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 2o4m_1_P DATA FIRST_RESID 34 DATA SEQUENCE GDRINTVRGP ITISEAGFTL THEHICGSSA GFLRAWPEFF GSRKALAEKA DATA SEQUENCE VRGLRRARAA GVRTIVDVST FDGGRDVSLL AEVSRAADVH IVAATGLWGD DATA SEQUENCE PPLSMRLRSV EELTQFFLRE IQYGIEDTGI RAGIIXVATT GKATPFQELV DATA SEQUENCE LKAAARASLA TGVPVTTHTA ASQRDGEQQA AIFESEGLSP SRVCIGHSDD DATA SEQUENCE TDDLSYLTAL AARGYLIGLD HIPYSAIGLE DNASASALLG IRSWQTRALL DATA SEQUENCE IKALIDQGYM KQILVSNDWL FGFSSYVTNI MDVMDRVNPD GMAFIPLRVI DATA SEQUENCE PFLREKGVPQ ETLAGITVTN PARFLSPTLR A 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 34 G HA2 0.000 nan 3.960 nan 0.000 0.244 34 G HA3 0.000 3.960 3.960 -0.000 0.000 0.244 34 G C 0.000 174.875 174.900 -0.041 0.000 0.946 34 G CA 0.000 45.073 45.100 -0.045 0.000 0.502 35 D N -0.628 119.748 120.400 -0.040 0.000 2.525 35 D HA 0.153 4.792 4.640 -0.000 0.000 0.231 35 D C 0.327 176.601 176.300 -0.042 0.000 1.216 35 D CA -0.139 53.839 54.000 -0.037 0.000 0.813 35 D CB 0.844 41.626 40.800 -0.030 0.000 1.108 35 D HN 0.147 nan 8.370 nan 0.000 0.524 36 R N 0.575 121.046 120.500 -0.049 0.000 2.750 36 R HA 0.590 4.930 4.340 -0.000 0.000 0.281 36 R C -0.508 175.753 176.300 -0.066 0.000 0.972 36 R CA -0.709 55.357 56.100 -0.056 0.000 0.912 36 R CB 1.999 32.267 30.300 -0.052 0.000 1.187 36 R HN 0.062 nan 8.270 nan 0.000 0.464 37 I N 1.841 122.366 120.570 -0.076 0.000 2.378 37 I HA 0.304 4.474 4.170 -0.000 0.000 0.291 37 I C 0.014 176.083 176.117 -0.080 0.000 0.992 37 I CA -0.593 60.659 61.300 -0.081 0.000 1.154 37 I CB 1.599 39.549 38.000 -0.084 0.000 1.315 37 I HN 0.339 nan 8.210 nan 0.000 0.448 38 N N 4.112 122.769 118.700 -0.072 0.000 2.458 38 N HA 0.284 5.024 4.740 -0.000 0.000 0.270 38 N C -0.108 175.371 175.510 -0.052 0.000 1.102 38 N CA -0.208 52.806 53.050 -0.060 0.000 0.967 38 N CB 1.081 39.534 38.487 -0.056 0.000 1.078 38 N HN 0.659 nan 8.380 nan 0.000 0.471 39 T N -2.303 112.227 114.554 -0.040 0.000 2.870 39 T HA 0.260 4.609 4.350 -0.000 0.000 0.277 39 T C 1.263 175.963 174.700 -0.001 0.000 1.000 39 T CA -0.839 61.254 62.100 -0.013 0.000 0.982 39 T CB 0.802 69.674 68.868 0.006 0.000 1.249 39 T HN 0.156 nan 8.240 nan 0.000 0.589 40 V N -1.218 118.707 119.914 0.018 0.000 3.461 40 V HA 0.292 4.412 4.120 -0.000 0.000 0.267 40 V C 1.893 177.998 176.094 0.019 0.000 1.186 40 V CA 0.487 62.797 62.300 0.016 0.000 1.154 40 V CB -1.218 30.619 31.823 0.023 0.000 0.802 40 V HN 0.795 nan 8.190 nan 0.000 0.474 41 R N 0.872 121.389 120.500 0.029 0.000 2.334 41 R HA 0.549 4.888 4.340 -0.000 0.000 0.212 41 R C 1.012 177.319 176.300 0.011 0.000 0.897 41 R CA 0.573 56.690 56.100 0.028 0.000 1.056 41 R CB 0.759 31.092 30.300 0.055 0.000 1.046 41 R HN 0.703 nan 8.270 nan 0.000 0.513 42 G N 1.208 110.006 108.800 -0.003 0.000 2.331 42 G HA2 -0.136 3.824 3.960 -0.000 0.000 0.479 42 G HA3 -0.136 3.824 3.960 -0.000 0.000 0.479 42 G C -3.026 171.853 174.900 -0.034 0.000 1.262 42 G CA -1.296 43.792 45.100 -0.020 0.000 1.029 42 G HN -0.149 nan 8.290 nan 0.000 0.487 43 P HA 0.533 nan 4.420 nan 0.000 0.275 43 P C 0.042 177.297 177.300 -0.075 0.000 1.227 43 P CA -0.157 62.909 63.100 -0.057 0.000 0.781 43 P CB 0.759 32.430 31.700 -0.049 0.000 0.906 44 I N -1.088 119.417 120.570 -0.110 0.000 2.846 44 I HA 0.644 4.814 4.170 -0.000 0.000 0.307 44 I C 0.104 176.156 176.117 -0.108 0.000 1.053 44 I CA -1.037 60.176 61.300 -0.144 0.000 1.050 44 I CB 2.242 40.058 38.000 -0.306 0.000 1.239 44 I HN 0.237 nan 8.210 nan 0.000 0.439 45 T N 1.167 115.669 114.554 -0.088 0.000 2.898 45 T HA 0.229 4.578 4.350 -0.000 0.000 0.301 45 T C 1.122 175.784 174.700 -0.064 0.000 1.049 45 T CA -0.416 61.646 62.100 -0.062 0.000 1.095 45 T CB 1.039 69.883 68.868 -0.039 0.000 0.976 45 T HN 0.517 nan 8.240 nan 0.000 0.539 46 I N 2.542 123.084 120.570 -0.046 0.000 2.113 46 I HA -0.247 3.923 4.170 -0.000 0.000 0.242 46 I C 2.947 179.052 176.117 -0.020 0.000 1.064 46 I CA 2.254 63.534 61.300 -0.033 0.000 1.320 46 I CB -1.399 36.586 38.000 -0.024 0.000 1.028 46 I HN 0.942 nan 8.210 nan 0.000 0.406 47 S N -0.117 115.575 115.700 -0.013 0.000 2.383 47 S HA -0.263 4.207 4.470 -0.000 0.000 0.229 47 S C 1.919 176.527 174.600 0.013 0.000 1.030 47 S CA 1.389 59.591 58.200 0.002 0.000 1.002 47 S CB -0.587 62.616 63.200 0.004 0.000 0.829 47 S HN 0.498 nan 8.310 nan 0.000 0.467 48 E N 2.148 122.343 120.200 -0.008 0.000 2.268 48 E HA 0.123 4.473 4.350 -0.000 0.000 0.195 48 E C 1.875 178.489 176.600 0.023 0.000 0.995 48 E CA 0.947 57.349 56.400 0.003 0.000 0.836 48 E CB -0.692 28.964 29.700 -0.074 0.000 0.763 48 E HN 0.578 nan 8.360 nan 0.000 0.491 49 A N 0.217 123.031 122.820 -0.009 0.000 1.898 49 A HA 0.231 4.550 4.320 -0.000 0.000 0.216 49 A C 1.705 179.368 177.584 0.132 0.000 1.181 49 A CA 1.459 53.518 52.037 0.037 0.000 0.620 49 A CB -1.235 17.770 19.000 0.007 0.000 0.819 49 A HN 0.499 nan 8.150 nan 0.000 0.442 50 G N -1.398 107.462 108.800 0.100 0.000 2.575 50 G HA2 -0.230 3.729 3.960 -0.000 0.000 0.267 50 G HA3 -0.230 3.729 3.960 -0.000 0.000 0.267 50 G C 0.021 175.010 174.900 0.149 0.000 1.264 50 G CA 0.002 45.177 45.100 0.126 0.000 0.935 50 G HN 1.168 nan 8.290 nan 0.000 0.568 51 F N 2.345 122.324 119.950 0.049 0.000 2.569 51 F HA 0.444 4.970 4.527 -0.002 0.000 0.395 51 F C 0.952 176.785 175.800 0.055 0.000 1.028 51 F CA 1.118 59.144 58.000 0.043 0.000 1.158 51 F CB 0.228 39.247 39.000 0.031 0.000 1.023 51 F HN 0.473 nan 8.300 nan 0.000 0.547 52 T N 7.909 122.506 114.554 0.071 0.000 2.879 52 T HA 0.455 4.805 4.350 -0.000 0.000 0.290 52 T C -0.485 174.290 174.700 0.126 0.000 0.993 52 T CA -0.640 61.549 62.100 0.148 0.000 0.975 52 T CB 1.024 69.936 68.868 0.074 0.000 0.981 52 T HN 0.379 nan 8.240 nan 0.000 0.439 53 L N 3.464 124.811 121.223 0.207 0.000 2.265 53 L HA 0.355 4.695 4.340 -0.000 0.000 0.288 53 L C 1.666 178.607 176.870 0.118 0.000 1.058 53 L CA -0.545 54.400 54.840 0.175 0.000 0.809 53 L CB 1.012 43.194 42.059 0.205 0.000 1.179 53 L HN 0.831 nan 8.230 nan 0.000 0.429 54 T N -2.241 112.372 114.554 0.097 0.000 3.086 54 T HA 0.032 4.382 4.350 -0.000 0.000 0.250 54 T C 0.369 175.130 174.700 0.101 0.000 1.074 54 T CA 0.175 62.328 62.100 0.089 0.000 0.988 54 T CB -0.277 68.624 68.868 0.054 0.000 0.988 54 T HN 0.619 nan 8.240 nan 0.000 0.530 55 H N 0.557 119.622 119.070 -0.007 0.000 3.162 55 H HA 0.472 5.027 4.556 -0.001 0.000 0.309 55 H C -1.206 174.076 175.328 -0.077 0.000 1.156 55 H CA -0.495 55.516 56.048 -0.062 0.000 1.586 55 H CB 0.587 30.325 29.762 -0.040 0.000 1.740 55 H HN 0.011 nan 8.280 nan 0.000 0.525 56 E N 2.322 122.448 120.200 -0.123 0.000 2.445 56 E HA 0.366 4.716 4.350 -0.000 0.000 0.273 56 E C -0.910 175.395 176.600 -0.492 0.000 0.961 56 E CA -0.871 55.469 56.400 -0.100 0.000 0.807 56 E CB 1.983 31.689 29.700 0.011 0.000 1.362 56 E HN 0.601 nan 8.360 nan 0.000 0.453 57 H N 0.840 119.843 119.070 -0.112 0.000 2.771 57 H HA 0.302 4.858 4.556 -0.000 0.000 0.361 57 H C 1.026 176.268 175.328 -0.144 0.000 1.108 57 H CA -0.543 55.400 56.048 -0.174 0.000 1.201 57 H CB 1.787 31.376 29.762 -0.288 0.000 1.681 57 H HN 0.277 nan 8.280 nan 0.000 0.534 58 I N 0.627 121.236 120.570 0.065 0.000 2.163 58 I HA -0.133 4.037 4.170 -0.000 0.000 0.240 58 I C 1.224 177.389 176.117 0.080 0.000 1.081 58 I CA 1.263 62.663 61.300 0.167 0.000 1.353 58 I CB -0.073 38.021 38.000 0.157 0.000 1.054 58 I HN 0.354 nan 8.210 nan 0.000 0.407 59 C N 1.202 120.496 119.300 -0.010 0.000 2.599 59 C HA 0.684 5.144 4.460 -0.000 0.000 0.354 59 C C 0.472 175.386 174.990 -0.126 0.000 1.092 59 C CA -0.704 58.264 59.018 -0.083 0.000 1.280 59 C CB 0.264 27.905 27.740 -0.164 0.000 1.829 59 C HN 0.532 nan 8.230 nan 0.000 0.454 60 G N 4.247 112.922 108.800 -0.209 0.000 2.391 60 G HA2 0.511 4.471 3.960 -0.000 0.000 0.305 60 G HA3 0.511 4.471 3.960 -0.000 0.000 0.305 60 G C -0.011 174.881 174.900 -0.014 0.000 1.072 60 G CA 0.344 45.248 45.100 -0.327 0.000 1.016 60 G HN 0.972 nan 8.290 nan 0.000 0.418 61 S N 1.051 116.706 115.700 -0.076 0.000 3.144 61 S HA 0.832 5.301 4.470 -0.000 0.000 0.325 61 S C -0.182 174.384 174.600 -0.056 0.000 1.161 61 S CA -0.466 57.725 58.200 -0.014 0.000 0.920 61 S CB 1.264 64.547 63.200 0.138 0.000 1.340 61 S HN 0.557 nan 8.310 nan 0.000 0.681 62 S N 0.631 116.306 115.700 -0.042 0.000 2.599 62 S HA 0.777 5.247 4.470 -0.000 0.000 0.294 62 S C -0.628 173.973 174.600 0.002 0.000 1.094 62 S CA -0.361 57.832 58.200 -0.011 0.000 0.931 62 S CB 1.487 64.674 63.200 -0.021 0.000 1.093 62 S HN 1.032 nan 8.310 nan 0.000 0.488 63 A N 0.672 123.395 122.820 -0.162 0.000 2.546 63 A HA 0.487 4.806 4.320 -0.000 0.000 0.243 63 A C 1.518 179.083 177.584 -0.031 0.000 1.063 63 A CA 0.657 52.520 52.037 -0.291 0.000 0.757 63 A CB -1.253 17.229 19.000 -0.863 0.000 0.991 63 A HN 1.989 nan 8.150 nan 0.000 0.503 64 G N 1.402 110.226 108.800 0.040 0.000 2.253 64 G HA2 -0.363 3.596 3.960 -0.000 0.000 0.251 64 G HA3 -0.363 3.596 3.960 -0.000 0.000 0.251 64 G C 0.889 175.887 174.900 0.162 0.000 0.998 64 G CA 0.960 46.120 45.100 0.100 0.000 0.621 64 G HN 1.244 nan 8.290 nan 0.000 0.524 65 F N 0.821 120.815 119.950 0.072 0.000 2.146 65 F HA 0.208 4.735 4.527 -0.001 0.000 0.298 65 F C 2.430 178.369 175.800 0.232 0.000 1.096 65 F CA 2.092 60.176 58.000 0.140 0.000 1.275 65 F CB -0.164 38.895 39.000 0.098 0.000 1.008 65 F HN 0.220 nan 8.300 nan 0.000 0.480 66 L N 0.989 122.455 121.223 0.405 0.000 2.042 66 L HA -0.185 4.155 4.340 -0.000 0.000 0.210 66 L C 2.392 179.359 176.870 0.162 0.000 1.076 66 L CA 1.700 56.722 54.840 0.303 0.000 0.749 66 L CB -0.829 41.308 42.059 0.130 0.000 0.893 66 L HN 0.009 nan 8.230 nan 0.000 0.432 67 R N -0.334 120.236 120.500 0.117 0.000 2.092 67 R HA 0.016 4.356 4.340 -0.000 0.000 0.231 67 R C 2.096 178.433 176.300 0.062 0.000 1.119 67 R CA 1.357 57.507 56.100 0.083 0.000 0.970 67 R CB -1.070 29.275 30.300 0.075 0.000 0.864 67 R HN 0.521 nan 8.270 nan 0.000 0.440 68 A N -1.223 121.616 122.820 0.031 0.000 1.984 68 A HA -0.039 4.281 4.320 -0.000 0.000 0.214 68 A C 0.591 178.178 177.584 0.004 0.000 1.173 68 A CA 0.361 52.393 52.037 -0.010 0.000 0.673 68 A CB 0.006 18.984 19.000 -0.038 0.000 0.830 68 A HN 0.397 nan 8.150 nan 0.000 0.453 69 W N 1.167 122.282 121.300 -0.307 0.000 1.402 69 W HA 0.389 5.049 4.660 -0.000 0.000 0.300 69 W C -2.577 173.885 176.519 -0.095 0.000 0.853 69 W CA -2.243 54.904 57.345 -0.330 0.000 2.057 69 W CB 1.091 30.120 29.460 -0.718 0.000 2.087 69 W HN 0.164 nan 8.180 nan 0.000 0.466 70 P HA -0.133 nan 4.420 nan 0.000 0.229 70 P C 0.746 178.230 177.300 0.306 0.000 1.160 70 P CA 1.449 64.751 63.100 0.337 0.000 0.777 70 P CB 0.518 32.354 31.700 0.227 0.000 0.814 71 E N -0.876 119.482 120.200 0.264 0.000 2.338 71 E HA -0.100 4.250 4.350 -0.000 0.000 0.197 71 E C 1.539 178.133 176.600 -0.010 0.000 1.007 71 E CA 0.460 56.967 56.400 0.179 0.000 0.849 71 E CB -1.167 28.687 29.700 0.256 0.000 0.774 71 E HN 0.224 nan 8.360 nan 0.000 0.506 72 F N -0.033 119.642 119.950 -0.458 0.000 2.154 72 F HA -0.177 4.350 4.527 -0.001 0.000 0.301 72 F C 0.904 176.361 175.800 -0.573 0.000 1.087 72 F CA 1.215 58.723 58.000 -0.819 0.000 1.274 72 F CB 0.051 38.271 39.000 -1.300 0.000 1.009 72 F HN -0.021 nan 8.300 nan 0.000 0.485 73 F N 0.077 120.030 119.950 0.005 0.000 2.660 73 F HA 0.378 4.905 4.527 -0.000 0.000 0.297 73 F C 1.609 177.393 175.800 -0.026 0.000 1.132 73 F CA 0.369 58.368 58.000 -0.002 0.000 1.372 73 F CB 0.019 39.093 39.000 0.124 0.000 1.003 73 F HN 0.173 nan 8.300 nan 0.000 0.524 74 G N 0.631 109.461 108.800 0.048 0.000 4.655 74 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.220 