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 3hdy_1_C DATA FIRST_RESID 33 DATA SEQUENCE LIVGAGFAGS VLAERLASSG QRVLIVDRRP HIGGNAYDCY DDAGVLIHPY DATA SEQUENCE GPHIFHTNSK DVFEYLSRFT EWRPYQHRVL ASVDGQLLPI PINLDTVNRL DATA SEQUENCE YGLNLTSFQV EEFFASVAEK VEQVRTSEDV VVSKVGRDLY NKFFRGYTRK DATA SEQUENCE QWGLDPSELD ASVTARVPTR TNRDNRYFAD TYQAMPLHGY TRMFQNMLSS DATA SEQUENCE PNIKVMLNTD YREIADFIPF QHMIYTGPVD AFFDFCYGKL PYRSLEFRHE DATA SEQUENCE THDTEQLLPT GTVNYPNDYA YTRVSEFKHI TGQRHHQTSV VYEYPRAEGD DATA SEQUENCE PYYPVPRPEN AELYKKYEAL ADAAQDVTFV GRLATYRYYN MDQVVAQAL 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 33 L HA 0.000 nan 4.340 nan 0.000 0.249 33 L C 0.000 176.795 176.870 -0.126 0.000 1.165 33 L CA 0.000 54.748 54.840 -0.153 0.000 0.813 33 L CB 0.000 41.632 42.059 -0.711 0.000 0.961 34 I N 5.076 125.589 120.570 -0.094 0.000 2.304 34 I HA 0.364 4.533 4.170 -0.001 0.000 0.291 34 I C -0.029 176.001 176.117 -0.144 0.000 1.018 34 I CA -0.888 60.347 61.300 -0.110 0.000 1.260 34 I CB 1.626 39.583 38.000 -0.072 0.000 1.390 34 I HN 0.263 nan 8.210 nan 0.000 0.475 35 V N 6.134 125.939 119.914 -0.182 0.000 2.267 35 V HA 0.631 4.751 4.120 -0.001 0.000 0.254 35 V C 0.584 176.539 176.094 -0.231 0.000 1.144 35 V CA -0.309 61.881 62.300 -0.183 0.000 0.992 35 V CB -0.160 31.543 31.823 -0.201 0.000 1.199 35 V HN 1.048 nan 8.190 nan 0.000 0.493 36 G N 3.308 112.002 108.800 -0.176 0.000 2.677 36 G HA2 0.367 4.327 3.960 -0.001 0.000 0.321 36 G HA3 0.367 4.327 3.960 -0.001 0.000 0.321 36 G C -0.149 174.666 174.900 -0.140 0.000 1.449 36 G CA -0.217 44.773 45.100 -0.183 0.000 1.064 36 G HN 0.902 nan 8.290 nan 0.000 0.627 37 A N 1.203 123.929 122.820 -0.157 0.000 2.460 37 A HA 0.719 5.039 4.320 -0.001 0.000 0.258 37 A C 1.518 178.995 177.584 -0.178 0.000 1.300 37 A CA 1.184 53.135 52.037 -0.143 0.000 0.913 37 A CB -0.119 18.779 19.000 -0.171 0.000 1.031 37 A HN 1.928 nan 8.150 nan 0.000 0.512 38 G N -1.660 107.051 108.800 -0.148 0.000 2.588 38 G HA2 0.363 4.322 3.960 -0.001 0.000 0.278 38 G HA3 0.363 4.322 3.960 -0.001 0.000 0.278 38 G C 0.604 175.565 174.900 0.100 0.000 1.307 38 G CA -0.484 44.539 45.100 -0.128 0.000 1.016 38 G HN 0.167 nan 8.290 nan 0.000 0.503 39 F N 0.762 120.875 119.950 0.271 0.000 2.043 39 F HA -0.246 4.280 4.527 -0.001 0.000 0.297 39 F C 3.130 179.025 175.800 0.158 0.000 1.118 39 F CA 2.291 60.475 58.000 0.306 0.000 1.202 39 F CB -0.374 38.780 39.000 0.256 0.000 0.965 39 F HN 0.401 nan 8.300 nan 0.000 0.482 40 A N 0.316 123.319 122.820 0.305 0.000 1.869 40 A HA -0.231 4.088 4.320 -0.001 0.000 0.218 40 A C 2.498 180.139 177.584 0.095 0.000 1.203 40 A CA 2.309 54.445 52.037 0.165 0.000 0.638 40 A CB -1.732 17.336 19.000 0.112 0.000 0.831 40 A HN 0.461 nan 8.150 nan 0.000 0.450 41 G N -1.666 107.164 108.800 0.049 0.000 2.408 41 G HA2 -0.058 3.902 3.960 -0.001 0.000 0.217 41 G HA3 -0.058 3.902 3.960 -0.001 0.000 0.217 41 G C 1.755 176.671 174.900 0.026 0.000 1.150 41 G CA 1.244 46.343 45.100 -0.002 0.000 0.776 41 G HN 0.501 nan 8.290 nan 0.000 0.542 42 S N -0.229 115.519 115.700 0.080 0.000 2.461 42 S HA -0.043 4.426 4.470 -0.001 0.000 0.228 42 S C 2.580 177.191 174.600 0.019 0.000 1.005 42 S CA 1.064 59.306 58.200 0.070 0.000 0.942 42 S CB 0.038 63.365 63.200 0.212 0.000 0.776 42 S HN 0.435 nan 8.310 nan 0.000 0.514 43 V N 0.234 120.199 119.914 0.085 0.000 2.302 43 V HA 0.016 4.135 4.120 -0.001 0.000 0.243 43 V C 1.979 178.132 176.094 0.099 0.000 1.036 43 V CA 1.027 63.404 62.300 0.128 0.000 1.020 43 V CB -1.208 30.733 31.823 0.198 0.000 0.657 43 V HN 0.368 nan 8.190 nan 0.000 0.453 44 L N 1.041 122.300 121.223 0.061 0.000 2.043 44 L HA -0.186 4.153 4.340 -0.001 0.000 0.212 44 L C 3.104 179.996 176.870 0.036 0.000 1.075 44 L CA 1.992 56.853 54.840 0.035 0.000 0.752 44 L CB -1.111 40.947 42.059 -0.002 0.000 0.891 44 L HN 0.469 nan 8.230 nan 0.000 0.432 45 A N -0.225 122.607 122.820 0.020 0.000 1.859 45 A HA -0.285 4.034 4.320 -0.001 0.000 0.217 45 A C 2.337 179.929 177.584 0.012 0.000 1.198 45 A CA 2.068 54.112 52.037 0.012 0.000 0.629 45 A CB -0.681 18.314 19.000 -0.009 0.000 0.830 45 A HN 0.426 nan 8.150 nan 0.000 0.446 46 E N -0.408 119.782 120.200 -0.016 0.000 2.153 46 E HA -0.204 4.145 4.350 -0.001 0.000 0.194 46 E C 2.193 178.835 176.600 0.071 0.000 0.988 46 E CA 0.851 57.235 56.400 -0.027 0.000 0.811 46 E CB -0.163 29.424 29.700 -0.187 0.000 0.746 46 E HN 0.411 nan 8.360 nan 0.000 0.466 47 R N 0.065 120.627 120.500 0.105 0.000 2.056 47 R HA -0.066 4.273 4.340 -0.001 0.000 0.227 47 R C 2.546 178.899 176.300 0.088 0.000 1.149 47 R CA 0.651 56.824 56.100 0.123 0.000 0.937 47 R CB -1.186 29.180 30.300 0.110 0.000 0.835 47 R HN 0.174 nan 8.270 nan 0.000 0.430 48 L N 1.203 122.472 121.223 0.076 0.000 2.187 48 L HA -0.071 4.268 4.340 -0.001 0.000 0.213 48 L C 2.146 179.059 176.870 0.071 0.000 1.100 48 L CA 1.585 56.475 54.840 0.083 0.000 0.765 48 L CB -0.968 41.157 42.059 0.110 0.000 0.904 48 L HN 0.185 nan 8.230 nan 0.000 0.437 49 A N -2.447 120.408 122.820 0.059 0.000 2.264 49 A HA 0.033 4.353 4.320 -0.001 0.000 0.207 49 A C 2.145 179.756 177.584 0.046 0.000 1.196 49 A CA 1.451 53.515 52.037 0.045 0.000 0.778 49 A CB -0.225 18.792 19.000 0.029 0.000 0.779 49 A HN 0.385 nan 8.150 nan 0.000 0.483 50 S N -2.813 112.921 115.700 0.056 0.000 2.761 50 S HA 0.046 4.516 4.470 -0.001 0.000 0.273 50 S C 1.677 176.308 174.600 0.051 0.000 1.073 50 S CA 0.414 58.647 58.200 0.054 0.000 1.048 50 S CB -0.030 63.210 63.200 0.066 0.000 0.955 50 S HN 0.442 nan 8.310 nan 0.000 0.500 51 S N 1.119 116.853 115.700 0.057 0.000 2.444 51 S HA -0.053 4.417 4.470 -0.001 0.000 0.244 51 S C 1.317 175.944 174.600 0.045 0.000 1.025 51 S CA 1.217 59.449 58.200 0.053 0.000 0.995 51 S CB -0.745 62.493 63.200 0.064 0.000 0.781 51 S HN 1.004 nan 8.310 nan 0.000 0.496 52 G N 1.117 109.942 108.800 0.043 0.000 2.367 52 G HA2 -0.260 3.700 3.960 -0.001 0.000 0.295 52 G HA3 -0.260 3.700 3.960 -0.001 0.000 0.295 52 G C -0.317 174.603 174.900 0.035 0.000 1.019 52 G CA 0.600 45.720 45.100 0.034 0.000 1.224 52 G HN 0.587 nan 8.290 nan 0.000 0.510 53 Q N -1.124 118.702 119.800 0.044 0.000 2.252 53 Q HA 0.759 5.098 4.340 -0.001 0.000 0.256 53 Q C 0.513 176.530 176.000 0.029 0.000 1.020 53 Q CA -1.046 54.779 55.803 0.037 0.000 0.913 53 Q CB 0.860 29.640 28.738 0.070 0.000 1.286 53 Q HN 0.453 nan 8.270 nan 0.000 0.480 54 R N 0.630 121.135 120.500 0.009 0.000 2.255 54 R HA 0.559 4.899 4.340 -0.001 0.000 0.326 54 R C -1.490 174.823 176.300 0.022 0.000 0.986 54 R CA -0.448 55.659 56.100 0.012 0.000 0.847 54 R CB 0.738 31.040 30.300 0.002 0.000 1.111 54 R HN 0.473 nan 8.270 nan 0.000 0.452 55 V N 2.607 122.540 119.914 0.031 0.000 2.735 55 V HA 0.568 4.687 4.120 -0.001 0.000 0.310 55 V C -0.811 175.290 176.094 0.013 0.000 1.061 55 V CA -1.090 61.233 62.300 0.038 0.000 0.913 55 V CB 1.957 33.818 31.823 0.062 0.000 1.005 55 V HN 0.655 nan 8.190 nan 0.000 0.428 56 L N 4.518 125.740 121.223 -0.001 0.000 2.325 56 L HA 0.670 5.009 4.340 -0.001 0.000 0.281 56 L C -1.132 175.705 176.870 -0.055 0.000 1.004 56 L CA -0.648 54.173 54.840 -0.031 0.000 0.823 56 L CB 1.524 43.556 42.059 -0.045 0.000 1.236 56 L HN 0.841 nan 8.230 nan 0.000 0.415 57 I N 5.005 125.542 120.570 -0.055 0.000 2.433 57 I HA 0.513 4.682 4.170 -0.001 0.000 0.292 57 I C -1.225 174.843 176.117 -0.081 0.000 1.001 57 I CA -0.474 60.784 61.300 -0.070 0.000 1.119 57 I CB 2.097 40.064 38.000 -0.056 0.000 1.289 57 I HN 0.391 nan 8.210 nan 0.000 0.438 58 V N 6.740 126.597 119.914 -0.095 0.000 3.001 58 V HA 0.639 4.758 4.120 -0.001 0.000 0.314 58 V C -1.365 174.668 176.094 -0.103 0.000 1.099 58 V CA -0.309 61.936 62.300 -0.090 0.000 0.989 58 V CB 2.298 34.073 31.823 -0.079 0.000 1.040 58 V HN 0.759 nan 8.190 nan 0.000 0.434 59 D N 2.101 122.433 120.400 -0.113 0.000 2.977 59 D HA 0.282 4.922 4.640 -0.001 0.000 0.220 59 D C 0.619 176.833 176.300 -0.143 0.000 1.267 59 D CA -0.492 53.420 54.000 -0.146 0.000 0.884 59 D CB 2.107 42.779 40.800 -0.212 0.000 1.667 59 D HN 0.649 nan 8.370 nan 0.000 0.536 60 R N 2.359 122.784 120.500 -0.124 0.000 2.189 60 R HA 0.063 4.402 4.340 -0.001 0.000 0.223 60 R C 0.484 176.695 176.300 -0.147 0.000 1.092 60 R CA 0.287 56.324 56.100 -0.106 0.000 0.989 60 R CB 0.168 30.425 30.300 -0.071 0.000 0.876 60 R HN 0.148 nan 8.270 nan 0.000 0.457 61 R N 1.219 121.577 120.500 -0.237 0.000 2.637 61 R HA 0.118 4.457 4.340 -0.001 0.000 0.269 61 R C -1.854 174.230 176.300 -0.360 0.000 1.089 61 R CA -1.708 54.184 56.100 -0.347 0.000 1.177 61 R CB 0.321 30.245 30.300 -0.627 0.000 1.091 61 R HN 0.045 nan 8.270 nan 0.000 0.540 62 P HA 0.081 nan 4.420 nan 0.000 0.257 62 P C -1.253 175.925 177.300 -0.205 0.000 1.325 62 P CA 0.396 63.378 63.100 -0.197 0.000 0.850 62 P CB 0.143 31.791 31.700 -0.087 0.000 1.324 63 H N -1.620 117.275 119.070 -0.291 0.000 2.966 63 H HA 0.588 5.144 4.556 -0.001 0.000 0.330 63 H C -0.099 175.019 175.328 -0.350 0.000 1.292 63 H CA -1.458 54.356 56.048 -0.390 0.000 1.127 63 H CB 0.301 29.534 29.762 -0.882 0.000 1.863 63 H HN -0.198 nan 8.280 nan 0.000 0.543 64 I N -2.354 118.177 120.570 -0.066 0.000 3.062 64 I HA 0.689 4.858 4.170 -0.001 0.000 0.318 64 I C 0.967 176.914 176.117 -0.284 0.000 1.026 64 I CA -0.542 60.658 61.300 -0.168 0.000 1.096 64 I CB 1.152 39.076 38.000 -0.125 0.000 1.348 64 I HN 1.123 nan 8.210 nan 0.000 0.543 65 G N 0.973 109.289 108.800 -0.806 0.000 2.157 65 G HA2 -0.034 3.925 3.960 -0.001 0.000 0.248 65 G HA3 -0.034 3.925 3.960 -0.001 0.000 0.248 65 G C 0.827 175.239 174.900 -0.814 0.000 0.979 65 G CA 0.374 44.496 45.100 -1.630 0.000 0.650 65 G HN 2.028 nan 8.290 nan 0.000 0.529 66 G N 0.637 109.180 108.800 -0.427 0.000 2.632 66 G HA2 -0.393 3.567 3.960 -0.001 0.000 0.322 66 G HA3 -0.393 3.567 3.960 -0.001 0.000 0.322 66 G C 1.019 175.743 174.900 -0.294 0.000 1.326 66 G CA 1.008 45.935 45.100 -0.288 0.000 0.986 66 G HN 1.048 nan 8.290 nan 0.000 0.541 67 N N 0.790 119.315 118.700 -0.291 0.000 2.272 67 N HA 0.008 4.747 4.740 -0.001 0.000 0.185 67 N C 2.322 177.520 175.510 -0.520 0.000 1.014 67 N CA 1.890 54.742 53.050 -0.330 0.000 0.870 67 N CB -0.583 37.895 38.487 -0.015 0.000 0.975 67 N HN 0.929 nan 8.380 nan 0.000 0.433 68 A N -0.458 121.989 122.820 -0.622 0.000 2.235 68 A HA -0.048 4.271 4.320 -0.001 0.000 0.208 68 A C 0.514 177.685 177.584 -0.690 0.000 1.172 68 A CA -0.287 51.176 52.037 -0.957 0.000 0.786 68 A CB -0.670 18.021 19.000 -0.514 0.000 0.804 68 A HN 0.346 nan 8.150 nan 0.000 0.479 69 Y N 2.456 122.453 120.300 -0.505 0.000 2.702 69 Y HA 0.271 4.821 4.550 -0.001 0.000 0.336 69 Y C -0.089 175.611 175.900 -0.334 0.000 1.235 69 Y CA -0.116 57.740 58.100 -0.407 0.000 1.492 69 Y CB 0.363 38.536 38.460 -0.478 0.000 1.308 69 Y HN 0.518 nan 8.280 nan 0.000 0.589 70 D N 4.022 123.834 120.400 -0.980 0.000 2.552 70 D HA 0.605 5.244 4.640 -0.001 0.000 0.239 70 D C -1.024 174.658 176.300 -1.029 0.000 1.139 70 D CA -0.456 53.081 54.000 -0.772 0.000 0.914 70 D CB 1.107 41.786 40.800 -0.201 0.000 1.461 70 D HN 0.805 nan 8.370 nan 0.000 0.462 71 C N -2.575 116.301 119.300 -0.708 0.000 3.211 71 C HA 0.661 5.120 4.460 -0.001 0.000 0.350 71 C C -1.630 173.077 174.990 -0.472 0.000 1.413 71 C CA -1.168 57.543 59.018 -0.511 0.000 1.203 71 C CB -0.179 27.321 27.740 -0.400 0.000 1.506 71 C HN 0.628 nan 8.230 nan 0.000 0.448 72 Y N 2.125 122.298 120.300 -0.212 0.000 2.323 72 Y HA 0.502 5.052 4.550 -0.001 0.000 0.331 72 Y C 0.916 176.715 175.900 -0.169 0.000 1.092 72 Y CA 0.502 58.497 58.100 -0.175 0.000 1.150 72 Y CB 0.945 39.340 38.460 -0.108 0.000 1.200 72 Y HN 0.856 nan 8.280 nan 0.000 0.472 73 D N -0.229 120.139 120.400 -0.054 0.000 2.469 73 D HA 0.040 4.679 4.640 -0.001 0.000 0.278 73 D C 0.295 176.584 176.300 -0.020 0.000 1.231 73 D CA -0.319 53.633 54.000 -0.080 0.000 1.075 73 D CB 0.394 41.109 40.800 -0.141 0.000 1.121 73 D HN 0.390 nan 8.370 nan 0.000 0.571 74 D N -0.998 119.385 120.400 -0.029 0.000 2.218 74 D HA -0.064 4.575 4.640 -0.001 0.000 0.204 74 D C 1.616 177.924 176.300 0.014 0.000 0.976 74 D CA 1.583 55.580 54.000 -0.006 0.000 0.853 74 D CB -0.368 40.427 40.800 -0.009 0.000 0.939 74 D HN 0.506 nan 8.370 nan 0.000 0.481 75 A N -0.662 122.157 122.820 -0.001 0.000 2.178 75 