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 2g6o_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRKLQTRPS DATA SEQUENCE PGPPPAEQLL 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 0.000 174.866 174.900 -0.057 0.000 0.946 67 G CA 0.000 45.091 45.100 -0.015 0.000 0.502 68 P HA 0.261 nan 4.420 nan 0.000 0.264 68 P C -0.283 177.039 177.300 0.036 0.000 1.183 68 P CA 0.150 63.171 63.100 -0.131 0.000 0.763 68 P CB 0.733 32.114 31.700 -0.531 0.000 0.807 69 K N 3.090 123.463 120.400 -0.045 0.000 3.216 69 K HA 0.190 4.516 4.320 0.010 0.000 0.277 69 K C -0.920 175.340 176.600 -0.567 0.000 1.246 69 K CA -0.060 56.074 56.287 -0.255 0.000 1.227 69 K CB -0.637 31.659 32.500 -0.341 0.000 1.487 69 K HN 0.329 nan 8.250 nan 0.000 0.341 70 F N -0.453 119.539 119.950 0.069 0.000 2.626 70 F HA 0.362 4.895 4.527 0.010 0.000 0.311 70 F C -2.156 173.738 175.800 0.156 0.000 1.088 70 F CA -2.805 55.249 58.000 0.089 0.000 0.949 70 F CB 1.146 40.200 39.000 0.090 0.000 1.322 70 F HN 0.061 nan 8.300 nan 0.000 0.461 71 P HA 0.068 nan 4.420 nan 0.000 0.264 71 P C -0.862 176.496 177.300 0.097 0.000 1.193 71 P CA -0.035 63.155 63.100 0.150 0.000 0.763 71 P CB 0.463 32.230 31.700 0.111 0.000 0.810 72 R N 3.089 123.571 120.500 -0.029 0.000 2.221 72 R HA 0.391 4.737 4.340 0.010 0.000 0.327 72 R C -1.157 175.011 176.300 -0.220 0.000 1.033 72 R CA -0.525 55.368 56.100 -0.344 0.000 0.887 72 R CB 0.439 30.573 30.300 -0.276 0.000 1.057 72 R HN 0.226 nan 8.270 nan 0.000 0.455 73 V N 5.188 124.948 119.914 -0.257 0.000 2.417 73 V HA 0.348 4.473 4.120 0.010 0.000 0.291 73 V C -0.167 175.830 176.094 -0.162 0.000 1.024 73 V CA -0.701 61.525 62.300 -0.124 0.000 0.861 73 V CB 1.460 33.255 31.823 -0.047 0.000 0.985 73 V HN 0.696 nan 8.190 nan 0.000 0.436 74 K N 3.819 124.136 120.400 -0.139 0.000 2.203 74 K HA 0.424 4.750 4.320 0.010 0.000 0.251 74 K C -0.629 175.865 176.600 -0.178 0.000 0.944 74 K CA -0.715 55.414 56.287 -0.263 0.000 0.829 74 K CB 1.452 33.630 32.500 -0.536 0.000 1.125 74 K HN 0.711 nan 8.250 nan 0.000 0.430 75 N N 4.091 122.685 118.700 -0.177 0.000 2.469 75 N HA 0.096 4.842 4.740 0.010 0.000 0.253 75 N C -0.223 175.258 175.510 -0.048 0.000 0.970 75 N CA -0.367 52.689 53.050 0.010 0.000 0.940 75 N CB 0.464 38.982 38.487 0.052 0.000 1.128 75 N HN 0.671 nan 8.380 nan 0.000 0.503 76 W N 2.130 123.509 121.300 0.131 0.000 2.595 76 W HA 0.052 4.718 4.660 0.009 0.000 0.257 76 W C 2.090 178.655 176.519 0.076 0.000 1.267 76 W CA 0.085 57.498 57.345 0.112 0.000 1.300 76 W CB 0.231 29.782 29.460 0.153 0.000 1.120 76 W HN 0.658 nan 8.180 nan 0.000 0.618 77 E N 0.560 120.911 120.200 0.252 0.000 2.051 77 E HA -0.141 4.215 4.350 0.010 0.000 0.189 77 E C 1.780 178.416 176.600 0.060 0.000 0.979 77 E CA 1.112 57.561 56.400 0.082 0.000 0.803 77 E CB -0.268 29.460 29.700 0.047 0.000 0.761 77 E HN 0.262 nan 8.360 nan 0.000 0.451 78 L N -0.920 120.338 121.223 0.057 0.000 2.477 78 L HA 0.285 4.631 4.340 0.010 0.000 0.220 78 L C 1.632 178.494 176.870 -0.015 0.000 1.106 78 L CA 0.433 55.286 54.840 0.021 0.000 0.851 78 L CB 0.390 42.462 42.059 0.023 0.000 0.994 78 L HN 0.456 nan 8.230 nan 0.000 0.462 79 G N 0.425 109.194 108.800 -0.051 0.000 2.184 79 G HA2 -0.318 3.647 3.960 0.010 0.000 0.264 79 G HA3 -0.318 3.647 3.960 0.010 0.000 0.264 79 G C 0.436 175.248 174.900 -0.147 0.000 0.975 79 G CA 0.462 45.487 45.100 -0.125 0.000 0.642 79 G HN 0.467 nan 8.290 nan 0.000 0.536 80 S N 0.154 115.790 115.700 -0.107 0.000 2.592 80 S HA 0.760 5.235 4.470 0.010 0.000 0.271 80 S C 0.174 174.690 174.600 -0.140 0.000 1.326 80 S CA -0.536 57.607 58.200 -0.095 0.000 1.024 80 S CB 1.937 65.107 63.200 -0.051 0.000 0.921 80 S HN 0.475 nan 8.310 nan 0.000 0.527 81 I N 1.888 122.384 120.570 -0.123 0.000 2.608 81 I HA 0.570 4.746 4.170 0.010 0.000 0.295 81 I C 0.208 176.240 176.117 -0.141 0.000 1.049 81 I CA -0.261 60.934 61.300 -0.176 0.000 1.063 81 I CB 1.803 39.686 38.000 -0.195 0.000 1.248 81 I HN 1.060 nan 8.210 nan 0.000 0.424 82 T N 1.622 116.047 114.554 -0.216 0.000 2.864 82 T HA 0.704 5.060 4.350 0.010 0.000 0.299 82 T C -1.355 173.175 174.700 -0.283 0.000 1.166 82 T CA -0.700 61.327 62.100 -0.121 0.000 1.007 82 T CB 1.975 70.813 68.868 -0.050 0.000 1.219 82 T HN 0.259 nan 8.240 nan 0.000 0.506 83 Y N 0.168 120.457 120.300 -0.019 0.000 2.409 83 Y HA 0.525 5.081 4.550 0.009 0.000 0.343 83 Y C -0.096 175.783 175.900 -0.036 0.000 0.973 83 Y CA -1.004 57.097 58.100 0.001 0.000 1.064 83 Y CB 1.802 40.268 38.460 0.009 0.000 1.207 83 Y HN 0.727 nan 8.280 nan 0.000 0.452 84 D N 1.784 122.264 120.400 0.132 0.000 2.396 84 D HA 0.110 4.756 4.640 0.010 0.000 0.225 84 D C 0.608 176.902 176.300 -0.010 0.000 1.121 84 D CA 0.028 54.063 54.000 0.058 0.000 0.853 84 D CB 1.308 42.170 40.800 0.104 0.000 1.043 84 D HN 0.802 nan 8.370 nan 0.000 0.500 85 T N 1.101 115.518 114.554 -0.229 0.000 3.014 85 T HA -0.050 4.305 4.350 0.010 0.000 0.250 85 T C 1.863 176.444 174.700 -0.199 0.000 1.060 85 T CA -0.202 61.589 62.100 -0.515 0.000 1.040 85 T CB 0.099 68.444 68.868 -0.871 0.000 0.971 85 T HN 0.257 nan 8.240 nan 0.000 0.497 86 L N 2.494 123.637 121.223 -0.132 0.000 2.131 86 L HA 0.032 4.378 4.340 0.010 0.000 0.210 86 L C 2.636 179.383 176.870 -0.205 0.000 1.092 86 L CA 1.301 56.093 54.840 -0.080 0.000 0.759 86 L CB -0.943 41.138 42.059 0.037 0.000 0.903 86 L HN 0.662 nan 8.230 nan 0.000 0.435 87 C N -1.519 117.481 119.300 -0.499 0.000 2.409 87 C HA 0.029 4.495 4.460 0.010 0.000 0.284 87 C C 2.794 177.571 174.990 -0.354 0.000 1.354 87 C CA 0.163 58.593 59.018 -0.980 0.000 1.787 87 C CB -2.249 24.887 27.740 -1.008 0.000 1.900 87 C HN 0.583 nan 8.230 nan 0.000 0.520 88 A N 0.417 123.173 122.820 -0.107 0.000 2.070 88 A HA -0.147 4.179 4.320 0.010 0.000 0.220 88 A C 2.260 179.839 177.584 -0.008 0.000 1.159 88 A CA 1.514 53.561 52.037 0.015 0.000 0.656 88 A CB -0.613 18.497 19.000 0.183 0.000 0.800 88 A HN 0.818 nan 8.150 nan 0.000 0.453 89 Q N -0.235 119.549 119.800 -0.028 0.000 2.451 89 Q HA 0.078 4.424 4.340 0.010 0.000 0.206 89 Q C 0.587 176.602 176.000 0.024 0.000 0.947 89 Q CA 0.102 55.911 55.803 0.009 0.000 0.937 89 Q CB 0.094 28.847 28.738 0.024 0.000 1.025 89 Q HN 0.502 nan 8.270 nan 0.000 0.511 90 S N 0.705 116.407 115.700 0.003 0.000 2.516 90 S HA 0.004 4.480 4.470 0.010 0.000 0.282 90 S C 0.557 175.181 174.600 0.039 0.000 1.286 90 S CA 0.042 58.273 58.200 0.052 0.000 1.066 90 S CB 0.537 63.775 63.200 0.064 0.000 0.884 90 S HN 0.263 nan 8.310 nan 0.000 0.491 91 Q N 2.792 122.622 119.800 0.049 0.000 2.179 91 Q HA 0.212 4.558 4.340 0.010 0.000 0.213 91 Q C -0.596 175.426 176.000 0.036 0.000 0.833 91 Q CA 0.049 55.875 55.803 0.039 0.000 0.990 91 Q CB 0.712 29.476 28.738 0.042 0.000 1.132 91 Q HN 0.702 nan 8.270 nan 0.000 0.493 92 Q N 0.791 120.616 119.800 0.042 0.000 2.304 92 Q HA 0.253 4.599 4.340 0.010 0.000 0.270 92 Q C -1.371 174.653 176.000 0.040 0.000 1.035 92 Q CA -0.671 55.153 55.803 0.035 0.000 0.781 92 Q CB 1.954 30.709 28.738 0.028 0.000 1.261 92 Q HN 0.016 nan 8.270 nan 0.000 0.444 93 D N 1.569 121.988 120.400 0.032 0.000 2.372 93 D HA 0.245 4.891 4.640 0.010 0.000 0.243 93 D C 0.358 176.679 176.300 0.035 0.000 1.121 93 D CA 0.231 54.251 54.000 0.034 0.000 0.898 93 D CB 1.288 42.103 40.800 0.025 0.000 1.202 93 D HN 0.640 nan 8.370 nan 0.000 0.428 94 G N 0.776 109.602 108.800 0.043 0.000 2.543 94 G HA2 0.317 4.283 3.960 0.010 0.000 0.267 94 G HA3 0.317 4.283 3.960 0.010 0.000 0.267 94 G C -1.709 173.212 174.900 0.035 0.000 1.406 94 G CA -0.639 44.485 45.100 0.040 0.000 1.048 94 G HN 0.314 nan 8.290 nan 0.000 0.548 95 P HA 0.174 nan 4.420 nan 0.000 0.257 95 P C 0.289 177.609 177.300 0.033 0.000 1.241 95 P CA -0.083 63.038 63.100 0.034 0.000 0.816 95 P CB 0.195 31.918 31.700 0.039 0.000 1.150 96 C N 0.923 120.245 119.300 0.036 0.000 2.520 96 C HA 0.585 5.051 4.460 0.010 0.000 0.376 96 C C 1.111 176.117 174.990 0.026 0.000 1.268 96 C CA 0.284 59.322 59.018 0.032 0.000 2.414 96 C CB 0.723 28.485 27.740 0.038 0.000 2.521 96 C HN 0.361 nan 8.230 nan 0.000 0.618 97 T N -1.499 113.067 114.554 0.021 0.000 2.843 97 T HA 0.411 4.766 4.350 0.010 0.000 0.302 97 T C -2.503 172.205 174.700 0.013 0.000 1.232 97 T CA -1.083 61.027 62.100 0.016 0.000 1.009 97 T CB 1.323 70.198 68.868 0.013 0.000 1.254 97 T HN 0.259 nan 8.240 nan 0.000 0.504 98 P HA 0.026 nan 4.420 nan 0.000 0.219 98 P C 1.500 178.804 177.300 0.006 0.000 1.146 98 P CA 0.616 63.720 63.100 0.007 0.000 0.808 98 P CB 0.132 31.834 31.700 0.003 0.000 0.779 99 R N -0.145 120.359 120.500 0.007 0.000 2.073 99 R HA -0.051 4.294 4.340 0.010 0.000 0.229 99 R C 0.649 176.953 176.300 0.007 0.000 1.120 99 R CA 0.975 57.079 56.100 0.006 0.000 0.967 99 R CB 0.169 30.473 30.300 0.006 0.000 0.862 99 R HN 0.073 nan 8.270 nan 0.000 0.436 100 R N -0.352 120.154 120.500 0.010 0.000 2.629 100 R HA 0.171 4.517 4.340 0.010 0.000 0.266 100 R C -1.802 174.507 176.300 0.015 0.000 1.051 100 R CA -0.733 55.374 56.100 0.011 0.000 0.895 100 R CB 0.229 30.536 30.300 0.011 0.000 1.246 100 R HN 0.093 nan 8.270 nan 0.000 0.459 101 C N 3.491 122.800 119.300 0.015 0.000 2.330 101 C HA 0.583 5.048 4.460 0.010 0.000 0.344 101 C C 0.777 175.784 174.990 0.029 0.000 1.273 101 C CA -0.646 58.385 59.018 0.021 0.000 1.879 101 C CB -0.739 27.009 27.740 0.014 0.000 2.376 101 C HN 0.764 nan 8.230 nan 0.000 0.534 102 L N 5.665 126.911 121.223 0.038 0.000 3.202 102 L HA 0.284 4.630 4.340 0.010 0.000 0.278 102 L C 2.046 178.954 176.870 0.064 0.000 1.268 102 L CA 0.240 55.109 54.840 0.047 0.000 1.034 102 L CB -0.075 42.010 42.059 0.043 0.000 1.407 102 L HN 1.020 nan 8.230 nan 0.000 0.581 103 G N 0.487 109.327 108.800 0.067 0.000 2.462 103 G HA2 -0.291 3.675 3.960 0.010 0.000 0.220 103 G HA3 -0.291 3.675 3.960 0.010 0.000 0.220 103 G C 1.674 176.653 174.900 0.132 0.000 1.121 103 G CA 1.232 46.386 45.100 0.090 0.000 0.758 103 G HN 0.511 nan 8.290 nan 0.000 0.559 104 S N -0.423 115.352 115.700 0.124 0.000 2.489 104 S HA 0.202 4.678 4.470 0.010 0.000 0.228 104 S C 0.907 175.612 174.600 0.175 0.000 0.995 104 S CA -0.277 58.017 58.200 0.157 0.000 0.934 104 S CB -0.154 63.111 63.200 0.109 0.000 0.771 104 S HN 0.003 nan 8.310 nan 0.000 0.522 105 L N 2.433 123.740 121.223 0.140 0.000 2.513 105 L HA 0.153 4.499 4.340 0.010 0.000 0.272 105 L C 1.401 178.392 176.870 0.202 0.000 1.187 105 L CA 0.291 55.214 54.840 0.138 0.000 0.895 105 L CB 0.558 42.675 42.059 0.096 0.000 1.147 105 L HN 0.013 nan 8.230 nan 0.000 0.483 106 V N 4.272 124.324 119.914 0.230 0.000 2.323 106 V HA -0.114 4.011 4.120 0.010 0.000 0.244 106 V C 0.989 177.233 176.094 0.250 0.000 1.041 106 V CA 1.218 63.720 62.300 0.337 0.000 1.025 106 V CB -0.230 31.784 31.823 0.319 0.000 0.656 106 V HN 0.512 nan 8.190 nan 0.000 0.451 107 L N 3.069 124.377 121.223 0.142 0.000 2.435 107 L HA 0.373 4.719 4.340 0.010 0.000 0.253 107 L C -2.414 174.511 176.870 0.092 0.000 1.087 107 L CA -1.175 53.728 54.840 0.104 0.000 0.950 107 L CB 1.003 43.050 42.059 -0.020 0.000 1.304 107 L HN 0.230 nan 8.230 nan 0.000 0.453 108 P HA 0.214 nan 4.420 nan 0.000 0.293 108 P C -0.377 176.960 177.300 0.062 0.000 1.300 108 P CA -0.701 62.442 63.100 0.071 0.000 0.792 108 P CB 1.102 32.841 31.700 0.066 0.000 0.925 109 R N 3.747 124.273 120.500 0.043 0.000 3.072 109 R HA 0.025 4.371 4.340 0.010 0.000 0.220 109 R C 0.758 177.076 176.300 0.031 0.000 1.627 109 R CA 0.408 56.528 56.100 0.034 0.000 1.079 109 R CB -0.390 29.922 30.300 0.020 0.000 1.217 109 R HN 0.483 nan 8.270 nan 0.000 0.615 110 K N 0.222 120.644 120.400 0.037 0.000 2.678 110 K HA 0.139 4.465 4.320 0.010 0.000 0.240 110 K C 1.654 178.267 176.600 0.022 0.000 1.508 110 K CA -0.084 56.219 56.287 0.026 0.000 0.824 110 K CB -0.562 31.954 32.500 0.026 0.000 1.893 110 K HN 0.046 nan 8.250 nan 0.000 0.366 111 L N 2.557 123.791 121.223 0.018 0.000 2.450 111 L HA -0.003 4.343 4.340 0.010 0.000 0.224 111 L C 0.889 177.772 176.870 0.022 0.000 1.149 111 L CA 0.732 55.575 54.840 0.005 0.000 0.816 111 L CB -1.164 40.878 42.059 -0.028 0.000 0.932 111 L HN 0.258 nan 8.230 nan 0.000 0.449 112 Q N 1.600 121.427 119.800 0.045 0.000 2.841 112 Q HA -0.122 4.224 4.340 0.010 0.000 0.330 112 Q C 0.421 176.434 176.000 0.021 0.000 1.136 112 Q CA 0.474 56.306 55.803 0.048 0.000 1.129 112 Q CB -0.227 28.533 28.738 0.036 0.000 0.992 112 Q HN 0.432 nan 8.270 nan 0.000 0.411 113 T N 2.189 116.755 114.554 0.021 0.000 4.313 113 T HA 0.306 4.662 4.350 0.010 0.000 0.272 113 T C 0.232 174.925 174.700 -0.013 0.000 1.298 113 T CA -0.836 61.265 62.100 0.002 0.000 1.124 113 T CB -0.059 68.812 68.868 0.005 0.000 1.352 113 T HN 0.364 nan 8.240 nan 0.000 1.013 114 R N 3.512 124.002 120.500 -0.018 0.000 2.638 114 R HA 0.159 4.505 4.340 0.010 0.000 0.268 114 R C -1.997 174.282 176.300 -0.035 0.000 1.006 114 R CA -1.702 54.379 56.100 -0.032 0.000 1.088 114 R CB -0.051 30.232 30.300 -0.027 0.000 0.950 114 R HN 0.375 nan 8.270 nan 0.000 0.419 115 P HA 0.001 nan 4.420 nan 0.000 0.258 115 P C -1.135 176.146 177.300 -0.032 0.000 1.214 115 P CA 0.107 63.181 63.100 -0.043 0.000 0.872 115 P CB 0.268 31.935 31.700 -0.055 0.000 0.890 116 S N 3.695 119.379 115.700 -0.027 0.000 2.695 116 S HA 0.352 4.828 4.470 0.010 0.000 0.275 116 S C -1.581 173.008 174.600 -0.019 0.000 1.203 116 S CA -1.129 57.059 58.200 -0.021 0.000 1.061 116 S CB 0.440 63.629 63.200 -0.020 0.000 1.152 116 S HN 0.179 nan 8.310 nan 0.000 0.495 117 P HA 0.023 nan 4.420 nan 0.000 0.210 117 P C 1.029 178.324 177.300 -0.009 0.000 1.185 117 P CA 0.991 64.084 63.100 -0.012 0.000 0.924 117 P CB -0.552 31.143 31.700 -0.009 0.000 0.786 118 G N 1.420 110.216 108.800 -0.006 0.000 2.224 118 G HA2 0.126 4.091 3.960 0.010 0.000 0.239 118 G HA3 0.126 4.091 3.960 0.010 0.000 0.239 118 G C -2.280 172.617 174.900 -0.005 0.000 1.240 118 G CA -0.480 44.618 45.100 -0.003 0.000 0.896 118 G HN 0.136 nan 8.290 nan 0.000 0.496 119 P HA 0.059 nan 4.420 nan 0.000 0.264 119 P C -1.904 175.395 177.300 -0.002 0.000 1.179 119 P CA -0.456 62.643 63.100 -0.002 0.000 0.763 119 P CB 0.141 31.844 31.700 0.005 0.000 0.806 120 P HA 0.195 nan 4.420 nan 0.000 0.276 120 P C -2.513 174.792 177.300 0.008 0.000 1.230 120 P CA -1.625 61.475 63.100 -0.000 0.000 0.776 120 P CB -0.425 31.272 31.700 -0.004 0.000 0.888 121 P HA -0.072 nan 4.420 nan 0.000 0.253 121 P C 1.073 178.382 177.300 0.016 0.000 1.159 121 P