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 3dqt_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPXXXXXXXX DATA SEQUENCE XXXPPAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RNLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW 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 67 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.966 3.960 0.010 0.000 0.244 67 G C 0.000 174.846 174.900 -0.090 0.000 0.946 67 G CA 0.000 45.082 45.100 -0.030 0.000 0.502 68 P HA 0.406 nan 4.420 nan 0.000 0.271 68 P C -0.567 176.712 177.300 -0.035 0.000 1.216 68 P CA 0.047 63.024 63.100 -0.206 0.000 0.771 68 P CB 0.850 32.166 31.700 -0.640 0.000 0.864 69 K N 2.551 122.894 120.400 -0.094 0.000 3.226 69 K HA 0.245 4.571 4.320 0.010 0.000 0.268 69 K C -0.604 175.708 176.600 -0.480 0.000 1.217 69 K CA -0.004 56.135 56.287 -0.248 0.000 1.242 69 K CB -0.443 31.867 32.500 -0.317 0.000 1.389 69 K HN 0.372 nan 8.250 nan 0.000 0.406 70 F N -0.111 119.869 119.950 0.049 0.000 2.603 70 F HA 0.344 4.877 4.527 0.010 0.000 0.317 70 F C -2.209 173.694 175.800 0.171 0.000 1.066 70 F CA -3.176 54.874 58.000 0.083 0.000 0.941 70 F CB 0.815 39.864 39.000 0.083 0.000 1.291 70 F HN -0.090 nan 8.300 nan 0.000 0.472 71 P HA 0.019 nan 4.420 nan 0.000 0.261 71 P C -0.861 176.534 177.300 0.158 0.000 1.173 71 P CA 0.026 63.234 63.100 0.181 0.000 0.760 71 P CB 0.430 32.207 31.700 0.128 0.000 0.783 72 R N 3.138 123.665 120.500 0.045 0.000 2.255 72 R HA 0.417 4.763 4.340 0.010 0.000 0.326 72 R C -1.263 174.941 176.300 -0.159 0.000 0.986 72 R CA -0.602 55.357 56.100 -0.236 0.000 0.847 72 R CB 0.536 30.717 30.300 -0.198 0.000 1.111 72 R HN 0.211 nan 8.270 nan 0.000 0.452 73 V N 5.111 124.899 119.914 -0.210 0.000 2.398 73 V HA 0.367 4.493 4.120 0.010 0.000 0.286 73 V C -0.138 175.875 176.094 -0.135 0.000 1.026 73 V CA -0.686 61.561 62.300 -0.090 0.000 0.868 73 V CB 1.342 33.147 31.823 -0.030 0.000 0.982 73 V HN 0.727 nan 8.190 nan 0.000 0.443 74 K N 3.770 124.115 120.400 -0.092 0.000 2.267 74 K HA 0.451 4.777 4.320 0.010 0.000 0.246 74 K C -0.680 175.834 176.600 -0.143 0.000 0.954 74 K CA -0.756 55.397 56.287 -0.223 0.000 0.824 74 K CB 1.641 33.854 32.500 -0.478 0.000 1.167 74 K HN 0.693 nan 8.250 nan 0.000 0.431 75 N N 3.853 122.442 118.700 -0.185 0.000 2.476 75 N HA 0.117 4.863 4.740 0.010 0.000 0.257 75 N C -0.484 174.975 175.510 -0.086 0.000 0.970 75 N CA -0.422 52.629 53.050 0.001 0.000 0.938 75 N CB 0.462 38.974 38.487 0.042 0.000 1.144 75 N HN 0.665 nan 8.380 nan 0.000 0.500 76 W N 2.047 123.431 121.300 0.140 0.000 2.961 76 W HA 0.140 4.806 4.660 0.010 0.000 0.240 76 W C 1.931 178.498 176.519 0.081 0.000 1.305 76 W CA -0.169 57.247 57.345 0.118 0.000 1.465 76 W CB 0.285 29.836 29.460 0.152 0.000 1.135 76 W HN 0.627 nan 8.180 nan 0.000 0.688 77 E N 0.351 120.678 120.200 0.212 0.000 2.045 77 E HA -0.056 4.300 4.350 0.010 0.000 0.190 77 E C 1.760 178.382 176.600 0.037 0.000 0.968 77 E CA 0.787 57.226 56.400 0.065 0.000 0.813 77 E CB -0.253 29.466 29.700 0.032 0.000 0.780 77 E HN 0.222 nan 8.360 nan 0.000 0.455 78 L N -0.348 120.895 121.223 0.034 0.000 2.558 78 L HA 0.231 4.577 4.340 0.010 0.000 0.225 78 L C 1.474 178.322 176.870 -0.036 0.000 1.128 78 L CA 0.482 55.324 54.840 0.002 0.000 0.868 78 L CB 0.227 42.292 42.059 0.009 0.000 1.006 78 L HN 0.402 nan 8.230 nan 0.000 0.454 79 G N 0.516 109.270 108.800 -0.076 0.000 2.166 79 G HA2 -0.330 3.636 3.960 0.010 0.000 0.260 79 G HA3 -0.330 3.636 3.960 0.010 0.000 0.260 79 G C 0.431 175.230 174.900 -0.167 0.000 0.986 79 G CA 0.518 45.525 45.100 -0.155 0.000 0.683 79 G HN 0.504 nan 8.290 nan 0.000 0.527 80 S N -0.245 115.379 115.700 -0.128 0.000 2.601 80 S HA 0.781 5.257 4.470 0.010 0.000 0.271 80 S C 0.174 174.680 174.600 -0.157 0.000 1.305 80 S CA -0.724 57.409 58.200 -0.112 0.000 1.022 80 S CB 2.006 65.168 63.200 -0.065 0.000 0.940 80 S HN 0.423 nan 8.310 nan 0.000 0.525 81 I N 1.986 122.471 120.570 -0.143 0.000 2.646 81 I HA 0.617 4.793 4.170 0.010 0.000 0.299 81 I C 0.263 176.275 176.117 -0.174 0.000 1.036 81 I CA -0.192 60.990 61.300 -0.197 0.000 1.074 81 I CB 1.770 39.647 38.000 -0.205 0.000 1.258 81 I HN 1.090 nan 8.210 nan 0.000 0.430 82 T N 1.584 115.981 114.554 -0.261 0.000 2.843 82 T HA 0.676 5.032 4.350 0.010 0.000 0.302 82 T C -1.435 173.055 174.700 -0.350 0.000 1.232 82 T CA -0.704 61.290 62.100 -0.178 0.000 1.009 82 T CB 1.838 70.659 68.868 -0.078 0.000 1.254 82 T HN 0.260 nan 8.240 nan 0.000 0.504 83 Y N 0.270 120.551 120.300 -0.031 0.000 2.409 83 Y HA 0.533 5.088 4.550 0.010 0.000 0.343 83 Y C -0.056 175.805 175.900 -0.066 0.000 0.973 83 Y CA -0.902 57.187 58.100 -0.020 0.000 1.064 83 Y CB 1.806 40.252 38.460 -0.023 0.000 1.207 83 Y HN 0.729 nan 8.280 nan 0.000 0.452 84 D N 1.756 122.224 120.400 0.113 0.000 2.359 84 D HA 0.110 4.756 4.640 0.010 0.000 0.230 84 D C 0.558 176.839 176.300 -0.031 0.000 1.118 84 D CA 0.030 54.055 54.000 0.041 0.000 0.844 84 D CB 1.317 42.171 40.800 0.091 0.000 1.059 84 D HN 0.796 nan 8.370 nan 0.000 0.493 85 T N 1.020 115.441 114.554 -0.222 0.000 3.023 85 T HA -0.026 4.330 4.350 0.010 0.000 0.253 85 T C 1.743 176.355 174.700 -0.146 0.000 1.038 85 T CA -0.253 61.590 62.100 -0.428 0.000 0.962 85 T CB 0.117 68.504 68.868 -0.802 0.000 1.018 85 T HN 0.258 nan 8.240 nan 0.000 0.521 86 L N 2.299 123.461 121.223 -0.102 0.000 2.217 86 L HA 0.137 4.483 4.340 0.010 0.000 0.211 86 L C 2.550 179.327 176.870 -0.155 0.000 1.107 86 L CA 1.042 55.854 54.840 -0.047 0.000 0.783 86 L CB -0.896 41.199 42.059 0.060 0.000 0.919 86 L HN 0.627 nan 8.230 nan 0.000 0.442 87 C N -1.234 117.797 119.300 -0.448 0.000 2.409 87 C HA 0.047 4.513 4.460 0.010 0.000 0.284 87 C C 2.735 177.511 174.990 -0.358 0.000 1.354 87 C CA 0.258 58.700 59.018 -0.959 0.000 1.787 87 C CB -2.188 24.992 27.740 -0.933 0.000 1.900 87 C HN 0.583 nan 8.230 nan 0.000 0.520 88 A N 0.186 122.935 122.820 -0.118 0.000 2.119 88 A HA -0.075 4.251 4.320 0.010 0.000 0.217 88 A C 2.280 179.860 177.584 -0.007 0.000 1.153 88 A CA 1.182 53.210 52.037 -0.015 0.000 0.692 88 A CB -0.599 18.457 19.000 0.094 0.000 0.799 88 A HN 0.802 nan 8.150 nan 0.000 0.458 89 Q N -0.071 119.725 119.800 -0.007 0.000 2.435 89 Q HA 0.023 4.369 4.340 0.010 0.000 0.207 89 Q C 0.682 176.714 176.000 0.053 0.000 0.956 89 Q CA 0.334 56.157 55.803 0.033 0.000 0.917 89 Q CB 0.008 28.776 28.738 0.049 0.000 0.997 89 Q HN 0.524 nan 8.270 nan 0.000 0.497 90 S N 0.680 116.408 115.700 0.047 0.000 2.481 90 S HA 0.004 4.480 4.470 0.010 0.000 0.282 90 S C 0.447 175.084 174.600 0.061 0.000 1.243 90 S CA -0.056 58.198 58.200 0.091 0.000 1.078 90 S CB 0.599 63.873 63.200 0.123 0.000 0.916 90 S HN 0.246 nan 8.310 nan 0.000 0.495 91 Q N 2.799 122.638 119.800 0.064 0.000 2.198 91 Q HA 0.237 4.583 4.340 0.010 0.000 0.209 91 Q C -0.078 175.949 176.000 0.046 0.000 0.848 91 Q CA -0.070 55.763 55.803 0.049 0.000 0.974 91 Q CB 0.610 29.379 28.738 0.051 0.000 1.115 91 Q HN 0.799 nan 8.270 nan 0.000 0.494 92 Q N 0.770 120.602 119.800 0.053 0.000 2.321 92 Q HA 0.183 4.529 4.340 0.010 0.000 0.270 92 Q C -1.288 174.743 176.000 0.052 0.000 1.032 92 Q CA -0.674 55.156 55.803 0.045 0.000 0.784 92 Q CB 1.409 30.170 28.738 0.039 0.000 1.264 92 Q HN 0.032 nan 8.270 nan 0.000 0.448 93 D N 2.366 122.791 120.400 0.041 0.000 2.362 93 D HA 0.279 4.925 4.640 0.010 0.000 0.242 93 D C 0.059 176.385 176.300 0.044 0.000 1.132 93 D CA 0.264 54.289 54.000 0.042 0.000 0.907 93 D CB 1.389 42.207 40.800 0.031 0.000 1.195 93 D HN 0.708 nan 8.370 nan 0.000 0.429 94 G N 0.302 109.132 108.800 0.049 0.000 2.795 94 G HA2 0.361 4.327 3.960 0.010 0.000 0.267 94 G HA3 0.361 4.327 3.960 0.010 0.000 0.267 94 G C -1.416 173.507 174.900 0.038 0.000 1.362 94 G CA -0.628 44.500 45.100 0.046 0.000 1.048 94 G HN 0.303 nan 8.290 nan 0.000 0.547 95 P HA 0.107 nan 4.420 nan 0.000 0.231 95 P C 0.426 177.744 177.300 0.030 0.000 1.168 95 P CA 0.136 63.255 63.100 0.031 0.000 0.779 95 P CB 0.062 31.782 31.700 0.032 0.000 0.844 96 C N 0.724 120.045 119.300 0.035 0.000 2.500 96 C HA 0.602 5.068 4.460 0.010 0.000 0.367 96 C C 0.960 175.965 174.990 0.025 0.000 1.283 96 C CA 0.076 59.112 59.018 0.031 0.000 2.456 96 C CB 0.848 28.610 27.740 0.036 0.000 2.457 96 C HN 0.411 nan 8.230 nan 0.000 0.632 97 T N -2.307 112.260 114.554 0.020 0.000 2.853 97 T HA 0.381 4.737 4.350 0.010 0.000 0.311 97 T C -2.540 172.168 174.700 0.013 0.000 1.307 97 T CA -1.011 61.098 62.100 0.015 0.000 1.019 97 T CB 1.300 70.175 68.868 0.012 0.000 1.264 97 T HN 0.262 nan 8.240 nan 0.000 0.497 98 P HA -0.001 nan 4.420 nan 0.000 0.218 98 P C 1.478 178.782 177.300 0.006 0.000 1.146 98 P CA 0.704 63.808 63.100 0.008 0.000 0.813 98 P CB 0.162 31.865 31.700 0.005 0.000 0.778 99 R N -0.543 119.960 120.500 0.006 0.000 2.090 99 R HA -0.032 4.314 4.340 0.010 0.000 0.228 99 R C 0.698 177.001 176.300 0.005 0.000 1.110 99 R CA 0.822 56.925 56.100 0.005 0.000 0.973 99 R CB 0.213 30.515 30.300 0.004 0.000 0.869 99 R HN 0.106 nan 8.270 nan 0.000 0.440 100 R N -0.480 120.025 120.500 0.007 0.000 2.594 100 R HA 0.118 4.463 4.340 0.010 0.000 0.265 100 R C -1.832 174.475 176.300 0.012 0.000 1.070 100 R CA -0.674 55.430 56.100 0.007 0.000 0.909 100 R CB 0.247 30.552 30.300 0.007 0.000 1.243 100 R HN 0.059 nan 8.270 nan 0.000 0.455 101 C N 4.398 123.704 119.300 0.011 0.000 2.285 101 C HA 0.543 5.009 4.460 0.010 0.000 0.335 101 C C 0.774 175.777 174.990 0.022 0.000 1.267 101 C CA -0.666 58.361 59.018 0.016 0.000 1.762 101 C CB -0.932 26.814 27.740 0.009 0.000 2.365 101 C HN 0.770 nan 8.230 nan 0.000 0.527 102 L N 5.781 127.022 121.223 0.030 0.000 3.017 102 L HA 0.280 4.626 4.340 0.010 0.000 0.255 102 L C 2.087 178.988 176.870 0.052 0.000 1.247 102 L CA 0.210 55.072 54.840 0.036 0.000 1.038 102 L CB -0.075 42.004 42.059 0.032 0.000 1.380 102 L HN 1.025 nan 8.230 nan 0.000 0.548 103 G N 0.212 109.046 108.800 0.057 0.000 2.501 103 G HA2 -0.269 3.697 3.960 0.010 0.000 0.220 103 G HA3 -0.269 3.697 3.960 0.010 0.000 0.220 103 G C 1.565 176.536 174.900 0.118 0.000 1.114 103 G CA 1.155 46.303 45.100 0.080 0.000 0.757 103 G HN 0.518 nan 8.290 nan 0.000 0.559 104 S N -0.649 115.117 115.700 0.109 0.000 2.575 104 S HA 0.343 4.819 4.470 0.010 0.000 0.215 104 S C 0.552 175.242 174.600 0.151 0.000 0.966 104 S CA -0.502 57.785 58.200 0.145 0.000 0.911 104 S CB 0.005 63.267 63.200 0.103 0.000 0.780 104 S HN -0.038 nan 8.310 nan 0.000 0.514 105 L N 2.272 123.564 121.223 0.115 0.000 2.367 105 L HA 0.295 4.641 4.340 0.010 0.000 0.275 105 L C 1.407 178.356 176.870 0.132 0.000 1.129 105 L CA 0.059 54.959 54.840 0.100 0.000 0.839 105 L CB 0.797 42.892 42.059 0.059 0.000 1.133 105 L HN -0.008 nan 8.230 nan 0.000 0.453 106 V N 3.745 123.747 119.914 0.147 0.000 2.407 106 V HA -0.130 3.996 4.120 0.010 0.000 0.248 106 V C 0.881 176.993 176.094 0.030 0.000 1.055 106 V CA 1.346 63.755 62.300 0.181 0.000 1.049 106 V CB -0.404 31.528 31.823 0.182 0.000 0.662 106 V HN 0.494 nan 8.190 nan 0.000 0.455 107 L N -1.266 119.953 121.223 -0.006 0.000 2.303 107 L HA 0.495 4.841 4.340 0.010 0.000 0.266 107 L C -1.950 174.927 176.870 0.012 0.000 1.011 107 L CA -1.957 52.862 54.840 -0.034 0.000 0.818 107 L CB 0.771 42.779 42.059 -0.086 0.000 1.326 107 L HN -0.007 nan 8.230 nan 0.000 0.435 121 P HA 0.178 nan 4.420 nan 0.000 0.242 121 P C 1.113 178.425 177.300 0.020 0.000 1.116 121 P CA 0.714 63.822 63.100 0.015 0.000 0.954 121 P CB -0.283 31.425 31.700 0.013 0.000 0.908 122 A N 4.811 127.644 122.820 0.021 0.000 1.971 122 A HA -0.306 4.020 4.320 0.010 0.000 0.222 122 A C 2.075 179.670 177.584 0.019 0.000 1.182 122 A CA 2.083 54.135 52.037 0.025 0.000 0.649 122 A CB -0.649 18.364 19.000 0.022 0.000 0.818 122 A HN 0.643 nan 8.150 nan 0.000 0.458 123 E N -0.482 119.727 120.200 0.015 0.000 2.021 123 E HA -0.361 3.995 4.350 0.010 0.000 0.200 123 E C 2.160 178.770 176.600 0.016 0.000 1.015 123 E CA 1.594 58.001 56.400 0.012 0.000 0.824 123 E CB -0.689 29.017 29.700 0.011 0.000 0.762 123 E HN 0.820 nan 8.360 nan 0.000 0.454 124 Q N 0.481 120.293 119.800 0.020 0.000 2.230 124 Q HA -0.113 4.233 4.340 0.010 0.000 0.202 124 Q C 2.315 178.336 176.000 0.036 0.000 0.963 124 Q CA 0.679 56.498 55.803 0.025 0.000 0.866 124 Q CB 0.018 28.770 28.738 0.023 0.000 0.931 124 Q HN 0.335 nan 8.270 nan 0.000 0.452 125 L N 0.484 121.730 121.223 0.040 0.000 2.056 125 L HA -0.155 4.191 4.340 0.010 0.000 0.207 125 L C 1.997 178.899 176.870 0.054 0.000 1.078 125 L CA 1.475 56.353 54.840 0.064 0.000 0.749 125 L CB -0.826 41.280 42.059 0.077 0.000 0.901 125 L HN 0.315 nan 8.230 nan 0.000 0.433 126 L N -0.312 120.922 121.223 0.018 0.000 1.989 126 L HA -0.222 4.124 4.340 0.010 0.000 0.211 126 L C 2.750 179.619 176.870 -0.001 0.000 1.071 126 L CA 2.292 57.120 54.840 -0.019 0.000 0.749 126 L CB -1.134 40.914 42.059 -0.018 0.000 0.890 126 L HN 0.635 nan 8.230 nan 0.000 0.431 127 S N -1.170 114.543 115.700 0.021 0.000 2.368 127 S HA -0.256 4.220 4.470 0.010 0.000 0.225 127 S C 1.781 176.420 174.600 0.066 0.000 1.030 127 S CA 1.062 59.283 58.200 0.036 0.000 0.999 127 S CB -0.472 62.748 63.200 0.033 0.000 0.844 127 S HN 0.492 nan 8.310 nan 0.000 0.459 128 Q N 1.194 121.041 119.800 0.077 0.000 2.084 128 Q HA 0.018 4.364 4.340 0.010 0.000 0.202 128 Q C 2.640 178.746 176.000 0.176 0.000 0.978 128 Q CA 1.391 57.264 55.803 0.116 0.000 0.844 128 Q CB -0.538 28.262 28.738 0.103 0.000 0.898 128 Q HN 0.761 nan 8.270 nan 0.000 0.426 129 A N 1.336 124.243 122.820 0.146 0.000 1.902 129 A HA -0.202 4.124 4.320 0.010 0.000 0.217 129 A C 1.994 179.677 177.584 0.165 0.000 1.181 129 A CA 1.267 53.403 52.037 0.164 0.000 0.623 129 A CB -0.399 18.479 19.000 -0.203 0.000 0.818 129 A HN 0.224 nan 8.150 nan 0.000 0.443 130 R N -0.379 120.171 120.500 0.083 0.000 2.091 130 R HA -0.149 4.197 4.340 0.010 0.000 0.238 130 R C 2.031 178.417 176.300 0.145 0.000 1.136 130 R CA 1.425 57.580 56.100 0.091 0.000 0.959 130 R CB -0.586 29.741 30.300 0.045 0.000 0.856 130 R HN 0.692 nan 8.270 nan 0.000 