 1.858 176.329 174.600 -0.214 0.000 1.016 243 S CA 0.888 58.956 58.200 -0.220 0.000 0.974 243 S CB -0.731 62.368 63.200 -0.169 0.000 0.786 243 S HN 0.434 nan 8.310 nan 0.000 0.492 244 V N -1.372 118.401 119.914 -0.234 0.000 2.521 244 V HA 0.344 4.464 4.120 -0.000 0.000 0.239 244 V C 0.254 176.357 176.094 0.014 0.000 1.053 244 V CA 0.618 62.784 62.300 -0.223 0.000 1.073 244 V CB -0.384 31.146 31.823 -0.488 0.000 0.746 244 V HN 0.626 nan 8.190 nan 0.000 0.476 245 Y N 1.428 121.738 120.300 0.015 0.000 2.348 245 Y HA 0.415 4.965 4.550 -0.000 0.000 0.321 245 Y C -2.736 173.104 175.900 -0.100 0.000 1.163 245 Y CA -2.258 55.828 58.100 -0.023 0.000 1.070 245 Y CB 2.225 40.670 38.460 -0.025 0.000 1.250 245 Y HN -0.000 nan 8.280 nan 0.000 0.425 246 P HA -0.010 nan 4.420 nan 0.000 0.238 246 P C -0.577 176.417 177.300 -0.510 0.000 1.729 246 P CA 0.318 63.088 63.100 -0.549 0.000 1.055 246 P CB 0.198 31.579 31.700 -0.531 0.000 1.980 247 Q N 0.781 120.359 119.800 -0.370 0.000 2.479 247 Q HA -0.011 4.329 4.340 -0.000 0.000 0.267 247 Q C 1.847 177.465 176.000 -0.637 0.000 1.071 247 Q CA 0.845 56.234 55.803 -0.690 0.000 0.935 247 Q CB 0.120 27.899 28.738 -1.598 0.000 1.295 247 Q HN 0.373 nan 8.270 nan 0.000 0.476 248 T N -2.857 111.352 114.554 -0.575 0.000 2.867 248 T HA -0.157 4.193 4.350 -0.000 0.000 0.268 248 T C 1.422 175.992 174.700 -0.218 0.000 1.057 248 T CA 1.347 63.276 62.100 -0.286 0.000 1.136 248 T CB -0.459 68.348 68.868 -0.102 0.000 0.874 248 T HN 0.767 nan 8.240 nan 0.000 0.466 249 W N 0.569 121.750 121.300 -0.198 0.000 2.538 249 W HA 0.246 4.906 4.660 -0.000 0.000 0.254 249 W C 1.022 177.316 176.519 -0.375 0.000 1.249 249 W CA -0.505 56.684 57.345 -0.259 0.000 1.253 249 W CB -1.180 28.107 29.460 -0.288 0.000 1.130 249 W HN 0.089 nan 8.180 nan 0.000 0.618 250 F N 0.889 120.608 119.950 -0.385 0.000 2.512 250 F HA 0.030 4.557 4.527 -0.000 0.000 0.296 250 F C 2.165 177.696 175.800 -0.448 0.000 1.110 250 F CA 1.124 58.693 58.000 -0.718 0.000 1.446 250 F CB -0.588 37.991 39.000 -0.701 0.000 1.092 250 F HN -0.162 nan 8.300 nan 0.000 0.554 251 S N -1.505 114.133 115.700 -0.103 0.000 2.548 251 S HA -0.049 4.421 4.470 -0.000 0.000 0.215 251 S C 0.528 175.138 174.600 0.017 0.000 0.976 251 S CA -0.175 57.998 58.200 -0.046 0.000 0.908 251 S CB -0.327 62.837 63.200 -0.060 0.000 0.781 251 S HN 0.226 nan 8.310 nan 0.000 0.519 252 D N 2.764 123.195 120.400 0.051 0.000 2.425 252 D HA 0.031 4.671 4.640 -0.000 0.000 0.247 252 D C -1.465 174.923 176.300 0.147 0.000 1.147 252 D CA -1.364 52.699 54.000 0.104 0.000 0.879 252 D CB 1.375 42.262 40.800 0.145 0.000 1.179 252 D HN 0.073 nan 8.370 nan 0.000 0.456 253 P HA -0.116 nan 4.420 nan 0.000 0.222 253 P C 1.049 178.422 177.300 0.122 0.000 1.147 253 P CA 1.065 64.229 63.100 0.106 0.000 0.790 253 P CB 0.005 31.745 31.700 0.066 0.000 0.780 254 T N -4.931 109.694 114.554 0.118 0.000 3.107 254 T HA 0.069 4.419 4.350 -0.000 0.000 0.249 254 T C 0.417 175.186 174.700 0.115 0.000 1.096 254 T CA -0.680 61.474 62.100 0.089 0.000 1.012 254 T CB -1.099 67.796 68.868 0.045 0.000 0.977 254 T HN -0.164 nan 8.240 nan 0.000 0.527 255 F N 4.702 124.684 119.950 0.054 0.000 2.629 255 F HA 0.257 4.784 4.527 -0.000 0.000 0.377 255 F C -1.342 174.517 175.800 0.099 0.000 1.101 255 F CA -2.071 55.981 58.000 0.086 0.000 1.301 255 F CB 0.959 40.049 39.000 0.149 0.000 1.062 255 F HN -0.004 nan 8.300 nan 0.000 0.583 256 P HA 0.037 nan 4.420 nan 0.000 0.258 256 P C 0.061 177.128 177.300 -0.388 0.000 1.416 256 P CA 0.279 62.769 63.100 -1.017 0.000 0.927 256 P CB 0.056 31.164 31.700 -0.986 0.000 1.444 257 N N 1.807 120.387 118.700 -0.200 0.000 2.309 257 N HA -0.101 4.639 4.740 -0.000 0.000 0.182 257 N C 1.444 176.864 175.510 -0.150 0.000 1.018 257 N CA 1.021 53.990 53.050 -0.134 0.000 0.876 257 N CB -0.389 38.058 38.487 -0.066 0.000 0.972 257 N HN 0.410 nan 8.380 nan 0.000 0.434 258 N N 0.867 119.495 118.700 -0.119 0.000 2.396 258 N HA -0.091 4.649 4.740 -0.000 0.000 0.180 258 N C 1.420 