74 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.220 74 G C 0.336 175.295 174.900 0.098 0.000 1.403 74 G CA 0.265 45.396 45.100 0.051 0.000 0.931 74 G HN 0.877 nan 8.290 nan 0.000 0.654 75 S N -1.406 114.376 115.700 0.136 0.000 2.611 75 S HA 0.673 5.142 4.470 -0.000 0.000 0.268 75 S C 0.394 175.077 174.600 0.139 0.000 1.156 75 S CA 0.621 58.903 58.200 0.136 0.000 0.817 75 S CB 1.624 64.877 63.200 0.088 0.000 1.122 75 S HN 0.977 nan 8.310 nan 0.000 0.466 76 R N 1.060 121.630 120.500 0.117 0.000 2.091 76 R HA -0.066 4.274 4.340 -0.000 0.000 0.238 76 R C 2.087 178.411 176.300 0.038 0.000 1.136 76 R CA 1.871 58.012 56.100 0.070 0.000 0.959 76 R CB -0.420 29.916 30.300 0.059 0.000 0.856 76 R HN 0.755 nan 8.270 nan 0.000 0.437 77 K N -0.205 120.220 120.400 0.041 0.000 2.097 77 K HA -0.083 4.237 4.320 -0.000 0.000 0.205 77 K C 1.886 178.496 176.600 0.017 0.000 1.050 77 K CA 1.257 57.557 56.287 0.022 0.000 0.938 77 K CB -0.112 32.402 32.500 0.022 0.000 0.718 77 K HN 0.261 nan 8.250 nan 0.000 0.442 78 A N 1.293 124.135 122.820 0.036 0.000 1.902 78 A HA -0.139 4.181 4.320 -0.000 0.000 0.217 78 A C 2.036 179.639 177.584 0.032 0.000 1.181 78 A CA 1.327 53.386 52.037 0.036 0.000 0.623 78 A CB -0.576 18.458 19.000 0.057 0.000 0.818 78 A HN 0.403 nan 8.150 nan 0.000 0.443 79 L N -0.315 120.935 121.223 0.045 0.000 2.056 79 L HA -0.003 4.336 4.340 -0.000 0.000 0.207 79 L C 2.597 179.449 176.870 -0.030 0.000 1.078 79 L CA 2.146 56.999 54.840 0.022 0.000 0.749 79 L CB -0.724 41.315 42.059 -0.033 0.000 0.901 79 L HN 0.318 nan 8.230 nan 0.000 0.433 80 A N -0.594 122.204 122.820 -0.036 0.000 1.877 80 A HA -0.231 4.088 4.320 -0.000 0.000 0.216 80 A C 2.175 179.705 177.584 -0.090 0.000 1.186 80 A CA 1.859 53.860 52.037 -0.059 0.000 0.620 80 A CB -0.704 18.275 19.000 -0.036 0.000 0.822 80 A HN 0.606 nan 8.150 nan 0.000 0.443 81 E N -0.534 119.628 120.200 -0.063 0.000 2.085 81 E HA -0.223 4.127 4.350 -0.000 0.000 0.194 81 E C 2.120 178.649 176.600 -0.118 0.000 0.994 81 E CA 1.460 57.816 56.400 -0.073 0.000 0.801 81 E CB -0.131 29.546 29.700 -0.038 0.000 0.743 81 E HN 0.660 nan 8.360 nan 0.000 0.453 82 K N 0.691 121.024 120.400 -0.112 0.000 2.026 82 K HA -0.139 4.181 4.320 -0.000 0.000 0.208 82 K C 2.167 178.486 176.600 -0.467 0.000 1.048 82 K CA 1.147 57.345 56.287 -0.149 0.000 0.929 82 K CB -0.109 32.385 32.500 -0.011 0.000 0.713 82 K HN 0.083 nan 8.250 nan 0.000 0.439 83 A N 0.696 123.168 122.820 -0.581 0.000 1.908 83 A HA -0.126 4.194 4.320 -0.000 0.000 0.218 83 A C 2.218 179.364 177.584 -0.730 0.000 1.181 83 A CA 1.771 53.127 52.037 -1.134 0.000 0.627 83 A CB -0.683 18.056 19.000 -0.434 0.000 0.818 83 A HN 0.190 nan 8.150 nan 0.000 0.445 84 V N -0.052 119.647 119.914 -0.359 0.000 2.515 84 V HA -0.243 3.877 4.120 -0.000 0.000 0.250 84 V C 2.610 178.585 176.094 -0.198 0.000 1.058 84 V CA 2.077 64.244 62.300 -0.222 0.000 1.064 84 V CB -0.847 30.898 31.823 -0.131 0.000 0.675 84 V HN 0.506 nan 8.190 nan 0.000 0.461 85 R N 0.208 120.583 120.500 -0.209 0.000 2.066 85 R HA -0.082 4.257 4.340 -0.000 0.000 0.232 85 R C 2.540 178.765 176.300 -0.125 0.000 1.131 85 R CA 1.516 57.537 56.100 -0.131 0.000 0.955 85 R CB -0.893 29.350 30.300 -0.094 0.000 0.851 85 R HN 0.572 nan 8.270 nan 0.000 0.432 86 G N 1.238 109.899 108.800 -0.232 0.000 2.421 86 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.216 86 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.216 86 G C 1.471 176.399 174.900 0.047 0.000 1.171 86 G CA 0.492 45.584 45.100 -0.012 0.000 0.775 86 G HN 0.119 nan 8.290 nan 0.000 0.543 87 L N -0.315 120.869 121.223 -0.066 0.000 2.093 87 L HA -0.011 4.329 4.340 -0.000 0.000 0.208 87 L C 3.180 180.041 176.870 -0.015 0.000 1.085 87 L CA 0.803 55.656 54.840 0.023 0.000 0.755 87 L CB -0.297 41.752 42.059 -0.015 0.000 0.904 87 L HN 0.151 nan 8.230 nan 0.000 0.435 88 R N -0.203 120.266 120.500 -0.051 0.000 2.105 88 R HA -0.155 4.185 4.340 -0.000 0.000 0.239 88 R C 2.408 178.684 176.300 -0.039 0.000 1.135 88 R CA 1.323 57.394 56.100 -0.048 0.000 0.967 88 R CB -0.264 30.003 30.300 -0.054 0.000 0.861 88 R HN 0.365 nan 8.270 nan 0.000 0.442 89 R N 0.014 120.498 120.500 -0.027 0.000 2.090 89 R HA 0.014 4.354 4.340 -0.000 0.000 0.228 89 R C 2.296 178.575 176.300 -0.036 0.000 1.110 89 R CA 1.093 57.177 56.100 -0.027 0.000 0.973 89 R CB -0.204 30.090 30.300 -0.009 0.000 0.869 89 R HN 0.182 nan 8.270 nan 0.000 0.440 90 A N 1.243 124.056 122.820 -0.012 0.000 1.969 90 A HA -0.175 4.145 4.320 -0.000 0.000 0.218 90 A C 2.109 179.643 177.584 -0.084 0.000 1.169 90 A CA 1.235 53.250 52.037 -0.037 0.000 0.635 90 A CB -0.399 18.618 19.000 0.028 0.000 0.810 90 A HN 0.222 nan 8.150 nan 0.000 0.445 91 R N -0.248 120.215 120.500 -0.061 0.000 2.075 91 R HA -0.064 4.276 4.340 -0.000 0.000 0.232 91 R C 2.259 178.506 176.300 -0.090 0.000 1.126 91 R CA 1.446 57.500 56.100 -0.076 0.000 0.963 91 R CB -0.452 29.811 30.300 -0.061 0.000 0.858 91 R HN 0.392 nan 8.270 nan 0.000 0.435 92 A N 0.863 123.637 122.820 -0.077 0.000 1.917 92 A HA -0.144 4.175 4.320 -0.000 0.000 0.219 92 A C 2.304 179.827 177.584 -0.101 0.000 1.182 92 A CA 1.832 53.824 52.037 -0.076 0.000 0.633 92 A CB -0.845 18.118 19.000 -0.060 0.000 0.819 92 A HN 0.550 nan 8.150 nan 0.000 0.448 93 A N -2.287 120.453 122.820 -0.132 0.000 2.209 93 A HA 0.385 4.705 4.320 -0.000 0.000 0.212 93 A C 1.762 179.178 177.584 -0.280 0.000 1.158 93 A CA 1.427 53.355 52.037 -0.182 0.000 0.742 93 A CB -0.751 18.135 19.000 -0.190 0.000 0.790 93 A HN 1.932 nan 8.150 nan 0.000 0.472 94 G N -2.199 106.437 108.800 -0.274 0.000 2.175 94 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.182 94 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.182 94 G C 0.064 174.712 174.900 -0.421 0.000 1.003 94 G CA -0.121 44.792 45.100 -0.313 0.000 0.666 94 G HN 0.662 nan 8.290 nan 0.000 0.506 95 V N 2.293 121.974 119.914 -0.389 0.000 2.485 95 V HA 0.269 4.389 4.120 -0.000 0.000 0.287 95 V C 1.610 177.701 176.094 -0.006 0.000 1.022 95 V CA 0.180 62.369 62.300 -0.185 0.000 1.067 95 V CB 1.124 32.894 31.823 -0.089 0.000 0.967 95 V HN 0.354 nan 8.190 nan 0.000 0.479 96 R N 2.432 123.009 120.500 0.127 0.000 2.195 96 R HA 0.217 4.557 4.340 -0.000 0.000 0.197 96 R C 0.309 176.682 176.300 0.121 0.000 0.990 96 R CA 0.397 56.553 56.100 0.094 0.000 1.048 96 R CB 0.465 30.859 30.300 0.156 0.000 0.997 96 R HN 0.651 nan 8.270 nan 0.000 0.502 97 T N 1.943 116.618 114.554 0.201 0.000 2.933 97 T HA 0.568 4.917 4.350 -0.000 0.000 0.305 97 T C -0.351 174.450 174.700 0.169 0.000 1.092 97 T CA -0.644 61.584 62.100 0.213 0.000 1.008 97 T CB 2.322 71.331 68.868 0.236 0.000 1.102 97 T HN 0.160 nan 8.240 nan 0.000 0.469 98 I N -0.742 119.909 120.570 0.135 0.000 2.646 98 I HA 0.879 5.048 4.170 -0.000 0.000 0.299 98 I C -1.111 175.046 176.117 0.067 0.000 1.036 98 I CA -1.295 60.070 61.300 0.108 0.000 1.074 98 I CB 1.915 39.978 38.000 0.105 0.000 1.258 98 I HN 0.280 nan 8.210 nan 0.000 0.430 99 V N 3.925 123.861 119.914 0.036 0.000 2.333 99 V HA 0.225 4.345 4.120 -0.000 0.000 0.274 99 V C -0.292 175.741 176.094 -0.101 0.000 1.028 99 V CA -0.226 62.065 62.300 -0.015 0.000 0.851 99 V CB 0.850 32.675 31.823 0.004 0.000 1.000 99 V HN 0.740 nan 8.190 nan 0.000 0.456 100 D N 4.544 124.878 120.400 -0.109 0.000 2.365 100 D HA 0.124 4.764 4.640 -0.000 0.000 0.237 100 D C 0.773 176.911 176.300 -0.271 0.000 1.190 100 D CA -0.268 53.617 54.000 -0.192 0.000 0.867 100 D CB 1.827 42.571 40.800 -0.093 0.000 1.050 100 D HN 0.435 nan 8.370 nan 0.000 0.491 101 V N 1.484 121.094 119.914 -0.506 0.000 3.415 101 V HA 0.212 4.332 4.120 -0.000 0.000 0.325 101 V C 0.559 176.460 176.094 -0.321 0.000 1.313 101 V CA -0.627 61.406 62.300 -0.445 0.000 1.228 101 V CB -0.902 30.532 31.823 -0.647 0.000 1.131 101 V HN 0.298 nan 8.190 nan 0.000 0.433 102 S N 2.788 118.356 115.700 -0.219 0.000 2.516 102 S HA 0.369 4.838 4.470 -0.000 0.000 0.282 102 S C 0.874 175.445 174.600 -0.048 0.000 1.286 102 S CA 0.357 58.501 58.200 -0.093 0.000 1.066 102 S CB 0.646 63.829 63.200 -0.030 0.000 0.884 102 S HN 0.888 nan 8.310 nan 0.000 0.491 103 T N 0.503 115.053 114.554 -0.007 0.000 2.884 103 T HA 0.435 4.785 4.350 -0.000 0.000 0.277 103 T C 0.946 175.773 174.700 0.211 0.000 0.976 103 T CA -0.833 61.349 62.100 0.137 0.000 0.956 103 T CB 0.178 69.188 68.868 0.237 0.000 1.113 103 T HN 0.366 nan 8.240 nan 0.000 0.554 104 F N 2.133 122.214 119.950 0.218 0.000 2.063 104 F HA -0.195 4.331 4.527 -0.001 0.000 0.298 104 F C 2.148 178.076 175.800 0.214 0.000 1.109 104 F CA 2.545 60.696 58.000 0.251 0.000 1.212 104 F CB -0.542 38.690 39.000 0.387 0.000 0.973 104 F HN 0.751 nan 8.300 nan 0.000 0.480 105 D N -0.918 119.600 120.400 0.197 0.000 2.347 105 D HA -0.027 4.613 4.640 -0.000 0.000 0.215 105 D C 1.961 178.354 176.300 0.155 0.000 0.976 105 D CA 1.028 55.074 54.000 0.077 0.000 0.884 105 D CB -1.153 39.847 40.800 0.333 0.000 0.915 105 D HN 0.417 nan 8.370 nan 0.000 0.526 106 G N -0.287 108.574 108.800 0.102 0.000 3.262 106 G HA2 0.326 4.286 3.960 -0.000 0.000 0.228 106 G HA3 0.326 4.286 3.960 -0.000 0.000 0.228 106 G C 1.227 176.040 174.900 -0.145 0.000 1.197 106 G CA -0.011 44.990 45.100 -0.166 0.000 0.819 106 G HN 0.543 nan 8.290 nan 0.000 0.531 107 G N 0.132 108.879 108.800 -0.089 0.000 2.155 107 G HA2 -0.331 3.628 3.960 -0.000 0.000 0.257 107 G HA3 -0.331 3.628 3.960 -0.000 0.000 0.257 107 G C 0.593 175.477 174.900 -0.026 0.000 0.983 107 G CA 0.280 45.348 45.100 -0.053 0.000 0.676 107 G HN 0.787 nan 8.290 nan 0.000 0.528 108 R N 0.680 121.170 120.500 -0.016 0.000 2.486 108 R HA 0.115 4.455 4.340 -0.000 0.000 0.304 108 R C -0.953 175.373 176.300 0.043 0.000 0.913 108 R CA 0.796 56.907 56.100 0.019 0.000 1.124 108 R CB 0.165 30.499 30.300 0.057 0.000 0.891 108 R HN 0.144 nan 8.270 nan 0.000 0.410 109 D N 4.998 125.418 120.400 0.032 0.000 2.464 109 D HA 0.045 4.685 4.640 -0.000 0.000 0.243 109 D C 0.586 176.911 176.300 0.042 0.000 1.104 109 D CA -0.364 53.663 54.000 0.045 0.000 0.883 109 D CB 1.666 42.483 40.800 0.028 0.000 1.050 109 D HN 0.352 nan 8.370 nan 0.000 0.524 110 V N 3.568 123.516 119.914 0.057 0.000 2.626 110 V HA -0.176 3.944 4.120 -0.000 0.000 0.252 110 V C 2.177 178.293 176.094 0.038 0.000 1.067 110 V CA 2.476 64.804 62.300 0.046 0.000 1.081 110 V CB -0.190 31.668 31.823 0.057 0.000 0.686 110 V HN 0.656 nan 8.190 nan 0.000 0.468 111 S N -0.274 115.451 115.700 0.042 0.000 2.383 111 S HA -0.177 4.292 4.470 -0.000 0.000 0.227 111 S C 1.948 176.561 174.600 0.023 0.000 1.026 111 S CA 1.607 59.826 58.200 0.033 0.000 0.981 111 S CB -0.517 62.705 63.200 0.037 0.000 0.818 111 S HN 0.468 nan 8.310 nan 0.000 0.472 112 L N 0.956 122.191 121.223 0.020 0.000 2.017 112 L HA 0.104 4.444 4.340 -0.000 0.000 0.208 112 L C 2.168 179.044 176.870 0.011 0.000 1.073 112 L CA 1.483 56.328 54.840 0.008 0.000 0.745 112 L CB -0.956 41.100 42.059 -0.004 0.000 0.894 112 L HN 0.250 nan 8.230 nan 0.000 0.432 113 L N 0.044 121.278 121.223 0.019 0.000 2.012 113 L HA -0.173 4.167 4.340 -0.000 0.000 0.210 113 L C 2.731 179.614 176.870 0.022 0.000 1.073 113 L CA 2.149 57.004 54.840 0.025 0.000 0.748 113 L CB -1.684 40.390 42.059 0.025 0.000 0.891 113 L HN 0.358 nan 8.230 nan 0.000 0.431 114 A N -0.997 121.836 122.820 0.021 0.000 1.908 114 A HA -0.279 4.040 4.320 -0.000 0.000 0.218 114 A C 2.359 179.950 177.584 0.012 0.000 1.181 114 A CA 1.924 53.972 52.037 0.018 0.000 0.627 114 A CB -0.619 18.392 19.000 0.018 0.000 0.818 114 A HN 0.539 nan 8.150 nan 0.000 0.445 115 E N 0.125 120.330 120.200 