0.437 131 D N 0.453 120.942 120.400 0.149 0.000 2.104 131 D HA -0.203 4.443 4.640 0.010 0.000 0.194 131 D C 1.737 178.157 176.300 0.200 0.000 0.994 131 D CA 1.137 55.230 54.000 0.155 0.000 0.830 131 D CB -0.013 40.875 40.800 0.147 0.000 0.959 131 D HN 0.082 nan 8.370 nan 0.000 0.452 132 F N 1.732 121.775 119.950 0.154 0.000 2.095 132 F HA -0.193 4.339 4.527 0.009 0.000 0.298 132 F C 2.263 178.209 175.800 0.244 0.000 1.104 132 F CA 1.033 59.159 58.000 0.210 0.000 1.232 132 F CB -0.419 38.713 39.000 0.220 0.000 0.987 132 F HN -0.066 nan 8.300 nan 0.000 0.475 133 I N 0.994 121.598 120.570 0.056 0.000 2.208 133 I HA -0.329 3.847 4.170 0.010 0.000 0.245 133 I C 2.014 178.155 176.117 0.040 0.000 1.097 133 I CA 1.302 62.639 61.300 0.062 0.000 1.363 133 I CB -1.640 36.523 38.000 0.273 0.000 1.051 133 I HN 0.259 nan 8.210 nan 0.000 0.413 134 N N 0.928 119.676 118.700 0.080 0.000 2.120 134 N HA -0.196 4.550 4.740 0.010 0.000 0.188 134 N C 1.830 177.249 175.510 -0.152 0.000 1.024 134 N CA 1.113 54.158 53.050 -0.007 0.000 0.852 134 N CB -0.413 38.140 38.487 0.109 0.000 1.003 134 N HN 0.511 nan 8.380 nan 0.000 0.424 135 Q N -0.446 119.283 119.800 -0.117 0.000 2.096 135 Q HA -0.194 4.152 4.340 0.010 0.000 0.204 135 Q C 1.813 177.543 176.000 -0.449 0.000 0.982 135 Q CA 1.342 57.073 55.803 -0.121 0.000 0.850 135 Q CB -0.243 28.558 28.738 0.105 0.000 0.901 135 Q HN 0.450 nan 8.270 nan 0.000 0.422 136 Y N 0.005 119.803 120.300 -0.838 0.000 2.089 136 Y HA -0.280 4.275 4.550 0.008 0.000 0.282 136 Y C 1.760 177.109 175.900 -0.917 0.000 1.139 136 Y CA 1.567 58.908 58.100 -1.265 0.000 1.123 136 Y CB -0.690 37.122 38.460 -1.080 0.000 0.980 136 Y HN 0.076 nan 8.280 nan 0.000 0.493 137 Y N -0.009 119.830 120.300 -0.768 0.000 2.315 137 Y HA -0.238 4.319 4.550 0.011 0.000 0.288 137 Y C 2.750 178.295 175.900 -0.593 0.000 1.154 137 Y CA 1.747 59.393 58.100 -0.758 0.000 1.229 137 Y CB -0.439 37.515 38.460 -0.844 0.000 0.980 137 Y HN 0.121 nan 8.280 nan 0.000 0.540 138 S N -0.814 114.648 115.700 -0.396 0.000 2.383 138 S HA -0.199 4.277 4.470 0.010 0.000 0.227 138 S C 2.239 176.661 174.600 -0.297 0.000 1.026 138 S CA 1.257 59.300 58.200 -0.262 0.000 0.981 138 S CB -0.571 62.527 63.200 -0.170 0.000 0.818 138 S HN 0.629 nan 8.310 nan 0.000 0.472 139 S N 2.411 117.842 115.700 -0.447 0.000 2.419 139 S HA -0.046 4.430 4.470 0.010 0.000 0.233 139 S C 1.610 175.986 174.600 -0.373 0.000 1.016 139 S CA 1.027 59.004 58.200 -0.371 0.000 0.974 139 S CB -0.780 62.111 63.200 -0.515 0.000 0.786 139 S HN 0.726 nan 8.310 nan 0.000 0.492 140 I N -3.278 116.971 120.570 -0.534 0.000 3.928 140 I HA 0.396 4.572 4.170 0.010 0.000 0.335 140 I C -0.418 175.548 176.117 -0.252 0.000 1.325 140 I CA -0.516 60.535 61.300 -0.416 0.000 1.107 140 I CB -0.059 37.584 38.000 -0.593 0.000 1.014 140 I HN -0.113 nan 8.210 nan 0.000 0.400 141 K N 2.535 122.806 120.400 -0.215 0.000 3.239 141 K HA -0.126 4.200 4.320 0.010 0.000 0.270 141 K C -0.287 176.262 176.600 -0.084 0.000 1.049 141 K CA 0.426 56.637 56.287 -0.126 0.000 0.769 141 K CB -1.671 30.774 32.500 -0.092 0.000 1.305 141 K HN 0.601 nan 8.250 nan 0.000 0.469 142 R N -0.990 119.467 120.500 -0.071 0.000 2.599 142 R HA 0.107 4.453 4.340 0.010 0.000 0.451 142 R C -0.401 175.910 176.300 0.018 0.000 0.988 142 R CA -0.387 55.718 56.100 0.009 0.000 1.085 142 R CB 0.647 31.011 30.300 0.107 0.000 1.452 142 R HN 0.029 nan 8.270 nan 0.000 0.596 143 S N 0.339 116.026 115.700 -0.020 0.000 2.515 143 S HA 0.323 4.799 4.470 0.010 0.000 0.285 143 S C 1.315 175.992 174.600 0.128 0.000 1.265 143 S CA 1.218 59.443 58.200 0.042 0.000 1.079 143 S CB 0.858 64.058 63.200 -0.000 0.000 0.877 143 S HN 0.717 nan 8.310 nan 0.000 0.493 144 G N 2.687 111.654 108.800 0.279 0.000 2.213 144 G HA2 -0.300 3.666 3.960 0.010 0.000 0.236 144 G HA3 -0.300 3.666 3.960 0.010 0.000 0.236 144 G C 0.416 175.311 174.900 -0.009 0.000 0.991 144 G CA 0.140 45.274 45.100 0.056 0.000 0.629 144 G HN 1.109 nan 8.290 nan 0.000 0.517 145 S N -0.284 115.427 115.700 0.018 0.000 2.612 145 S HA 0.338 4.814 4.470 0.010 0.000 0.253 145 S C 1.356 175.910 174.600 -0.077 0.000 1.346 145 S CA 0.967 59.152 58.200 -0.025 0.000 0.976 145 S CB 1.104 64.301 63.200 -0.005 0.000 0.949 145 S HN 0.552 nan 8.310 nan 0.000 0.584 146 Q N 0.243 120.007 119.800 -0.060 0.000 2.083 146 Q HA -0.053 4.293 4.340 0.010 0.000 0.198 146 Q C 2.345 178.291 176.000 -0.089 0.000 0.969 146 Q CA 1.282 57.044 55.803 -0.068 0.000 0.838 146 Q CB -0.718 28.000 28.738 -0.034 0.000 0.900 146 Q HN 0.919 nan 8.270 nan 0.000 0.436 147 A N 0.329 123.108 122.820 -0.069 0.000 1.902 147 A HA -0.247 4.079 4.320 0.010 0.000 0.217 147 A C 1.900 179.294 177.584 -0.317 0.000 1.181 147 A CA 1.727 53.731 52.037 -0.056 0.000 0.623 147 A CB -1.060 18.014 19.000 0.123 0.000 0.818 147 A HN 0.684 nan 8.150 nan 0.000 0.443 148 H N -0.615 117.967 119.070 -0.813 0.000 2.270 148 H HA -0.124 4.438 4.556 0.010 0.000 0.299 148 H C 1.882 176.896 175.328 -0.523 0.000 1.077 148 H CA 1.358 56.663 56.048 -1.238 0.000 1.294 148 H CB 0.056 29.271 29.762 -0.912 0.000 1.371 148 H HN 0.405 nan 8.280 nan 0.000 0.491 149 E N 0.597 120.544 120.200 -0.422 0.000 2.204 149 E HA -0.158 4.197 4.350 0.010 0.000 0.195 149 E C 2.058 178.540 176.600 -0.198 0.000 0.990 149 E CA 0.917 57.102 56.400 -0.359 0.000 0.821 149 E CB -0.100 29.445 29.700 -0.258 0.000 0.750 149 E HN 0.701 nan 8.360 nan 0.000 0.477 150 E N 0.354 120.468 120.200 -0.143 0.000 2.072 150 E HA -0.143 4.213 4.350 0.010 0.000 0.190 150 E C 2.168 178.751 176.600 -0.027 0.000 0.982 150 E CA 0.604 56.965 56.400 -0.067 0.000 0.803 150 E CB -0.043 29.636 29.700 -0.034 0.000 0.755 150 E HN -0.073 nan 8.360 nan 0.000 0.453 151 R N 1.374 121.869 120.500 -0.009 0.000 2.120 151 R HA -0.096 4.250 4.340 0.010 0.000 0.234 151 R C 2.037 178.376 176.300 0.065 0.000 1.123 151 R CA 1.086 57.242 56.100 0.093 0.000 0.975 151 R CB -0.554 29.896 30.300 0.250 0.000 0.866 151 R HN 0.156 nan 8.270 nan 0.000 0.446 152 L N -0.075 121.147 121.223 -0.001 0.000 2.017 152 L HA -0.185 4.161 4.340 0.010 0.000 0.208 152 L C 2.540 179.385 176.870 -0.041 0.000 1.073 152 L CA 1.699 56.523 54.840 -0.027 0.000 0.745 152 L CB -0.431 41.561 42.059 -0.112 0.000 0.894 152 L HN 0.322 nan 8.230 nan 0.000 0.432 153 Q N -0.570 119.201 119.800 -0.047 0.000 2.167 153 Q HA -0.246 4.100 4.340 0.010 0.000 0.202 153 Q C 2.055 178.048 176.000 -0.012 0.000 0.970 153 Q CA 1.254 57.035 55.803 -0.035 0.000 0.855 153 Q CB 0.006 28.721 28.738 -0.038 0.000 0.911 153 Q HN 0.472 nan 8.270 nan 0.000 0.438 154 E N -0.109 120.096 120.200 0.009 0.000 2.204 154 E HA -0.134 4.222 4.350 0.010 0.000 0.194 154 E C 1.681 178.305 176.600 0.040 0.000 0.989 154 E CA 0.695 57.117 56.400 0.037 0.000 0.824 154 E CB 0.364 30.104 29.700 0.067 0.000 0.756 154 E HN 0.127 nan 8.360 nan 0.000 0.477 155 V N 0.768 120.681 119.914 -0.001 0.000 2.599 155 V HA -0.126 4.000 4.120 0.010 0.000 0.245 155 V C 1.831 177.862 176.094 -0.105 0.000 1.046 155 V CA 1.460 63.708 62.300 -0.088 0.000 1.065 155 V CB -0.212 31.458 31.823 -0.255 0.000 0.703 155 V HN 0.204 nan 8.190 nan 0.000 0.464 156 E N 0.729 120.884 120.200 -0.076 0.000 2.110 156 E HA -0.176 4.180 4.350 0.010 0.000 0.193 156 E C 2.314 178.904 176.600 -0.017 0.000 0.988 156 E CA 1.333 57.701 56.400 -0.054 0.000 0.804 156 E CB -0.328 29.346 29.700 -0.043 0.000 0.745 156 E HN 0.587 nan 8.360 nan 0.000 0.458 157 A N 1.531 124.350 122.820 -0.002 0.000 1.851 157 A HA -0.299 4.027 4.320 0.010 0.000 0.216 157 A C 2.122 179.728 177.584 0.036 0.000 1.195 157 A CA 1.858 53.904 52.037 0.016 0.000 0.622 157 A CB -0.645 18.367 19.000 0.021 0.000 0.831 157 A HN 0.276 nan 8.150 nan 0.000 0.444 158 E N -0.480 119.755 120.200 0.058 0.000 2.085 158 E HA -0.155 4.201 4.350 0.010 0.000 0.194 158 E C 1.867 178.532 176.600 0.109 0.000 0.994 158 E CA 1.570 58.031 56.400 0.103 0.000 0.801 158 E CB -0.144 29.657 29.700 0.169 0.000 0.743 158 E HN 0.310 nan 8.360 nan 0.000 0.453 159 V N 0.955 120.918 119.914 0.081 0.000 2.358 159 V HA -0.220 3.906 4.120 0.010 0.000 0.246 159 V C 2.415 178.541 176.094 0.052 0.000 1.047 159 V CA 1.615 63.962 62.300 0.079 0.000 1.035 159 V CB -0.699 31.143 31.823 0.030 0.000 0.658 159 V HN 0.456 nan 8.190 nan 0.000 0.452 160 A N 0.506 123.345 122.820 0.032 0.000 1.986 160 A HA -0.207 4.119 4.320 0.010 0.000 0.220 160 A C 2.302 179.905 177.584 0.032 0.000 1.171 160 A CA 2.374 54.426 52.037 0.025 0.000 0.640 160 A CB -0.462 18.547 19.000 0.015 0.000 0.811 160 A HN 0.721 nan 8.150 nan 0.000 0.451 161 S N -2.729 112.997 115.700 0.042 0.000 2.578 161 S HA 0.154 4.630 4.470 0.010 0.000 0.231 161 S C 0.950 175.581 174.600 0.051 0.000 0.994 161 S CA 0.876 59.100 58.200 0.041 0.000 0.956 161 S CB -0.050 63.173 63.200 0.038 0.000 0.870 161 S HN 0.832 nan 8.310 nan 0.000 0.494 162 T N -4.679 109.913 114.554 0.064 0.000 3.092 162 T HA 0.515 4.871 4.350 0.010 0.000 0.273 162 T C 1.536 176.276 174.700 0.067 0.000 0.898 162 T CA 0.716 62.859 62.100 0.070 0.000 0.868 162 T CB 0.081 69.007 68.868 0.097 0.000 1.228 162 T HN 1.212 nan 8.240 nan 0.000 0.555 163 G N 0.523 109.363 108.800 0.067 0.000 2.253 163 G HA2 -0.223 3.743 3.960 0.010 0.000 0.251 163 G HA3 -0.223 3.743 3.960 0.010 0.000 0.251 163 G C 0.243 175.190 174.900 0.078 0.000 0.998 163 G CA 0.680 45.815 45.100 0.059 0.000 0.621 163 G HN 1.001 nan 8.290 nan 0.000 0.524 164 T N -1.088 113.529 114.554 0.105 0.000 2.645 164 T HA 0.771 5.127 4.350 0.010 0.000 0.273 164 T C -1.062 173.797 174.700 0.266 0.000 0.960 164 T CA 0.410 62.588 62.100 0.130 0.000 1.051 164 T CB 1.499 70.363 68.868 -0.007 0.000 1.366 164 T HN 1.483 nan 8.240 nan 0.000 0.536 165 Y N -1.021 119.271 120.300 -0.013 0.000 2.713 165 Y HA 0.746 5.301 4.550 0.010 0.000 0.335 165 Y C -1.679 174.206 175.900 -0.026 0.000 1.222 165 Y CA -1.273 56.877 58.100 0.083 0.000 1.061 165 Y CB 0.651 39.161 38.460 0.084 0.000 1.314 165 Y HN 0.707 nan 8.280 nan 0.000 0.453 166 H N 1.001 120.081 119.070 0.016 0.000 2.670 166 H HA 0.705 5.267 4.556 0.010 0.000 0.361 166 H C -0.893 174.439 175.328 0.008 0.000 1.169 166 H CA -0.880 55.114 56.048 -0.090 0.000 1.198 166 H CB 1.856 31.620 29.762 0.003 0.000 1.700 166 H HN 0.720 nan 8.280 nan 0.000 0.542 167 L N 1.680 122.946 121.223 0.072 0.000 2.360 167 L HA 0.502 4.848 4.340 0.010 0.000 0.271 167 L C 0.289 177.221 176.870 0.103 0.000 1.057 167 L CA -1.112 53.796 54.840 0.114 0.000 0.803 167 L CB 0.737 42.822 42.059 0.043 0.000 1.207 167 L HN 0.346 nan 8.230 nan 0.000 0.445 168 R N 0.748 121.291 120.500 0.073 0.000 2.615 168 R HA 0.069 4.415 4.340 0.010 0.000 0.270 168 R C 1.003 177.292 176.300 -0.018 0.000 1.081 168 R CA -0.286 55.830 56.100 0.026 0.000 1.154 168 R CB 0.177 30.474 30.300 -0.005 0.000 1.063 168 R HN 0.643 nan 8.270 nan 0.000 0.519 169 E N 0.724 120.915 120.200 -0.013 0.000 2.035 169 E HA -0.266 4.090 4.350 0.010 0.000 0.204 169 E C 1.170 177.745 176.600 -0.043 0.000 1.025 169 E CA 2.430 58.813 56.400 -0.027 0.000 0.835 169 E CB 0.038 29.731 29.700 -0.012 0.000 0.764 169 E HN 0.636 nan 8.360 nan 0.000 0.457 170 S N -0.240 115.436 115.700 -0.040 0.000 2.469 170 S HA -0.153 4.323 4.470 0.010 0.000 0.238 170 S C 1.713 176.262 174.600 -0.086 0.000 0.998 170 S CA 1.272 59.463 58.200 -0.015 0.000 0.957 170 S CB -0.187 63.039 63.200 0.043 0.000 0.764 170 S HN 0.309 nan 8.310 nan 0.000 0.514 171 E N 0.389 120.444 120.200 -0.242 0.000 2.107 171 E HA 0.015 4.371 4.350 0.010 0.000 0.191 171 E C 1.924 178.598 176.600 0.123 0.000 0.982 171 E CA 0.885 57.145 56.400 -0.233 0.000 0.809 171 E CB -0.201 29.397 29.700 -0.170 0.000 0.756 171 E HN 0.445 nan 8.360 nan 0.000 0.459 172 L N 0.468 121.681 121.223 -0.017 0.000 2.056 172 L HA -0.132 4.214 4.340 0.010 0.000 0.207 172 L C 2.106 178.921 176.870 -0.091 0.000 1.078 172 L CA 1.351 56.116 54.840 -0.125 0.000 0.749 172 L CB -0.282 41.658 42.059 -0.198 0.000 0.901 172 L HN -0.046 nan 8.230 nan 0.000 0.433 173 V N -0.403 119.497 119.914 -0.024 0.000 2.490 173 V HA -0.288 3.838 4.120 0.010 0.000 0.250 173 V C 2.311 178.466 176.094 0.102 0.000 1.061 173 V CA 1.988 64.292 62.300 0.007 0.000 1.064 173 V CB -0.958 30.879 31.823 0.023 0.000 0.670 173 V HN 0.582 nan 8.190 nan 0.000 0.461 174 F N 2.038 122.038 119.950 0.085 0.000 2.163 174 F HA 0.106 4.638 4.527 0.009 0.000 0.297 174 F C 2.112 178.032 175.800 0.199 0.000 1.094 174 F CA 1.502 59.610 58.000 0.181 0.000 1.290 174 F CB -0.781 38.386 39.000 0.278 0.000 1.017 174 F HN 0.100 nan 8.300 nan 0.000 0.483 175 G N 0.029 108.783 108.800 -0.076 0.000 2.394 175 G HA2 -0.141 3.825 3.960 0.010 0.000 0.215 175 G HA3 -0.141 3.825 3.960 0.010 0.000 0.215 175 G C 1.844 176.541 174.900 -0.339 0.000 1.165 175 G CA 0.726 45.674 45.100 -0.252 0.000 0.784 175 G HN 0.604 nan 8.290 nan 0.000 0.535 176 A N 1.048 123.712 122.820 -0.260 0.000 1.883 176 A HA -0.065 4.261 4.320 0.010 0.000 0.217 176 A C 2.289 179.814 177.584 -0.100 0.000 1.186 176 A CA 2.041 53.942 52.037 -0.228 0.000 0.624 176 A CB -0.396 18.513 19.000 -0.153 0.000 0.822 176 A HN 0.374 nan 8.150 nan 0.000 0.444 177 K N -0.908 119.482 120.400 -0.017 0.000 2.148 177 K HA -0.111 4.215 4.320 0.010 0.000 0.204 177 K C 2.282 178.896 176.600 0.024 0.000 1.050 177 K CA 1.153 57.541 56.287 0.169 0.000 0.942 177 K CB -0.094 32.577 32.500 0.284 0.000 0.724 177 K HN 0.416 nan 8.250 nan 0.000 0.446 178 Q N 0.176 119.809 119.800 -0.279 0.000 2.083 178 Q HA -0.051 4.295 4.340 0.010 0.000 0.198 178 Q C 2.210 178.025 176.000 -0.307 0.000 0.969 178 Q CA 1.388 56.943 55.803 -0.413 0.000 0.838 178 Q CB -0.210 28.176 28.738 -0.587 0.000 0.900 178 Q HN 0.304 nan 8.270 nan 0.000 0.436 179 A N 0.349 122.967 122.820 -0.337 0.000 1.940 179 A HA -0.195 4.131 4.320 0.010 0.000 0.219 179 A C 1.802 179.305 177.584 -0.136 0.000 1.176 179 A CA 1.472 53.240 52.037 -0.448 0.000 0.631 179 A CB -0.932 17.455 19.000 -1.021 0.000 0.814 179 A HN 0.546 nan 8.150 nan 0.000 0.446 180 W N 0.966 122.193 121.300 -0.121 0.000 