176.726 175.510 -0.341 0.000 1.028 258 N CA 0.565 53.528 53.050 -0.144 0.000 0.893 258 N CB -0.296 38.178 38.487 -0.022 0.000 0.967 258 N HN 0.085 nan 8.380 nan 0.000 0.440 259 M N 1.305 120.620 119.600 -0.476 0.000 2.065 259 M HA -0.045 4.435 4.480 -0.000 0.000 0.259 259 M C -0.611 174.849 176.300 -1.399 0.000 1.069 259 M CA 1.252 55.915 55.300 -1.062 0.000 1.110 259 M CB -2.493 29.364 32.600 -1.238 0.000 1.328 259 M HN 0.102 nan 8.290 nan 0.000 0.405 260 P HA -0.086 nan 4.420 nan 0.000 0.221 260 P C 1.545 178.652 177.300 -0.322 0.000 1.145 260 P CA 1.879 64.719 63.100 -0.433 0.000 0.795 260 P CB -0.465 31.247 31.700 0.020 0.000 0.775 261 G N 0.895 109.482 108.800 -0.356 0.000 2.414 261 G HA2 -0.183 3.777 3.960 -0.000 0.000 0.215 261 G HA3 -0.183 3.777 3.960 -0.000 0.000 0.215 261 G C 1.548 176.231 174.900 -0.362 0.000 1.188 261 G CA 0.451 45.390 45.100 -0.269 0.000 0.783 261 G HN 0.111 nan 8.290 nan 0.000 0.537 262 I N 0.148 120.396 120.570 -0.535 0.000 2.127 262 I HA -0.143 4.027 4.170 -0.000 0.000 0.241 262 I C 2.672 178.443 176.117 -0.577 0.000 1.075 262 I CA 0.929 61.857 61.300 -0.620 0.000 1.334 262 I CB -1.326 36.148 38.000 -0.877 0.000 1.040 262 I HN 0.267 nan 8.210 nan 0.000 0.405 263 W N 1.508 122.410 121.300 -0.663 0.000 2.355 263 W HA -0.139 4.521 4.660 -0.000 0.000 0.309 263 W C 2.604 178.509 176.519 -1.023 0.000 1.206 263 W CA 0.562 57.240 57.345 -1.113 0.000 1.284 263 W CB -1.795 26.753 29.460 -1.521 0.000 1.145 263 W HN 0.262 nan 8.180 nan 0.000 0.502 264 N N 0.563 119.084 118.700 -0.297 0.000 2.104 264 N HA -0.179 4.561 4.740 -0.000 0.000 0.190 264 N C 1.740 177.222 175.510 -0.047 0.000 1.024 264 N CA 1.690 54.702 53.050 -0.063 0.000 0.853 264 N CB -0.619 37.885 38.487 0.030 0.000 1.008 264 N HN 0.257 nan 8.380 nan 0.000 0.424 265 K N 1.006 121.311 120.400 -0.157 0.000 1.985 265 K HA -0.051 4.269 4.320 -0.000 0.000 0.210 265 K C 1.502 178.065 176.600 -0.062 0.000 1.047 265 K CA 1.167 57.374 56.287 -0.132 0.000 0.932 265 K CB -0.037 32.335 32.500 -0.213 0.000 0.716 265 K HN 0.160 nan 8.250 nan 0.000 0.439 266 N N -0.574 117.981 118.700 -0.242 0.000 2.244 266 N HA -0.120 4.620 4.740 -0.000 0.000 0.183 266 N C 1.313 176.910 175.510 0.146 0.000 1.016 266 N CA 1.624 54.585 53.050 -0.149 0.000 0.866 266 N CB 0.175 38.331 38.487 -0.552 0.000 0.980 266 N HN 0.601 nan 8.380 nan 0.000 0.430 267 W N -2.144 119.192 121.300 0.059 0.000 3.826 267 W HA 0.347 5.007 4.660 -0.000 0.000 0.176 267 W C 1.542 178.108 176.519 0.079 0.000 1.041 267 W CA 0.289 57.647 57.345 0.022 0.000 1.499 267 W CB -0.767 28.746 29.460 0.087 0.000 0.617 267 W HN -0.190 nan 8.180 nan 0.000 0.918 268 G N 3.072 111.844 108.800 -0.047 0.000 2.469 268 G HA2 -0.415 3.544 3.960 -0.000 0.000 0.219 268 G HA3 -0.415 3.544 3.960 -0.000 0.000 0.219 268 G C 1.437 176.518 174.900 0.301 0.000 1.150 268 G CA 2.458 47.718 45.100 0.267 0.000 0.763 268 G HN 0.489 nan 8.290 nan 0.000 0.561 269 Y N 0.701 121.086 120.300 0.142 0.000 2.241 269 Y HA -0.077 4.472 4.550 -0.000 0.000 0.286 269 Y C 2.287 178.263 175.900 0.128 0.000 1.166 269 Y CA 1.252 59.411 58.100 0.098 0.000 1.203 269 Y CB -0.629 37.837 38.460 0.010 0.000 0.977 269 Y HN 0.154 nan 8.280 nan 0.000 0.529 270 L N -1.219 119.672 121.223 -0.555 0.000 2.131 270 L HA -0.120 4.220 4.340 -0.000 0.000 0.210 270 L C 2.379 179.275 176.870 0.043 0.000 1.092 270 L CA 1.504 56.173 54.840 -0.285 0.000 0.759 270 L CB -0.615 41.283 42.059 -0.268 0.000 0.903 270 L HN 0.341 nan 8.230 nan 0.000 0.435 271 F N 1.097 121.053 119.950 0.010 0.000 2.094 271 F HA -0.109 4.418 4.527 -0.000 0.000 0.291 271 F C 2.447 178.216 175.800 -0.052 0.000 1.109 271 F CA 1.315 59.286 58.000 -0.048 0.000 1.221 271 F CB -0.324 38.559 39.000 -0.195 0.000 1.014 271 F HN 0.038 nan 8.300 nan 0.000 0.473 272 N N 0.657 119.423 118.700 0.110 0.000 2.091 272 N HA -0.243 4.497 4.740 -0.000 0.000 0.193 272 N C 1.476 176.939 175.510 -0.078 0.000 1.021 272 N CA 1.870 54.921 53.050 0.003 0.000 0.862 272 N CB -0.713 