0.008 0.000 2.031 115 E HA -0.162 4.188 4.350 -0.000 0.000 0.193 115 E C 2.029 178.624 176.600 -0.009 0.000 0.994 115 E CA 2.102 58.502 56.400 -0.000 0.000 0.800 115 E CB -0.256 29.443 29.700 -0.001 0.000 0.752 115 E HN 0.553 nan 8.360 nan 0.000 0.447 116 V N -0.716 119.191 119.914 -0.012 0.000 2.515 116 V HA -0.161 3.959 4.120 -0.000 0.000 0.250 116 V C 2.370 178.453 176.094 -0.019 0.000 1.058 116 V CA 2.051 64.335 62.300 -0.027 0.000 1.064 116 V CB -0.638 31.162 31.823 -0.038 0.000 0.675 116 V HN 0.264 nan 8.190 nan 0.000 0.461 117 S N 0.581 116.281 115.700 -0.000 0.000 2.356 117 S HA -0.213 4.257 4.470 -0.000 0.000 0.223 117 S C 2.243 176.836 174.600 -0.012 0.000 1.032 117 S CA 1.840 60.042 58.200 0.003 0.000 1.005 117 S CB -0.408 62.808 63.200 0.027 0.000 0.867 117 S HN 0.700 nan 8.310 nan 0.000 0.449 118 R N 0.682 121.178 120.500 -0.006 0.000 2.070 118 R HA -0.024 4.316 4.340 -0.000 0.000 0.233 118 R C 2.724 179.011 176.300 -0.022 0.000 1.137 118 R CA 1.443 57.538 56.100 -0.010 0.000 0.945 118 R CB -0.773 29.525 30.300 -0.003 0.000 0.845 118 R HN 0.523 nan 8.270 nan 0.000 0.430 119 A N 0.988 123.793 122.820 -0.025 0.000 1.933 119 A HA -0.071 4.249 4.320 -0.000 0.000 0.218 119 A C 2.234 179.792 177.584 -0.042 0.000 1.175 119 A CA 1.737 53.754 52.037 -0.033 0.000 0.628 119 A CB -0.418 18.560 19.000 -0.037 0.000 0.814 119 A HN 0.422 nan 8.150 nan 0.000 0.444 120 A N -1.761 121.030 122.820 -0.048 0.000 2.132 120 A HA 0.283 4.602 4.320 -0.000 0.000 0.213 120 A C 0.862 178.409 177.584 -0.061 0.000 1.154 120 A CA 1.169 53.173 52.037 -0.056 0.000 0.753 120 A CB -0.147 18.817 19.000 -0.059 0.000 0.826 120 A HN 0.568 nan 8.150 nan 0.000 0.469 121 D N -1.229 119.132 120.400 -0.065 0.000 2.716 121 D HA -0.121 4.519 4.640 -0.000 0.000 0.239 121 D C -0.820 175.390 176.300 -0.151 0.000 1.125 121 D CA 0.847 54.790 54.000 -0.095 0.000 0.681 121 D CB -1.641 39.112 40.800 -0.079 0.000 1.070 121 D HN 0.200 nan 8.370 nan 0.000 0.432 122 V N 1.759 121.593 119.914 -0.133 0.000 2.540 122 V HA 0.393 4.512 4.120 -0.000 0.000 0.302 122 V C 0.496 176.518 176.094 -0.120 0.000 1.035 122 V CA -0.839 61.372 62.300 -0.149 0.000 0.873 122 V CB 1.782 33.581 31.823 -0.039 0.000 0.992 122 V HN 0.271 nan 8.190 nan 0.000 0.428 123 H N 4.302 123.391 119.070 0.031 0.000 2.815 123 H HA 0.465 5.020 4.556 -0.001 0.000 0.350 123 H C -0.329 175.017 175.328 0.030 0.000 1.080 123 H CA 0.179 56.242 56.048 0.026 0.000 1.433 123 H CB 0.646 30.424 29.762 0.027 0.000 1.432 123 H HN 0.469 nan 8.280 nan 0.000 0.592 124 I N 3.082 123.739 120.570 0.144 0.000 2.466 124 I HA 0.182 4.352 4.170 -0.000 0.000 0.289 124 I C -0.648 175.502 176.117 0.054 0.000 1.026 124 I CA -0.965 60.386 61.300 0.085 0.000 1.078 124 I CB 2.012 40.047 38.000 0.059 0.000 1.249 124 I HN 0.284 nan 8.210 nan 0.000 0.429 125 V N 5.422 125.354 119.914 0.030 0.000 2.406 125 V HA 0.513 4.633 4.120 -0.000 0.000 0.272 125 V C 0.647 176.726 176.094 -0.026 0.000 1.043 125 V CA -0.399 61.898 62.300 -0.005 0.000 0.915 125 V CB 1.247 33.061 31.823 -0.016 0.000 0.988 125 V HN 0.850 nan 8.190 nan 0.000 0.466 126 A N 4.453 127.255 122.820 -0.029 0.000 2.279 126 A HA 0.898 5.217 4.320 -0.000 0.000 0.303 126 A C 0.258 177.807 177.584 -0.059 0.000 1.108 126 A CA -0.084 51.931 52.037 -0.037 0.000 0.830 126 A CB 0.978 19.969 19.000 -0.014 0.000 1.106 126 A HN 1.210 nan 8.150 nan 0.000 0.493 127 A N 0.342 123.124 122.820 -0.064 0.000 2.320 127 A HA 0.761 5.081 4.320 -0.000 0.000 0.334 127 A C 0.305 177.847 177.584 -0.071 0.000 1.147 127 A CA 0.062 52.047 52.037 -0.086 0.000 0.820 127 A CB 1.165 20.104 19.000 -0.102 0.000 1.218 127 A HN 1.057 nan 8.150 nan 0.000 0.482 128 T N -0.696 113.779 114.554 -0.131 0.000 2.780 128 T HA 0.748 5.098 4.350 -0.000 0.000 0.263 128 T C 0.592 175.141 174.700 -0.251 0.000 0.993 128 T CA 0.995 62.996 62.100 -0.165 0.000 1.010 128 T CB 0.601 69.317 68.868 -0.253 0.000 1.642 128 T HN 2.650 nan 8.240 nan 0.000 0.587 129 G N -0.331 108.151 108.800 -0.531 0.000 2.660 129 G HA2 0.025 3.985 3.960 -0.000 0.000 0.247 129 G HA3 0.025 3.985 3.960 -0.000 0.000 0.247 129 G C -1.599 173.375 174.900 0.123 0.000 1.328 129 G CA -0.309 44.381 45.100 -0.684 0.000 0.884 129 G HN 0.860 nan 8.290 nan 0.000 0.531 130 L N -1.088 120.287 121.223 0.253 0.000 2.455 130 L HA 0.641 4.981 4.340 -0.000 0.000 0.264 130 L C 0.057 177.162 176.870 0.391 0.000 0.968 130 L CA -0.726 54.385 54.840 0.450 0.000 0.827 130 L CB 2.180 44.581 42.059 0.571 0.000 1.317 130 L HN 0.904 nan 8.230 nan 0.000 0.407 131 W N 2.406 123.816 121.300 0.184 0.000 2.312 131 W HA 0.541 5.201 4.660 -0.000 0.000 0.618 131 W C 1.213 177.789 176.519 0.095 0.000 1.381 131 W CA 0.324 57.730 57.345 0.102 0.000 1.158 131 W CB 0.507 30.017 29.460 0.083 0.000 3.296 131 W HN 0.400 nan 8.180 nan 0.000 0.749 132 G N 0.250 108.550 108.800 -0.834 0.000 2.985 132 G HA2 0.029 3.989 3.960 -0.000 0.000 0.209 132 G HA3 0.029 3.989 3.960 -0.000 0.000 0.209 132 G C -0.554 174.053 174.900 -0.488 0.000 1.165 132 G CA 0.525 45.090 45.100 -0.893 0.000 0.776 132 G HN 0.249 nan 8.290 nan 0.000 0.541 133 D N 0.189 120.478 120.400 -0.186 0.000 2.945 133 D HA 0.235 4.875 4.640 -0.000 0.000 0.340 133 D C -2.501 173.862 176.300 0.105 0.000 1.240 133 D CA -1.460 52.519 54.000 -0.034 0.000 0.749 133 D CB 1.011 41.811 40.800 -0.000 0.000 1.217 133 D HN 0.053 nan 8.370 nan 0.000 0.514 134 P HA 0.268 nan 4.420 nan 0.000 0.276 134 P C -2.578 174.747 177.300 0.042 0.000 1.230 134 P CA -1.108 62.080 63.100 0.148 0.000 0.776 134 P CB 0.885 32.683 31.700 0.163 0.000 0.888 135 P HA 0.210 nan 4.420 nan 0.000 0.276 135 P C 1.298 178.576 177.300 -0.036 0.000 1.261 135 P CA -0.524 62.598 63.100 0.038 0.000 0.800 135 P CB 1.166 32.932 31.700 0.109 0.000 1.066 136 L N 0.235 121.428 121.223 -0.050 0.000 2.021 136 L HA -0.248 4.092 4.340 -0.000 0.000 0.215 136 L C 2.575 179.387 176.870 -0.097 0.000 1.074 136 L CA 2.096 56.882 54.840 -0.089 0.000 0.760 136 L CB -1.102 40.922 42.059 -0.058 0.000 0.889 136 L HN 0.383 nan 8.230 nan 0.000 0.433 137 S N -1.030 114.637 115.700 -0.055 0.000 2.419 137 S HA -0.139 4.331 4.470 -0.000 0.000 0.235 137 S C 1.896 176.426 174.600 -0.116 0.000 1.019 137 S CA 1.178 59.333 58.200 -0.074 0.000 0.982 137 S CB -0.083 63.084 63.200 -0.054 0.000 0.789 137 S HN 0.289 nan 8.310 nan 0.000 0.490 138 M N 0.774 120.312 119.600 -0.103 0.000 2.276 138 M HA 0.153 4.633 4.480 -0.000 0.000 0.262 138 M C 2.060 178.236 176.300 -0.208 0.000 1.098 138 M CA 1.004 56.250 55.300 -0.091 0.000 1.167 138 M CB -1.105 31.515 32.600 0.034 0.000 1.337 138 M HN 0.185 nan 8.290 nan 0.000 0.446 139 R N 0.524 120.722 120.500 -0.503 0.000 2.170 139 R HA -0.095 4.245 4.340 -0.000 0.000 0.242 139 R C 1.751 177.679 176.300 -0.620 0.000 1.145 139 R CA 1.033 56.484 56.100 -1.082 0.000 0.984 139 R CB -0.454 29.475 30.300 -0.619 0.000 0.869 139 R HN 0.376 nan 8.270 nan 0.000 0.455 140 L N 0.461 121.527 121.223 -0.261 0.000 2.611 140 L HA 0.099 4.439 4.340 -0.000 0.000 0.229 140 L C 0.532 177.389 176.870 -0.020 0.000 1.137 140 L CA -0.047 54.726 54.840 -0.112 0.000 0.901 140 L CB -0.002 42.004 42.059 -0.088 0.000 1.098 140 L HN -0.015 nan 8.230 nan 0.000 0.456 141 R N 0.460 120.985 120.500 0.043 0.000 2.573 141 R HA 0.372 4.712 4.340 -0.000 0.000 0.272 141 R C 0.350 176.722 176.300 0.120 0.000 1.009 141 R CA -0.173 55.965 56.100 0.064 0.000 1.059 141 R CB 1.521 31.844 30.300 0.038 0.000 1.112 141 R HN 0.045 nan 8.270 nan 0.000 0.517 142 S N -0.779 114.949 115.700 0.047 0.000 2.669 142 S HA 0.081 4.551 4.470 -0.000 0.000 0.270 142 S C 1.284 175.886 174.600 0.003 0.000 1.225 142 S CA -0.753 57.468 58.200 0.035 0.000 0.991 142 S CB 1.240 64.446 63.200 0.010 0.000 0.987 142 S HN 0.391 nan 8.310 nan 0.000 0.552 143 V N 1.184 121.091 119.914 -0.011 0.000 2.324 143 V HA -0.206 3.913 4.120 -0.000 0.000 0.250 143 V C 2.264 178.327 176.094 -0.052 0.000 1.060 143 V CA 2.630 64.904 62.300 -0.044 0.000 1.042 143 V CB -1.169 30.639 31.823 -0.025 0.000 0.650 143 V HN 0.949 nan 8.190 nan 0.000 0.450 144 E N 0.022 120.204 120.200 -0.031 0.000 2.072 144 E HA -0.196 4.153 4.350 -0.000 0.000 0.191 144 E C 2.152 178.724 176.600 -0.047 0.000 0.985 144 E CA 1.710 58.092 56.400 -0.031 0.000 0.801 144 E CB -0.242 29.448 29.700 -0.016 0.000 0.750 144 E HN 0.737 nan 8.360 nan 0.000 0.452 145 E N 0.394 120.566 120.200 -0.046 0.000 2.031 145 E HA -0.158 4.191 4.350 -0.000 0.000 0.193 145 E C 2.102 178.644 176.600 -0.096 0.000 0.994 145 E CA 0.920 57.287 56.400 -0.054 0.000 0.800 145 E CB -0.166 29.507 29.700 -0.044 0.000 0.752 145 E HN 0.199 nan 8.360 nan 0.000 0.447 146 L N 0.745 121.873 121.223 -0.159 0.000 2.079 146 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 146 L C 2.554 179.095 176.870 -0.549 0.000 1.081 146 L CA 1.247 55.856 54.840 -0.386 0.000 0.752 146 L CB -0.765 41.023 42.059 -0.451 0.000 0.896 146 L HN 0.209 nan 8.230 nan 0.000 0.433 147 T N -1.247 113.138 114.554 -0.282 0.000 2.746 147 T HA -0.193 4.157 4.350 -0.000 0.000 0.267 147 T C 1.940 176.602 174.700 -0.065 0.000 1.039 147 T CA 1.054 63.072 62.100 -0.136 0.000 1.142 147 T CB -0.125 68.723 68.868 -0.033 0.000 0.866 147 T HN 0.278 nan 8.240 nan 0.000 0.444 148 Q N 0.059 119.829 119.800 -0.050 0.000 2.167 148 Q HA 0.021 4.361 4.340 -0.000 0.000 0.202 148 Q C 2.019 178.041 176.000 0.036 0.000 0.970 148 Q CA 0.975 56.775 55.803 -0.004 0.000 0.855 148 Q CB -0.587 28.148 28.738 -0.005 0.000 0.911 148 Q HN 0.576 nan 8.270 nan 0.000 0.438 149 F N 0.599 120.467 119.950 -0.136 0.000 2.113 149 F HA -0.175 4.352 4.527 -0.000 0.000 0.297 149 F C 1.682 177.547 175.800 0.107 0.000 1.103 149 F CA 0.896 58.850 58.000 -0.077 0.000 1.248 149 F CB -0.294 38.611 39.000 -0.158 0.000 0.999 149 F HN -0.083 nan 8.300 nan 0.000 0.475 150 F N 0.694 120.533 119.950 -0.186 0.000 2.134 150 F HA -0.153 4.374 4.527 -0.000 0.000 0.299 150 F C 2.372 178.050 175.800 -0.203 0.000 1.097 150 F CA 0.966 58.804 58.000 -0.269 0.000 1.264 150 F CB -1.657 37.297 39.000 -0.078 0.000 1.001 150 F HN -0.004 nan 8.300 nan 0.000 0.479 151 L N -0.330 120.941 121.223 0.081 0.000 2.042 151 L HA -0.242 4.098 4.340 -0.000 0.000 0.210 151 L C 2.743 179.612 176.870 -0.000 0.000 1.076 151 L CA 1.551 56.409 54.840 0.029 0.000 0.749 151 L CB -0.658 41.420 42.059 0.031 0.000 0.893 151 L HN 0.083 nan 8.230 nan 0.000 0.432 152 R N 0.584 121.066 120.500 -0.030 0.000 2.083 152 R HA -0.196 4.144 4.340 -0.000 0.000 0.237 152 R C 2.061 178.370 176.300 0.014 0.000 1.137 152 R CA 1.857 57.953 56.100 -0.007 0.000 0.951 152 R CB -0.181 30.093 30.300 -0.043 0.000 0.851 152 R HN 0.454 nan 8.270 nan 0.000 0.434 153 E N 0.049 120.174 120.200 -0.124 0.000 2.150 153 E HA -0.165 4.185 4.350 -0.000 0.000 0.193 153 E C 2.071 178.641 176.600 -0.051 0.000 0.985 153 E CA 1.236 57.574 56.400 -0.103 0.000 0.814 153 E CB -0.053 29.489 29.700 -0.263 0.000 0.752 153 E HN 0.467 nan 8.360 nan 0.000 0.466 154 I N 0.738 121.277 120.570 -0.052 0.000 2.406 154 I HA -0.232 3.938 4.170 -0.000 0.000 0.249 154 I C 2.359 178.467 176.117 -0.017 0.000 1.122 154 I CA 1.124 62.398 61.300 -0.043 0.000 1.431 154 I CB 0.003 37.975 38.000 -0.047 0.000 1.087 154 I HN 0.037 nan 8.210 nan 0.000 0.424 155 Q N -1.052 118.757 119.800 0.016 0.000 2.287 155 Q HA -0.064 4.276 4.340 -0.000 0.000 0.201 155 Q C 1.898 177.937 176.000 0.065 0.000 0.946 155 Q CA 0.882 56.704 55.803 0.033 0.000 0.868 155 Q CB 0.039 28.802 28.738 0.042 0.000 0.967 155 Q HN 0.463 nan 8.270 nan 0.000 0.516 156 Y N 0.181 120.467 120.300 -0.024 0.000 2.262 156 Y