CA 0.488 63.595 63.100 0.011 0.000 0.779 121 P CB -0.115 31.591 31.700 0.009 0.000 0.745 122 A N 4.082 126.912 122.820 0.017 0.000 2.042 122 A HA -0.282 4.044 4.320 0.010 0.000 0.222 122 A C 2.125 179.718 177.584 0.016 0.000 1.167 122 A CA 1.969 54.019 52.037 0.021 0.000 0.649 122 A CB -0.775 18.236 19.000 0.018 0.000 0.809 122 A HN 0.583 nan 8.150 nan 0.000 0.457 123 E N -1.014 119.193 120.200 0.012 0.000 2.076 123 E HA -0.193 4.162 4.350 0.010 0.000 0.190 123 E C 2.252 178.860 176.600 0.013 0.000 0.979 123 E CA 0.961 57.366 56.400 0.009 0.000 0.807 123 E CB -0.172 29.532 29.700 0.006 0.000 0.761 123 E HN 0.775 nan 8.360 nan 0.000 0.454 124 Q N 0.396 120.205 119.800 0.016 0.000 2.046 124 Q HA -0.192 4.153 4.340 0.010 0.000 0.200 124 Q C 2.359 178.377 176.000 0.030 0.000 0.975 124 Q CA 1.294 57.109 55.803 0.020 0.000 0.836 124 Q CB -0.111 28.637 28.738 0.017 0.000 0.896 124 Q HN 0.318 nan 8.270 nan 0.000 0.428 125 L N 0.813 122.058 121.223 0.035 0.000 2.012 125 L HA -0.192 4.154 4.340 0.010 0.000 0.210 125 L C 2.218 179.122 176.870 0.057 0.000 1.073 125 L CA 1.515 56.391 54.840 0.061 0.000 0.748 125 L CB -0.906 41.196 42.059 0.072 0.000 0.891 125 L HN 0.333 nan 8.230 nan 0.000 0.431 126 L N -0.389 120.847 121.223 0.022 0.000 2.012 126 L HA -0.209 4.137 4.340 0.010 0.000 0.210 126 L C 2.796 179.663 176.870 -0.005 0.000 1.073 126 L CA 2.306 57.135 54.840 -0.019 0.000 0.748 126 L CB -1.219 40.827 42.059 -0.021 0.000 0.891 126 L HN 0.704 nan 8.230 nan 0.000 0.431 127 S N -1.322 114.388 115.700 0.016 0.000 2.382 127 S HA -0.242 4.233 4.470 0.010 0.000 0.228 127 S C 1.799 176.432 174.600 0.055 0.000 1.027 127 S CA 1.029 59.245 58.200 0.027 0.000 0.991 127 S CB -0.400 62.815 63.200 0.025 0.000 0.823 127 S HN 0.537 nan 8.310 nan 0.000 0.469 128 Q N 0.956 120.797 119.800 0.068 0.000 2.119 128 Q HA 0.083 4.429 4.340 0.010 0.000 0.201 128 Q C 2.620 178.718 176.000 0.163 0.000 0.972 128 Q CA 1.301 57.167 55.803 0.105 0.000 0.847 128 Q CB -0.489 28.304 28.738 0.091 0.000 0.903 128 Q HN 0.783 nan 8.270 nan 0.000 0.433 129 A N 1.331 124.227 122.820 0.128 0.000 1.873 129 A HA -0.184 4.142 4.320 0.010 0.000 0.215 129 A C 1.993 179.645 177.584 0.113 0.000 1.186 129 A CA 1.159 53.265 52.037 0.114 0.000 0.616 129 A CB -0.358 18.481 19.000 -0.269 0.000 0.823 129 A HN 0.208 nan 8.150 nan 0.000 0.442 130 R N -0.466 120.062 120.500 0.047 0.000 2.081 130 R HA -0.172 4.173 4.340 0.010 0.000 0.235 130 R C 2.007 178.378 176.300 0.118 0.000 1.131 130 R CA 1.642 57.776 56.100 0.057 0.000 0.960 130 R CB -0.582 29.729 30.300 0.019 0.000 0.856 130 R HN 0.708 nan 8.270 nan 0.000 0.436 131 D N 0.343 120.824 120.400 0.134 0.000 2.104 131 D HA -0.219 4.427 4.640 0.010 0.000 0.194 131 D C 1.678 178.102 176.300 0.206 0.000 0.994 131 D CA 1.082 55.173 54.000 0.151 0.000 0.830 131 D CB -0.096 40.790 40.800 0.143 0.000 0.959 131 D HN 0.139 nan 8.370 nan 0.000 0.452 132 F N 0.797 120.836 119.950 0.148 0.000 2.134 132 F HA -0.081 4.451 4.527 0.008 0.000 0.299 132 F C 1.937 177.887 175.800 0.251 0.000 1.097 132 F CA 1.017 59.142 58.000 0.208 0.000 1.264 132 F CB -0.244 38.884 39.000 0.215 0.000 1.001 132 F HN 0.005 nan 8.300 nan 0.000 0.479 133 I N 0.853 121.427 120.570 0.008 0.000 2.286 133 I HA -0.288 3.887 4.170 0.010 0.000 0.248 133 I C 1.940 178.094 176.117 0.062 0.000 1.115 133 I CA 1.107 62.418 61.300 0.018 0.000 1.392 133 I CB -1.654 36.453 38.000 0.177 0.000 1.065 133 I HN 0.228 nan 8.210 nan 0.000 0.418 134 N N 0.949 119.711 118.700 0.105 0.000 2.120 134 N HA -0.176 4.569 4.740 0.010 0.000 0.188 134 N C 1.839 177.316 175.510 -0.054 0.000 1.024 134 N CA 1.058 54.165 53.050 0.094 0.000 0.852 134 N CB -0.337 38.239 38.487 0.148 0.000 1.003 134 N HN 0.494 nan 8.380 nan 0.000 0.424 135 Q N -0.577 119.200 119.800 -0.038 0.000 2.084 135 Q HA -0.180 4.166 4.340 0.010 0.000 0.202 135 Q C 1.754 177.572 176.000 -0.302 0.000 0.978 135 Q CA 1.240 57.030 55.803 -0.021 0.000 0.844 135 Q CB -0.243 28.620 28.738 0.207 0.000 0.898 135 Q HN 0.448 nan 8.270 nan 0.000 0.426 136 Y N 0.013 119.920 120.300 -0.654 0.000 2.114 136 Y HA -0.281 4.274 4.550 0.008 0.000 0.284 136 Y C 1.724 177.113 175.900 -0.851 0.000 1.143 136 Y CA 1.559 59.023 58.100 -1.060 0.000 1.135 136 Y CB -0.485 37.426 38.460 -0.915 0.000 0.980 136 Y HN 0.075 nan 8.280 nan 0.000 0.499 137 Y N -0.362 119.509 120.300 -0.715 0.000 2.352 137 Y HA -0.179 4.378 4.550 0.011 0.000 0.292 137 Y C 2.742 178.302 175.900 -0.566 0.000 1.136 137 Y CA 1.622 59.279 58.100 -0.737 0.000 1.227 137 Y CB -0.520 37.374 38.460 -0.944 0.000 0.991 137 Y HN 0.087 nan 8.280 nan 0.000 0.545 138 S N -0.757 114.728 115.700 -0.357 0.000 2.383 138 S HA -0.192 4.284 4.470 0.010 0.000 0.227 138 S C 2.263 176.695 174.600 -0.281 0.000 1.026 138 S CA 1.267 59.329 58.200 -0.229 0.000 0.981 138 S CB -0.551 62.572 63.200 -0.129 0.000 0.818 138 S HN 0.633 nan 8.310 nan 0.000 0.472 139 S N 2.445 117.882 115.700 -0.439 0.000 2.423 139 S HA -0.046 4.430 4.470 0.010 0.000 0.231 139 S C 1.570 175.924 174.600 -0.410 0.000 1.014 139 S CA 1.011 58.971 58.200 -0.401 0.000 0.965 139 S CB -0.772 62.051 63.200 -0.628 0.000 0.785 139 S HN 0.720 nan 8.310 nan 0.000 0.495 140 I N -3.112 117.111 120.570 -0.579 0.000 3.904 140 I HA 0.416 4.591 4.170 0.010 0.000 0.333 140 I C -0.329 175.615 176.117 -0.289 0.000 1.361 140 I CA -0.578 60.446 61.300 -0.459 0.000 1.116 140 I CB -0.106 37.505 38.000 -0.649 0.000 1.028 140 I HN -0.132 nan 8.210 nan 0.000 0.398 141 K N 2.271 122.530 120.400 -0.235 0.000 3.096 141 K HA -0.153 4.172 4.320 0.010 0.000 0.266 141 K C -0.101 176.442 176.600 -0.095 0.000 1.043 141 K CA 0.493 56.699 56.287 -0.136 0.000 0.758 141 K CB -1.506 30.934 32.500 -0.100 0.000 1.260 141 K HN 0.595 nan 8.250 nan 0.000 0.481 142 R N -0.614 119.832 120.500 -0.089 0.000 2.668 142 R HA 0.077 4.423 4.340 0.010 0.000 0.435 142 R C 0.044 176.393 176.300 0.082 0.000 1.059 142 R CA -0.286 55.825 56.100 0.019 0.000 1.073 142 R CB 0.929 31.276 30.300 0.078 0.000 1.401 142 R HN 0.166 nan 8.270 nan 0.000 0.590 143 S N -0.050 115.668 115.700 0.029 0.000 2.498 143 S HA 0.304 4.779 4.470 0.010 0.000 0.281 143 S C 1.320 176.037 174.600 0.194 0.000 1.265 143 S CA 1.412 59.679 58.200 0.113 0.000 1.071 143 S CB 0.341 63.568 63.200 0.044 0.000 0.894 143 S HN 0.743 nan 8.310 nan 0.000 0.491 144 G N 3.319 112.346 108.800 0.379 0.000 2.176 144 G HA2 -0.274 3.691 3.960 0.010 0.000 0.253 144 G HA3 -0.274 3.691 3.960 0.010 0.000 0.253 144 G C 0.263 175.175 174.900 0.021 0.000 0.979 144 G CA 0.338 45.483 45.100 0.075 0.000 0.641 144 G HN 1.569 nan 8.290 nan 0.000 0.530 145 S N -0.640 115.104 115.700 0.075 0.000 2.608 145 S HA 0.463 4.939 4.470 0.010 0.000 0.261 145 S C 1.319 175.908 174.600 -0.018 0.000 1.314 145 S CA 0.705 58.924 58.200 0.031 0.000 0.992 145 S CB 1.468 64.709 63.200 0.068 0.000 0.935 145 S HN 0.523 nan 8.310 nan 0.000 0.564 146 Q N 0.594 120.385 119.800 -0.015 0.000 2.084 146 Q HA -0.137 4.209 4.340 0.010 0.000 0.202 146 Q C 2.233 178.208 176.000 -0.042 0.000 0.978 146 Q CA 1.581 57.365 55.803 -0.032 0.000 0.844 146 Q CB -0.768 27.963 28.738 -0.012 0.000 0.898 146 Q HN 0.937 nan 8.270 nan 0.000 0.426 147 A N -0.015 122.802 122.820 -0.004 0.000 1.933 147 A HA -0.240 4.085 4.320 0.010 0.000 0.218 147 A C 1.857 179.322 177.584 -0.198 0.000 1.175 147 A CA 1.682 53.728 52.037 0.016 0.000 0.628 147 A CB -0.967 18.137 19.000 0.173 0.000 0.814 147 A HN 0.705 nan 8.150 nan 0.000 0.444 148 H N -0.770 117.961 119.070 -0.565 0.000 2.299 148 H HA -0.099 4.463 4.556 0.010 0.000 0.302 148 H C 1.890 176.896 175.328 -0.536 0.000 1.078 148 H CA 1.191 56.585 56.048 -1.091 0.000 1.323 148 H CB 0.141 29.473 29.762 -0.717 0.000 1.381 148 H HN 0.409 nan 8.280 nan 0.000 0.498 149 E N 0.712 120.727 120.200 -0.308 0.000 2.150 149 E HA -0.148 4.208 4.350 0.010 0.000 0.193 149 E C 2.043 178.546 176.600 -0.162 0.000 0.985 149 E CA 0.913 57.150 56.400 -0.273 0.000 0.814 149 E CB -0.085 29.494 29.700 -0.203 0.000 0.752 149 E HN 0.705 nan 8.360 nan 0.000 0.466 150 E N 0.479 120.609 120.200 -0.116 0.000 2.150 150 E HA -0.160 4.196 4.350 0.010 0.000 0.193 150 E C 2.159 178.737 176.600 -0.037 0.000 0.985 150 E CA 0.666 57.031 56.400 -0.058 0.000 0.814 150 E CB -0.026 29.660 29.700 -0.024 0.000 0.752 150 E HN -0.067 nan 8.360 nan 0.000 0.466 151 R N 1.327 121.797 120.500 -0.050 0.000 2.073 151 R HA -0.053 4.293 4.340 0.010 0.000 0.229 151 R C 2.074 178.375 176.300 0.001 0.000 1.120 151 R CA 1.044 57.157 56.100 0.023 0.000 0.967 151 R CB -0.531 29.825 30.300 0.093 0.000 0.862 151 R HN 0.133 nan 8.270 nan 0.000 0.436 152 L N 0.333 121.525 121.223 -0.052 0.000 2.079 152 L HA -0.214 4.132 4.340 0.010 0.000 0.210 152 L C 2.512 179.343 176.870 -0.065 0.000 1.081 152 L CA 1.661 56.463 54.840 -0.064 0.000 0.752 152 L CB -0.417 41.566 42.059 -0.125 0.000 0.896 152 L HN 0.345 nan 8.230 nan 0.000 0.433 153 Q N -0.588 119.176 119.800 -0.060 0.000 2.119 153 Q HA -0.244 4.102 4.340 0.010 0.000 0.201 153 Q C 2.116 178.103 176.000 -0.020 0.000 0.972 153 Q CA 1.370 57.147 55.803 -0.043 0.000 0.847 153 Q CB -0.096 28.618 28.738 -0.040 0.000 0.903 153 Q HN 0.494 nan 8.270 nan 0.000 0.433 154 E N 0.349 120.548 120.200 -0.003 0.000 2.077 154 E HA -0.173 4.183 4.350 0.010 0.000 0.193 154 E C 1.990 178.606 176.600 0.026 0.000 0.989 154 E CA 1.092 57.508 56.400 0.027 0.000 0.800 154 E CB 0.213 29.945 29.700 0.055 0.000 0.746 154 E HN 0.127 nan 8.360 nan 0.000 0.452 155 V N 1.420 121.325 119.914 -0.016 0.000 2.295 155 V HA -0.250 3.876 4.120 0.010 0.000 0.246 155 V C 2.060 178.091 176.094 -0.105 0.000 1.049 155 V CA 2.173 64.407 62.300 -0.110 0.000 1.024 155 V CB -0.513 31.134 31.823 -0.294 0.000 0.648 155 V HN 0.293 nan 8.190 nan 0.000 0.447 156 E N 0.461 120.612 120.200 -0.083 0.000 2.110 156 E HA -0.192 4.164 4.350 0.010 0.000 0.193 156 E C 2.299 178.889 176.600 -0.016 0.000 0.988 156 E CA 1.321 57.688 56.400 -0.055 0.000 0.804 156 E CB -0.351 29.320 29.700 -0.049 0.000 0.745 156 E HN 0.608 nan 8.360 nan 0.000 0.458 157 A N 1.525 124.343 122.820 -0.002 0.000 1.873 157 A HA -0.248 4.078 4.320 0.010 0.000 0.215 157 A C 2.108 179.716 177.584 0.040 0.000 1.186 157 A CA 1.642 53.689 52.037 0.017 0.000 0.616 157 A CB -0.452 18.560 19.000 0.019 0.000 0.823 157 A HN 0.276 nan 8.150 nan 0.000 0.442 158 E N -0.209 120.028 120.200 0.063 0.000 2.077 158 E HA -0.134 4.221 4.350 0.010 0.000 0.193 158 E C 1.767 178.433 176.600 0.111 0.000 0.989 158 E CA 1.498 57.963 56.400 0.109 0.000 0.800 158 E CB -0.136 29.671 29.700 0.179 0.000 0.746 158 E HN 0.278 nan 8.360 nan 0.000 0.452 159 V N 1.158 121.126 119.914 0.091 0.000 2.515 159 V HA -0.225 3.901 4.120 0.010 0.000 0.250 159 V C 2.404 178.531 176.094 0.054 0.000 1.058 159 V CA 1.550 63.901 62.300 0.084 0.000 1.064 159 V CB -0.654 31.197 31.823 0.047 0.000 0.675 159 V HN 0.461 nan 8.190 nan 0.000 0.461 160 A N 0.874 123.717 122.820 0.037 0.000 1.865 160 A HA -0.221 4.105 4.320 0.010 0.000 0.217 160 A C 2.482 180.085 177.584 0.033 0.000 1.191 160 A CA 2.516 54.569 52.037 0.027 0.000 0.623 160 A CB -0.720 18.291 19.000 0.018 0.000 0.826 160 A HN 0.686 nan 8.150 nan 0.000 0.444 161 S N -1.810 113.915 115.700 0.041 0.000 2.528 161 S HA 0.004 4.480 4.470 0.010 0.000 0.219 161 S C 1.393 176.023 174.600 0.049 0.000 0.985 161 S CA 1.337 59.561 58.200 0.041 0.000 0.914 161 S CB -0.330 62.894 63.200 0.039 0.000 0.776 161 S HN 0.820 nan 8.310 nan 0.000 0.526 162 T N -4.301 110.292 114.554 0.064 0.000 2.986 162 T HA 0.547 4.902 4.350 0.010 0.000 0.264 162 T C 1.592 176.331 174.700 0.065 0.000 0.964 162 T CA 0.758 62.901 62.100 0.072 0.000 0.895 162 T CB 0.161 69.091 68.868 0.103 0.000 1.163 162 T HN 1.089 nan 8.240 nan 0.000 0.517 163 G N 0.480 109.317 108.800 0.062 0.000 2.225 163 G HA2 -0.224 3.742 3.960 0.010 0.000 0.254 163 G HA3 -0.224 3.742 3.960 0.010 0.000 0.254 163 G C 0.236 175.174 174.900 0.064 0.000 0.988 163 G CA 0.658 45.789 45.100 0.052 0.000 0.625 163 G HN 1.028 nan 8.290 nan 0.000 0.527 164 T N -1.255 113.350 114.554 0.084 0.000 2.696 164 T HA 0.734 5.090 4.350 0.010 0.000 0.291 164 T C -1.044 173.764 174.700 0.181 0.000 1.095 164 T CA 0.359 62.508 62.100 0.083 0.000 1.026 164 T CB 1.581 70.417 68.868 -0.053 0.000 1.390 164 T HN 1.444 nan 8.240 nan 0.000 0.513 165 Y N -0.859 119.372 120.300 -0.114 0.000 2.705 165 Y HA 0.835 5.390 4.550 0.009 0.000 0.332 165 Y C -1.541 174.203 175.900 -0.259 0.000 1.221 165 Y CA -1.206 56.875 58.100 -0.031 0.000 1.059 165 Y CB 0.925 39.408 38.460 0.037 0.000 1.298 165 Y HN 0.747 nan 8.280 nan 0.000 0.459 166 H N 0.546 119.635 119.070 0.031 0.000 2.690 166 H HA 0.628 5.190 4.556 0.009 0.000 0.368 166 H C -1.091 174.277 175.328 0.066 0.000 1.150 166 H CA -0.856 55.156 56.048 -0.061 0.000 1.174 166 H CB 2.007 31.779 29.762 0.015 0.000 1.684 166 H HN 0.706 nan 8.280 nan 0.000 0.538 167 L N 2.157 123.453 121.223 0.122 0.000 2.357 167 L HA 0.469 4.814 4.340 0.010 0.000 0.273 167 L C 0.584 177.530 176.870 0.127 0.000 1.080 167 L CA -0.676 54.261 54.840 0.163 0.000 0.803 167 L CB 0.829 42.960 42.059 0.120 0.000 1.174 167 L HN 0.429 nan 8.230 nan 0.000 0.443 168 R N 1.021 121.574 120.500 0.088 0.000 2.615 168 R HA 0.033 4.379 4.340 0.010 0.000 0.270 168 R C 1.075 177.374 176.300 -0.000 0.000 1.081 168 R CA -0.403 55.719 56.100 0.036 0.000 1.154 168 R CB 0.824 31.123 30.300 -0.002 0.000 1.063 168 R HN 0.658 nan 8.270 nan 0.000 0.519 169 E N 1.137 121.337 120.200 0.001 0.000 2.065 169 E HA -0.277 4.079 4.350 0.010 0.000 0.201 169 E C 1.540 178.130 176.600 -0.017 0.000 1.016 169 E CA 2.352 58.746 56.400 -0.010 0.000 0.818 169 E CB 0.056 29.755 29.700 -0.001 0.000 0.749 169 E HN 0.690 nan 8.360 nan 0.000 0.453 170 S N -0.018 115.668 115.700 -0.023 0.000 2.419 170 S HA -0.164 4.312 4.470 0.010 0.000 0.233 170 S C 1.687 176.262 174.600 -0.041 0.000 1.016 170 S CA 1.268 59.472 58.200 0.007 0.000 0.974 170 S CB -0.263 62.972 63.200 0.058 0.000 0.786 170 S HN 0.343 nan 8.310 nan 0.000 0.492 171 E N 0.791 120.856 120.200 -0.225 0.000 2.107 171 E HA 0.003 4.359 4.350 0.010 0.000 0.191 171 E C 2.005 178.732 176.600 0.212 0.000 0.982 171 E CA 0.905 57.201 56.400 -0.173 0.000 0.809 171 E CB -0.296 29.315 29.700 -0.149 0.000 0.756 171 E HN 0.433 nan 8.360 nan 0.000 0.459 172 L N 0.940 122.197 121.223 0.057 0.000 2.056 172 L HA -0.141 4.205 