37.848 38.487 0.122 0.000 1.018 272 N HN 0.572 nan 8.380 nan 0.000 0.429 273 Q N 0.084 119.877 119.800 -0.012 0.000 2.403 273 Q HA 0.110 4.450 4.340 -0.000 0.000 0.203 273 Q C -0.315 175.650 176.000 -0.059 0.000 0.932 273 Q CA -0.234 55.565 55.803 -0.006 0.000 0.945 273 Q CB -0.060 28.728 28.738 0.084 0.000 1.045 273 Q HN 0.312 nan 8.270 nan 0.000 0.511 274 N N -0.195 118.412 118.700 -0.155 0.000 2.735 274 N HA -0.211 4.529 4.740 -0.000 0.000 0.248 274 N C 0.176 175.651 175.510 -0.058 0.000 1.083 274 N CA 0.183 53.130 53.050 -0.171 0.000 0.703 274 N CB -0.888 37.506 38.487 -0.156 0.000 1.005 274 N HN 0.341 nan 8.380 nan 0.000 0.550 275 I N -1.238 119.332 120.570 -0.001 0.000 2.400 275 I HA 0.147 4.317 4.170 -0.000 0.000 0.248 275 I C 1.112 177.286 176.117 0.094 0.000 1.109 275 I CA 1.161 62.501 61.300 0.066 0.000 1.425 275 I CB -0.003 38.063 38.000 0.110 0.000 1.094 275 I HN 0.395 nan 8.210 nan 0.000 0.425 276 A N -0.549 122.342 122.820 0.119 0.000 2.586 276 A HA 0.594 4.914 4.320 -0.000 0.000 0.291 276 A C -2.801 174.893 177.584 0.184 0.000 1.062 276 A CA -0.943 51.173 52.037 0.132 0.000 0.666 276 A CB 0.380 19.475 19.000 0.159 0.000 1.281 276 A HN -0.220 nan 8.150 nan 0.000 0.421 277 P HA 0.455 nan 4.420 nan 0.000 0.272 277 P C -0.853 176.670 177.300 0.372 0.000 1.223 277 P CA -0.182 63.077 63.100 0.264 0.000 0.784 277 P CB 0.883 32.698 31.700 0.193 0.000 0.923 278 V N 2.519 122.703 119.914 0.449 0.000 2.540 278 V HA 0.412 4.531 4.120 -0.000 0.000 0.302 278 V C -1.173 175.298 176.094 0.627 0.000 1.035 278 V CA -0.388 62.255 62.300 0.571 0.000 0.873 278 V CB 1.815 34.063 31.823 0.710 0.000 0.992 278 V HN 0.594 nan 8.190 nan 0.000 0.428 279 W N 6.711 128.230 121.300 0.366 0.000 2.362 279 W HA 0.619 5.279 4.660 -0.000 0.000 0.316 279 W C -1.092 175.512 176.519 0.142 0.000 1.024 279 W CA -1.523 56.002 57.345 0.300 0.000 1.270 279 W CB 1.507 31.190 29.460 0.372 0.000 1.273 279 W HN 0.448 nan 8.180 nan 0.000 0.424 280 L N 7.632 128.838 121.223 -0.030 0.000 2.385 280 L HA 0.378 4.718 4.340 -0.000 0.000 0.285 280 L C 1.388 177.976 176.870 -0.470 0.000 1.125 280 L CA 0.653 55.239 54.840 -0.424 0.000 0.890 280 L CB 0.347 42.043 42.059 -0.605 0.000 1.251 280 L HN 0.780 nan 8.230 nan 0.000 0.445 281 G N 3.867 112.167 108.800 -0.833 0.000 2.443 281 G HA2 -0.062 3.898 3.960 -0.000 0.000 0.219 281 G HA3 -0.062 3.898 3.960 -0.000 0.000 0.219 281 G C 0.365 174.946 174.900 -0.531 0.000 1.131 281 G CA 0.237 44.671 45.100 -1.111 0.000 0.775 281 G HN 0.582 nan 8.290 nan 0.000 0.547 282 E N -1.281 118.577 120.200 -0.569 0.000 2.343 282 E HA 0.527 4.877 4.350 -0.000 0.000 0.278 282 E C -1.708 174.643 176.600 -0.415 0.000 0.910 282 E CA -0.876 55.235 56.400 -0.481 0.000 0.757 282 E CB 2.572 31.720 29.700 -0.919 0.000 1.218 282 E HN 0.183 nan 8.360 nan 0.000 0.435 283 F N -0.438 119.132 119.950 -0.634 0.000 2.686 283 F HA 0.708 5.235 4.527 -0.000 0.000 0.315 283 F C -0.765 174.756 175.800 -0.464 0.000 1.088 283 F CA -0.531 57.048 58.000 -0.703 0.000 1.034 283 F CB 0.718 39.530 39.000 -0.312 0.000 1.280 283 F HN 0.558 nan 8.300 nan 0.000 0.463 284 G N 0.516 109.204 108.800 -0.187 0.000 2.495 284 G HA2 0.732 4.692 3.960 -0.000 0.000 0.294 284 G HA3 0.732 4.692 3.960 -0.000 0.000 0.294 284 G C -1.686 173.320 174.900 0.177 0.000 1.397 284 G CA -0.332 44.599 45.100 -0.282 0.000 0.790 284 G HN 1.489 nan 8.290 nan 0.000 0.486 285 T N -2.173 112.467 114.554 0.142 0.000 2.927 285 T HA 0.453 4.803 4.350 -0.000 0.000 0.350 285 T C 1.232 175.977 174.700 0.075 0.000 1.746 285 T CA 1.072 63.235 62.100 0.105 0.000 1.081 285 T CB 0.822 69.801 68.868 0.185 0.000 1.551 285 T HN 1.553 nan 8.240 nan 0.000 0.489 286 T N 1.626 116.187 114.554 0.011 0.000 3.035 286 T HA 0.174 4.524 4.350 -0.000 0.000 0.268 286 T C 1.646 176.347 174.700 0.002 0.000 1.109 286 T CA 0.991 63.091 62.100 -0.001 0.000 1.119 286 T CB -0.579 68.272 68.868 -0.029 0.000 0.900 286 T HN 0.916 nan 8.240 nan 0.000 0.503 287 L N -0.088 121.143 121.223 0.013 0.000 