HA 0.270 4.820 4.550 -0.000 0.000 0.295 156 Y C 0.595 176.488 175.900 -0.011 0.000 1.121 156 Y CA 1.409 59.502 58.100 -0.012 0.000 1.144 156 Y CB 0.712 39.170 38.460 -0.004 0.000 1.043 156 Y HN 0.090 nan 8.280 nan 0.000 0.528 157 G N 0.344 109.220 108.800 0.127 0.000 2.335 157 G HA2 0.033 3.993 3.960 -0.000 0.000 0.592 157 G HA3 0.033 3.993 3.960 -0.000 0.000 0.592 157 G C -1.663 173.345 174.900 0.180 0.000 1.442 157 G CA -0.565 44.569 45.100 0.056 0.000 0.976 157 G HN 0.225 nan 8.290 nan 0.000 0.652 158 I N 1.990 122.623 120.570 0.105 0.000 2.395 158 I HA 0.352 4.521 4.170 -0.000 0.000 0.289 158 I C 1.184 177.400 176.117 0.165 0.000 1.023 158 I CA 0.199 61.575 61.300 0.127 0.000 1.350 158 I CB 0.960 39.016 38.000 0.094 0.000 1.409 158 I HN 0.975 nan 8.210 nan 0.000 0.507 159 E N 3.082 123.403 120.200 0.201 0.000 3.401 159 E HA -0.370 3.980 4.350 -0.000 0.000 0.352 159 E C 0.116 176.845 176.600 0.216 0.000 1.523 159 E CA 1.699 58.216 56.400 0.195 0.000 1.794 159 E CB -0.428 29.373 29.700 0.169 0.000 1.792 159 E HN 0.833 nan 8.360 nan 0.000 0.471 160 D N -0.382 120.116 120.400 0.164 0.000 2.463 160 D HA 0.128 4.768 4.640 -0.000 0.000 0.224 160 D C 1.016 177.367 176.300 0.085 0.000 1.174 160 D CA 0.872 54.965 54.000 0.155 0.000 0.829 160 D CB 0.140 41.015 40.800 0.124 0.000 0.993 160 D HN 0.401 nan 8.370 nan 0.000 0.497 161 T N -4.336 110.260 114.554 0.069 0.000 3.057 161 T HA 0.219 4.569 4.350 -0.000 0.000 0.254 161 T C 1.877 176.564 174.700 -0.021 0.000 1.094 161 T CA 0.615 62.732 62.100 0.027 0.000 1.088 161 T CB 0.040 68.931 68.868 0.038 0.000 0.934 161 T HN 0.138 nan 8.240 nan 0.000 0.497 162 G N 1.576 110.336 108.800 -0.067 0.000 2.175 162 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.265 162 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.265 162 G C 0.081 174.934 174.900 -0.077 0.000 0.979 162 G CA 0.320 45.339 45.100 -0.136 0.000 0.663 162 G HN 0.679 nan 8.290 nan 0.000 0.533 163 I N 1.165 121.717 120.570 -0.029 0.000 2.396 163 I HA 0.259 4.429 4.170 -0.000 0.000 0.289 163 I C 1.060 177.168 176.117 -0.016 0.000 1.056 163 I CA -0.343 60.947 61.300 -0.017 0.000 1.365 163 I CB 0.586 38.589 38.000 0.004 0.000 1.407 163 I HN 0.060 nan 8.210 nan 0.000 0.509 164 R N 5.168 125.650 120.500 -0.030 0.000 2.349 164 R HA 0.598 4.937 4.340 -0.000 0.000 0.299 164 R C -0.062 176.215 176.300 -0.038 0.000 1.027 164 R CA -0.642 55.439 56.100 -0.032 0.000 0.958 164 R CB 1.321 31.596 30.300 -0.041 0.000 1.047 164 R HN 0.712 nan 8.270 nan 0.000 0.468 165 A N 1.484 124.276 122.820 -0.046 0.000 2.445 165 A HA 0.322 4.641 4.320 -0.000 0.000 0.242 165 A C 1.081 178.618 177.584 -0.079 0.000 1.075 165 A CA 0.116 52.115 52.037 -0.064 0.000 0.777 165 A CB 0.392 19.341 19.000 -0.085 0.000 1.013 165 A HN 0.937 nan 8.150 nan 0.000 0.493 166 G N 0.114 108.861 108.800 -0.087 0.000 3.192 166 G HA2 0.455 4.414 3.960 -0.000 0.000 0.239 166 G HA3 0.455 4.414 3.960 -0.000 0.000 0.239 166 G C 0.016 174.829 174.900 -0.145 0.000 1.084 166 G CA 0.393 45.430 45.100 -0.105 0.000 0.784 166 G HN 0.715 nan 8.290 nan 0.000 0.540 167 I N -0.415 120.068 120.570 -0.145 0.000 2.947 167 I HA 0.519 4.688 4.170 -0.000 0.000 0.301 167 I C -1.484 174.530 176.117 -0.172 0.000 1.453 167 I CA -1.069 60.127 61.300 -0.173 0.000 0.984 167 I CB 2.413 40.333 38.000 -0.133 0.000 1.333 167 I HN -0.111 nan 8.210 nan 0.000 0.475 171 A N 0.540 123.461 122.820 0.168 0.000 2.589 171 A HA 1.041 5.361 4.320 -0.000 0.000 0.296 171 A C -0.435 177.196 177.584 0.078 0.000 1.062 171 A CA 0.019 52.140 52.037 0.141 0.000 0.686 171 A CB 1.740 20.727 19.000 -0.021 0.000 1.282 171 A HN 2.605 nan 8.150 nan 0.000 0.404 172 T N -1.693 112.940 114.554 0.131 0.000 2.883 172 T HA 0.818 5.168 4.350 -0.000 0.000 0.296 172 T C -0.695 174.106 174.700 0.170 0.000 1.117 172 T CA -0.595 61.555 62.100 0.083 0.000 1.006 172 T CB 1.965 70.859 68.868 0.042 0.000 1.191 172 T HN 0.745 nan 8.240 nan 0.000 0.508 173 T N 1.479 116.092 114.554 0.097 0.000 3.135 173 T HA 0.688 5.038 4.350 -0.000 0.000 0.357 173 T C 0.458 175.192 174.700 0.056 0.000 1.112 173 T CA 0.238 62.412 62.100 0.124 0.000 1.290 173 T CB 0.089 69.028 68.868 0.119 0.000 1.018 173 T HN 1.603 nan 8.240 nan 0.000 0.527 174 G N 2.758 111.581 108.800 0.039 0.000 2.681 174 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.220 174 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.220 174 G C -0.377 174.524 174.900 0.002 0.000 1.353 174 G CA -0.849 44.256 45.100 0.008 0.000 0.872 174 G HN 0.767 nan 8.290 nan 0.000 0.557 175 K N 0.581 120.976 120.400 -0.008 0.000 2.489 175 K HA 0.502 4.822 4.320 -0.000 0.000 0.278 175 K C 1.100 177.695 176.600 -0.009 0.000 1.000 175 K CA 0.623 56.902 56.287 -0.013 0.000 1.012 175 K CB 0.227 32.719 32.500 -0.013 0.000 0.903 175 K HN 1.504 nan 8.250 nan 0.000 0.485 176 A N 3.502 126.310 122.820 -0.019 0.000 2.567 176 A HA 0.047 4.367 4.320 -0.000 0.000 0.240 176 A C 0.331 177.913 177.584 -0.003 0.000 1.053 176 A CA 0.315 52.341 52.037 -0.018 0.000 0.755 176 A CB -0.423 18.551 19.000 -0.045 0.000 0.978 176 A HN 0.854 nan 8.150 nan 0.000 0.507 177 T N 1.384 115.947 114.554 0.016 0.000 2.802 177 T HA 0.311 4.661 4.350 -0.000 0.000 0.305 177 T C -1.656 173.069 174.700 0.042 0.000 1.053 177 T CA -0.910 61.212 62.100 0.038 0.000 1.058 177 T CB 0.310 69.221 68.868 0.072 0.000 0.988 177 T HN 0.369 nan 8.240 nan 0.000 0.539 178 P HA -0.108 nan 4.420 nan 0.000 0.216 178 P C 1.247 178.597 177.300 0.082 0.000 1.157 178 P CA 0.935 64.071 63.100 0.059 0.000 0.880 178 P CB -0.171 31.572 31.700 0.072 0.000 0.791 179 F N 0.340 120.293 119.950 0.005 0.000 2.134 179 F HA -0.172 4.354 4.527 -0.000 0.000 0.299 179 F C 2.270 178.089 175.800 0.031 0.000 1.097 179 F CA 1.591 59.601 58.000 0.016 0.000 1.264 179 F CB -0.885 38.124 39.000 0.014 0.000 1.001 179 F HN -0.096 nan 8.300 nan 0.000 0.479 180 Q N 0.005 119.779 119.800 -0.045 0.000 2.124 180 Q HA -0.218 4.122 4.340 -0.000 0.000 0.202 180 Q C 2.152 178.069 176.000 -0.139 0.000 0.977 180 Q CA 1.938 57.677 55.803 -0.108 0.000 0.850 180 Q CB -0.254 28.477 28.738 -0.012 0.000 0.901 180 Q HN 0.549 nan 8.270 nan 0.000 0.429 181 E N 0.332 120.472 120.200 -0.101 0.000 2.077 181 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 181 E C 2.054 178.591 176.600 -0.105 0.000 0.989 181 E CA 0.857 57.202 56.400 -0.093 0.000 0.800 181 E CB -0.093 29.574 29.700 -0.056 0.000 0.746 181 E HN 0.365 nan 8.360 nan 0.000 0.452 182 L N 0.532 121.660 121.223 -0.157 0.000 2.012 182 L HA -0.198 4.142 4.340 -0.000 0.000 0.210 182 L C 2.555 179.313 176.870 -0.187 0.000 1.073 182 L CA 0.965 55.698 54.840 -0.177 0.000 0.748 182 L CB -0.706 41.215 42.059 -0.231 0.000 0.891 182 L HN 0.064 nan 8.230 nan 0.000 0.431 183 V N -0.141 119.583 119.914 -0.317 0.000 2.343 183 V HA -0.273 3.847 4.120 -0.000 0.000 0.247 183 V C 2.474 178.644 176.094 0.127 0.000 1.051 183 V CA 1.386 63.633 62.300 -0.089 0.000 1.036 183 V CB -0.413 31.333 31.823 -0.127 0.000 0.654 183 V HN 0.247 nan 8.190 nan 0.000 0.451 184 L N -0.205 121.049 121.223 0.052 0.000 2.083 184 L HA -0.158 4.181 4.340 -0.000 0.000 0.209 184 L C 2.340 179.356 176.870 0.243 0.000 1.083 184 L CA 1.798 56.727 54.840 0.148 0.000 0.752 184 L CB -0.949 41.026 42.059 -0.141 0.000 0.899 184 L HN 0.302 nan 8.230 nan 0.000 0.433 185 K N -0.984 119.486 120.400 0.117 0.000 2.057 185 K HA -0.049 4.270 4.320 -0.000 0.000 0.206 185 K C 2.153 178.842 176.600 0.148 0.000 1.050 185 K CA 1.204 57.565 56.287 0.122 0.000 0.935 185 K CB -0.263 32.265 32.500 0.048 0.000 0.715 185 K HN 0.296 nan 8.250 nan 0.000 0.439 186 A N 1.610 124.516 122.820 0.144 0.000 1.898 186 A HA -0.058 4.261 4.320 -0.000 0.000 0.216 186 A C 2.396 180.194 177.584 0.355 0.000 1.181 186 A CA 1.632 53.765 52.037 0.160 0.000 0.620 186 A CB -0.675 18.313 19.000 -0.021 0.000 0.819 186 A HN 0.303 nan 8.150 nan 0.000 0.442 187 A N 0.030 123.130 122.820 0.467 0.000 1.917 187 A HA 0.064 4.384 4.320 -0.000 0.000 0.219 187 A C 2.482 180.160 177.584 0.158 0.000 1.182 187 A CA 2.328 54.539 52.037 0.289 0.000 0.633 187 A CB -0.991 18.125 19.000 0.194 0.000 0.819 187 A HN 1.079 nan 8.150 nan 0.000 0.448 188 A N -0.526 122.416 122.820 0.203 0.000 1.930 188 A HA -0.113 4.207 4.320 -0.000 0.000 0.217 188 A C 2.245 179.879 177.584 0.083 0.000 1.175 188 A CA 1.436 53.547 52.037 0.123 0.000 0.627 188 A CB -0.392 18.756 19.000 0.246 0.000 0.815 188 A HN 0.561 nan 8.150 nan 0.000 0.443 189 R N -0.543 120.022 120.500 0.108 0.000 2.075 189 R HA 0.000 4.340 4.340 -0.000 0.000 0.232 189 R C 2.471 178.809 176.300 0.064 0.000 1.126 189 R CA 1.132 57.276 56.100 0.074 0.000 0.963 189 R CB -0.409 29.933 30.300 0.070 0.000 0.858 189 R HN 0.489 nan 8.270 nan 0.000 0.435 190 A N 0.291 123.172 122.820 0.102 0.000 1.930 190 A HA -0.164 4.156 4.320 -0.000 0.000 0.217 190 A C 2.163 179.756 177.584 0.015 0.000 1.175 190 A CA 1.745 53.830 52.037 0.081 0.000 0.627 190 A CB -0.562 18.538 19.000 0.168 0.000 0.815 190 A HN 0.298 nan 8.150 nan 0.000 0.443 191 S N -0.521 115.172 115.700 -0.012 0.000 2.382 191 S HA -0.087 4.383 4.470 -0.000 0.000 0.228 191 S C 1.910 176.478 174.600 -0.054 0.000 1.027 191 S CA 1.351 59.511 58.200 -0.067 0.000 0.991 191 S CB -0.484 62.648 63.200 -0.113 0.000 0.823 191 S HN 0.486 nan 8.310 nan 0.000 0.469 192 L N 0.823 122.031 121.223 -0.025 0.000 2.083 192 L HA -0.060 4.280 4.340 -0.000 0.000 0.209 192 L C 2.833 179.692 176.870 -0.018 0.000 1.083 192 L CA 1.297 56.126 54.840 -0.020 0.000 0.752 192 L CB -0.511 41.548 42.059 -0.000 0.000 0.899 192 L HN 0.422 nan 8.230 nan 0.000 0.433 193 A N -0.667 122.148 122.820 -0.009 0.000 1.930 193 A HA -0.128 4.192 4.320 -0.000 0.000 0.215 193 A C 2.342 179.916 177.584 -0.018 0.000 1.176 193 A CA 1.775 53.807 52.037 -0.007 0.000 0.632 193 A CB -0.549 18.454 19.000 0.005 0.000 0.819 193 A HN 0.470 nan 8.150 nan 0.000 0.445 194 T N -5.751 108.786 114.554 -0.028 0.000 3.015 194 T HA 0.412 4.762 4.350 -0.000 0.000 0.250 194 T C 1.488 176.151 174.700 -0.061 0.000 1.057 194 T CA 1.181 63.257 62.100 -0.041 0.000 1.066 194 T CB 0.299 69.141 68.868 -0.043 0.000 0.959 194 T HN 1.660 nan 8.240 nan 0.000 0.488 195 G N 0.994 109.749 108.800 -0.074 0.000 2.179 195 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.260 195 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.260 195 G C 0.096 174.912 174.900 -0.140 0.000 0.977 195 G CA 0.039 45.081 45.100 -0.096 0.000 0.641 195 G HN 0.727 nan 8.290 nan 0.000 0.533 196 V N 3.391 123.218 119.914 -0.145 0.000 2.614 196 V HA 0.429 4.548 4.120 -0.000 0.000 0.291 196 V C -0.781 175.155 176.094 -0.264 0.000 1.049 196 V CA -0.791 61.390 62.300 -0.199 0.000 1.038 196 V CB 1.382 33.108 31.823 -0.162 0.000 0.980 196 V HN 0.278 nan 8.190 nan 0.000 0.481 197 P HA 0.323 nan 4.420 nan 0.000 0.276 197 P C -1.041 176.048 177.300 -0.352 0.000 1.261 197 P CA -0.286 62.499 63.100 -0.525 0.000 0.800 197 P CB 1.237 32.164 31.700 -1.287 0.000 1.066 198 V N -0.079 119.695 119.914 -0.234 0.000 2.628 198 V HA 0.550 4.669 4.120 -0.000 0.000 0.306 198 V C 0.424 176.566 176.094 0.080 0.000 1.045 198 V CA -0.233 61.987 62.300 -0.133 0.000 0.905 198 V CB 1.600 33.246 31.823 -0.294 0.000 0.997 198 V HN 0.672 nan 8.190 nan 0.000 0.436 199 T N 2.519 117.136 114.554 0.106 0.000 2.893 199 T HA 0.712 5.062 4.350 -0.000 0.000 0.293 199 T C -0.411 174.378 174.700 0.148 0.000 1.027 199 T CA -0.114 62.094 62.100 0.180 0.000 0.988 199 T CB 1.631 70.624 68.868 0.208 0.000 1.043 199 T HN 1.056 nan 8.240 nan 0.000 0.461 200 T N 1.011 115.656 114.554 