A HA 0.441 4.760 4.320 -0.001 0.000 0.211 75 A C 1.826 179.462 177.584 0.087 0.000 1.157 75 A CA 1.067 53.117 52.037 0.021 0.000 0.780 75 A CB 0.084 19.047 19.000 -0.062 0.000 0.828 75 A HN 0.239 nan 8.150 nan 0.000 0.476 76 G N -1.574 107.271 108.800 0.076 0.000 2.176 76 G HA2 -0.187 3.772 3.960 -0.001 0.000 0.232 76 G HA3 -0.187 3.772 3.960 -0.001 0.000 0.232 76 G C 0.146 175.180 174.900 0.224 0.000 0.986 76 G CA 0.040 45.249 45.100 0.181 0.000 0.643 76 G HN 0.788 nan 8.290 nan 0.000 0.522 77 V N 1.649 121.521 119.914 -0.070 0.000 2.530 77 V HA 0.550 4.669 4.120 -0.001 0.000 0.282 77 V C 0.895 176.854 176.094 -0.225 0.000 1.048 77 V CA -0.594 61.597 62.300 -0.182 0.000 0.997 77 V CB 1.574 33.226 31.823 -0.285 0.000 0.987 77 V HN 0.433 nan 8.190 nan 0.000 0.477 78 L N 7.616 128.605 121.223 -0.391 0.000 2.361 78 L HA 0.540 4.880 4.340 -0.001 0.000 0.278 78 L C -0.255 176.236 176.870 -0.632 0.000 1.113 78 L CA 0.569 54.974 54.840 -0.725 0.000 0.849 78 L CB 0.140 41.767 42.059 -0.720 0.000 1.155 78 L HN 0.678 nan 8.230 nan 0.000 0.452 79 I N 0.786 120.873 120.570 -0.806 0.000 3.074 79 I HA 0.505 4.674 4.170 -0.001 0.000 0.310 79 I C -1.159 174.282 176.117 -1.126 0.000 1.153 79 I CA -0.811 59.629 61.300 -1.433 0.000 0.993 79 I CB 2.203 39.515 38.000 -1.147 0.000 1.237 79 I HN 0.607 nan 8.210 nan 0.000 0.443 80 H N 3.250 121.468 119.070 -1.421 0.000 2.661 80 H HA 0.307 4.863 4.556 -0.001 0.000 0.290 80 H C -2.102 173.004 175.328 -0.369 0.000 1.082 80 H CA -1.912 53.806 56.048 -0.549 0.000 1.234 80 H CB 0.960 30.690 29.762 -0.054 0.000 1.387 80 H HN 0.450 nan 8.280 nan 0.000 0.476 81 P HA -0.220 nan 4.420 nan 0.000 0.217 81 P C -0.150 176.737 177.300 -0.689 0.000 1.148 81 P CA 1.473 64.257 63.100 -0.527 0.000 0.834 81 P CB 0.076 31.342 31.700 -0.723 0.000 0.783 82 Y N -0.796 119.276 120.300 -0.380 0.000 2.867 82 Y HA 0.513 5.063 4.550 -0.001 0.000 0.351 82 Y C 1.420 176.944 175.900 -0.626 0.000 1.046 82 Y CA -0.274 57.357 58.100 -0.783 0.000 1.520 82 Y CB -0.333 37.993 38.460 -0.224 0.000 1.337 82 Y HN -0.061 nan 8.280 nan 0.000 0.525 83 G N 1.023 109.549 108.800 -0.457 0.000 2.781 83 G HA2 -0.193 3.766 3.960 -0.001 0.000 0.683 83 G HA3 -0.193 3.766 3.960 -0.001 0.000 0.683 83 G C -3.071 172.034 174.900 0.342 0.000 1.390 83 G CA -1.599 43.590 45.100 0.148 0.000 0.850 83 G HN 0.093 nan 8.290 nan 0.000 0.557 84 P HA 0.278 nan 4.420 nan 0.000 0.265 84 P C -0.431 176.970 177.300 0.168 0.000 1.222 84 P CA 0.450 63.752 63.100 0.336 0.000 0.767 84 P CB 0.133 31.892 31.700 0.099 0.000 0.801 85 H N 3.200 122.502 119.070 0.385 0.000 2.638 85 H HA 0.433 4.988 4.556 -0.001 0.000 0.303 85 H C -0.226 175.301 175.328 0.331 0.000 1.034 85 H CA -0.365 55.766 56.048 0.140 0.000 1.225 85 H CB 0.146 29.728 29.762 -0.300 0.000 1.394 85 H HN 0.250 nan 8.280 nan 0.000 0.477 86 I N 3.479 124.292 120.570 0.405 0.000 2.362 86 I HA 0.138 4.308 4.170 -0.001 0.000 0.289 86 I C -0.435 175.995 176.117 0.521 0.000 0.994 86 I CA -0.587 60.996 61.300 0.471 0.000 1.158 86 I CB 0.648 38.846 38.000 0.331 0.000 1.315 86 I HN 0.388 nan 8.210 nan 0.000 0.451 87 F N 7.303 127.511 119.950 0.431 0.000 2.396 87 F HA 0.493 5.020 4.527 -0.001 0.000 0.343 87 F C 0.051 175.971 175.800 0.200 0.000 1.104 87 F CA 0.131 58.314 58.000 0.305 0.000 1.161 87 F CB 0.276 39.480 39.000 0.340 0.000 1.146 87 F HN 0.603 nan 8.300 nan 0.000 0.522 88 H N 2.697 121.225 119.070 -0.904 0.000 3.137 88 H HA 0.423 4.978 4.556 -0.001 0.000 0.336 88 H C -1.803 173.040 175.328 -0.808 0.000 1.055 88 H CA -0.802 54.800 56.048 -0.743 0.000 1.349 88 H CB 1.255 30.566 29.762 -0.751 0.000 1.939 88 H HN 0.638 nan 8.280 nan 0.000 0.487 89 T N 2.011 116.191 114.554 -0.622 0.000 2.885 89 T HA 0.236 4.585 4.350 -0.001 0.000 0.322 89 T C -0.158 174.450 174.700 -0.154 0.000 1.387 89 T CA -0.504 61.331 62.100 -0.442 0.000 1.041 89 T CB 1.623 70.245 68.868 -0.409 0.000 1.287 89 T HN 0.667 nan 8.240 nan 0.000 0.491 90 N N 0.907 119.545 118.700 -0.104 0.000 2.333 90 N HA 0.061 4.800 4.740 -0.001 0.000 0.183 90 N C 0.806 176.351 175.510 0.059 0.000 1.030 90 N CA 0.359 53.385 53.050 -0.039 0.000 0.867 90 N CB -0.487 37.963 38.487 -0.061 0.000 1.027 90 N HN 0.582 nan 8.380 nan 0.000 0.435 91 S N 1.703 117.415 115.700 0.020 0.000 3.361 91 S HA -0.110 4.359 4.470 -0.001 0.000 0.396 91 S C 1.218 175.890 174.600 0.120 0.000 1.165 91 S CA 0.071 58.300 58.200 0.048 0.000 1.192 91 S CB 0.056 63.260 63.200 0.008 0.000 0.843 91 S HN 0.192 nan 8.310 nan 0.000 0.528 92 K N 3.509 123.993 120.400 0.139 0.000 2.362 92 K HA -0.090 4.230 4.320 -0.001 0.000 0.200 92 K C 0.955 177.626 176.600 0.118 0.000 1.046 92 K CA 1.620 57.996 56.287 0.148 0.000 0.952 92 K CB 0.022 32.622 32.500 0.167 0.000 0.753 92 K HN 0.676 nan 8.250 nan 0.000 0.466 93 D N -0.141 120.315 120.400 0.094 0.000 2.088 93 D HA -0.187 4.452 4.640 -0.001 0.000 0.196 93 D C 1.771 178.149 176.300 0.130 0.000 0.983 93 D CA 1.549 55.598 54.000 0.081 0.000 0.846 93 D CB -0.470 40.347 40.800 0.028 0.000 0.992 93 D HN -0.112 nan 8.370 nan 0.000 0.448 94 V N 0.436 120.423 119.914 0.122 0.000 2.370 94 V HA -0.289 3.830 4.120 -0.001 0.000 0.252 94 V C 2.064 178.352 176.094 0.324 0.000 1.068 94 V CA 1.678 64.098 62.300 0.200 0.000 1.061 94 V CB -0.620 31.303 31.823 0.167 0.000 0.656 94 V HN 0.197 nan 8.190 nan 0.000 0.455 95 F N 0.815 120.837 119.950 0.120 0.000 2.113 95 F HA -0.134 4.392 4.527 -0.001 0.000 0.297 95 F C 2.456 178.324 175.800 0.113 0.000 1.103 95 F CA 2.023 60.065 58.000 0.069 0.000 1.248 95 F CB -0.058 38.738 39.000 -0.340 0.000 0.999 95 F HN 0.185 nan 8.300 nan 0.000 0.475 96 E N -0.889 119.332 120.200 0.034 0.000 2.076 96 E HA -0.226 4.123 4.350 -0.001 0.000 0.190 96 E C 1.993 178.551 176.600 -0.070 0.000 0.979 96 E CA 1.164 57.530 56.400 -0.055 0.000 0.807 96 E CB -0.712 29.012 29.700 0.039 0.000 0.761 96 E HN 0.588 nan 8.360 nan 0.000 0.454 97 Y N 1.875 122.127 120.300 -0.080 0.000 2.069 97 Y HA -0.304 4.246 4.550 -0.001 0.000 0.278 97 Y C 2.060 177.866 175.900 -0.156 0.000 1.175 97 Y CA 1.488 59.532 58.100 -0.094 0.000 1.134 97 Y CB -0.284 38.196 38.460 0.032 0.000 0.965 97 Y HN -0.027 nan 8.280 nan 0.000 0.498 98 L N -0.248 120.988 121.223 0.022 0.000 2.141 98 L HA -0.156 4.184 4.340 -0.001 0.000 0.209 98 L C 2.752 179.445 176.870 -0.295 0.000 1.094 98 L CA 2.062 56.877 54.840 -0.043 0.000 0.763 98 L CB -1.440 40.667 42.059 0.080 0.000 0.908 98 L HN 0.369 nan 8.230 nan 0.000 0.437 99 S N -1.224 114.297 115.700 -0.299 0.000 2.555 99 S HA -0.133 4.337 4.470 -0.001 0.000 0.230 99 S C 2.156 176.450 174.600 -0.510 0.000 0.978 99 S CA 0.513 58.441 58.200 -0.452 0.000 0.934 99 S CB -0.143 62.947 63.200 -0.185 0.000 0.766 99 S HN 0.334 nan 8.310 nan 0.000 0.533 100 R N -0.454 119.640 120.500 -0.676 0.000 2.092 100 R HA 0.045 4.384 4.340 -0.001 0.000 0.231 100 R C 0.972 176.779 176.300 -0.821 0.000 1.119 100 R CA 1.783 57.366 56.100 -0.861 0.000 0.970 100 R CB -0.166 29.328 30.300 -1.342 0.000 0.864 100 R HN 0.555 nan 8.270 nan 0.000 0.440 101 F N -1.715 118.004 119.950 -0.384 0.000 2.695 101 F HA 0.274 4.800 4.527 -0.001 0.000 0.303 101 F C 0.607 176.175 175.800 -0.387 0.000 1.091 101 F CA -0.257 57.529 58.000 -0.357 0.000 1.300 101 F CB 0.909 39.679 39.000 -0.384 0.000 1.071 101 F HN -0.121 nan 8.300 nan 0.000 0.578 102 T N -0.440 113.870 114.554 -0.407 0.000 2.786 102 T HA 0.276 4.625 4.350 -0.001 0.000 0.316 102 T C -1.776 172.482 174.700 -0.736 0.000 1.503 102 T CA -0.586 61.193 62.100 -0.534 0.000 1.019 102 T CB 1.772 70.239 68.868 -0.668 0.000 1.415 102 T HN 0.034 nan 8.240 nan 0.000 0.496 103 E N 1.506 121.337 120.200 -0.614 0.000 2.165 103 E HA 0.334 4.684 4.350 -0.001 0.000 0.266 103 E C -0.656 175.647 176.600 -0.496 0.000 0.889 103 E CA -0.682 55.393 56.400 -0.542 0.000 0.756 103 E CB 1.081 30.633 29.700 -0.247 0.000 1.131 103 E HN 0.514 nan 8.360 nan 0.000 0.411 104 W N 2.336 123.595 121.300 -0.068 0.000 2.073 104 W HA 0.113 4.772 4.660 -0.001 0.000 0.358 104 W C 1.069 177.604 176.519 0.026 0.000 1.321 104 W CA -0.151 57.198 57.345 0.007 0.000 1.317 104 W CB 0.450 29.984 29.460 0.124 0.000 1.226 104 W HN 0.169 nan 8.180 nan 0.000 0.622 105 R N 1.853 122.615 120.500 0.438 0.000 3.107 105 R HA 0.235 4.574 4.340 -0.001 0.000 0.251 105 R C -3.014 173.465 176.300 0.300 0.000 1.818 105 R CA -2.012 54.242 56.100 0.257 0.000 1.228 105 R CB 0.317 30.699 30.300 0.137 0.000 1.459 105 R HN 0.070 nan 8.270 nan 0.000 0.520 106 P HA -0.012 nan 4.420 nan 0.000 0.260 106 P C -1.416 176.083 177.300 0.331 0.000 1.172 106 P CA 0.507 63.764 63.100 0.262 0.000 0.760 106 P CB -0.056 31.756 31.700 0.188 0.000 0.773 107 Y N 1.962 122.363 120.300 0.167 0.000 2.436 107 Y HA 0.310 4.859 4.550 -0.001 0.000 0.327 107 Y C -1.333 174.681 175.900 0.190 0.000 1.138 107 Y CA -0.604 57.606 58.100 0.182 0.000 1.042 107 Y CB 1.821 40.415 38.460 0.223 0.000 1.302 107 Y HN 0.284 nan 8.280 nan 0.000 0.439 108 Q N 4.966 124.484 119.800 -0.470 0.000 2.401 108 Q HA 0.208 4.547 4.340 -0.001 0.000 0.260 108 Q C -1.322 174.325 176.000 -0.588 0.000 1.034 108 Q CA -0.927 54.661 55.803 -0.359 0.000 0.737 108 Q CB 0.961 29.612 28.738 -0.145 0.000 1.227 108 Q HN 0.671 nan 8.270 nan 0.000 0.488 109 H N 2.634 121.356 119.070 -0.580 0.000 3.034 109 H HA 0.095 4.650 4.556 -0.001 0.000 0.324 109 H C -0.649 174.561 175.328 -0.196 0.000 1.015 109 H CA 0.947 56.802 56.048 -0.322 0.000 1.429 109 H CB 0.417 30.272 29.762 0.156 0.000 1.429 109 H HN 0.415 nan 8.280 nan 0.000 0.585 110 R N 3.303 123.457 120.500 -0.576 0.000 2.621 110 R HA 0.552 4.892 4.340 -0.001 0.000 0.292 110 R C -1.363 174.562 176.300 -0.626 0.000 0.969 110 R CA -1.113 54.707 56.100 -0.466 0.000 0.887 110 R CB 2.181 32.324 30.300 -0.263 0.000 1.180 110 R HN 0.322 nan 8.270 nan 0.000 0.450 111 V N 4.342 123.981 119.914 -0.457 0.000 2.531 111 V HA 0.385 4.504 4.120 -0.001 0.000 0.301 111 V C -0.741 175.209 176.094 -0.240 0.000 1.034 111 V CA -0.943 61.102 62.300 -0.425 0.000 0.865 111 V CB 1.874 33.359 31.823 -0.564 0.000 0.995 111 V HN 0.468 nan 8.190 nan 0.000 0.424 112 L N 3.603 124.693 121.223 -0.221 0.000 2.334 112 L HA 0.824 5.163 4.340 -0.001 0.000 0.275 112 L C 0.401 177.173 176.870 -0.164 0.000 1.036 112 L CA -0.290 54.452 54.840 -0.163 0.000 0.807 112 L CB 1.572 43.536 42.059 -0.158 0.000 1.231 112 L HN 0.805 nan 8.230 nan 0.000 0.438 113 A N 1.581 124.339 122.820 -0.104 0.000 2.318 113 A HA 0.497 4.816 4.320 -0.001 0.000 0.324 113 A C 0.058 177.531 177.584 -0.185 0.000 1.170 113 A CA -0.403 51.562 52.037 -0.120 0.000 0.810 113 A CB 0.976 20.000 19.000 0.039 0.000 1.198 113 A HN 0.627 nan 8.150 nan 0.000 0.484 114 S N 2.017 117.517 115.700 -0.334 0.000 2.498 114 S HA 0.431 4.901 4.470 -0.001 0.000 0.314 114 S C -0.465 173.997 174.600 -0.230 0.000 1.141 114 S CA -0.144 57.876 58.200 -0.300 0.000 1.087 114 S CB -0.884 62.039 63.200 -0.461 0.000 1.178 114 S HN 0.640 nan 8.310 nan 0.000 0.533 115 V N 4.909 124.689 119.914 -0.224 0.000 2.638 115 V HA 0.349 4.468 4.120 -0.001 0.000 0.306 115 V C -0.433 175.543 176.094 -0.196 0.000 1.052 115 V CA -0.957 61.164 62.300 -0.298 0.000 0.885 115 V CB 1.785 33.255 31.823 -0.589 0.000 0.999 115 V HN 0.801 nan 8.190 nan 0.000 0.424 116 D N 3.814 124.117 120.400 -0.161 0.000 2.697 116 D HA -0.165 4.475 4.640 -0.001 0.000 0.235 116 D C 1.336 177.593 176.300 -0.071 0.000 1.167 116 D CA 1.869 55.807 54.000 -0.102 0.000 0.656 116 D CB -1.030 39.711 40.800 -0.099 0.000 1.025 116 D HN 1.510 nan 8.370 nan 0.000 0.419 117 G N -0.451 108.314 108.800 -0.059 0.000 2.187 117 G HA2 -0.357 3.602 3.960 -0.001 0.000 0.261 117 G HA3 -0.357 3.602 3.960 -0.001 0.000 0.261 117 G C 0.218 175.096 174.900 -0.037 0.000 1.000 117 G CA 1.019 46.100 45.100 -0.032 0.000 0.718 117 G HN 0.580 nan 8.290 nan 0.000 0.519 118 Q N -1.393 118.370 119.800 -0.061 0.000 2.458 118 Q HA 0.744 5.083 4.340 -0.001 0.000 0.282 118 Q C -0.337 175.617 176.000 -0.077 0.000 1.106 118 Q CA -1.050 54.718 55.803 -0.058 0.000 0.814 118 Q CB 1.938 30.643 28.738 -0.055 0.000 1.425 118 Q HN 0.203 nan 8.270 nan 0.000 0.437 119 L N 2.437 123.618 121.223 -0.069 0.000 2.277 119 L HA 0.372 4.711 4.340 -0.001 0.000 0.284 119 L C -1.253 175.580 176.870 -0.061 0.000 1.028 