2.378 180 W HA -0.127 4.538 4.660 0.008 0.000 0.313 180 W C 2.334 178.807 176.519 -0.077 0.000 1.197 180 W CA 1.564 58.934 57.345 0.042 0.000 1.304 180 W CB -0.792 28.699 29.460 0.051 0.000 1.148 180 W HN 0.376 nan 8.180 nan 0.000 0.494 181 R N 0.477 120.905 120.500 -0.120 0.000 2.159 181 R HA -0.196 4.150 4.340 0.010 0.000 0.237 181 R C 1.482 177.619 176.300 -0.273 0.000 1.131 181 R CA 1.871 57.692 56.100 -0.466 0.000 0.982 181 R CB -0.553 29.124 30.300 -1.037 0.000 0.868 181 R HN 0.096 nan 8.270 nan 0.000 0.453 182 N N 0.318 118.905 118.700 -0.188 0.000 2.422 182 N HA 0.038 4.784 4.740 0.010 0.000 0.181 182 N C -0.338 175.117 175.510 -0.091 0.000 1.080 182 N CA 0.690 53.651 53.050 -0.149 0.000 0.893 182 N CB 0.433 38.828 38.487 -0.154 0.000 0.973 182 N HN 0.189 nan 8.380 nan 0.000 0.456 183 A N 2.091 124.907 122.820 -0.006 0.000 2.500 183 A HA 0.188 4.514 4.320 0.010 0.000 0.285 183 A C -1.278 176.290 177.584 -0.026 0.000 1.183 183 A CA -0.828 51.215 52.037 0.009 0.000 0.851 183 A CB 0.176 19.235 19.000 0.098 0.000 1.091 183 A HN 0.031 nan 8.150 nan 0.000 0.521 184 P HA -0.106 nan 4.420 nan 0.000 0.223 184 P C 1.080 178.343 177.300 -0.061 0.000 1.144 184 P CA 1.128 64.178 63.100 -0.084 0.000 0.783 184 P CB 0.174 31.792 31.700 -0.138 0.000 0.771 185 R N -2.439 118.004 120.500 -0.095 0.000 2.334 185 R HA 0.160 4.506 4.340 0.010 0.000 0.212 185 R C 0.295 176.603 176.300 0.013 0.000 0.897 185 R CA -0.139 55.929 56.100 -0.054 0.000 1.056 185 R CB -0.230 29.920 30.300 -0.250 0.000 1.046 185 R HN 0.149 nan 8.270 nan 0.000 0.513 186 C N 1.120 120.417 119.300 -0.004 0.000 2.442 186 C HA 0.156 4.622 4.460 0.010 0.000 0.362 186 C C 2.048 176.981 174.990 -0.096 0.000 1.242 186 C CA -0.588 58.440 59.018 0.017 0.000 1.741 186 C CB 0.137 27.960 27.740 0.138 0.000 2.378 186 C HN 0.305 nan 8.230 nan 0.000 0.549 187 V N 6.336 126.138 119.914 -0.186 0.000 3.217 187 V HA 0.151 4.277 4.120 0.010 0.000 0.264 187 V C 1.839 177.884 176.094 -0.081 0.000 1.135 187 V CA 2.284 64.342 62.300 -0.404 0.000 1.142 187 V CB -0.320 31.302 31.823 -0.334 0.000 0.754 187 V HN 1.066 nan 8.190 nan 0.000 0.484 188 G N -0.638 108.182 108.800 0.032 0.000 3.314 188 G HA2 0.017 3.983 3.960 0.010 0.000 0.238 188 G HA3 0.017 3.983 3.960 0.010 0.000 0.238 188 G C 1.287 176.229 174.900 0.069 0.000 1.184 188 G CA -0.252 44.905 45.100 0.094 0.000 0.806 188 G HN 0.463 nan 8.290 nan 0.000 0.536 189 R N -0.371 120.092 120.500 -0.062 0.000 2.303 189 R HA -0.047 4.299 4.340 0.010 0.000 0.225 189 R C 2.125 178.047 176.300 -0.630 0.000 1.114 189 R CA 0.353 56.150 56.100 -0.505 0.000 1.007 189 R CB -0.219 29.735 30.300 -0.577 0.000 0.861 189 R HN 0.416 nan 8.270 nan 0.000 0.471 190 I N 1.286 121.655 120.570 -0.335 0.000 2.399 190 I HA -0.292 3.884 4.170 0.010 0.000 0.254 190 I C 1.545 177.596 176.117 -0.110 0.000 1.146 190 I CA 1.718 62.986 61.300 -0.052 0.000 1.412 190 I CB 0.010 38.063 38.000 0.089 0.000 1.076 190 I HN 0.136 nan 8.210 nan 0.000 0.432 191 Q N -0.059 119.612 119.800 -0.214 0.000 2.403 191 Q HA -0.097 4.249 4.340 0.010 0.000 0.203 191 Q C 1.800 177.392 176.000 -0.680 0.000 0.932 191 Q CA 0.628 56.276 55.803 -0.258 0.000 0.945 191 Q CB -0.500 28.242 28.738 0.007 0.000 1.045 191 Q HN 0.847 nan 8.270 nan 0.000 0.511 192 W N 0.515 121.110 121.300 -1.174 0.000 2.279 192 W HA -0.209 4.459 4.660 0.013 0.000 0.298 192 W C 1.104 177.289 176.519 -0.557 0.000 1.228 192 W CA 1.264 57.767 57.345 -1.404 0.000 1.230 192 W CB -1.233 27.635 29.460 -0.986 0.000 1.138 192 W HN 0.088 nan 8.180 nan 0.000 0.532 193 G N 1.088 109.196 108.800 -1.154 0.000 2.650 193 G HA2 -0.102 3.864 3.960 0.010 0.000 0.214 193 G HA3 -0.102 3.864 3.960 0.010 0.000 0.214 193 G C 0.880 175.557 174.900 -0.372 0.000 1.136 193 G CA -0.151 44.354 45.100 -0.991 0.000 0.789 193 G HN 0.161 nan 8.290 nan 0.000 0.536 194 K N 0.494 120.769 120.400 -0.209 0.000 2.360 194 K HA 0.368 4.694 4.320 0.010 0.000 0.235 194 K C -1.555 175.155 176.600 0.183 0.000 1.077 194 K CA -0.512 55.775 56.287 -0.000 0.000 1.035 194 K CB 1.061 33.589 32.500 0.047 0.000 1.623 194 K HN 0.072 nan 8.250 nan 0.000 0.462 195 L N 2.283 123.598 121.223 0.154 0.000 2.406 195 L HA 0.257 4.603 4.340 0.010 0.000 0.272 195 L C -0.925 175.939 176.870 -0.010 0.000 0.980 195 L CA -0.574 54.373 54.840 0.179 0.000 0.831 195 L CB 1.767 44.009 42.059 0.304 0.000 1.253 195 L HN 0.248 nan 8.230 nan 0.000 0.406 196 Q N 3.522 123.257 119.800 -0.109 0.000 2.323 196 Q HA 0.413 4.759 4.340 0.010 0.000 0.257 196 Q C -1.398 174.230 176.000 -0.619 0.000 1.022 196 Q CA 0.016 55.586 55.803 -0.388 0.000 0.919 196 Q CB 0.841 29.280 28.738 -0.498 0.000 1.220 196 Q HN 0.507 nan 8.270 nan 0.000 0.427 197 V N 6.234 125.846 119.914 -0.505 0.000 2.406 197 V HA 0.347 4.473 4.120 0.010 0.000 0.272 197 V C -0.505 175.278 176.094 -0.518 0.000 1.043 197 V CA -0.423 61.624 62.300 -0.421 0.000 0.915 197 V CB 0.233 31.924 31.823 -0.220 0.000 0.988 197 V HN 0.590 nan 8.190 nan 0.000 0.466 198 F N 2.842 122.675 119.950 -0.194 0.000 2.385 198 F HA 0.363 4.893 4.527 0.005 0.000 0.360 198 F C 0.479 176.116 175.800 -0.273 0.000 1.122 198 F CA -1.219 56.653 58.000 -0.214 0.000 1.090 198 F CB 1.026 39.906 39.000 -0.200 0.000 1.150 198 F HN 0.410 nan 8.300 nan 0.000 0.472 199 D N 3.303 123.670 120.400 -0.054 0.000 2.365 199 D HA 0.381 5.027 4.640 0.010 0.000 0.237 199 D C -0.075 176.060 176.300 -0.275 0.000 1.190 199 D CA 0.130 54.030 54.000 -0.167 0.000 0.867 199 D CB 1.185 41.925 40.800 -0.100 0.000 1.050 199 D HN 0.622 nan 8.370 nan 0.000 0.491 200 A N 4.754 127.252 122.820 -0.538 0.000 2.793 200 A HA 0.179 4.505 4.320 0.010 0.000 0.301 200 A C 1.362 178.644 177.584 -0.504 0.000 1.172 200 A CA -0.454 51.049 52.037 -0.890 0.000 0.973 200 A CB 0.015 17.859 19.000 -1.927 0.000 1.164 200 A HN 0.535 nan 8.150 nan 0.000 0.542 201 R N 0.477 120.828 120.500 -0.248 0.000 2.323 201 R HA -0.050 4.296 4.340 0.010 0.000 0.198 201 R C 0.708 176.980 176.300 -0.047 0.000 0.988 201 R CA 1.079 57.109 56.100 -0.116 0.000 1.041 201 R CB 0.145 30.442 30.300 -0.005 0.000 0.926 201 R HN 0.700 nan 8.270 nan 0.000 0.476 202 D N -0.494 119.894 120.400 -0.020 0.000 2.346 202 D HA -0.077 4.569 4.640 0.010 0.000 0.206 202 D C 0.576 176.952 176.300 0.126 0.000 1.001 202 D CA -0.212 53.829 54.000 0.068 0.000 0.871 202 D CB -0.647 40.211 40.800 0.097 0.000 0.943 202 D HN -0.014 nan 8.370 nan 0.000 0.518 203 C N 2.408 121.786 119.300 0.130 0.000 2.419 203 C HA 0.196 4.662 4.460 0.010 0.000 0.398 203 C C 1.750 176.912 174.990 0.287 0.000 1.498 203 C CA 0.884 60.062 59.018 0.266 0.000 1.494 203 C CB -1.095 26.822 27.740 0.295 0.000 2.485 203 C HN 0.468 nan 8.230 nan 0.000 0.608 204 S N 2.753 118.658 115.700 0.341 0.000 2.733 204 S HA 0.270 4.746 4.470 0.010 0.000 0.247 204 S C 0.108 174.885 174.600 0.295 0.000 1.043 204 S CA 0.294 58.719 58.200 0.375 0.000 1.066 204 S CB -0.082 63.258 63.200 0.232 0.000 1.045 204 S HN 1.244 nan 8.310 nan 0.000 0.586 205 S N -0.029 115.840 115.700 0.281 0.000 2.595 205 S HA 0.818 5.294 4.470 0.010 0.000 0.281 205 S C 0.897 175.605 174.600 0.180 0.000 1.117 205 S CA -0.209 58.099 58.200 0.179 0.000 0.873 205 S CB 1.379 64.664 63.200 0.141 0.000 1.108 205 S HN 0.458 nan 8.310 nan 0.000 0.477 206 A N 1.170 124.063 122.820 0.122 0.000 1.972 206 A HA -0.058 4.268 4.320 0.010 0.000 0.219 206 A C 2.092 179.738 177.584 0.104 0.000 1.169 206 A CA 2.027 54.135 52.037 0.119 0.000 0.635 206 A CB -1.113 17.978 19.000 0.152 0.000 0.810 206 A HN 0.930 nan 8.150 nan 0.000 0.446 207 Q N 0.201 120.112 119.800 0.185 0.000 2.119 207 Q HA -0.164 4.182 4.340 0.010 0.000 0.201 207 Q C 1.862 177.880 176.000 0.030 0.000 0.972 207 Q CA 2.181 58.072 55.803 0.146 0.000 0.847 207 Q CB -0.341 28.530 28.738 0.223 0.000 0.903 207 Q HN 0.736 nan 8.270 nan 0.000 0.433 208 E N -0.706 119.550 120.200 0.093 0.000 2.106 208 E HA -0.158 4.198 4.350 0.010 0.000 0.192 208 E C 1.896 178.604 176.600 0.179 0.000 0.984 208 E CA 1.090 57.556 56.400 0.111 0.000 0.806 208 E CB -0.074 29.744 29.700 0.196 0.000 0.750 208 E HN 0.467 nan 8.360 nan 0.000 0.458 209 M N -0.177 119.517 119.600 0.157 0.000 2.108 209 M HA -0.180 4.306 4.480 0.010 0.000 0.261 209 M C 2.119 178.435 176.300 0.026 0.000 1.066 209 M CA 1.492 56.843 55.300 0.086 0.000 1.107 209 M CB -0.377 32.064 32.600 -0.264 0.000 1.356 209 M HN 0.207 nan 8.290 nan 0.000 0.406 210 F N 1.053 120.791 119.950 -0.353 0.000 2.095 210 F HA -0.284 4.250 4.527 0.012 0.000 0.298 210 F C 2.288 177.960 175.800 -0.215 0.000 1.104 210 F CA 2.126 59.832 58.000 -0.489 0.000 1.232 210 F CB -0.355 37.956 39.000 -1.149 0.000 0.987 210 F HN 0.096 nan 8.300 nan 0.000 0.475 211 T N -0.419 113.935 114.554 -0.334 0.000 2.652 211 T HA -0.292 4.064 4.350 0.010 0.000 0.267 211 T C 1.621 176.117 174.700 -0.339 0.000 1.039 211 T CA 2.020 63.896 62.100 -0.372 0.000 1.153 211 T CB -1.070 67.628 68.868 -0.283 0.000 0.863 211 T HN 0.384 nan 8.240 nan 0.000 0.428 212 Y N 1.122 121.349 120.300 -0.122 0.000 2.114 212 Y HA -0.137 4.418 4.550 0.008 0.000 0.282 212 Y C 2.406 178.238 175.900 -0.113 0.000 1.165 212 Y CA 1.078 59.125 58.100 -0.088 0.000 1.148 212 Y CB -0.470 38.043 38.460 0.088 0.000 0.972 212 Y HN 0.157 nan 8.280 nan 0.000 0.504 213 I N -1.587 119.029 120.570 0.077 0.000 2.179 213 I HA -0.370 3.806 4.170 0.010 0.000 0.242 213 I C 2.470 178.501 176.117 -0.143 0.000 1.088 213 I CA 0.987 62.275 61.300 -0.021 0.000 1.357 213 I CB -0.635 37.320 38.000 -0.074 0.000 1.051 213 I HN 0.324 nan 8.210 nan 0.000 0.409 214 C N 0.932 120.005 119.300 -0.379 0.000 2.401 214 C HA -0.177 4.289 4.460 0.010 0.000 0.276 214 C C 2.695 177.581 174.990 -0.174 0.000 1.233 214 C CA 1.180 59.986 59.018 -0.352 0.000 1.753 214 C CB -1.419 26.012 27.740 -0.516 0.000 2.029 214 C HN 0.551 nan 8.230 nan 0.000 0.478 215 N N -0.344 118.242 118.700 -0.190 0.000 2.120 215 N HA -0.128 4.618 4.740 0.010 0.000 0.188 215 N C 1.415 176.853 175.510 -0.121 0.000 1.024 215 N CA 1.502 54.443 53.050 -0.182 0.000 0.852 215 N CB -0.851 37.457 38.487 -0.298 0.000 1.003 215 N HN 0.744 nan 8.380 nan 0.000 0.424 216 H N 0.692 119.649 119.070 -0.189 0.000 2.267 216 H HA 0.026 4.589 4.556 0.012 0.000 0.297 216 H C 2.084 177.459 175.328 0.079 0.000 1.080 216 H CA 1.833 57.857 56.048 -0.040 0.000 1.278 216 H CB -0.150 29.623 29.762 0.018 0.000 1.365 216 H HN 0.096 nan 8.280 nan 0.000 0.489 217 I N 0.439 121.162 120.570 0.256 0.000 2.264 217 I HA -0.286 3.890 4.170 0.010 0.000 0.248 217 I C 2.504 178.693 176.117 0.120 0.000 1.111 217 I CA 1.413 62.818 61.300 0.175 0.000 1.382 217 I CB -0.294 37.740 38.000 0.056 0.000 1.060 217 I HN 0.329 nan 8.210 nan 0.000 0.418 218 K N 0.010 120.453 120.400 0.073 0.000 2.001 218 K HA -0.232 4.094 4.320 0.010 0.000 0.208 218 K C 2.269 178.916 176.600 0.079 0.000 1.048 218 K CA 1.774 58.092 56.287 0.052 0.000 0.932 218 K CB -0.337 32.172 32.500 0.015 0.000 0.715 218 K HN 0.222 nan 8.250 nan 0.000 0.437 219 Y N 0.879 121.185 120.300 0.010 0.000 2.200 219 Y HA -0.210 4.343 4.550 0.005 0.000 0.290 219 Y C 1.992 177.940 175.900 0.081 0.000 1.137 219 Y CA 1.519 59.653 58.100 0.057 0.000 1.163 219 Y CB -0.169 38.367 38.460 0.126 0.000 0.988 219 Y HN 0.063 nan 8.280 nan 0.000 0.518 220 A N -1.038 121.887 122.820 0.174 0.000 1.930 220 A HA -0.087 4.239 4.320 0.010 0.000 0.215 220 A C 2.174 179.803 177.584 0.075 0.000 1.176 220 A CA 1.867 53.981 52.037 0.128 0.000 0.632 220 A CB -1.131 18.001 19.000 0.220 0.000 0.819 220 A HN 0.469 nan 8.150 nan 0.000 0.445 221 T N 0.134 114.738 114.554 0.082 0.000 2.777 221 T HA -0.111 4.245 4.350 0.010 0.000 0.266 221 T C 1.120 175.829 174.700 0.015 0.000 1.040 221 T CA 1.157 63.300 62.100 0.073 0.000 1.141 221 T CB -0.466 68.446 68.868 0.073 0.000 0.868 221 T HN 0.646 nan 8.240 nan 0.000 0.444 222 N N 1.403 120.081 118.700 -0.037 0.000 2.701 222 N HA -0.275 4.471 4.740 0.010 0.000 0.257 222 N C -0.253 175.231 175.510 -0.044 0.000 0.969 222 N CA 0.529 53.532 53.050 -0.078 0.000 0.786 222 N CB -1.293 37.097 38.487 -0.161 0.000 0.917 222 N HN 0.477 nan 8.380 nan 0.000 0.541 223 R N -2.157 118.332 120.500 -0.020 0.000 3.525 223 R HA -0.211 4.135 4.340 0.010 0.000 0.276 223 R C 1.313 177.602 176.300 -0.019 0.000 1.116 223 R CA 1.062 57.151 56.100 -0.017 0.000 0.745 223 R CB -1.909 28.377 30.300 -0.024 0.000 1.185 223 R HN 0.927 nan 8.270 nan 0.000 0.454 224 G N -0.433 108.365 108.800 -0.002 0.000 2.254 224 G HA2 -0.350 3.616 3.960 0.010 0.000 0.225 224 G HA3 -0.350 3.616 3.960 0.010 0.000 0.225 224 G C -0.028 174.868 174.900 -0.007 0.000 1.003 224 G CA 0.102 45.202 45.100 0.001 0.000 0.622 224 G HN 0.418 nan 8.290 nan 0.000 0.507 225 N N 1.405 120.086 118.700 -0.032 0.000 2.868 225 N HA 0.491 5.237 4.740 0.010 0.000 0.252 225 N C 0.313 175.799 175.510 -0.039 0.000 1.130 225 N CA -0.474 52.539 53.050 -0.062 0.000 1.026 225 N CB -0.146 38.299 38.487 -0.070 0.000 1.335 225 N HN 0.197 nan 8.380 nan 0.000 0.516 226 L N 2.252 123.481 121.223 0.010 0.000 2.485 226 L HA 0.196 4.542 4.340 0.010 0.000 0.275 226 L C 0.766 177.766 176.870 0.216 0.000 1.207 226 L CA 0.809 55.732 54.840 0.137 0.000 0.855 226 L CB 0.219 42.455 42.059 0.295 0.000 1.114 226 L HN 0.396 nan 8.230 nan 0.000 0.485 227 R N 1.445 122.066 120.500 0.201 0.000 2.575 227 R HA 0.453 4.799 4.340 0.010 0.000 0.293 227 R C -0.604 175.845 176.300 0.248 0.000 0.983 227 R CA -0.703 55.533 56.100 0.226 0.000 0.887 227 R CB 1.630 31.935 30.300 0.009 0.000 1.184 227 R HN 0.565 nan 8.270 nan 0.000 0.445 228 S N 1.413 117.260 115.700 0.245 0.000 2.560 228 S HA 0.447 4.923 4.470 0.010 0.000 0.284 228 S C -0.160 174.488 174.600 0.081 0.000 1.327 228 S CA -0.146 58.103 58.200 0.082 0.000 1.055 228 S CB 1.125 64.357 63.200 0.054 0.000 0.868 228 S HN 0.718 nan 8.310 nan 0.000 0.506 229 A N 2.462 125.292 122.820 0.017 0.000 2.608 229 A HA 0.792 5.118 4.320 0.010 0.000 0.292 229 A C -1.343 176.299 177.584 0.096 0.000 1.066 229 A CA -0.658 51.339 52.037 -0.066 0.000 0.676 