0.153 0.000 2.930 200 T HA 0.592 4.942 4.350 -0.000 0.000 0.290 200 T C -0.795 173.972 174.700 0.112 0.000 1.052 200 T CA -0.741 61.466 62.100 0.178 0.000 1.017 200 T CB 1.373 70.373 68.868 0.220 0.000 1.137 200 T HN 0.771 nan 8.240 nan 0.000 0.511 201 H N 0.522 119.629 119.070 0.061 0.000 2.458 201 H HA 0.657 5.213 4.556 -0.000 0.000 0.330 201 H C 0.002 175.373 175.328 0.071 0.000 1.111 201 H CA -0.157 55.896 56.048 0.008 0.000 1.245 201 H CB 1.314 31.217 29.762 0.234 0.000 1.456 201 H HN 1.049 nan 8.280 nan 0.000 0.488 202 T N 1.626 116.120 114.554 -0.100 0.000 2.901 202 T HA 0.671 5.021 4.350 -0.000 0.000 0.293 202 T C -0.552 174.114 174.700 -0.056 0.000 1.084 202 T CA -0.842 61.278 62.100 0.032 0.000 1.008 202 T CB 1.388 70.293 68.868 0.062 0.000 1.170 202 T HN 0.749 nan 8.240 nan 0.000 0.509 203 A N 0.828 123.671 122.820 0.039 0.000 2.391 203 A HA 0.710 5.029 4.320 -0.000 0.000 0.316 203 A C 1.517 179.097 177.584 -0.006 0.000 1.381 203 A CA -0.232 51.815 52.037 0.017 0.000 0.998 203 A CB -0.559 18.462 19.000 0.034 0.000 1.147 203 A HN 1.324 nan 8.150 nan 0.000 0.545 204 A N 2.257 125.089 122.820 0.018 0.000 1.933 204 A HA -0.079 4.241 4.320 -0.000 0.000 0.218 204 A C 2.375 179.858 177.584 -0.168 0.000 1.175 204 A CA 2.059 54.104 52.037 0.013 0.000 0.628 204 A CB -0.674 18.413 19.000 0.146 0.000 0.814 204 A HN 1.509 nan 8.150 nan 0.000 0.444 205 S N -0.459 115.185 115.700 -0.092 0.000 2.474 205 S HA -0.157 4.313 4.470 -0.000 0.000 0.235 205 S C 1.386 175.892 174.600 -0.156 0.000 0.997 205 S CA 1.223 59.355 58.200 -0.112 0.000 0.949 205 S CB -0.374 62.797 63.200 -0.048 0.000 0.766 205 S HN 0.714 nan 8.310 nan 0.000 0.517 206 Q N 0.458 120.166 119.800 -0.153 0.000 2.220 206 Q HA 0.327 4.667 4.340 -0.000 0.000 0.205 206 Q C -0.398 175.471 176.000 -0.217 0.000 0.865 206 Q CA -0.372 55.344 55.803 -0.145 0.000 0.960 206 Q CB 0.110 28.805 28.738 -0.072 0.000 1.097 206 Q HN 0.508 nan 8.270 nan 0.000 0.493 207 R N 0.546 120.782 120.500 -0.439 0.000 3.516 207 R HA -0.203 4.137 4.340 -0.000 0.000 0.271 207 R C -0.289 175.922 176.300 -0.148 0.000 1.098 207 R CA 0.541 56.263 56.100 -0.629 0.000 0.732 207 R CB -1.595 28.422 30.300 -0.472 0.000 1.152 207 R HN 0.289 nan 8.270 nan 0.000 0.455 208 D N -0.038 120.328 120.400 -0.057 0.000 2.221 208 D HA -0.094 4.546 4.640 -0.000 0.000 0.204 208 D C 2.053 178.385 176.300 0.052 0.000 0.982 208 D CA 1.683 55.690 54.000 0.011 0.000 0.857 208 D CB -0.291 40.528 40.800 0.032 0.000 0.934 208 D HN 0.601 nan 8.370 nan 0.000 0.475 209 G N 0.578 109.485 108.800 0.179 0.000 2.450 209 G HA2 -0.284 3.676 3.960 -0.000 0.000 0.220 209 G HA3 -0.284 3.676 3.960 -0.000 0.000 0.220 209 G C 1.554 176.442 174.900 -0.020 0.000 1.130 209 G CA 0.612 45.758 45.100 0.077 0.000 0.760 209 G HN 0.301 nan 8.290 nan 0.000 0.557 210 E N -0.412 119.844 120.200 0.093 0.000 2.047 210 E HA -0.139 4.211 4.350 -0.000 0.000 0.191 210 E C 2.446 179.023 176.600 -0.039 0.000 0.987 210 E CA 1.077 57.490 56.400 0.022 0.000 0.799 210 E CB -0.154 29.592 29.700 0.077 0.000 0.752 210 E HN 0.595 nan 8.360 nan 0.000 0.449 211 Q N 0.759 120.532 119.800 -0.044 0.000 2.084 211 Q HA -0.248 4.092 4.340 -0.000 0.000 0.202 211 Q C 2.126 178.032 176.000 -0.157 0.000 0.978 211 Q CA 1.492 57.249 55.803 -0.077 0.000 0.844 211 Q CB 0.088 28.786 28.738 -0.067 0.000 0.898 211 Q HN 0.305 nan 8.270 nan 0.000 0.426 212 Q N 0.024 119.705 119.800 -0.197 0.000 2.030 212 Q HA -0.208 4.132 4.340 -0.000 0.000 0.204 212 Q C 2.186 177.929 176.000 -0.428 0.000 0.986 212 Q CA 1.556 57.109 55.803 -0.416 0.000 0.843 212 Q CB -0.345 28.222 28.738 -0.285 0.000 0.904 212 Q HN 0.509 nan 8.270 nan 0.000 0.420 213 A N 1.339 124.046 122.820 -0.188 0.000 1.892 213 A HA -0.242 4.078 4.320 -0.000 0.000 0.218 213 A C 2.350 179.985 177.584 0.086 0.000 1.188 213 A CA 1.969 53.988 52.037 -0.029 0.000 0.631 213 A CB -1.007 17.808 19.000 -0.309 0.000 0.822 213 A HN 0.443 nan 8.150 nan 0.000 0.447 214 A N -0.507 122.306 122.820 -0.012 0.000 1.933 214 A HA -0.069 4.251 4.320 -0.000 0.000 0.218 214 A C 2.137 179.725 177.584 0.007 0.000 1.175 214 A CA 1.590 53.637 52.037 0.016 0.000 0.628 214 A CB -0.554 18.441 19.000 -0.009 0.000 0.814 214 A HN 0.519 nan 8.150 nan 0.000 0.444 215 I N -1.776 118.740 120.570 -0.090 0.000 2.286 215 I HA -0.176 3.993 4.170 -0.000 0.000 0.245 215 I C 2.125 178.257 176.117 0.025 0.000 1.104 215 I CA 0.961 62.201 61.300 -0.101 0.000 1.397 215 I CB -0.324 37.531 38.000 -0.242 0.000 1.072 215 I HN 0.268 nan 8.210 nan 0.000 0.417 216 F N 1.362 121.357 119.950 0.076 0.000 2.126 216 F HA -0.199 4.328 4.527 -0.000 0.000 0.299 216 F C 2.500 178.356 175.800 0.093 0.000 1.096 216 F CA 1.315 59.375 58.000 0.099 0.000 1.255 216 F CB -0.952 38.142 39.000 0.158 0.000 0.997 216 F HN 0.116 nan 8.300 nan 0.000 0.479 217 E N -0.214 120.162 120.200 0.293 0.000 2.152 217 E HA -0.152 4.198 4.350 -0.000 0.000 0.192 217 E C 2.301 178.974 176.600 0.123 0.000 0.983 217 E CA 1.321 57.834 56.400 0.188 0.000 0.818 217 E CB -0.328 29.477 29.700 0.174 0.000 0.758 217 E HN 0.399 nan 8.360 nan 0.000 0.467 218 S N 1.099 116.861 115.700 0.104 0.000 2.440 218 S HA -0.156 4.314 4.470 -0.000 0.000 0.238 218 S C 1.613 176.256 174.600 0.073 0.000 1.010 218 S CA 0.926 59.168 58.200 0.070 0.000 0.972 218 S CB -0.048 63.179 63.200 0.047 0.000 0.774 218 S HN 0.127 nan 8.310 nan 0.000 0.501 219 E N 0.639 120.900 120.200 0.102 0.000 2.479 219 E HA 0.222 4.572 4.350 -0.000 0.000 0.193 219 E C 1.390 178.037 176.600 0.078 0.000 1.049 219 E CA 0.543 57.000 56.400 0.094 0.000 0.870 219 E CB 0.024 29.802 29.700 0.131 0.000 0.944 219 E HN 0.719 nan 8.360 nan 0.000 0.492 220 G N 1.883 110.730 108.800 0.079 0.000 2.148 220 G HA2 -0.285 3.675 3.960 -0.000 0.000 0.254 220 G HA3 -0.285 3.675 3.960 -0.000 0.000 0.254 220 G C 0.092 175.018 174.900 0.042 0.000 0.981 220 G CA 0.412 45.544 45.100 0.054 0.000 0.670 220 G HN 0.254 nan 8.290 nan 0.000 0.528 221 L N 2.047 123.308 121.223 0.063 0.000 2.410 221 L HA 0.643 4.983 4.340 -0.000 0.000 0.273 221 L C 0.777 177.641 176.870 -0.010 0.000 1.152 221 L CA -0.054 54.797 54.840 0.018 0.000 0.855 221 L CB 0.975 43.041 42.059 0.011 0.000 1.129 221 L HN 0.153 nan 8.230 nan 0.000 0.463 222 S N 6.972 122.639 115.700 -0.055 0.000 2.531 222 S HA 0.162 4.632 4.470 -0.000 0.000 0.279 222 S C -1.625 172.869 174.600 -0.176 0.000 1.305 222 S CA -0.617 57.526 58.200 -0.095 0.000 1.058 222 S CB 0.828 63.977 63.200 -0.084 0.000 0.899 222 S HN 0.603 nan 8.310 nan 0.000 0.493 223 P HA -0.132 nan 4.420 nan 0.000 0.218 223 P C 1.344 178.400 177.300 -0.407 0.000 1.146 223 P CA 1.028 63.692 63.100 -0.727 0.000 0.813 223 P CB -0.040 31.001 31.700 -1.099 0.000 0.778 224 S N -1.882 113.690 115.700 -0.214 0.000 2.555 224 S HA 0.018 4.488 4.470 -0.000 0.000 0.230 224 S C 1.666 176.279 174.600 0.022 0.000 0.978 224 S CA 0.351 58.507 58.200 -0.073 0.000 0.934 224 S CB -0.564 62.604 63.200 -0.054 0.000 0.766 224 S HN 0.028 nan 8.310 nan 0.000 0.533 225 R N 0.786 121.260 120.500 -0.042 0.000 2.310 225 R HA 0.339 4.679 4.340 -0.000 0.000 0.202 225 R C -0.363 175.961 176.300 0.041 0.000 0.933 225 R CA 0.121 56.185 56.100 -0.060 0.000 1.054 225 R CB 0.014 30.229 30.300 -0.142 0.000 0.985 225 R HN 0.351 nan 8.270 nan 0.000 0.489 226 V N 0.665 120.668 119.914 0.147 0.000 2.487 226 V HA 0.204 4.324 4.120 -0.000 0.000 0.298 226 V C -0.331 175.946 176.094 0.304 0.000 1.028 226 V CA -1.212 61.205 62.300 0.195 0.000 0.860 226 V CB 2.275 34.190 31.823 0.153 0.000 0.991 226 V HN 0.109 nan 8.190 nan 0.000 0.427 227 C N 7.252 126.707 119.300 0.258 0.000 2.273 227 C HA 0.557 5.017 4.460 -0.000 0.000 0.328 227 C C 0.020 175.053 174.990 0.071 0.000 1.275 227 C CA -0.720 58.300 59.018 0.004 0.000 1.704 227 C CB -0.617 26.968 27.740 -0.258 0.000 2.326 227 C HN 0.695 nan 8.230 nan 0.000 0.517 228 I N 6.850 127.442 120.570 0.036 0.000 2.363 228 I HA 0.283 4.453 4.170 -0.000 0.000 0.292 228 I C 1.184 177.282 176.117 -0.031 0.000 1.075 228 I CA 0.583 61.889 61.300 0.010 0.000 1.333 228 I CB -0.047 37.913 38.000 -0.066 0.000 1.415 228 I HN 0.895 nan 8.210 nan 0.000 0.502 229 G N 4.588 113.357 108.800 -0.050 0.000 2.522 229 G HA2 0.313 4.273 3.960 -0.000 0.000 0.304 229 G HA3 0.313 4.273 3.960 -0.000 0.000 0.304 229 G C 0.263 175.053 174.900 -0.182 0.000 1.210 229 G CA -0.267 44.732 45.100 -0.169 0.000 0.960 229 G HN 0.771 nan 8.290 nan 0.000 0.497 230 H N -1.083 117.905 119.070 -0.137 0.000 2.822 230 H HA -0.153 4.402 4.556 -0.001 0.000 0.295 230 H C 1.892 177.257 175.328 0.061 0.000 1.151 230 H CA 0.582 56.561 56.048 -0.115 0.000 1.151 230 H CB -1.751 27.818 29.762 -0.321 0.000 1.343 230 H HN 0.318 nan 8.280 nan 0.000 0.382 231 S N 0.166 115.947 115.700 0.136 0.000 2.515 231 S HA -0.083 4.387 4.470 -0.000 0.000 0.231 231 S C 1.611 176.283 174.600 0.120 0.000 0.987 231 S CA 0.782 59.056 58.200 0.123 0.000 0.936 231 S CB 0.102 63.316 63.200 0.023 0.000 0.766 231 S HN 0.642 nan 8.310 nan 0.000 0.528 232 D N 1.170 121.640 120.400 0.117 0.000 2.378 232 D HA -0.088 4.552 4.640 -0.000 0.000 0.227 232 D C 0.396 176.700 176.300 0.007 0.000 1.012 232 D CA 0.477 54.506 54.000 0.047 0.000 0.905 232 D CB -0.308 40.496 40.800 0.006 0.000 0.895 232 D HN 0.214 nan 8.370 nan 0.000 0.532 233 D N 0.366 120.810 120.400 0.074 0.000 2.340 233 D HA -0.035 4.604 4.640 -0.000 0.000 0.220 233 D C 0.504 176.841 176.300 0.060 0.000 1.039 233 D CA 0.234 54.263 54.000 0.049 0.000 0.866 233 D CB -0.146 40.705 40.800 0.085 0.000 0.913 233 D HN 0.116 nan 8.370 nan 0.000 0.523 234 T N 0.555 115.171 114.554 0.102 0.000 2.946 234 T HA -0.077 4.273 4.350 -0.000 0.000 0.311 234 T C 0.875 175.612 174.700 0.062 0.000 1.063 234 T CA 0.033 62.209 62.100 0.127 0.000 1.139 234 T CB 0.762 69.775 68.868 0.241 0.000 0.994 234 T HN -0.106 nan 8.240 nan 0.000 0.547 235 D N 1.854 122.271 120.400 0.027 0.000 2.348 235 D HA 0.105 4.744 4.640 -0.000 0.000 0.211 235 D C 0.075 176.394 176.300 0.032 0.000 0.998 235 D CA 0.615 54.623 54.000 0.012 0.000 0.873 235 D CB 0.289 41.077 40.800 -0.019 0.000 0.925 235 D HN 0.635 nan 8.370 nan 0.000 0.524 236 D N 0.078 120.518 120.400 0.067 0.000 2.365 236 D HA -0.011 4.629 4.640 -0.000 0.000 0.235 236 D C 0.652 177.026 176.300 0.123 0.000 1.368 236 D CA -0.519 53.529 54.000 0.080 0.000 1.001 236 D CB 0.661 41.500 40.800 0.065 0.000 1.364 236 D HN -0.230 nan 8.370 nan 0.000 0.577 237 L N 3.053 124.326 121.223 0.083 0.000 2.129 237 L HA -0.118 4.222 4.340 -0.000 0.000 0.212 237 L C 1.752 178.658 176.870 0.060 0.000 1.087 237 L CA 2.092 56.973 54.840 0.068 0.000 0.757 237 L CB -0.450 41.642 42.059 0.056 0.000 0.896 237 L HN 0.436 nan 8.230 nan 0.000 0.434 238 S N -1.400 114.344 115.700 0.074 0.000 2.382 238 S HA -0.273 4.197 4.470 -0.000 0.000 0.228 238 S C 1.834 176.478 174.600 0.074 0.000 1.027 238 S CA 1.394 59.633 58.200 0.065 0.000 0.991 238 S CB -0.912 62.327 63.200 0.066 0.000 0.823 238 S HN 0.659 nan 8.310 nan 0.000 0.469 239 Y N 2.739 123.029 120.300 -0.017 0.000 2.128 239 Y HA -0.147 4.403 4.550 -0.000 0.000 0.284 239 Y C 1.826 177.697 175.900 -0.048 0.000 1.154 239 Y CA 1.209 59.291 58.100 -0.029 0.000 1.149 239 Y CB -0.578 37.867 38.460 -0.025 0.000 0.976 239 Y HN 0.149 nan 8.280 nan 0.000 0.505 240 L N -0.339 120.735 121.223 -0.249 0.000 2.023 240 L HA -0.179 4.161 4.340 -0.000 0.000 0.205 240 L C 2.655 179.343 176.870 -0.304 0.000 1.073 240 L CA 1.967 56.595 54.840 -0.353 0.000 0.745 240 L CB -1.377 40.577 42.059 -0.175 0.000 0.900 240 L HN 0.384 nan 8.230 nan 0.000 0.435 241 T N -2.008 