119 L CA -0.585 54.203 54.840 -0.086 0.000 0.835 119 L CB 0.462 42.465 42.059 -0.093 0.000 1.215 119 L HN 0.263 nan 8.230 nan 0.000 0.425 120 L N 5.465 126.669 121.223 -0.032 0.000 2.330 120 L HA 0.634 4.974 4.340 -0.001 0.000 0.271 120 L C -2.202 174.655 176.870 -0.021 0.000 1.013 120 L CA -2.462 52.379 54.840 0.003 0.000 0.816 120 L CB 1.118 43.242 42.059 0.108 0.000 1.287 120 L HN 0.224 nan 8.230 nan 0.000 0.435 121 P HA 0.271 nan 4.420 nan 0.000 0.267 121 P C -0.950 176.272 177.300 -0.129 0.000 1.205 121 P CA 0.055 63.097 63.100 -0.097 0.000 0.765 121 P CB 0.657 32.295 31.700 -0.103 0.000 0.828 122 I N 5.132 125.634 120.570 -0.114 0.000 2.499 122 I HA 0.474 4.644 4.170 -0.001 0.000 0.288 122 I C -2.752 173.326 176.117 -0.065 0.000 1.048 122 I CA -3.303 57.916 61.300 -0.135 0.000 1.062 122 I CB 2.150 40.090 38.000 -0.100 0.000 1.238 122 I HN 0.171 nan 8.210 nan 0.000 0.426 123 P HA 0.253 nan 4.420 nan 0.000 0.272 123 P C -0.461 176.712 177.300 -0.211 0.000 1.223 123 P CA -0.043 62.928 63.100 -0.214 0.000 0.784 123 P CB 0.456 32.014 31.700 -0.236 0.000 0.923 124 I N 2.879 123.296 120.570 -0.255 0.000 2.752 124 I HA -0.063 4.107 4.170 -0.001 0.000 0.289 124 I C 1.182 177.236 176.117 -0.104 0.000 1.197 124 I CA 1.162 62.304 61.300 -0.263 0.000 1.432 124 I CB -0.269 37.575 38.000 -0.261 0.000 1.359 124 I HN 0.534 nan 8.210 nan 0.000 0.571 125 N N 5.460 124.122 118.700 -0.063 0.000 3.387 125 N HA 0.274 5.013 4.740 -0.001 0.000 0.322 125 N C 0.379 175.894 175.510 0.009 0.000 1.588 125 N CA -0.863 52.187 53.050 0.000 0.000 0.778 125 N CB 0.331 38.786 38.487 -0.054 0.000 1.883 125 N HN 0.393 nan 8.380 nan 0.000 0.628 126 L N -0.030 121.175 121.223 -0.029 0.000 1.971 126 L HA -0.201 4.138 4.340 -0.001 0.000 0.215 126 L C 0.827 177.641 176.870 -0.094 0.000 1.072 126 L CA 2.292 57.081 54.840 -0.084 0.000 0.758 126 L CB -0.476 41.519 42.059 -0.107 0.000 0.889 126 L HN 0.510 nan 8.230 nan 0.000 0.433 127 D N -0.921 119.429 120.400 -0.083 0.000 2.144 127 D HA -0.159 4.480 4.640 -0.001 0.000 0.199 127 D C 2.014 178.266 176.300 -0.080 0.000 0.984 127 D CA 1.709 55.660 54.000 -0.081 0.000 0.834 127 D CB -0.232 40.524 40.800 -0.074 0.000 0.955 127 D HN 0.406 nan 8.370 nan 0.000 0.465 128 T N 0.894 115.400 114.554 -0.081 0.000 2.652 128 T HA -0.110 4.240 4.350 -0.001 0.000 0.267 128 T C 2.338 176.988 174.700 -0.084 0.000 1.039 128 T CA 1.040 63.090 62.100 -0.084 0.000 1.153 128 T CB -0.452 68.328 68.868 -0.147 0.000 0.863 128 T HN -0.019 nan 8.240 nan 0.000 0.428 129 V N 2.488 122.356 119.914 -0.076 0.000 2.255 129 V HA -0.200 3.920 4.120 -0.001 0.000 0.247 129 V C 2.485 178.503 176.094 -0.127 0.000 1.051 129 V CA 1.714 63.958 62.300 -0.093 0.000 1.018 129 V CB -0.726 30.993 31.823 -0.174 0.000 0.641 129 V HN 0.408 nan 8.190 nan 0.000 0.445 130 N N 0.109 118.728 118.700 -0.135 0.000 2.120 130 N HA -0.135 4.604 4.740 -0.001 0.000 0.188 130 N C 1.970 177.435 175.510 -0.074 0.000 1.024 130 N CA 1.410 54.394 53.050 -0.109 0.000 0.852 130 N CB -0.350 38.074 38.487 -0.105 0.000 1.003 130 N HN 0.476 nan 8.380 nan 0.000 0.424 131 R N 0.010 120.463 120.500 -0.079 0.000 2.073 131 R HA -0.011 4.328 4.340 -0.001 0.000 0.229 131 R C 2.086 178.338 176.300 -0.081 0.000 1.120 131 R CA 0.602 56.662 56.100 -0.065 0.000 0.967 131 R CB -0.521 29.744 30.300 -0.058 0.000 0.862 131 R HN 0.147 nan 8.270 nan 0.000 0.436 132 L N -0.202 120.936 121.223 -0.142 0.000 2.017 132 L HA -0.170 4.170 4.340 -0.001 0.000 0.208 132 L C 1.411 178.137 176.870 -0.240 0.000 1.073 132 L CA 1.820 56.511 54.840 -0.248 0.000 0.745 132 L CB -0.228 41.578 42.059 -0.421 0.000 0.894 132 L HN 0.098 nan 8.230 nan 0.000 0.432 133 Y N -0.166 120.133 120.300 -0.002 0.000 2.462 133 Y HA 0.430 4.980 4.550 -0.001 0.000 0.261 133 Y C 1.743 177.625 175.900 -0.029 0.000 1.146 133 Y CA -0.147 57.949 58.100 -0.007 0.000 1.283 133 Y CB -0.272 38.177 38.460 -0.019 0.000 1.090 133 Y HN 0.242 nan 8.280 nan 0.000 0.526 134 G N 0.851 109.692 108.800 0.068 0.000 2.182 134 G HA2 -0.268 3.692 3.960 -0.001 0.000 0.248 134 G HA3 -0.268 3.692 3.960 -0.001 0.000 0.248 134 G C -0.029 174.876 174.900 0.008 0.000 1.042 134 G CA 0.121 45.237 45.100 0.027 0.000 0.775 134 G HN 0.265 nan 8.290 nan 0.000 0.501 135 L N -0.781 120.433 121.223 -0.014 0.000 2.488 135 L HA 0.534 4.873 4.340 -0.001 0.000 0.249 135 L C 1.161 177.987 176.870 -0.072 0.000 1.151 135 L CA -0.895 53.907 54.840 -0.063 0.000 0.806 135 L CB 0.620 42.589 42.059 -0.151 0.000 1.261 135 L HN 0.087 nan 8.230 nan 0.000 0.484 136 N N 0.598 119.251 118.700 -0.079 0.000 2.466 136 N HA 0.275 5.014 4.740 -0.001 0.000 0.272 136 N C -0.621 174.844 175.510 -0.076 0.000 1.455 136 N CA -0.118 52.892 53.050 -0.067 0.000 0.875 136 N CB 0.617 39.080 38.487 -0.041 0.000 1.372 136 N HN 0.371 nan 8.380 nan 0.000 0.492 137 L N 1.183 122.336 121.223 -0.117 0.000 2.503 137 L HA 0.024 4.363 4.340 -0.001 0.000 0.287 137 L C 1.520 178.334 176.870 -0.094 0.000 1.252 137 L CA 0.491 55.261 54.840 -0.117 0.000 0.835 137 L CB 0.062 42.001 42.059 -0.200 0.000 1.099 137 L HN 0.149 nan 8.230 nan 0.000 0.516 138 T N -2.155 112.363 114.554 -0.061 0.000 2.912 138 T HA 0.199 4.548 4.350 -0.001 0.000 0.280 138 T C 1.069 175.666 174.700 -0.171 0.000 0.989 138 T CA -0.535 61.519 62.100 -0.076 0.000 0.995 138 T CB 1.579 70.479 68.868 0.053 0.000 1.077 138 T HN 0.502 nan 8.240 nan 0.000 0.531 139 S N 0.091 115.584 115.700 -0.345 0.000 2.374 139 S HA -0.075 4.395 4.470 -0.001 0.000 0.227 139 S C 1.532 175.913 174.600 -0.364 0.000 1.037 139 S CA 1.577 59.517 58.200 -0.432 0.000 1.024 139 S CB -0.812 62.005 63.200 -0.637 0.000 0.861 139 S HN 0.669 nan 8.310 nan 0.000 0.456 140 F N 1.513 121.450 119.950 -0.021 0.000 2.186 140 F HA -0.061 4.465 4.527 -0.001 0.000 0.299 140 F C 2.592 178.383 175.800 -0.016 0.000 1.090 140 F CA 0.760 58.753 58.000 -0.012 0.000 1.307 140 F CB -0.813 38.180 39.000 -0.011 0.000 1.019 140 F HN 0.209 nan 8.300 nan 0.000 0.489 141 Q N -0.224 119.648 119.800 0.119 0.000 2.137 141 Q HA -0.085 4.254 4.340 -0.001 0.000 0.198 141 Q C 2.444 178.438 176.000 -0.010 0.000 0.960 141 Q CA 1.008 56.845 55.803 0.056 0.000 0.847 141 Q CB -0.476 28.281 28.738 0.031 0.000 0.915 141 Q HN 0.314 nan 8.270 nan 0.000 0.448 142 V N 1.230 121.083 119.914 -0.102 0.000 2.720 142 V HA -0.268 3.851 4.120 -0.001 0.000 0.256 142 V C 1.967 177.912 176.094 -0.248 0.000 1.082 142 V CA 1.869 64.012 62.300 -0.262 0.000 1.101 142 V CB -0.157 31.463 31.823 -0.338 0.000 0.693 142 V HN 0.378 nan 8.190 nan 0.000 0.479 143 E N -0.522 119.664 120.200 -0.025 0.000 2.152 143 E HA -0.194 4.156 4.350 -0.001 0.000 0.192 143 E C 2.079 178.748 176.600 0.115 0.000 0.983 143 E CA 1.223 57.692 56.400 0.115 0.000 0.818 143 E CB 0.034 29.806 29.700 0.121 0.000 0.758 143 E HN 0.761 nan 8.360 nan 0.000 0.467 144 E N -0.336 119.909 120.200 0.075 0.000 2.170 144 E HA -0.121 4.229 4.350 -0.001 0.000 0.191 144 E C 1.729 178.367 176.600 0.064 0.000 0.981 144 E CA 0.412 56.853 56.400 0.069 0.000 0.830 144 E CB -0.127 29.609 29.700 0.060 0.000 0.775 144 E HN 0.253 nan 8.360 nan 0.000 0.470 145 F N 1.263 121.147 119.950 -0.111 0.000 2.102 145 F HA -0.234 4.292 4.527 -0.001 0.000 0.298 145 F C 1.779 177.550 175.800 -0.048 0.000 1.105 145 F CA 1.362 59.278 58.000 -0.140 0.000 1.239 145 F CB -0.163 38.674 39.000 -0.271 0.000 0.991 145 F HN -0.122 nan 8.300 nan 0.000 0.474 146 F N 0.970 120.965 119.950 0.075 0.000 2.095 146 F HA -0.159 4.367 4.527 -0.001 0.000 0.298 146 F C 2.691 178.421 175.800 -0.118 0.000 1.104 146 F CA 1.119 59.096 58.000 -0.038 0.000 1.232 146 F CB -1.752 37.285 39.000 0.062 0.000 0.987 146 F HN 0.092 nan 8.300 nan 0.000 0.475 147 A N -0.333 122.560 122.820 0.122 0.000 2.019 147 A HA -0.167 4.152 4.320 -0.001 0.000 0.219 147 A C 2.269 179.832 177.584 -0.034 0.000 1.164 147 A CA 1.892 53.952 52.037 0.038 0.000 0.644 147 A CB -1.057 17.968 19.000 0.042 0.000 0.805 147 A HN 0.417 nan 8.150 nan 0.000 0.449 148 S N -0.719 114.923 115.700 -0.097 0.000 2.527 148 S HA 0.054 4.524 4.470 -0.001 0.000 0.222 148 S C 1.352 175.843 174.600 -0.182 0.000 0.985 148 S CA 0.944 59.063 58.200 -0.134 0.000 0.921 148 S CB -0.290 62.822 63.200 -0.147 0.000 0.772 148 S HN 0.998 nan 8.310 nan 0.000 0.529 149 V N -2.413 117.369 119.914 -0.219 0.000 3.572 149 V HA 0.629 4.749 4.120 -0.001 0.000 0.260 149 V C 0.972 177.012 176.094 -0.090 0.000 1.324 149 V CA -0.153 62.029 62.300 -0.197 0.000 1.068 149 V CB -0.833 30.795 31.823 -0.324 0.000 0.837 149 V HN 0.504 nan 8.190 nan 0.000 0.450 150 A N 1.463 124.247 122.820 -0.060 0.000 2.511 150 A HA 0.311 4.630 4.320 -0.001 0.000 0.242 150 A C 0.316 177.867 177.584 -0.055 0.000 1.069 150 A CA 0.078 52.086 52.037 -0.047 0.000 0.763 150 A CB -0.306 18.671 19.000 -0.039 0.000 1.001 150 A HN 0.669 nan 8.150 nan 0.000 0.498 151 E N 1.463 121.624 120.200 -0.064 0.000 2.301 151 E HA 0.181 4.530 4.350 -0.001 0.000 0.275 151 E C -0.306 176.254 176.600 -0.066 0.000 1.030 151 E CA -0.528 55.834 56.400 -0.063 0.000 0.852 151 E CB 1.134 30.791 29.700 -0.072 0.000 1.060 151 E HN 0.553 nan 8.360 nan 0.000 0.401 152 K N 2.011 122.378 120.400 -0.055 0.000 2.322 152 K HA 0.247 4.566 4.320 -0.001 0.000 0.283 152 K C -1.092 175.474 176.600 -0.056 0.000 1.042 152 K CA -0.254 56.002 56.287 -0.051 0.000 0.958 152 K CB 0.770 33.246 32.500 -0.040 0.000 0.984 152 K HN 0.213 nan 8.250 nan 0.000 0.473 153 V N 3.721 123.600 119.914 -0.059 0.000 2.588 153 V HA 0.071 4.190 4.120 -0.001 0.000 0.304 153 V C 0.759 176.823 176.094 -0.050 0.000 1.042 153 V CA -0.663 61.600 62.300 -0.061 0.000 0.877 153 V CB 1.607 33.383 31.823 -0.079 0.000 0.996 153 V HN 0.860 nan 8.190 nan 0.000 0.425 154 E N 2.789 122.962 120.200 -0.044 0.000 2.001 154 E HA -0.086 4.263 4.350 -0.001 0.000 0.193 154 E C 0.563 177.141 176.600 -0.038 0.000 0.994 154 E CA 1.486 57.864 56.400 -0.036 0.000 0.815 154 E CB 0.148 29.830 29.700 -0.031 0.000 0.770 154 E HN 0.710 nan 8.360 nan 0.000 0.453 155 Q N -0.461 119.316 119.800 -0.039 0.000 2.333 155 Q HA 0.365 4.704 4.340 -0.001 0.000 0.265 155 Q C -1.496 174.474 176.000 -0.051 0.000 0.989 155 Q CA -0.413 55.366 55.803 -0.040 0.000 0.842 155 Q CB 2.193 30.911 28.738 -0.033 0.000 1.262 155 Q HN 0.026 nan 8.270 nan 0.000 0.451 156 V N 5.276 125.157 119.914 -0.056 0.000 2.364 156 V HA 0.084 4.203 4.120 -0.001 0.000 0.252 156 V C 0.817 176.875 176.094 -0.060 0.000 1.075 156 V CA 0.714 62.974 62.300 -0.068 0.000 1.033 156 V CB -0.015 31.762 31.823 -0.075 0.000 1.116 156 V HN 0.746 nan 8.190 nan 0.000 0.488 157 R N 1.915 122.379 120.500 -0.059 0.000 2.276 157 R HA 0.133 4.473 4.340 -0.001 0.000 0.195 157 R C 0.942 177.209 176.300 -0.054 0.000 0.908 157 R CA 0.504 56.575 56.100 -0.049 0.000 1.083 157 R CB 0.557 30.834 30.300 -0.039 0.000 1.182 157 R HN 0.715 nan 8.270 nan 0.000 0.608 158 T N -2.462 112.054 114.554 -0.063 0.000 2.943 158 T HA 0.241 4.591 4.350 -0.001 0.000 0.284 158 T C 0.956 175.610 174.700 -0.077 0.000 1.015 158 T CA -0.630 61.433 62.100 -0.063 0.000 1.042 158 T CB 2.024 70.861 68.868 -0.052 0.000 1.055 158 T HN -0.201 nan 8.240 nan 0.000 0.500 159 S N -0.192 115.470 115.700 -0.064 0.000 2.440 159 S HA -0.110 4.359 4.470 -0.001 0.000 0.238 159 S C 1.780 176.348 174.600 -0.054 0.000 1.010 159 S CA 1.310 59.476 58.200 -0.056 0.000 0.972 159 S CB -0.513 62.672 63.200 -0.025 0.000 0.774 159 S HN 0.889 nan 8.310 nan 0.000 0.501 160 E N 0.814 120.976 120.200 -0.062 0.000 2.072 160 E HA -0.176 4.173 4.350 -0.001 0.000 0.191 160 E C 1.043 177.447 176.600 -0.327 0.000 0.985 160 E CA 1.333 57.605 56.400 -0.213 0.000 0.801 160 E CB -0.009 29.585 29.700 -0.175 0.000 0.750 160 E HN 0.379 nan 8.360 nan 0.000 0.452 161 D N 0.344 120.619 120.400 -0.207 0.000 2.144 161 D HA -0.141 4.498 4.640 -0.001 0.000 0.200 161 D C 2.153 178.337 176.300 -0.192 0.000 0.978 161 D CA 1.513 55.400 54.000 -0.189 0.000 0.833 161 D CB -0.192 40.531 40.800 -0.129 0.000 0.961 161 D HN 0.295 nan 8.370 nan 0.000 0.470 162 V N -0.713 119.089 119.914 -0.186 0.000 2.427 162 V HA -0.157 3.962 4.120 -0.001 0.000 0.248 162 V C 2.383 178.325 176.094 -0.254 0.000 1.051 162 V CA 1.045 63.229 62.300 -0.193 0.000 1.048 162 V CB -0.992 30.724 31.823 -0.178 0.000 0.666 