4.340 0.010 0.000 0.207 172 L C 2.191 179.045 176.870 -0.026 0.000 1.078 172 L CA 1.374 56.186 54.840 -0.047 0.000 0.749 172 L CB -0.341 41.633 42.059 -0.142 0.000 0.901 172 L HN -0.070 nan 8.230 nan 0.000 0.433 173 V N -0.359 119.571 119.914 0.027 0.000 2.287 173 V HA -0.316 3.810 4.120 0.010 0.000 0.248 173 V C 2.349 178.532 176.094 0.149 0.000 1.053 173 V CA 2.177 64.507 62.300 0.050 0.000 1.027 173 V CB -0.950 30.909 31.823 0.061 0.000 0.646 173 V HN 0.576 nan 8.190 nan 0.000 0.447 174 F N 2.063 122.089 119.950 0.126 0.000 2.102 174 F HA -0.055 4.477 4.527 0.008 0.000 0.298 174 F C 2.184 178.114 175.800 0.216 0.000 1.105 174 F CA 1.803 59.930 58.000 0.213 0.000 1.239 174 F CB -0.993 38.203 39.000 0.326 0.000 0.991 174 F HN 0.124 nan 8.300 nan 0.000 0.474 175 G N -0.270 108.590 108.800 0.101 0.000 2.418 175 G HA2 -0.206 3.760 3.960 0.010 0.000 0.217 175 G HA3 -0.206 3.760 3.960 0.010 0.000 0.217 175 G C 1.811 176.562 174.900 -0.248 0.000 1.158 175 G CA 0.856 45.888 45.100 -0.115 0.000 0.771 175 G HN 0.654 nan 8.290 nan 0.000 0.545 176 A N 0.770 123.484 122.820 -0.178 0.000 1.902 176 A HA 0.022 4.348 4.320 0.010 0.000 0.217 176 A C 2.311 179.881 177.584 -0.024 0.000 1.181 176 A CA 1.885 53.825 52.037 -0.161 0.000 0.623 176 A CB -0.306 18.629 19.000 -0.108 0.000 0.818 176 A HN 0.375 nan 8.150 nan 0.000 0.443 177 K N -0.776 119.648 120.400 0.040 0.000 2.097 177 K HA -0.110 4.215 4.320 0.010 0.000 0.205 177 K C 2.231 178.869 176.600 0.064 0.000 1.050 177 K CA 1.198 57.614 56.287 0.215 0.000 0.938 177 K CB -0.133 32.553 32.500 0.311 0.000 0.718 177 K HN 0.370 nan 8.250 nan 0.000 0.442 178 Q N 0.246 119.905 119.800 -0.235 0.000 2.167 178 Q HA -0.075 4.271 4.340 0.010 0.000 0.202 178 Q C 2.139 177.976 176.000 -0.273 0.000 0.970 178 Q CA 1.401 56.967 55.803 -0.395 0.000 0.855 178 Q CB -0.224 28.153 28.738 -0.602 0.000 0.911 178 Q HN 0.316 nan 8.270 nan 0.000 0.438 179 A N 0.065 122.724 122.820 -0.268 0.000 1.933 179 A HA -0.177 4.149 4.320 0.010 0.000 0.218 179 A C 1.810 179.402 177.584 0.012 0.000 1.175 179 A CA 1.313 53.136 52.037 -0.356 0.000 0.628 179 A CB -0.872 17.556 19.000 -0.954 0.000 0.814 179 A HN 0.521 nan 8.150 nan 0.000 0.444 180 W N 0.955 122.255 121.300 -0.000 0.000 2.378 180 W HA -0.103 4.562 4.660 0.007 0.000 0.313 180 W C 2.335 178.812 176.519 -0.069 0.000 1.197 180 W CA 1.462 58.853 57.345 0.076 0.000 1.304 180 W CB -0.752 28.747 29.460 0.065 0.000 1.148 180 W HN 0.363 nan 8.180 nan 0.000 0.494 181 R N 0.411 120.829 120.500 -0.137 0.000 2.117 181 R HA -0.207 4.138 4.340 0.010 0.000 0.243 181 R C 1.583 177.716 176.300 -0.279 0.000 1.143 181 R CA 1.931 57.732 56.100 -0.499 0.000 0.968 181 R CB -0.562 29.121 30.300 -1.029 0.000 0.863 181 R HN 0.111 nan 8.270 nan 0.000 0.444 182 N N 0.302 118.893 118.700 -0.182 0.000 2.463 182 N HA 0.013 4.759 4.740 0.010 0.000 0.181 182 N C -0.250 175.210 175.510 -0.083 0.000 1.078 182 N CA 0.722 53.690 53.050 -0.136 0.000 0.902 182 N CB 0.264 38.670 38.487 -0.134 0.000 0.970 182 N HN 0.182 nan 8.380 nan 0.000 0.451 183 A N 2.187 125.006 122.820 -0.002 0.000 2.500 183 A HA 0.189 4.514 4.320 0.010 0.000 0.285 183 A C -1.254 176.303 177.584 -0.046 0.000 1.183 183 A CA -0.853 51.181 52.037 -0.004 0.000 0.851 183 A CB 0.199 19.243 19.000 0.073 0.000 1.091 183 A HN 0.029 nan 8.150 nan 0.000 0.521 184 P HA -0.109 nan 4.420 nan 0.000 0.222 184 P C 1.045 178.281 177.300 -0.106 0.000 1.147 184 P CA 1.114 64.144 63.100 -0.116 0.000 0.790 184 P CB 0.165 31.757 31.700 -0.179 0.000 0.780 185 R N -2.254 118.148 120.500 -0.164 0.000 2.334 185 R HA 0.158 4.504 4.340 0.010 0.000 0.216 185 R C 0.262 176.541 176.300 -0.035 0.000 0.905 185 R CA -0.143 55.874 56.100 -0.139 0.000 1.064 185 R CB -0.323 29.723 30.300 -0.423 0.000 1.046 185 R HN 0.164 nan 8.270 nan 0.000 0.508 186 C N 0.675 119.954 119.300 -0.036 0.000 2.325 186 C HA 0.220 4.685 4.460 0.010 0.000 0.347 186 C C 1.835 176.783 174.990 -0.070 0.000 1.263 186 C CA -0.615 58.408 59.018 0.009 0.000 1.806 186 C CB 0.558 28.372 27.740 0.123 0.000 2.405 186 C HN 0.277 nan 8.230 nan 0.000 0.537 187 V N 6.042 125.872 119.914 -0.139 0.000 3.541 187 V HA 0.228 4.353 4.120 0.010 0.000 0.267 187 V C 1.726 177.851 176.094 0.051 0.000 1.213 187 V CA 1.911 64.043 62.300 -0.280 0.000 1.149 187 V CB -0.066 31.598 31.823 -0.265 0.000 0.822 187 V HN 1.076 nan 8.190 nan 0.000 0.462 188 G N -0.663 108.193 108.800 0.093 0.000 3.371 188 G HA2 0.059 4.025 3.960 0.010 0.000 0.248 188 G HA3 0.059 4.025 3.960 0.010 0.000 0.248 188 G C 1.224 176.166 174.900 0.070 0.000 1.161 188 G CA -0.337 44.833 45.100 0.116 0.000 0.796 188 G HN 0.421 nan 8.290 nan 0.000 0.539 189 R N -0.139 120.326 120.500 -0.058 0.000 2.341 189 R HA 0.091 4.437 4.340 0.010 0.000 0.213 189 R C 1.979 177.874 176.300 -0.675 0.000 1.082 189 R CA 0.255 56.034 56.100 -0.535 0.000 1.017 189 R CB -0.164 29.780 30.300 -0.594 0.000 0.860 189 R HN 0.441 nan 8.270 nan 0.000 0.473 190 I N 0.982 121.333 120.570 -0.364 0.000 2.756 190 I HA -0.235 3.941 4.170 0.010 0.000 0.262 190 I C 1.225 177.255 176.117 -0.145 0.000 1.225 190 I CA 1.230 62.468 61.300 -0.104 0.000 1.472 190 I CB 0.151 38.186 38.000 0.059 0.000 1.094 190 I HN 0.217 nan 8.210 nan 0.000 0.454 191 Q N 0.472 120.125 119.800 -0.244 0.000 2.360 191 Q HA -0.099 4.247 4.340 0.010 0.000 0.202 191 Q C 1.659 177.262 176.000 -0.661 0.000 0.915 191 Q CA 0.367 56.016 55.803 -0.257 0.000 0.943 191 Q CB -0.206 28.544 28.738 0.020 0.000 1.064 191 Q HN 0.776 nan 8.270 nan 0.000 0.511 192 W N 0.484 121.096 121.300 -1.147 0.000 2.308 192 W HA -0.178 4.490 4.660 0.013 0.000 0.301 192 W C 1.240 177.472 176.519 -0.478 0.000 1.220 192 W CA 1.310 57.851 57.345 -1.341 0.000 1.240 192 W CB -1.373 27.479 29.460 -1.014 0.000 1.142 192 W HN 0.087 nan 8.180 nan 0.000 0.521 193 G N 1.145 109.186 108.800 -1.266 0.000 2.534 193 G HA2 -0.252 3.714 3.960 0.010 0.000 0.217 193 G HA3 -0.252 3.714 3.960 0.010 0.000 0.217 193 G C 1.594 176.254 174.900 -0.401 0.000 1.128 193 G CA 0.730 45.196 45.100 -1.057 0.000 0.784 193 G HN 0.392 nan 8.290 nan 0.000 0.542 194 K N -0.149 120.115 120.400 -0.227 0.000 2.410 194 K HA 0.254 4.580 4.320 0.010 0.000 0.200 194 K C 0.315 176.973 176.600 0.097 0.000 1.023 194 K CA -0.670 55.594 56.287 -0.037 0.000 1.149 194 K CB -0.098 32.412 32.500 0.017 0.000 0.859 194 K HN 0.183 nan 8.250 nan 0.000 0.514 195 L N 2.366 123.702 121.223 0.188 0.000 2.499 195 L HA 0.030 4.376 4.340 0.010 0.000 0.273 195 L C -0.342 176.536 176.870 0.012 0.000 1.195 195 L CA 0.513 55.487 54.840 0.222 0.000 0.882 195 L CB 0.802 43.088 42.059 0.378 0.000 1.133 195 L HN 0.101 nan 8.230 nan 0.000 0.483 196 Q N 4.031 123.768 119.800 -0.106 0.000 2.322 196 Q HA 0.378 4.724 4.340 0.010 0.000 0.256 196 Q C -1.415 174.236 176.000 -0.582 0.000 0.960 196 Q CA -0.244 55.338 55.803 -0.367 0.000 0.934 196 Q CB 1.026 29.473 28.738 -0.485 0.000 1.200 196 Q HN 0.514 nan 8.270 nan 0.000 0.435 197 V N 6.264 125.895 119.914 -0.471 0.000 2.348 197 V HA 0.351 4.477 4.120 0.010 0.000 0.270 197 V C -0.549 175.274 176.094 -0.452 0.000 1.037 197 V CA -0.495 61.571 62.300 -0.389 0.000 0.872 197 V CB -0.055 31.652 31.823 -0.193 0.000 1.002 197 V HN 0.609 nan 8.190 nan 0.000 0.464 198 F N 2.736 122.559 119.950 -0.211 0.000 2.411 198 F HA 0.356 4.886 4.527 0.004 0.000 0.355 198 F C 0.604 176.236 175.800 -0.281 0.000 1.117 198 F CA -1.153 56.707 58.000 -0.232 0.000 1.139 198 F CB 0.854 39.711 39.000 -0.239 0.000 1.120 198 F HN 0.410 nan 8.300 nan 0.000 0.493 199 D N 3.177 123.549 120.400 -0.046 0.000 2.365 199 D HA 0.385 5.030 4.640 0.010 0.000 0.237 199 D C 0.058 176.190 176.300 -0.280 0.000 1.190 199 D CA 0.095 53.996 54.000 -0.164 0.000 0.867 199 D CB 1.137 41.883 40.800 -0.090 0.000 1.050 199 D HN 0.620 nan 8.370 nan 0.000 0.491 200 A N 4.610 127.106 122.820 -0.539 0.000 2.701 200 A HA 0.158 4.484 4.320 0.010 0.000 0.297 200 A C 1.473 178.771 177.584 -0.477 0.000 1.197 200 A CA -0.401 51.087 52.037 -0.915 0.000 0.963 200 A CB 0.023 17.939 19.000 -1.806 0.000 1.175 200 A HN 0.528 nan 8.150 nan 0.000 0.531 201 R N 0.580 120.935 120.500 -0.241 0.000 2.339 201 R HA -0.065 4.280 4.340 0.010 0.000 0.199 201 R C 0.501 176.779 176.300 -0.036 0.000 1.018 201 R CA 1.122 57.162 56.100 -0.100 0.000 1.036 201 R CB 0.088 30.386 30.300 -0.004 0.000 0.899 201 R HN 0.677 nan 8.270 nan 0.000 0.473 202 D N -1.140 119.254 120.400 -0.010 0.000 2.379 202 D HA -0.052 4.594 4.640 0.010 0.000 0.208 202 D C 0.376 176.759 176.300 0.139 0.000 1.065 202 D CA -0.333 53.712 54.000 0.075 0.000 0.848 202 D CB -0.537 40.325 40.800 0.103 0.000 0.949 202 D HN -0.039 nan 8.370 nan 0.000 0.509 203 C N 1.984 121.364 119.300 0.134 0.000 2.596 203 C HA 0.307 4.773 4.460 0.010 0.000 0.414 203 C C 1.585 176.751 174.990 0.293 0.000 1.396 203 C CA 0.743 59.920 59.018 0.264 0.000 1.698 203 C CB -0.707 27.216 27.740 0.305 0.000 2.572 203 C HN 0.475 nan 8.230 nan 0.000 0.604 204 S N 2.490 118.390 115.700 0.333 0.000 2.900 204 S HA 0.349 4.824 4.470 0.010 0.000 0.253 204 S C -0.125 174.634 174.600 0.265 0.000 1.029 204 S CA 0.206 58.613 58.200 0.346 0.000 1.096 204 S CB -0.221 63.109 63.200 0.217 0.000 1.067 204 S HN 1.295 nan 8.310 nan 0.000 0.610 205 S N -0.479 115.385 115.700 0.273 0.000 2.588 205 S HA 0.796 5.272 4.470 0.010 0.000 0.269 205 S C 0.752 175.441 174.600 0.147 0.000 1.157 205 S CA -0.316 57.979 58.200 0.158 0.000 0.824 205 S CB 0.885 64.160 63.200 0.125 0.000 1.126 205 S HN 0.554 nan 8.310 nan 0.000 0.464 206 A N 0.715 123.591 122.820 0.095 0.000 1.930 206 A HA -0.047 4.279 4.320 0.010 0.000 0.217 206 A C 2.104 179.679 177.584 -0.016 0.000 1.175 206 A CA 2.127 54.207 52.037 0.072 0.000 0.627 206 A CB -1.163 17.935 19.000 0.163 0.000 0.815 206 A HN 0.915 nan 8.150 nan 0.000 0.443 207 Q N 0.315 120.184 119.800 0.115 0.000 2.084 207 Q HA -0.204 4.142 4.340 0.010 0.000 0.202 207 Q C 1.883 177.885 176.000 0.003 0.000 0.978 207 Q CA 2.366 58.211 55.803 0.070 0.000 0.844 207 Q CB -0.388 28.469 28.738 0.197 0.000 0.898 207 Q HN 0.748 nan 8.270 nan 0.000 0.426 208 E N -0.911 119.333 120.200 0.074 0.000 2.150 208 E HA -0.155 4.201 4.350 0.010 0.000 0.193 208 E C 1.872 178.587 176.600 0.191 0.000 0.985 208 E CA 1.017 57.481 56.400 0.108 0.000 0.814 208 E CB -0.078 29.732 29.700 0.182 0.000 0.752 208 E HN 0.470 nan 8.360 nan 0.000 0.466 209 M N -0.225 119.453 119.600 0.129 0.000 2.117 209 M HA -0.139 4.347 4.480 0.010 0.000 0.262 209 M C 2.106 178.457 176.300 0.084 0.000 1.065 209 M CA 1.429 56.767 55.300 0.062 0.000 1.114 209 M CB -0.333 32.090 32.600 -0.294 0.000 1.361 209 M HN 0.223 nan 8.290 nan 0.000 0.408 210 F N 0.873 120.624 119.950 -0.332 0.000 2.134 210 F HA -0.242 4.292 4.527 0.012 0.000 0.299 210 F C 2.274 177.974 175.800 -0.167 0.000 1.097 210 F CA 1.661 59.412 58.000 -0.416 0.000 1.264 210 F CB -0.128 38.296 39.000 -0.960 0.000 1.001 210 F HN 0.043 nan 8.300 nan 0.000 0.479 211 T N -0.366 114.053 114.554 -0.225 0.000 2.708 211 T HA -0.255 4.101 4.350 0.010 0.000 0.266 211 T C 1.568 176.124 174.700 -0.240 0.000 1.037 211 T CA 1.943 63.860 62.100 -0.304 0.000 1.146 211 T CB -0.797 67.928 68.868 -0.237 0.000 0.865 211 T HN 0.370 nan 8.240 nan 0.000 0.435 212 Y N 0.835 121.100 120.300 -0.059 0.000 2.181 212 Y HA -0.065 4.490 4.550 0.008 0.000 0.288 212 Y C 2.317 178.195 175.900 -0.036 0.000 1.146 212 Y CA 0.841 58.920 58.100 -0.035 0.000 1.164 212 Y CB -0.331 38.196 38.460 0.111 0.000 0.982 212 Y HN 0.167 nan 8.280 nan 0.000 0.515 213 I N -1.495 119.182 120.570 0.179 0.000 2.226 213 I HA -0.355 3.821 4.170 0.010 0.000 0.245 213 I C 2.286 178.364 176.117 -0.066 0.000 1.100 213 I CA 0.911 62.254 61.300 0.072 0.000 1.374 213 I CB -0.505 37.533 38.000 0.062 0.000 1.057 213 I HN 0.323 nan 8.210 nan 0.000 0.413 214 C N 0.721 119.859 119.300 -0.269 0.000 2.425 214 C HA -0.128 4.337 4.460 0.010 0.000 0.277 214 C C 2.627 177.531 174.990 -0.144 0.000 1.280 214 C CA 0.793 59.634 59.018 -0.294 0.000 1.744 214 C CB -1.399 26.018 27.740 -0.539 0.000 1.989 214 C HN 0.546 nan 8.230 nan 0.000 0.491 215 N N -0.053 118.558 118.700 -0.149 0.000 2.142 215 N HA -0.135 4.610 4.740 0.010 0.000 0.186 215 N C 1.448 176.917 175.510 -0.068 0.000 1.023 215 N CA 1.429 54.392 53.050 -0.144 0.000 0.852 215 N CB -0.798 37.540 38.487 -0.249 0.000 0.998 215 N HN 0.752 nan 8.380 nan 0.000 0.424 216 H N 0.729 119.720 119.070 -0.130 0.000 2.290 216 H HA 0.022 4.585 4.556 0.012 0.000 0.298 216 H C 2.145 177.535 175.328 0.103 0.000 1.087 216 H CA 1.679 57.731 56.048 0.006 0.000 1.291 216 H CB -0.081 29.715 29.762 0.057 0.000 1.369 216 H HN 0.090 nan 8.280 nan 0.000 0.492 217 I N 0.686 121.426 120.570 0.282 0.000 2.208 217 I HA -0.292 3.884 4.170 0.010 0.000 0.245 217 I C 2.370 178.575 176.117 0.147 0.000 1.097 217 I CA 1.539 62.955 61.300 0.194 0.000 1.363 217 I CB -0.287 37.748 38.000 0.058 0.000 1.051 217 I HN 0.353 nan 8.210 nan 0.000 0.413 218 K N -0.120 120.336 120.400 0.093 0.000 2.057 218 K HA -0.218 4.108 4.320 0.010 0.000 0.206 218 K C 2.235 178.895 176.600 0.100 0.000 1.050 218 K CA 1.589 57.916 56.287 0.066 0.000 0.935 218 K CB -0.396 32.117 32.500 0.022 0.000 0.715 218 K HN 0.261 nan 8.250 nan 0.000 0.439 219 Y N 1.553 121.870 120.300 0.028 0.000 2.163 219 Y HA -0.217 4.335 4.550 0.004 0.000 0.288 219 Y C 2.249 178.211 175.900 0.103 0.000 1.136 219 Y CA 1.481 59.623 58.100 0.071 0.000 1.147 219 Y CB -0.294 38.235 38.460 0.115 0.000 0.987 219 Y HN 0.037 nan 8.280 nan 0.000 0.509 220 A N -0.786 122.209 122.820 0.291 0.000 1.898 220 A HA -0.148 4.178 4.320 0.010 0.000 0.216 220 A C 2.202 179.865 177.584 0.131 0.000 1.181 220 A CA 2.190 54.360 52.037 0.222 0.000 0.620 220 A CB -1.267 17.910 19.000 0.295 0.000 0.819 220 A HN 0.504 nan 8.150 nan 0.000 0.442 221 T N -0.222 114.405 114.554 0.121 0.000 2.777 221 T HA -0.098 4.258 4.350 0.010 0.000 0.266 221 T C 1.088 175.808 174.700 0.033 0.000 1.040 221 T CA 1.209 63.366 62.100 0.096 0.000 1.141 221 T CB -0.418 68.503 68.868 0.089 0.000 0.868 221 T HN 0.636 nan 8.240 nan 0.000 0.444 222 N N 1.117 119.807 118.700 -0.017 0.000 2.707 222 N HA -0.255 4.490 4.740 0.010 0.000 0.253 222 N C -0.141 175.348 175.510 -0.035 0.000 0.998 222 N CA 0.569 53.580 53.050 -0.065 0.000 0.751 222 N CB -1.315 37.091 38.487 -0.134 0.000 0.920 222 N HN 0.493 nan 8.380 nan 0.000 0.539 223 R N -2.283 118.209 