3.898 287 L HA -0.248 4.092 4.340 -0.000 0.000 0.407 287 L C 1.646 178.527 176.870 0.017 0.000 1.207 287 L CA 0.503 55.352 54.840 0.016 0.000 0.931 287 L CB -1.677 40.359 42.059 -0.038 0.000 2.014 287 L HN 0.396 nan 8.230 nan 0.000 0.858 288 Q N -0.215 119.584 119.800 -0.002 0.000 2.096 288 Q HA 0.002 4.342 4.340 -0.000 0.000 0.197 288 Q C 1.284 177.286 176.000 0.003 0.000 0.964 288 Q CA 1.430 57.230 55.803 -0.006 0.000 0.838 288 Q CB 0.254 28.975 28.738 -0.028 0.000 0.906 288 Q HN 0.753 nan 8.270 nan 0.000 0.444 289 S N -0.433 115.263 115.700 -0.007 0.000 2.616 289 S HA 0.194 4.664 4.470 -0.000 0.000 0.277 289 S C 0.925 175.561 174.600 0.060 0.000 1.234 289 S CA -0.582 57.619 58.200 0.002 0.000 1.028 289 S CB 1.597 64.767 63.200 -0.049 0.000 0.988 289 S HN 0.043 nan 8.310 nan 0.000 0.522 290 T N 1.830 116.432 114.554 0.080 0.000 2.962 290 T HA -0.075 4.275 4.350 -0.000 0.000 0.270 290 T C 1.731 176.554 174.700 0.205 0.000 1.088 290 T CA 1.776 63.957 62.100 0.135 0.000 1.127 290 T CB -0.724 68.216 68.868 0.120 0.000 0.883 290 T HN 0.784 nan 8.240 nan 0.000 0.493 291 T N 2.182 116.845 114.554 0.182 0.000 2.737 291 T HA -0.108 4.242 4.350 -0.000 0.000 0.265 291 T C 1.670 176.602 174.700 0.386 0.000 1.038 291 T CA 1.228 63.504 62.100 0.294 0.000 1.144 291 T CB -0.382 68.513 68.868 0.045 0.000 0.866 291 T HN 0.354 nan 8.240 nan 0.000 0.434 292 D N 1.283 121.809 120.400 0.210 0.000 2.144 292 D HA -0.056 4.584 4.640 -0.000 0.000 0.200 292 D C 2.379 178.960 176.300 0.469 0.000 0.978 292 D CA 0.886 55.076 54.000 0.318 0.000 0.833 292 D CB -0.293 40.575 40.800 0.113 0.000 0.961 292 D HN 0.480 nan 8.370 nan 0.000 0.470 293 Q N -0.054 119.943 119.800 0.329 0.000 2.084 293 Q HA -0.086 4.254 4.340 -0.000 0.000 0.202 293 Q C 2.065 178.324 176.000 0.431 0.000 0.978 293 Q CA 1.444 57.459 55.803 0.353 0.000 0.844 293 Q CB -0.130 28.792 28.738 0.307 0.000 0.898 293 Q HN 0.228 nan 8.270 nan 0.000 0.426 294 T N 0.052 114.848 114.554 0.404 0.000 2.857 294 T HA -0.165 4.184 4.350 -0.000 0.000 0.266 294 T C 1.058 176.005 174.700 0.411 0.000 1.048 294 T CA 1.059 63.366 62.100 0.345 0.000 1.139 294 T CB -0.364 68.686 68.868 0.303 0.000 0.874 294 T HN 0.504 nan 8.240 nan 0.000 0.455 295 W N 1.634 123.204 121.300 0.450 0.000 2.358 295 W HA -0.059 4.601 4.660 -0.000 0.000 0.303 295 W C 1.778 178.575 176.519 0.463 0.000 1.208 295 W CA 0.458 58.156 57.345 0.589 0.000 1.274 295 W CB -0.638 29.282 29.460 0.767 0.000 1.138 295 W HN 0.116 nan 8.180 nan 0.000 0.515 296 L N 1.718 123.080 121.223 0.232 0.000 2.027 296 L HA -0.157 4.183 4.340 -0.000 0.000 0.206 296 L C 2.460 179.370 176.870 0.067 0.000 1.074 296 L CA 2.001 56.810 54.840 -0.053 0.000 0.745 296 L CB -1.128 41.034 42.059 0.172 0.000 0.898 296 L HN -0.177 nan 8.230 nan 0.000 0.433 297 K N -0.868 119.679 120.400 0.244 0.000 2.032 297 K HA -0.134 4.186 4.320 -0.000 0.000 0.209 297 K C 1.990 178.632 176.600 0.069 0.000 1.048 297 K CA 1.968 58.344 56.287 0.148 0.000 0.927 297 K CB -0.937 31.639 32.500 0.126 0.000 0.712 297 K HN 0.396 nan 8.250 nan 0.000 0.441 298 T N 2.552 117.165 114.554 0.098 0.000 2.622 298 T HA -0.174 4.176 4.350 -0.000 0.000 0.266 298 T C 1.904 176.689 174.700 0.142 0.000 1.047 298 T CA 1.417 63.602 62.100 0.141 0.000 1.159 298 T CB -0.414 68.570 68.868 0.194 0.000 0.863 298 T HN 0.103 nan 8.240 nan 0.000 0.422 299 L N 1.379 122.569 121.223 -0.057 0.000 2.079 299 L HA -0.057 4.283 4.340 -0.000 0.000 0.210 299 L C 2.420 179.077 176.870 -0.355 0.000 1.081 299 L CA 1.432 55.963 54.840 -0.516 0.000 0.752 299 L CB -0.724 40.700 42.059 -1.058 0.000 0.896 299 L HN 0.086 nan 8.230 nan 0.000 0.433 300 V N -0.539 119.236 119.914 -0.232 0.000 2.392 300 V HA -0.288 3.832 4.120 -0.000 0.000 0.249 300 V C 2.681 178.716 176.094 -0.098 0.000 1.059 300 V CA 1.715 63.902 62.300 -0.189 0.000 1.051 300 V CB -0.665 31.094 31.823 -0.107 0.000 0.658 300 V HN 0.529 nan 8.190 nan 0.000 0.455 301 Q N -1.108 118.684 119.800 -0.013 0.000 2.079 301 Q HA -0.195 4.145 