162 V HN 0.017 nan 8.190 nan 0.000 0.456 163 V N -0.391 119.335 119.914 -0.313 0.000 2.379 163 V HA -0.072 4.048 4.120 -0.001 0.000 0.243 163 V C 2.625 178.568 176.094 -0.252 0.000 1.035 163 V CA 1.587 63.668 62.300 -0.366 0.000 1.035 163 V CB 0.002 31.578 31.823 -0.410 0.000 0.673 163 V HN 0.376 nan 8.190 nan 0.000 0.457 164 V N 1.378 121.100 119.914 -0.320 0.000 2.287 164 V HA -0.234 3.885 4.120 -0.001 0.000 0.248 164 V C 2.640 178.632 176.094 -0.170 0.000 1.053 164 V CA 2.505 64.640 62.300 -0.275 0.000 1.027 164 V CB -0.661 30.927 31.823 -0.392 0.000 0.646 164 V HN 0.759 nan 8.190 nan 0.000 0.447 165 S N -1.586 114.010 115.700 -0.172 0.000 2.607 165 S HA -0.047 4.423 4.470 -0.001 0.000 0.224 165 S C 1.664 176.190 174.600 -0.123 0.000 0.969 165 S CA 0.853 58.976 58.200 -0.128 0.000 0.927 165 S CB -0.106 63.023 63.200 -0.119 0.000 0.772 165 S HN 0.622 nan 8.310 nan 0.000 0.533 166 K N 0.552 120.857 120.400 -0.158 0.000 2.216 166 K HA 0.196 4.515 4.320 -0.001 0.000 0.207 166 K C 1.511 177.983 176.600 -0.213 0.000 1.041 166 K CA 1.100 57.268 56.287 -0.197 0.000 0.966 166 K CB 0.331 32.670 32.500 -0.268 0.000 0.955 166 K HN 0.364 nan 8.250 nan 0.000 0.468 167 V N -2.457 117.349 119.914 -0.180 0.000 3.346 167 V HA 0.465 4.584 4.120 -0.001 0.000 0.309 167 V C 0.225 176.381 176.094 0.105 0.000 1.457 167 V CA 0.033 62.280 62.300 -0.087 0.000 1.069 167 V CB -0.070 31.651 31.823 -0.172 0.000 0.944 167 V HN 0.402 nan 8.190 nan 0.000 0.449 168 G N 1.524 110.345 108.800 0.036 0.000 2.756 168 G HA2 -0.207 3.753 3.960 -0.001 0.000 0.678 168 G HA3 -0.207 3.753 3.960 -0.001 0.000 0.678 168 G C 0.059 175.029 174.900 0.118 0.000 1.349 168 G CA 0.274 45.404 45.100 0.049 0.000 0.847 168 G HN 0.690 nan 8.290 nan 0.000 0.548 169 R N 0.059 120.624 120.500 0.108 0.000 2.090 169 R HA 0.040 4.379 4.340 -0.001 0.000 0.228 169 R C 2.068 178.532 176.300 0.274 0.000 1.110 169 R CA 2.361 58.568 56.100 0.178 0.000 0.973 169 R CB -0.683 29.683 30.300 0.110 0.000 0.869 169 R HN 0.633 nan 8.270 nan 0.000 0.440 170 D N -0.260 120.279 120.400 0.233 0.000 2.084 170 D HA -0.108 4.531 4.640 -0.001 0.000 0.196 170 D C 1.801 178.306 176.300 0.342 0.000 0.985 170 D CA 1.335 55.494 54.000 0.264 0.000 0.826 170 D CB -0.042 40.921 40.800 0.271 0.000 0.978 170 D HN 0.270 nan 8.370 nan 0.000 0.456 171 L N -0.294 121.181 121.223 0.420 0.000 2.191 171 L HA -0.169 4.170 4.340 -0.001 0.000 0.212 171 L C 2.213 179.405 176.870 0.537 0.000 1.103 171 L CA 0.873 56.019 54.840 0.511 0.000 0.769 171 L CB -0.506 41.840 42.059 0.479 0.000 0.908 171 L HN 0.235 nan 8.230 nan 0.000 0.438 172 Y N 1.224 121.711 120.300 0.312 0.000 2.200 172 Y HA -0.213 4.336 4.550 -0.001 0.000 0.290 172 Y C 2.414 178.493 175.900 0.298 0.000 1.137 172 Y CA 1.573 59.856 58.100 0.305 0.000 1.163 172 Y CB -0.236 38.312 38.460 0.148 0.000 0.988 172 Y HN 0.193 nan 8.280 nan 0.000 0.518 173 N N 0.525 119.270 118.700 0.075 0.000 2.188 173 N HA -0.129 4.610 4.740 -0.001 0.000 0.184 173 N C 1.600 177.069 175.510 -0.067 0.000 1.018 173 N CA 1.552 54.556 53.050 -0.077 0.000 0.858 173 N CB -0.239 38.276 38.487 0.047 0.000 0.989 173 N HN 0.462 nan 8.380 nan 0.000 0.426 174 K N -0.809 119.590 120.400 -0.003 0.000 2.167 174 K HA 0.068 4.387 4.320 -0.001 0.000 0.203 174 K C 0.920 177.250 176.600 -0.451 0.000 1.052 174 K CA 0.776 56.929 56.287 -0.223 0.000 0.956 174 K CB 0.096 32.434 32.500 -0.270 0.000 0.735 174 K HN 0.152 nan 8.250 nan 0.000 0.451 175 F N -2.103 117.802 119.950 -0.075 0.000 2.740 175 F HA 0.196 4.722 4.527 -0.001 0.000 0.304 175 F C 1.300 176.841 175.800 -0.432 0.000 1.098 175 F CA -0.058 57.779 58.000 -0.272 0.000 1.258 175 F CB 0.470 39.244 39.000 -0.377 0.000 1.061 175 F HN -0.142 nan 8.300 nan 0.000 0.598 176 F N -0.816 119.171 119.950 0.062 0.000 2.549 176 F HA 0.268 4.794 4.527 -0.001 0.000 0.275 176 F C 2.343 178.082 175.800 -0.102 0.000 0.990 176 F CA 0.096 58.101 58.000 0.009 0.000 1.274 176 F CB -0.469 38.573 39.000 0.071 0.000 1.064 176 F HN -0.398 nan 8.300 nan 0.000 0.715 177 R N 0.749 121.094 120.500 -0.259 0.000 2.083 177 R HA -0.110 4.229 4.340 -0.001 0.000 0.237 177 R C 2.301 178.587 176.300 -0.024 0.000 1.137 177 R CA 1.788 57.725 56.100 -0.272 0.000 0.951 177 R CB -0.936 29.079 30.300 -0.476 0.000 0.851 177 R HN 0.401 nan 8.270 nan 0.000 0.434 178 G N -0.404 108.383 108.800 -0.023 0.000 2.453 178 G HA2 -0.344 3.615 3.960 -0.001 0.000 0.215 178 G HA3 -0.344 3.615 3.960 -0.001 0.000 0.215 178 G C 1.329 176.277 174.900 0.080 0.000 1.201 178 G CA 0.878 45.986 45.100 0.014 0.000 0.784 178 G HN 0.490 nan 8.290 nan 0.000 0.545 179 Y N 1.639 121.938 120.300 -0.001 0.000 2.151 179 Y HA -0.208 4.341 4.550 -0.001 0.000 0.284 179 Y C 3.190 179.155 175.900 0.107 0.000 1.166 179 Y CA 2.359 60.479 58.100 0.034 0.000 1.163 179 Y CB -0.185 38.282 38.460 0.013 0.000 0.974 179 Y HN 0.224 nan 8.280 nan 0.000 0.511 180 T N 0.252 115.066 114.554 0.433 0.000 2.737 180 T HA -0.143 4.206 4.350 -0.001 0.000 0.265 180 T C 1.838 176.738 174.700 0.333 0.000 1.038 180 T CA 1.497 63.886 62.100 0.482 0.000 1.144 180 T CB -0.238 68.887 68.868 0.428 0.000 0.866 180 T HN 0.310 nan 8.240 nan 0.000 0.434 181 R N 0.818 121.437 120.500 0.199 0.000 2.105 181 R HA -0.096 4.244 4.340 -0.001 0.000 0.239 181 R C 2.504 178.856 176.300 0.087 0.000 1.135 181 R CA 1.406 57.587 56.100 0.136 0.000 0.967 181 R CB -0.141 30.208 30.300 0.082 0.000 0.861 181 R HN 0.343 nan 8.270 nan 0.000 0.442 182 K N 0.346 120.761 120.400 0.023 0.000 2.098 182 K HA -0.169 4.151 4.320 -0.001 0.000 0.203 182 K C 2.171 178.698 176.600 -0.122 0.000 1.051 182 K CA 1.142 57.391 56.287 -0.064 0.000 0.957 182 K CB 0.149 32.568 32.500 -0.135 0.000 0.738 182 K HN -0.088 nan 8.250 nan 0.000 0.447 183 Q N -0.394 119.298 119.800 -0.180 0.000 2.083 183 Q HA -0.112 4.227 4.340 -0.001 0.000 0.198 183 Q C 1.028 176.780 176.000 -0.413 0.000 0.969 183 Q CA 1.893 57.468 55.803 -0.379 0.000 0.838 183 Q CB -0.165 28.294 28.738 -0.465 0.000 0.900 183 Q HN 0.454 nan 8.270 nan 0.000 0.436 184 W N -1.224 120.052 121.300 -0.039 0.000 3.013 184 W HA 0.420 5.080 4.660 -0.001 0.000 0.280 184 W C 1.130 177.653 176.519 0.006 0.000 1.249 184 W CA 0.281 57.615 57.345 -0.018 0.000 1.577 184 W CB 0.405 29.885 29.460 0.032 0.000 1.057 184 W HN 0.288 nan 8.180 nan 0.000 0.613 185 G N 0.679 109.595 108.800 0.194 0.000 2.143 185 G HA2 -0.240 3.719 3.960 -0.001 0.000 0.248 185 G HA3 -0.240 3.719 3.960 -0.001 0.000 0.248 185 G C -0.604 174.386 174.900 0.149 0.000 0.991 185 G CA -0.000 45.180 45.100 0.134 0.000 0.689 185 G HN 0.059 nan 8.290 nan 0.000 0.522 186 L N -0.131 121.209 121.223 0.194 0.000 2.388 186 L HA 0.622 4.962 4.340 -0.001 0.000 0.264 186 L C 0.039 176.994 176.870 0.140 0.000 0.998 186 L CA -1.426 53.501 54.840 0.146 0.000 0.817 186 L CB 1.746 43.882 42.059 0.128 0.000 1.338 186 L HN 0.237 nan 8.230 nan 0.000 0.414 187 D N 2.556 123.021 120.400 0.108 0.000 2.399 187 D HA 0.195 4.834 4.640 -0.001 0.000 0.241 187 D C -1.676 174.695 176.300 0.119 0.000 1.133 187 D CA -0.895 53.178 54.000 0.120 0.000 0.890 187 D CB 1.362 42.226 40.800 0.107 0.000 1.201 187 D HN 0.303 nan 8.370 nan 0.000 0.432 188 P HA -0.090 nan 4.420 nan 0.000 0.231 188 P C 0.630 177.978 177.300 0.080 0.000 1.158 188 P CA 0.768 63.958 63.100 0.150 0.000 0.763 188 P CB 0.013 31.896 31.700 0.305 0.000 0.805 189 S N -1.467 114.282 115.700 0.081 0.000 2.562 189 S HA 0.010 4.480 4.470 -0.001 0.000 0.221 189 S C 1.354 175.961 174.600 0.012 0.000 0.975 189 S CA 0.498 58.717 58.200 0.032 0.000 0.918 189 S CB -0.630 62.593 63.200 0.039 0.000 0.772 189 S HN 0.222 nan 8.310 nan 0.000 0.531 190 E N 0.314 120.523 120.200 0.015 0.000 2.501 190 E HA 0.388 4.737 4.350 -0.001 0.000 0.201 190 E C -0.346 176.233 176.600 -0.035 0.000 1.016 190 E CA -0.140 56.261 56.400 0.002 0.000 0.920 190 E CB 0.462 30.177 29.700 0.025 0.000 1.023 190 E HN 0.494 nan 8.360 nan 0.000 0.474 191 L N 0.635 121.817 121.223 -0.069 0.000 2.303 191 L HA 0.366 4.706 4.340 -0.001 0.000 0.266 191 L C 0.015 176.817 176.870 -0.112 0.000 1.011 191 L CA -1.268 53.486 54.840 -0.144 0.000 0.818 191 L CB 1.353 43.248 42.059 -0.273 0.000 1.326 191 L HN -0.115 nan 8.230 nan 0.000 0.435 192 D N 0.318 120.642 120.400 -0.126 0.000 2.390 192 D HA 0.073 4.712 4.640 -0.001 0.000 0.236 192 D C 0.677 176.926 176.300 -0.085 0.000 1.189 192 D CA 0.326 54.275 54.000 -0.086 0.000 0.887 192 D CB 1.132 41.888 40.800 -0.073 0.000 1.198 192 D HN 0.633 nan 8.370 nan 0.000 0.444 193 A N 0.839 123.618 122.820 -0.068 0.000 2.172 193 A HA -0.112 4.208 4.320 -0.001 0.000 0.216 193 A C 1.920 179.462 177.584 -0.071 0.000 1.154 193 A CA 1.449 53.442 52.037 -0.074 0.000 0.701 193 A CB -0.479 18.480 19.000 -0.069 0.000 0.789 193 A HN 0.479 nan 8.150 nan 0.000 0.465 194 S N -0.868 114.795 115.700 -0.061 0.000 2.461 194 S HA -0.037 4.432 4.470 -0.001 0.000 0.228 194 S C 1.637 176.202 174.600 -0.060 0.000 1.005 194 S CA 1.011 59.180 58.200 -0.053 0.000 0.942 194 S CB -0.533 62.649 63.200 -0.031 0.000 0.776 194 S HN 0.200 nan 8.310 nan 0.000 0.514 195 V N 3.125 123.003 119.914 -0.059 0.000 2.229 195 V HA -0.138 3.981 4.120 -0.001 0.000 0.243 195 V C 3.224 179.353 176.094 0.058 0.000 1.042 195 V CA 2.238 64.533 62.300 -0.009 0.000 1.000 195 V CB -1.480 30.255 31.823 -0.146 0.000 0.637 195 V HN 0.823 nan 8.190 nan 0.000 0.446 196 T N -1.178 113.400 114.554 0.041 0.000 2.995 196 T HA 0.017 4.367 4.350 -0.001 0.000 0.269 196 T C 1.787 176.470 174.700 -0.028 0.000 1.091 196 T CA 1.094 63.238 62.100 0.072 0.000 1.128 196 T CB -0.337 68.525 68.868 -0.010 0.000 0.891 196 T HN 0.425 nan 8.240 nan 0.000 0.492 197 A N 1.947 124.724 122.820 -0.072 0.000 2.131 197 A HA -0.031 4.289 4.320 -0.001 0.000 0.220 197 A C 2.485 180.028 177.584 -0.067 0.000 1.158 197 A CA 1.037 53.020 52.037 -0.091 0.000 0.665 197 A CB -0.704 18.245 19.000 -0.085 0.000 0.795 197 A HN 0.579 nan 8.150 nan 0.000 0.460 198 R N -0.846 119.627 120.500 -0.045 0.000 2.159 198 R HA -0.036 4.303 4.340 -0.001 0.000 0.237 198 R C -0.122 176.135 176.300 -0.071 0.000 1.131 198 R CA 0.899 56.970 56.100 -0.049 0.000 0.982 198 R CB -0.284 29.985 30.300 -0.051 0.000 0.868 198 R HN 0.318 nan 8.270 nan 0.000 0.453 199 V N 4.233 124.121 119.914 -0.044 0.000 2.334 199 V HA 0.169 4.288 4.120 -0.001 0.000 0.267 199 V C -1.812 174.227 176.094 -0.091 0.000 1.040 199 V CA -1.852 60.388 62.300 -0.101 0.000 0.866 199 V CB 1.002 32.862 31.823 0.061 0.000 1.019 199 V HN 0.090 nan 8.190 nan 0.000 0.468 200 P HA 0.136 nan 4.420 nan 0.000 0.273 200 P C -0.209 177.010 177.300 -0.134 0.000 1.250 200 P CA -0.044 62.974 63.100 -0.136 0.000 0.793 200 P CB 0.746 32.363 31.700 -0.139 0.000 1.011 201 T N 0.618 115.082 114.554 -0.149 0.000 2.823 201 T HA 0.434 4.783 4.350 -0.001 0.000 0.279 201 T C -0.343 174.278 174.700 -0.132 0.000 0.998 201 T CA -0.687 61.305 62.100 -0.180 0.000 0.994 201 T CB 0.326 69.013 68.868 -0.302 0.000 0.960 201 T HN 0.267 nan 8.240 nan 0.000 0.448 202 R N 1.999 122.452 120.500 -0.078 0.000 2.711 202 R HA 0.486 4.825 4.340 -0.001 0.000 0.284 202 R C 0.931 177.297 176.300 0.109 0.000 0.968 202 R CA -0.659 55.431 56.100 -0.016 0.000 0.924 202 R CB 1.557 31.827 30.300 -0.051 0.000 1.162 202 R HN 0.787 nan 8.270 nan 0.000 0.465 203 T N -3.054 111.553 114.554 0.088 0.000 3.001 203 T HA 0.008 4.357 4.350 -0.001 0.000 0.251 203 T C 0.756 175.436 174.700 -0.032 0.000 1.040 203 T CA -0.269 61.889 62.100 0.097 0.000 0.985 203 T CB -0.133 68.791 68.868 0.094 0.000 1.011 203 T HN 0.571 nan 8.240 nan 0.000 0.509 204 N N 2.090 120.758 118.700 -0.052 0.000 2.452 204 N HA 0.224 4.963 4.740 -0.001 0.000 0.296 204 N C 0.349 175.809 175.510 -0.085 0.000 1.304 204 N CA -0.898 52.096 53.050 -0.093 0.000 0.956 204 N CB 0.362 38.797 38.487 -0.088 0.000 1.106 204 N HN 0.125 nan 8.380 nan 0.000 0.555 205 R N -1.481 118.966 120.500 -0.089 0.000 2.586 205 R HA 0.208 4.548 4.340 -0.001 0.000 0.336 205 R C -0.723 175.530 176.300 -0.078 0.000 1.060 205 R CA -0.488 55.563 56.100 -0.082 0.000 1.079 205 R CB -0.190 30.061 30.300 -0.082 0.000 1.317 205 R HN 0.530 nan 8.270 nan 0.000 0.568 206 D N 2.167 122.520 120.400 -0.079 0.000 2.383 206 D HA -0.026 4.613 4.640 -0.001 0.000 0.252 206 D