120.500 -0.014 0.000 3.758 223 R HA -0.222 4.124 4.340 0.010 0.000 0.299 223 R C 1.273 177.564 176.300 -0.015 0.000 1.182 223 R CA 1.263 57.355 56.100 -0.013 0.000 0.809 223 R CB -1.843 28.444 30.300 -0.022 0.000 1.249 223 R HN 0.966 nan 8.270 nan 0.000 0.497 224 G N -0.534 108.266 108.800 0.001 0.000 2.278 224 G HA2 -0.298 3.668 3.960 0.010 0.000 0.210 224 G HA3 -0.298 3.668 3.960 0.010 0.000 0.210 224 G C -0.096 174.801 174.900 -0.005 0.000 1.000 224 G CA 0.002 45.104 45.100 0.002 0.000 0.635 224 G HN 0.343 nan 8.290 nan 0.000 0.495 225 N N 1.381 120.064 118.700 -0.027 0.000 3.234 225 N HA 0.504 5.250 4.740 0.010 0.000 0.272 225 N C 0.348 175.837 175.510 -0.036 0.000 1.254 225 N CA -0.495 52.520 53.050 -0.059 0.000 1.087 225 N CB -0.196 38.248 38.487 -0.070 0.000 1.356 225 N HN 0.205 nan 8.380 nan 0.000 0.511 226 L N 1.763 122.998 121.223 0.020 0.000 2.543 226 L HA 0.101 4.446 4.340 0.010 0.000 0.285 226 L C 0.838 177.838 176.870 0.217 0.000 1.236 226 L CA 0.985 55.913 54.840 0.147 0.000 0.871 226 L CB 0.174 42.416 42.059 0.305 0.000 1.121 226 L HN 0.330 nan 8.230 nan 0.000 0.501 227 R N 1.398 122.035 120.500 0.228 0.000 2.561 227 R HA 0.439 4.785 4.340 0.010 0.000 0.297 227 R C -0.574 175.897 176.300 0.286 0.000 0.969 227 R CA -0.700 55.558 56.100 0.263 0.000 0.879 227 R CB 1.710 32.047 30.300 0.062 0.000 1.178 227 R HN 0.577 nan 8.270 nan 0.000 0.445 228 S N 1.404 117.270 115.700 0.277 0.000 2.560 228 S HA 0.433 4.909 4.470 0.010 0.000 0.284 228 S C -0.210 174.420 174.600 0.049 0.000 1.327 228 S CA -0.028 58.218 58.200 0.077 0.000 1.055 228 S CB 1.072 64.293 63.200 0.036 0.000 0.868 228 S HN 0.708 nan 8.310 nan 0.000 0.506 229 A N 2.383 125.179 122.820 -0.041 0.000 2.608 229 A HA 0.771 5.096 4.320 0.010 0.000 0.292 229 A C -1.382 176.184 177.584 -0.030 0.000 1.066 229 A CA -0.650 51.292 52.037 -0.158 0.000 0.676 229 A CB 1.064 19.899 19.000 -0.276 0.000 1.277 229 A HN 0.793 nan 8.150 nan 0.000 0.413 230 I N 0.475 121.016 120.570 -0.047 0.000 2.722 230 I HA 0.668 4.843 4.170 0.010 0.000 0.295 230 I C -1.139 175.051 176.117 0.122 0.000 1.161 230 I CA -0.130 61.275 61.300 0.175 0.000 1.032 230 I CB 2.403 40.478 38.000 0.125 0.000 1.244 230 I HN 0.611 nan 8.210 nan 0.000 0.421 231 T N 6.336 121.009 114.554 0.198 0.000 2.786 231 T HA 0.468 4.824 4.350 0.010 0.000 0.283 231 T C -0.760 173.749 174.700 -0.318 0.000 0.992 231 T CA -0.371 61.702 62.100 -0.045 0.000 0.954 231 T CB 1.528 70.373 68.868 -0.039 0.000 0.934 231 T HN 0.271 nan 8.240 nan 0.000 0.440 232 V N 5.014 124.666 119.914 -0.438 0.000 2.347 232 V HA 0.483 4.609 4.120 0.010 0.000 0.280 232 V C -0.461 175.321 176.094 -0.520 0.000 1.021 232 V CA -0.821 61.230 62.300 -0.415 0.000 0.847 232 V CB 0.076 31.620 31.823 -0.465 0.000 0.990 232 V HN 0.717 nan 8.190 nan 0.000 0.444 233 F N 5.012 124.869 119.950 -0.155 0.000 2.380 233 F HA 0.518 5.052 4.527 0.011 0.000 0.319 233 F C -1.806 173.871 175.800 -0.204 0.000 1.113 233 F CA -2.549 55.271 58.000 -0.300 0.000 1.056 233 F CB 0.282 39.083 39.000 -0.331 0.000 1.289 233 F HN 0.296 nan 8.300 nan 0.000 0.515 234 P HA -0.066 nan 4.420 nan 0.000 0.263 234 P C -0.905 176.403 177.300 0.014 0.000 1.168 234 P CA 0.099 63.115 63.100 -0.139 0.000 0.759 234 P CB 0.174 31.682 31.700 -0.321 0.000 0.782 235 Q N 3.561 123.305 119.800 -0.093 0.000 2.535 235 Q HA 0.173 4.519 4.340 0.010 0.000 0.228 235 Q C -0.230 175.654 176.000 -0.193 0.000 1.062 235 Q CA -0.419 55.091 55.803 -0.488 0.000 0.967 235 Q CB 0.552 28.715 28.738 -0.958 0.000 1.273 235 Q HN 0.337 nan 8.270 nan 0.000 0.554 236 R N -0.057 120.309 120.500 -0.225 0.000 2.590 236 R HA 0.434 4.780 4.340 0.010 0.000 0.274 236 R C -0.705 175.535 176.300 -0.100 0.000 1.061 236 R CA 0.234 56.279 56.100 -0.091 0.000 1.081 236 R CB 0.638 30.880 30.300 -0.096 0.000 0.984 236 R HN 0.695 nan 8.270 nan 0.000 0.448 237 A N 4.165 126.968 122.820 -0.029 0.000 2.371 237 A HA 0.504 4.829 4.320 0.010 0.000 0.311 237 A C -2.451 175.128 177.584 -0.009 0.000 1.068 237 A CA -2.064 49.961 52.037 -0.020 0.000 0.744 237 A CB 1.278 20.296 19.000 0.029 0.000 1.239 237 A HN 0.418 nan 8.150 nan 0.000 0.435 238 P HA 0.179 nan 4.420 nan 0.000 0.259 238 P C 1.271 178.574 177.300 0.005 0.000 1.163 238 P CA 2.307 65.405 63.100 -0.004 0.000 0.760 238 P CB 0.528 32.229 31.700 0.002 0.000 0.762 239 G N 2.552 111.353 108.800 0.002 0.000 2.480 239 G HA2 -0.345 3.620 3.960 0.010 0.000 0.246 239 G HA3 -0.345 3.620 3.960 0.010 0.000 0.246 239 G C 0.590 175.493 174.900 0.005 0.000 1.073 239 G CA 0.168 45.271 45.100 0.005 0.000 0.643 239 G HN 0.731 nan 8.290 nan 0.000 0.525 240 R N 1.862 122.367 120.500 0.008 0.000 2.539 240 R HA 0.483 4.829 4.340 0.010 0.000 0.275 240 R C 1.135 177.435 176.300 -0.001 0.000 1.077 240 R CA 0.306 56.410 56.100 0.007 0.000 1.097 240 R CB 0.133 30.445 30.300 0.020 0.000 1.018 240 R HN 0.391 nan 8.270 nan 0.000 0.483 241 G N 2.099 110.889 108.800 -0.016 0.000 2.594 241 G HA2 0.023 3.989 3.960 0.010 0.000 0.243 241 G HA3 0.023 3.989 3.960 0.010 0.000 0.243 241 G C -0.618 174.264 174.900 -0.029 0.000 1.229 241 G CA -0.495 44.591 45.100 -0.023 0.000 0.843 241 G HN 0.634 nan 8.290 nan 0.000 0.578 242 D N -0.390 120.009 120.400 -0.002 0.000 2.312 242 D HA 0.303 4.949 4.640 0.010 0.000 0.248 242 D C -0.289 176.030 176.300 0.031 0.000 1.086 242 D CA 0.083 54.114 54.000 0.052 0.000 0.948 242 D CB 1.048 41.886 40.800 0.063 0.000 1.162 242 D HN 0.109 nan 8.370 nan 0.000 0.446 243 F N 1.214 121.188 119.950 0.040 0.000 2.410 243 F HA 0.315 4.848 4.527 0.011 0.000 0.348 243 F C 0.988 176.814 175.800 0.043 0.000 1.106 243 F CA -0.010 58.004 58.000 0.023 0.000 1.163 243 F CB 0.692 39.700 39.000 0.013 0.000 1.129 243 F HN -0.201 nan 8.300 nan 0.000 0.516 244 R N 3.873 124.496 120.500 0.206 0.000 2.651 244 R HA 0.521 4.867 4.340 0.010 0.000 0.278 244 R C -1.271 175.181 176.300 0.253 0.000 1.010 244 R CA -0.858 55.377 56.100 0.224 0.000 0.896 244 R CB 2.294 32.739 30.300 0.242 0.000 1.211 244 R HN 0.627 nan 8.270 nan 0.000 0.456 245 I N 2.058 122.763 120.570 0.226 0.000 2.330 245 I HA 0.170 4.345 4.170 0.010 0.000 0.289 245 I C 0.442 176.771 176.117 0.353 0.000 1.001 245 I CA -0.419 61.011 61.300 0.217 0.000 1.193 245 I CB 1.274 39.341 38.000 0.111 0.000 1.345 245 I HN 0.531 nan 8.210 nan 0.000 0.461 246 W N 3.468 124.811 121.300 0.071 0.000 2.418 246 W HA -0.052 4.614 4.660 0.009 0.000 0.292 246 W C 0.957 177.583 176.519 0.178 0.000 1.213 246 W CA 0.034 57.492 57.345 0.188 0.000 1.283 246 W CB -0.810 28.749 29.460 0.165 0.000 1.119 246 W HN 0.396 nan 8.180 nan 0.000 0.542 247 N N 0.143 119.008 118.700 0.276 0.000 2.479 247 N HA -0.000 4.745 4.740 0.010 0.000 0.257 247 N C 1.318 176.892 175.510 0.105 0.000 1.232 247 N CA 0.887 54.018 53.050 0.136 0.000 0.920 247 N CB 0.718 39.220 38.487 0.026 0.000 1.105 247 N HN -0.098 nan 8.380 nan 0.000 0.444 248 S N 0.645 116.397 115.700 0.086 0.000 2.436 248 S HA -0.031 4.445 4.470 0.010 0.000 0.228 248 S C 0.330 174.925 174.600 -0.008 0.000 1.014 248 S CA 0.669 58.904 58.200 0.060 0.000 0.950 248 S CB 0.062 63.316 63.200 0.089 0.000 0.784 248 S HN 0.643 nan 8.310 nan 0.000 0.504 249 Q N -0.771 119.007 119.800 -0.036 0.000 2.456 249 Q HA 0.499 4.845 4.340 0.010 0.000 0.284 249 Q C 0.161 176.075 176.000 -0.143 0.000 1.061 249 Q CA -0.564 55.177 55.803 -0.104 0.000 0.799 249 Q CB 1.926 30.627 28.738 -0.063 0.000 1.445 249 Q HN 0.105 nan 8.270 nan 0.000 0.411 250 L N 0.058 121.171 121.223 -0.184 0.000 2.141 250 L HA 0.021 4.367 4.340 0.010 0.000 0.209 250 L C 0.424 177.149 176.870 -0.243 0.000 1.094 250 L CA 0.859 55.593 54.840 -0.175 0.000 0.763 250 L CB 0.112 42.065 42.059 -0.178 0.000 0.908 250 L HN 0.255 nan 8.230 nan 0.000 0.437 251 V N 0.952 120.629 119.914 -0.395 0.000 2.409 251 V HA 0.489 4.615 4.120 0.010 0.000 0.291 251 V C -0.228 175.350 176.094 -0.860 0.000 1.020 251 V CA -0.667 61.222 62.300 -0.685 0.000 0.848 251 V CB 1.651 32.873 31.823 -1.001 0.000 0.990 251 V HN 0.183 nan 8.190 nan 0.000 0.430 252 R N 2.806 122.933 120.500 -0.622 0.000 2.707 252 R HA 0.489 4.834 4.340 0.010 0.000 0.272 252 R C -1.913 174.201 176.300 -0.310 0.000 1.011 252 R CA -0.811 55.061 56.100 -0.380 0.000 0.893 252 R CB 2.467 32.680 30.300 -0.145 0.000 1.233 252 R HN 0.561 nan 8.270 nan 0.000 0.464 253 Y N 0.387 120.693 120.300 0.010 0.000 2.323 253 Y HA 0.445 5.000 4.550 0.010 0.000 0.331 253 Y C 0.933 176.801 175.900 -0.053 0.000 1.092 253 Y CA -0.630 57.482 58.100 0.020 0.000 1.150 253 Y CB 1.354 39.890 38.460 0.127 0.000 1.200 253 Y HN 0.708 nan 8.280 nan 0.000 0.472 254 A N 1.870 124.719 122.820 0.049 0.000 2.492 254 A HA 0.509 4.834 4.320 0.010 0.000 0.236 254 A C 0.638 177.992 177.584 -0.382 0.000 1.078 254 A CA 0.383 52.286 52.037 -0.224 0.000 0.773 254 A CB -0.264 18.536 19.000 -0.333 0.000 1.023 254 A HN 0.960 nan 8.150 nan 0.000 0.504 255 G N 0.323 108.869 108.800 -0.423 0.000 2.675 255 G HA2 0.542 4.508 3.960 0.010 0.000 0.297 255 G HA3 0.542 4.508 3.960 0.010 0.000 0.297 255 G C -1.064 173.662 174.900 -0.291 0.000 1.399 255 G CA -0.280 44.630 45.100 -0.317 0.000 0.981 255 G HN 0.554 nan 8.290 nan 0.000 0.519 256 Y N 1.770 122.082 120.300 0.020 0.000 2.353 256 Y HA 0.475 5.031 4.550 0.010 0.000 0.340 256 Y C 0.901 176.801 175.900 -0.001 0.000 0.972 256 Y CA -1.155 56.957 58.100 0.021 0.000 1.157 256 Y CB 1.433 39.903 38.460 0.016 0.000 1.157 256 Y HN 0.424 nan 8.280 nan 0.000 0.495 257 R N 2.892 123.479 120.500 0.146 0.000 2.537 257 R HA 0.091 4.436 4.340 0.010 0.000 0.280 257 R C -0.376 175.967 176.300 0.072 0.000 1.058 257 R CA 0.067 56.215 56.100 0.079 0.000 1.057 257 R CB 0.280 30.615 30.300 0.058 0.000 0.973 257 R HN 0.564 nan 8.270 nan 0.000 0.438 258 Q N 2.430 122.257 119.800 0.046 0.000 2.204 258 Q HA 0.119 4.464 4.340 0.010 0.000 0.254 258 Q C 0.704 176.713 176.000 0.015 0.000 0.981 258 Q CA -0.672 55.148 55.803 0.028 0.000 0.897 258 Q CB 1.144 29.895 28.738 0.022 0.000 1.273 258 Q HN 0.528 nan 8.270 nan 0.000 0.464 259 Q N 0.811 120.614 119.800 0.005 0.000 2.112 259 Q HA -0.211 4.135 4.340 0.010 0.000 0.206 259 Q C 1.115 177.116 176.000 0.003 0.000 0.987 259 Q CA 2.265 58.069 55.803 0.001 0.000 0.858 259 Q CB -0.284 28.451 28.738 -0.006 0.000 0.905 259 Q HN 0.711 nan 8.270 nan 0.000 0.420 260 D N -2.277 118.126 120.400 0.004 0.000 2.347 260 D HA 0.098 4.744 4.640 0.010 0.000 0.215 260 D C 1.113 177.418 176.300 0.007 0.000 0.976 260 D CA 0.920 54.923 54.000 0.004 0.000 0.884 260 D CB 0.000 40.802 40.800 0.003 0.000 0.915 260 D HN 0.303 nan 8.370 nan 0.000 0.526 261 G N -0.338 108.468 108.800 0.010 0.000 2.253 261 G HA2 -0.247 3.719 3.960 0.010 0.000 0.209 261 G HA3 -0.247 3.719 3.960 0.010 0.000 0.209 261 G C 0.574 175.482 174.900 0.014 0.000 0.997 261 G CA 0.174 45.282 45.100 0.013 0.000 0.640 261 G HN 0.760 nan 8.290 nan 0.000 0.496 262 S N -0.637 115.070 115.700 0.012 0.000 2.633 262 S HA 0.720 5.196 4.470 0.010 0.000 0.257 262 S C 0.115 174.721 174.600 0.010 0.000 1.265 262 S CA 0.195 58.400 58.200 0.009 0.000 0.980 262 S CB 2.003 65.207 63.200 0.006 0.000 1.017 262 S HN 1.147 nan 8.310 nan 0.000 0.577 263 V N 0.793 120.704 119.914 -0.005 0.000 2.709 263 V HA 0.555 4.681 4.120 0.010 0.000 0.308 263 V C -0.130 175.943 176.094 -0.034 0.000 1.062 263 V CA -0.826 61.466 62.300 -0.013 0.000 0.901 263 V CB 1.720 33.518 31.823 -0.042 0.000 1.003 263 V HN 0.938 nan 8.190 nan 0.000 0.425 264 R N 2.516 123.021 120.500 0.009 0.000 2.294 264 R HA 0.699 5.045 4.340 0.010 0.000 0.319 264 R C 0.527 176.788 176.300 -0.065 0.000 0.984 264 R CA 0.867 56.971 56.100 0.008 0.000 0.861 264 R CB 1.205 31.573 30.300 0.114 0.000 1.104 264 R HN 1.209 nan 8.270 nan 0.000 0.451 265 G N 2.943 111.612 108.800 -0.218 0.000 2.464 265 G HA2 -0.241 3.724 3.960 0.010 0.000 0.216 265 G HA3 -0.241 3.724 3.960 0.010 0.000 0.216 265 G C -1.339 173.155 174.900 -0.676 0.000 1.186 265 G CA -0.088 44.802 45.100 -0.349 0.000 1.010 265 G HN 0.623 nan 8.290 nan 0.000 0.585 266 D N 1.648 121.797 120.400 -0.419 0.000 2.412 266 D HA 0.589 5.234 4.640 0.010 0.000 0.224 266 D C -1.112 175.083 176.300 -0.176 0.000 1.093 266 D CA -2.011 51.772 54.000 -0.362 0.000 0.850 266 D CB 1.555 42.444 40.800 0.147 0.000 1.046 266 D HN -0.019 nan 8.370 nan 0.000 0.507 267 P HA -0.098 nan 4.420 nan 0.000 0.219 267 P C 0.898 178.203 177.300 0.009 0.000 1.146 267 P CA 0.913 63.973 63.100 -0.067 0.000 0.808 267 P CB 0.290 31.961 31.700 -0.048 0.000 0.779 268 A N -0.476 122.371 122.820 0.046 0.000 2.067 268 A HA -0.118 4.207 4.320 0.010 0.000 0.219 268 A C 1.489 179.122 177.584 0.082 0.000 1.158 268 A CA 1.299 53.395 52.037 0.098 0.000 0.661 268 A CB -0.831 18.257 19.000 0.145 0.000 0.801 268 A HN 0.164 nan 8.150 nan 0.000 0.452 269 N N -0.189 118.540 118.700 0.049 0.000 2.321 269 N HA 0.173 4.918 4.740 0.010 0.000 0.242 269 N C 0.949 176.450 175.510 -0.015 0.000 1.141 269 N CA 0.114 53.179 53.050 0.026 0.000 0.864 269 N CB 0.765 39.264 38.487 0.020 0.000 1.100 269 N HN 0.200 nan 8.380 nan 0.000 0.510 270 V N 0.717 120.628 119.914 -0.005 0.000 2.307 270 V HA -0.217 3.909 4.120 0.010 0.000 0.245 270 V C 2.445 178.534 176.094 -0.008 0.000 1.045 270 V CA 1.740 64.035 62.300 -0.009 0.000 1.024 270 V CB -0.267 31.561 31.823 0.008 0.000 0.651 270 V HN 0.382 nan 8.190 nan 0.000 0.449 271 E N -0.032 120.166 120.200 -0.004 0.000 2.051 271 E HA -0.264 4.092 4.350 0.010 0.000 0.192 271 E C 2.147 178.662 176.600 -0.142 0.000 0.991 271 E CA 1.763 58.133 56.400 -0.050 0.000 0.799 271 E CB -0.208 29.495 29.700 0.004 0.000 0.748 271 E HN 0.466 nan 8.360 nan 0.000 0.449 272 I N 0.865 121.364 120.570 -0.117 0.000 2.286 272 I HA -0.218 3.958 4.170 0.010 0.000 0.248 272 I C 2.042 178.099 176.117 -0.100 0.000 1.115 272 I CA 1.610 62.820 61.300 -0.150 0.000 1.392 272 I CB -0.420 37.546 38.000 -0.055 0.000 1.065 272 I HN 0.116 nan 8.210 nan 0.000 0.418 273 T N 0.462 114.982 114.554 -0.057 0.000 2.746 273 T HA -0.171 4.184 4.350 0.010 0.000 0.267 273 T C 1.720 176.483 174.700 0.105 0.000 1.039 273 T CA 1.817 63.923 62.100 0.010 0.000 1.142 273 T CB -0.287 68.581 68.868 -0.001 0.000 0.866 273 T HN 0.492 nan 8.240 nan 0.000 0.444 274 E N 0.754 120.986 120.200 0.053 0.000 2.150 274 E HA -0.018 4.338 4.350 0.010 0.000 0.193 274 E C 2.216 178.845 176.600 0.048 0.000 0.985 274 E CA 0.679 57.118 56.400 0.064 0.000 0.814 274 E