112.421 114.554 -0.208 0.000 2.788 241 T HA -0.158 4.192 4.350 -0.000 0.000 0.268 241 T C 1.940 176.456 174.700 -0.307 0.000 1.044 241 T CA 1.051 62.966 62.100 -0.309 0.000 1.139 241 T CB -0.404 68.434 68.868 -0.049 0.000 0.867 241 T HN 0.311 nan 8.240 nan 0.000 0.454 242 A N 1.537 124.263 122.820 -0.157 0.000 1.933 242 A HA 0.172 4.492 4.320 -0.000 0.000 0.218 242 A C 2.452 179.971 177.584 -0.108 0.000 1.175 242 A CA 1.295 53.279 52.037 -0.089 0.000 0.628 242 A CB -0.839 18.148 19.000 -0.023 0.000 0.814 242 A HN 0.546 nan 8.150 nan 0.000 0.444 243 L N -0.958 120.152 121.223 -0.188 0.000 2.044 243 L HA -0.135 4.205 4.340 -0.000 0.000 0.205 243 L C 3.121 179.962 176.870 -0.049 0.000 1.075 243 L CA 0.966 55.737 54.840 -0.115 0.000 0.747 243 L CB -0.555 41.320 42.059 -0.305 0.000 0.903 243 L HN 0.420 nan 8.230 nan 0.000 0.435 244 A N 0.185 122.841 122.820 -0.273 0.000 1.908 244 A HA -0.217 4.103 4.320 -0.000 0.000 0.218 244 A C 2.492 179.894 177.584 -0.303 0.000 1.181 244 A CA 1.813 53.625 52.037 -0.375 0.000 0.627 244 A CB -0.763 17.748 19.000 -0.814 0.000 0.818 244 A HN 0.411 nan 8.150 nan 0.000 0.445 245 A N -0.349 122.266 122.820 -0.342 0.000 2.019 245 A HA -0.147 4.173 4.320 -0.000 0.000 0.219 245 A C 2.135 179.741 177.584 0.036 0.000 1.164 245 A CA 1.494 53.525 52.037 -0.009 0.000 0.644 245 A CB -0.392 18.640 19.000 0.054 0.000 0.805 245 A HN 0.580 nan 8.150 nan 0.000 0.449 246 R N -1.766 118.751 120.500 0.028 0.000 2.299 246 R HA 0.225 4.565 4.340 -0.000 0.000 0.197 246 R C 1.296 177.545 176.300 -0.085 0.000 0.971 246 R CA 0.597 56.721 56.100 0.040 0.000 1.030 246 R CB 0.034 30.435 30.300 0.169 0.000 0.932 246 R HN 0.660 nan 8.270 nan 0.000 0.477 247 G N -0.604 108.144 108.800 -0.086 0.000 2.184 247 G HA2 -0.259 3.701 3.960 -0.000 0.000 0.206 247 G HA3 -0.259 3.701 3.960 -0.000 0.000 0.206 247 G C -0.244 174.519 174.900 -0.230 0.000 0.995 247 G CA -0.648 44.365 45.100 -0.145 0.000 0.651 247 G HN 0.190 nan 8.290 nan 0.000 0.511 248 Y N 0.194 120.470 120.300 -0.041 0.000 2.578 248 Y HA 0.458 5.007 4.550 -0.000 0.000 0.339 248 Y C 1.273 177.124 175.900 -0.082 0.000 1.231 248 Y CA -0.241 57.830 58.100 -0.048 0.000 1.461 248 Y CB 0.382 38.808 38.460 -0.057 0.000 1.323 248 Y HN 0.138 nan 8.280 nan 0.000 0.590 249 L N 4.046 125.296 121.223 0.046 0.000 2.395 249 L HA 0.223 4.563 4.340 -0.000 0.000 0.269 249 L C -0.382 176.439 176.870 -0.083 0.000 1.133 249 L CA 0.006 54.792 54.840 -0.091 0.000 0.812 249 L CB 0.357 42.227 42.059 -0.316 0.000 1.125 249 L HN 0.380 nan 8.230 nan 0.000 0.452 250 I N 2.090 122.592 120.570 -0.114 0.000 2.382 250 I HA 0.315 4.485 4.170 -0.000 0.000 0.285 250 I C 0.604 176.661 176.117 -0.099 0.000 1.007 250 I CA -0.327 60.912 61.300 -0.102 0.000 1.142 250 I CB 1.010 38.949 38.000 -0.102 0.000 1.289 250 I HN 0.625 nan 8.210 nan 0.000 0.453 251 G N 7.391 116.138 108.800 -0.089 0.000 2.391 251 G HA2 0.497 4.457 3.960 -0.000 0.000 0.305 251 G HA3 0.497 4.457 3.960 -0.000 0.000 0.305 251 G C -0.088 174.805 174.900 -0.011 0.000 1.072 251 G CA -0.402 44.656 45.100 -0.070 0.000 1.016 251 G HN 0.556 nan 8.290 nan 0.000 0.418 252 L N 3.441 124.669 121.223 0.009 0.000 2.397 252 L HA 0.248 4.588 4.340 -0.000 0.000 0.263 252 L C 0.248 177.166 176.870 0.080 0.000 1.136 252 L CA -0.530 54.344 54.840 0.056 0.000 1.019 252 L CB 0.642 42.731 42.059 0.052 0.000 1.352 252 L HN 0.692 nan 8.230 nan 0.000 0.420 253 D N -1.407 119.060 120.400 0.112 0.000 2.469 253 D HA -0.040 4.600 4.640 -0.000 0.000 0.213 253 D C 0.835 177.179 176.300 0.073 0.000 1.135 253 D CA -0.035 53.998 54.000 0.055 0.000 0.834 253 D CB 0.284 41.029 40.800 -0.093 0.000 1.009 253 D HN 0.469 nan 8.370 nan 0.000 0.507 254 H N 0.535 119.525 119.070 -0.134 0.000 2.674 254 H HA 0.295 4.850 4.556 -0.001 0.000 0.235 254 H C 0.885 176.201 175.328 -0.019 0.000 1.330 254 H CA -0.768 55.133 56.048 -0.246 0.000 1.052 254 H CB -0.490 28.725 29.762 -0.912 0.000 1.954 254 H HN -0.132 nan 8.280 nan 0.000 0.566 255 I N 1.460 122.108 120.570 0.131 0.000 2.185 255 I HA -0.152 4.018 4.170 -0.000 0.000 0.246 255 I C -0.725 175.474 176.117 0.136 0.000 1.088 255 I CA 0.837 62.242 61.300 0.175 0.000 1.347 255 I CB -2.122 36.062 38.000 0.308 0.000 1.041 255 I HN 0.277 nan 8.210 nan 0.000 0.415 256 P HA -0.088 nan 4.420 nan 0.000 0.245 256 P C 0.052 177.337 177.300 -0.026 0.000 1.212 256 P CA 0.293 63.094 63.100 -0.499 0.000 0.774 256 P CB -0.346 30.657 31.700 -1.163 0.000 0.999 257 Y N 0.997 121.274 120.300 -0.038 0.000 2.587 257 Y HA 0.343 4.892 4.550 -0.001 0.000 0.344 257 Y C 1.095 176.989 175.900 -0.011 0.000 1.061 257 Y CA 0.267 58.384 58.100 0.028 0.000 1.370 257 Y CB 0.067 38.568 38.460 0.069 0.000 1.163 257 Y HN -0.112 nan 8.280 nan 0.000 0.527 258 S N 1.681 117.437 115.700 0.094 0.000 2.535 258 S HA 0.705 5.175 4.470 -0.000 0.000 0.272 258 S C -0.053 174.572 174.600 0.042 0.000 1.149 258 S CA -0.085 58.157 58.200 0.071 0.000 0.888 258 S CB 0.979 64.231 63.200 0.087 0.000 1.110 258 S HN 0.629 nan 8.310 nan 0.000 0.463 259 A N 3.954 126.799 122.820 0.041 0.000 2.390 259 A HA 0.448 4.767 4.320 -0.000 0.000 0.232 259 A C 0.480 178.082 177.584 0.030 0.000 1.233 259 A CA -0.238 51.818 52.037 0.031 0.000 0.907 259 A CB -0.464 18.556 19.000 0.034 0.000 0.967 259 A HN 0.810 nan 8.150 nan 0.000 0.512 260 I N 1.228 121.817 120.570 0.033 0.000 3.022 260 I HA 0.092 4.262 4.170 -0.000 0.000 0.290 260 I C 1.378 177.513 176.117 0.030 0.000 1.212 260 I CA 1.705 63.022 61.300 0.028 0.000 1.377 260 I CB -0.322 37.694 38.000 0.026 0.000 1.417 260 I HN 0.447 nan 8.210 nan 0.000 0.540 261 G N 5.450 114.264 108.800 0.024 0.000 2.148 261 G HA2 -0.164 3.796 3.960 -0.000 0.000 0.157 261 G HA3 -0.164 3.796 3.960 -0.000 0.000 0.157 261 G C 0.062 174.974 174.900 0.021 0.000 1.012 261 G CA -0.568 44.546 45.100 0.023 0.000 0.677 261 G HN 0.554 nan 8.290 nan 0.000 0.506 262 L N -0.383 120.852 121.223 0.020 0.000 3.293 262 L HA 0.292 4.632 4.340 -0.000 0.000 0.345 262 L C 1.149 178.030 176.870 0.018 0.000 1.311 262 L CA -0.291 54.560 54.840 0.019 0.000 0.846 262 L CB 0.730 42.801 42.059 0.021 0.000 1.293 262 L HN 0.077 nan 8.230 nan 0.000 0.601 263 E N 0.411 120.621 120.200 0.016 0.000 2.482 263 E HA -0.121 4.229 4.350 -0.000 0.000 0.196 263 E C 1.228 177.835 176.600 0.012 0.000 1.047 263 E CA 0.768 57.177 56.400 0.015 0.000 0.869 263 E CB 0.140 29.848 29.700 0.013 0.000 0.836 263 E HN 0.479 nan 8.360 nan 0.000 0.520 264 D N -0.619 119.787 120.400 0.010 0.000 2.349 264 D HA -0.064 4.576 4.640 -0.000 0.000 0.215 264 D C 0.178 176.482 176.300 0.006 0.000 1.016 264 D CA 0.128 54.132 54.000 0.007 0.000 0.870 264 D CB -0.093 40.710 40.800 0.005 0.000 0.917 264 D HN -0.088 nan 8.370 nan 0.000 0.524 265 N N 0.600 119.306 118.700 0.011 0.000 2.816 265 N HA 0.342 5.082 4.740 -0.000 0.000 0.236 265 N C 0.657 176.180 175.510 0.020 0.000 1.076 265 N CA -0.218 52.839 53.050 0.012 0.000 0.902 265 N CB 1.191 39.686 38.487 0.014 0.000 1.149 265 N HN -0.005 nan 8.380 nan 0.000 0.506 266 A N 2.039 124.867 122.820 0.014 0.000 1.933 266 A HA -0.107 4.213 4.320 -0.000 0.000 0.218 266 A C 2.140 179.748 177.584 0.040 0.000 1.175 266 A CA 1.591 53.641 52.037 0.021 0.000 0.628 266 A CB -0.320 18.684 19.000 0.007 0.000 0.814 266 A HN 0.581 nan 8.150 nan 0.000 0.444 267 S N -0.295 115.421 115.700 0.027 0.000 2.356 267 S HA -0.036 4.434 4.470 -0.000 0.000 0.223 267 S C 2.307 177.027 174.600 0.201 0.000 1.032 267 S CA 1.231 59.466 58.200 0.058 0.000 1.005 267 S CB -0.431 62.726 63.200 -0.073 0.000 0.867 267 S HN 0.798 nan 8.310 nan 0.000 0.449 268 A N 1.096 123.995 122.820 0.131 0.000 1.930 268 A HA -0.016 4.304 4.320 -0.000 0.000 0.217 268 A C 2.283 179.917 177.584 0.084 0.000 1.175 268 A CA 1.621 53.726 52.037 0.113 0.000 0.627 268 A CB -0.695 18.338 19.000 0.055 0.000 0.815 268 A HN 0.438 nan 8.150 nan 0.000 0.443 269 S N 0.081 115.825 115.700 0.073 0.000 2.383 269 S HA -0.006 4.464 4.470 -0.000 0.000 0.227 269 S C 2.284 176.933 174.600 0.081 0.000 1.026 269 S CA 1.041 59.278 58.200 0.062 0.000 0.981 269 S CB -0.408 62.819 63.200 0.046 0.000 0.818 269 S HN 0.778 nan 8.310 nan 0.000 0.472 270 A N 1.504 124.388 122.820 0.107 0.000 1.877 270 A HA -0.063 4.257 4.320 -0.000 0.000 0.216 270 A C 2.140 179.805 177.584 0.135 0.000 1.186 270 A CA 1.470 53.582 52.037 0.125 0.000 0.620 270 A CB -0.732 18.362 19.000 0.156 0.000 0.822 270 A HN 0.420 nan 8.150 nan 0.000 0.443 271 L N -0.491 120.815 121.223 0.137 0.000 2.005 271 L HA -0.019 4.321 4.340 -0.000 0.000 0.207 271 L C 2.199 179.161 176.870 0.154 0.000 1.072 271 L CA 1.784 56.657 54.840 0.055 0.000 0.744 271 L CB -0.414 41.547 42.059 -0.164 0.000 0.895 271 L HN 0.376 nan 8.230 nan 0.000 0.433 272 L N -0.795 120.491 121.223 0.106 0.000 2.270 272 L HA 0.312 4.652 4.340 -0.000 0.000 0.210 272 L C 1.262 178.222 176.870 0.149 0.000 1.104 272 L CA 0.293 55.213 54.840 0.133 0.000 0.804 272 L CB -0.924 41.136 42.059 0.002 0.000 0.937 272 L HN 0.517 nan 8.230 nan 0.000 0.450 273 G N 1.105 109.966 108.800 0.101 0.000 2.796 273 G HA2 -0.260 3.700 3.960 -0.000 0.000 0.571 273 G HA3 -0.260 3.700 3.960 -0.000 0.000 0.571 273 G C -0.102 174.827 174.900 0.047 0.000 1.370 273 G CA -0.108 45.034 45.100 0.070 0.000 0.856 273 G HN 0.240 nan 8.290 nan 0.000 0.538 274 I N -2.030 118.558 120.570 0.031 0.000 4.025 274 I HA 0.499 4.668 4.170 -0.000 0.000 0.336 274 I C 0.834 176.957 176.117 0.010 0.000 1.390 274 I CA -0.482 60.831 61.300 0.021 0.000 1.099 274 I CB 0.351 38.362 38.000 0.017 0.000 1.049 274 I HN 0.640 nan 8.210 nan 0.000 0.394 275 R N 2.073 122.576 120.500 0.005 0.000 2.410 275 R HA 0.538 4.878 4.340 -0.000 0.000 0.288 275 R C 0.348 176.646 176.300 -0.004 0.000 1.051 275 R CA 0.054 56.149 56.100 -0.009 0.000 1.021 275 R CB 0.797 31.083 30.300 -0.023 0.000 1.032 275 R HN 0.490 nan 8.270 nan 0.000 0.481 276 S N 4.779 120.460 115.700 -0.032 0.000 2.592 276 S HA 0.012 4.482 4.470 -0.000 0.000 0.271 276 S C 1.470 176.057 174.600 -0.022 0.000 1.326 276 S CA -0.670 57.496 58.200 -0.057 0.000 1.024 276 S CB 0.500 63.601 63.200 -0.165 0.000 0.921 276 S HN 0.917 nan 8.310 nan 0.000 0.527 277 W N 2.026 123.292 121.300 -0.057 0.000 2.342 277 W HA -0.214 4.446 4.660 -0.001 0.000 0.297 277 W C 1.059 177.515 176.519 -0.106 0.000 1.213 277 W CA 1.297 58.614 57.345 -0.047 0.000 1.251 277 W CB -1.117 28.352 29.460 0.015 0.000 1.136 277 W HN 0.683 nan 8.180 nan 0.000 0.526 278 Q N 1.085 120.333 119.800 -0.921 0.000 2.124 278 Q HA -0.118 4.222 4.340 -0.000 0.000 0.202 278 Q C 2.365 178.154 176.000 -0.350 0.000 0.977 278 Q CA 3.269 58.394 55.803 -1.130 0.000 0.850 278 Q CB -0.904 27.078 28.738 -1.259 0.000 0.901 278 Q HN 0.183 nan 8.270 nan 0.000 0.429 279 T N 0.340 114.768 114.554 -0.209 0.000 2.746 279 T HA -0.109 4.241 4.350 -0.000 0.000 0.267 279 T C 1.637 176.337 174.700 0.001 0.000 1.039 279 T CA 1.160 63.222 62.100 -0.062 0.000 1.142 279 T CB -0.115 68.720 68.868 -0.055 0.000 0.866 279 T HN 0.233 nan 8.240 nan 0.000 0.444 280 R N 1.071 121.577 120.500 0.011 0.000 2.073 280 R HA 0.003 4.343 4.340 -0.000 0.000 0.234 280 R C 2.858 179.219 176.300 0.102 0.000 1.134 280 R CA 1.375 57.502 56.100 0.045 0.000 0.952 280 R CB -0.544 29.784 30.300 0.047 0.000 0.850 280 R HN 0.364 nan 8.270 nan 0.000 0.433 281 A N 1.130 124.039 122.820 0.148 0.000 1.933 281 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 281 A C 2.105 179.837 177.584 0.247 0.000 1.175 281 A CA 1.176 53.354 52.037 0.234 0.000 0.628 281 A CB -0.465 18.705 19.000 0.284 0.000 0.814 281 A HN 0.204 nan 8.150 nan 