4.340 -0.000 0.000 0.200 301 Q C 2.104 178.153 176.000 0.081 0.000 0.974 301 Q CA 1.869 57.703 55.803 0.052 0.000 0.840 301 Q CB -0.525 28.261 28.738 0.080 0.000 0.898 301 Q HN 0.793 nan 8.270 nan 0.000 0.430 302 Y N 1.080 121.357 120.300 -0.038 0.000 2.207 302 Y HA -0.175 4.375 4.550 -0.000 0.000 0.287 302 Y C 1.914 177.753 175.900 -0.102 0.000 1.156 302 Y CA 1.222 59.300 58.100 -0.036 0.000 1.182 302 Y CB -0.220 38.235 38.460 -0.007 0.000 0.979 302 Y HN 0.031 nan 8.280 nan 0.000 0.521 303 L N 0.349 121.552 121.223 -0.033 0.000 2.456 303 L HA -0.088 4.252 4.340 -0.000 0.000 0.224 303 L C 0.115 177.047 176.870 0.103 0.000 1.148 303 L CA 0.778 55.615 54.840 -0.005 0.000 0.825 303 L CB -0.460 41.498 42.059 -0.167 0.000 0.937 303 L HN 0.168 nan 8.230 nan 0.000 0.450 304 R N -1.917 118.587 120.500 0.006 0.000 1.688 304 R HA -0.097 4.243 4.340 -0.000 0.000 0.399 304 R C -2.541 173.904 176.300 0.240 0.000 1.219 304 R CA -0.457 55.664 56.100 0.035 0.000 0.891 304 R CB -1.418 28.686 30.300 -0.326 0.000 2.839 304 R HN -0.043 nan 8.270 nan 0.000 0.493 305 P HA -0.030 nan 4.420 nan 0.000 0.265 305 P C 0.659 178.086 177.300 0.212 0.000 1.193 305 P CA 0.220 63.432 63.100 0.186 0.000 0.765 305 P CB 0.734 32.508 31.700 0.124 0.000 0.823 306 T N 2.032 116.678 114.554 0.153 0.000 2.759 306 T HA -0.211 4.139 4.350 -0.000 0.000 0.269 306 T C 1.784 176.520 174.700 0.061 0.000 1.042 306 T CA 1.789 63.967 62.100 0.131 0.000 1.140 306 T CB -0.539 68.399 68.868 0.117 0.000 0.864 306 T HN 0.442 nan 8.240 nan 0.000 0.455 307 A N 1.317 124.151 122.820 0.023 0.000 1.940 307 A HA -0.192 4.128 4.320 -0.000 0.000 0.219 307 A C 2.304 179.838 177.584 -0.082 0.000 1.176 307 A CA 1.652 53.675 52.037 -0.024 0.000 0.631 307 A CB -0.542 18.441 19.000 -0.030 0.000 0.814 307 A HN 0.558 nan 8.150 nan 0.000 0.446 308 Q N -2.133 117.574 119.800 -0.155 0.000 2.036 308 Q HA -0.018 4.322 4.340 -0.000 0.000 0.195 308 Q C 1.534 177.256 176.000 -0.464 0.000 0.971 308 Q CA 1.561 57.116 55.803 -0.413 0.000 0.826 308 Q CB -0.128 28.166 28.738 -0.740 0.000 0.896 308 Q HN 0.834 nan 8.270 nan 0.000 0.449 309 Y N -0.490 119.833 120.300 0.038 0.000 2.478 309 Y HA 0.291 4.840 4.550 -0.000 0.000 0.261 309 Y C 1.400 177.331 175.900 0.051 0.000 1.127 309 Y CA 0.119 58.249 58.100 0.050 0.000 1.288 309 Y CB 0.117 38.620 38.460 0.071 0.000 1.084 309 Y HN 0.224 nan 8.280 nan 0.000 0.530 310 G N 1.484 110.380 108.800 0.160 0.000 2.596 310 G HA2 -0.392 3.568 3.960 -0.000 0.000 0.295 310 G HA3 -0.392 3.568 3.960 -0.000 0.000 0.295 310 G C 1.323 176.307 174.900 0.139 0.000 1.240 310 G CA 0.590 45.759 45.100 0.115 0.000 0.985 310 G HN 0.625 nan 8.290 nan 0.000 0.555 311 A N -0.364 122.515 122.820 0.098 0.000 2.206 311 A HA 0.359 4.679 4.320 -0.000 0.000 0.211 311 A C 1.342 178.995 177.584 0.114 0.000 1.158 311 A CA 1.788 53.878 52.037 0.088 0.000 0.761 311 A CB -0.146 18.871 19.000 0.028 0.000 0.801 311 A HN 0.783 nan 8.150 nan 0.000 0.473 312 D N 0.883 121.370 120.400 0.146 0.000 2.619 312 D HA 0.371 5.011 4.640 -0.000 0.000 0.224 312 D C 0.069 176.524 176.300 0.258 0.000 1.133 312 D CA 0.548 54.659 54.000 0.185 0.000 1.017 312 D CB -0.172 40.718 40.800 0.150 0.000 1.077 312 D HN 0.349 nan 8.370 nan 0.000 0.503 313 S N -0.317 115.484 115.700 0.169 0.000 2.727 313 S HA 0.490 4.960 4.470 -0.000 0.000 0.278 313 S C -0.505 173.895 174.600 -0.333 0.000 1.186 313 S CA -1.034 57.095 58.200 -0.118 0.000 0.836 313 S CB 0.319 63.564 63.200 0.076 0.000 1.186 313 S HN 0.054 nan 8.310 nan 0.000 0.499 314 F N 2.193 121.968 119.950 -0.292 0.000 2.429 314 F HA 0.392 4.919 4.527 -0.000 0.000 0.348 314 F C 1.206 177.138 175.800 0.220 0.000 1.109 314 F CA -0.185 57.749 58.000 -0.110 0.000 1.232 314 F CB 0.688 39.626 39.000 -0.102 0.000 1.157 314 F HN 0.343 nan 8.300 nan 0.000 0.564 315 Q N 3.826 123.923 119.800 0.496 0.000 2.306 315 Q HA 0.267 4.607 4.340 -0.000 0.000 0.241 315 Q C -0.519 175.948 176.000 0.778 0.000 0.948 315 Q CA -0.290 55.826 55.803 0.522 0.000 