CB -0.267 29.447 29.700 0.022 0.000 0.752 274 E HN 0.419 nan 8.360 nan 0.000 0.466 275 L N 0.351 121.564 121.223 -0.016 0.000 2.056 275 L HA -0.199 4.147 4.340 0.010 0.000 0.207 275 L C 2.569 179.526 176.870 0.145 0.000 1.078 275 L CA 0.718 55.579 54.840 0.035 0.000 0.749 275 L CB -0.365 41.627 42.059 -0.111 0.000 0.901 275 L HN 0.298 nan 8.230 nan 0.000 0.433 276 C N -0.088 119.254 119.300 0.070 0.000 2.425 276 C HA -0.153 4.313 4.460 0.010 0.000 0.277 276 C C 2.720 177.872 174.990 0.270 0.000 1.280 276 C CA 0.519 59.590 59.018 0.088 0.000 1.744 276 C CB -0.647 27.045 27.740 -0.081 0.000 1.989 276 C HN 0.420 nan 8.230 nan 0.000 0.491 277 I N 0.375 121.120 120.570 0.292 0.000 2.163 277 I HA -0.247 3.929 4.170 0.010 0.000 0.240 277 I C 2.645 178.824 176.117 0.104 0.000 1.081 277 I CA 1.512 62.951 61.300 0.231 0.000 1.353 277 I CB -0.688 37.419 38.000 0.179 0.000 1.054 277 I HN 0.424 nan 8.210 nan 0.000 0.407 278 Q N -0.070 119.765 119.800 0.058 0.000 2.248 278 Q HA -0.207 4.139 4.340 0.010 0.000 0.208 278 Q C 1.230 177.115 176.000 -0.192 0.000 0.984 278 Q CA 1.089 56.852 55.803 -0.066 0.000 0.875 278 Q CB -0.152 28.531 28.738 -0.092 0.000 0.910 278 Q HN 0.621 nan 8.270 nan 0.000 0.433 279 H N -1.600 117.457 119.070 -0.022 0.000 2.537 279 H HA 0.199 4.760 4.556 0.010 0.000 0.295 279 H C 0.910 176.212 175.328 -0.044 0.000 1.054 279 H CA 0.681 56.690 56.048 -0.065 0.000 1.156 279 H CB 0.918 30.596 29.762 -0.140 0.000 1.468 279 H HN 0.464 nan 8.280 nan 0.000 0.551 280 G N 0.769 109.603 108.800 0.057 0.000 2.176 280 G HA2 -0.239 3.726 3.960 0.010 0.000 0.232 280 G HA3 -0.239 3.726 3.960 0.010 0.000 0.232 280 G C -0.105 174.860 174.900 0.109 0.000 0.986 280 G CA -0.074 45.051 45.100 0.043 0.000 0.643 280 G HN 0.391 nan 8.290 nan 0.000 0.522 281 W N 2.727 124.005 121.300 -0.036 0.000 2.266 281 W HA 0.640 5.306 4.660 0.010 0.000 0.317 281 W C 0.273 176.784 176.519 -0.013 0.000 1.310 281 W CA 0.198 57.526 57.345 -0.029 0.000 1.207 281 W CB 0.805 30.258 29.460 -0.013 0.000 1.199 281 W HN 0.039 nan 8.180 nan 0.000 0.544 282 T N 9.786 124.013 114.554 -0.546 0.000 2.739 282 T HA 0.180 4.536 4.350 0.010 0.000 0.298 282 T C -2.026 171.933 174.700 -1.235 0.000 0.929 282 T CA -0.873 60.858 62.100 -0.615 0.000 1.014 282 T CB 0.350 69.000 68.868 -0.364 0.000 0.914 282 T HN 0.249 nan 8.240 nan 0.000 0.509 283 P HA 0.287 nan 4.420 nan 0.000 0.272 283 P C 0.372 177.262 177.300 -0.685 0.000 1.230 283 P CA -0.248 62.143 63.100 -1.181 0.000 0.788 283 P CB 0.915 32.318 31.700 -0.496 0.000 0.949 284 G N 0.671 109.217 108.800 -0.424 0.000 2.702 284 G HA2 0.345 4.311 3.960 0.010 0.000 0.254 284 G HA3 0.345 4.311 3.960 0.010 0.000 0.254 284 G C 0.023 174.629 174.900 -0.490 0.000 1.380 284 G CA -0.749 44.214 45.100 -0.228 0.000 1.042 284 G HN 0.763 nan 8.290 nan 0.000 0.557 285 N N -1.508 117.026 118.700 -0.277 0.000 2.381 285 N HA 0.264 5.010 4.740 0.010 0.000 0.257 285 N C 0.456 175.955 175.510 -0.019 0.000 1.409 285 N CA -0.446 52.387 53.050 -0.361 0.000 0.836 285 N CB 0.927 39.253 38.487 -0.268 0.000 1.384 285 N HN 0.647 nan 8.380 nan 0.000 0.490 286 G N 0.457 109.365 108.800 0.180 0.000 2.531 286 G HA2 0.222 4.188 3.960 0.010 0.000 0.313 286 G HA3 0.222 4.188 3.960 0.010 0.000 0.313 286 G C 0.203 175.216 174.900 0.189 0.000 1.238 286 G CA -0.693 44.516 45.100 0.183 0.000 0.994 286 G HN 0.169 nan 8.290 nan 0.000 0.493 287 R N -1.446 119.073 120.500 0.032 0.000 2.254 287 R HA 0.213 4.559 4.340 0.010 0.000 0.195 287 R C -0.088 175.809 176.300 -0.671 0.000 0.957 287 R CA 0.338 56.278 56.100 -0.267 0.000 1.024 287 R CB 0.044 30.139 30.300 -0.342 0.000 0.952 287 R HN 0.394 nan 8.270 nan 0.000 0.484 288 F N 0.719 120.626 119.950 -0.071 0.000 2.576 288 F HA 0.283 4.816 4.527 0.010 0.000 0.365 288 F C -0.974 174.794 175.800 -0.054 0.000 1.506 288 F CA -1.077 56.638 58.000 -0.476 0.000 1.113 288 F CB 0.811 39.334 39.000 -0.794 0.000 1.293 288 F HN -0.257 nan 8.300 nan 0.000 0.540 289 D N 1.695 122.265 120.400 0.284 0.000 2.295 289 D HA 0.196 4.842 4.640 0.010 0.000 0.248 289 D C 0.206 176.753 176.300 0.412 0.000 1.154 289 D CA 0.139 54.367 54.000 0.380 0.000 0.857 289 D CB 2.271 43.355 40.800 0.472 0.000 1.117 289 D HN -0.056 nan 8.370 nan 0.000 0.468 290 V N 3.807 123.931 119.914 0.350 0.000 2.529 290 V HA 0.023 4.148 4.120 0.010 0.000 0.292 290 V C 0.963 177.060 176.094 0.005 0.000 1.028 290 V CA -0.301 62.089 62.300 0.150 0.000 1.074 290 V CB 0.379 32.250 31.823 0.080 0.000 0.958 290 V HN 0.334 nan 8.190 nan 0.000 0.481 291 L N 8.135 129.257 121.223 -0.169 0.000 2.436 291 L HA 0.373 4.719 4.340 0.010 0.000 0.265 291 L C -1.661 174.948 176.870 -0.434 0.000 1.168 291 L CA -1.381 53.196 54.840 -0.439 0.000 0.815 291 L CB 1.008 42.835 42.059 -0.386 0.000 1.109 291 L HN 0.494 nan 8.230 nan 0.000 0.462 292 P HA 0.267 nan 4.420 nan 0.000 0.279 292 P C -1.202 175.918 177.300 -0.301 0.000 1.276 292 P CA -0.525 62.313 63.100 -0.437 0.000 0.801 292 P CB 1.066 32.400 31.700 -0.611 0.000 1.127 293 L N 0.462 121.591 121.223 -0.156 0.000 2.322 293 L HA 0.442 4.788 4.340 0.010 0.000 0.279 293 L C 0.347 177.165 176.870 -0.088 0.000 1.036 293 L CA -0.863 53.930 54.840 -0.078 0.000 0.807 293 L CB 0.970 43.048 42.059 0.032 0.000 1.226 293 L HN 0.199 nan 8.230 nan 0.000 0.433 294 L N 4.863 126.016 121.223 -0.117 0.000 2.283 294 L HA 0.463 4.809 4.340 0.010 0.000 0.281 294 L C -0.649 176.096 176.870 -0.209 0.000 1.033 294 L CA -0.249 54.426 54.840 -0.275 0.000 0.848 294 L CB 0.937 42.723 42.059 -0.455 0.000 1.226 294 L HN 0.439 nan 8.230 nan 0.000 0.429 295 L N 3.893 125.052 121.223 -0.106 0.000 2.309 295 L HA 0.522 4.868 4.340 0.010 0.000 0.282 295 L C -0.265 176.542 176.870 -0.105 0.000 1.036 295 L CA -0.392 54.420 54.840 -0.047 0.000 0.806 295 L CB 1.780 43.840 42.059 0.002 0.000 1.220 295 L HN 0.561 nan 8.230 nan 0.000 0.429 296 Q N 2.380 122.149 119.800 -0.052 0.000 2.310 296 Q HA 0.689 5.035 4.340 0.010 0.000 0.270 296 Q C -1.270 174.674 176.000 -0.093 0.000 1.025 296 Q CA -0.541 55.231 55.803 -0.050 0.000 0.772 296 Q CB 2.270 31.063 28.738 0.090 0.000 1.253 296 Q HN 0.790 nan 8.270 nan 0.000 0.450 297 A N 4.674 127.382 122.820 -0.185 0.000 2.264 297 A HA 0.705 5.031 4.320 0.010 0.000 0.304 297 A C -2.458 174.864 177.584 -0.438 0.000 1.100 297 A CA -1.742 50.014 52.037 -0.468 0.000 0.839 297 A CB 0.239 19.062 19.000 -0.294 0.000 1.121 297 A HN 0.636 nan 8.150 nan 0.000 0.496 298 P HA 0.019 nan 4.420 nan 0.000 0.260 298 P C -0.744 176.460 177.300 -0.161 0.000 1.172 298 P CA 0.911 63.809 63.100 -0.335 0.000 0.760 298 P CB 0.058 31.565 31.700 -0.322 0.000 0.773 299 D N 0.688 121.038 120.400 -0.084 0.000 2.751 299 D HA -0.189 4.457 4.640 0.010 0.000 0.233 299 D C -0.211 176.072 176.300 -0.027 0.000 1.149 299 D CA 1.266 55.245 54.000 -0.034 0.000 0.682 299 D CB -0.745 40.039 40.800 -0.027 0.000 1.068 299 D HN 0.569 nan 8.370 nan 0.000 0.429 300 E N -0.782 119.398 120.200 -0.034 0.000 2.343 300 E HA 0.663 5.018 4.350 0.010 0.000 0.270 300 E C -0.251 176.344 176.600 -0.009 0.000 0.895 300 E CA -0.906 55.478 56.400 -0.027 0.000 0.767 300 E CB 1.757 31.426 29.700 -0.052 0.000 1.248 300 E HN 0.131 nan 8.360 nan 0.000 0.440 301 A N 2.587 125.401 122.820 -0.010 0.000 2.386 301 A HA 0.354 4.680 4.320 0.010 0.000 0.248 301 A C -2.072 175.430 177.584 -0.136 0.000 1.082 301 A CA -0.971 51.056 52.037 -0.017 0.000 0.789 301 A CB -0.377 18.631 19.000 0.013 0.000 1.025 301 A HN 0.325 nan 8.150 nan 0.000 0.490 302 P HA 0.177 nan 4.420 nan 0.000 0.269 302 P C -0.676 176.377 177.300 -0.411 0.000 1.209 302 P CA 0.163 62.928 63.100 -0.560 0.000 0.776 302 P CB 0.723 31.595 31.700 -1.379 0.000 0.876 303 E N 0.750 120.782 120.200 -0.280 0.000 2.195 303 E HA 0.423 4.778 4.350 0.010 0.000 0.271 303 E C -0.781 175.590 176.600 -0.382 0.000 0.923 303 E CA -1.069 55.163 56.400 -0.281 0.000 0.790 303 E CB 1.459 31.060 29.700 -0.164 0.000 1.155 303 E HN 0.279 nan 8.360 nan 0.000 0.402 304 L N 3.192 124.088 121.223 -0.544 0.000 2.292 304 L HA 0.433 4.779 4.340 0.010 0.000 0.284 304 L C -1.570 174.794 176.870 -0.845 0.000 1.065 304 L CA 0.172 54.716 54.840 -0.494 0.000 0.806 304 L CB 0.152 42.032 42.059 -0.298 0.000 1.175 304 L HN 0.409 nan 8.230 nan 0.000 0.431 305 F N 4.110 123.834 119.950 -0.376 0.000 2.557 305 F HA 0.461 4.994 4.527 0.011 0.000 0.316 305 F C -0.304 175.231 175.800 -0.441 0.000 1.141 305 F CA -0.879 56.758 58.000 -0.605 0.000 0.922 305 F CB 1.834 40.125 39.000 -1.181 0.000 1.194 305 F HN 0.017 nan 8.300 nan 0.000 0.443 306 V N 4.769 124.585 119.914 -0.164 0.000 2.432 306 V HA 0.270 4.395 4.120 0.010 0.000 0.275 306 V C 0.193 176.366 176.094 0.131 0.000 1.043 306 V CA -0.687 61.606 62.300 -0.012 0.000 0.925 306 V CB 1.336 33.195 31.823 0.059 0.000 0.985 306 V HN 0.539 nan 8.190 nan 0.000 0.466 307 L N 7.496 128.822 121.223 0.173 0.000 2.360 307 L HA 0.281 4.627 4.340 0.010 0.000 0.276 307 L C -2.105 174.877 176.870 0.186 0.000 1.121 307 L CA -1.476 53.520 54.840 0.261 0.000 0.845 307 L CB 0.633 42.779 42.059 0.145 0.000 1.143 307 L HN 0.440 nan 8.230 nan 0.000 0.452 308 P HA 0.049 nan 4.420 nan 0.000 0.262 308 P C -1.989 175.365 177.300 0.091 0.000 1.199 308 P CA -0.876 62.302 63.100 0.129 0.000 0.763 308 P CB 0.408 32.173 31.700 0.108 0.000 0.790 309 P HA -0.258 nan 4.420 nan 0.000 0.217 309 P C 1.365 178.699 177.300 0.056 0.000 1.151 309 P CA 1.437 64.581 63.100 0.074 0.000 0.849 309 P CB -0.194 31.551 31.700 0.076 0.000 0.787 310 E N -0.152 120.077 120.200 0.049 0.000 2.333 310 E HA -0.137 4.218 4.350 0.010 0.000 0.198 310 E C 1.668 178.286 176.600 0.030 0.000 1.007 310 E CA 1.021 57.442 56.400 0.035 0.000 0.845 310 E CB -1.014 28.703 29.700 0.029 0.000 0.766 310 E HN 0.334 nan 8.360 nan 0.000 0.507 311 L N 0.879 122.122 121.223 0.033 0.000 2.375 311 L HA 0.104 4.449 4.340 0.010 0.000 0.215 311 L C 0.733 177.621 176.870 0.029 0.000 1.108 311 L CA 0.048 54.902 54.840 0.024 0.000 0.830 311 L CB 0.432 42.498 42.059 0.012 0.000 0.959 311 L HN -0.107 nan 8.230 nan 0.000 0.457 312 V N 2.372 122.306 119.914 0.034 0.000 2.304 312 V HA 0.141 4.266 4.120 0.010 0.000 0.262 312 V C 0.035 176.159 176.094 0.051 0.000 1.061 312 V CA -0.486 61.833 62.300 0.032 0.000 0.872 312 V CB 1.104 32.938 31.823 0.018 0.000 1.077 312 V HN 0.054 nan 8.190 nan 0.000 0.480 313 L N 5.817 127.076 121.223 0.060 0.000 2.360 313 L HA 0.429 4.775 4.340 0.010 0.000 0.276 313 L C 0.203 177.115 176.870 0.070 0.000 1.121 313 L CA 0.803 55.673 54.840 0.050 0.000 0.845 313 L CB 0.338 42.423 42.059 0.043 0.000 1.143 313 L HN 0.660 nan 8.230 nan 0.000 0.452 314 E N 3.307 123.525 120.200 0.031 0.000 2.320 314 E HA 0.613 4.969 4.350 0.010 0.000 0.264 314 E C -1.463 175.081 176.600 -0.093 0.000 0.923 314 E CA -1.058 55.358 56.400 0.027 0.000 0.796 314 E CB 2.464 32.209 29.700 0.076 0.000 1.262 314 E HN 0.353 nan 8.360 nan 0.000 0.428 315 V N 2.582 122.405 119.914 -0.151 0.000 2.409 315 V HA 0.291 4.417 4.120 0.010 0.000 0.290 315 V C -2.460 173.557 176.094 -0.128 0.000 1.017 315 V CA -1.994 60.150 62.300 -0.261 0.000 0.841 315 V CB 1.268 32.672 31.823 -0.697 0.000 1.003 315 V HN 0.515 nan 8.190 nan 0.000 0.426 316 P HA 0.269 nan 4.420 nan 0.000 0.271 316 P C -0.632 176.664 177.300 -0.006 0.000 1.216 316 P CA -0.059 63.004 63.100 -0.061 0.000 0.771 316 P CB 0.586 32.259 31.700 -0.044 0.000 0.864 317 L N 3.508 124.764 121.223 0.055 0.000 2.292 317 L HA 0.474 4.820 4.340 0.010 0.000 0.284 317 L C 0.982 178.011 176.870 0.264 0.000 1.065 317 L CA -0.230 54.712 54.840 0.169 0.000 0.806 317 L CB 0.633 42.857 42.059 0.275 0.000 1.175 317 L HN 0.484 nan 8.230 nan 0.000 0.431 318 E N 1.814 122.142 120.200 0.213 0.000 2.416 318 E HA 0.424 4.780 4.350 0.010 0.000 0.273 318 E C -1.348 175.307 176.600 0.091 0.000 0.935 318 E CA -0.948 55.595 56.400 0.239 0.000 0.784 318 E CB 2.304 32.113 29.700 0.183 0.000 1.301 318 E HN 0.473 nan 8.360 nan 0.000 0.454 319 H N 1.519 120.489 119.070 -0.166 0.000 2.472 319 H HA 0.243 4.805 4.556 0.010 0.000 0.338 319 H C -1.793 173.251 175.328 -0.473 0.000 1.133 319 H CA -2.350 53.434 56.048 -0.440 0.000 1.216 319 H CB 2.055 31.439 29.762 -0.630 0.000 1.497 319 H HN 0.427 nan 8.280 nan 0.000 0.500 320 P HA -0.126 nan 4.420 nan 0.000 0.219 320 P C 0.883 178.015 177.300 -0.279 0.000 1.146 320 P CA 1.815 64.393 63.100 -0.871 0.000 0.808 320 P CB 0.477 31.643 31.700 -0.890 0.000 0.779 321 T N -4.554 110.014 114.554 0.024 0.000 3.010 321 T HA 0.189 4.545 4.350 0.010 0.000 0.252 321 T C 0.913 175.567 174.700 -0.077 0.000 0.963 321 T CA -0.243 61.861 62.100 0.007 0.000 0.952 321 T CB -0.634 68.247 68.868 0.021 0.000 1.182 321 T HN -0.067 nan 8.240 nan 0.000 0.495 322 L N 2.983 124.065 121.223 -0.234 0.000 2.462 322 L HA 0.330 4.676 4.340 0.010 0.000 0.283 322 L C 1.259 177.766 176.870 -0.604 0.000 1.166 322 L CA -0.220 54.194 54.840 -0.711 0.000 0.964 322 L CB 0.244 41.444 42.059 -1.431 0.000 1.294 322 L HN 0.315 nan 8.230 nan 0.000 0.449 323 E N 3.141 123.159 120.200 -0.304 0.000 2.209 323 E HA -0.212 4.144 4.350 0.010 0.000 0.196 323 E C 1.547 178.124 176.600 -0.039 0.000 0.993 323 E CA 1.466 57.802 56.400 -0.106 0.000 0.819 323 E CB 0.011 29.716 29.700 0.009 0.000 0.745 323 E HN 0.823 nan 8.360 nan 0.000 0.477 324 W N -0.154 121.195 121.300 0.081 0.000 2.678 324 W HA 0.016 4.682 4.660 0.010 0.000 0.256 324 W C 1.460 178.033 176.519 0.089 0.000 1.280 324 W CA -0.254 57.129 57.345 0.064 0.000 1.345 324 W CB -0.849 28.628 29.460 0.027 0.000 1.118 324 W HN -0.055 nan 8.180 nan 0.000 0.629 325 F N 2.995 122.731 119.950 -0.356 0.000 2.161 325 F HA -0.147 4.386 4.527 0.009 0.000 0.300 325 F C 2.686 178.513 175.800 0.044 0.000 1.089 325 F CA 2.968 60.865 58.000 -0.172 0.000 1.282 325 F CB -0.485 38.278 39.000 -0.395 0.000 1.010 325 F HN -0.079 nan 8.300 nan 0.000 0.485 326 A N 0.064 123.021 122.820 0.229 0.000 1.978 326 A HA -0.116 4.210 4.320 0.010 0.000 0.220 326 A C 2.314 179.959 177.584 0.100 0.000 1.170 326 A CA 1.538 53.677 52.037 0.170 0.000 0.636 326 A CB -1.424 17.654 19.000 0.130 0.000 0.810 326 A HN 0.448 nan 8.150 nan 0.000 0.448 327 A N -0.822 122.066 122.820 0.113 0.000 2.070 327 A HA 0.039 4.365 4.320 0.010 0.000 0.220 327 A C 1.768 179.386 177.584 0.057 0.000 1.159 327 A CA 1.348 53.441 52.037 0.094 0.000 0.656 327 A CB -0.404 18.673 19.000 0.129 0.000 0.800 327 A HN 0.376 