229 A CB 1.149 20.052 19.000 -0.162 0.000 1.277 229 A HN 0.805 nan 8.150 nan 0.000 0.413 230 I N 0.558 121.173 120.570 0.075 0.000 2.692 230 I HA 0.624 4.800 4.170 0.010 0.000 0.293 230 I C -1.235 175.006 176.117 0.207 0.000 1.200 230 I CA -0.138 61.322 61.300 0.266 0.000 1.036 230 I CB 2.384 40.477 38.000 0.156 0.000 1.258 230 I HN 0.619 nan 8.210 nan 0.000 0.421 231 T N 6.396 121.098 114.554 0.246 0.000 2.770 231 T HA 0.450 4.806 4.350 0.010 0.000 0.283 231 T C -0.672 173.845 174.700 -0.306 0.000 0.988 231 T CA -0.365 61.736 62.100 0.002 0.000 0.957 231 T CB 1.526 70.412 68.868 0.031 0.000 0.930 231 T HN 0.275 nan 8.240 nan 0.000 0.443 232 V N 5.113 124.777 119.914 -0.417 0.000 2.328 232 V HA 0.455 4.581 4.120 0.010 0.000 0.278 232 V C -0.298 175.485 176.094 -0.518 0.000 1.021 232 V CA -0.836 61.227 62.300 -0.395 0.000 0.838 232 V CB -0.174 31.403 31.823 -0.409 0.000 0.999 232 V HN 0.710 nan 8.190 nan 0.000 0.447 233 F N 5.134 125.000 119.950 -0.139 0.000 2.368 233 F HA 0.470 5.004 4.527 0.012 0.000 0.308 233 F C -1.747 173.914 175.800 -0.232 0.000 1.198 233 F CA -2.338 55.476 58.000 -0.310 0.000 1.130 233 F CB 0.059 38.854 39.000 -0.341 0.000 1.300 233 F HN 0.289 nan 8.300 nan 0.000 0.537 234 P HA -0.019 nan 4.420 nan 0.000 0.265 234 P C -1.103 176.160 177.300 -0.061 0.000 1.187 234 P CA -0.044 62.938 63.100 -0.196 0.000 0.766 234 P CB 0.197 31.697 31.700 -0.333 0.000 0.820 235 Q N 3.054 122.718 119.800 -0.226 0.000 2.417 235 Q HA 0.225 4.571 4.340 0.010 0.000 0.241 235 Q C -0.303 175.540 176.000 -0.262 0.000 1.008 235 Q CA -0.582 54.858 55.803 -0.605 0.000 0.901 235 Q CB 0.569 28.608 28.738 -1.164 0.000 1.259 235 Q HN 0.310 nan 8.270 nan 0.000 0.489 236 R N 0.365 120.716 120.500 -0.248 0.000 2.538 236 R HA 0.252 4.598 4.340 0.010 0.000 0.282 236 R C -0.554 175.680 176.300 -0.110 0.000 1.009 236 R CA 0.381 56.418 56.100 -0.106 0.000 1.063 236 R CB 0.303 30.544 30.300 -0.099 0.000 0.945 236 R HN 0.668 nan 8.270 nan 0.000 0.414 237 A N 5.409 128.208 122.820 -0.034 0.000 2.317 237 A HA 0.464 4.790 4.320 0.010 0.000 0.327 237 A C -2.159 175.416 177.584 -0.014 0.000 1.178 237 A CA -1.966 50.057 52.037 -0.023 0.000 0.817 237 A CB 0.658 19.673 19.000 0.024 0.000 1.189 237 A HN 0.521 nan 8.150 nan 0.000 0.489 238 P HA 0.162 nan 4.420 nan 0.000 0.263 238 P C 0.663 177.966 177.300 0.006 0.000 1.195 238 P CA 1.469 64.566 63.100 -0.004 0.000 0.762 238 P CB 0.524 32.226 31.700 0.003 0.000 0.799 239 G N 2.548 111.350 108.800 0.004 0.000 2.359 239 G HA2 -0.247 3.719 3.960 0.010 0.000 0.298 239 G HA3 -0.247 3.719 3.960 0.010 0.000 0.298 239 G C -0.042 174.864 174.900 0.009 0.000 1.030 239 G CA 0.153 45.257 45.100 0.007 0.000 1.149 239 G HN 0.921 nan 8.290 nan 0.000 0.512 240 R N -0.615 119.889 120.500 0.006 0.000 2.634 240 R HA 0.522 4.868 4.340 0.010 0.000 0.263 240 R C 0.538 176.837 176.300 -0.002 0.000 1.060 240 R CA -0.238 55.864 56.100 0.005 0.000 0.898 240 R CB 0.611 30.921 30.300 0.016 0.000 1.253 240 R HN 0.852 nan 8.270 nan 0.000 0.461 241 G N 1.977 110.766 108.800 -0.019 0.000 2.441 241 G HA2 0.098 4.064 3.960 0.010 0.000 0.243 241 G HA3 0.098 4.064 3.960 0.010 0.000 0.243 241 G C -0.387 174.493 174.900 -0.034 0.000 1.281 241 G CA -0.214 44.870 45.100 -0.027 0.000 0.854 241 G HN 0.559 nan 8.290 nan 0.000 0.560 242 D N 0.050 120.452 120.400 0.003 0.000 2.344 242 D HA 0.251 4.897 4.640 0.010 0.000 0.244 242 D C -0.089 176.238 176.300 0.046 0.000 1.134 242 D CA 0.209 54.243 54.000 0.057 0.000 0.930 242 D CB 0.738 41.580 40.800 0.070 0.000 1.175 242 D HN 0.132 nan 8.370 nan 0.000 0.437 243 F N 1.179 121.152 119.950 0.039 0.000 2.410 243 F HA 0.324 4.858 4.527 0.011 0.000 0.348 243 F C 0.993 176.821 175.800 0.046 0.000 1.106 243 F CA -0.014 58.001 58.000 0.024 0.000 1.163 243 F CB 0.725 39.740 39.000 0.024 0.000 1.129 243 F HN -0.185 nan 8.300 nan 0.000 0.516 244 R N 3.824 124.443 120.500 0.198 0.000 2.725 244 R HA 0.570 4.916 4.340 0.010 0.000 0.277 244 R C -1.231 175.215 176.300 0.244 0.000 0.987 244 R CA -0.875 55.361 56.100 0.228 0.000 0.901 244 R CB 2.323 32.798 30.300 0.293 0.000 1.207 244 R HN 0.621 nan 8.270 nan 0.000 0.463 245 I N 1.444 122.160 120.570 0.242 0.000 2.433 245 I HA 0.211 4.387 4.170 0.010 0.000 0.292 245 I C 0.356 176.709 176.117 0.394 0.000 1.001 245 I CA -0.510 60.929 61.300 0.232 0.000 1.119 245 I CB 1.717 39.784 38.000 0.113 0.000 1.289 245 I HN 0.515 nan 8.210 nan 0.000 0.438 246 W N 3.040 124.382 121.300 0.070 0.000 2.481 246 W HA 0.004 4.670 4.660 0.010 0.000 0.293 246 W C 0.935 177.551 176.519 0.163 0.000 1.201 246 W CA 0.058 57.503 57.345 0.167 0.000 1.328 246 W CB -0.666 28.873 29.460 0.132 0.000 1.112 246 W HN 0.391 nan 8.180 nan 0.000 0.546 247 N N 0.336 119.199 118.700 0.272 0.000 2.441 247 N HA -0.007 4.739 4.740 0.010 0.000 0.251 247 N C 1.290 176.865 175.510 0.108 0.000 1.242 247 N CA 0.911 54.045 53.050 0.141 0.000 0.898 247 N CB 0.588 39.099 38.487 0.040 0.000 1.100 247 N HN -0.074 nan 8.380 nan 0.000 0.443 248 S N 0.480 116.236 115.700 0.093 0.000 2.436 248 S HA -0.036 4.440 4.470 0.010 0.000 0.228 248 S C 0.348 174.946 174.600 -0.004 0.000 1.014 248 S CA 0.635 58.876 58.200 0.068 0.000 0.950 248 S CB 0.065 63.327 63.200 0.103 0.000 0.784 248 S HN 0.651 nan 8.310 nan 0.000 0.504 249 Q N -0.631 119.154 119.800 -0.024 0.000 2.421 249 Q HA 0.502 4.848 4.340 0.010 0.000 0.280 249 Q C 0.253 176.177 176.000 -0.126 0.000 1.085 249 Q CA -0.546 55.205 55.803 -0.088 0.000 0.807 249 Q CB 2.031 30.747 28.738 -0.036 0.000 1.405 249 Q HN 0.135 nan 8.270 nan 0.000 0.419 250 L N 0.232 121.355 121.223 -0.167 0.000 2.083 250 L HA -0.020 4.326 4.340 0.010 0.000 0.209 250 L C 0.429 177.169 176.870 -0.218 0.000 1.083 250 L CA 0.962 55.706 54.840 -0.160 0.000 0.752 250 L CB 0.052 42.011 42.059 -0.168 0.000 0.899 250 L HN 0.274 nan 8.230 nan 0.000 0.433 251 V N 0.765 120.470 119.914 -0.349 0.000 2.444 251 V HA 0.468 4.594 4.120 0.010 0.000 0.294 251 V C -0.276 175.323 176.094 -0.824 0.000 1.022 251 V CA -0.611 61.312 62.300 -0.629 0.000 0.850 251 V CB 1.706 32.980 31.823 -0.915 0.000 0.992 251 V HN 0.211 nan 8.190 nan 0.000 0.426 252 R N 3.088 123.233 120.500 -0.592 0.000 2.566 252 R HA 0.432 4.778 4.340 0.010 0.000 0.271 252 R C -1.850 174.296 176.300 -0.256 0.000 1.071 252 R CA -0.852 55.027 56.100 -0.368 0.000 0.915 252 R CB 2.379 32.615 30.300 -0.107 0.000 1.228 252 R HN 0.562 nan 8.270 nan 0.000 0.449 253 Y N 0.821 121.129 120.300 0.013 0.000 2.309 253 Y HA 0.313 4.869 4.550 0.010 0.000 0.327 253 Y C 1.097 176.961 175.900 -0.061 0.000 1.172 253 Y CA -0.434 57.669 58.100 0.006 0.000 1.280 253 Y CB 0.693 39.221 38.460 0.114 0.000 1.234 253 Y HN 0.663 nan 8.280 nan 0.000 0.512 254 A N 1.804 124.647 122.820 0.039 0.000 2.520 254 A HA 0.477 4.803 4.320 0.010 0.000 0.235 254 A C 0.719 178.060 177.584 -0.405 0.000 1.065 254 A CA 0.349 52.250 52.037 -0.227 0.000 0.764 254 A CB -0.333 18.476 19.000 -0.317 0.000 1.002 254 A HN 0.968 nan 8.150 nan 0.000 0.502 255 G N 1.057 109.639 108.800 -0.363 0.000 2.814 255 G HA2 0.523 4.489 3.960 0.010 0.000 0.300 255 G HA3 0.523 4.489 3.960 0.010 0.000 0.300 255 G C -0.837 173.953 174.900 -0.183 0.000 1.406 255 G CA -0.302 44.635 45.100 -0.272 0.000 1.041 255 G HN 0.605 nan 8.290 nan 0.000 0.532 256 Y N 1.940 122.256 120.300 0.027 0.000 2.477 256 Y HA 0.341 4.897 4.550 0.010 0.000 0.349 256 Y C 1.046 176.947 175.900 0.002 0.000 0.977 256 Y CA -1.191 56.924 58.100 0.024 0.000 1.214 256 Y CB 1.085 39.555 38.460 0.017 0.000 1.124 256 Y HN 0.370 nan 8.280 nan 0.000 0.521 257 R N 3.593 124.189 120.500 0.159 0.000 2.446 257 R HA 0.015 4.361 4.340 0.010 0.000 0.314 257 R C -0.071 176.272 176.300 0.071 0.000 1.003 257 R CA 0.066 56.217 56.100 0.085 0.000 1.018 257 R CB 0.015 30.354 30.300 0.065 0.000 0.945 257 R HN 0.551 nan 8.270 nan 0.000 0.419 258 Q N 2.262 122.092 119.800 0.050 0.000 2.414 258 Q HA 0.032 4.378 4.340 0.010 0.000 0.206 258 Q C 0.778 176.787 176.000 0.016 0.000 1.058 258 Q CA -0.183 55.639 55.803 0.031 0.000 1.025 258 Q CB 0.489 29.240 28.738 0.023 0.000 1.196 258 Q HN 0.592 nan 8.270 nan 0.000 0.586 259 Q N 0.736 120.539 119.800 0.005 0.000 2.020 259 Q HA -0.103 4.243 4.340 0.010 0.000 0.198 259 Q C 1.063 177.065 176.000 0.003 0.000 0.974 259 Q CA 1.377 57.180 55.803 0.000 0.000 0.829 259 Q CB -0.090 28.644 28.738 -0.007 0.000 0.894 259 Q HN 0.737 nan 8.270 nan 0.000 0.433 260 D N -1.015 119.387 120.400 0.003 0.000 2.358 260 D HA -0.012 4.634 4.640 0.010 0.000 0.241 260 D C 0.962 177.266 176.300 0.007 0.000 1.094 260 D CA 0.855 54.858 54.000 0.003 0.000 0.907 260 D CB 0.142 40.943 40.800 0.002 0.000 0.893 260 D HN 0.377 nan 8.370 nan 0.000 0.528 261 G N 1.068 109.874 108.800 0.010 0.000 2.299 261 G HA2 -0.361 3.605 3.960 0.010 0.000 0.237 261 G HA3 -0.361 3.605 3.960 0.010 0.000 0.237 261 G C 0.623 175.531 174.900 0.013 0.000 1.027 261 G CA 0.457 45.564 45.100 0.012 0.000 0.619 261 G HN 0.722 nan 8.290 nan 0.000 0.513 262 S N -0.509 115.198 115.700 0.011 0.000 2.617 262 S HA 0.648 5.124 4.470 0.010 0.000 0.255 262 S C 0.174 174.779 174.600 0.008 0.000 1.318 262 S CA 0.239 58.443 58.200 0.007 0.000 0.978 262 S CB 1.933 65.136 63.200 0.004 0.000 0.961 262 S HN 1.217 nan 8.310 nan 0.000 0.582 263 V N 0.915 120.824 119.914 -0.007 0.000 2.604 263 V HA 0.555 4.681 4.120 0.010 0.000 0.305 263 V C 0.010 176.080 176.094 -0.039 0.000 1.043 263 V CA -0.851 61.441 62.300 -0.014 0.000 0.888 263 V CB 1.632 33.431 31.823 -0.040 0.000 0.995 263 V HN 0.931 nan 8.190 nan 0.000 0.429 264 R N 2.390 122.892 120.500 0.002 0.000 2.255 264 R HA 0.673 5.019 4.340 0.010 0.000 0.326 264 R C 0.608 176.837 176.300 -0.118 0.000 0.986 264 R CA 0.876 56.971 56.100 -0.010 0.000 0.847 264 R CB 1.057 31.425 30.300 0.114 0.000 1.111 264 R HN 1.157 nan 8.270 nan 0.000 0.452 265 G N 3.054 111.703 108.800 -0.252 0.000 2.709 265 G HA2 -0.243 3.723 3.960 0.010 0.000 0.228 265 G HA3 -0.243 3.723 3.960 0.010 0.000 0.228 265 G C -1.311 173.220 174.900 -0.615 0.000 1.215 265 G CA 0.016 44.898 45.100 -0.363 0.000 1.003 265 G HN 0.615 nan 8.290 nan 0.000 0.584 266 D N 1.734 121.922 120.400 -0.353 0.000 2.414 266 D HA 0.618 5.263 4.640 0.010 0.000 0.232 266 D C -1.334 174.882 176.300 -0.139 0.000 1.070 266 D CA -2.014 51.803 54.000 -0.305 0.000 0.839 266 D CB 1.768 42.685 40.800 0.196 0.000 1.079 266 D HN -0.011 nan 8.370 nan 0.000 0.521 267 P HA -0.078 nan 4.420 nan 0.000 0.223 267 P C 0.896 178.212 177.300 0.027 0.000 1.144 267 P CA 0.810 63.883 63.100 -0.045 0.000 0.783 267 P CB 0.303 31.985 31.700 -0.031 0.000 0.771 268 A N -0.300 122.556 122.820 0.059 0.000 2.015 268 A HA -0.112 4.214 4.320 0.010 0.000 0.219 268 A C 1.633 179.275 177.584 0.096 0.000 1.163 268 A CA 1.280 53.382 52.037 0.107 0.000 0.646 268 A CB -0.794 18.297 19.000 0.151 0.000 0.806 268 A HN 0.159 nan 8.150 nan 0.000 0.448 269 N N -0.119 118.622 118.700 0.070 0.000 2.273 269 N HA 0.154 4.900 4.740 0.010 0.000 0.231 269 N C 1.063 176.583 175.510 0.017 0.000 1.134 269 N CA 0.162 53.242 53.050 0.049 0.000 0.856 269 N CB 0.707 39.222 38.487 0.046 0.000 1.068 269 N HN 0.209 nan 8.380 nan 0.000 0.510 270 V N 1.102 121.030 119.914 0.022 0.000 2.255 270 V HA -0.262 3.864 4.120 0.010 0.000 0.247 270 V C 2.494 178.601 176.094 0.022 0.000 1.051 270 V CA 1.946 64.260 62.300 0.023 0.000 1.018 270 V CB -0.344 31.498 31.823 0.032 0.000 0.641 270 V HN 0.375 nan 8.190 nan 0.000 0.445 271 E N -0.140 120.072 120.200 0.020 0.000 2.058 271 E HA -0.275 4.081 4.350 0.010 0.000 0.194 271 E C 2.095 178.629 176.600 -0.110 0.000 0.997 271 E CA 1.904 58.289 56.400 -0.025 0.000 0.801 271 E CB -0.261 29.453 29.700 0.024 0.000 0.746 271 E HN 0.486 nan 8.360 nan 0.000 0.450 272 I N 0.785 121.310 120.570 -0.076 0.000 2.226 272 I HA -0.227 3.949 4.170 0.010 0.000 0.245 272 I C 2.023 178.105 176.117 -0.059 0.000 1.100 272 I CA 1.738 62.974 61.300 -0.108 0.000 1.374 272 I CB -0.561 37.428 38.000 -0.019 0.000 1.057 272 I HN 0.135 nan 8.210 nan 0.000 0.413 273 T N 0.616 115.165 114.554 -0.008 0.000 2.652 273 T HA -0.206 4.150 4.350 0.010 0.000 0.267 273 T C 1.709 176.493 174.700 0.140 0.000 1.039 273 T CA 1.946 64.089 62.100 0.073 0.000 1.153 273 T CB -0.418 68.509 68.868 0.099 0.000 0.863 273 T HN 0.495 nan 8.240 nan 0.000 0.428 274 E N 0.850 121.103 120.200 0.089 0.000 2.160 274 E HA -0.051 4.305 4.350 0.010 0.000 0.195 274 E C 2.181 178.820 176.600 0.065 0.000 0.991 274 E CA 0.700 57.150 56.400 0.084 0.000 0.810 274 E CB -0.307 29.417 29.700 0.040 0.000 0.742 274 E HN 0.414 nan 8.360 nan 0.000 0.466 275 L N 0.194 121.419 121.223 0.002 0.000 2.217 275 L HA -0.149 4.196 4.340 0.010 0.000 0.211 275 L C 2.359 179.330 176.870 0.167 0.000 1.107 275 L CA 0.462 55.327 54.840 0.041 0.000 0.783 275 L CB -0.169 41.794 42.059 -0.161 0.000 0.919 275 L HN 0.329 nan 8.230 nan 0.000 0.442 276 C N -0.213 119.155 119.300 0.113 0.000 2.466 276 C HA -0.102 4.364 4.460 0.010 0.000 0.278 276 C C 2.667 177.830 174.990 0.287 0.000 1.288 276 C CA 0.303 59.410 59.018 0.147 0.000 1.722 276 C CB -0.440 27.335 27.740 0.058 0.000 2.017 276 C HN 0.409 nan 8.230 nan 0.000 0.488 277 I N 0.576 121.318 120.570 0.287 0.000 2.163 277 I HA -0.262 3.914 4.170 0.010 0.000 0.240 277 I C 2.566 178.752 176.117 0.114 0.000 1.081 277 I CA 1.539 62.966 61.300 0.211 0.000 1.353 277 I CB -0.719 37.377 38.000 0.161 0.000 1.054 277 I HN 0.411 nan 8.210 nan 0.000 0.407 278 Q N -0.097 119.756 119.800 0.088 0.000 2.376 278 Q HA -0.216 4.130 4.340 0.010 0.000 0.211 278 Q C 1.246 177.164 176.000 -0.138 0.000 0.986 278 Q CA 1.063 56.855 55.803 -0.019 0.000 0.886 278 Q CB -0.171 28.554 28.738 -0.022 0.000 0.927 278 Q HN 0.635 nan 8.270 nan 0.000 0.457 279 H N -2.047 117.027 119.070 0.007 0.000 2.542 279 H HA 0.212 4.774 4.556 0.010 0.000 0.283 279 H C 0.956 176.272 175.328 -0.020 0.000 1.059 279 H CA 0.661 56.690 56.048 -0.031 0.000 1.162 279 H CB 1.323 31.036 29.762 -0.082 0.000 1.539 279 H HN 0.427 nan 8.280 nan 0.000 0.543 280 