0.886 315 Q CB 1.716 30.706 28.738 0.420 0.000 1.227 315 Q HN 0.806 nan 8.270 nan 0.000 0.457 316 W N -0.684 120.963 121.300 0.579 0.000 3.248 316 W HA 0.529 5.189 4.660 -0.000 0.000 0.311 316 W C -1.557 175.358 176.519 0.660 0.000 1.258 316 W CA -0.991 56.693 57.345 0.565 0.000 1.191 316 W CB 0.702 30.393 29.460 0.386 0.000 1.389 316 W HN 0.540 nan 8.180 nan 0.000 0.561 317 T N 0.266 115.270 114.554 0.750 0.000 3.170 317 T HA 0.395 4.745 4.350 -0.000 0.000 0.315 317 T C -1.225 173.804 174.700 0.549 0.000 0.967 317 T CA -0.313 62.086 62.100 0.499 0.000 1.024 317 T CB 1.407 70.572 68.868 0.495 0.000 1.018 317 T HN 0.383 nan 8.240 nan 0.000 0.449 318 F N 3.404 123.549 119.950 0.325 0.000 2.444 318 F HA 0.586 5.113 4.527 -0.000 0.000 0.331 318 F C -0.064 175.742 175.800 0.008 0.000 1.167 318 F CA -0.499 57.421 58.000 -0.132 0.000 1.262 318 F CB 0.655 39.615 39.000 -0.066 0.000 1.196 318 F HN 0.713 nan 8.300 nan 0.000 0.583 319 W N 6.324 127.070 121.300 -0.925 0.000 2.424 319 W HA 0.493 5.153 4.660 -0.000 0.000 0.318 319 W C -1.434 174.732 176.519 -0.589 0.000 1.016 319 W CA -0.519 56.531 57.345 -0.492 0.000 1.268 319 W CB 1.309 30.588 29.460 -0.302 0.000 1.297 319 W HN 0.708 nan 8.180 nan 0.000 0.428 320 S N 4.056 119.559 115.700 -0.328 0.000 2.794 320 S HA 0.367 4.837 4.470 -0.000 0.000 0.299 320 S C 0.194 174.735 174.600 -0.098 0.000 1.179 320 S CA -0.773 57.188 58.200 -0.399 0.000 0.838 320 S CB 1.909 64.543 63.200 -0.944 0.000 1.206 320 S HN 0.701 nan 8.310 nan 0.000 0.523 321 W N 1.647 122.769 121.300 -0.297 0.000 2.443 321 W HA 0.078 4.738 4.660 -0.000 0.000 0.296 321 W C -0.521 175.789 176.519 -0.348 0.000 1.202 321 W CA 0.799 57.954 57.345 -0.315 0.000 1.312 321 W CB -0.442 28.784 29.460 -0.390 0.000 1.120 321 W HN 0.649 nan 8.180 nan 0.000 0.536 322 N N 2.409 120.912 118.700 -0.329 0.000 2.412 322 N HA -0.062 4.678 4.740 -0.000 0.000 0.254 322 N C -1.561 173.630 175.510 -0.531 0.000 1.232 322 N CA -0.161 52.570 53.050 -0.532 0.000 0.880 322 N CB 0.316 38.450 38.487 -0.588 0.000 1.076 322 N HN 0.094 nan 8.380 nan 0.000 0.458 323 P HA -0.029 nan 4.420 nan 0.000 0.235 323 P C -0.418 176.758 177.300 -0.208 0.000 1.177 323 P CA 0.675 63.468 63.100 -0.511 0.000 0.785 323 P CB 0.212 31.480 31.700 -0.719 0.000 0.885 324 D N 0.052 120.406 120.400 -0.077 0.000 3.085 324 D HA 0.067 4.707 4.640 -0.000 0.000 0.243 324 D C -0.377 176.132 176.300 0.347 0.000 1.232 324 D CA -0.357 53.756 54.000 0.188 0.000 0.913 324 D CB -0.481 40.548 40.800 0.380 0.000 1.108 324 D HN -0.115 nan 8.370 nan 0.000 0.468 325 S N -0.479 115.372 115.700 0.250 0.000 2.566 325 S HA 0.518 4.988 4.470 -0.000 0.000 0.324 325 S C 1.501 176.185 174.600 0.140 0.000 1.081 325 S CA -0.266 58.112 58.200 0.297 0.000 1.105 325 S CB 1.047 64.472 63.200 0.374 0.000 0.981 325 S HN 0.312 nan 8.310 nan 0.000 0.464 326 G N 3.923 112.782 108.800 0.097 0.000 2.855 326 G HA2 -0.295 3.665 3.960 -0.000 0.000 0.227 326 G HA3 -0.295 3.665 3.960 -0.000 0.000 0.227 326 G C 0.371 175.260 174.900 -0.019 0.000 1.245 326 G CA 1.738 46.852 45.100 0.023 0.000 0.781 326 G HN 0.846 nan 8.290 nan 0.000 0.666 327 D N -0.941 119.418 120.400 -0.069 0.000 2.738 327 D HA 0.287 4.927 4.640 -0.000 0.000 0.246 327 D C 1.223 177.458 176.300 -0.109 0.000 1.270 327 D CA 0.718 54.654 54.000 -0.107 0.000 0.833 327 D CB 0.181 40.886 40.800 -0.158 0.000 1.040 327 D HN 0.448 nan 8.370 nan 0.000 0.487 328 T N -5.252 109.284 114.554 -0.030 0.000 3.100 328 T HA 0.444 4.794 4.350 -0.000 0.000 0.255 328 T C 1.242 175.963 174.700 0.036 0.000 0.893 328 T CA 0.133 62.241 62.100 0.013 0.000 0.882 328 T CB 0.192 69.127 68.868 0.111 0.000 1.266 328 T HN 0.476 nan 8.240 nan 0.000 0.528 329 G N 0.602 109.421 108.800 0.031 0.000 2.601 329 G HA2 0.324 4.284 3.960 -0.000 0.000 0.252 329 G HA3 0.324 4.284 3.960 -0.000 0.000 0.252 329 G C 0.081 174.971 174.900 -0.018 0.000 1.294 329 G CA -0.304 44.791 45.100 -0.007 0.000 0.912 329 G HN 1.600 nan 8.290 nan 0.000 0.574 330 G N -3.130 