C 0.350 176.594 176.300 -0.093 0.000 1.166 206 D CA 0.184 54.135 54.000 -0.082 0.000 0.879 206 D CB 0.788 41.539 40.800 -0.082 0.000 1.164 206 D HN 0.221 nan 8.370 nan 0.000 0.462 207 N N 2.688 121.332 118.700 -0.094 0.000 2.235 207 N HA 0.033 4.772 4.740 -0.001 0.000 0.231 207 N C -0.309 175.129 175.510 -0.120 0.000 1.177 207 N CA -0.398 52.589 53.050 -0.106 0.000 0.874 207 N CB 0.191 38.618 38.487 -0.099 0.000 1.097 207 N HN 0.143 nan 8.380 nan 0.000 0.518 208 R N -0.196 120.234 120.500 -0.117 0.000 2.490 208 R HA 0.163 4.502 4.340 -0.001 0.000 0.278 208 R C 0.321 176.526 176.300 -0.158 0.000 1.069 208 R CA -0.563 55.463 56.100 -0.123 0.000 1.080 208 R CB 0.669 30.917 30.300 -0.086 0.000 1.030 208 R HN 0.022 nan 8.270 nan 0.000 0.491 209 Y N 1.369 121.423 120.300 -0.410 0.000 2.314 209 Y HA 0.060 4.609 4.550 -0.001 0.000 0.293 209 Y C -0.205 175.208 175.900 -0.811 0.000 1.129 209 Y CA 1.029 58.727 58.100 -0.668 0.000 1.201 209 Y CB 0.401 38.310 38.460 -0.919 0.000 0.999 209 Y HN 0.376 nan 8.280 nan 0.000 0.541 210 F N -1.748 118.159 119.950 -0.072 0.000 2.546 210 F HA 0.579 5.105 4.527 -0.001 0.000 0.320 210 F C 0.581 176.317 175.800 -0.106 0.000 1.076 210 F CA -0.776 57.135 58.000 -0.149 0.000 0.928 210 F CB 1.507 40.371 39.000 -0.227 0.000 1.189 210 F HN -0.223 nan 8.300 nan 0.000 0.465 211 A N 0.659 123.526 122.820 0.079 0.000 2.545 211 A HA 0.278 4.597 4.320 -0.001 0.000 0.277 211 A C -0.383 177.201 177.584 -0.001 0.000 1.301 211 A CA -0.356 51.685 52.037 0.006 0.000 0.935 211 A CB -0.782 18.197 19.000 -0.035 0.000 1.093 211 A HN 0.655 nan 8.150 nan 0.000 0.519 212 D N 0.121 120.553 120.400 0.052 0.000 2.414 212 D HA 0.228 4.867 4.640 -0.001 0.000 0.242 212 D C 1.361 177.584 176.300 -0.128 0.000 1.129 212 D CA 0.454 54.444 54.000 -0.017 0.000 0.885 212 D CB 0.994 41.816 40.800 0.036 0.000 1.198 212 D HN 0.144 nan 8.370 nan 0.000 0.437 213 T N 0.920 115.334 114.554 -0.234 0.000 2.635 213 T HA -0.196 4.154 4.350 -0.001 0.000 0.267 213 T C 0.436 174.767 174.700 -0.615 0.000 1.040 213 T CA 1.357 63.180 62.100 -0.462 0.000 1.156 213 T CB -0.308 68.169 68.868 -0.653 0.000 0.863 213 T HN 0.351 nan 8.240 nan 0.000 0.430 214 Y N 1.635 121.733 120.300 -0.337 0.000 2.353 214 Y HA 0.481 5.030 4.550 -0.001 0.000 0.340 214 Y C 0.340 176.046 175.900 -0.324 0.000 0.972 214 Y CA -0.965 56.827 58.100 -0.513 0.000 1.157 214 Y CB 0.760 38.621 38.460 -0.999 0.000 1.157 214 Y HN 0.097 nan 8.280 nan 0.000 0.495 215 Q N 3.052 122.814 119.800 -0.065 0.000 2.490 215 Q HA 0.791 5.131 4.340 -0.001 0.000 0.255 215 Q C -1.204 174.886 176.000 0.150 0.000 0.997 215 Q CA -0.665 55.166 55.803 0.046 0.000 0.709 215 Q CB 1.906 30.679 28.738 0.058 0.000 1.255 215 Q HN 0.766 nan 8.270 nan 0.000 0.486 216 A N 2.685 125.641 122.820 0.227 0.000 2.612 216 A HA 0.792 5.111 4.320 -0.001 0.000 0.293 216 A C -1.309 176.583 177.584 0.514 0.000 1.075 216 A CA -0.737 51.512 52.037 0.353 0.000 0.680 216 A CB 1.601 20.777 19.000 0.292 0.000 1.279 216 A HN 0.494 nan 8.150 nan 0.000 0.411 217 M N 1.446 121.351 119.600 0.508 0.000 2.336 217 M HA 0.367 4.846 4.480 -0.001 0.000 0.342 217 M C -2.557 173.940 176.300 0.328 0.000 1.128 217 M CA -2.391 53.147 55.300 0.398 0.000 1.016 217 M CB 0.827 33.561 32.600 0.224 0.000 1.665 217 M HN 0.268 nan 8.290 nan 0.000 0.445 218 P HA -0.092 nan 4.420 nan 0.000 0.257 218 P C 0.912 178.109 177.300 -0.172 0.000 1.162 218 P CA 0.051 62.983 63.100 -0.279 0.000 0.762 218 P CB 0.161 31.563 31.700 -0.497 0.000 0.753 219 L N 4.619 125.719 121.223 -0.204 0.000 2.129 219 L HA -0.195 4.144 4.340 -0.001 0.000 0.212 219 L C 1.368 178.040 176.870 -0.331 0.000 1.087 219 L CA 2.196 56.893 54.840 -0.238 0.000 0.757 219 L CB -0.839 41.028 42.059 -0.320 0.000 0.896 219 L HN 0.481 nan 8.230 nan 0.000 0.434 220 H N -1.148 117.867 119.070 -0.092 0.000 2.893 220 H HA 0.549 5.105 4.556 -0.001 0.000 0.270 220 H C 0.809 176.094 175.328 -0.072 0.000 1.095 220 H CA 0.482 56.497 56.048 -0.055 0.000 1.186 220 H CB 0.402 30.136 29.762 -0.046 0.000 1.562 220 H HN 0.335 nan 8.280 nan 0.000 0.536 221 G N -0.358 108.420 108.800 -0.037 0.000 2.440 221 G HA2 -0.190 3.770 3.960 -0.001 0.000 0.684 221 G HA3 -0.190 3.770 3.960 -0.001 0.000 0.684 221 G C -0.217 174.613 174.900 -0.116 0.000 1.309 221 G CA -0.571 44.489 45.100 -0.067 0.000 0.931 221 G HN 0.101 nan 8.290 nan 0.000 0.612 222 Y N 0.271 120.561 120.300 -0.017 0.000 2.200 222 Y HA -0.048 4.502 4.550 -0.001 0.000 0.290 222 Y C 3.381 179.383 175.900 0.169 0.000 1.137 222 Y CA 2.486 60.632 58.100 0.076 0.000 1.163 222 Y CB -0.445 38.048 38.460 0.055 0.000 0.988 222 Y HN 0.627 nan 8.280 nan 0.000 0.518 223 T N 0.245 114.895 114.554 0.160 0.000 2.652 223 T HA -0.188 4.162 4.350 -0.001 0.000 0.267 223 T C 2.007 176.780 174.700 0.122 0.000 1.039 223 T CA 1.303 63.471 62.100 0.114 0.000 1.153 223 T CB -0.184 68.670 68.868 -0.025 0.000 0.863 223 T HN 0.176 nan 8.240 nan 0.000 0.428 224 R N 0.895 121.427 120.500 0.053 0.000 2.097 224 R HA -0.108 4.231 4.340 -0.001 0.000 0.236 224 R C 2.552 178.850 176.300 -0.003 0.000 1.135 224 R CA 1.778 57.889 56.100 0.019 0.000 0.934 224 R CB -1.163 29.143 30.300 0.010 0.000 0.846 224 R HN 0.510 nan 8.270 nan 0.000 0.431 225 M N -0.163 119.407 119.600 -0.050 0.000 2.088 225 M HA -0.238 4.241 4.480 -0.001 0.000 0.256 225 M C 2.020 178.231 176.300 -0.149 0.000 1.071 225 M CA 2.046 57.263 55.300 -0.139 0.000 1.097 225 M CB -0.416 32.030 32.600 -0.257 0.000 1.315 225 M HN 0.011 nan 8.290 nan 0.000 0.406 226 F N 0.758 120.627 119.950 -0.136 0.000 2.202 226 F HA -0.260 4.266 4.527 -0.001 0.000 0.301 226 F C 2.557 178.268 175.800 -0.149 0.000 1.082 226 F CA 2.039 59.935 58.000 -0.173 0.000 1.313 226 F CB -0.685 38.222 39.000 -0.155 0.000 1.024 226 F HN 0.329 nan 8.300 nan 0.000 0.495 227 Q N 0.700 120.545 119.800 0.076 0.000 1.895 227 Q HA -0.237 4.103 4.340 -0.001 0.000 0.217 227 Q C 2.093 178.073 176.000 -0.033 0.000 1.003 227 Q CA 2.254 58.069 55.803 0.021 0.000 0.871 227 Q CB -0.401 28.346 28.738 0.015 0.000 0.941 227 Q HN 0.266 nan 8.270 nan 0.000 0.421 228 N N 0.028 118.704 118.700 -0.041 0.000 2.132 228 N HA -0.236 4.504 4.740 -0.001 0.000 0.191 228 N C 1.571 177.029 175.510 -0.088 0.000 1.015 228 N CA 1.648 54.680 53.050 -0.030 0.000 0.864 228 N CB -0.460 38.032 38.487 0.010 0.000 1.006 228 N HN 0.400 nan 8.380 nan 0.000 0.430 229 M N -0.055 119.385 119.600 -0.266 0.000 2.549 229 M HA 0.028 4.507 4.480 -0.001 0.000 0.260 229 M C 0.875 176.949 176.300 -0.376 0.000 1.076 229 M CA 1.112 56.005 55.300 -0.678 0.000 1.090 229 M CB 0.218 32.236 32.600 -0.971 0.000 1.418 229 M HN 0.051 nan 8.290 nan 0.000 0.486 230 L N -1.059 120.059 121.223 -0.174 0.000 2.920 230 L HA 0.213 4.552 4.340 -0.001 0.000 0.257 230 L C 0.888 177.727 176.870 -0.052 0.000 1.150 230 L CA -0.212 54.573 54.840 -0.092 0.000 0.959 230 L CB 0.642 42.675 42.059 -0.044 0.000 1.321 230 L HN 0.217 nan 8.230 nan 0.000 0.555 231 S N -0.038 115.633 115.700 -0.047 0.000 4.139 231 S HA 0.249 4.718 4.470 -0.001 0.000 0.215 231 S C 0.184 174.775 174.600 -0.015 0.000 1.390 231 S CA -0.416 57.770 58.200 -0.024 0.000 0.885 231 S CB -0.100 63.089 63.200 -0.018 0.000 1.560 231 S HN 0.227 nan 8.310 nan 0.000 0.449 232 S N 1.804 117.496 115.700 -0.014 0.000 2.647 232 S HA 0.559 5.029 4.470 -0.001 0.000 0.300 232 S C -2.448 172.151 174.600 -0.001 0.000 1.129 232 S CA -1.487 56.711 58.200 -0.003 0.000 1.029 232 S CB 1.613 64.813 63.200 0.000 0.000 1.007 232 S HN 0.209 nan 8.310 nan 0.000 0.484 233 P HA -0.077 nan 4.420 nan 0.000 0.229 233 P C 0.541 177.844 177.300 0.006 0.000 1.147 233 P CA 1.021 64.123 63.100 0.003 0.000 0.766 233 P CB -0.054 31.649 31.700 0.004 0.000 0.775 234 N N -1.105 117.600 118.700 0.008 0.000 2.203 234 N HA 0.126 4.865 4.740 -0.001 0.000 0.207 234 N C -0.159 175.357 175.510 0.010 0.000 1.130 234 N CA -0.026 53.031 53.050 0.011 0.000 0.861 234 N CB 0.154 38.651 38.487 0.018 0.000 1.005 234 N HN 0.035 nan 8.380 nan 0.000 0.507 235 I N 0.561 121.132 120.570 0.003 0.000 2.498 235 I HA 0.330 4.500 4.170 -0.001 0.000 0.290 235 I C -0.748 175.365 176.117 -0.007 0.000 1.032 235 I CA -0.982 60.317 61.300 -0.002 0.000 1.073 235 I CB 1.831 39.824 38.000 -0.010 0.000 1.251 235 I HN -0.282 nan 8.210 nan 0.000 0.426 236 K N 5.404 125.798 120.400 -0.009 0.000 2.450 236 K HA 0.571 4.890 4.320 -0.001 0.000 0.257 236 K C -1.056 175.530 176.600 -0.023 0.000 0.953 236 K CA -0.536 55.743 56.287 -0.012 0.000 0.844 236 K CB 1.909 34.405 32.500 -0.007 0.000 1.103 236 K HN 0.250 nan 8.250 nan 0.000 0.429 237 V N 3.670 123.568 119.914 -0.027 0.000 2.513 237 V HA 0.549 4.668 4.120 -0.001 0.000 0.299 237 V C -0.306 175.763 176.094 -0.042 0.000 1.035 237 V CA -0.878 61.398 62.300 -0.040 0.000 0.889 237 V CB 1.685 33.483 31.823 -0.041 0.000 0.988 237 V HN 0.745 nan 8.190 nan 0.000 0.440 238 M N 5.931 125.499 119.600 -0.055 0.000 2.151 238 M HA 0.612 5.092 4.480 -0.001 0.000 0.290 238 M C -1.847 174.411 176.300 -0.071 0.000 0.965 238 M CA -0.315 54.953 55.300 -0.052 0.000 0.930 238 M CB 1.225 33.797 32.600 -0.046 0.000 1.560 238 M HN 0.552 nan 8.290 nan 0.000 0.438 239 L N 3.407 124.586 121.223 -0.073 0.000 2.332 239 L HA 0.551 4.890 4.340 -0.001 0.000 0.269 239 L C 0.785 177.603 176.870 -0.086 0.000 1.016 239 L CA -0.770 54.009 54.840 -0.101 0.000 0.809 239 L CB 1.293 43.284 42.059 -0.114 0.000 1.280 239 L HN 0.971 nan 8.230 nan 0.000 0.447 240 N N -0.555 118.081 118.700 -0.106 0.000 2.741 240 N HA -0.167 4.572 4.740 -0.001 0.000 0.250 240 N C -0.907 174.566 175.510 -0.062 0.000 1.115 240 N CA 1.171 54.172 53.050 -0.081 0.000 0.724 240 N CB -0.669 37.784 38.487 -0.058 0.000 1.090 240 N HN 0.798 nan 8.380 nan 0.000 0.558 241 T N 0.233 114.746 114.554 -0.069 0.000 2.840 241 T HA 0.198 4.548 4.350 -0.001 0.000 0.287 241 T C -0.861 173.805 174.700 -0.055 0.000 0.991 241 T CA -0.749 61.318 62.100 -0.055 0.000 0.964 241 T CB 1.730 70.568 68.868 -0.051 0.000 0.954 241 T HN 0.137 nan 8.240 nan 0.000 0.438 242 D N 1.419 121.781 120.400 -0.063 0.000 2.302 242 D HA 0.073 4.713 4.640 -0.001 0.000 0.248 242 D C 1.116 177.355 176.300 -0.102 0.000 1.094 242 D CA -0.522 53.435 54.000 -0.072 0.000 0.897 242 D CB 0.879 41.600 40.800 -0.131 0.000 1.200 242 D HN 0.687 nan 8.370 nan 0.000 0.429 243 Y N 2.892 123.134 120.300 -0.096 0.000 2.207 243 Y HA -0.083 4.466 4.550 -0.001 0.000 0.287 243 Y C 2.018 177.831 175.900 -0.144 0.000 1.156 243 Y CA 0.905 58.920 58.100 -0.140 0.000 1.182 243 Y CB -0.337 38.043 38.460 -0.133 0.000 0.979 243 Y HN 0.287 nan 8.280 nan 0.000 0.521 244 R N 0.813 120.709 120.500 -1.007 0.000 2.293 244 R HA -0.111 4.228 4.340 -0.001 0.000 0.219 244 R C 1.602 177.721 176.300 -0.302 0.000 1.091 244 R CA 1.415 57.095 56.100 -0.701 0.000 1.004 244 R CB -0.237 29.625 30.300 -0.729 0.000 0.865 244 R HN 0.639 nan 8.270 nan 0.000 0.469 245 E N 0.129 120.194 120.200 -0.224 0.000 2.385 245 E HA -0.041 4.308 4.350 -0.001 0.000 0.194 245 E C 1.506 178.059 176.600 -0.079 0.000 1.013 245 E CA 0.755 57.105 56.400 -0.085 0.000 0.866 245 E CB 0.367 30.038 29.700 -0.048 0.000 0.832 245 E HN 0.487 nan 8.360 nan 0.000 0.500 246 I N -4.778 115.633 120.570 -0.264 0.000 4.442 246 I HA 0.413 4.582 4.170 -0.001 0.000 0.331 246 I C 1.782 177.581 176.117 -0.530 0.000 1.364 246 I CA -0.131 60.765 61.300 -0.674 0.000 1.207 246 I CB 0.606 38.293 38.000 -0.521 0.000 1.298 246 I HN -0.166 nan 8.210 nan 0.000 0.463 247 A N 1.382 124.074 122.820 -0.213 0.000 1.969 247 A HA -0.149 4.170 4.320 -0.001 0.000 0.218 247 A C 1.750 179.364 177.584 0.050 0.000 1.169 247 A CA 2.020 54.073 52.037 0.027 0.000 0.635 247 A CB -0.524 18.540 19.000 0.106 0.000 0.810 247 A HN 0.430 nan 8.150 nan 0.000 0.445 248 D N -1.327 119.059 120.400 -0.023 0.000 2.312 248 D HA -0.007 4.632 4.640 -0.001 0.000 0.211 248 D C 0.810 177.210 176.300 0.167 0.000 0.964 248 D CA 1.184 55.236 54.000 0.087 0.000 0.877 248 D CB -0.042 40.844 40.800 0.143 0.000 0.924 248 D HN 0.699 nan 8.370 nan 0.000 0.515 249 F N -1.778 118.214 119.950 0.071 0.000 2.901 249 F HA 0.409 4.935 4.527 -0.001 0.000 0.329 249 F C -0.325 175.520 175.800 0.076 0.000 1.185 249 F CA -0.701 57.331 58.000 0.054 0.000 1.114 249 F CB -0.049 38.968 39.000 