G N 0.845 109.694 108.800 0.082 0.000 2.179 280 G HA2 -0.231 3.735 3.960 0.010 0.000 0.220 280 G HA3 -0.231 3.735 3.960 0.010 0.000 0.220 280 G C -0.146 174.820 174.900 0.109 0.000 0.990 280 G CA -0.114 45.017 45.100 0.051 0.000 0.646 280 G HN 0.328 nan 8.290 nan 0.000 0.517 281 W N 2.264 123.554 121.300 -0.017 0.000 2.216 281 W HA 0.630 5.296 4.660 0.010 0.000 0.326 281 W C 0.233 176.746 176.519 -0.010 0.000 1.319 281 W CA 0.387 57.722 57.345 -0.015 0.000 1.213 281 W CB 0.888 30.353 29.460 0.009 0.000 1.171 281 W HN 0.001 nan 8.180 nan 0.000 0.557 282 T N 9.532 123.701 114.554 -0.642 0.000 2.794 282 T HA 0.186 4.542 4.350 0.010 0.000 0.304 282 T C -2.084 171.872 174.700 -1.239 0.000 0.973 282 T CA -1.020 60.689 62.100 -0.652 0.000 0.972 282 T CB 0.199 68.838 68.868 -0.383 0.000 0.952 282 T HN 0.213 nan 8.240 nan 0.000 0.509 283 P HA 0.179 nan 4.420 nan 0.000 0.267 283 P C 0.438 177.305 177.300 -0.722 0.000 1.200 283 P CA -0.083 62.337 63.100 -1.133 0.000 0.772 283 P CB 0.863 32.267 31.700 -0.494 0.000 0.855 284 G N 1.553 110.081 108.800 -0.454 0.000 2.695 284 G HA2 0.343 4.309 3.960 0.010 0.000 0.213 284 G HA3 0.343 4.309 3.960 0.010 0.000 0.213 284 G C -0.037 174.661 174.900 -0.337 0.000 1.406 284 G CA -0.631 44.356 45.100 -0.188 0.000 1.049 284 G HN 0.775 nan 8.290 nan 0.000 0.573 285 N N -1.603 117.056 118.700 -0.068 0.000 2.471 285 N HA 0.259 5.005 4.740 0.010 0.000 0.264 285 N C 0.245 175.848 175.510 0.155 0.000 1.493 285 N CA -0.349 52.637 53.050 -0.107 0.000 0.932 285 N CB 0.509 38.873 38.487 -0.205 0.000 1.405 285 N HN 0.699 nan 8.380 nan 0.000 0.505 286 G N 0.548 109.519 108.800 0.284 0.000 2.642 286 G HA2 0.336 4.302 3.960 0.010 0.000 0.291 286 G HA3 0.336 4.302 3.960 0.010 0.000 0.291 286 G C 0.455 175.382 174.900 0.046 0.000 1.345 286 G CA -0.710 44.473 45.100 0.139 0.000 1.043 286 G HN 0.169 nan 8.290 nan 0.000 0.528 287 R N -1.404 118.984 120.500 -0.187 0.000 2.265 287 R HA 0.184 4.530 4.340 0.010 0.000 0.194 287 R C -0.090 175.635 176.300 -0.959 0.000 0.931 287 R CA 0.466 56.244 56.100 -0.537 0.000 1.032 287 R CB 0.253 30.110 30.300 -0.738 0.000 0.980 287 R HN 0.388 nan 8.270 nan 0.000 0.497 288 F N 0.963 120.804 119.950 -0.182 0.000 2.761 288 F HA 0.262 4.796 4.527 0.010 0.000 0.367 288 F C -0.615 175.023 175.800 -0.270 0.000 1.386 288 F CA -1.038 56.575 58.000 -0.644 0.000 1.177 288 F CB 0.653 39.186 39.000 -0.779 0.000 1.092 288 F HN -0.267 nan 8.300 nan 0.000 0.517 289 D N 1.656 122.117 120.400 0.102 0.000 2.295 289 D HA 0.194 4.840 4.640 0.010 0.000 0.248 289 D C 0.195 176.707 176.300 0.353 0.000 1.154 289 D CA 0.088 54.257 54.000 0.282 0.000 0.857 289 D CB 2.366 43.413 40.800 0.413 0.000 1.117 289 D HN -0.068 nan 8.370 nan 0.000 0.468 290 V N 3.632 123.738 119.914 0.320 0.000 2.521 290 V HA 0.033 4.159 4.120 0.010 0.000 0.286 290 V C 1.011 177.080 176.094 -0.042 0.000 1.034 290 V CA -0.357 62.037 62.300 0.155 0.000 1.045 290 V CB 0.347 32.218 31.823 0.080 0.000 0.974 290 V HN 0.339 nan 8.190 nan 0.000 0.480 291 L N 8.001 129.107 121.223 -0.196 0.000 2.464 291 L HA 0.356 4.702 4.340 0.010 0.000 0.264 291 L C -1.685 174.916 176.870 -0.449 0.000 1.199 291 L CA -1.276 53.281 54.840 -0.471 0.000 0.818 291 L CB 0.892 42.732 42.059 -0.365 0.000 1.102 291 L HN 0.495 nan 8.230 nan 0.000 0.473 292 P HA 0.291 nan 4.420 nan 0.000 0.281 292 P C -1.288 175.865 177.300 -0.246 0.000 1.281 292 P CA -0.572 62.281 63.100 -0.413 0.000 0.811 292 P CB 1.122 32.462 31.700 -0.600 0.000 1.154 293 L N 0.679 121.851 121.223 -0.085 0.000 2.309 293 L HA 0.415 4.761 4.340 0.010 0.000 0.282 293 L C 0.428 177.287 176.870 -0.018 0.000 1.036 293 L CA -0.780 54.054 54.840 -0.010 0.000 0.806 293 L CB 0.876 42.996 42.059 0.103 0.000 1.220 293 L HN 0.188 nan 8.230 nan 0.000 0.429 294 L N 5.175 126.366 121.223 -0.054 0.000 2.287 294 L HA 0.431 4.777 4.340 0.010 0.000 0.280 294 L C -0.446 176.320 176.870 -0.174 0.000 1.055 294 L CA -0.225 54.489 54.840 -0.210 0.000 0.863 294 L CB 0.630 42.503 42.059 -0.310 0.000 1.245 294 L HN 0.462 nan 8.230 nan 0.000 0.432 295 L N 3.658 124.828 121.223 -0.088 0.000 2.343 295 L HA 0.531 4.877 4.340 0.010 0.000 0.275 295 L C -0.154 176.638 176.870 -0.130 0.000 1.056 295 L CA -0.429 54.389 54.840 -0.038 0.000 0.804 295 L CB 1.563 43.661 42.059 0.065 0.000 1.203 295 L HN 0.541 nan 8.230 nan 0.000 0.440 296 Q N 2.105 121.858 119.800 -0.078 0.000 2.309 296 Q HA 0.604 4.950 4.340 0.010 0.000 0.254 296 Q C -1.448 174.474 176.000 -0.130 0.000 0.938 296 Q CA -0.549 55.197 55.803 -0.094 0.000 0.789 296 Q CB 2.031 30.746 28.738 -0.038 0.000 1.313 296 Q HN 0.779 nan 8.270 nan 0.000 0.438 297 A N 4.648 127.345 122.820 -0.206 0.000 2.313 297 A HA 0.629 4.955 4.320 0.010 0.000 0.261 297 A C -2.372 174.923 177.584 -0.481 0.000 1.090 297 A CA -1.355 50.388 52.037 -0.490 0.000 0.807 297 A CB -0.062 18.768 19.000 -0.283 0.000 1.055 297 A HN 0.636 nan 8.150 nan 0.000 0.492 298 P HA 0.057 nan 4.420 nan 0.000 0.262 298 P C -0.426 176.769 177.300 -0.175 0.000 1.182 298 P CA 0.769 63.650 63.100 -0.365 0.000 0.761 298 P CB 0.198 31.693 31.700 -0.342 0.000 0.795 299 D N -0.081 120.264 120.400 -0.093 0.000 3.077 299 D HA -0.188 4.458 4.640 0.010 0.000 0.217 299 D C -0.130 176.153 176.300 -0.029 0.000 1.162 299 D CA 1.373 55.349 54.000 -0.039 0.000 0.943 299 D CB -0.711 40.071 40.800 -0.031 0.000 1.122 299 D HN 0.571 nan 8.370 nan 0.000 0.413 300 E N -0.424 119.747 120.200 -0.048 0.000 2.235 300 E HA 0.679 5.035 4.350 0.010 0.000 0.265 300 E C 0.166 176.753 176.600 -0.022 0.000 0.940 300 E CA -0.696 55.683 56.400 -0.035 0.000 0.819 300 E CB 1.513 31.181 29.700 -0.054 0.000 1.206 300 E HN 0.143 nan 8.360 nan 0.000 0.409 301 A N 2.259 125.069 122.820 -0.016 0.000 2.327 301 A HA 0.322 4.648 4.320 0.010 0.000 0.255 301 A C -2.109 175.402 177.584 -0.122 0.000 1.099 301 A CA -0.949 51.078 52.037 -0.017 0.000 0.801 301 A CB -0.349 18.658 19.000 0.012 0.000 1.062 301 A HN 0.382 nan 8.150 nan 0.000 0.496 302 P HA 0.260 nan 4.420 nan 0.000 0.286 302 P C -0.765 176.333 177.300 -0.337 0.000 1.269 302 P CA -0.060 62.754 63.100 -0.477 0.000 0.787 302 P CB 0.949 31.951 31.700 -1.163 0.000 0.920 303 E N 1.474 121.538 120.200 -0.226 0.000 2.318 303 E HA 0.386 4.742 4.350 0.010 0.000 0.265 303 E C -0.572 175.818 176.600 -0.350 0.000 1.069 303 E CA -0.879 55.366 56.400 -0.259 0.000 0.893 303 E CB 0.909 30.495 29.700 -0.190 0.000 1.076 303 E HN 0.320 nan 8.360 nan 0.000 0.414 304 L N 2.753 123.662 121.223 -0.522 0.000 2.313 304 L HA 0.449 4.795 4.340 0.010 0.000 0.283 304 L C -1.699 174.747 176.870 -0.706 0.000 1.013 304 L CA -0.098 54.484 54.840 -0.431 0.000 0.816 304 L CB 0.366 42.277 42.059 -0.247 0.000 1.236 304 L HN 0.364 nan 8.230 nan 0.000 0.419 305 F N 4.057 123.849 119.950 -0.264 0.000 2.532 305 F HA 0.607 5.141 4.527 0.011 0.000 0.321 305 F C -0.249 175.368 175.800 -0.306 0.000 1.089 305 F CA -0.909 56.831 58.000 -0.433 0.000 0.926 305 F CB 2.110 40.621 39.000 -0.816 0.000 1.168 305 F HN 0.039 nan 8.300 nan 0.000 0.459 306 V N 4.510 124.360 119.914 -0.107 0.000 2.370 306 V HA 0.325 4.451 4.120 0.010 0.000 0.279 306 V C 0.011 176.165 176.094 0.100 0.000 1.029 306 V CA -0.828 61.474 62.300 0.003 0.000 0.870 306 V CB 1.269 33.130 31.823 0.062 0.000 0.984 306 V HN 0.524 nan 8.190 nan 0.000 0.451 307 L N 7.223 128.545 121.223 0.164 0.000 2.453 307 L HA 0.277 4.623 4.340 0.010 0.000 0.272 307 L C -2.147 174.827 176.870 0.174 0.000 1.182 307 L CA -1.355 53.630 54.840 0.243 0.000 0.858 307 L CB 0.185 42.331 42.059 0.144 0.000 1.120 307 L HN 0.416 nan 8.230 nan 0.000 0.474 308 P HA 0.116 nan 4.420 nan 0.000 0.271 308 P C -2.022 175.335 177.300 0.096 0.000 1.233 308 P CA -1.076 62.102 63.100 0.131 0.000 0.764 308 P CB 0.517 32.294 31.700 0.128 0.000 0.825 309 P HA -0.250 nan 4.420 nan 0.000 0.218 309 P C 1.269 178.604 177.300 0.058 0.000 1.146 309 P CA 1.333 64.478 63.100 0.075 0.000 0.820 309 P CB -0.157 31.589 31.700 0.077 0.000 0.778 310 E N -0.412 119.820 120.200 0.054 0.000 2.204 310 E HA -0.142 4.214 4.350 0.010 0.000 0.195 310 E C 1.768 178.390 176.600 0.036 0.000 0.990 310 E CA 0.889 57.313 56.400 0.040 0.000 0.821 310 E CB -1.008 28.715 29.700 0.037 0.000 0.750 310 E HN 0.252 nan 8.360 nan 0.000 0.477 311 L N 1.123 122.372 121.223 0.042 0.000 2.131 311 L HA 0.026 4.372 4.340 0.010 0.000 0.206 311 L C 0.960 177.850 176.870 0.034 0.000 1.087 311 L CA 0.301 55.161 54.840 0.033 0.000 0.767 311 L CB 0.194 42.272 42.059 0.031 0.000 0.917 311 L HN 0.029 nan 8.230 nan 0.000 0.441 312 V N 2.639 122.575 119.914 0.036 0.000 2.287 312 V HA 0.040 4.166 4.120 0.010 0.000 0.246 312 V C 0.253 176.376 176.094 0.048 0.000 1.165 312 V CA -0.412 61.906 62.300 0.030 0.000 1.088 312 V CB 0.246 32.075 31.823 0.011 0.000 1.242 312 V HN 0.095 nan 8.190 nan 0.000 0.497 313 L N 5.413 126.669 121.223 0.055 0.000 2.455 313 L HA 0.320 4.666 4.340 0.010 0.000 0.272 313 L C 0.263 177.166 176.870 0.056 0.000 1.174 313 L CA 0.879 55.744 54.840 0.042 0.000 0.869 313 L CB 0.187 42.266 42.059 0.033 0.000 1.130 313 L HN 0.650 nan 8.230 nan 0.000 0.474 314 E N 3.326 123.534 120.200 0.014 0.000 2.336 314 E HA 0.607 4.963 4.350 0.010 0.000 0.267 314 E C -1.468 175.062 176.600 -0.117 0.000 0.906 314 E CA -1.064 55.334 56.400 -0.004 0.000 0.781 314 E CB 2.382 32.107 29.700 0.043 0.000 1.261 314 E HN 0.372 nan 8.360 nan 0.000 0.436 315 V N 2.838 122.635 119.914 -0.195 0.000 2.407 315 V HA 0.328 4.454 4.120 0.010 0.000 0.291 315 V C -2.322 173.679 176.094 -0.155 0.000 1.018 315 V CA -1.862 60.264 62.300 -0.290 0.000 0.842 315 V CB 1.347 32.742 31.823 -0.713 0.000 0.996 315 V HN 0.538 nan 8.190 nan 0.000 0.426 316 P HA 0.323 nan 4.420 nan 0.000 0.280 316 P C -0.786 176.507 177.300 -0.012 0.000 1.244 316 P CA -0.210 62.851 63.100 -0.065 0.000 0.784 316 P CB 1.198 32.872 31.700 -0.044 0.000 0.913 317 L N 3.385 124.642 121.223 0.056 0.000 2.326 317 L HA 0.434 4.780 4.340 0.010 0.000 0.278 317 L C 1.100 178.113 176.870 0.239 0.000 1.092 317 L CA -0.152 54.781 54.840 0.154 0.000 0.810 317 L CB 0.428 42.650 42.059 0.271 0.000 1.153 317 L HN 0.504 nan 8.230 nan 0.000 0.439 318 E N 1.567 121.862 120.200 0.159 0.000 2.390 318 E HA 0.362 4.718 4.350 0.010 0.000 0.277 318 E C -1.357 175.242 176.600 -0.003 0.000 0.939 318 E CA -0.947 55.560 56.400 0.178 0.000 0.769 318 E CB 2.012 31.799 29.700 0.145 0.000 1.251 318 E HN 0.488 nan 8.360 nan 0.000 0.450 319 H N 2.280 121.213 119.070 -0.228 0.000 2.467 319 H HA 0.203 4.765 4.556 0.010 0.000 0.331 319 H C -1.626 173.447 175.328 -0.425 0.000 1.120 319 H CA -2.132 53.655 56.048 -0.434 0.000 1.270 319 H CB 1.899 31.332 29.762 -0.548 0.000 1.466 319 H HN 0.458 nan 8.280 nan 0.000 0.504 320 P HA -0.106 nan 4.420 nan 0.000 0.222 320 P C 0.904 177.999 177.300 -0.342 0.000 1.147 320 P CA 1.480 64.051 63.100 -0.882 0.000 0.790 320 P CB 0.468 31.562 31.700 -1.010 0.000 0.780 321 T N -4.951 109.556 114.554 -0.079 0.000 3.010 321 T HA 0.185 4.540 4.350 0.010 0.000 0.253 321 T C 0.693 175.379 174.700 -0.023 0.000 0.939 321 T CA -0.225 61.875 62.100 -0.001 0.000 0.910 321 T CB -0.539 68.341 68.868 0.020 0.000 1.226 321 T HN -0.079 nan 8.240 nan 0.000 0.508 322 L N 2.584 123.768 121.223 -0.065 0.000 2.342 322 L HA 0.432 4.778 4.340 0.010 0.000 0.285 322 L C 1.321 177.858 176.870 -0.555 0.000 1.095 322 L CA -0.246 54.248 54.840 -0.577 0.000 0.843 322 L CB 0.911 42.214 42.059 -1.261 0.000 1.201 322 L HN 0.238 nan 8.230 nan 0.000 0.445 323 E N 3.619 123.624 120.200 -0.325 0.000 2.204 323 E HA -0.164 4.192 4.350 0.010 0.000 0.194 323 E C 1.504 178.066 176.600 -0.063 0.000 0.989 323 E CA 1.297 57.622 56.400 -0.125 0.000 0.824 323 E CB 0.129 29.833 29.700 0.006 0.000 0.756 323 E HN 0.774 nan 8.360 nan 0.000 0.477 324 W N -0.716 120.639 121.300 0.092 0.000 2.678 324 W HA 0.006 4.673 4.660 0.010 0.000 0.256 324 W C 1.354 177.929 176.519 0.093 0.000 1.280 324 W CA -0.258 57.129 57.345 0.070 0.000 1.345 324 W CB -0.894 28.583 29.460 0.029 0.000 1.118 324 W HN -0.018 nan 8.180 nan 0.000 0.629 325 F N 3.027 122.754 119.950 -0.372 0.000 2.091 325 F HA -0.189 4.344 4.527 0.010 0.000 0.299 325 F C 2.738 178.573 175.800 0.057 0.000 1.103 325 F CA 3.195 61.107 58.000 -0.147 0.000 1.228 325 F CB -0.553 38.245 39.000 -0.338 0.000 0.984 325 F HN -0.078 nan 8.300 nan 0.000 0.477 326 A N 0.110 123.080 122.820 0.249 0.000 1.986 326 A HA -0.183 4.143 4.320 0.010 0.000 0.220 326 A C 2.297 179.955 177.584 0.124 0.000 1.171 326 A CA 1.717 53.866 52.037 0.186 0.000 0.640 326 A CB -1.497 17.581 19.000 0.130 0.000 0.811 326 A HN 0.484 nan 8.150 nan 0.000 0.451 327 A N -0.971 121.929 122.820 0.133 0.000 2.070 327 A HA 0.058 4.384 4.320 0.010 0.000 0.220 327 A C 1.769 179.401 177.584 0.080 0.000 1.159 327 A CA 1.356 53.461 52.037 0.113 0.000 0.656 327 A CB -0.383 18.705 19.000 0.146 0.000 0.800 327 A HN 0.379 nan 8.150 nan 0.000 0.453 328 L N -0.845 120.403 121.223 0.041 0.000 2.362 328 L HA 0.063 4.409 4.340 0.010 0.000 0.219 328 L C 1.885 178.786 176.870 0.051 0.000 1.134 328 L CA 1.193 56.029 54.840 -0.006 0.000 0.807 328 L CB -1.510 40.438 42.059 -0.185 0.000 0.927 328 L HN 0.661 nan 8.230 nan 0.000 0.447 329 G N -0.215 108.621 108.800 0.060 0.000 2.249 329 G HA2 -0.287 3.679 3.960 0.010 0.000 0.273 329 G HA3 -0.287 3.679 3.960 0.010 0.000 0.273 329 G C 0.311 175.245 174.900 0.057 0.000 1.036 329 G CA 0.326 45.471 45.100 0.075 0.000 0.824 329 G HN 0.317 nan 8.290 nan 0.000 0.504 330 L N -0.470 120.758 121.223 0.008 0.000 2.399 330 L HA 0.835 5.181 4.340 0.010 0.000 0.266 330 L C 1.069 177.751 176.870 -0.312 0.000 1.114 330 L CA -0.793 53.977 54.840 -0.118 0.000 0.804 330 L CB 1.100 43.200 42.059 0.068 0.000 1.146 330 L HN 0.581 nan 8.230 nan 0.000 0.451 331 R N 1.030 121.119 120.500 -0.685 0.000 2.728 331 R HA 0.485 4.831 4.340 0.010 0.000 0.274 331 R C -2.167 174.012 176.300 -0.202 0.000 1.030 331 R CA -1.002 54.855 56.100 -0.405 0.000 0.876 331 R CB 1.771 31.781 30.300 -0.484 0.000 1.259 331 