nan 8.150 nan 0.000 0.453 328 L N -0.815 120.415 121.223 0.011 0.000 2.353 328 L HA 0.041 4.387 4.340 0.010 0.000 0.220 328 L C 1.879 178.756 176.870 0.012 0.000 1.133 328 L CA 1.219 56.039 54.840 -0.034 0.000 0.798 328 L CB -1.463 40.471 42.059 -0.210 0.000 0.922 328 L HN 0.677 nan 8.230 nan 0.000 0.445 329 G N -0.425 108.384 108.800 0.015 0.000 2.221 329 G HA2 -0.282 3.683 3.960 0.010 0.000 0.265 329 G HA3 -0.282 3.683 3.960 0.010 0.000 0.265 329 G C 0.299 175.185 174.900 -0.024 0.000 1.041 329 G CA 0.338 45.452 45.100 0.023 0.000 0.807 329 G HN 0.319 nan 8.290 nan 0.000 0.502 330 L N -0.499 120.687 121.223 -0.063 0.000 2.421 330 L HA 0.861 5.207 4.340 0.010 0.000 0.263 330 L C 1.040 177.713 176.870 -0.329 0.000 1.122 330 L CA -0.823 53.907 54.840 -0.183 0.000 0.804 330 L CB 1.172 43.235 42.059 0.007 0.000 1.150 330 L HN 0.589 nan 8.230 nan 0.000 0.457 331 R N 0.869 120.986 120.500 -0.639 0.000 2.728 331 R HA 0.482 4.828 4.340 0.010 0.000 0.274 331 R C -2.218 174.002 176.300 -0.133 0.000 1.030 331 R CA -1.006 54.873 56.100 -0.369 0.000 0.876 331 R CB 1.708 31.738 30.300 -0.450 0.000 1.259 331 R HN 0.670 nan 8.270 nan 0.000 0.468 332 W N 1.383 122.628 121.300 -0.091 0.000 3.137 332 W HA 0.363 5.029 4.660 0.009 0.000 0.324 332 W C -1.332 175.255 176.519 0.114 0.000 1.253 332 W CA -0.935 56.443 57.345 0.055 0.000 1.183 332 W CB 1.981 31.388 29.460 -0.088 0.000 1.424 332 W HN 0.682 nan 8.180 nan 0.000 0.566 333 Y N 0.951 121.181 120.300 -0.117 0.000 2.307 333 Y HA 0.588 5.143 4.550 0.009 0.000 0.324 333 Y C 0.789 176.931 175.900 0.403 0.000 1.238 333 Y CA -0.053 58.071 58.100 0.041 0.000 1.280 333 Y CB 0.283 38.631 38.460 -0.186 0.000 1.248 333 Y HN 0.351 nan 8.280 nan 0.000 0.508 334 A N 2.232 125.338 122.820 0.476 0.000 1.970 334 A HA 0.032 4.358 4.320 0.010 0.000 0.216 334 A C 0.592 178.548 177.584 0.620 0.000 1.170 334 A CA 0.490 52.861 52.037 0.557 0.000 0.645 334 A CB -0.373 18.790 19.000 0.272 0.000 0.816 334 A HN 0.681 nan 8.150 nan 0.000 0.447 335 L N 1.996 123.528 121.223 0.514 0.000 2.255 335 L HA 0.396 4.741 4.340 0.010 0.000 0.289 335 L C -2.524 174.514 176.870 0.280 0.000 1.046 335 L CA -2.192 52.847 54.840 0.332 0.000 0.816 335 L CB 1.439 43.618 42.059 0.199 0.000 1.197 335 L HN -0.008 nan 8.230 nan 0.000 0.427 336 P HA 0.310 nan 4.420 nan 0.000 0.291 336 P C -1.391 175.828 177.300 -0.134 0.000 1.378 336 P CA -0.339 62.649 63.100 -0.186 0.000 0.853 336 P CB 1.290 32.447 31.700 -0.906 0.000 1.002 337 A N 4.662 127.408 122.820 -0.122 0.000 2.586 337 A HA 0.392 4.718 4.320 0.010 0.000 0.320 337 A C -0.077 177.292 177.584 -0.359 0.000 1.281 337 A CA -0.660 51.231 52.037 -0.242 0.000 0.775 337 A CB 0.590 19.463 19.000 -0.212 0.000 1.122 337 A HN 0.296 nan 8.150 nan 0.000 0.470 338 V N 2.765 122.324 119.914 -0.592 0.000 2.529 338 V HA 0.171 4.297 4.120 0.010 0.000 0.292 338 V C 1.276 176.961 176.094 -0.680 0.000 1.028 338 V CA 1.335 63.250 62.300 -0.642 0.000 1.074 338 V CB 0.906 32.205 31.823 -0.872 0.000 0.958 338 V HN 1.060 nan 8.190 nan 0.000 0.481 339 S N 1.740 117.246 115.700 -0.323 0.000 2.733 339 S HA 0.052 4.528 4.470 0.010 0.000 0.247 339 S C 0.798 175.372 174.600 -0.043 0.000 1.043 339 S CA 0.069 58.160 58.200 -0.183 0.000 1.066 339 S CB -0.354 62.779 63.200 -0.112 0.000 1.045 339 S HN 0.914 nan 8.310 nan 0.000 0.586 340 N N 0.431 119.118 118.700 -0.021 0.000 2.214 340 N HA 0.305 5.051 4.740 0.010 0.000 0.214 340 N C 0.121 175.686 175.510 0.091 0.000 1.132 340 N CA -0.474 52.604 53.050 0.047 0.000 0.856 340 N CB 0.107 38.623 38.487 0.047 0.000 1.020 340 N HN 0.269 nan 8.380 nan 0.000 0.509 341 M N 1.322 120.993 119.600 0.119 0.000 2.359 341 M HA 0.316 4.802 4.480 0.010 0.000 0.322 341 M C -0.578 175.870 176.300 0.248 0.000 1.166 341 M CA -0.788 54.642 55.300 0.216 0.000 1.067 341 M CB 2.285 35.060 32.600 0.293 0.000 1.523 341 M HN 0.132 nan 8.290 nan 0.000 0.467 342 L N 2.873 124.232 121.223 0.228 0.000 2.295 342 L HA 0.501 4.847 4.340 0.010 0.000 0.285 342 L C -1.321 175.674 176.870 0.208 0.000 1.035 342 L CA -0.962 53.995 54.840 0.195 0.000 0.806 342 L CB 1.148 43.270 42.059 0.105 0.000 1.214 342 L HN 0.565 nan 8.230 nan 0.000 0.426 343 L N 5.391 126.735 121.223 0.202 0.000 2.257 343 L HA 0.430 4.776 4.340 0.010 0.000 0.290 343 L C -0.417 176.468 176.870 0.025 0.000 1.044 343 L CA 0.315 55.160 54.840 0.009 0.000 0.810 343 L CB 0.985 43.048 42.059 0.007 0.000 1.193 343 L HN 0.626 nan 8.230 nan 0.000 0.425 344 E N 6.603 126.735 120.200 -0.113 0.000 2.151 344 E HA 0.400 4.755 4.350 0.010 0.000 0.275 344 E C -1.559 174.944 176.600 -0.161 0.000 0.936 344 E CA -0.435 55.911 56.400 -0.090 0.000 0.777 344 E CB 1.104 30.751 29.700 -0.087 0.000 1.108 344 E HN 0.730 nan 8.360 nan 0.000 0.401 345 I N 2.661 123.137 120.570 -0.157 0.000 2.500 345 I HA 0.258 4.434 4.170 0.010 0.000 0.286 345 I C 0.782 176.671 176.117 -0.380 0.000 1.063 345 I CA -0.676 60.400 61.300 -0.374 0.000 1.062 345 I CB 1.997 39.710 38.000 -0.478 0.000 1.223 345 I HN 0.787 nan 8.210 nan 0.000 0.435 346 G N 4.192 112.817 108.800 -0.292 0.000 2.341 346 G HA2 -0.122 3.843 3.960 0.010 0.000 0.292 346 G HA3 -0.122 3.843 3.960 0.010 0.000 0.292 346 G C 1.040 176.017 174.900 0.129 0.000 1.021 346 G CA 0.835 45.970 45.100 0.059 0.000 0.905 346 G HN 1.540 nan 8.290 nan 0.000 0.508 347 G N -1.814 107.000 108.800 0.023 0.000 2.299 347 G HA2 -0.247 3.718 3.960 0.010 0.000 0.237 347 G HA3 -0.247 3.718 3.960 0.010 0.000 0.237 347 G C 0.605 175.462 174.900 -0.071 0.000 1.027 347 G CA 0.389 45.501 45.100 0.021 0.000 0.619 347 G HN 1.289 nan 8.290 nan 0.000 0.513 348 L N 1.090 122.216 121.223 -0.162 0.000 2.439 348 L HA 0.512 4.858 4.340 0.010 0.000 0.269 348 L C 0.368 177.032 176.870 -0.344 0.000 1.179 348 L CA 0.007 54.637 54.840 -0.351 0.000 0.828 348 L CB 0.756 42.494 42.059 -0.535 0.000 1.106 348 L HN 0.242 nan 8.230 nan 0.000 0.467 349 E N 2.609 122.541 120.200 -0.446 0.000 2.185 349 E HA 0.329 4.685 4.350 0.010 0.000 0.261 349 E C -1.441 174.888 176.600 -0.452 0.000 0.879 349 E CA -0.380 55.832 56.400 -0.314 0.000 0.756 349 E CB 1.462 31.062 29.700 -0.166 0.000 1.152 349 E HN 0.268 nan 8.360 nan 0.000 0.416 350 F N 2.195 122.113 119.950 -0.053 0.000 2.309 350 F HA 0.084 4.618 4.527 0.011 0.000 0.366 350 F C 1.614 177.448 175.800 0.056 0.000 1.104 350 F CA -0.429 57.566 58.000 -0.007 0.000 1.179 350 F CB 0.922 39.902 39.000 -0.033 0.000 1.437 350 F HN 0.434 nan 8.300 nan 0.000 0.528 351 S N 1.370 117.163 115.700 0.156 0.000 2.474 351 S HA 0.113 4.589 4.470 0.010 0.000 0.235 351 S C 0.872 175.596 174.600 0.206 0.000 0.997 351 S CA 0.408 58.699 58.200 0.152 0.000 0.949 351 S CB -0.009 63.257 63.200 0.109 0.000 0.766 351 S HN 0.478 nan 8.310 nan 0.000 0.517 352 A N 0.490 123.477 122.820 0.279 0.000 2.409 352 A HA 0.830 5.155 4.320 0.010 0.000 0.300 352 A C -0.161 177.671 177.584 0.413 0.000 1.273 352 A CA -0.187 52.044 52.037 0.322 0.000 0.774 352 A CB 0.886 20.064 19.000 0.296 0.000 1.144 352 A HN 1.015 nan 8.150 nan 0.000 0.472 353 A N 4.182 127.192 122.820 0.318 0.000 3.399 353 A HA 0.618 4.943 4.320 0.010 0.000 0.262 353 A C -3.017 174.699 177.584 0.220 0.000 1.145 353 A CA -0.896 51.288 52.037 0.245 0.000 0.916 353 A CB 0.389 19.534 19.000 0.241 0.000 1.360 353 A HN 0.516 nan 8.150 nan 0.000 0.628 354 P HA 0.404 nan 4.420 nan 0.000 0.268 354 P C -0.745 176.540 177.300 -0.025 0.000 1.204 354 P CA 0.470 63.512 63.100 -0.097 0.000 0.768 354 P CB 0.279 31.892 31.700 -0.144 0.000 0.842 355 F N -0.207 119.682 119.950 -0.102 0.000 2.603 355 F HA 0.792 5.324 4.527 0.008 0.000 0.317 355 F C -0.615 175.099 175.800 -0.143 0.000 1.066 355 F CA -1.272 56.667 58.000 -0.102 0.000 0.941 355 F CB 1.605 40.416 39.000 -0.316 0.000 1.291 355 F HN 0.420 nan 8.300 nan 0.000 0.472 356 S N 0.077 115.872 115.700 0.159 0.000 2.550 356 S HA 0.925 5.400 4.470 0.010 0.000 0.270 356 S C -0.772 173.780 174.600 -0.079 0.000 1.145 356 S CA -0.173 58.051 58.200 0.040 0.000 0.852 356 S CB 1.439 64.735 63.200 0.160 0.000 1.119 356 S HN 1.479 nan 8.310 nan 0.000 0.465 357 G N 0.057 108.763 108.800 -0.158 0.000 3.382 357 G HA2 0.752 4.717 3.960 0.010 0.000 0.183 357 G HA3 0.752 4.717 3.960 0.010 0.000 0.183 357 G C -1.466 173.417 174.900 -0.028 0.000 1.246 357 G CA -0.275 44.649 45.100 -0.293 0.000 0.828 357 G HN 1.167 nan 8.290 nan 0.000 0.728 358 W N -1.608 119.698 121.300 0.011 0.000 3.062 358 W HA 0.799 5.464 4.660 0.008 0.000 0.336 358 W C -1.764 174.762 176.519 0.012 0.000 1.224 358 W CA -2.160 55.210 57.345 0.042 0.000 1.159 358 W CB 0.422 29.948 29.460 0.110 0.000 1.454 358 W HN 0.388 nan 8.180 nan 0.000 0.569 359 Y N 2.888 123.382 120.300 0.322 0.000 2.397 359 Y HA 0.274 4.830 4.550 0.010 0.000 0.335 359 Y C 0.940 176.904 175.900 0.108 0.000 1.213 359 Y CA -0.490 57.683 58.100 0.122 0.000 1.391 359 Y CB 0.941 39.381 38.460 -0.034 0.000 1.293 359 Y HN 0.256 nan 8.280 nan 0.000 0.557 360 M N 2.988 122.746 119.600 0.264 0.000 2.180 360 M HA 0.135 4.621 4.480 0.010 0.000 0.350 360 M C 1.121 177.437 176.300 0.027 0.000 1.125 360 M CA -0.196 55.188 55.300 0.140 0.000 1.031 360 M CB 1.497 34.155 32.600 0.097 0.000 1.623 360 M HN 0.900 nan 8.290 nan 0.000 0.451 361 S N 2.617 118.286 115.700 -0.052 0.000 2.392 361 S HA -0.180 4.295 4.470 0.010 0.000 0.232 361 S C 1.436 175.913 174.600 -0.205 0.000 1.041 361 S CA 2.255 60.346 58.200 -0.182 0.000 1.026 361 S CB -1.204 61.918 63.200 -0.131 0.000 0.845 361 S HN 0.869 nan 8.310 nan 0.000 0.465 362 T N -0.286 114.180 114.554 -0.147 0.000 2.962 362 T HA 0.015 4.371 4.350 0.010 0.000 0.270 362 T C 1.539 176.101 174.700 -0.229 0.000 1.088 362 T CA 1.135 63.102 62.100 -0.222 0.000 1.127 362 T CB -0.541 68.156 68.868 -0.286 0.000 0.883 362 T HN 0.599 nan 8.240 nan 0.000 0.493 363 E N 0.850 120.937 120.200 -0.188 0.000 2.077 363 E HA -0.040 4.316 4.350 0.010 0.000 0.193 363 E C 2.027 178.393 176.600 -0.391 0.000 0.989 363 E CA 1.388 57.686 56.400 -0.171 0.000 0.800 363 E CB -0.243 29.490 29.700 0.054 0.000 0.746 363 E HN 0.599 nan 8.360 nan 0.000 0.452 364 I N 0.064 120.270 120.570 -0.607 0.000 2.270 364 I HA -0.054 4.122 4.170 0.010 0.000 0.239 364 I C 2.592 178.358 176.117 -0.585 0.000 1.080 364 I CA 0.904 61.660 61.300 -0.906 0.000 1.383 364 I CB -0.526 36.827 38.000 -1.078 0.000 1.097 364 I HN 0.106 nan 8.210 nan 0.000 0.420 365 G N 0.180 108.742 108.800 -0.398 0.000 2.432 365 G HA2 -0.167 3.799 3.960 0.010 0.000 0.219 365 G HA3 -0.167 3.799 3.960 0.010 0.000 0.219 365 G C 1.606 176.393 174.900 -0.188 0.000 1.135 365 G CA 1.528 46.485 45.100 -0.239 0.000 0.767 365 G HN 0.302 nan 8.290 nan 0.000 0.550 366 T N -0.201 114.222 114.554 -0.218 0.000 3.053 366 T HA 0.111 4.467 4.350 0.010 0.000 0.236 366 T C 2.517 177.111 174.700 -0.176 0.000 0.996 366 T CA 0.187 62.179 62.100 -0.181 0.000 1.185 366 T CB 0.098 68.844 68.868 -0.205 0.000 0.892 366 T HN 0.005 nan 8.240 nan 0.000 0.432 367 R N 2.116 122.493 120.500 -0.204 0.000 2.056 367 R HA 0.136 4.481 4.340 0.010 0.000 0.227 367 R C 2.191 178.378 176.300 -0.189 0.000 1.149 367 R CA 1.140 57.129 56.100 -0.185 0.000 0.937 367 R CB -1.282 28.916 30.300 -0.169 0.000 0.835 367 R HN 0.311 nan 8.270 nan 0.000 0.430 368 N N 1.040 119.583 118.700 -0.260 0.000 2.104 368 N HA -0.108 4.638 4.740 0.010 0.000 0.190 368 N C 1.971 177.408 175.510 -0.122 0.000 1.024 368 N CA 1.145 54.039 53.050 -0.260 0.000 0.853 368 N CB -0.292 37.731 38.487 -0.772 0.000 1.008 368 N HN 0.191 nan 8.380 nan 0.000 0.424 369 L N -0.836 120.263 121.223 -0.208 0.000 2.249 369 L HA 0.058 4.403 4.340 0.010 0.000 0.207 369 L C 1.355 178.250 176.870 0.042 0.000 1.090 369 L CA 0.491 55.306 54.840 -0.041 0.000 0.802 369 L CB 0.135 42.142 42.059 -0.087 0.000 0.947 369 L HN 0.176 nan 8.230 nan 0.000 0.453 370 C N -1.596 117.688 119.300 -0.027 0.000 3.070 370 C HA 0.181 4.647 4.460 0.010 0.000 0.280 370 C C 0.705 175.673 174.990 -0.036 0.000 1.264 370 C CA -0.964 58.049 59.018 -0.008 0.000 1.690 370 C CB -0.358 27.366 27.740 -0.026 0.000 2.049 370 C HN 0.293 nan 8.230 nan 0.000 0.636 371 D N 2.445 122.787 120.400 -0.097 0.000 2.449 371 D HA 0.069 4.715 4.640 0.010 0.000 0.236 371 D C -1.410 174.835 176.300 -0.091 0.000 1.149 371 D CA -1.065 52.841 54.000 -0.157 0.000 0.878 371 D CB 0.633 41.171 40.800 -0.436 0.000 1.198 371 D HN 0.119 nan 8.370 nan 0.000 0.446 372 P HA -0.131 nan 4.420 nan 0.000 0.217 372 P C 0.754 178.120 177.300 0.109 0.000 1.150 372 P CA 1.247 64.404 63.100 0.096 0.000 0.832 372 P CB -0.007 31.779 31.700 0.143 0.000 0.787 373 H N -2.647 116.433 119.070 0.017 0.000 2.524 373 H HA 0.325 4.887 4.556 0.010 0.000 0.280 373 H C 0.936 176.273 175.328 0.014 0.000 1.018 373 H CA 0.018 56.074 56.048 0.012 0.000 1.165 373 H CB -0.036 29.733 29.762 0.012 0.000 1.411 373 H HN -0.012 nan 8.280 nan 0.000 0.569 374 R N -0.073 120.314 120.500 -0.190 0.000 2.769 374 R HA 0.171 4.517 4.340 0.010 0.000 0.117 374 R C 1.167 177.436 176.300 -0.052 0.000 1.152 374 R CA -0.693 55.343 56.100 -0.106 0.000 0.887 374 R CB -0.882 29.366 30.300 -0.087 0.000 1.099 374 R HN 0.099 nan 8.270 nan 0.000 0.398 375 Y N 1.688 121.999 120.300 0.020 0.000 2.497 375 Y HA -0.037 4.519 4.550 0.010 0.000 0.292 375 Y C 0.748 176.670 175.900 0.037 0.000 1.137 375 Y CA 1.234 59.363 58.100 0.049 0.000 1.285 375 Y CB -0.348 38.181 38.460 0.115 0.000 0.991 375 Y HN 0.551 nan 8.280 nan 0.000 0.556 376 N N 0.907 119.688 118.700 0.136 0.000 2.705 376 N HA -0.230 4.516 4.740 0.010 0.000 0.255 376 N C 0.568 176.157 175.510 0.132 0.000 1.008 376 N CA 0.341 53.452 53.050 0.101 0.000 0.742 376 N CB -0.994 37.535 38.487 0.071 0.000 0.906 376 N HN 0.627 nan 8.380 nan 0.000 0.541 377 I N -3.273 117.390 120.570 0.155 0.000 3.793 377 I HA 0.002 4.178 4.170 0.010 0.000 0.315 377 I C 1.792 178.007 176.117 0.164 0.000 1.275 377 I CA -0.375 61.018 61.300 0.155 0.000 1.214 377 I CB -0.024 38.073 38.000 0.163 0.000 1.018 377 I HN 0.102 nan 8.210 nan 0.000 0.439 378 L N 1.922 123.247 121.223 0.171 0.000 1.997 378 L HA -0.274 4.071 4.340 0.010 0.000 0.216 378 L C 2.635 179.719 176.870 0.356 0.000 1.074 378 L CA 2.292 57.268 54.840 0.227 0.000 0.763 378 L CB -1.063 41.093 42.059 0.162 0.000 0.890 378 L HN 0.529 nan 8.230 nan 0.000 0.434 379 E N -1.155 119.260 120.200 0.357 0.000 2.077 379 E HA -0.226 4.130 4.350 0.010 0.000 0.193 379 E C 1.731 178.380 176.600 0.082 