0.030 0.000 1.199 249 F HN -0.328 nan 8.300 nan 0.000 0.513 250 I N 3.864 124.364 120.570 -0.116 0.000 2.474 250 I HA 0.405 4.575 4.170 -0.001 0.000 0.294 250 I C -2.399 173.823 176.117 0.176 0.000 1.005 250 I CA -2.036 59.267 61.300 0.006 0.000 1.113 250 I CB 2.373 40.299 38.000 -0.123 0.000 1.289 250 I HN -0.121 nan 8.210 nan 0.000 0.436 251 P HA 0.335 nan 4.420 nan 0.000 0.291 251 P C -1.322 176.078 177.300 0.167 0.000 1.340 251 P CA -0.082 63.066 63.100 0.080 0.000 0.799 251 P CB 0.045 31.772 31.700 0.045 0.000 0.917 252 F N 0.468 120.402 119.950 -0.027 0.000 2.588 252 F HA 0.518 5.045 4.527 -0.001 0.000 0.310 252 F C 0.888 176.662 175.800 -0.042 0.000 1.082 252 F CA -1.045 56.931 58.000 -0.040 0.000 0.929 252 F CB 1.035 40.022 39.000 -0.021 0.000 1.254 252 F HN -0.027 nan 8.300 nan 0.000 0.455 253 Q N 1.371 121.165 119.800 -0.010 0.000 2.013 253 Q HA 0.008 4.347 4.340 -0.001 0.000 0.195 253 Q C 0.161 176.199 176.000 0.064 0.000 0.974 253 Q CA 1.390 57.145 55.803 -0.080 0.000 0.826 253 Q CB -0.305 28.352 28.738 -0.135 0.000 0.895 253 Q HN 0.903 nan 8.270 nan 0.000 0.448 254 H N -1.897 117.292 119.070 0.198 0.000 2.573 254 H HA 0.659 5.214 4.556 -0.001 0.000 0.351 254 H C -0.645 174.861 175.328 0.297 0.000 1.163 254 H CA -0.792 55.381 56.048 0.208 0.000 1.205 254 H CB 1.867 31.696 29.762 0.112 0.000 1.605 254 H HN 0.043 nan 8.280 nan 0.000 0.525 255 M N 3.155 123.006 119.600 0.419 0.000 2.364 255 M HA 0.420 4.899 4.480 -0.001 0.000 0.334 255 M C -1.763 174.517 176.300 -0.033 0.000 1.107 255 M CA -0.908 54.486 55.300 0.157 0.000 0.988 255 M CB 1.464 34.140 32.600 0.127 0.000 1.673 255 M HN 0.666 nan 8.290 nan 0.000 0.441 256 I N 5.351 125.846 120.570 -0.125 0.000 2.460 256 I HA 0.200 4.369 4.170 -0.001 0.000 0.277 256 I C -1.405 174.566 176.117 -0.243 0.000 1.057 256 I CA -0.669 60.510 61.300 -0.202 0.000 1.179 256 I CB 0.510 38.397 38.000 -0.189 0.000 1.329 256 I HN 0.635 nan 8.210 nan 0.000 0.478 257 Y N 5.428 125.391 120.300 -0.562 0.000 2.359 257 Y HA 0.203 4.753 4.550 -0.001 0.000 0.334 257 Y C 1.307 176.941 175.900 -0.442 0.000 1.058 257 Y CA -0.055 57.675 58.100 -0.618 0.000 1.244 257 Y CB 1.198 39.060 38.460 -0.997 0.000 1.187 257 Y HN 0.569 nan 8.280 nan 0.000 0.510 258 T N 2.123 116.193 114.554 -0.805 0.000 3.252 258 T HA 0.445 4.795 4.350 -0.001 0.000 0.286 258 T C 0.512 174.850 174.700 -0.604 0.000 1.013 258 T CA 0.059 61.859 62.100 -0.501 0.000 0.914 258 T CB -0.619 68.097 68.868 -0.253 0.000 1.131 258 T HN 0.741 nan 8.240 nan 0.000 0.529 259 G N 1.898 109.919 108.800 -1.298 0.000 2.568 259 G HA2 0.661 4.621 3.960 -0.001 0.000 0.293 259 G HA3 0.661 4.621 3.960 -0.001 0.000 0.293 259 G C -2.953 171.865 174.900 -0.138 0.000 1.347 259 G CA -1.994 42.686 45.100 -0.699 0.000 1.039 259 G HN 0.173 nan 8.290 nan 0.000 0.523 260 P HA 0.121 nan 4.420 nan 0.000 0.268 260 P C 1.249 178.770 177.300 0.369 0.000 1.205 260 P CA -0.311 62.868 63.100 0.131 0.000 0.771 260 P CB 1.134 32.737 31.700 -0.161 0.000 0.858 261 V N 0.687 120.804 119.914 0.338 0.000 2.379 261 V HA -0.187 3.932 4.120 -0.001 0.000 0.245 261 V C 1.681 177.727 176.094 -0.080 0.000 1.044 261 V CA 2.073 64.500 62.300 0.212 0.000 1.036 261 V CB -1.597 30.362 31.823 0.226 0.000 0.664 261 V HN 0.471 nan 8.190 nan 0.000 0.453 262 D N 2.125 122.305 120.400 -0.368 0.000 2.263 262 D HA -0.106 4.533 4.640 -0.001 0.000 0.208 262 D C 1.856 177.716 176.300 -0.734 0.000 0.971 262 D CA 1.731 55.288 54.000 -0.738 0.000 0.867 262 D CB -0.145 40.324 40.800 -0.552 0.000 0.929 262 D HN 0.565 nan 8.370 nan 0.000 0.492 263 A N -0.004 122.485 122.820 -0.551 0.000 1.903 263 A HA 0.093 4.413 4.320 -0.001 0.000 0.213 263 A C 1.944 179.371 177.584 -0.263 0.000 1.185 263 A CA 0.294 52.000 52.037 -0.551 0.000 0.628 263 A CB -1.132 17.766 19.000 -0.170 0.000 0.830 263 A HN 0.212 nan 8.150 nan 0.000 0.446 264 F N -0.840 118.869 119.950 -0.401 0.000 2.449 264 F HA -0.038 4.488 4.527 -0.001 0.000 0.299 264 F C 0.515 175.905 175.800 -0.684 0.000 1.092 264 F CA 1.105 58.708 58.000 -0.662 0.000 1.446 264 F CB 0.021 38.413 39.000 -1.013 0.000 1.084 264 F HN 0.214 nan 8.300 nan 0.000 0.567 265 F N -0.107 119.917 119.950 0.122 0.000 2.835 265 F HA 0.206 4.733 4.527 -0.001 0.000 0.342 265 F C 0.040 175.857 175.800 0.028 0.000 1.202 265 F CA -0.859 57.215 58.000 0.124 0.000 1.240 265 F CB -0.130 39.025 39.000 0.258 0.000 1.005 265 F HN -0.215 nan 8.300 nan 0.000 0.507 266 D N -0.123 120.307 120.400 0.050 0.000 2.792 266 D HA -0.297 4.342 4.640 -0.001 0.000 0.231 266 D C 0.156 176.628 176.300 0.288 0.000 1.160 266 D CA 1.178 55.251 54.000 0.121 0.000 0.697 266 D CB -1.954 38.924 40.800 0.131 0.000 1.070 266 D HN 0.433 nan 8.370 nan 0.000 0.426 267 F N -3.247 116.839 119.950 0.227 0.000 3.090 267 F HA -0.389 4.138 4.527 -0.001 0.000 0.282 267 F C 2.342 178.265 175.800 0.205 0.000 0.923 267 F CA 0.484 58.632 58.000 0.247 0.000 0.977 267 F CB -2.423 36.669 39.000 0.153 0.000 0.954 267 F HN 0.469 nan 8.300 nan 0.000 0.695 268 C N -2.220 117.217 119.300 0.228 0.000 2.453 268 C HA -0.172 4.287 4.460 -0.001 0.000 0.277 268 C C 2.378 177.303 174.990 -0.109 0.000 1.262 268 C CA 1.434 60.419 59.018 -0.056 0.000 1.718 268 C CB -1.252 26.284 27.740 -0.341 0.000 2.031 268 C HN 0.553 nan 8.230 nan 0.000 0.480 269 Y N 2.660 122.980 120.300 0.033 0.000 2.457 269 Y HA 0.419 4.968 4.550 -0.001 0.000 0.292 269 Y C 1.707 177.697 175.900 0.149 0.000 1.125 269 Y CA 0.880 58.947 58.100 -0.055 0.000 1.254 269 Y CB -0.898 37.310 38.460 -0.420 0.000 1.012 269 Y HN 0.811 nan 8.280 nan 0.000 0.555 270 G N -0.380 108.700 108.800 0.466 0.000 2.351 270 G HA2 0.086 4.046 3.960 -0.001 0.000 0.353 270 G HA3 0.086 4.046 3.960 -0.001 0.000 0.353 270 G C -1.674 173.532 174.900 0.511 0.000 1.358 270 G CA -1.348 43.995 45.100 0.405 0.000 0.995 270 G HN 0.008 nan 8.290 nan 0.000 0.611 271 K N 0.231 120.875 120.400 0.407 0.000 2.379 271 K HA 0.473 4.793 4.320 -0.001 0.000 0.284 271 K C 0.209 176.999 176.600 0.316 0.000 1.044 271 K CA -0.389 56.166 56.287 0.447 0.000 0.974 271 K CB 0.575 33.238 32.500 0.271 0.000 0.962 271 K HN 0.526 nan 8.250 nan 0.000 0.474 272 L N 8.091 129.477 121.223 0.271 0.000 2.283 272 L HA 0.325 4.664 4.340 -0.001 0.000 0.287 272 L C -2.053 174.942 176.870 0.209 0.000 1.073 272 L CA -2.295 52.611 54.840 0.109 0.000 0.822 272 L CB 1.119 43.111 42.059 -0.112 0.000 1.186 272 L HN 0.620 nan 8.230 nan 0.000 0.436 273 P HA 0.012 nan 4.420 nan 0.000 0.260 273 P C -1.472 175.951 177.300 0.204 0.000 1.207 273 P CA 0.570 63.804 63.100 0.224 0.000 0.780 273 P CB 0.002 31.815 31.700 0.189 0.000 0.789 274 Y N 2.266 122.725 120.300 0.265 0.000 2.409 274 Y HA 0.538 5.087 4.550 -0.001 0.000 0.339 274 Y C 1.056 177.073 175.900 0.196 0.000 1.033 274 Y CA -0.888 57.358 58.100 0.244 0.000 1.094 274 Y CB 1.505 40.080 38.460 0.192 0.000 1.210 274 Y HN 0.155 nan 8.280 nan 0.000 0.456 275 R N 1.003 121.714 120.500 0.351 0.000 2.500 275 R HA 0.602 4.941 4.340 -0.001 0.000 0.275 275 R C -0.459 175.994 176.300 0.256 0.000 1.051 275 R CA -0.153 56.074 56.100 0.211 0.000 1.088 275 R CB 1.206 31.508 30.300 0.003 0.000 1.063 275 R HN 0.696 nan 8.270 nan 0.000 0.511 276 S N 1.999 117.802 115.700 0.172 0.000 2.709 276 S HA 0.766 5.236 4.470 -0.001 0.000 0.302 276 S C -1.384 173.362 174.600 0.243 0.000 1.127 276 S CA -0.769 57.577 58.200 0.244 0.000 0.905 276 S CB 0.705 63.971 63.200 0.110 0.000 1.151 276 S HN 0.400 nan 8.310 nan 0.000 0.510 277 L N 1.284 122.723 121.223 0.360 0.000 2.376 277 L HA 0.643 4.982 4.340 -0.001 0.000 0.258 277 L C -0.753 176.063 176.870 -0.090 0.000 1.013 277 L CA -0.681 54.157 54.840 -0.002 0.000 0.822 277 L CB 2.174 44.034 42.059 -0.332 0.000 1.388 277 L HN 0.687 nan 8.230 nan 0.000 0.413 278 E N 0.951 121.019 120.200 -0.221 0.000 2.210 278 E HA 0.528 4.877 4.350 -0.001 0.000 0.266 278 E C -1.831 174.641 176.600 -0.213 0.000 0.883 278 E CA -0.552 55.773 56.400 -0.124 0.000 0.761 278 E CB 1.484 31.173 29.700 -0.018 0.000 1.156 278 E HN 0.316 nan 8.360 nan 0.000 0.412 279 F N 2.856 122.914 119.950 0.180 0.000 2.427 279 F HA 0.487 5.013 4.527 -0.001 0.000 0.346 279 F C 0.369 176.202 175.800 0.055 0.000 1.120 279 F CA -0.852 57.205 58.000 0.094 0.000 1.033 279 F CB 1.514 40.526 39.000 0.020 0.000 1.126 279 F HN 0.221 nan 8.300 nan 0.000 0.462 280 R N 2.973 123.607 120.500 0.224 0.000 2.288 280 R HA 0.327 4.667 4.340 -0.001 0.000 0.326 280 R C -0.837 175.512 176.300 0.082 0.000 0.959 280 R CA -0.699 55.493 56.100 0.154 0.000 0.834 280 R CB 0.841 31.236 30.300 0.158 0.000 1.157 280 R HN 0.628 nan 8.270 nan 0.000 0.470 281 H N 2.166 121.350 119.070 0.190 0.000 2.467 281 H HA 0.337 4.892 4.556 -0.001 0.000 0.331 281 H C -0.196 175.190 175.328 0.097 0.000 1.120 281 H CA -0.128 56.017 56.048 0.162 0.000 1.270 281 H CB 1.799 31.625 29.762 0.107 0.000 1.466 281 H HN 0.526 nan 8.280 nan 0.000 0.504 282 E N 0.809 121.134 120.200 0.208 0.000 2.408 282 E HA 0.342 4.692 4.350 -0.001 0.000 0.275 282 E C -0.942 175.646 176.600 -0.020 0.000 0.935 282 E CA -0.882 55.542 56.400 0.040 0.000 0.775 282 E CB 2.532 32.230 29.700 -0.003 0.000 1.277 282 E HN 0.386 nan 8.360 nan 0.000 0.455 283 T N 1.225 115.683 114.554 -0.160 0.000 2.841 283 T HA 0.401 4.750 4.350 -0.001 0.000 0.285 283 T C -1.269 173.267 174.700 -0.273 0.000 0.991 283 T CA -0.671 61.348 62.100 -0.136 0.000 0.966 283 T CB 0.580 69.402 68.868 -0.076 0.000 0.962 283 T HN 0.321 nan 8.240 nan 0.000 0.438 284 H N 0.976 120.057 119.070 0.019 0.000 2.469 284 H HA 0.316 4.871 4.556 -0.001 0.000 0.342 284 H C 0.028 175.364 175.328 0.014 0.000 1.115 284 H CA -0.703 55.359 56.048 0.023 0.000 1.204 284 H CB 1.167 30.947 29.762 0.030 0.000 1.492 284 H HN 0.416 nan 8.280 nan 0.000 0.499 285 D N 1.798 122.280 120.400 0.138 0.000 2.841 285 D HA 0.006 4.645 4.640 -0.001 0.000 0.244 285 D C -0.316 176.046 176.300 0.104 0.000 1.228 285 D CA 0.329 54.386 54.000 0.095 0.000 0.872 285 D CB -0.275 40.582 40.800 0.095 0.000 1.082 285 D HN 0.463 nan 8.370 nan 0.000 0.457 286 T N -1.636 112.980 114.554 0.103 0.000 2.906 286 T HA 0.226 4.575 4.350 -0.001 0.000 0.295 286 T C 1.021 175.764 174.700 0.071 0.000 1.075 286 T CA -0.554 61.595 62.100 0.082 0.000 1.005 286 T CB 1.571 70.476 68.868 0.062 0.000 1.136 286 T HN -0.047 nan 8.240 nan 0.000 0.498 287 E N 0.623 120.861 120.200 0.063 0.000 2.047 287 E HA -0.027 4.322 4.350 -0.001 0.000 0.191 287 E C 0.655 177.273 176.600 0.030 0.000 0.987 287 E CA 0.835 57.269 56.400 0.056 0.000 0.799 287 E CB 0.250 29.980 29.700 0.050 0.000 0.752 287 E HN 0.557 nan 8.360 nan 0.000 0.449 288 Q N -0.350 119.464 119.800 0.024 0.000 2.421 288 Q HA 0.285 4.624 4.340 -0.001 0.000 0.280 288 Q C -0.634 175.384 176.000 0.031 0.000 1.085 288 Q CA -0.324 55.491 55.803 0.020 0.000 0.807 288 Q CB 1.804 30.546 28.738 0.006 0.000 1.405 288 Q HN 0.108 nan 8.270 nan 0.000 0.419 289 L N 2.168 123.419 121.223 0.046 0.000 3.017 289 L HA 0.488 4.828 4.340 -0.001 0.000 0.265 289 L C -1.377 175.493 176.870 -0.001 0.000 1.128 289 L CA 0.498 55.330 54.840 -0.013 0.000 0.984 289 L CB 1.170 43.180 42.059 -0.082 0.000 1.464 289 L HN 0.603 nan 8.230 nan 0.000 0.556 290 L N -0.052 121.209 121.223 0.062 0.000 2.388 290 L HA 0.459 4.798 4.340 -0.001 0.000 0.264 290 L C -1.720 175.158 176.870 0.014 0.000 0.998 290 L CA -1.693 53.143 54.840 -0.006 0.000 0.817 290 L CB 1.683 43.681 42.059 -0.102 0.000 1.338 290 L HN -0.309 nan 8.230 nan 0.000 0.414 291 P HA -0.092 nan 4.420 nan 0.000 0.218 291 P C 0.181 177.398 177.300 -0.139 0.000 1.148 291 P CA 1.141 64.214 63.100 -0.045 0.000 0.822 291 P CB 0.159 31.817 31.700 -0.071 0.000 0.784 292 T N -7.254 107.064 114.554 -0.394 0.000 2.681 292 T HA 0.530 4.880 4.350 -0.001 0.000 0.296 292 T C 1.376 175.514 174.700 -0.938 0.000 1.157 292 T CA -0.206 61.507 62.100 -0.645 0.000 1.025 292 T CB 0.884 69.549 68.868 -0.339 0.000 1.441 292 T HN -0.080 nan 8.240 nan 0.000 0.504 293 G N 0.256 108.730 108.800 -0.543 0.000 2.440 293 G HA2 0.247 4.207 3.960 -0.001 0.000 0.218 293 G HA3 0.247 4.207 3.960 -0.001 0.000 0.218 293 G C 0.360 175.192 174.900 -0.114 0.000 1.154 293 G CA 1.018 46.032 45.100 -0.144 0.000 0.767 293 G HN 0.927 nan 8.290 nan 0.000 0.552 294 T N -0.876 113.586 