R HN 0.631 nan 8.270 nan 0.000 0.468 332 W N 1.644 122.862 121.300 -0.138 0.000 3.118 332 W HA 0.370 5.036 4.660 0.009 0.000 0.328 332 W C -1.264 175.289 176.519 0.058 0.000 1.239 332 W CA -0.998 56.339 57.345 -0.014 0.000 1.176 332 W CB 2.091 31.481 29.460 -0.117 0.000 1.433 332 W HN 0.689 nan 8.180 nan 0.000 0.562 333 Y N 1.033 121.156 120.300 -0.294 0.000 2.301 333 Y HA 0.567 5.122 4.550 0.009 0.000 0.325 333 Y C 0.776 176.881 175.900 0.343 0.000 1.203 333 Y CA -0.050 58.029 58.100 -0.036 0.000 1.255 333 Y CB 0.416 38.749 38.460 -0.212 0.000 1.232 333 Y HN 0.361 nan 8.280 nan 0.000 0.501 334 A N 2.724 125.797 122.820 0.420 0.000 2.014 334 A HA 0.029 4.355 4.320 0.010 0.000 0.218 334 A C 0.549 178.501 177.584 0.614 0.000 1.163 334 A CA 0.458 52.806 52.037 0.517 0.000 0.652 334 A CB -0.345 18.800 19.000 0.242 0.000 0.808 334 A HN 0.690 nan 8.150 nan 0.000 0.449 335 L N 1.920 123.462 121.223 0.531 0.000 2.262 335 L HA 0.403 4.749 4.340 0.010 0.000 0.288 335 L C -2.529 174.524 176.870 0.305 0.000 1.035 335 L CA -2.195 52.857 54.840 0.352 0.000 0.820 335 L CB 1.529 43.719 42.059 0.220 0.000 1.204 335 L HN -0.020 nan 8.230 nan 0.000 0.424 336 P HA 0.322 nan 4.420 nan 0.000 0.291 336 P C -1.435 175.776 177.300 -0.148 0.000 1.340 336 P CA -0.354 62.620 63.100 -0.210 0.000 0.799 336 P CB 1.357 32.472 31.700 -0.975 0.000 0.917 337 A N 4.691 127.441 122.820 -0.118 0.000 2.409 337 A HA 0.415 4.741 4.320 0.010 0.000 0.300 337 A C -0.098 177.256 177.584 -0.383 0.000 1.273 337 A CA -0.672 51.215 52.037 -0.249 0.000 0.774 337 A CB 0.690 19.570 19.000 -0.200 0.000 1.144 337 A HN 0.306 nan 8.150 nan 0.000 0.472 338 V N 2.630 122.141 119.914 -0.672 0.000 2.655 338 V HA 0.229 4.355 4.120 0.010 0.000 0.300 338 V C 1.183 176.857 176.094 -0.699 0.000 1.044 338 V CA 1.287 63.153 62.300 -0.723 0.000 1.095 338 V CB 1.205 32.390 31.823 -1.063 0.000 0.952 338 V HN 1.096 nan 8.190 nan 0.000 0.485 339 S N 1.225 116.722 115.700 -0.339 0.000 2.847 339 S HA 0.084 4.560 4.470 0.010 0.000 0.254 339 S C 0.642 175.213 174.600 -0.048 0.000 1.039 339 S CA 0.015 58.100 58.200 -0.190 0.000 1.113 339 S CB -0.412 62.717 63.200 -0.117 0.000 1.092 339 S HN 0.931 nan 8.310 nan 0.000 0.620 340 N N 0.468 119.150 118.700 -0.031 0.000 2.200 340 N HA 0.317 5.063 4.740 0.010 0.000 0.224 340 N C -0.029 175.522 175.510 0.069 0.000 1.179 340 N CA -0.532 52.543 53.050 0.042 0.000 0.877 340 N CB 0.201 38.722 38.487 0.057 0.000 1.072 340 N HN 0.236 nan 8.380 nan 0.000 0.519 341 M N 1.507 121.148 119.600 0.070 0.000 2.314 341 M HA 0.299 4.785 4.480 0.010 0.000 0.342 341 M C -0.481 175.937 176.300 0.197 0.000 1.171 341 M CA -0.743 54.631 55.300 0.125 0.000 1.098 341 M CB 2.473 35.160 32.600 0.144 0.000 1.559 341 M HN 0.165 nan 8.290 nan 0.000 0.459 342 L N 3.580 124.903 121.223 0.167 0.000 2.292 342 L HA 0.430 4.776 4.340 0.010 0.000 0.284 342 L C -1.187 175.800 176.870 0.195 0.000 1.065 342 L CA -0.847 54.090 54.840 0.161 0.000 0.806 342 L CB 0.915 43.024 42.059 0.083 0.000 1.175 342 L HN 0.574 nan 8.230 nan 0.000 0.431 343 L N 5.602 126.946 121.223 0.202 0.000 2.264 343 L HA 0.403 4.749 4.340 0.010 0.000 0.287 343 L C -0.386 176.507 176.870 0.038 0.000 1.039 343 L CA 0.222 55.084 54.840 0.036 0.000 0.829 343 L CB 0.934 43.014 42.059 0.034 0.000 1.211 343 L HN 0.606 nan 8.230 nan 0.000 0.427 344 E N 6.546 126.687 120.200 -0.098 0.000 2.134 344 E HA 0.370 4.726 4.350 0.010 0.000 0.278 344 E C -1.454 175.051 176.600 -0.158 0.000 0.959 344 E CA -0.357 56.000 56.400 -0.071 0.000 0.783 344 E CB 0.922 30.580 29.700 -0.071 0.000 1.095 344 E HN 0.715 nan 8.360 nan 0.000 0.399 345 I N 2.466 122.949 120.570 -0.144 0.000 2.478 345 I HA 0.257 4.433 4.170 0.010 0.000 0.287 345 I C 0.869 176.767 176.117 -0.365 0.000 1.042 345 I CA -0.770 60.309 61.300 -0.368 0.000 1.067 345 I CB 2.030 39.706 38.000 -0.540 0.000 1.233 345 I HN 0.769 nan 8.210 nan 0.000 0.431 346 G N 4.220 112.837 108.800 -0.304 0.000 2.379 346 G HA2 -0.132 3.834 3.960 0.010 0.000 0.297 346 G HA3 -0.132 3.834 3.960 0.010 0.000 0.297 346 G C 1.035 176.022 174.900 0.144 0.000 1.004 346 G CA 0.909 46.035 45.100 0.043 0.000 0.921 346 G HN 1.537 nan 8.290 nan 0.000 0.511 347 G N -1.848 106.982 108.800 0.050 0.000 2.299 347 G HA2 -0.249 3.717 3.960 0.010 0.000 0.237 347 G HA3 -0.249 3.717 3.960 0.010 0.000 0.237 347 G C 0.637 175.522 174.900 -0.024 0.000 1.027 347 G CA 0.403 45.538 45.100 0.058 0.000 0.619 347 G HN 1.249 nan 8.290 nan 0.000 0.513 348 L N 0.839 121.998 121.223 -0.106 0.000 2.452 348 L HA 0.538 4.884 4.340 0.010 0.000 0.267 348 L C 0.438 177.155 176.870 -0.255 0.000 1.188 348 L CA 0.047 54.721 54.840 -0.277 0.000 0.821 348 L CB 0.655 42.460 42.059 -0.422 0.000 1.102 348 L HN 0.225 nan 8.230 nan 0.000 0.470 349 E N 1.949 121.903 120.200 -0.411 0.000 2.220 349 E HA 0.312 4.668 4.350 0.010 0.000 0.256 349 E C -1.521 174.826 176.600 -0.422 0.000 0.881 349 E CA -0.311 55.924 56.400 -0.275 0.000 0.766 349 E CB 1.359 30.968 29.700 -0.152 0.000 1.187 349 E HN 0.258 nan 8.360 nan 0.000 0.419 350 F N 2.072 121.982 119.950 -0.067 0.000 2.334 350 F HA 0.085 4.619 4.527 0.011 0.000 0.365 350 F C 1.657 177.484 175.800 0.045 0.000 1.124 350 F CA -0.422 57.565 58.000 -0.021 0.000 1.166 350 F CB 1.057 40.025 39.000 -0.052 0.000 1.355 350 F HN 0.411 nan 8.300 nan 0.000 0.532 351 S N 1.671 117.461 115.700 0.150 0.000 2.515 351 S HA 0.253 4.729 4.470 0.010 0.000 0.231 351 S C 0.745 175.469 174.600 0.206 0.000 0.987 351 S CA 0.283 58.573 58.200 0.151 0.000 0.936 351 S CB 0.053 63.318 63.200 0.108 0.000 0.766 351 S HN 0.509 nan 8.310 nan 0.000 0.528 352 A N 0.462 123.449 122.820 0.278 0.000 2.466 352 A HA 0.830 5.156 4.320 0.010 0.000 0.291 352 A C -0.196 177.643 177.584 0.425 0.000 1.234 352 A CA -0.174 52.058 52.037 0.325 0.000 0.752 352 A CB 0.873 20.053 19.000 0.301 0.000 1.153 352 A HN 1.036 nan 8.150 nan 0.000 0.458 353 A N 4.023 127.035 122.820 0.321 0.000 3.399 353 A HA 0.621 4.947 4.320 0.010 0.000 0.262 353 A C -3.031 174.689 177.584 0.227 0.000 1.145 353 A CA -0.893 51.290 52.037 0.243 0.000 0.916 353 A CB 0.348 19.484 19.000 0.227 0.000 1.360 353 A HN 0.499 nan 8.150 nan 0.000 0.628 354 P HA 0.367 nan 4.420 nan 0.000 0.265 354 P C -0.730 176.552 177.300 -0.031 0.000 1.193 354 P CA 0.536 63.580 63.100 -0.093 0.000 0.765 354 P CB 0.177 31.782 31.700 -0.159 0.000 0.823 355 F N -0.022 119.838 119.950 -0.151 0.000 2.576 355 F HA 0.764 5.296 4.527 0.009 0.000 0.313 355 F C -0.479 175.214 175.800 -0.178 0.000 1.078 355 F CA -1.195 56.721 58.000 -0.140 0.000 0.921 355 F CB 1.712 40.524 39.000 -0.312 0.000 1.232 355 F HN 0.397 nan 8.300 nan 0.000 0.459 356 S N 0.853 116.623 115.700 0.116 0.000 2.588 356 S HA 0.980 5.456 4.470 0.010 0.000 0.275 356 S C -0.756 173.796 174.600 -0.080 0.000 1.130 356 S CA -0.116 58.088 58.200 0.006 0.000 0.855 356 S CB 1.596 64.884 63.200 0.147 0.000 1.116 356 S HN 1.516 nan 8.310 nan 0.000 0.472 357 G N -0.088 108.622 108.800 -0.149 0.000 3.354 357 G HA2 0.703 4.669 3.960 0.010 0.000 0.174 357 G HA3 0.703 4.669 3.960 0.010 0.000 0.174 357 G C -1.685 173.200 174.900 -0.026 0.000 1.140 357 G CA -0.232 44.717 45.100 -0.252 0.000 0.897 357 G HN 1.230 nan 8.290 nan 0.000 0.685 358 W N -1.079 120.206 121.300 -0.024 0.000 3.107 358 W HA 0.821 5.486 4.660 0.008 0.000 0.331 358 W C -1.677 174.821 176.519 -0.035 0.000 1.204 358 W CA -2.326 55.025 57.345 0.009 0.000 1.184 358 W CB 0.325 29.835 29.460 0.084 0.000 1.421 358 W HN 0.444 nan 8.180 nan 0.000 0.544 359 Y N 2.772 123.245 120.300 0.289 0.000 2.357 359 Y HA 0.275 4.832 4.550 0.010 0.000 0.340 359 Y C 0.921 176.876 175.900 0.092 0.000 1.260 359 Y CA -0.445 57.706 58.100 0.085 0.000 1.425 359 Y CB 0.995 39.399 38.460 -0.093 0.000 1.326 359 Y HN 0.482 nan 8.280 nan 0.000 0.580 360 M N 1.742 121.471 119.600 0.215 0.000 2.268 360 M HA 0.207 4.693 4.480 0.010 0.000 0.344 360 M C 1.031 177.330 176.300 -0.001 0.000 1.106 360 M CA -0.378 54.989 55.300 0.111 0.000 1.010 360 M CB 1.297 33.940 32.600 0.071 0.000 1.649 360 M HN 0.844 nan 8.290 nan 0.000 0.443 361 S N 1.410 117.073 115.700 -0.062 0.000 2.407 361 S HA -0.190 4.286 4.470 0.010 0.000 0.235 361 S C 1.352 175.830 174.600 -0.203 0.000 1.036 361 S CA 2.209 60.303 58.200 -0.178 0.000 1.013 361 S CB -1.300 61.837 63.200 -0.106 0.000 0.820 361 S HN 0.922 nan 8.310 nan 0.000 0.476 362 T N -0.966 113.496 114.554 -0.152 0.000 3.072 362 T HA 0.133 4.489 4.350 0.010 0.000 0.266 362 T C 1.471 176.029 174.700 -0.238 0.000 1.127 362 T CA 0.904 62.867 62.100 -0.228 0.000 1.107 362 T CB -0.379 68.314 68.868 -0.292 0.000 0.910 362 T HN 0.572 nan 8.240 nan 0.000 0.513 363 E N 0.749 120.824 120.200 -0.208 0.000 2.072 363 E HA 0.018 4.374 4.350 0.010 0.000 0.191 363 E C 1.905 178.256 176.600 -0.415 0.000 0.985 363 E CA 1.090 57.371 56.400 -0.197 0.000 0.801 363 E CB -0.170 29.548 29.700 0.031 0.000 0.750 363 E HN 0.569 nan 8.360 nan 0.000 0.452 364 I N -0.018 120.171 120.570 -0.636 0.000 2.260 364 I HA -0.077 4.099 4.170 0.010 0.000 0.237 364 I C 2.553 178.323 176.117 -0.578 0.000 1.075 364 I CA 0.969 61.707 61.300 -0.938 0.000 1.376 364 I CB -0.559 36.790 38.000 -1.086 0.000 1.107 364 I HN 0.135 nan 8.210 nan 0.000 0.420 365 G N 0.004 108.569 108.800 -0.392 0.000 2.450 365 G HA2 -0.186 3.780 3.960 0.010 0.000 0.220 365 G HA3 -0.186 3.780 3.960 0.010 0.000 0.220 365 G C 1.596 176.390 174.900 -0.177 0.000 1.130 365 G CA 1.628 46.593 45.100 -0.226 0.000 0.760 365 G HN 0.326 nan 8.290 nan 0.000 0.557 366 T N -0.438 113.988 114.554 -0.214 0.000 3.045 366 T HA 0.124 4.480 4.350 0.010 0.000 0.239 366 T C 2.490 177.087 174.700 -0.171 0.000 1.008 366 T CA 0.128 62.122 62.100 -0.176 0.000 1.143 366 T CB 0.178 68.926 68.868 -0.200 0.000 0.894 366 T HN 0.030 nan 8.240 nan 0.000 0.451 367 R N 2.164 122.541 120.500 -0.206 0.000 2.052 367 R HA 0.186 4.532 4.340 0.010 0.000 0.224 367 R C 2.168 178.362 176.300 -0.177 0.000 1.165 367 R CA 0.979 56.967 56.100 -0.188 0.000 0.939 367 R CB -1.220 28.971 30.300 -0.181 0.000 0.834 367 R HN 0.313 nan 8.270 nan 0.000 0.435 368 N N 1.237 119.793 118.700 -0.240 0.000 2.104 368 N HA -0.116 4.630 4.740 0.010 0.000 0.190 368 N C 1.937 177.414 175.510 -0.054 0.000 1.024 368 N CA 1.157 54.086 53.050 -0.202 0.000 0.853 368 N CB -0.250 37.835 38.487 -0.669 0.000 1.008 368 N HN 0.204 nan 8.380 nan 0.000 0.424 369 L N -0.731 120.397 121.223 -0.159 0.000 2.416 369 L HA 0.098 4.444 4.340 0.010 0.000 0.216 369 L C 1.221 178.131 176.870 0.067 0.000 1.098 369 L CA 0.302 55.141 54.840 -0.001 0.000 0.840 369 L CB 0.235 42.265 42.059 -0.048 0.000 0.981 369 L HN 0.173 nan 8.230 nan 0.000 0.462 370 C N -1.959 117.339 119.300 -0.003 0.000 3.364 370 C HA 0.191 4.657 4.460 0.010 0.000 0.340 370 C C 0.727 175.705 174.990 -0.021 0.000 1.336 370 C CA -0.885 58.138 59.018 0.008 0.000 1.778 370 C CB 0.033 27.763 27.740 -0.017 0.000 2.398 370 C HN 0.276 nan 8.230 nan 0.000 0.667 371 D N 3.156 123.507 120.400 -0.081 0.000 2.525 371 D HA 0.026 4.672 4.640 0.010 0.000 0.235 371 D C -1.072 175.184 176.300 -0.074 0.000 1.137 371 D CA -1.069 52.841 54.000 -0.151 0.000 0.868 371 D CB 0.708 41.256 40.800 -0.421 0.000 1.180 371 D HN 0.207 nan 8.370 nan 0.000 0.465 372 P HA -0.167 nan 4.420 nan 0.000 0.218 372 P C 0.687 178.064 177.300 0.129 0.000 1.148 372 P CA 1.341 64.507 63.100 0.110 0.000 0.822 372 P CB -0.056 31.733 31.700 0.148 0.000 0.784 373 H N -2.077 117.006 119.070 0.021 0.000 2.538 373 H HA 0.351 4.913 4.556 0.010 0.000 0.286 373 H C 0.956 176.297 175.328 0.022 0.000 1.035 373 H CA -0.222 55.837 56.048 0.017 0.000 1.169 373 H CB -0.121 29.650 29.762 0.015 0.000 1.417 373 H HN -0.004 nan 8.280 nan 0.000 0.567 374 R N -0.241 120.193 120.500 -0.110 0.000 2.845 374 R HA 0.175 4.521 4.340 0.010 0.000 0.112 374 R C 1.103 177.386 176.300 -0.029 0.000 1.012 374 R CA -0.648 55.420 56.100 -0.053 0.000 0.744 374 R CB -0.849 29.447 30.300 -0.007 0.000 0.926 374 R HN 0.096 nan 8.270 nan 0.000 0.376 375 Y N 1.671 122.003 120.300 0.054 0.000 2.421 375 Y HA 0.029 4.585 4.550 0.010 0.000 0.292 375 Y C 0.617 176.555 175.900 0.065 0.000 1.136 375 Y CA 0.997 59.147 58.100 0.084 0.000 1.255 375 Y CB -0.263 38.294 38.460 0.162 0.000 0.991 375 Y HN 0.490 nan 8.280 nan 0.000 0.552 376 N N 0.924 119.724 118.700 0.167 0.000 2.688 376 N HA -0.224 4.522 4.740 0.010 0.000 0.258 376 N C 0.510 176.108 175.510 0.147 0.000 1.016 376 N CA 0.434 53.558 53.050 0.123 0.000 0.747 376 N CB -1.033 37.507 38.487 0.088 0.000 0.895 376 N HN 0.605 nan 8.380 nan 0.000 0.543 377 I N -2.832 117.839 120.570 0.169 0.000 3.812 377 I HA 0.033 4.209 4.170 0.010 0.000 0.320 377 I C 1.608 177.824 176.117 0.165 0.000 1.276 377 I CA -0.354 61.042 61.300 0.160 0.000 1.164 377 I CB 0.076 38.176 38.000 0.167 0.000 1.009 377 I HN 0.085 nan 8.210 nan 0.000 0.431 378 L N 1.538 122.869 121.223 0.180 0.000 1.989 378 L HA -0.190 4.156 4.340 0.010 0.000 0.211 378 L C 2.561 179.644 176.870 0.355 0.000 1.071 378 L CA 2.018 57.004 54.840 0.242 0.000 0.749 378 L CB -0.982 41.190 42.059 0.188 0.000 0.890 378 L HN 0.436 nan 8.230 nan 0.000 0.431 379 E N -0.895 119.511 120.200 0.343 0.000 2.058 379 E HA -0.243 4.113 4.350 0.010 0.000 0.194 379 E C 1.767 178.395 176.600 0.047 0.000 0.997 379 E CA 1.388 57.902 56.400 0.190 0.000 0.801 379 E CB 0.058 29.818 29.700 0.100 0.000 0.746 379 E HN 0.503 nan 8.360 nan 0.000 0.450 380 D N -0.063 120.371 120.400 0.056 0.000 2.103 380 D HA -0.172 4.474 4.640 0.010 0.000 0.190 380 D C 2.063 178.352 176.300 -0.019 0.000 0.997 380 D CA 1.255 55.255 54.000 -0.001 0.000 0.833 380 D CB -0.482 40.329 40.800 0.018 0.000 0.961 380 D HN 0.093 nan 8.370 nan 0.000 0.447 381 V N 1.400 121.355 119.914 0.068 0.000 2.392 381 V HA -0.232 3.894 4.120 0.010 0.000 0.249 381 V C 2.495 178.651 176.094 0.102 0.000 1.059 381 V CA 1.764 64.143 62.300 0.130 0.000 1.051 381 V CB -0.839 31.149 31.823 0.275 0.000 0.658 381 V HN 0.198 nan 8.190 nan 0.000 0.455 382 A N -0.276 122.621 122.820 0.128 