105.625 108.800 -0.074 0.000 2.682 330 G HA2 0.641 4.601 3.960 -0.000 0.000 0.303 330 G HA3 0.641 4.601 3.960 -0.000 0.000 0.303 330 G C 0.689 175.521 174.900 -0.112 0.000 1.341 330 G CA 0.203 45.244 45.100 -0.097 0.000 0.784 330 G HN 0.828 nan 8.290 nan 0.000 0.497 331 I N -0.080 120.400 120.570 -0.151 0.000 2.286 331 I HA 0.119 4.289 4.170 -0.000 0.000 0.245 331 I C 1.464 177.348 176.117 -0.390 0.000 1.104 331 I CA 1.075 62.268 61.300 -0.178 0.000 1.397 331 I CB -0.925 37.038 38.000 -0.061 0.000 1.072 331 I HN 0.163 nan 8.210 nan 0.000 0.417 332 L N 0.641 121.430 121.223 -0.724 0.000 2.439 332 L HA 0.150 4.489 4.340 -0.000 0.000 0.261 332 L C 0.714 177.260 176.870 -0.540 0.000 1.153 332 L CA -0.137 54.257 54.840 -0.743 0.000 0.808 332 L CB 0.807 42.205 42.059 -1.101 0.000 1.126 332 L HN 0.051 nan 8.230 nan 0.000 0.460 333 K N 0.245 120.397 120.400 -0.415 0.000 2.240 333 K HA 0.133 4.453 4.320 -0.000 0.000 0.237 333 K C 0.415 176.786 176.600 -0.381 0.000 1.027 333 K CA -0.883 55.217 56.287 -0.313 0.000 0.937 333 K CB 0.608 32.998 32.500 -0.184 0.000 1.171 333 K HN 0.465 nan 8.250 nan 0.000 0.479 334 D N 1.623 121.873 120.400 -0.250 0.000 2.357 334 D HA -0.155 4.485 4.640 -0.000 0.000 0.216 334 D C 0.792 177.043 176.300 -0.082 0.000 0.973 334 D CA 1.343 55.229 54.000 -0.190 0.000 0.912 334 D CB -0.036 40.720 40.800 -0.074 0.000 0.900 334 D HN 0.496 nan 8.370 nan 0.000 0.501 335 D N -1.771 118.591 120.400 -0.064 0.000 2.339 335 D HA -0.119 4.521 4.640 -0.000 0.000 0.217 335 D C 0.201 176.631 176.300 0.215 0.000 1.050 335 D CA -0.332 53.725 54.000 0.095 0.000 0.856 335 D CB -0.770 40.062 40.800 0.053 0.000 0.922 335 D HN 0.168 nan 8.370 nan 0.000 0.518 336 W N -0.170 121.081 121.300 -0.082 0.000 5.361 336 W HA -0.235 4.425 4.660 -0.000 0.000 0.385 336 W C 1.250 177.691 176.519 -0.130 0.000 1.458 336 W CA 0.746 58.003 57.345 -0.146 0.000 0.922 336 W CB -2.026 27.377 29.460 -0.095 0.000 2.606 336 W HN 0.277 nan 8.180 nan 0.000 1.450 337 Q N -2.017 117.778 119.800 -0.008 0.000 2.340 337 Q HA 0.111 4.451 4.340 -0.000 0.000 0.173 337 Q C 0.783 176.752 176.000 -0.051 0.000 0.692 337 Q CA 1.360 57.167 55.803 0.007 0.000 0.904 337 Q CB 0.130 28.898 28.738 0.049 0.000 1.228 337 Q HN -0.038 nan 8.270 nan 0.000 0.387 338 T N 1.933 116.443 114.554 -0.072 0.000 2.834 338 T HA 0.414 4.764 4.350 -0.000 0.000 0.298 338 T C -0.222 174.400 174.700 -0.131 0.000 0.966 338 T CA -0.090 61.965 62.100 -0.076 0.000 1.141 338 T CB 0.888 69.719 68.868 -0.062 0.000 0.905 338 T HN 0.122 nan 8.240 nan 0.000 0.535 339 V N 3.194 123.054 119.914 -0.090 0.000 2.834 339 V HA 0.164 4.283 4.120 -0.000 0.000 0.301 339 V C 0.760 176.807 176.094 -0.078 0.000 1.066 339 V CA -0.603 61.637 62.300 -0.101 0.000 1.052 339 V CB 1.436 33.250 31.823 -0.015 0.000 1.021 339 V HN 0.805 nan 8.190 nan 0.000 0.480 340 D N 2.381 122.730 120.400 -0.084 0.000 2.524 340 D HA 0.076 4.716 4.640 -0.000 0.000 0.222 340 D C 1.515 177.810 176.300 -0.007 0.000 1.142 340 D CA 0.169 54.138 54.000 -0.051 0.000 0.973 340 D CB 0.822 41.582 40.800 -0.067 0.000 1.025 340 D HN 0.772 nan 8.370 nan 0.000 0.519 341 T N -0.932 113.625 114.554 0.006 0.000 2.869 341 T HA -0.162 4.188 4.350 -0.000 0.000 0.270 341 T C 1.883 176.614 174.700 0.052 0.000 1.082 341 T CA 0.954 63.072 62.100 0.029 0.000 1.123 341 T CB -0.145 68.737 68.868 0.022 0.000 0.856 341 T HN 0.135 nan 8.240 nan 0.000 0.499 342 V N 1.602 121.552 119.914 0.059 0.000 2.255 342 V HA -0.071 4.049 4.120 -0.000 0.000 0.243 342 V C 2.819 179.016 176.094 0.171 0.000 1.038 342 V CA 1.961 64.331 62.300 0.117 0.000 1.008 342 V CB -0.652 31.232 31.823 0.102 0.000 0.645 342 V HN 0.478 nan 8.190 nan 0.000 0.449 343 K N 0.070 120.503 120.400 0.055 0.000 2.063 343 K HA -0.284 4.036 4.320 -0.000 0.000 0.208 343 K C 1.937 178.525 176.600 -0.019 0.000 1.048 343 K CA 2.157 58.415 56.287 -0.048 0.000 0.928 343 K CB -0.351 32.116 32.500 -0.055 0.000 0.713 343 K HN 0.486 nan 8.250 nan 0.000 0.442 344 D N -0.451 119.960 