114.554 -0.152 0.000 2.912 294 T HA 0.540 4.890 4.350 -0.001 0.000 0.299 294 T C -1.266 173.315 174.700 -0.199 0.000 1.052 294 T CA -0.460 61.557 62.100 -0.138 0.000 0.996 294 T CB 2.906 71.758 68.868 -0.025 0.000 1.070 294 T HN -0.068 nan 8.240 nan 0.000 0.465 295 V N 3.434 123.258 119.914 -0.151 0.000 2.443 295 V HA 0.424 4.544 4.120 -0.001 0.000 0.293 295 V C -0.532 175.488 176.094 -0.123 0.000 1.021 295 V CA -1.094 61.098 62.300 -0.179 0.000 0.848 295 V CB 1.652 33.363 31.823 -0.188 0.000 0.998 295 V HN 0.757 nan 8.190 nan 0.000 0.424 296 N N 2.829 121.446 118.700 -0.138 0.000 2.530 296 N HA 0.430 5.169 4.740 -0.001 0.000 0.277 296 N C -1.025 174.408 175.510 -0.129 0.000 1.168 296 N CA -0.087 52.986 53.050 0.038 0.000 0.979 296 N CB 0.675 39.216 38.487 0.090 0.000 1.141 296 N HN 0.590 nan 8.380 nan 0.000 0.459 297 Y N 0.944 121.331 120.300 0.145 0.000 2.787 297 Y HA 0.308 4.857 4.550 -0.001 0.000 0.352 297 Y C -1.597 174.331 175.900 0.047 0.000 1.027 297 Y CA -1.622 56.526 58.100 0.081 0.000 1.219 297 Y CB 1.650 40.163 38.460 0.089 0.000 1.110 297 Y HN 0.548 nan 8.280 nan 0.000 0.614 298 P HA -0.056 nan 4.420 nan 0.000 0.221 298 P C 0.453 177.765 177.300 0.021 0.000 1.150 298 P CA 1.444 64.624 63.100 0.134 0.000 0.800 298 P CB 0.525 32.238 31.700 0.021 0.000 0.787 299 N N -1.479 117.217 118.700 -0.007 0.000 2.160 299 N HA 0.112 4.852 4.740 -0.001 0.000 0.226 299 N C -0.395 175.075 175.510 -0.067 0.000 1.256 299 N CA 0.211 53.230 53.050 -0.052 0.000 0.890 299 N CB 1.101 39.533 38.487 -0.091 0.000 1.116 299 N HN 0.176 nan 8.380 nan 0.000 0.517 300 D N 0.019 120.404 120.400 -0.026 0.000 2.645 300 D HA 0.344 4.983 4.640 -0.001 0.000 0.228 300 D C -0.393 175.789 176.300 -0.195 0.000 1.148 300 D CA -0.203 53.691 54.000 -0.176 0.000 0.860 300 D CB 2.112 42.792 40.800 -0.201 0.000 1.548 300 D HN -0.178 nan 8.370 nan 0.000 0.460 301 Y N -0.493 119.625 120.300 -0.304 0.000 2.499 301 Y HA -0.296 4.254 4.550 -0.001 0.000 0.044 301 Y C 1.060 176.683 175.900 -0.462 0.000 1.695 301 Y CA 0.278 58.061 58.100 -0.527 0.000 1.424 301 Y CB -1.059 36.699 38.460 -1.171 0.000 2.069 301 Y HN 0.512 nan 8.280 nan 0.000 0.253 302 A N -0.340 122.323 122.820 -0.262 0.000 2.132 302 A HA 0.214 4.533 4.320 -0.001 0.000 0.213 302 A C -0.020 177.446 177.584 -0.197 0.000 1.154 302 A CA 1.005 52.985 52.037 -0.095 0.000 0.753 302 A CB -0.497 18.606 19.000 0.171 0.000 0.826 302 A HN 0.633 nan 8.150 nan 0.000 0.469 303 Y N -1.719 118.394 120.300 -0.312 0.000 2.334 303 Y HA 0.522 5.072 4.550 -0.001 0.000 0.328 303 Y C 1.360 177.075 175.900 -0.309 0.000 1.130 303 Y CA -0.559 57.191 58.100 -0.583 0.000 1.163 303 Y CB 0.149 38.061 38.460 -0.913 0.000 1.207 303 Y HN 0.050 nan 8.280 nan 0.000 0.471 304 T N -0.419 114.044 114.554 -0.150 0.000 2.942 304 T HA 0.130 4.480 4.350 -0.001 0.000 0.265 304 T C 0.392 175.137 174.700 0.075 0.000 1.062 304 T CA 0.847 62.814 62.100 -0.222 0.000 1.139 304 T CB -0.187 68.383 68.868 -0.496 0.000 0.883 304 T HN 0.877 nan 8.240 nan 0.000 0.468 305 R N -0.959 119.615 120.500 0.124 0.000 2.741 305 R HA 0.686 5.025 4.340 -0.001 0.000 0.274 305 R C -2.383 173.889 176.300 -0.045 0.000 1.029 305 R CA -1.079 55.134 56.100 0.189 0.000 0.880 305 R CB 1.319 31.705 30.300 0.143 0.000 1.264 305 R HN 0.021 nan 8.270 nan 0.000 0.465 306 V N 0.468 120.311 119.914 -0.119 0.000 2.760 306 V HA 0.604 4.723 4.120 -0.001 0.000 0.309 306 V C -0.718 175.183 176.094 -0.323 0.000 1.077 306 V CA -0.763 61.273 62.300 -0.441 0.000 0.910 306 V CB 2.158 33.569 31.823 -0.687 0.000 1.008 306 V HN 0.838 nan 8.190 nan 0.000 0.424 307 S N 2.188 117.644 115.700 -0.406 0.000 2.526 307 S HA 0.572 5.041 4.470 -0.001 0.000 0.293 307 S C -0.863 173.409 174.600 -0.547 0.000 1.092 307 S CA -0.651 57.303 58.200 -0.409 0.000 0.980 307 S CB 2.081 65.033 63.200 -0.413 0.000 1.048 307 S HN 0.840 nan 8.310 nan 0.000 0.483 308 E N 1.533 121.510 120.200 -0.372 0.000 2.155 308 E HA 0.360 4.709 4.350 -0.001 0.000 0.264 308 E C -0.418 176.078 176.600 -0.174 0.000 0.886 308 E CA -0.412 55.856 56.400 -0.221 0.000 0.752 308 E CB 0.490 30.238 29.700 0.080 0.000 1.133 308 E HN 0.604 nan 8.360 nan 0.000 0.414 309 F N 3.221 123.150 119.950 -0.035 0.000 2.293 309 F HA -0.062 4.465 4.527 -0.001 0.000 0.300 309 F C 1.924 177.659 175.800 -0.108 0.000 1.086 309 F CA 0.641 58.561 58.000 -0.134 0.000 1.375 309 F CB 0.074 38.921 39.000 -0.254 0.000 1.045 309 F HN 0.421 nan 8.300 nan 0.000 0.516 310 K N -0.448 119.998 120.400 0.077 0.000 2.103 310 K HA -0.191 4.129 4.320 -0.001 0.000 0.207 310 K C 1.809 178.389 176.600 -0.033 0.000 1.048 310 K CA 1.383 57.667 56.287 -0.005 0.000 0.930 310 K CB -0.475 31.996 32.500 -0.048 0.000 0.716 310 K HN 0.357 nan 8.250 nan 0.000 0.444 311 H N 0.590 119.667 119.070 0.013 0.000 2.390 311 H HA -0.132 4.423 4.556 -0.001 0.000 0.298 311 H C 2.133 177.422 175.328 -0.065 0.000 1.106 311 H CA 1.609 57.691 56.048 0.056 0.000 1.297 311 H CB -0.073 29.753 29.762 0.107 0.000 1.375 311 H HN 0.222 nan 8.280 nan 0.000 0.509 312 I N 0.140 120.675 120.570 -0.059 0.000 2.429 312 I HA -0.148 4.022 4.170 -0.001 0.000 0.247 312 I C 2.716 178.626 176.117 -0.346 0.000 1.099 312 I CA 1.441 62.472 61.300 -0.447 0.000 1.422 312 I CB -0.270 37.664 38.000 -0.110 0.000 1.112 312 I HN 0.231 nan 8.210 nan 0.000 0.430 313 T N -1.942 112.547 114.554 -0.108 0.000 2.978 313 T HA 0.198 4.548 4.350 -0.001 0.000 0.262 313 T C 1.741 176.421 174.700 -0.034 0.000 1.063 313 T CA 0.913 62.983 62.100 -0.050 0.000 1.140 313 T CB 0.290 69.134 68.868 -0.040 0.000 0.886 313 T HN 0.536 nan 8.240 nan 0.000 0.470 314 G N 0.818 109.601 108.800 -0.028 0.000 2.258 314 G HA2 -0.296 3.663 3.960 -0.001 0.000 0.233 314 G HA3 -0.296 3.663 3.960 -0.001 0.000 0.233 314 G C 0.054 174.966 174.900 0.020 0.000 1.006 314 G CA 0.210 45.314 45.100 0.007 0.000 0.620 314 G HN 0.888 nan 8.290 nan 0.000 0.511 315 Q N 1.174 120.991 119.800 0.027 0.000 2.485 315 Q HA 0.054 4.394 4.340 -0.001 0.000 0.348 315 Q C 0.617 176.663 176.000 0.077 0.000 1.097 315 Q CA 0.513 56.355 55.803 0.066 0.000 1.079 315 Q CB 0.239 29.021 28.738 0.073 0.000 1.108 315 Q HN 0.627 nan 8.270 nan 0.000 0.400 316 R N 3.948 124.507 120.500 0.098 0.000 2.265 316 R HA 0.262 4.601 4.340 -0.001 0.000 0.319 316 R C -1.246 175.150 176.300 0.160 0.000 1.006 316 R CA -0.383 55.776 56.100 0.098 0.000 0.880 316 R CB 0.807 31.146 30.300 0.066 0.000 1.077 316 R HN 0.711 nan 8.270 nan 0.000 0.454 317 H N 3.063 122.158 119.070 0.042 0.000 3.012 317 H HA 0.074 4.629 4.556 -0.001 0.000 0.367 317 H C -0.076 175.284 175.328 0.054 0.000 1.211 317 H CA -0.479 55.599 56.048 0.051 0.000 1.139 317 H CB 1.470 31.238 29.762 0.011 0.000 1.838 317 H HN 0.921 nan 8.280 nan 0.000 0.550 318 H N 1.711 120.702 119.070 -0.131 0.000 2.547 318 H HA 0.244 4.800 4.556 -0.001 0.000 0.266 318 H C -0.533 174.891 175.328 0.159 0.000 0.988 318 H CA -0.002 56.045 56.048 -0.001 0.000 1.147 318 H CB 1.024 30.737 29.762 -0.081 0.000 1.365 318 H HN 0.438 nan 8.280 nan 0.000 0.589 319 Q N 0.148 119.989 119.800 0.068 0.000 2.605 319 Q HA 0.426 4.765 4.340 -0.001 0.000 0.296 319 Q C -1.150 174.882 176.000 0.053 0.000 1.056 319 Q CA -0.946 54.874 55.803 0.028 0.000 0.778 319 Q CB 2.939 31.611 28.738 -0.110 0.000 1.497 319 Q HN 0.188 nan 8.270 nan 0.000 0.443 320 T N -0.129 114.431 114.554 0.010 0.000 2.952 320 T HA 0.510 4.859 4.350 -0.001 0.000 0.305 320 T C -1.385 173.342 174.700 0.044 0.000 1.064 320 T CA -0.329 61.776 62.100 0.009 0.000 1.008 320 T CB 1.436 70.333 68.868 0.048 0.000 1.078 320 T HN 0.428 nan 8.240 nan 0.000 0.459 321 S N 2.270 117.995 115.700 0.042 0.000 2.509 321 S HA 0.821 5.291 4.470 -0.001 0.000 0.297 321 S C -0.090 174.613 174.600 0.171 0.000 1.118 321 S CA -0.639 57.632 58.200 0.118 0.000 1.074 321 S CB 1.378 64.643 63.200 0.109 0.000 1.038 321 S HN 0.899 nan 8.310 nan 0.000 0.498 322 V N 0.191 120.199 119.914 0.158 0.000 3.158 322 V HA 0.971 5.090 4.120 -0.001 0.000 0.311 322 V C -0.874 175.239 176.094 0.031 0.000 1.181 322 V CA -0.801 61.480 62.300 -0.032 0.000 1.054 322 V CB 1.767 33.546 31.823 -0.073 0.000 1.085 322 V HN 0.621 nan 8.190 nan 0.000 0.446 323 V N 1.116 120.900 119.914 -0.217 0.000 2.711 323 V HA 0.614 4.733 4.120 -0.001 0.000 0.304 323 V C -1.750 174.184 176.094 -0.267 0.000 1.097 323 V CA -0.379 61.835 62.300 -0.143 0.000 0.906 323 V CB 1.929 33.697 31.823 -0.092 0.000 1.015 323 V HN 0.883 nan 8.190 nan 0.000 0.427 324 Y N 3.944 124.124 120.300 -0.200 0.000 2.320 324 Y HA 0.535 5.084 4.550 -0.001 0.000 0.334 324 Y C 0.688 176.474 175.900 -0.191 0.000 1.055 324 Y CA -0.302 57.596 58.100 -0.336 0.000 1.143 324 Y CB 1.441 39.568 38.460 -0.555 0.000 1.193 324 Y HN 0.553 nan 8.280 nan 0.000 0.477 325 E N 3.336 123.460 120.200 -0.127 0.000 2.109 325 E HA 0.220 4.570 4.350 -0.001 0.000 0.278 325 E C -1.602 174.849 176.600 -0.249 0.000 0.954 325 E CA -0.660 55.667 56.400 -0.121 0.000 0.779 325 E CB 0.897 30.570 29.700 -0.046 0.000 1.093 325 E HN 0.517 nan 8.360 nan 0.000 0.401 326 Y N 3.277 123.507 120.300 -0.117 0.000 2.331 326 Y HA 0.265 4.815 4.550 -0.001 0.000 0.338 326 Y C -2.121 173.690 175.900 -0.148 0.000 0.976 326 Y CA -2.863 55.188 58.100 -0.082 0.000 1.137 326 Y CB 0.926 39.360 38.460 -0.043 0.000 1.172 326 Y HN 0.401 nan 8.280 nan 0.000 0.478 327 P HA 0.178 nan 4.420 nan 0.000 0.268 327 P C -0.534 176.756 177.300 -0.016 0.000 1.205 327 P CA -0.118 62.925 63.100 -0.095 0.000 0.771 327 P CB 0.725 32.332 31.700 -0.155 0.000 0.858 328 R N 1.774 122.267 120.500 -0.011 0.000 2.604 328 R HA 0.467 4.806 4.340 -0.001 0.000 0.281 328 R C 0.615 176.937 176.300 0.037 0.000 1.020 328 R CA -0.835 55.278 56.100 0.023 0.000 0.899 328 R CB 1.851 32.173 30.300 0.037 0.000 1.205 328 R HN 0.409 nan 8.270 nan 0.000 0.450 329 A N 1.581 124.427 122.820 0.044 0.000 2.014 329 A HA -0.039 4.280 4.320 -0.001 0.000 0.218 329 A C 0.262 177.890 177.584 0.073 0.000 1.163 329 A CA 1.321 53.397 52.037 0.065 0.000 0.652 329 A CB 0.118 19.154 19.000 0.060 0.000 0.808 329 A HN 0.575 nan 8.150 nan 0.000 0.449 330 E N -2.529 117.705 120.200 0.057 0.000 2.288 330 E HA 0.596 4.945 4.350 -0.001 0.000 0.268 330 E C 0.041 176.668 176.600 0.046 0.000 0.885 330 E CA 0.540 56.971 56.400 0.052 0.000 0.767 330 E CB 2.002 31.724 29.700 0.037 0.000 1.220 330 E HN 0.665 nan 8.360 nan 0.000 0.427 331 G N 1.770 110.590 108.800 0.033 0.000 2.346 331 G HA2 -0.017 3.943 3.960 -0.001 0.000 0.294 331 G HA3 -0.017 3.943 3.960 -0.001 0.000 0.294 331 G C -1.416 173.453 174.900 -0.052 0.000 1.294 331 G CA -1.058 44.054 45.100 0.020 0.000 0.962 331 G HN 0.473 nan 8.290 nan 0.000 0.508 332 D N 1.907 122.235 120.400 -0.121 0.000 2.506 332 D HA 0.405 5.044 4.640 -0.001 0.000 0.234 332 D C -1.987 173.973 176.300 -0.566 0.000 1.143 332 D CA 0.099 53.904 54.000 -0.325 0.000 0.871 332 D CB 0.773 41.359 40.800 -0.357 0.000 1.190 332 D HN 0.196 nan 8.370 nan 0.000 0.459 333 P HA 0.127 nan 4.420 nan 0.000 0.276 333 P C -0.455 176.625 177.300 -0.368 0.000 1.243 333 P CA 0.180 63.082 63.100 -0.331 0.000 0.768 333 P CB 0.323 31.681 31.700 -0.570 0.000 0.856 334 Y N 0.777 121.185 120.300 0.179 0.000 2.572 334 Y HA 0.245 4.794 4.550 -0.001 0.000 0.274 334 Y C 0.166 176.013 175.900 -0.089 0.000 1.135 334 Y CA -0.143 57.996 58.100 0.065 0.000 1.230 334 Y CB 0.504 39.046 38.460 0.137 0.000 1.293 334 Y HN 0.202 nan 8.280 nan 0.000 0.501 335 Y N 1.216 121.637 120.300 0.201 0.000 2.350 335 Y HA 0.447 4.996 4.550 -0.001 0.000 0.338 335 Y C -2.652 173.267 175.900 0.031 0.000 0.961 335 Y CA -3.786 54.317 58.100 0.003 0.000 1.100 335 Y CB 0.989 39.343 38.460 -0.177 0.000 1.179 335 Y HN -0.190 nan 8.280 nan 0.000 0.454 336 P HA 0.076 nan 4.420 nan 0.000 0.270 336 P C -0.717 176.451 177.300 -0.221 0.000 1.223 336 P CA -0.182 62.526 63.100 -0.653 0.000 0.785 336 P CB 0.772 31.834 31.700 -1.064 0.000 0.923 337 V N 3.692 123.468 119.914 -0.230 0.000 2.239 337 V HA 0.216 4.335 4.120 -0.001 0.000 0.267 337 V C -2.194 173.839 176.094 -0.102 0.000 1.056 337 V CA -1.858 60.446 62.300 0.006 0.000 0.830 337 V CB 0.612 32.538 31.823 0.171 0.000 1.090 337 V HN 0.486 nan 8.190 nan 0.000 0.459 338 P HA 0.177 nan 4.420 nan 0.000 0.258 338 P C -0.186 177.052 177.300 -0.104 0.000 1.214 338 P CA 0.399 63.422 63.100 -0.129 0.000 0.872 338 P CB 0.012 31.639 31.700 -0.122 0.000 0.890 339 R N 2.627 123.116 120.500 -0.018 0.000 2.687 339 R HA 0.395 4.734 4.340 -0.001 0.000 0.265 339 R C -2.838 173.480 176.300 0.031 0.000 1.048 339 R CA -1.842 54.253 56.100 -0.009 0.000 0.884 339 R CB -0.071 30.221 30.300 -0.012 0.000 1.258 339 R HN -0.082 nan 8.270 nan 0.000 0.469 340 P HA -0.355 nan 4.420 nan 0.000 0.214 340 P C 0.917 178.242 177.300 0.042 0.000 1.164 340 P CA 2.275 65.391 63.100 0.028 0.000 0.942 340 P CB 0.012 31.722 31.700 0.016 0.000 0.791 341 E N -0.966 119.259 120.200 0.043 0.000 2.110 341 E HA -0.225 4.124 4.350 -0.001 0.000 0.193 341 E C 1.572 178.211 176.600 0.065 0.000 0.988 341 E CA 1.424 57.852 56.400 0.047 0.000 0.804 341 E CB -1.120 28.607 29.700 0.046 0.000 0.745 341 E HN 0.202 nan 8.360 nan 0.000 0.458 342 N N 1.867 120.619 118.700 0.087 0.000 2.120 342 N HA -0.083 4.656 4.740 -0.001 0.000 0.188 342 N C 1.890 177.472 175.510 0.121 0.000 1.024 342 N CA 1.792 54.908 53.050 0.110 0.000 0.852 342 N CB -0.578 38.020 38.487 0.185 0.000 1.003 342 N HN 0.378 nan 8.380 nan 0.000 0.424 343 A N 0.774 123.682 122.820 0.146 0.000 1.933 343 A HA -0.171 4.148 4.320 -0.001 0.000 0.218 343 A C 2.185 179.855 177.584 0.144 0.000 1.175 343 A CA 1.570 53.712 52.037 0.176 0.000 0.628 343 A CB -0.522 18.556 19.000 0.129 0.000 0.814 343 A HN 0.382 nan 8.150 nan 0.000 0.444 344 E N -0.352 119.893 120.200 0.075 0.000 2.015 344 E HA -0.128 4.222 4.350 -0.001 0.000 0.191 344 E C 1.976 178.571 176.600 -0.008 0.000 0.991 344 E CA 0.961 57.374 56.400 0.022 0.000 0.802 344 E CB -0.245 29.458 29.700 0.005 0.000 0.759 344 E HN 0.543 nan 8.360 nan 0.000 0.447 345 L N 0.393 121.629 121.223 0.021 0.000 2.021 345 L HA -0.268 4.072 4.340 -0.001 0.000 0.215 345 L C 2.496 179.410 176.870 0.074 0.000 1.074 345 L CA 1.913 56.773 54.840 0.033 0.000 0.760 345 L CB -0.424 41.696 42.059 0.102 0.000 0.889 345 L HN 0.387 nan 8.230 nan 0.000 0.433 346 Y N 0.811 121.081 120.300 -0.050 0.000 2.207 346 Y HA -0.328 4.222 4.550 -0.001 0.000 0.287 346 Y C 2.524 178.419 175.900 -0.008 0.000 1.156 346 Y CA 1.983 60.046 58.100 -0.062 0.000 1.182 346 Y CB -0.268 38.064 38.460 -0.213 0.000 0.979 346 Y HN 0.082 nan 8.280 nan 0.000 0.521 347 K N 0.317 120.599 120.400 -0.198 0.000 2.063 347 K HA -0.215 4.104 4.320 -0.001 0.000 0.208 347 K C 2.078 178.436 176.600 -0.403 0.000 1.048 347 K CA 1.977 58.081 56.287 -0.305 0.000 0.928 347 K CB -0.097 32.321 32.500 -0.137 0.000 0.713 347 K HN 0.349 nan 8.250 nan 0.000 0.442 348 K N -0.422 119.705 120.400 -0.456 0.000 2.032 348 K HA -0.201 4.118 4.320 -0.001 0.000 0.209 348 K C 2.101 178.273 176.600 -0.713 0.000 1.048 348 K CA 1.813 57.630 56.287 -0.782 0.000 0.927 348 K CB -0.277 31.446 32.500 -1.296 0.000 0.712 348 K HN 0.243 nan 8.250 nan 0.000 0.441 349 Y N 1.174 121.226 120.300 -0.414 0.000 2.263 349 Y HA -0.132 4.417 4.550 -0.001 0.000 0.292 349 Y C 2.465 178.119 175.900 -0.409 0.000 1.130 349 Y CA 1.051 59.001 58.100 -0.250 0.000 1.179 349 Y CB -0.040 38.398 38.460 -0.036 0.000 0.998 349 Y HN 0.178 nan 8.280 nan 0.000 0.532 350 E N 0.331 120.207 120.200 -0.541 0.000 2.204 350 E HA -0.212 4.137 4.350 -0.001 0.000 0.195 350 E C 2.194 178.616 176.600 -0.298 0.000 0.990 350 E CA 0.724 56.826 56.400 -0.498 0.000 0.821 350 E CB -0.074 29.237 29.700 -0.649 0.000 0.750 350 E HN 0.464 nan 8.360 nan 0.000 0.477 351 A N 1.102 123.733 122.820 -0.315 0.000 1.835 351 A HA -0.174 4.146 4.320 -0.001 0.000 0.215 351 A C 2.152 179.595 177.584 -0.235 0.000 1.199 351 A CA 1.283 53.170 52.037 -0.248 0.000 0.615 351 A CB -0.839 17.995 19.000 -0.277 0.000 0.838 351 A HN 0.291 nan 8.150 nan 0.000 0.444 352 L N -0.625 120.393 121.223 -0.341 0.000 2.079 352 L HA -0.240 4.100 4.340 -0.001 0.000 0.210 352 L C 3.074 179.801 176.870 -0.238 0.000 1.081 352 L CA 1.121 55.698 54.840 -0.439 0.000 0.752 352 L CB -0.844 40.572 42.059 -1.071 0.000 0.896 352 L HN 0.481 nan 8.230 nan 0.000 0.433 353 A N 0.075 122.770 122.820 -0.209 0.000 1.917 353 A HA -0.257 4.062 4.320 -0.001 0.000 0.219 353 A C 1.993 179.527 177.584 -0.084 0.000 1.182 353 A CA 2.125 54.025 52.037 -0.227 0.000 0.633 353 A CB -0.518 18.229 19.000 -0.421 0.000 0.819 353 A HN 0.392 nan 8.150 nan 0.000 0.448 354 D N -0.102 120.250 120.400 -0.081 0.000 2.117 354 D HA -0.048 4.591 4.640 -0.001 0.000 0.197 354 D C 2.325 178.628 176.300 0.006 0.000 0.987 354 D CA 1.411 55.396 54.000 -0.025 0.000 0.829 354 D CB -0.438 40.334 40.800 -0.047 0.000 0.961 354 D HN 0.420 nan 8.370 nan 0.000 0.460 355 A N 1.905 124.716 122.820 -0.014 0.000 1.842 355 A HA -0.013 4.306 4.320 -0.001 0.000 0.217 355 A C 1.419 179.048 177.584 0.074 0.000 1.206 355 A CA 1.455 53.501 52.037 0.015 0.000 0.630 355 A CB -1.193 17.800 19.000 -0.012 0.000 0.839 355 A HN 0.275 nan 8.150 nan 0.000 0.447 356 A N -0.124 122.776 122.820 0.132 0.000 2.602 356 A HA 0.029 4.349 4.320 -0.001 0.000 0.257 356 A C 1.090 178.770 177.584 0.161 0.000 0.973 356 A CA 0.987 53.146 52.037 0.204 0.000 0.862 356 A CB -0.106 19.082 19.000 0.313 0.000 0.855 356 A HN 0.663 nan 8.150 nan 0.000 0.492 357 Q N 1.956 121.844 119.800 0.145 0.000 2.200 357 Q HA -0.041 4.298 4.340 -0.001 0.000 0.197 357 Q C 0.144 176.215 176.000 0.119 0.000 0.953 357 Q CA 1.471 57.342 55.803 0.114 0.000 0.851 357 Q CB 0.033 28.824 28.738 0.088 0.000 0.938 357 Q HN 0.927 nan 8.270 nan 0.000 0.488 358 D N 0.622 121.104 120.400 0.136 0.000 2.342 358 D HA 0.119 4.758 4.640 -0.001 0.000 0.221 358 D C -0.487 175.917 176.300 0.174 0.000 1.101 358 D CA 0.075 54.165 54.000 0.151 0.000 0.837 358 D CB 0.761 41.647 40.800 0.143 0.000 0.938 358 D HN -0.093 nan 8.370 nan 0.000 0.508 359 V N 0.578 120.586 119.914 0.157 0.000 2.483 359 V HA 0.385 4.504 4.120 -0.001 0.000 0.295 359 V C 0.368 176.497 176.094 0.059 0.000 1.035 359 V CA -0.536 61.822 62.300 0.095 0.000 0.896 359 V CB 1.990 33.876 31.823 0.105 0.000 0.986 359 V HN -0.048 nan 8.190 nan 0.000 0.447 360 T N 5.452 119.969 114.554 -0.062 0.000 2.788 360 T HA 0.531 4.880 4.350 -0.001 0.000 0.296 360 T C -0.623 174.017 174.700 -0.100 0.000 1.009 360 T CA -0.007 62.080 62.100 -0.022 0.000 0.949 360 T CB 0.128 68.955 68.868 -0.068 0.000 0.946 360 T HN 0.331 nan 8.240 nan 0.000 0.453 361 F N 4.131 124.073 119.950 -0.014 0.000 2.390 361 F HA 0.530 5.056 4.527 -0.001 0.000 0.361 361 F C 0.582 176.414 175.800 0.052 0.000 1.124 361 F CA -0.500 57.510 58.000 0.018 0.000 1.149 361 F CB 0.891 39.907 39.000 0.026 0.000 1.160 361 F HN 0.298 nan 8.300 nan 0.000 0.501 362 V N 1.550 121.545 119.914 0.135 0.000 3.160 362 V HA 1.053 5.173 4.120 -0.001 0.000 0.310 362 V C -0.176 175.992 176.094 0.124 0.000 1.181 362 V CA -0.186 62.194 62.300 0.134 0.000 1.047 362 V CB 1.342 33.211 31.823 0.077 0.000 1.068 362 V HN 1.190 nan 8.190 nan 0.000 0.441 363 G N 1.758 110.663 108.800 0.174 0.000 2.655 363 G HA2 -0.132 3.827 3.960 -0.001 0.000 0.680 363 G HA3 -0.132 3.827 3.960 -0.001 0.000 0.680 363 G C 0.163 175.177 174.900 0.189 0.000 1.302 363 G CA 0.348 45.558 45.100 0.183 0.000 0.872 363 G HN 1.201 nan 8.290 nan 0.000 0.540 364 R N -0.627 119.981 120.500 0.180 0.000 2.073 364 R HA 0.024 4.363 4.340 -0.001 0.000 0.234 364 R C 2.566 178.933 176.300 0.112 0.000 1.134 364 R CA 2.035 58.202 56.100 0.112 0.000 0.952 364 R CB -0.344 30.038 30.300 0.136 0.000 0.850 364 R HN 0.539 nan 8.270 nan 0.000 0.433 365 L N -0.657 120.653 121.223 0.145 0.000 2.131 365 L HA 0.034 4.373 4.340 -0.001 0.000 0.206 365 L C 2.530 179.586 176.870 0.310 0.000 1.087 365 L CA 0.889 55.871 54.840 0.236 0.000 0.767 365 L CB -0.349 41.735 42.059 0.040 0.000 0.917 365 L HN 0.224 nan 8.230 nan 0.000 0.441 366 A N -0.132 122.828 122.820 0.233 0.000 2.067 366 A HA -0.100 4.219 4.320 -0.001 0.000 0.217 366 A C 2.117 179.945 177.584 0.408 0.000 1.156 366 A CA 1.724 53.987 52.037 0.375 0.000 0.683 366 A CB -0.524 18.674 19.000 0.330 0.000 0.808 366 A HN 0.477 nan 8.150 nan 0.000 0.455 367 T N -7.584 107.139 114.554 0.281 0.000 3.040 367 T HA 0.186 4.536 4.350 -0.001 0.000 0.266 367 T C 0.335 175.004 174.700 -0.051 0.000 1.005 367 T CA 0.241 62.482 62.100 0.235 0.000 0.906 367 T CB -0.322 68.659 68.868 0.188 0.000 1.082 367 T HN 0.661 nan 8.240 nan 0.000 0.531 368 Y N 2.316 122.495 120.300 -0.201 0.000 3.234 368 Y HA -0.249 4.301 4.550 -0.001 0.000 0.207 368 Y C -0.369 175.296 175.900 -0.392 0.000 1.316 368 Y CA -0.119 57.751 58.100 -0.384 0.000 1.309 368 Y CB -1.889 36.052 38.460 -0.865 0.000 1.408 368 Y HN 0.449 nan 8.280 nan 0.000 0.544 369 R N 0.780 121.048 120.500 -0.386 0.000 2.534 369 R HA 0.298 4.637 4.340 -0.001 0.000 0.301 369 R C -0.831 175.221 176.300 -0.414 0.000 0.961 369 R CA -1.168 54.608 56.100 -0.540 0.000 0.871 369 R CB 1.034 30.729 30.300 -1.008 0.000 1.170 369 R HN 0.136 nan 8.270 nan 0.000 0.446 370 Y N 4.049 124.165 120.300 -0.307 0.000 2.518 370 Y HA 0.055 4.604 4.550 -0.001 0.000 0.337 370 Y C -0.969 174.991 175.900 0.101 0.000 1.261 370 Y CA -0.419 57.655 58.100 -0.043 0.000 1.856 370 Y CB -0.407 38.093 38.460 0.068 0.000 1.798 370 Y HN 0.366 nan 8.280 nan 0.000 0.440 371 Y N 2.018 122.504 120.300 0.309 0.000 2.361 371 Y HA 0.298 4.847 4.550 -0.001 0.000 0.332 371 Y C 0.579 176.603 175.900 0.206 0.000 1.101 371 Y CA -1.702 56.518 58.100 0.199 0.000 1.137 371 Y CB 0.767 39.302 38.460 0.125 0.000 1.207 371 Y HN 0.348 nan 8.280 nan 0.000 0.463 372 N N 2.195 121.076 118.700 0.301 0.000 2.445 372 N HA 0.209 4.948 4.740 -0.001 0.000 0.264 372 N C 1.221 176.774 175.510 0.071 0.000 1.227 372 N CA -0.255 52.902 53.050 0.179 0.000 0.963 372 N CB 0.658 39.193 38.487 0.079 0.000 1.188 372 N HN 0.670 nan 8.380 nan 0.000 0.491 373 M N 0.443 120.068 119.600 0.042 0.000 2.110 373 M HA -0.268 4.211 4.480 -0.001 0.000 0.257 373 M C 1.377 177.558 176.300 -0.198 0.000 1.071 373 M CA 1.963 57.183 55.300 -0.133 0.000 1.096 373 M CB -0.505 32.024 32.600 -0.119 0.000 1.300 373 M HN 0.582 nan 8.290 nan 0.000 0.411 374 D N -0.033 120.298 120.400 -0.115 0.000 2.158 374 D HA -0.236 4.403 4.640 -0.001 0.000 0.197 374 D C 1.712 177.925 176.300 -0.146 0.000 0.995 374 D CA 1.737 55.690 54.000 -0.079 0.000 0.846 374 D CB -0.857 39.781 40.800 -0.270 0.000 0.941 374 D HN 0.538 nan 8.370 nan 0.000 0.456 375 Q N 0.076 119.753 119.800 -0.204 0.000 2.084 375 Q HA -0.071 4.269 4.340 -0.001 0.000 0.202 375 Q C 2.584 178.386 176.000 -0.331 0.000 0.978 375 Q CA 1.258 56.865 55.803 -0.326 0.000 0.844 375 Q CB -0.087 28.383 28.738 -0.447 0.000 0.898 375 Q HN 0.251 nan 8.270 nan 0.000 0.426 376 V N 0.433 120.252 119.914 -0.158 0.000 2.358 376 V HA -0.213 3.906 4.120 -0.001 0.000 0.246 376 V C 2.283 178.376 176.094 -0.002 0.000 1.047 376 V CA 1.276 63.573 62.300 -0.005 0.000 1.035 376 V CB -0.360 31.545 31.823 0.137 0.000 0.658 376 V HN 0.181 nan 8.190 nan 0.000 0.452 377 V N 0.337 120.227 119.914 -0.040 0.000 2.324 377 V HA -0.308 3.811 4.120 -0.001 0.000 0.250 377 V C 2.619 178.673 176.094 -0.068 0.000 1.060 377 V CA 2.172 64.471 62.300 -0.000 0.000 1.042 377 V CB -1.162 30.676 31.823 0.025 0.000 0.650 377 V HN 0.577 nan 8.190 nan 0.000 0.450 378 A N -0.716 122.043 122.820 -0.102 0.000 1.832 378 A HA -0.290 4.030 4.320 -0.001 0.000 0.214 378 A C 2.257 179.786 177.584 -0.092 0.000 1.200 378 A CA 1.879 53.845 52.037 -0.117 0.000 0.610 378 A CB -0.792 18.127 19.000 -0.134 0.000 0.842 378 A HN 0.542 nan 8.150 nan 0.000 0.444 379 Q N -0.443 119.296 119.800 -0.102 0.000 2.268 379 Q HA -0.292 4.047 4.340 -0.001 0.000 0.213 379 Q C 2.044 178.053 176.000 0.016 0.000 0.995 379 Q CA 2.193 57.981 55.803 -0.026 0.000 0.901 379 Q CB -0.357 28.403 28.738 0.038 0.000 0.921 379 Q HN 0.636 nan 8.270 nan 0.000 0.421 380 A N 0.792 123.617 122.820 0.008 0.000 1.840 380 A HA 0.022 4.342 4.320 -0.001 0.000 0.214 380 A C 1.357 178.930 177.584 -0.017 0.000 1.198 380 A CA 0.619 52.663 52.037 0.011 0.000 0.608 380 A CB -0.622 18.392 19.000 0.024 0.000 0.839 380 A HN 0.372 nan 8.150 nan 0.000 0.443 381 L N 0.000 121.187 121.223 -0.059 0.000 2.949 381 L HA 0.000 4.339 4.340 -0.001 0.000 0.249 381 L CA 0.000 54.793 54.840 -0.079 0.000 0.813 381 L CB 0.000 41.959 42.059 -0.167 0.000 0.961 381 L HN 0.000 nan 8.230 nan 0.000 0.502