0.000 1.898 382 A HA -0.135 4.191 4.320 0.010 0.000 0.216 382 A C 2.413 179.953 177.584 -0.074 0.000 1.181 382 A CA 1.907 54.010 52.037 0.110 0.000 0.620 382 A CB -0.639 18.490 19.000 0.215 0.000 0.819 382 A HN 0.320 nan 8.150 nan 0.000 0.442 383 V N -0.687 119.138 119.914 -0.148 0.000 2.287 383 V HA -0.343 3.783 4.120 0.010 0.000 0.248 383 V C 2.669 178.601 176.094 -0.270 0.000 1.053 383 V CA 2.145 64.322 62.300 -0.205 0.000 1.027 383 V CB -1.047 30.661 31.823 -0.191 0.000 0.646 383 V HN 0.714 nan 8.190 nan 0.000 0.447 384 C N -0.411 118.660 119.300 -0.382 0.000 2.403 384 C HA -0.208 4.258 4.460 0.010 0.000 0.277 384 C C 2.634 177.197 174.990 -0.712 0.000 1.248 384 C CA 1.255 59.808 59.018 -0.776 0.000 1.762 384 C CB -1.057 25.871 27.740 -1.353 0.000 2.014 384 C HN 0.541 nan 8.230 nan 0.000 0.486 385 M N -0.314 119.107 119.600 -0.298 0.000 2.618 385 M HA 0.041 4.527 4.480 0.010 0.000 0.240 385 M C 0.492 176.767 176.300 -0.041 0.000 1.123 385 M CA 0.820 56.109 55.300 -0.017 0.000 1.060 385 M CB -0.416 32.278 32.600 0.157 0.000 1.535 385 M HN 0.267 nan 8.290 nan 0.000 0.507 386 D N 1.372 121.698 120.400 -0.122 0.000 2.746 386 D HA -0.145 4.501 4.640 0.010 0.000 0.236 386 D C -0.913 175.351 176.300 -0.060 0.000 1.129 386 D CA 0.407 54.347 54.000 -0.101 0.000 0.691 386 D CB -0.794 39.959 40.800 -0.079 0.000 1.077 386 D HN 0.307 nan 8.370 nan 0.000 0.432 387 L N -0.154 121.035 121.223 -0.057 0.000 2.399 387 L HA 0.374 4.720 4.340 0.010 0.000 0.265 387 L C 0.955 177.756 176.870 -0.114 0.000 1.089 387 L CA -0.782 54.045 54.840 -0.021 0.000 0.802 387 L CB 0.703 42.811 42.059 0.082 0.000 1.180 387 L HN -0.002 nan 8.230 nan 0.000 0.454 388 D N 0.582 120.940 120.400 -0.070 0.000 2.508 388 D HA -0.002 4.644 4.640 0.010 0.000 0.224 388 D C 1.039 177.163 176.300 -0.294 0.000 1.171 388 D CA -0.205 53.721 54.000 -0.123 0.000 1.006 388 D CB 0.379 41.167 40.800 -0.021 0.000 1.073 388 D HN 0.566 nan 8.370 nan 0.000 0.513 389 T N -0.031 114.132 114.554 -0.652 0.000 3.361 389 T HA 0.076 4.432 4.350 0.010 0.000 0.251 389 T C 1.371 175.732 174.700 -0.566 0.000 1.131 389 T CA 0.031 61.307 62.100 -1.373 0.000 1.001 389 T CB -0.088 67.797 68.868 -1.638 0.000 1.003 389 T HN 0.245 nan 8.240 nan 0.000 0.558 390 R N 0.132 120.490 120.500 -0.238 0.000 2.156 390 R HA 0.201 4.547 4.340 0.010 0.000 0.207 390 R C 1.087 177.413 176.300 0.045 0.000 1.040 390 R CA 0.472 56.527 56.100 -0.076 0.000 1.013 390 R CB 0.151 30.414 30.300 -0.062 0.000 0.931 390 R HN 0.344 nan 8.270 nan 0.000 0.465 391 T N -0.679 113.938 114.554 0.104 0.000 2.887 391 T HA 0.147 4.503 4.350 0.010 0.000 0.288 391 T C 1.184 176.051 174.700 0.279 0.000 1.021 391 T CA -0.588 61.605 62.100 0.156 0.000 1.000 391 T CB 1.853 70.780 68.868 0.097 0.000 1.034 391 T HN 0.233 nan 8.240 nan 0.000 0.467 392 T N 0.603 115.275 114.554 0.197 0.000 2.812 392 T HA -0.089 4.267 4.350 0.010 0.000 0.264 392 T C 2.103 176.862 174.700 0.098 0.000 1.042 392 T CA 1.503 63.687 62.100 0.141 0.000 1.140 392 T CB -0.833 68.069 68.868 0.056 0.000 0.870 392 T HN 0.686 nan 8.240 nan 0.000 0.445 393 S N 2.255 118.008 115.700 0.088 0.000 2.571 393 S HA -0.084 4.392 4.470 0.010 0.000 0.245 393 S C 2.057 176.707 174.600 0.084 0.000 0.976 393 S CA 0.875 59.114 58.200 0.065 0.000 0.954 393 S CB -1.010 62.220 63.200 0.050 0.000 0.756 393 S HN 0.781 nan 8.310 nan 0.000 0.535 394 S N 1.578 117.365 115.700 0.144 0.000 2.496 394 S HA 0.215 4.691 4.470 0.010 0.000 0.224 394 S C 0.961 175.648 174.600 0.145 0.000 0.996 394 S CA 0.218 58.514 58.200 0.160 0.000 0.927 394 S CB -0.918 62.418 63.200 0.227 0.000 0.774 394 S HN 0.643 nan 8.310 nan 0.000 0.524 395 L N 1.093 122.372 121.223 0.094 0.000 3.608 395 L HA -0.155 4.191 4.340 0.010 0.000 0.422 395 L C 1.471 178.367 176.870 0.043 0.000 1.260 395 L CA 0.631 55.469 54.840 -0.003 0.000 0.889 395 L CB -2.427 39.638 42.059 0.010 0.000 1.821 395 L HN 0.747 nan 8.230 nan 0.000 0.884 396 W N -0.293 121.020 121.300 0.021 0.000 2.425 396 W HA -0.094 4.572 4.660 0.010 0.000 0.277 396 W C 1.671 178.209 176.519 0.031 0.000 1.231 396 W CA 1.055 58.415 57.345 0.025 0.000 1.248 396 W CB -0.567 28.904 29.460 0.019 0.000 1.117 396 W HN 0.290 nan 8.180 nan 0.000 0.568 397 K N 1.131 121.166 120.400 -0.609 0.000 2.031 397 K HA -0.138 4.188 4.320 0.010 0.000 0.205 397 K C 1.561 178.044 176.600 -0.194 0.000 1.049 397 K CA 2.236 58.182 56.287 -0.568 0.000 0.939 397 K CB -0.309 31.704 32.500 -0.810 0.000 0.717 397 K HN -0.025 nan 8.250 nan 0.000 0.438 398 D N 0.848 121.153 120.400 -0.158 0.000 2.104 398 D HA -0.151 4.495 4.640 0.010 0.000 0.194 398 D C 1.665 177.967 176.300 0.004 0.000 0.994 398 D CA 1.326 55.286 54.000 -0.067 0.000 0.830 398 D CB -0.013 40.756 40.800 -0.052 0.000 0.959 398 D HN 0.120 nan 8.370 nan 0.000 0.452 399 K N 0.544 120.972 120.400 0.047 0.000 2.009 399 K HA -0.091 4.235 4.320 0.010 0.000 0.210 399 K C 2.252 178.926 176.600 0.122 0.000 1.049 399 K CA 1.312 57.655 56.287 0.094 0.000 0.929 399 K CB -0.255 32.321 32.500 0.126 0.000 0.714 399 K HN 0.108 nan 8.250 nan 0.000 0.440 400 A N 1.584 124.499 122.820 0.158 0.000 1.877 400 A HA -0.115 4.211 4.320 0.010 0.000 0.216 400 A C 2.420 180.094 177.584 0.151 0.000 1.186 400 A CA 1.856 54.011 52.037 0.197 0.000 0.620 400 A CB -0.804 18.351 19.000 0.257 0.000 0.822 400 A HN 0.348 nan 8.150 nan 0.000 0.443 401 A N -0.499 122.370 122.820 0.081 0.000 1.908 401 A HA -0.063 4.263 4.320 0.010 0.000 0.218 401 A C 2.243 179.851 177.584 0.040 0.000 1.181 401 A CA 1.943 54.004 52.037 0.038 0.000 0.627 401 A CB -1.035 17.949 19.000 -0.028 0.000 0.818 401 A HN 0.414 nan 8.150 nan 0.000 0.445 402 V N 0.397 120.341 119.914 0.050 0.000 2.287 402 V HA -0.248 3.878 4.120 0.010 0.000 0.248 402 V C 2.600 178.742 176.094 0.080 0.000 1.053 402 V CA 2.245 64.581 62.300 0.059 0.000 1.027 402 V CB -0.728 31.137 31.823 0.070 0.000 0.646 402 V HN 0.560 nan 8.190 nan 0.000 0.447 403 E N -0.159 120.116 120.200 0.124 0.000 2.077 403 E HA -0.162 4.194 4.350 0.010 0.000 0.193 403 E C 2.142 178.805 176.600 0.104 0.000 0.989 403 E CA 1.276 57.781 56.400 0.175 0.000 0.800 403 E CB -0.368 29.429 29.700 0.162 0.000 0.746 403 E HN 0.582 nan 8.360 nan 0.000 0.452 404 I N 1.876 122.534 120.570 0.147 0.000 2.163 404 I HA -0.289 3.887 4.170 0.010 0.000 0.243 404 I C 2.236 178.345 176.117 -0.014 0.000 1.085 404 I CA 0.988 62.373 61.300 0.141 0.000 1.347 404 I CB -0.321 37.814 38.000 0.226 0.000 1.044 404 I HN 0.082 nan 8.210 nan 0.000 0.408 405 N N 0.555 119.245 118.700 -0.017 0.000 2.084 405 N HA -0.192 4.554 4.740 0.010 0.000 0.190 405 N C 1.937 177.409 175.510 -0.063 0.000 1.030 405 N CA 1.288 54.305 53.050 -0.055 0.000 0.849 405 N CB -0.282 38.182 38.487 -0.039 0.000 1.012 405 N HN 0.184 nan 8.380 nan 0.000 0.423 406 L N 1.636 122.826 121.223 -0.056 0.000 2.079 406 L HA -0.114 4.232 4.340 0.010 0.000 0.210 406 L C 2.218 178.969 176.870 -0.198 0.000 1.081 406 L CA 1.523 56.295 54.840 -0.113 0.000 0.752 406 L CB -0.846 41.130 42.059 -0.139 0.000 0.896 406 L HN 0.082 nan 8.230 nan 0.000 0.433 407 A N -1.490 121.162 122.820 -0.280 0.000 1.930 407 A HA -0.108 4.218 4.320 0.010 0.000 0.217 407 A C 2.260 179.759 177.584 -0.143 0.000 1.175 407 A CA 1.734 53.549 52.037 -0.370 0.000 0.627 407 A CB -0.956 17.498 19.000 -0.909 0.000 0.815 407 A HN 0.290 nan 8.150 nan 0.000 0.443 408 V N 0.126 119.979 119.914 -0.103 0.000 2.343 408 V HA -0.252 3.874 4.120 0.010 0.000 0.247 408 V C 2.563 178.655 176.094 -0.003 0.000 1.051 408 V CA 1.883 64.165 62.300 -0.031 0.000 1.036 408 V CB -0.748 30.974 31.823 -0.167 0.000 0.654 408 V HN 0.561 nan 8.190 nan 0.000 0.451 409 L N -0.480 120.709 121.223 -0.056 0.000 1.976 409 L HA -0.244 4.102 4.340 0.010 0.000 0.209 409 L C 2.663 179.549 176.870 0.028 0.000 1.071 409 L CA 2.386 57.208 54.840 -0.029 0.000 0.746 409 L CB -0.834 41.209 42.059 -0.026 0.000 0.890 409 L HN 0.480 nan 8.230 nan 0.000 0.432 410 H N -0.418 118.602 119.070 -0.084 0.000 2.352 410 H HA -0.156 4.406 4.556 0.011 0.000 0.299 410 H C 2.319 177.625 175.328 -0.037 0.000 1.097 410 H CA 2.043 58.035 56.048 -0.094 0.000 1.311 410 H CB 0.006 29.648 29.762 -0.200 0.000 1.377 410 H HN 0.169 nan 8.280 nan 0.000 0.504 411 S N -0.471 115.137 115.700 -0.154 0.000 2.355 411 S HA -0.112 4.364 4.470 0.010 0.000 0.222 411 S C 1.998 176.540 174.600 -0.096 0.000 1.031 411 S CA 1.224 59.323 58.200 -0.169 0.000 0.993 411 S CB -0.552 62.650 63.200 0.003 0.000 0.859 411 S HN 0.383 nan 8.310 nan 0.000 0.453 412 F N 2.141 122.009 119.950 -0.136 0.000 2.095 412 F HA -0.192 4.341 4.527 0.009 0.000 0.298 412 F C 2.821 178.553 175.800 -0.113 0.000 1.104 412 F CA 1.409 59.357 58.000 -0.086 0.000 1.232 412 F CB -0.405 38.569 39.000 -0.043 0.000 0.987 412 F HN 0.223 nan 8.300 nan 0.000 0.475 413 Q N 0.118 119.953 119.800 0.059 0.000 2.030 413 Q HA -0.269 4.077 4.340 0.010 0.000 0.204 413 Q C 2.330 178.270 176.000 -0.100 0.000 0.986 413 Q CA 2.034 57.819 55.803 -0.030 0.000 0.843 413 Q CB -0.658 28.053 28.738 -0.046 0.000 0.904 413 Q HN 0.522 nan 8.270 nan 0.000 0.420 414 L N 0.306 121.404 121.223 -0.209 0.000 2.042 414 L HA -0.157 4.189 4.340 0.010 0.000 0.210 414 L C 2.058 178.840 176.870 -0.145 0.000 1.076 414 L CA 1.567 56.279 54.840 -0.214 0.000 0.749 414 L CB -0.290 41.552 42.059 -0.361 0.000 0.893 414 L HN 0.167 nan 8.230 nan 0.000 0.432 415 A N -0.769 121.959 122.820 -0.153 0.000 2.235 415 A HA -0.032 4.294 4.320 0.010 0.000 0.208 415 A C 1.069 178.590 177.584 -0.105 0.000 1.172 415 A CA 0.459 52.412 52.037 -0.139 0.000 0.786 415 A CB -0.363 18.516 19.000 -0.201 0.000 0.804 415 A HN 0.569 nan 8.150 nan 0.000 0.479 416 K N -1.228 119.123 120.400 -0.082 0.000 3.150 416 K HA -0.118 4.208 4.320 0.010 0.000 0.267 416 K C -0.875 175.701 176.600 -0.041 0.000 1.028 416 K CA 0.616 56.870 56.287 -0.056 0.000 0.753 416 K CB -2.058 30.408 32.500 -0.056 0.000 1.288 416 K HN 0.233 nan 8.250 nan 0.000 0.473 417 V N 1.142 121.052 119.914 -0.008 0.000 2.448 417 V HA 0.154 4.280 4.120 0.010 0.000 0.295 417 V C 0.724 176.919 176.094 0.168 0.000 1.025 417 V CA -0.762 61.572 62.300 0.056 0.000 0.859 417 V CB 1.951 33.755 31.823 -0.031 0.000 0.988 417 V HN 0.277 nan 8.190 nan 0.000 0.431 418 T N 6.469 121.061 114.554 0.063 0.000 2.849 418 T HA 0.287 4.643 4.350 0.010 0.000 0.289 418 T C -0.242 174.486 174.700 0.047 0.000 1.010 418 T CA 1.177 63.223 62.100 -0.089 0.000 1.161 418 T CB -0.153 68.527 68.868 -0.312 0.000 0.989 418 T HN 0.554 nan 8.240 nan 0.000 0.523 419 I N 2.686 123.220 120.570 -0.060 0.000 3.093 419 I HA 0.695 4.871 4.170 0.010 0.000 0.308 419 I C -1.615 174.498 176.117 -0.008 0.000 1.303 419 I CA -0.937 60.364 61.300 0.002 0.000 0.975 419 I CB 2.101 40.028 38.000 -0.123 0.000 1.286 419 I HN 0.427 nan 8.210 nan 0.000 0.459 420 V N 4.300 124.267 119.914 0.088 0.000 2.777 420 V HA 0.443 4.569 4.120 0.010 0.000 0.306 420 V C -1.445 174.692 176.094 0.073 0.000 1.112 420 V CA -0.341 62.020 62.300 0.102 0.000 0.917 420 V CB 2.170 34.138 31.823 0.241 0.000 1.018 420 V HN 0.885 nan 8.190 nan 0.000 0.426 421 D N 4.201 124.623 120.400 0.037 0.000 2.358 421 D HA 0.184 4.830 4.640 0.010 0.000 0.244 421 D C 1.296 177.590 176.300 -0.009 0.000 1.163 421 D CA 0.170 54.181 54.000 0.019 0.000 0.945 421 D CB 0.470 41.251 40.800 -0.033 0.000 1.152 421 D HN 0.753 nan 8.370 nan 0.000 0.451 422 H N -0.044 118.961 119.070 -0.107 0.000 2.518 422 H HA -0.132 4.430 4.556 0.010 0.000 0.289 422 H C 0.779 175.979 175.328 -0.213 0.000 1.051 422 H CA 1.196 57.133 56.048 -0.184 0.000 1.280 422 H CB -0.465 29.131 29.762 -0.276 0.000 1.380 422 H HN 0.526 nan 8.280 nan 0.000 0.566 423 H N 1.035 119.912 119.070 -0.322 0.000 2.306 423 H HA 0.202 4.764 4.556 0.010 0.000 0.307 423 H C 2.540 177.843 175.328 -0.040 0.000 1.061 423 H CA 1.204 57.152 56.048 -0.167 0.000 1.359 423 H CB -0.315 29.312 29.762 -0.224 0.000 1.407 423 H HN 0.469 nan 8.280 nan 0.000 0.517 424 A N 1.550 124.424 122.820 0.089 0.000 1.908 424 A HA -0.154 4.172 4.320 0.010 0.000 0.218 424 A C 2.660 180.310 177.584 0.108 0.000 1.181 424 A CA 2.034 54.123 52.037 0.086 0.000 0.627 424 A CB -0.895 18.146 19.000 0.068 0.000 0.818 424 A HN 0.444 nan 8.150 nan 0.000 0.445 425 A N -0.445 122.436 122.820 0.101 0.000 1.902 425 A HA -0.090 4.236 4.320 0.010 0.000 0.217 425 A C 2.406 180.075 177.584 0.142 0.000 1.181 425 A CA 2.489 54.602 52.037 0.127 0.000 0.623 425 A CB -1.277 17.784 19.000 0.102 0.000 0.818 425 A HN 0.763 nan 8.150 nan 0.000 0.443 426 T N -3.196 111.428 114.554 0.115 0.000 2.985 426 T HA 0.003 4.359 4.350 0.010 0.000 0.266 426 T C 1.660 176.490 174.700 0.217 0.000 1.076 426 T CA 1.102 63.299 62.100 0.162 0.000 1.135 426 T CB -0.434 68.495 68.868 0.102 0.000 0.890 426 T HN 0.029 nan 8.240 nan 0.000 0.480 427 V N 2.943 122.957 119.914 0.166 0.000 2.358 427 V HA -0.151 3.975 4.120 0.010 0.000 0.246 427 V C 3.144 179.329 176.094 0.153 0.000 1.047 427 V CA 2.106 64.495 62.300 0.148 0.000 1.035 427 V CB -0.782 31.110 31.823 0.114 0.000 0.658 427 V HN 0.786 nan 8.190 nan 0.000 0.452 428 S N -0.652 115.149 115.700 0.168 0.000 2.481 428 S HA -0.147 4.329 4.470 0.010 0.000 0.231 428 S C 1.822 176.551 174.600 0.216 0.000 0.996 428 S CA 1.144 59.444 58.200 0.167 0.000 0.942 428 S CB -0.584 62.716 63.200 0.167 0.000 0.768 428 S HN 0.547 nan 8.310 nan 0.000 0.520 429 F N 1.702 121.716 119.950 0.105 0.000 2.416 429 F HA 0.309 4.841 4.527 0.009 0.000 0.296 429 F C 2.005 177.893 175.800 0.147 0.000 1.099 429 F CA 0.524 58.601 58.000 0.128 0.000 1.427 429 F CB -0.207 38.845 39.000 0.087 0.000 1.079 429 F HN 0.091 nan 8.300 nan 0.000 0.536 430 M N 0.140 119.783 119.600 0.072 0.000 2.156 430 M HA -0.106 4.380 4.480 0.010 0.000 0.264 430 M C 2.208 178.470 176.300 -0.064 0.000 1.067 430 M CA 1.320 56.609 55.300 -0.018 0.000 1.131 430 M CB -1.183 31.465 32.600 0.080 0.000 1.368 430 M HN 0.046 nan 8.290 nan 0.000 0.416 431 K N -0.096 120.307 120.400 0.005 0.000 2.063 431 K HA -0.220 4.106 4.320 0.010 