0.000 0.444 282 L N -0.585 120.769 121.223 0.218 0.000 2.465 282 L HA -0.031 4.309 4.340 -0.000 0.000 0.224 282 L C 2.110 179.047 176.870 0.111 0.000 1.145 282 L CA 0.177 55.130 54.840 0.188 0.000 0.834 282 L CB -0.303 41.853 42.059 0.162 0.000 0.944 282 L HN 0.375 nan 8.230 nan 0.000 0.451 283 L N -0.501 120.778 121.223 0.094 0.000 2.201 283 L HA -0.206 4.133 4.340 -0.000 0.000 0.212 283 L C 2.347 179.261 176.870 0.074 0.000 1.105 283 L CA 1.144 56.027 54.840 0.072 0.000 0.775 283 L CB -0.313 41.782 42.059 0.060 0.000 0.913 283 L HN 0.240 nan 8.230 nan 0.000 0.440 284 I N 0.054 120.678 120.570 0.091 0.000 2.179 284 I HA -0.329 3.841 4.170 -0.000 0.000 0.242 284 I C 2.698 178.858 176.117 0.072 0.000 1.088 284 I CA 1.475 62.824 61.300 0.082 0.000 1.357 284 I CB -0.328 37.732 38.000 0.100 0.000 1.051 284 I HN 0.235 nan 8.210 nan 0.000 0.409 285 K N 1.594 122.040 120.400 0.077 0.000 2.026 285 K HA -0.193 4.126 4.320 -0.000 0.000 0.208 285 K C 2.242 178.869 176.600 0.045 0.000 1.048 285 K CA 1.544 57.861 56.287 0.049 0.000 0.929 285 K CB -0.203 32.318 32.500 0.034 0.000 0.713 285 K HN 0.256 nan 8.250 nan 0.000 0.439 286 A N 1.569 124.422 122.820 0.054 0.000 1.884 286 A HA -0.196 4.123 4.320 -0.000 0.000 0.219 286 A C 2.186 179.815 177.584 0.075 0.000 1.197 286 A CA 1.862 53.932 52.037 0.056 0.000 0.637 286 A CB -0.848 18.186 19.000 0.057 0.000 0.827 286 A HN 0.384 nan 8.150 nan 0.000 0.450 287 L N -0.823 120.453 121.223 0.087 0.000 2.093 287 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 287 L C 2.478 179.428 176.870 0.133 0.000 1.085 287 L CA 0.929 55.854 54.840 0.142 0.000 0.755 287 L CB -0.455 41.672 42.059 0.113 0.000 0.904 287 L HN 0.401 nan 8.230 nan 0.000 0.435 288 I N -0.002 120.611 120.570 0.071 0.000 2.163 288 I HA -0.317 3.853 4.170 -0.000 0.000 0.243 288 I C 1.934 178.051 176.117 0.001 0.000 1.085 288 I CA 1.307 62.625 61.300 0.030 0.000 1.347 288 I CB -0.381 37.630 38.000 0.019 0.000 1.044 288 I HN 0.257 nan 8.210 nan 0.000 0.408 289 D N 0.358 120.766 120.400 0.012 0.000 2.263 289 D HA -0.146 4.494 4.640 -0.000 0.000 0.208 289 D C 2.074 178.363 176.300 -0.019 0.000 0.971 289 D CA 0.868 54.865 54.000 -0.004 0.000 0.867 289 D CB -0.168 40.636 40.800 0.007 0.000 0.929 289 D HN 0.427 nan 8.370 nan 0.000 0.492 290 Q N -0.643 119.158 119.800 0.001 0.000 2.425 290 Q HA 0.172 4.512 4.340 -0.000 0.000 0.204 290 Q C 1.185 176.989 176.000 -0.328 0.000 0.933 290 Q CA 0.681 56.460 55.803 -0.039 0.000 0.939 290 Q CB 0.870 29.729 28.738 0.202 0.000 1.044 290 Q HN 0.295 nan 8.270 nan 0.000 0.513 291 G N 0.867 109.496 108.800 -0.285 0.000 2.130 291 G HA2 -0.274 3.685 3.960 -0.000 0.000 0.216 291 G HA3 -0.274 3.685 3.960 -0.000 0.000 0.216 291 G C -0.097 174.499 174.900 -0.507 0.000 0.999 291 G CA -0.171 44.699 45.100 -0.384 0.000 0.686 291 G HN 0.419 nan 8.290 nan 0.000 0.515 292 Y N 0.138 120.432 120.300 -0.011 0.000 2.774 292 Y HA 0.337 4.887 4.550 -0.000 0.000 0.305 292 Y C 2.397 178.285 175.900 -0.020 0.000 1.067 292 Y CA 0.040 58.131 58.100 -0.015 0.000 1.304 292 Y CB -0.117 38.334 38.460 -0.015 0.000 1.209 292 Y HN 0.447 nan 8.280 nan 0.000 0.543 293 M N -1.237 118.397 119.600 0.056 0.000 2.202 293 M HA -0.175 4.304 4.480 -0.000 0.000 0.262 293 M C 1.207 177.523 176.300 0.026 0.000 1.063 293 M CA 1.899 57.218 55.300 0.032 0.000 1.097 293 M CB -0.330 32.271 32.600 0.001 0.000 1.382 293 M HN 0.067 nan 8.290 nan 0.000 0.413 294 K N 0.481 120.901 120.400 0.034 0.000 2.432 294 K HA 0.014 4.334 4.320 -0.000 0.000 0.196 294 K C 1.265 177.875 176.600 0.016 0.000 1.038 294 K CA 0.625 56.923 56.287 0.019 0.000 0.986 294 K CB 0.085 32.596 32.500 0.020 0.000 0.782 294 K HN 0.600 nan 8.250 nan 0.000 0.485 295 Q N 0.433 120.258 119.800 0.041 0.000 2.204 295 Q HA 0.216 4.556 4.340 -0.000 0.000 0.209 295 Q C 0.007 175.983 176.000 -0.040 0.000 0.861 295 Q CA 0.177 55.980 55.803 0.000 0.000 0.971 295 Q CB 0.478 29.227 28.738 0.017 0.000 1.095 295 Q HN 0.283 nan 8.270 nan 0.000 0.486 296 I N 1.646 122.196 120.570 -0.033 0.000 2.354 296 I HA 0.338 4.508 4.170 -0.000 0.000 0.292 296 I C -0.468 175.597 176.117 -0.088 0.000 0.989 296 I CA -0.658 60.614 61.300 -0.047 0.000 1.188 296 I CB 1.257 39.252 38.000 -0.009 0.000 1.342 296 I HN -0.070 nan 8.210 nan 0.000 0.457 297 L N 6.780 127.934 121.223 -0.113 0.000 2.362 297 L HA 0.641 4.981 4.340 -0.000 0.000 0.275 297 L C -0.662 176.174 176.870 -0.057 0.000 0.998 297 L CA -0.898 53.868 54.840 -0.124 0.000 0.820 297 L CB 2.159 44.081 42.059 -0.229 0.000 1.270 297 L HN 0.271 nan 8.230 nan 0.000 0.415 298 V N 1.534 121.432 119.914 -0.028 0.000 2.667 298 V HA 0.763 4.883 4.120 -0.000 0.000 0.308 298 V C -0.092 176.043 176.094 0.069 0.000 1.048 298 V CA -0.283 62.035 62.300 0.031 0.000 0.928 298 V CB 1.960 33.811 31.823 0.046 0.000 1.004 298 V HN 0.858 nan 8.190 nan 0.000 0.444 299 S N 0.959 116.726 115.700 0.111 0.000 2.655 299 S HA 0.377 4.847 4.470 -0.000 0.000 0.266 299 S C 0.107 174.815 174.600 0.180 0.000 1.149 299 S CA -0.599 57.691 58.200 0.151 0.000 0.818 299 S CB 1.725 65.017 63.200 0.154 0.000 1.130 299 S HN 0.798 nan 8.310 nan 0.000 0.476 300 N N 0.801 119.632 118.700 0.218 0.000 2.414 300 N HA 0.061 4.801 4.740 -0.000 0.000 0.177 300 N C -0.621 175.107 175.510 0.365 0.000 1.062 300 N CA 0.304 53.521 53.050 0.278 0.000 0.890 300 N CB 0.032 38.680 38.487 0.270 0.000 1.070 300 N HN 0.731 nan 8.380 nan 0.000 0.454 301 D N -0.023 120.555 120.400 0.296 0.000 2.723 301 D HA -0.177 4.463 4.640 -0.000 0.000 0.236 301 D C -0.616 175.944 176.300 0.432 0.000 1.138 301 D CA 0.349 54.538 54.000 0.315 0.000 0.676 301 D CB -1.205 39.557 40.800 -0.063 0.000 1.069 301 D HN 0.375 nan 8.370 nan 0.000 0.430 302 W N -0.429 120.934 121.300 0.104 0.000 2.253 302 W HA 0.514 5.174 4.660 0.000 0.000 0.348 302 W C -0.010 176.393 176.519 -0.193 0.000 1.229 302 W CA -0.558 56.758 57.345 -0.048 0.000 1.335 302 W CB 0.712 30.091 29.460 -0.135 0.000 1.165 302 W HN -0.014 nan 8.180 nan 0.000 0.631 303 L N 1.454 122.203 121.223 -0.790 0.000 2.415 303 L HA 0.361 4.700 4.340 -0.000 0.000 0.256 303 L C -0.049 176.337 176.870 -0.806 0.000 1.010 303 L CA -0.505 53.929 54.840 -0.676 0.000 0.826 303 L CB 1.263 42.956 42.059 -0.610 0.000 1.405 303 L HN 0.269 nan 8.230 nan 0.000 0.410 304 F N -0.386 119.543 119.950 -0.036 0.000 2.678 304 F HA 0.543 5.069 4.527 -0.001 0.000 0.291 304 F C 1.189 177.011 175.800 0.037 0.000 1.123 304 F CA -0.236 57.776 58.000 0.020 0.000 1.395 304 F CB 0.351 39.374 39.000 0.038 0.000 1.121 304 F HN 0.489 nan 8.300 nan 0.000 0.592 305 G N -0.894 107.992 108.800 0.142 0.000 2.619 305 G HA2 0.506 4.466 3.960 -0.000 0.000 0.296 305 G HA3 0.506 4.466 3.960 -0.000 0.000 0.296 305 G C -2.031 173.068 174.900 0.332 0.000 1.334 305 G CA -0.338 44.938 45.100 0.293 0.000 0.934 305 G HN -0.147 nan 8.290 nan 0.000 0.476 306 F N 2.226 122.348 119.950 0.287 0.000 3.228 306 F HA 0.325 4.852 4.527 -0.000 0.000 0.390 306 F C 1.048 176.949 175.800 0.169 0.000 1.235 306 F CA -1.631 56.433 58.000 0.107 0.000 1.236 306 F CB 1.170 40.141 39.000 -0.050 0.000 1.855 306 F HN 0.450 nan 8.300 nan 0.000 0.647 307 S N 0.312 116.206 115.700 0.323 0.000 2.470 307 S HA -0.057 4.413 4.470 -0.000 0.000 0.225 307 S C 1.414 175.800 174.600 -0.357 0.000 1.006 307 S CA 0.806 58.844 58.200 -0.269 0.000 0.934 307 S CB -0.328 62.282 63.200 -0.984 0.000 0.778 307 S HN 0.484 nan 8.310 nan 0.000 0.517 308 S N -0.092 115.562 115.700 -0.077 0.000 2.840 308 S HA 0.356 4.826 4.470 -0.000 0.000 0.235 308 S C -0.293 174.295 174.600 -0.020 0.000 0.968 308 S CA -0.594 57.598 58.200 -0.013 0.000 1.026 308 S CB -0.756 62.604 63.200 0.266 0.000 0.788 308 S HN 0.590 nan 8.310 nan 0.000 0.487 309 Y N 0.305 120.311 120.300 -0.491 0.000 2.896 309 Y HA 0.521 5.071 4.550 -0.000 0.000 0.317 309 Y C -0.275 175.412 175.900 -0.355 0.000 1.444 309 Y CA -1.573 56.214 58.100 -0.522 0.000 1.084 309 Y CB 0.941 38.765 38.460 -1.060 0.000 1.382 309 Y HN 0.116 nan 8.280 nan 0.000 0.471 310 V N 0.490 120.060 119.914 -0.573 0.000 2.999 310 V HA 0.270 4.390 4.120 -0.000 0.000 0.307 310 V C -0.007 176.000 176.094 -0.144 0.000 1.084 310 V CA -0.422 61.674 62.300 -0.339 0.000 1.155 310 V CB -0.002 31.603 31.823 -0.363 0.000 0.975 310 V HN 0.741 nan 8.190 nan 0.000 0.490 311 T N 4.609 119.116 114.554 -0.079 0.000 2.928 311 T HA 0.183 4.533 4.350 -0.000 0.000 0.305 311 T C 0.892 175.542 174.700 -0.084 0.000 1.035 311 T CA 1.123 63.197 62.100 -0.043 0.000 1.145 311 T CB -0.485 68.358 68.868 -0.042 0.000 0.963 311 T HN 1.096 nan 8.240 nan 0.000 0.545 312 N N -0.328 118.305 118.700 -0.112 0.000 2.878 312 N HA -0.192 4.548 4.740 -0.000 0.000 0.247 312 N C 0.841 176.328 175.510 -0.038 0.000 1.021 312 N CA 0.413 53.413 53.050 -0.084 0.000 0.873 312 N CB -1.174 37.267 38.487 -0.077 0.000 1.128 312 N HN 0.560 nan 8.380 nan 0.000 0.571 313 I N 0.686 121.239 120.570 -0.029 0.000 2.264 313 I HA -0.216 3.954 4.170 -0.000 0.000 0.248 313 I C 2.128 178.248 176.117 0.005 0.000 1.111 313 I CA 1.655 62.955 61.300 0.000 0.000 1.382 313 I CB -0.099 37.910 38.000 0.014 0.000 1.060 313 I HN 0.306 nan 8.210 nan 0.000 0.418 314 M N -0.312 119.304 119.600 0.027 0.000 2.159 314 M HA -0.210 4.269 4.480 -0.000 0.000 0.263 314 M C 1.802 178.119 176.300 0.029 0.000 1.063 314 M CA 1.652 56.966 55.300 0.023 0.000 1.110 314 M CB -1.049 31.596 32.600 0.075 0.000 1.374 314 M HN 0.255 nan 8.290 nan 0.000 0.411 315 D N 0.095 120.510 120.400 0.024 0.000 2.097 315 D HA -0.112 4.528 4.640 -0.000 0.000 0.195 315 D C 2.138 178.461 176.300 0.037 0.000 0.989 315 D CA 1.066 55.086 54.000 0.033 0.000 0.827 315 D CB -0.450 40.356 40.800 0.009 0.000 0.966 315 D HN 0.132 nan 8.370 nan 0.000 0.456 316 V N 1.058 120.983 119.914 0.019 0.000 2.282 316 V HA -0.302 3.818 4.120 -0.000 0.000 0.249 316 V C 2.518 178.633 176.094 0.035 0.000 1.057 316 V CA 1.680 63.992 62.300 0.020 0.000 1.032 316 V CB -0.489 31.340 31.823 0.009 0.000 0.645 316 V HN 0.233 nan 8.190 nan 0.000 0.447 317 M N -0.500 119.111 119.600 0.017 0.000 2.175 317 M HA -0.154 4.326 4.480 -0.000 0.000 0.264 317 M C 1.929 178.420 176.300 0.318 0.000 1.063 317 M CA 1.665 56.996 55.300 0.052 0.000 1.119 317 M CB -0.620 31.813 32.600 -0.279 0.000 1.377 317 M HN 0.319 nan 8.290 nan 0.000 0.415 318 D N 0.098 120.659 120.400 0.268 0.000 2.219 318 D HA -0.078 4.562 4.640 -0.000 0.000 0.205 318 D C 2.043 178.437 176.300 0.156 0.000 0.970 318 D CA 0.975 55.161 54.000 0.310 0.000 0.851 318 D CB -0.168 40.778 40.800 0.244 0.000 0.943 318 D HN 0.367 nan 8.370 nan 0.000 0.488 319 R N 0.196 120.759 120.500 0.105 0.000 2.093 319 R HA 0.006 4.346 4.340 -0.000 0.000 0.224 319 R C 2.359 178.682 176.300 0.038 0.000 1.101 319 R CA 0.319 56.454 56.100 0.058 0.000 0.979 319 R CB -0.135 30.191 30.300 0.043 0.000 0.877 319 R HN 0.051 nan 8.270 nan 0.000 0.441 320 V N 1.488 121.431 119.914 0.048 0.000 2.295 320 V HA -0.199 3.921 4.120 -0.000 0.000 0.246 320 V C 0.739 176.794 176.094 -0.066 0.000 1.049 320 V CA 1.518 63.825 62.300 0.011 0.000 1.024 320 V CB -0.467 31.371 31.823 0.024 0.000 0.648 320 V HN 0.345 nan 8.190 nan 0.000 0.447 321 N N -0.520 118.125 118.700 -0.091 0.000 2.727 321 N HA 0.267 5.007 4.740 -0.000 0.000 0.252 321 N C -2.236 173.109 175.510 -0.275 0.000 1.283 321 N CA -1.655 51.186 53.050 -0.349 0.000 0.782 321 N CB 1.598 39.573 38.487 -0.854 0.000 1.199 321 N HN 0.010 nan 8.380 nan 0.000 0.520 322 P HA -0.004 nan 4.420 nan 0.000 0.222 322 P C 0.366 177.607 177.300 -0.097 0.000 1.147 322 P CA 0.818 63.883 63.100 -0.057 0.000 0.790 322 P CB 