0.000 0.989 379 E CA 1.294 57.834 56.400 0.233 0.000 0.800 379 E CB 0.034 29.807 29.700 0.121 0.000 0.746 379 E HN 0.520 nan 8.360 nan 0.000 0.452 380 D N 0.043 120.493 120.400 0.085 0.000 2.117 380 D HA -0.147 4.499 4.640 0.010 0.000 0.197 380 D C 2.063 178.380 176.300 0.028 0.000 0.987 380 D CA 1.087 55.105 54.000 0.030 0.000 0.829 380 D CB -0.138 40.686 40.800 0.040 0.000 0.961 380 D HN 0.142 nan 8.370 nan 0.000 0.460 381 V N 1.489 121.472 119.914 0.116 0.000 2.427 381 V HA -0.170 3.955 4.120 0.010 0.000 0.248 381 V C 2.547 178.743 176.094 0.169 0.000 1.051 381 V CA 1.546 63.962 62.300 0.193 0.000 1.048 381 V CB -0.677 31.339 31.823 0.321 0.000 0.666 381 V HN 0.158 nan 8.190 nan 0.000 0.456 382 A N -0.115 122.815 122.820 0.184 0.000 1.902 382 A HA -0.160 4.166 4.320 0.010 0.000 0.217 382 A C 2.403 179.980 177.584 -0.012 0.000 1.181 382 A CA 2.037 54.175 52.037 0.168 0.000 0.623 382 A CB -0.675 18.514 19.000 0.314 0.000 0.818 382 A HN 0.324 nan 8.150 nan 0.000 0.443 383 V N -0.761 119.098 119.914 -0.092 0.000 2.343 383 V HA -0.332 3.794 4.120 0.010 0.000 0.247 383 V C 2.633 178.590 176.094 -0.228 0.000 1.051 383 V CA 2.109 64.311 62.300 -0.164 0.000 1.036 383 V CB -1.023 30.704 31.823 -0.160 0.000 0.654 383 V HN 0.718 nan 8.190 nan 0.000 0.451 384 C N -0.502 118.606 119.300 -0.320 0.000 2.422 384 C HA -0.127 4.339 4.460 0.010 0.000 0.279 384 C C 2.590 177.180 174.990 -0.667 0.000 1.305 384 C CA 0.950 59.544 59.018 -0.707 0.000 1.757 384 C CB -1.038 25.988 27.740 -1.189 0.000 1.962 384 C HN 0.532 nan 8.230 nan 0.000 0.499 385 M N -0.029 119.434 119.600 -0.230 0.000 2.618 385 M HA 0.048 4.534 4.480 0.010 0.000 0.240 385 M C 0.398 176.685 176.300 -0.021 0.000 1.123 385 M CA 0.736 56.050 55.300 0.024 0.000 1.060 385 M CB -0.335 32.382 32.600 0.195 0.000 1.535 385 M HN 0.188 nan 8.290 nan 0.000 0.507 386 D N 1.645 121.984 120.400 -0.102 0.000 2.699 386 D HA -0.146 4.500 4.640 0.010 0.000 0.239 386 D C -0.970 175.304 176.300 -0.043 0.000 1.136 386 D CA 0.531 54.479 54.000 -0.087 0.000 0.668 386 D CB -0.871 39.883 40.800 -0.076 0.000 1.060 386 D HN 0.299 nan 8.370 nan 0.000 0.429 387 L N -0.309 120.894 121.223 -0.034 0.000 2.387 387 L HA 0.419 4.765 4.340 0.010 0.000 0.266 387 L C 0.923 177.741 176.870 -0.086 0.000 1.059 387 L CA -0.915 53.927 54.840 0.003 0.000 0.801 387 L CB 0.750 42.877 42.059 0.113 0.000 1.223 387 L HN -0.059 nan 8.230 nan 0.000 0.456 388 D N 0.444 120.812 120.400 -0.053 0.000 2.453 388 D HA 0.027 4.673 4.640 0.010 0.000 0.223 388 D C 0.996 177.100 176.300 -0.326 0.000 1.183 388 D CA -0.185 53.740 54.000 -0.125 0.000 0.933 388 D CB 0.722 41.505 40.800 -0.027 0.000 1.038 388 D HN 0.592 nan 8.370 nan 0.000 0.513 389 T N 0.555 114.710 114.554 -0.665 0.000 3.194 389 T HA 0.071 4.426 4.350 0.010 0.000 0.251 389 T C 1.370 175.682 174.700 -0.647 0.000 1.132 389 T CA 0.085 61.323 62.100 -1.436 0.000 1.028 389 T CB -0.029 67.931 68.868 -1.513 0.000 0.976 389 T HN 0.202 nan 8.240 nan 0.000 0.535 390 R N 0.366 120.690 120.500 -0.292 0.000 2.300 390 R HA 0.275 4.621 4.340 0.010 0.000 0.199 390 R C 0.606 176.913 176.300 0.012 0.000 0.920 390 R CA 0.248 56.283 56.100 -0.109 0.000 1.046 390 R CB 0.443 30.691 30.300 -0.087 0.000 0.984 390 R HN 0.343 nan 8.270 nan 0.000 0.493 391 T N -1.299 113.306 114.554 0.085 0.000 2.993 391 T HA 0.086 4.441 4.350 0.010 0.000 0.312 391 T C 1.067 175.937 174.700 0.283 0.000 1.115 391 T CA -0.501 61.692 62.100 0.154 0.000 1.027 391 T CB 1.537 70.459 68.868 0.091 0.000 1.116 391 T HN 0.204 nan 8.240 nan 0.000 0.464 392 T N 1.180 115.865 114.554 0.217 0.000 2.746 392 T HA -0.128 4.228 4.350 0.010 0.000 0.267 392 T C 2.139 176.903 174.700 0.106 0.000 1.039 392 T CA 1.925 64.119 62.100 0.156 0.000 1.142 392 T CB -0.807 68.105 68.868 0.073 0.000 0.866 392 T HN 0.745 nan 8.240 nan 0.000 0.444 393 S N 2.151 117.907 115.700 0.094 0.000 2.537 393 S HA -0.092 4.384 4.470 0.010 0.000 0.240 393 S C 2.140 176.791 174.600 0.084 0.000 0.981 393 S CA 0.973 59.213 58.200 0.067 0.000 0.948 393 S CB -0.954 62.278 63.200 0.053 0.000 0.759 393 S HN 0.814 nan 8.310 nan 0.000 0.531 394 S N 1.670 117.455 115.700 0.142 0.000 2.489 394 S HA 0.209 4.685 4.470 0.010 0.000 0.228 394 S C 0.984 175.670 174.600 0.143 0.000 0.995 394 S CA 0.301 58.593 58.200 0.153 0.000 0.934 394 S CB -0.937 62.389 63.200 0.211 0.000 0.771 394 S HN 0.629 nan 8.310 nan 0.000 0.522 395 L N 0.899 122.181 121.223 0.099 0.000 3.717 395 L HA -0.165 4.181 4.340 0.010 0.000 0.411 395 L C 1.583 178.471 176.870 0.030 0.000 1.233 395 L CA 0.646 55.485 54.840 -0.002 0.000 0.917 395 L CB -2.467 39.596 42.059 0.007 0.000 1.902 395 L HN 0.738 nan 8.230 nan 0.000 0.894 396 W N -0.005 121.308 121.300 0.021 0.000 2.363 396 W HA -0.143 4.522 4.660 0.010 0.000 0.296 396 W C 1.723 178.261 176.519 0.033 0.000 1.212 396 W CA 1.340 58.701 57.345 0.027 0.000 1.260 396 W CB -0.706 28.766 29.460 0.021 0.000 1.131 396 W HN 0.279 nan 8.180 nan 0.000 0.530 397 K N 1.055 121.042 120.400 -0.688 0.000 2.026 397 K HA -0.160 4.165 4.320 0.010 0.000 0.208 397 K C 1.552 178.017 176.600 -0.227 0.000 1.048 397 K CA 2.338 58.249 56.287 -0.627 0.000 0.929 397 K CB -0.370 31.594 32.500 -0.894 0.000 0.713 397 K HN 0.029 nan 8.250 nan 0.000 0.439 398 D N 0.749 121.036 120.400 -0.188 0.000 2.097 398 D HA -0.137 4.509 4.640 0.010 0.000 0.195 398 D C 1.695 177.986 176.300 -0.014 0.000 0.989 398 D CA 1.279 55.225 54.000 -0.089 0.000 0.827 398 D CB 0.005 40.761 40.800 -0.073 0.000 0.966 398 D HN 0.122 nan 8.370 nan 0.000 0.456 399 K N 0.471 120.890 120.400 0.031 0.000 2.026 399 K HA -0.044 4.282 4.320 0.010 0.000 0.208 399 K C 2.230 178.897 176.600 0.111 0.000 1.048 399 K CA 1.197 57.533 56.287 0.081 0.000 0.929 399 K CB -0.196 32.374 32.500 0.117 0.000 0.713 399 K HN 0.093 nan 8.250 nan 0.000 0.439 400 A N 1.560 124.467 122.820 0.145 0.000 1.902 400 A HA -0.124 4.201 4.320 0.010 0.000 0.217 400 A C 2.393 180.062 177.584 0.141 0.000 1.181 400 A CA 1.865 54.016 52.037 0.191 0.000 0.623 400 A CB -0.760 18.392 19.000 0.253 0.000 0.818 400 A HN 0.343 nan 8.150 nan 0.000 0.443 401 A N -0.545 122.315 122.820 0.066 0.000 1.908 401 A HA -0.042 4.283 4.320 0.010 0.000 0.218 401 A C 2.246 179.842 177.584 0.019 0.000 1.181 401 A CA 1.885 53.935 52.037 0.021 0.000 0.627 401 A CB -1.000 17.974 19.000 -0.044 0.000 0.818 401 A HN 0.397 nan 8.150 nan 0.000 0.445 402 V N 0.354 120.285 119.914 0.030 0.000 2.287 402 V HA -0.228 3.897 4.120 0.010 0.000 0.248 402 V C 2.571 178.694 176.094 0.048 0.000 1.053 402 V CA 2.225 64.547 62.300 0.036 0.000 1.027 402 V CB -0.705 31.148 31.823 0.050 0.000 0.646 402 V HN 0.536 nan 8.190 nan 0.000 0.447 403 E N -0.191 120.063 120.200 0.091 0.000 2.150 403 E HA -0.121 4.234 4.350 0.010 0.000 0.193 403 E C 2.095 178.715 176.600 0.033 0.000 0.985 403 E CA 1.134 57.609 56.400 0.125 0.000 0.814 403 E CB -0.285 29.509 29.700 0.155 0.000 0.752 403 E HN 0.597 nan 8.360 nan 0.000 0.466 404 I N 1.423 122.040 120.570 0.077 0.000 2.252 404 I HA -0.231 3.945 4.170 0.010 0.000 0.245 404 I C 2.141 178.228 176.117 -0.050 0.000 1.102 404 I CA 0.754 62.097 61.300 0.071 0.000 1.385 404 I CB -0.282 37.828 38.000 0.184 0.000 1.064 404 I HN 0.065 nan 8.210 nan 0.000 0.414 405 N N 0.776 119.447 118.700 -0.047 0.000 2.142 405 N HA -0.170 4.576 4.740 0.010 0.000 0.186 405 N C 1.932 177.389 175.510 -0.087 0.000 1.023 405 N CA 1.189 54.194 53.050 -0.075 0.000 0.852 405 N CB -0.153 38.303 38.487 -0.052 0.000 0.998 405 N HN 0.197 nan 8.380 nan 0.000 0.424 406 L N 1.633 122.796 121.223 -0.100 0.000 2.046 406 L HA -0.064 4.282 4.340 0.010 0.000 0.208 406 L C 2.269 178.990 176.870 -0.248 0.000 1.077 406 L CA 1.480 56.221 54.840 -0.164 0.000 0.747 406 L CB -0.843 41.087 42.059 -0.216 0.000 0.896 406 L HN 0.060 nan 8.230 nan 0.000 0.432 407 A N -1.109 121.498 122.820 -0.354 0.000 1.908 407 A HA -0.181 4.145 4.320 0.010 0.000 0.218 407 A C 2.281 179.786 177.584 -0.131 0.000 1.181 407 A CA 2.161 53.952 52.037 -0.409 0.000 0.627 407 A CB -1.173 17.288 19.000 -0.899 0.000 0.818 407 A HN 0.315 nan 8.150 nan 0.000 0.445 408 V N -0.014 119.843 119.914 -0.095 0.000 2.261 408 V HA -0.278 3.848 4.120 0.010 0.000 0.246 408 V C 2.595 178.702 176.094 0.021 0.000 1.047 408 V CA 2.085 64.376 62.300 -0.015 0.000 1.015 408 V CB -0.795 30.938 31.823 -0.150 0.000 0.642 408 V HN 0.577 nan 8.190 nan 0.000 0.446 409 L N -0.559 120.637 121.223 -0.046 0.000 2.017 409 L HA -0.237 4.109 4.340 0.010 0.000 0.208 409 L C 2.630 179.527 176.870 0.046 0.000 1.073 409 L CA 2.226 57.057 54.840 -0.015 0.000 0.745 409 L CB -0.859 41.183 42.059 -0.029 0.000 0.894 409 L HN 0.484 nan 8.230 nan 0.000 0.432 410 H N -0.258 118.765 119.070 -0.078 0.000 2.319 410 H HA -0.155 4.407 4.556 0.010 0.000 0.299 410 H C 2.326 177.640 175.328 -0.023 0.000 1.092 410 H CA 2.035 58.030 56.048 -0.088 0.000 1.302 410 H CB -0.043 29.602 29.762 -0.196 0.000 1.373 410 H HN 0.166 nan 8.280 nan 0.000 0.497 411 S N -0.469 115.160 115.700 -0.120 0.000 2.356 411 S HA -0.115 4.360 4.470 0.010 0.000 0.223 411 S C 2.044 176.605 174.600 -0.065 0.000 1.032 411 S CA 1.269 59.388 58.200 -0.136 0.000 1.005 411 S CB -0.540 62.679 63.200 0.033 0.000 0.867 411 S HN 0.394 nan 8.310 nan 0.000 0.449 412 F N 1.897 121.782 119.950 -0.108 0.000 2.171 412 F HA -0.135 4.397 4.527 0.009 0.000 0.300 412 F C 2.790 178.537 175.800 -0.088 0.000 1.090 412 F CA 1.102 59.064 58.000 -0.063 0.000 1.293 412 F CB -0.280 38.708 39.000 -0.020 0.000 1.013 412 F HN 0.207 nan 8.300 nan 0.000 0.486 413 Q N -0.014 119.823 119.800 0.062 0.000 2.119 413 Q HA -0.198 4.147 4.340 0.010 0.000 0.201 413 Q C 2.333 178.279 176.000 -0.090 0.000 0.972 413 Q CA 1.230 57.023 55.803 -0.018 0.000 0.847 413 Q CB -0.252 28.470 28.738 -0.025 0.000 0.903 413 Q HN 0.486 nan 8.270 nan 0.000 0.433 414 L N -0.047 121.064 121.223 -0.186 0.000 2.056 414 L HA -0.103 4.243 4.340 0.010 0.000 0.207 414 L C 1.887 178.674 176.870 -0.138 0.000 1.078 414 L CA 1.023 55.741 54.840 -0.203 0.000 0.749 414 L CB -0.196 41.658 42.059 -0.341 0.000 0.901 414 L HN 0.180 nan 8.230 nan 0.000 0.433 415 A N -1.229 121.503 122.820 -0.147 0.000 2.238 415 A HA -0.027 4.298 4.320 0.010 0.000 0.208 415 A C 0.615 178.137 177.584 -0.103 0.000 1.177 415 A CA -0.027 51.928 52.037 -0.136 0.000 0.804 415 A CB -0.055 18.825 19.000 -0.199 0.000 0.823 415 A HN 0.400 nan 8.150 nan 0.000 0.482 416 K N -1.022 119.332 120.400 -0.077 0.000 3.150 416 K HA -0.126 4.200 4.320 0.010 0.000 0.267 416 K C -0.634 175.943 176.600 -0.039 0.000 1.028 416 K CA 0.752 57.008 56.287 -0.052 0.000 0.753 416 K CB -2.773 29.696 32.500 -0.051 0.000 1.288 416 K HN 0.297 nan 8.250 nan 0.000 0.473 417 V N 1.054 120.959 119.914 -0.015 0.000 2.448 417 V HA 0.211 4.337 4.120 0.010 0.000 0.295 417 V C 0.798 176.993 176.094 0.168 0.000 1.025 417 V CA -0.772 61.555 62.300 0.045 0.000 0.859 417 V CB 2.045 33.824 31.823 -0.074 0.000 0.988 417 V HN 0.335 nan 8.190 nan 0.000 0.431 418 T N 6.303 120.912 114.554 0.093 0.000 2.933 418 T HA 0.411 4.767 4.350 0.010 0.000 0.306 418 T C -0.218 174.561 174.700 0.132 0.000 1.045 418 T CA 0.850 62.935 62.100 -0.024 0.000 1.143 418 T CB 0.173 68.893 68.868 -0.246 0.000 1.003 418 T HN 0.602 nan 8.240 nan 0.000 0.540 419 I N 1.792 122.366 120.570 0.007 0.000 2.842 419 I HA 0.545 4.721 4.170 0.010 0.000 0.296 419 I C -1.777 174.362 176.117 0.036 0.000 1.538 419 I CA -0.902 60.438 61.300 0.066 0.000 0.994 419 I CB 1.784 39.743 38.000 -0.068 0.000 1.372 419 I HN 0.467 nan 8.210 nan 0.000 0.478 420 V N 5.124 125.112 119.914 0.124 0.000 2.577 420 V HA 0.471 4.597 4.120 0.010 0.000 0.303 420 V C -1.106 175.032 176.094 0.073 0.000 1.042 420 V CA -0.258 62.112 62.300 0.118 0.000 0.872 420 V CB 2.122 34.095 31.823 0.250 0.000 0.998 420 V HN 0.866 nan 8.190 nan 0.000 0.423 421 D N 4.287 124.704 120.400 0.028 0.000 2.360 421 D HA 0.135 4.781 4.640 0.010 0.000 0.242 421 D C 1.322 177.599 176.300 -0.037 0.000 1.184 421 D CA 0.274 54.268 54.000 -0.011 0.000 0.930 421 D CB 0.438 41.197 40.800 -0.067 0.000 1.161 421 D HN 0.740 nan 8.370 nan 0.000 0.447 422 H N -0.057 118.935 119.070 -0.130 0.000 2.489 422 H HA -0.141 4.421 4.556 0.009 0.000 0.293 422 H C 0.962 176.178 175.328 -0.187 0.000 1.066 422 H CA 1.290 57.227 56.048 -0.185 0.000 1.305 422 H CB -0.535 29.061 29.762 -0.276 0.000 1.386 422 H HN 0.522 nan 8.280 nan 0.000 0.551 423 H N 1.226 120.103 119.070 -0.323 0.000 2.307 423 H HA 0.144 4.706 4.556 0.009 0.000 0.303 423 H C 2.562 177.868 175.328 -0.036 0.000 1.073 423 H CA 1.331 57.285 56.048 -0.157 0.000 1.338 423 H CB -0.368 29.269 29.762 -0.208 0.000 1.389 423 H HN 0.494 nan 8.280 nan 0.000 0.503 424 A N 1.468 124.338 122.820 0.084 0.000 1.908 424 A HA -0.125 4.201 4.320 0.010 0.000 0.218 424 A C 2.695 180.346 177.584 0.112 0.000 1.181 424 A CA 1.917 54.007 52.037 0.088 0.000 0.627 424 A CB -0.862 18.179 19.000 0.069 0.000 0.818 424 A HN 0.442 nan 8.150 nan 0.000 0.445 425 A N -0.265 122.620 122.820 0.108 0.000 1.877 425 A HA -0.116 4.210 4.320 0.010 0.000 0.216 425 A C 2.460 180.140 177.584 0.160 0.000 1.186 425 A CA 2.632 54.753 52.037 0.140 0.000 0.620 425 A CB -1.435 17.634 19.000 0.116 0.000 0.822 425 A HN 0.780 nan 8.150 nan 0.000 0.443 426 T N -2.796 111.837 114.554 0.131 0.000 2.867 426 T HA -0.066 4.289 4.350 0.010 0.000 0.268 426 T C 1.684 176.514 174.700 0.217 0.000 1.057 426 T CA 1.342 63.544 62.100 0.170 0.000 1.136 426 T CB -0.674 68.264 68.868 0.116 0.000 0.874 426 T HN 0.045 nan 8.240 nan 0.000 0.466 427 V N 2.767 122.783 119.914 0.170 0.000 2.343 427 V HA -0.162 3.964 4.120 0.010 0.000 0.247 427 V C 3.210 179.395 176.094 0.152 0.000 1.051 427 V CA 2.085 64.474 62.300 0.150 0.000 1.036 427 V CB -0.853 31.040 31.823 0.116 0.000 0.654 427 V HN 0.805 nan 8.190 nan 0.000 0.451 428 S N -0.389 115.411 115.700 0.166 0.000 2.402 428 S HA -0.198 4.277 4.470 0.010 0.000 0.229 428 S C 1.949 176.672 174.600 0.205 0.000 1.021 428 S CA 1.397 59.696 58.200 0.164 0.000 0.974 428 S CB -0.681 62.621 63.200 0.170 0.000 0.800 428 S HN 0.516 nan 8.310 nan 0.000 0.484 429 F N 1.924 121.938 119.950 0.106 0.000 2.259 429 F HA 0.172 4.705 4.527 0.009 0.000 0.298 429 F C 2.178 178.066 175.800 0.146 0.000 1.088 429 F CA 0.944 59.020 58.000 0.128 0.000 1.358 429 F CB -0.279 38.776 39.000 0.092 0.000 1.040 429 F HN 0.111 nan 8.300 nan 0.000 