0.000 0.208 431 K C 1.997 178.584 176.600 -0.023 0.000 1.048 431 K CA 1.857 58.147 56.287 0.006 0.000 0.928 431 K CB -0.667 31.862 32.500 0.048 0.000 0.713 431 K HN 0.397 nan 8.250 nan 0.000 0.442 432 H N -0.050 118.945 119.070 -0.126 0.000 2.353 432 H HA -0.012 4.550 4.556 0.010 0.000 0.300 432 H C 1.756 176.944 175.328 -0.232 0.000 1.090 432 H CA 2.131 58.092 56.048 -0.145 0.000 1.327 432 H CB -0.178 29.498 29.762 -0.144 0.000 1.383 432 H HN 0.173 nan 8.280 nan 0.000 0.508 433 L N -0.245 120.710 121.223 -0.447 0.000 2.012 433 L HA -0.191 4.155 4.340 0.010 0.000 0.210 433 L C 2.249 178.964 176.870 -0.259 0.000 1.073 433 L CA 2.041 56.629 54.840 -0.418 0.000 0.748 433 L CB -0.476 41.369 42.059 -0.357 0.000 0.891 433 L HN 0.412 nan 8.230 nan 0.000 0.431 434 D N -0.507 119.787 120.400 -0.177 0.000 2.178 434 D HA -0.168 4.478 4.640 0.010 0.000 0.202 434 D C 1.875 178.107 176.300 -0.114 0.000 0.974 434 D CA 0.920 54.853 54.000 -0.112 0.000 0.841 434 D CB 0.197 40.957 40.800 -0.067 0.000 0.953 434 D HN 0.201 nan 8.370 nan 0.000 0.478 435 N N 0.458 119.076 118.700 -0.135 0.000 2.106 435 N HA -0.111 4.635 4.740 0.010 0.000 0.188 435 N C 1.552 176.983 175.510 -0.131 0.000 1.029 435 N CA 0.757 53.746 53.050 -0.100 0.000 0.848 435 N CB -0.258 38.194 38.487 -0.057 0.000 1.007 435 N HN 0.263 nan 8.380 nan 0.000 0.423 436 E N 0.660 120.706 120.200 -0.257 0.000 2.150 436 E HA -0.162 4.194 4.350 0.010 0.000 0.193 436 E C 1.830 178.339 176.600 -0.150 0.000 0.985 436 E CA 0.571 56.824 56.400 -0.246 0.000 0.814 436 E CB -0.053 29.387 29.700 -0.434 0.000 0.752 436 E HN 0.329 nan 8.360 nan 0.000 0.466 437 Q N 1.582 121.299 119.800 -0.137 0.000 2.020 437 Q HA -0.133 4.213 4.340 0.010 0.000 0.202 437 Q C 1.858 177.816 176.000 -0.072 0.000 0.982 437 Q CA 1.769 57.518 55.803 -0.089 0.000 0.838 437 Q CB -0.034 28.658 28.738 -0.077 0.000 0.899 437 Q HN 0.109 nan 8.270 nan 0.000 0.423 438 K N -0.678 119.682 120.400 -0.066 0.000 2.057 438 K HA -0.065 4.261 4.320 0.010 0.000 0.207 438 K C 1.984 178.558 176.600 -0.043 0.000 1.049 438 K CA 1.195 57.453 56.287 -0.049 0.000 0.931 438 K CB -0.213 32.263 32.500 -0.040 0.000 0.714 438 K HN 0.276 nan 8.250 nan 0.000 0.440 439 A N 0.978 123.772 122.820 -0.042 0.000 1.970 439 A HA -0.043 4.283 4.320 0.010 0.000 0.216 439 A C 1.755 179.319 177.584 -0.034 0.000 1.170 439 A CA 1.007 53.030 52.037 -0.024 0.000 0.645 439 A CB 0.050 19.054 19.000 0.006 0.000 0.816 439 A HN 0.172 nan 8.150 nan 0.000 0.447 440 R N -2.754 117.714 120.500 -0.053 0.000 2.556 440 R HA 0.264 4.610 4.340 0.010 0.000 0.276 440 R C 0.736 177.003 176.300 -0.056 0.000 0.931 440 R CA 0.536 56.606 56.100 -0.049 0.000 1.061 440 R CB 0.730 30.999 30.300 -0.052 0.000 1.432 440 R HN 0.695 nan 8.270 nan 0.000 0.547 441 G N 1.073 109.834 108.800 -0.065 0.000 2.203 441 G HA2 -0.077 3.889 3.960 0.010 0.000 0.231 441 G HA3 -0.077 3.889 3.960 0.010 0.000 0.231 441 G C 0.181 175.053 174.900 -0.046 0.000 1.058 441 G CA -0.019 45.034 45.100 -0.078 0.000 0.781 441 G HN 0.726 nan 8.290 nan 0.000 0.496 442 G N -2.334 106.450 108.800 -0.026 0.000 2.359 442 G HA2 0.507 4.473 3.960 0.010 0.000 0.314 442 G HA3 0.507 4.473 3.960 0.010 0.000 0.314 442 G C -0.674 174.245 174.900 0.032 0.000 1.364 442 G CA 0.322 45.441 45.100 0.031 0.000 0.978 442 G HN 1.965 nan 8.290 nan 0.000 0.615 443 C N 2.141 121.486 119.300 0.075 0.000 2.705 443 C HA 0.737 5.203 4.460 0.010 0.000 0.369 443 C C -2.445 172.533 174.990 -0.020 0.000 1.069 443 C CA -1.222 57.799 59.018 0.006 0.000 1.260 443 C CB 1.445 29.139 27.740 -0.076 0.000 1.764 443 C HN 0.715 nan 8.230 nan 0.000 0.469 444 P HA 0.378 nan 4.420 nan 0.000 0.271 444 P C -0.715 176.478 177.300 -0.178 0.000 1.233 444 P CA 0.581 63.292 63.100 -0.647 0.000 0.764 444 P CB 0.946 32.013 31.700 -1.054 0.000 0.825 445 A N 2.933 125.728 122.820 -0.041 0.000 2.455 445 A HA 0.409 4.735 4.320 0.010 0.000 0.300 445 A C -0.983 176.669 177.584 0.114 0.000 1.040 445 A CA -0.577 51.524 52.037 0.107 0.000 0.697 445 A CB 1.329 20.510 19.000 0.302 0.000 1.265 445 A HN 0.440 nan 8.150 nan 0.000 0.407 446 D N 2.021 122.480 120.400 0.098 0.000 2.443 446 D HA 0.127 4.773 4.640 0.010 0.000 0.221 446 D C 0.794 177.236 176.300 0.237 0.000 1.097 446 D CA -0.436 53.654 54.000 0.151 0.000 0.865 446 D CB 0.427 41.262 40.800 0.058 0.000 1.034 446 D HN 0.622 nan 8.370 nan 0.000 0.511 447 W N 4.263 125.613 121.300 0.084 0.000 2.302 447 W HA -0.327 4.339 4.660 0.010 0.000 0.320 447 W C 1.984 178.533 176.519 0.050 0.000 1.241 447 W CA 2.513 59.889 57.345 0.052 0.000 1.264 447 W CB -0.014 29.449 29.460 0.006 0.000 1.154 447 W HN 0.558 nan 8.180 nan 0.000 0.483 448 A N -1.372 121.731 122.820 0.472 0.000 1.972 448 A HA -0.200 4.125 4.320 0.010 0.000 0.219 448 A C 1.503 179.129 177.584 0.069 0.000 1.169 448 A CA 1.649 53.870 52.037 0.307 0.000 0.635 448 A CB -1.286 17.932 19.000 0.364 0.000 0.810 448 A HN 0.541 nan 8.150 nan 0.000 0.446 449 W N -0.968 120.305 121.300 -0.046 0.000 2.704 449 W HA 0.198 4.864 4.660 0.010 0.000 0.266 449 W C 1.834 178.240 176.519 -0.189 0.000 1.266 449 W CA -0.110 57.183 57.345 -0.086 0.000 1.377 449 W CB -0.013 29.425 29.460 -0.036 0.000 1.082 449 W HN 0.137 nan 8.180 nan 0.000 0.608 450 I N -0.232 120.295 120.570 -0.070 0.000 2.333 450 I HA -0.069 4.107 4.170 0.010 0.000 0.246 450 I C 0.744 176.648 176.117 -0.354 0.000 1.106 450 I CA 0.760 61.889 61.300 -0.284 0.000 1.411 450 I CB -1.421 36.368 38.000 -0.352 0.000 1.082 450 I HN -0.419 nan 8.210 nan 0.000 0.420 451 V N 3.526 123.136 119.914 -0.506 0.000 2.637 451 V HA 0.071 4.197 4.120 0.010 0.000 0.296 451 V C -1.926 173.983 176.094 -0.308 0.000 1.046 451 V CA -0.951 61.051 62.300 -0.498 0.000 1.066 451 V CB 0.266 31.568 31.823 -0.868 0.000 0.968 451 V HN 0.123 nan 8.190 nan 0.000 0.483 452 P HA 0.172 nan 4.420 nan 0.000 0.272 452 P C -1.884 175.283 177.300 -0.222 0.000 1.223 452 P CA -1.199 61.773 63.100 -0.215 0.000 0.784 452 P CB 0.106 31.686 31.700 -0.200 0.000 0.923 453 P HA 0.000 nan 4.420 nan 0.000 0.233 453 P C 0.190 177.371 177.300 -0.198 0.000 1.167 453 P CA 1.101 64.075 63.100 -0.210 0.000 0.770 453 P CB 0.025 31.595 31.700 -0.217 0.000 0.837 454 I N -6.892 113.520 120.570 -0.263 0.000 3.042 454 I HA 0.461 4.637 4.170 0.010 0.000 0.310 454 I C 0.057 176.056 176.117 -0.197 0.000 1.117 454 I CA -1.307 59.858 61.300 -0.226 0.000 1.003 454 I CB 1.826 39.665 38.000 -0.267 0.000 1.228 454 I HN -0.421 nan 8.210 nan 0.000 0.443 455 S N 1.859 117.505 115.700 -0.090 0.000 3.477 455 S HA -0.213 4.263 4.470 0.010 0.000 0.357 455 S C 1.392 175.972 174.600 -0.032 0.000 1.083 455 S CA 0.825 59.017 58.200 -0.013 0.000 1.042 455 S CB -1.798 61.474 63.200 0.119 0.000 0.911 455 S HN 1.265 nan 8.310 nan 0.000 0.490 456 G N 2.388 111.152 108.800 -0.059 0.000 2.719 456 G HA2 -0.366 3.600 3.960 0.010 0.000 0.219 456 G HA3 -0.366 3.600 3.960 0.010 0.000 0.219 456 G C 1.407 176.218 174.900 -0.148 0.000 1.234 456 G CA 1.616 46.707 45.100 -0.015 0.000 0.788 456 G HN 1.315 nan 8.290 nan 0.000 0.619 457 S N 0.331 115.644 115.700 -0.645 0.000 2.603 457 S HA 0.208 4.684 4.470 0.010 0.000 0.229 457 S C 1.998 176.492 174.600 -0.178 0.000 0.972 457 S CA 0.587 58.193 58.200 -0.990 0.000 0.935 457 S CB -0.116 62.353 63.200 -1.219 0.000 0.769 457 S HN 0.342 nan 8.310 nan 0.000 0.536 458 L N 1.792 122.989 121.223 -0.043 0.000 2.509 458 L HA 0.138 4.484 4.340 0.010 0.000 0.222 458 L C 1.301 178.290 176.870 0.198 0.000 1.123 458 L CA 0.464 55.371 54.840 0.112 0.000 0.856 458 L CB -0.756 41.401 42.059 0.163 0.000 0.985 458 L HN 0.462 nan 8.230 nan 0.000 0.456 459 T N -3.885 110.761 114.554 0.153 0.000 2.929 459 T HA 0.289 4.645 4.350 0.010 0.000 0.284 459 T C -1.621 173.219 174.700 0.234 0.000 1.014 459 T CA -1.967 60.239 62.100 0.176 0.000 1.051 459 T CB 1.836 70.753 68.868 0.082 0.000 1.028 459 T HN -0.177 nan 8.240 nan 0.000 0.485 460 P HA -0.063 nan 4.420 nan 0.000 0.221 460 P C 1.807 179.297 177.300 0.317 0.000 1.150 460 P CA 0.934 64.231 63.100 0.328 0.000 0.800 460 P CB -0.342 31.501 31.700 0.237 0.000 0.787 461 V N -3.451 116.600 119.914 0.228 0.000 2.594 461 V HA -0.218 3.908 4.120 0.010 0.000 0.253 461 V C 2.398 178.581 176.094 0.147 0.000 1.069 461 V CA 1.287 63.703 62.300 0.193 0.000 1.082 461 V CB -2.312 29.574 31.823 0.106 0.000 0.680 461 V HN -0.102 nan 8.190 nan 0.000 0.469 462 F N 1.810 121.704 119.950 -0.093 0.000 2.126 462 F HA -0.204 4.329 4.527 0.010 0.000 0.299 462 F C 2.522 178.413 175.800 0.152 0.000 1.096 462 F CA 2.323 60.272 58.000 -0.085 0.000 1.255 462 F CB -0.260 38.557 39.000 -0.305 0.000 0.997 462 F HN 0.267 nan 8.300 nan 0.000 0.479 463 H N -0.825 118.624 119.070 0.633 0.000 2.543 463 H HA 0.075 4.637 4.556 0.010 0.000 0.269 463 H C 0.251 175.850 175.328 0.450 0.000 1.005 463 H CA 0.310 56.676 56.048 0.531 0.000 1.146 463 H CB -0.359 29.664 29.762 0.434 0.000 1.353 463 H HN 0.263 nan 8.280 nan 0.000 0.595 464 Q N 2.038 122.123 119.800 0.475 0.000 2.372 464 Q HA 0.155 4.501 4.340 0.010 0.000 0.259 464 Q C -0.498 175.742 176.000 0.400 0.000 0.993 464 Q CA -0.422 55.610 55.803 0.381 0.000 0.854 464 Q CB 0.670 29.591 28.738 0.306 0.000 1.231 464 Q HN 0.256 nan 8.270 nan 0.000 0.462 465 E N 3.274 123.660 120.200 0.310 0.000 2.404 465 E HA 0.232 4.588 4.350 0.010 0.000 0.261 465 E C -0.445 176.294 176.600 0.232 0.000 1.074 465 E CA 0.355 56.892 56.400 0.230 0.000 0.917 465 E CB 0.760 30.576 29.700 0.193 0.000 0.965 465 E HN 0.594 nan 8.360 nan 0.000 0.433 466 M N 1.187 120.918 119.600 0.219 0.000 2.484 466 M HA 0.310 4.796 4.480 0.010 0.000 0.289 466 M C -1.278 175.134 176.300 0.187 0.000 1.206 466 M CA -0.890 54.547 55.300 0.229 0.000 0.892 466 M CB 2.468 35.259 32.600 0.319 0.000 1.712 466 M HN 0.142 nan 8.290 nan 0.000 0.462 467 V N 1.912 121.949 119.914 0.205 0.000 2.398 467 V HA 0.400 4.526 4.120 0.010 0.000 0.286 467 V C -0.473 175.776 176.094 0.258 0.000 1.026 467 V CA -0.649 61.804 62.300 0.254 0.000 0.868 467 V CB 1.439 33.455 31.823 0.321 0.000 0.982 467 V HN 0.865 nan 8.190 nan 0.000 0.443 468 N N 3.766 122.599 118.700 0.222 0.000 2.372 468 N HA 0.701 5.447 4.740 0.010 0.000 0.291 468 N C -1.588 174.034 175.510 0.187 0.000 1.024 468 N CA -0.412 52.685 53.050 0.078 0.000 0.873 468 N CB 1.835 40.362 38.487 0.068 0.000 1.206 468 N HN 0.732 nan 8.380 nan 0.000 0.486 469 Y N 0.579 120.902 120.300 0.038 0.000 2.713 469 Y HA 0.476 5.032 4.550 0.010 0.000 0.335 469 Y C -1.492 174.416 175.900 0.013 0.000 1.222 469 Y CA -1.183 56.934 58.100 0.027 0.000 1.061 469 Y CB 0.721 39.201 38.460 0.034 0.000 1.314 469 Y HN 0.175 nan 8.280 nan 0.000 0.453 470 I N 3.662 124.326 120.570 0.157 0.000 2.312 470 I HA 0.411 4.587 4.170 0.010 0.000 0.290 470 I C -0.666 175.516 176.117 0.109 0.000 1.008 470 I CA -0.479 60.858 61.300 0.062 0.000 1.226 470 I CB 0.922 38.946 38.000 0.040 0.000 1.371 470 I HN 0.416 nan 8.210 nan 0.000 0.468 471 L N 4.716 125.969 121.223 0.050 0.000 2.322 471 L HA 0.604 4.950 4.340 0.010 0.000 0.269 471 L C 0.050 176.919 176.870 -0.002 0.000 1.012 471 L CA -0.554 54.323 54.840 0.062 0.000 0.815 471 L CB 2.016 44.109 42.059 0.056 0.000 1.295 471 L HN 0.518 nan 8.230 nan 0.000 0.438 472 S N 0.693 116.402 115.700 0.014 0.000 2.542 472 S HA 0.622 5.098 4.470 0.010 0.000 0.293 472 S C -2.563 172.050 174.600 0.022 0.000 1.089 472 S CA -1.384 56.808 58.200 -0.014 0.000 0.961 472 S CB 2.025 65.232 63.200 0.012 0.000 1.062 472 S HN 0.240 nan 8.310 nan 0.000 0.483 473 P HA 0.336 nan 4.420 nan 0.000 0.270 473 P C -1.202 175.954 177.300 -0.240 0.000 1.216 473 P CA 0.192 63.186 63.100 -0.177 0.000 0.788 473 P CB 0.359 31.897 31.700 -0.270 0.000 0.883 474 A N 0.381 123.001 122.820 -0.333 0.000 2.586 474 A HA 0.647 4.973 4.320 0.010 0.000 0.291 474 A C -1.751 175.566 177.584 -0.444 0.000 1.062 474 A CA -0.534 51.299 52.037 -0.340 0.000 0.666 474 A CB 0.543 19.445 19.000 -0.163 0.000 1.281 474 A HN 0.314 nan 8.150 nan 0.000 0.421 475 F N 0.741 120.588 119.950 -0.171 0.000 2.421 475 F HA 0.727 5.259 4.527 0.009 0.000 0.337 475 F C 0.951 176.626 175.800 -0.208 0.000 1.105 475 F CA -0.121 57.770 58.000 -0.182 0.000 1.049 475 F CB 1.940 40.786 39.000 -0.256 0.000 1.139 475 F HN 0.516 nan 8.300 nan 0.000 0.479 476 R N 1.829 122.333 120.500 0.007 0.000 2.725 476 R HA 0.389 4.735 4.340 0.010 0.000 0.277 476 R C -1.567 174.672 176.300 -0.103 0.000 0.987 476 R CA -1.217 54.829 56.100 -0.089 0.000 0.901 476 R CB 2.074 32.363 30.300 -0.018 0.000 1.207 476 R HN 0.471 nan 8.270 nan 0.000 0.463 477 Y N 1.606 121.923 120.300 0.028 0.000 2.357 477 Y HA 0.089 4.645 4.550 0.010 0.000 0.340 477 Y C 0.702 176.598 175.900 -0.007 0.000 1.260 477 Y CA 0.294 58.400 58.100 0.011 0.000 1.425 477 Y CB 0.800 39.254 38.460 -0.009 0.000 1.326 477 Y HN 0.425 nan 8.280 nan 0.000 0.580 478 Q N 1.111 121.000 119.800 0.147 0.000 2.377 478 Q HA 0.590 4.936 4.340 0.010 0.000 0.279 478 Q C -3.092 172.879 176.000 -0.048 0.000 1.049 478 Q CA -2.495 53.329 55.803 0.035 0.000 0.825 478 Q CB 1.682 30.430 28.738 0.018 0.000 1.401 478 Q HN 0.299 nan 8.270 nan 0.000 0.404 479 P HA 0.023 nan 4.420 nan 0.000 0.264 479 P C -0.877 176.210 177.300 -0.356 0.000 1.183 479 P CA 0.154 63.127 63.100 -0.212 0.000 0.763 479 P CB 0.381 31.970 31.700 -0.184 0.000 0.807 480 D N 4.541 124.589 120.400 -0.588 0.000 2.443 480 D HA -0.027 4.619 4.640 0.010 0.000 0.239 480 D C -0.919 174.769 176.300 -1.020 0.000 1.136 480 D CA -0.817 52.563 54.000 -1.034 0.000 0.879 480 D CB 0.391 40.028 40.800 -1.938 0.000 1.195 480 D HN 0.303 nan 8.370 nan 0.000 0.443 481 P HA -0.151 nan 4.420 nan 0.000 0.216 481 P C 0.622 177.621 177.300 -0.503 0.000 1.150 481 P CA 1.224 63.966 63.100 -0.597 0.000 0.843 481 P CB 0.041 31.383 31.700 -0.597 0.000 0.787 482 W N 0.000 120.895 121.300 -0.674 0.000 2.388 482 W HA 0.000 4.666 4.660 0.009 0.000 0.303 482 W CA 0.000 57.121 57.345 -0.374 0.000 1.226 482 W CB 0.000 29.212 29.460 -0.413 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535