0.406 32.094 31.700 -0.020 0.000 0.780 323 D N -0.864 119.443 120.400 -0.154 0.000 2.264 323 D HA -0.033 4.607 4.640 -0.000 0.000 0.208 323 D C 1.749 177.907 176.300 -0.236 0.000 0.966 323 D CA 1.405 55.323 54.000 -0.136 0.000 0.864 323 D CB -0.557 40.205 40.800 -0.062 0.000 0.933 323 D HN 0.099 nan 8.370 nan 0.000 0.499 324 G N 1.500 109.957 108.800 -0.572 0.000 2.651 324 G HA2 -0.424 3.536 3.960 -0.000 0.000 0.315 324 G HA3 -0.424 3.536 3.960 -0.000 0.000 0.315 324 G C 1.097 175.623 174.900 -0.623 0.000 1.258 324 G CA 0.707 45.154 45.100 -1.088 0.000 1.002 324 G HN 0.287 nan 8.290 nan 0.000 0.551 325 M N 1.349 120.844 119.600 -0.175 0.000 2.460 325 M HA 0.108 4.588 4.480 -0.000 0.000 0.263 325 M C 2.724 179.028 176.300 0.007 0.000 1.071 325 M CA 1.484 56.794 55.300 0.016 0.000 1.096 325 M CB -0.174 32.520 32.600 0.157 0.000 1.408 325 M HN 0.654 nan 8.290 nan 0.000 0.463 326 A N -0.538 122.257 122.820 -0.042 0.000 2.206 326 A HA -0.069 4.251 4.320 -0.000 0.000 0.211 326 A C 1.773 179.303 177.584 -0.090 0.000 1.158 326 A CA 0.319 52.313 52.037 -0.073 0.000 0.761 326 A CB -0.811 18.141 19.000 -0.081 0.000 0.801 326 A HN 0.510 nan 8.150 nan 0.000 0.473 327 F N 0.786 120.594 119.950 -0.237 0.000 2.134 327 F HA -0.182 4.346 4.527 0.001 0.000 0.299 327 F C 1.850 177.529 175.800 -0.201 0.000 1.097 327 F CA 1.337 59.162 58.000 -0.291 0.000 1.264 327 F CB -0.019 38.741 39.000 -0.401 0.000 1.001 327 F HN 0.168 nan 8.300 nan 0.000 0.479 328 I N 2.024 122.578 120.570 -0.026 0.000 2.069 328 I HA -0.231 3.938 4.170 -0.000 0.000 0.237 328 I C -0.203 175.882 176.117 -0.054 0.000 1.053 328 I CA 1.945 63.244 61.300 -0.001 0.000 1.311 328 I CB -2.942 35.174 38.000 0.194 0.000 1.030 328 I HN 0.121 nan 8.210 nan 0.000 0.398 329 P HA -0.111 nan 4.420 nan 0.000 0.217 329 P C 2.246 179.457 177.300 -0.149 0.000 1.151 329 P CA 1.471 64.510 63.100 -0.101 0.000 0.828 329 P CB 0.001 31.485 31.700 -0.361 0.000 0.788 330 L N -1.433 119.660 121.223 -0.217 0.000 2.109 330 L HA -0.041 4.299 4.340 -0.000 0.000 0.207 330 L C 2.819 179.517 176.870 -0.286 0.000 1.086 330 L CA 1.272 55.979 54.840 -0.222 0.000 0.760 330 L CB -0.412 41.519 42.059 -0.213 0.000 0.910 330 L HN -0.077 nan 8.230 nan 0.000 0.437 331 R N -1.260 118.925 120.500 -0.525 0.000 2.215 331 R HA 0.132 4.472 4.340 -0.000 0.000 0.190 331 R C 2.131 178.176 176.300 -0.426 0.000 0.968 331 R CA 0.547 56.250 56.100 -0.661 0.000 1.122 331 R CB -0.456 28.978 30.300 -1.443 0.000 1.151 331 R HN 0.076 nan 8.270 nan 0.000 0.582 332 V N 2.350 121.969 119.914 -0.492 0.000 2.270 332 V HA -0.189 3.931 4.120 -0.000 0.000 0.245 332 V C 2.401 178.585 176.094 0.150 0.000 1.043 332 V CA 1.529 63.804 62.300 -0.041 0.000 1.014 332 V CB -0.402 31.421 31.823 -0.001 0.000 0.645 332 V HN 0.082 nan 8.190 nan 0.000 0.447 333 I N 0.067 120.681 120.570 0.073 0.000 2.252 333 I HA -0.080 4.089 4.170 -0.000 0.000 0.245 333 I C 0.006 176.185 176.117 0.103 0.000 1.102 333 I CA 1.320 62.686 61.300 0.110 0.000 1.385 333 I CB -2.614 35.459 38.000 0.123 0.000 1.064 333 I HN 0.338 nan 8.210 nan 0.000 0.414 334 P HA -0.169 nan 4.420 nan 0.000 0.217 334 P C 2.026 179.410 177.300 0.141 0.000 1.151 334 P CA 1.090 64.239 63.100 0.083 0.000 0.828 334 P CB -0.190 31.541 31.700 0.053 0.000 0.788 335 F N 0.446 120.443 119.950 0.078 0.000 2.126 335 F HA -0.184 4.343 4.527 -0.000 0.000 0.299 335 F C 1.829 177.673 175.800 0.074 0.000 1.096 335 F CA 1.572 59.645 58.000 0.123 0.000 1.255 335 F CB -0.873 38.296 39.000 0.282 0.000 0.997 335 F HN -0.251 nan 8.300 nan 0.000 0.479 336 L N -0.280 121.011 121.223 0.114 0.000 2.072 336 L HA -0.145 4.194 4.340 -0.000 0.000 0.205 336 L C 2.739 179.558 176.870 -0.086 0.000 1.079 336 L CA 1.007 55.824 54.840 -0.039 0.000 0.752 336 L CB -0.734 41.384 42.059 0.098 0.000 0.906 336 L HN 0.029 nan 8.230 nan 0.000 0.436 337 R N 0.080 120.565 120.500 -0.026 0.000 2.112 337 R HA -0.228 4.111 4.340 -0.000 0.000 0.242 337 R C 2.259 178.514 176.300 -0.075 0.000 1.137 337 R CA 1.715 57.795 56.100 -0.033 0.000 0.944 337 R CB -0.406 29.893 30.300 -0.002 0.000 0.857 337 R HN 0.312 nan 8.270 nan 0.000 0.435 338 E N 0.632 120.773 120.200 -0.099 0.000 2.209 338 E HA -0.178 4.172 4.350 -0.000 0.000 0.196 338 E C 1.151 177.640 176.600 -0.186 0.000 0.993 338 E CA 1.113 57.439 56.400 -0.123 0.000 0.819 338 E CB 0.193 29.827 29.700 -0.109 0.000 0.745 338 E HN 0.077 nan 8.360 nan 0.000 0.477 339 K N -0.974 119.259 120.400 -0.278 0.000 2.444 339 K HA 0.073 4.393 4.320 -0.000 0.000 0.193 339 K C 1.145 177.654 176.600 -0.152 0.000 1.024 339 K CA 0.695 56.818 56.287 -0.274 0.000 1.077 339 K CB 0.714 32.961 32.500 -0.421 0.000 0.833 339 K HN 0.279 nan 8.250 nan 0.000 0.517 340 G N 0.518 109.251 108.800 -0.112 0.000 2.201 340 G HA2 -0.228 3.731 3.960 -0.000 0.000 0.212 340 G HA3 -0.228 3.731 3.960 -0.000 0.000 0.212 340 G C 0.109 174.979 174.900 -0.051 0.000 0.994 340 G CA -0.051 45.007 45.100 -0.070 0.000 0.644 340 G HN 0.082 nan 8.290 nan 0.000 0.508 341 V N 3.011 122.894 119.914 -0.051 0.000 2.485 341 V HA 0.299 4.418 4.120 -0.000 0.000 0.287 341 V C -1.356 174.727 176.094 -0.017 0.000 1.022 341 V CA -0.711 61.573 62.300 -0.027 0.000 1.067 341 V CB 0.747 32.562 31.823 -0.013 0.000 0.967 341 V HN 0.182 nan 8.190 nan 0.000 0.479 342 P HA 0.035 nan 4.420 nan 0.000 0.264 342 P C 0.605 177.905 177.300 -0.001 0.000 1.193 342 P CA 0.101 63.196 63.100 -0.009 0.000 0.763 342 P CB 0.610 32.304 31.700 -0.011 0.000 0.810 343 Q N 3.203 123.005 119.800 0.003 0.000 2.096 343 Q HA -0.285 4.055 4.340 -0.000 0.000 0.208 343 Q C 1.351 177.357 176.000 0.011 0.000 0.993 343 Q CA 2.255 58.066 55.803 0.013 0.000 0.862 343 Q CB -0.488 28.259 28.738 0.015 0.000 0.915 343 Q HN 0.445 nan 8.270 nan 0.000 0.416 344 E N -1.158 119.044 120.200 0.004 0.000 2.204 344 E HA -0.127 4.223 4.350 -0.000 0.000 0.195 344 E C 1.909 178.505 176.600 -0.006 0.000 0.990 344 E CA 1.592 57.993 56.400 0.000 0.000 0.821 344 E CB -0.244 29.454 29.700 -0.002 0.000 0.750 344 E HN 0.354 nan 8.360 nan 0.000 0.477 345 T N 0.706 115.256 114.554 -0.007 0.000 2.867 345 T HA -0.026 4.323 4.350 -0.000 0.000 0.268 345 T C 1.759 176.452 174.700 -0.012 0.000 1.057 345 T CA 0.669 62.763 62.100 -0.010 0.000 1.136 345 T CB -0.105 68.759 68.868 -0.008 0.000 0.874 345 T HN 0.084 nan 8.240 nan 0.000 0.466 346 L N 0.728 121.949 121.223 -0.004 0.000 2.056 346 L HA -0.001 4.339 4.340 -0.000 0.000 0.207 346 L C 3.078 179.926 176.870 -0.036 0.000 1.078 346 L CA 1.130 55.967 54.840 -0.004 0.000 0.749 346 L CB -0.685 41.391 42.059 0.029 0.000 0.901 346 L HN 0.219 nan 8.230 nan 0.000 0.433 347 A N 0.479 123.287 122.820 -0.019 0.000 1.902 347 A HA -0.138 4.182 4.320 -0.000 0.000 0.217 347 A C 2.398 179.944 177.584 -0.064 0.000 1.181 347 A CA 1.738 53.753 52.037 -0.036 0.000 0.623 347 A CB -1.286 17.715 19.000 0.001 0.000 0.818 347 A HN 0.447 nan 8.150 nan 0.000 0.443 348 G N -0.164 108.610 108.800 -0.044 0.000 2.442 348 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.219 348 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.219 348 G C 1.504 176.365 174.900 -0.064 0.000 1.141 348 G CA 1.164 46.238 45.100 -0.044 0.000 0.763 348 G HN 0.495 nan 8.290 nan 0.000 0.554 349 I N 1.168 121.692 120.570 -0.077 0.000 2.333 349 I HA -0.097 4.073 4.170 -0.000 0.000 0.246 349 I C 3.049 179.068 176.117 -0.164 0.000 1.106 349 I CA 1.683 62.927 61.300 -0.092 0.000 1.411 349 I CB -0.172 37.789 38.000 -0.065 0.000 1.082 349 I HN 0.299 nan 8.210 nan 0.000 0.420 350 T N -2.782 111.611 114.554 -0.267 0.000 3.067 350 T HA 0.109 4.458 4.350 -0.000 0.000 0.257 350 T C 1.423 175.850 174.700 -0.456 0.000 1.105 350 T CA 0.464 62.241 62.100 -0.539 0.000 1.104 350 T CB 0.117 68.328 68.868 -1.095 0.000 0.925 350 T HN 0.108 nan 8.240 nan 0.000 0.498 351 V N 0.742 120.510 119.914 -0.244 0.000 2.950 351 V HA 0.063 4.183 4.120 -0.000 0.000 0.231 351 V C 2.773 178.829 176.094 -0.063 0.000 1.205 351 V CA 1.090 63.315 62.300 -0.124 0.000 1.239 351 V CB -0.306 31.479 31.823 -0.063 0.000 1.050 351 V HN 0.368 nan 8.190 nan 0.000 0.498 352 T N 0.932 115.454 114.554 -0.054 0.000 2.812 352 T HA -0.111 4.239 4.350 -0.000 0.000 0.264 352 T C 1.788 176.479 174.700 -0.016 0.000 1.042 352 T CA 1.694 63.778 62.100 -0.026 0.000 1.140 352 T CB -0.285 68.570 68.868 -0.022 0.000 0.870 352 T HN 0.312 nan 8.240 nan 0.000 0.445 353 N N 1.496 120.177 118.700 -0.031 0.000 2.084 353 N HA -0.032 4.708 4.740 -0.000 0.000 0.190 353 N C -0.998 174.522 175.510 0.016 0.000 1.030 353 N CA 1.116 54.154 53.050 -0.020 0.000 0.849 353 N CB -1.444 37.010 38.487 -0.056 0.000 1.012 353 N HN 0.315 nan 8.380 nan 0.000 0.423 354 P HA 0.000 nan 4.420 nan 0.000 0.218 354 P C 1.021 178.384 177.300 0.105 0.000 1.149 354 P CA 1.307 64.451 63.100 0.072 0.000 0.817 354 P CB -0.049 31.666 31.700 0.024 0.000 0.785 355 A N 0.282 123.130 122.820 0.046 0.000 1.865 355 A HA -0.250 4.070 4.320 -0.000 0.000 0.217 355 A C 2.440 180.046 177.584 0.037 0.000 1.191 355 A CA 1.875 53.930 52.037 0.030 0.000 0.623 355 A CB -1.306 17.700 19.000 0.009 0.000 0.826 355 A HN 0.036 nan 8.150 nan 0.000 0.444 356 R N -1.857 118.672 120.500 0.049 0.000 2.081 356 R HA -0.164 4.175 4.340 -0.000 0.000 0.235 356 R C 1.982 178.336 176.300 0.091 0.000 1.131 356 R CA 1.860 57.990 56.100 0.050 0.000 0.960 356 R CB -0.427 29.899 30.300 0.045 0.000 0.856 356 R HN 0.513 nan 8.270 nan 0.000 0.436 357 F N 1.011 120.935 119.950 -0.043 0.000 2.113 357 F HA -0.100 4.427 4.527 -0.001 0.000 0.297 357 F C 1.772 177.541 175.800 -0.052 0.000 1.103 357 F CA 1.409 59.380 58.000 -0.048 0.000 1.248 357 F CB -0.195 38.779 39.000 -0.042 0.000 0.999 357 F HN -0.027 nan 8.300 nan 0.000 0.475 358 L N -0.484 120.715 121.223 -0.040 0.000 2.240 358 L HA -0.022 4.317 4.340 -0.000 0.000 0.211 358 L C 0.981 177.761 176.870 -0.150 0.000 1.106 358 L CA 0.181 54.921 54.840 -0.166 0.000 0.793 358 L CB -0.677 41.359 42.059 -0.039 0.000 0.927 358 L HN -0.111 nan 8.230 nan 0.000 0.446 359 S N 1.235 116.880 115.700 -0.091 0.000 2.555 359 S HA 0.077 4.546 4.470 -0.000 0.000 0.293 359 S C -2.156 172.379 174.600 -0.109 0.000 1.248 359 S CA -0.865 57.286 58.200 -0.082 0.000 1.096 359 S CB 0.133 63.303 63.200 -0.050 0.000 0.881 359 S HN -0.015 nan 8.310 nan 0.000 0.498 360 P HA 0.148 nan 4.420 nan 0.000 0.267 360 P C -0.740 176.507 177.300 -0.087 0.000 1.209 360 P CA 0.105 63.138 63.100 -0.111 0.000 0.763 360 P CB 0.442 32.086 31.700 -0.093 0.000 0.816 361 T N 4.491 118.988 114.554 -0.094 0.000 2.965 361 T HA 0.375 4.725 4.350 -0.000 0.000 0.306 361 T C -0.097 174.563 174.700 -0.067 0.000 0.991 361 T CA -0.536 61.521 62.100 -0.072 0.000 1.001 361 T CB 0.321 69.147 68.868 -0.069 0.000 0.984 361 T HN 0.102 nan 8.240 nan 0.000 0.446 362 L N 2.602 123.794 121.223 -0.051 0.000 2.375 362 L HA 0.518 4.858 4.340 -0.000 0.000 0.271 362 L C 1.134 177.982 176.870 -0.037 0.000 1.107 362 L CA -0.970 53.844 54.840 -0.043 0.000 0.806 362 L CB 0.742 42.781 42.059 -0.034 0.000 1.146 362 L HN 0.393 nan 8.230 nan 0.000 0.447 363 R N 0.716 121.196 120.500 -0.033 0.000 2.738 363 R HA 0.376 4.716 4.340 -0.000 0.000 0.268 363 R C 0.031 176.318 176.300 -0.021 0.000 1.062 363 R CA -0.139 55.945 56.100 -0.027 0.000 1.158 363 R CB 0.757 31.043 30.300 -0.023 0.000 1.046 363 R HN 0.786 nan 8.270 nan 0.000 0.493 364 A N 0.000 122.809 122.820 -0.018 0.000 2.254 364 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 364 A CA 0.000 52.029 52.037 -0.014 0.000 0.836 364 A CB 0.000 18.992 19.000 -0.013 0.000 0.831 364 A HN 0.000 nan 8.150 nan 0.000 0.486