0.505 430 M N 0.052 119.732 119.600 0.133 0.000 2.175 430 M HA -0.151 4.335 4.480 0.010 0.000 0.264 430 M C 2.200 178.480 176.300 -0.034 0.000 1.063 430 M CA 1.403 56.727 55.300 0.040 0.000 1.119 430 M CB -1.147 31.519 32.600 0.111 0.000 1.377 430 M HN 0.057 nan 8.290 nan 0.000 0.415 431 K N -0.248 120.160 120.400 0.014 0.000 2.057 431 K HA -0.201 4.125 4.320 0.010 0.000 0.207 431 K C 1.976 178.556 176.600 -0.033 0.000 1.049 431 K CA 1.750 58.040 56.287 0.005 0.000 0.931 431 K CB -0.659 31.867 32.500 0.043 0.000 0.714 431 K HN 0.358 nan 8.250 nan 0.000 0.440 432 H N 0.150 119.130 119.070 -0.150 0.000 2.319 432 H HA -0.038 4.524 4.556 0.009 0.000 0.299 432 H C 1.710 176.874 175.328 -0.273 0.000 1.092 432 H CA 2.293 58.222 56.048 -0.199 0.000 1.302 432 H CB -0.241 29.357 29.762 -0.273 0.000 1.373 432 H HN 0.180 nan 8.280 nan 0.000 0.497 433 L N -0.228 120.703 121.223 -0.485 0.000 2.042 433 L HA -0.178 4.167 4.340 0.010 0.000 0.210 433 L C 2.346 179.059 176.870 -0.262 0.000 1.076 433 L CA 1.797 56.380 54.840 -0.429 0.000 0.749 433 L CB -0.498 41.373 42.059 -0.313 0.000 0.893 433 L HN 0.386 nan 8.230 nan 0.000 0.432 434 D N -0.057 120.239 120.400 -0.174 0.000 2.117 434 D HA -0.181 4.464 4.640 0.010 0.000 0.197 434 D C 1.903 178.134 176.300 -0.114 0.000 0.987 434 D CA 1.217 55.153 54.000 -0.108 0.000 0.829 434 D CB 0.044 40.807 40.800 -0.061 0.000 0.961 434 D HN 0.161 nan 8.370 nan 0.000 0.460 435 N N 0.549 119.169 118.700 -0.133 0.000 2.084 435 N HA -0.127 4.618 4.740 0.010 0.000 0.190 435 N C 1.633 177.061 175.510 -0.137 0.000 1.030 435 N CA 0.917 53.907 53.050 -0.100 0.000 0.849 435 N CB -0.336 38.119 38.487 -0.055 0.000 1.012 435 N HN 0.336 nan 8.380 nan 0.000 0.423 436 E N 0.700 120.738 120.200 -0.271 0.000 2.204 436 E HA -0.159 4.197 4.350 0.010 0.000 0.194 436 E C 1.864 178.367 176.600 -0.160 0.000 0.989 436 E CA 0.552 56.795 56.400 -0.261 0.000 0.824 436 E CB -0.097 29.336 29.700 -0.445 0.000 0.756 436 E HN 0.328 nan 8.360 nan 0.000 0.477 437 Q N 1.480 121.195 119.800 -0.142 0.000 2.084 437 Q HA -0.125 4.220 4.340 0.010 0.000 0.202 437 Q C 1.784 177.741 176.000 -0.072 0.000 0.978 437 Q CA 1.692 57.441 55.803 -0.090 0.000 0.844 437 Q CB 0.037 28.731 28.738 -0.073 0.000 0.898 437 Q HN 0.142 nan 8.270 nan 0.000 0.426 438 K N -0.893 119.466 120.400 -0.068 0.000 2.062 438 K HA 0.042 4.368 4.320 0.010 0.000 0.205 438 K C 2.015 178.587 176.600 -0.046 0.000 1.051 438 K CA 0.982 57.239 56.287 -0.050 0.000 0.941 438 K CB -0.144 32.332 32.500 -0.040 0.000 0.719 438 K HN 0.224 nan 8.250 nan 0.000 0.440 439 A N 1.283 124.075 122.820 -0.046 0.000 1.929 439 A HA -0.058 4.268 4.320 0.010 0.000 0.216 439 A C 1.762 179.323 177.584 -0.039 0.000 1.176 439 A CA 1.102 53.122 52.037 -0.027 0.000 0.628 439 A CB 0.002 19.003 19.000 0.001 0.000 0.816 439 A HN 0.164 nan 8.150 nan 0.000 0.444 440 R N -2.589 117.874 120.500 -0.061 0.000 2.541 440 R HA 0.261 4.607 4.340 0.010 0.000 0.332 440 R C 0.813 177.075 176.300 -0.065 0.000 0.951 440 R CA 0.507 56.572 56.100 -0.058 0.000 1.136 440 R CB 0.684 30.945 30.300 -0.065 0.000 1.449 440 R HN 0.676 nan 8.270 nan 0.000 0.531 441 G N 0.995 109.751 108.800 -0.073 0.000 2.147 441 G HA2 -0.173 3.793 3.960 0.010 0.000 0.244 441 G HA3 -0.173 3.793 3.960 0.010 0.000 0.244 441 G C 0.226 175.093 174.900 -0.056 0.000 1.005 441 G CA 0.085 45.134 45.100 -0.085 0.000 0.713 441 G HN 0.736 nan 8.290 nan 0.000 0.515 442 G N -2.415 106.364 108.800 -0.035 0.000 2.356 442 G HA2 0.530 4.495 3.960 0.010 0.000 0.300 442 G HA3 0.530 4.495 3.960 0.010 0.000 0.300 442 G C -0.758 174.151 174.900 0.014 0.000 1.331 442 G CA 0.418 45.530 45.100 0.021 0.000 0.905 442 G HN 1.991 nan 8.290 nan 0.000 0.587 443 C N 1.946 121.282 119.300 0.059 0.000 2.705 443 C HA 0.741 5.206 4.460 0.010 0.000 0.369 443 C C -2.543 172.424 174.990 -0.038 0.000 1.069 443 C CA -1.168 57.840 59.018 -0.017 0.000 1.260 443 C CB 1.381 29.049 27.740 -0.121 0.000 1.764 443 C HN 0.728 nan 8.230 nan 0.000 0.469 444 P HA 0.411 nan 4.420 nan 0.000 0.271 444 P C -0.708 176.470 177.300 -0.203 0.000 1.226 444 P CA 0.526 63.221 63.100 -0.675 0.000 0.765 444 P CB 1.104 32.154 31.700 -1.084 0.000 0.835 445 A N 2.706 125.477 122.820 -0.083 0.000 2.488 445 A HA 0.389 4.715 4.320 0.010 0.000 0.298 445 A C -0.973 176.656 177.584 0.074 0.000 1.044 445 A CA -0.566 51.517 52.037 0.077 0.000 0.693 445 A CB 1.259 20.427 19.000 0.279 0.000 1.272 445 A HN 0.442 nan 8.150 nan 0.000 0.402 446 D N 2.169 122.600 120.400 0.052 0.000 2.456 446 D HA 0.115 4.761 4.640 0.010 0.000 0.219 446 D C 0.856 177.283 176.300 0.212 0.000 1.126 446 D CA -0.459 53.606 54.000 0.109 0.000 0.890 446 D CB 0.280 41.080 40.800 -0.000 0.000 1.025 446 D HN 0.608 nan 8.370 nan 0.000 0.511 447 W N 4.232 125.571 121.300 0.064 0.000 2.304 447 W HA -0.340 4.326 4.660 0.010 0.000 0.315 447 W C 1.985 178.539 176.519 0.059 0.000 1.233 447 W CA 2.542 59.912 57.345 0.042 0.000 1.261 447 W CB -0.037 29.424 29.460 0.002 0.000 1.150 447 W HN 0.554 nan 8.180 nan 0.000 0.494 448 A N -1.427 121.663 122.820 0.449 0.000 2.024 448 A HA -0.199 4.127 4.320 0.010 0.000 0.220 448 A C 1.452 179.091 177.584 0.091 0.000 1.164 448 A CA 1.665 53.881 52.037 0.299 0.000 0.643 448 A CB -1.226 17.988 19.000 0.357 0.000 0.806 448 A HN 0.542 nan 8.150 nan 0.000 0.451 449 W N -1.123 120.141 121.300 -0.058 0.000 2.762 449 W HA 0.231 4.897 4.660 0.009 0.000 0.265 449 W C 1.826 178.229 176.519 -0.193 0.000 1.263 449 W CA -0.201 57.088 57.345 -0.094 0.000 1.411 449 W CB -0.020 29.410 29.460 -0.050 0.000 1.065 449 W HN 0.124 nan 8.180 nan 0.000 0.609 450 I N -0.169 120.361 120.570 -0.067 0.000 2.333 450 I HA -0.062 4.114 4.170 0.010 0.000 0.246 450 I C 0.681 176.596 176.117 -0.337 0.000 1.106 450 I CA 0.784 61.913 61.300 -0.285 0.000 1.411 450 I CB -1.394 36.365 38.000 -0.402 0.000 1.082 450 I HN -0.419 nan 8.210 nan 0.000 0.420 451 V N 3.855 123.481 119.914 -0.480 0.000 2.521 451 V HA 0.067 4.193 4.120 0.010 0.000 0.286 451 V C -1.904 174.008 176.094 -0.302 0.000 1.034 451 V CA -0.997 61.012 62.300 -0.486 0.000 1.045 451 V CB 0.136 31.426 31.823 -0.889 0.000 0.974 451 V HN 0.125 nan 8.190 nan 0.000 0.480 452 P HA 0.102 nan 4.420 nan 0.000 0.268 452 P C -1.759 175.406 177.300 -0.225 0.000 1.208 452 P CA -1.016 61.957 63.100 -0.213 0.000 0.777 452 P CB 0.065 31.640 31.700 -0.207 0.000 0.875 453 P HA -0.023 nan 4.420 nan 0.000 0.226 453 P C 0.205 177.385 177.300 -0.201 0.000 1.153 453 P CA 1.226 64.201 63.100 -0.208 0.000 0.777 453 P CB 0.028 31.602 31.700 -0.210 0.000 0.794 454 I N -6.801 113.608 120.570 -0.268 0.000 2.934 454 I HA 0.467 4.643 4.170 0.010 0.000 0.306 454 I C -0.002 175.979 176.117 -0.226 0.000 1.110 454 I CA -1.261 59.896 61.300 -0.238 0.000 1.019 454 I CB 1.956 39.795 38.000 -0.269 0.000 1.227 454 I HN -0.408 nan 8.210 nan 0.000 0.434 455 S N 2.141 117.768 115.700 -0.122 0.000 3.533 455 S HA -0.201 4.275 4.470 0.010 0.000 0.347 455 S C 1.390 175.951 174.600 -0.065 0.000 1.101 455 S CA 0.828 59.000 58.200 -0.047 0.000 1.009 455 S CB -1.687 61.560 63.200 0.079 0.000 0.916 455 S HN 1.261 nan 8.310 nan 0.000 0.496 456 G N 2.271 111.004 108.800 -0.111 0.000 2.631 456 G HA2 -0.335 3.631 3.960 0.010 0.000 0.219 456 G HA3 -0.335 3.631 3.960 0.010 0.000 0.219 456 G C 1.426 176.192 174.900 -0.222 0.000 1.214 456 G CA 1.544 46.588 45.100 -0.093 0.000 0.785 456 G HN 1.290 nan 8.290 nan 0.000 0.596 457 S N 0.287 115.592 115.700 -0.658 0.000 2.603 457 S HA 0.192 4.667 4.470 0.010 0.000 0.229 457 S C 2.008 176.527 174.600 -0.136 0.000 0.972 457 S CA 0.517 58.178 58.200 -0.898 0.000 0.935 457 S CB -0.153 62.344 63.200 -1.171 0.000 0.769 457 S HN 0.330 nan 8.310 nan 0.000 0.536 458 L N 1.891 123.098 121.223 -0.028 0.000 2.558 458 L HA 0.151 4.496 4.340 0.010 0.000 0.225 458 L C 1.213 178.210 176.870 0.211 0.000 1.128 458 L CA 0.412 55.325 54.840 0.121 0.000 0.868 458 L CB -0.855 41.302 42.059 0.163 0.000 1.006 458 L HN 0.466 nan 8.230 nan 0.000 0.454 459 T N -4.125 110.538 114.554 0.181 0.000 2.929 459 T HA 0.311 4.667 4.350 0.010 0.000 0.284 459 T C -1.653 173.205 174.700 0.263 0.000 1.014 459 T CA -1.973 60.255 62.100 0.213 0.000 1.051 459 T CB 1.933 70.879 68.868 0.130 0.000 1.028 459 T HN -0.194 nan 8.240 nan 0.000 0.485 460 P HA -0.081 nan 4.420 nan 0.000 0.218 460 P C 1.811 179.302 177.300 0.319 0.000 1.149 460 P CA 1.049 64.342 63.100 0.322 0.000 0.817 460 P CB -0.333 31.507 31.700 0.234 0.000 0.785 461 V N -3.655 116.397 119.914 0.231 0.000 2.594 461 V HA -0.195 3.931 4.120 0.010 0.000 0.253 461 V C 2.387 178.575 176.094 0.156 0.000 1.069 461 V CA 1.196 63.609 62.300 0.190 0.000 1.082 461 V CB -2.262 29.611 31.823 0.084 0.000 0.680 461 V HN -0.114 nan 8.190 nan 0.000 0.469 462 F N 1.823 121.733 119.950 -0.067 0.000 2.126 462 F HA -0.177 4.355 4.527 0.009 0.000 0.299 462 F C 2.453 178.348 175.800 0.157 0.000 1.096 462 F CA 2.241 60.207 58.000 -0.057 0.000 1.255 462 F CB -0.248 38.576 39.000 -0.294 0.000 0.997 462 F HN 0.278 nan 8.300 nan 0.000 0.479 463 H N -0.810 118.605 119.070 0.575 0.000 2.533 463 H HA 0.103 4.664 4.556 0.009 0.000 0.271 463 H C 0.198 175.778 175.328 0.421 0.000 1.000 463 H CA 0.269 56.608 56.048 0.485 0.000 1.149 463 H CB -0.299 29.720 29.762 0.428 0.000 1.375 463 H HN 0.272 nan 8.280 nan 0.000 0.582 464 Q N 1.860 121.930 119.800 0.450 0.000 2.347 464 Q HA 0.181 4.527 4.340 0.010 0.000 0.262 464 Q C -0.615 175.609 176.000 0.372 0.000 0.980 464 Q CA -0.466 55.554 55.803 0.362 0.000 0.867 464 Q CB 0.877 29.799 28.738 0.305 0.000 1.242 464 Q HN 0.225 nan 8.270 nan 0.000 0.453 465 E N 3.218 123.581 120.200 0.271 0.000 2.404 465 E HA 0.301 4.656 4.350 0.010 0.000 0.261 465 E C -0.475 176.249 176.600 0.206 0.000 1.074 465 E CA 0.258 56.770 56.400 0.185 0.000 0.917 465 E CB 0.839 30.621 29.700 0.138 0.000 0.965 465 E HN 0.599 nan 8.360 nan 0.000 0.433 466 M N 1.082 120.801 119.600 0.199 0.000 2.550 466 M HA 0.372 4.857 4.480 0.010 0.000 0.292 466 M C -1.297 175.105 176.300 0.169 0.000 1.221 466 M CA -0.989 54.440 55.300 0.215 0.000 0.873 466 M CB 2.415 35.198 32.600 0.304 0.000 1.727 466 M HN 0.152 nan 8.290 nan 0.000 0.459 467 V N 1.495 121.521 119.914 0.186 0.000 2.417 467 V HA 0.415 4.541 4.120 0.010 0.000 0.291 467 V C -0.641 175.572 176.094 0.198 0.000 1.024 467 V CA -0.704 61.737 62.300 0.236 0.000 0.861 467 V CB 1.560 33.588 31.823 0.342 0.000 0.985 467 V HN 0.874 nan 8.190 nan 0.000 0.436 468 N N 3.709 122.515 118.700 0.177 0.000 2.372 468 N HA 0.701 5.447 4.740 0.010 0.000 0.291 468 N C -1.623 173.974 175.510 0.145 0.000 1.024 468 N CA -0.421 52.645 53.050 0.027 0.000 0.873 468 N CB 1.695 40.206 38.487 0.039 0.000 1.206 468 N HN 0.737 nan 8.380 nan 0.000 0.486 469 Y N 0.801 121.114 120.300 0.022 0.000 2.677 469 Y HA 0.484 5.039 4.550 0.010 0.000 0.334 469 Y C -1.449 174.448 175.900 -0.005 0.000 1.196 469 Y CA -1.182 56.925 58.100 0.012 0.000 1.059 469 Y CB 0.713 39.186 38.460 0.022 0.000 1.315 469 Y HN 0.175 nan 8.280 nan 0.000 0.455 470 I N 3.512 124.174 120.570 0.153 0.000 2.315 470 I HA 0.437 4.612 4.170 0.010 0.000 0.291 470 I C -0.686 175.497 176.117 0.109 0.000 1.006 470 I CA -0.478 60.856 61.300 0.057 0.000 1.265 470 I CB 1.056 39.072 38.000 0.027 0.000 1.387 470 I HN 0.439 nan 8.210 nan 0.000 0.475 471 L N 4.949 126.204 121.223 0.054 0.000 2.333 471 L HA 0.583 4.929 4.340 0.010 0.000 0.269 471 L C -0.108 176.759 176.870 -0.004 0.000 1.010 471 L CA -0.561 54.316 54.840 0.060 0.000 0.818 471 L CB 2.126 44.225 42.059 0.067 0.000 1.306 471 L HN 0.517 nan 8.230 nan 0.000 0.430 472 S N 1.271 116.977 115.700 0.010 0.000 2.536 472 S HA 0.648 5.124 4.470 0.010 0.000 0.298 472 S C -2.605 172.003 174.600 0.013 0.000 1.083 472 S CA -1.466 56.724 58.200 -0.017 0.000 0.995 472 S CB 1.915 65.120 63.200 0.008 0.000 1.058 472 S HN 0.231 nan 8.310 nan 0.000 0.488 473 P HA 0.364 nan 4.420 nan 0.000 0.267 473 P C -1.291 175.874 177.300 -0.224 0.000 1.201 473 P CA 0.065 63.062 63.100 -0.172 0.000 0.775 473 P CB 0.469 32.018 31.700 -0.252 0.000 0.854 474 A N 1.522 124.170 122.820 -0.287 0.000 2.612 474 A HA 0.681 5.007 4.320 0.010 0.000 0.293 474 A C -1.634 175.728 177.584 -0.369 0.000 1.075 474 A CA -0.513 51.353 52.037 -0.284 0.000 0.680 474 A CB 0.795 19.709 19.000 -0.143 0.000 1.279 474 A HN 0.336 nan 8.150 nan 0.000 0.411 475 F N 1.020 120.888 119.950 -0.138 0.000 2.415 475 F HA 0.660 5.192 4.527 0.008 0.000 0.348 475 F C 0.945 176.645 175.800 -0.167 0.000 1.119 475 F CA 0.055 57.980 58.000 -0.126 0.000 1.069 475 F CB 1.786 40.677 39.000 -0.181 0.000 1.124 475 F HN 0.547 nan 8.300 nan 0.000 0.472 476 R N 1.758 122.288 120.500 0.050 0.000 2.837 476 R HA 0.477 4.823 4.340 0.010 0.000 0.271 476 R C -1.557 174.735 176.300 -0.013 0.000 0.993 476 R CA -1.228 54.829 56.100 -0.072 0.000 0.931 476 R CB 1.613 31.896 30.300 -0.028 0.000 1.206 476 R HN 0.382 nan 8.270 nan 0.000 0.474 477 Y N 1.380 121.699 120.300 0.032 0.000 2.326 477 Y HA 0.154 4.709 4.550 0.010 0.000 0.333 477 Y C 0.611 176.508 175.900 -0.004 0.000 1.240 477 Y CA -0.243 57.867 58.100 0.017 0.000 1.365 477 Y CB 0.824 39.283 38.460 -0.001 0.000 1.289 477 Y HN 0.460 nan 8.280 nan 0.000 0.548 478 Q N 1.287 121.177 119.800 0.151 0.000 2.456 478 Q HA 0.649 4.995 4.340 0.010 0.000 0.284 478 Q C -3.114 172.849 176.000 -0.061 0.000 1.061 478 Q CA -2.485 53.337 55.803 0.032 0.000 0.799 478 Q CB 2.068 30.817 28.738 0.019 0.000 1.445 478 Q HN 0.268 nan 8.270 nan 0.000 0.411 479 P HA 0.051 nan 4.420 nan 0.000 0.269 479 P C -0.932 176.147 177.300 -0.369 0.000 1.215 479 P CA 0.021 62.989 63.100 -0.220 0.000 0.780 479 P CB 0.413 31.999 31.700 -0.190 0.000 0.898 480 D N 3.121 123.164 120.400 -0.595 0.000 2.382 480 D HA 0.012 4.657 4.640 0.010 0.000 0.245 480 D C -1.047 174.644 176.300 -1.017 0.000 1.120 480 D CA -0.932 52.421 54.000 -1.077 0.000 0.890 480 D CB 0.439 40.098 40.800 -1.903 0.000 1.201 480 D HN 0.299 nan 8.370 nan 0.000 0.433 481 P HA -0.077 nan 4.420 nan 0.000 0.225 481 P C 0.274 177.214 177.300 -0.599 0.000 1.148 481 P CA 0.769 63.446 63.100 -0.705 0.000 0.779 481 P CB 0.132 31.381 31.700 -0.753 0.000 0.780 482 W N 0.000 120.882 121.300 -0.696 0.000 2.388 482 W HA 0.000 4.665 4.660 0.009 0.000 0.303 482 W CA 0.000 57.104 57.345 -0.402 0.000 1.226 482 W CB 0.000 29.225 29.460 -0.391 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535