120.400 0.019 0.000 2.182 344 D HA -0.105 4.535 4.640 -0.000 0.000 0.201 344 D C 1.733 178.069 176.300 0.060 0.000 0.986 344 D CA 1.437 55.466 54.000 0.048 0.000 0.847 344 D CB -0.303 40.553 40.800 0.093 0.000 0.942 344 D HN 0.393 nan 8.370 nan 0.000 0.467 345 G N -1.153 107.709 108.800 0.104 0.000 2.422 345 G HA2 -0.281 3.679 3.960 -0.000 0.000 0.218 345 G HA3 -0.281 3.679 3.960 -0.000 0.000 0.218 345 G C 1.272 176.230 174.900 0.097 0.000 1.146 345 G CA 0.689 45.840 45.100 0.086 0.000 0.769 345 G HN 0.308 nan 8.290 nan 0.000 0.547 346 Y N 0.563 120.824 120.300 -0.066 0.000 2.274 346 Y HA 0.071 4.621 4.550 -0.000 0.000 0.290 346 Y C 2.606 178.426 175.900 -0.134 0.000 1.145 346 Y CA 0.653 58.706 58.100 -0.079 0.000 1.203 346 Y CB -0.117 38.305 38.460 -0.063 0.000 0.984 346 Y HN 0.097 nan 8.280 nan 0.000 0.533 347 L N -1.271 119.946 121.223 -0.010 0.000 2.554 347 L HA 0.027 4.367 4.340 -0.000 0.000 0.226 347 L C 2.474 179.293 176.870 -0.085 0.000 1.137 347 L CA 0.461 55.210 54.840 -0.151 0.000 0.863 347 L CB -0.715 41.239 42.059 -0.175 0.000 0.985 347 L HN 0.145 nan 8.230 nan 0.000 0.451 348 A N 1.787 124.585 122.820 -0.037 0.000 1.892 348 A HA -0.150 4.170 4.320 -0.000 0.000 0.218 348 A C 0.175 177.752 177.584 -0.012 0.000 1.188 348 A CA 1.805 53.827 52.037 -0.025 0.000 0.631 348 A CB -1.770 17.212 19.000 -0.030 0.000 0.822 348 A HN 0.328 nan 8.150 nan 0.000 0.447 349 P HA -0.079 nan 4.420 nan 0.000 0.225 349 P C 1.058 178.374 177.300 0.026 0.000 1.148 349 P CA 1.238 64.334 63.100 -0.006 0.000 0.779 349 P CB -0.251 31.438 31.700 -0.019 0.000 0.780 350 I N -4.879 115.695 120.570 0.006 0.000 4.082 350 I HA 0.307 4.477 4.170 -0.000 0.000 0.337 350 I C 0.375 176.746 176.117 0.424 0.000 1.352 350 I CA -0.637 60.718 61.300 0.091 0.000 1.097 350 I CB -0.077 37.791 38.000 -0.220 0.000 1.048 350 I HN -0.318 nan 8.210 nan 0.000 0.393 351 K N 1.540 122.147 120.400 0.345 0.000 2.219 351 K HA 0.367 4.687 4.320 -0.000 0.000 0.258 351 K C 0.228 176.942 176.600 0.190 0.000 1.008 351 K CA -0.115 56.398 56.287 0.376 0.000 0.928 351 K CB 1.433 34.008 32.500 0.124 0.000 0.983 351 K HN 0.197 nan 8.250 nan 0.000 0.484 352 S N -0.141 115.611 115.700 0.087 0.000 2.993 352 S HA 0.439 4.909 4.470 -0.000 0.000 0.281 352 S C -0.921 173.613 174.600 -0.110 0.000 1.033 352 S CA -0.673 57.530 58.200 0.005 0.000 0.950 352 S CB 0.776 63.983 63.200 0.011 0.000 1.349 352 S HN 0.641 nan 8.310 nan 0.000 0.652 353 S N 1.032 116.618 115.700 -0.190 0.000 2.621 353 S HA 0.647 5.117 4.470 -0.000 0.000 0.302 353 S C -0.248 174.056 174.600 -0.493 0.000 1.093 353 S CA -0.842 57.206 58.200 -0.254 0.000 1.017 353 S CB 0.497 63.595 63.200 -0.170 0.000 1.077 353 S HN 0.568 nan 8.310 nan 0.000 0.517 354 I N 1.830 122.167 120.570 -0.388 0.000 2.813 354 I HA 0.154 4.324 4.170 -0.000 0.000 0.287 354 I C 0.176 176.021 176.117 -0.454 0.000 1.196 354 I CA -0.082 60.956 61.300 -0.436 0.000 1.421 354 I CB -0.529 37.346 38.000 -0.210 0.000 1.365 354 I HN 0.597 nan 8.210 nan 0.000 0.591 355 F N 2.436 122.387 119.950 0.002 0.000 2.364 355 F HA 0.280 4.807 4.527 -0.000 0.000 0.316 355 F C 0.923 176.725 175.800 0.002 0.000 1.133 355 F CA -0.715 57.298 58.000 0.022 0.000 1.051 355 F CB 0.072 39.130 39.000 0.097 0.000 1.342 355 F HN 0.348 nan 8.300 nan 0.000 0.507 356 D N 0.934 121.483 120.400 0.249 0.000 2.382 356 D HA 0.215 4.855 4.640 -0.000 0.000 0.245 356 D C -2.293 174.058 176.300 0.085 0.000 1.120 356 D CA -1.137 52.933 54.000 0.117 0.000 0.890 356 D CB 0.306 41.163 40.800 0.095 0.000 1.201 356 D HN 0.030 nan 8.370 nan 0.000 0.433 357 P HA 0.022 nan 4.420 nan 0.000 0.268 357 P C -0.296 176.999 177.300 -0.008 0.000 1.208 357 P CA -0.105 62.991 63.100 -0.006 0.000 0.777 357 P CB 0.731 32.418 31.700 -0.022 0.000 0.875 358 V N 0.000 119.894 119.914 -0.033 0.000 2.409 358 V HA 0.000 4.120 4.120 -0.000 0.000 0.244 358 V CA 0.000 62.272 62.300 -0.047 0.000 1.235 358 V CB 0.000 31.772 31.823 -0.085 0.000 1.184 358 V HN 0.000 nan 8.190 nan 0.000 0.556