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 1d1x_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 3.965 3.960 0.009 0.000 0.244 67 G C 0.000 174.824 174.900 -0.126 0.000 0.946 67 G CA 0.000 45.058 45.100 -0.070 0.000 0.502 68 P HA 0.227 nan 4.420 nan 0.000 0.265 68 P C -0.141 177.109 177.300 -0.082 0.000 1.187 68 P CA 0.051 63.016 63.100 -0.225 0.000 0.766 68 P CB 0.734 32.069 31.700 -0.609 0.000 0.820 69 K N 2.714 123.011 120.400 -0.171 0.000 2.911 69 K HA 0.137 4.462 4.320 0.009 0.000 0.239 69 K C -0.853 175.364 176.600 -0.639 0.000 1.090 69 K CA -0.013 56.047 56.287 -0.378 0.000 1.225 69 K CB -0.489 31.726 32.500 -0.474 0.000 1.087 69 K HN 0.353 nan 8.250 nan 0.000 0.464 70 F N -0.240 119.739 119.950 0.049 0.000 2.603 70 F HA 0.378 4.910 4.527 0.010 0.000 0.317 70 F C -2.145 173.757 175.800 0.170 0.000 1.066 70 F CA -2.911 55.142 58.000 0.087 0.000 0.941 70 F CB 0.817 39.868 39.000 0.085 0.000 1.291 70 F HN -0.009 nan 8.300 nan 0.000 0.472 71 P HA 0.012 nan 4.420 nan 0.000 0.261 71 P C -0.725 176.672 177.300 0.162 0.000 1.183 71 P CA 0.024 63.238 63.100 0.189 0.000 0.761 71 P CB 0.402 32.188 31.700 0.142 0.000 0.785 72 R N 3.343 123.882 120.500 0.064 0.000 2.234 72 R HA 0.353 4.698 4.340 0.009 0.000 0.324 72 R C -1.107 175.092 176.300 -0.169 0.000 1.054 72 R CA -0.477 55.481 56.100 -0.236 0.000 0.912 72 R CB 0.411 30.617 30.300 -0.157 0.000 1.030 72 R HN 0.230 nan 8.270 nan 0.000 0.455 73 V N 5.252 125.028 119.914 -0.231 0.000 2.417 73 V HA 0.351 4.476 4.120 0.009 0.000 0.291 73 V C -0.171 175.845 176.094 -0.129 0.000 1.024 73 V CA -0.700 61.543 62.300 -0.094 0.000 0.861 73 V CB 1.486 33.292 31.823 -0.030 0.000 0.985 73 V HN 0.711 nan 8.190 nan 0.000 0.436 74 K N 3.789 124.145 120.400 -0.073 0.000 2.259 74 K HA 0.442 4.767 4.320 0.009 0.000 0.249 74 K C -0.702 175.860 176.600 -0.064 0.000 0.942 74 K CA -0.723 55.458 56.287 -0.176 0.000 0.816 74 K CB 1.586 33.834 32.500 -0.420 0.000 1.155 74 K HN 0.713 nan 8.250 nan 0.000 0.428 75 N N 3.926 122.568 118.700 -0.097 0.000 2.444 75 N HA 0.114 4.859 4.740 0.009 0.000 0.262 75 N C -0.403 175.108 175.510 0.002 0.000 0.974 75 N CA -0.385 52.712 53.050 0.077 0.000 0.933 75 N CB 0.520 39.054 38.487 0.079 0.000 1.137 75 N HN 0.672 nan 8.380 nan 0.000 0.498 76 W N 2.114 123.496 121.300 0.136 0.000 2.937 76 W HA 0.162 4.828 4.660 0.009 0.000 0.245 76 W C 2.013 178.580 176.519 0.079 0.000 1.306 76 W CA -0.141 57.274 57.345 0.116 0.000 1.470 76 W CB 0.281 29.834 29.460 0.155 0.000 1.132 76 W HN 0.660 nan 8.180 nan 0.000 0.675 77 E N 0.424 120.765 120.200 0.235 0.000 2.060 77 E HA -0.084 4.271 4.350 0.009 0.000 0.189 77 E C 1.704 178.328 176.600 0.040 0.000 0.974 77 E CA 0.942 57.377 56.400 0.058 0.000 0.808 77 E CB -0.208 29.490 29.700 -0.003 0.000 0.768 77 E HN 0.233 nan 8.360 nan 0.000 0.453 78 L N -0.641 120.608 121.223 0.043 0.000 2.585 78 L HA 0.300 4.645 4.340 0.009 0.000 0.226 78 L C 1.454 178.309 176.870 -0.025 0.000 1.113 78 L CA 0.391 55.237 54.840 0.011 0.000 0.876 78 L CB 0.443 42.513 42.059 0.018 0.000 1.072 78 L HN 0.393 nan 8.230 nan 0.000 0.468 79 G N 0.760 109.524 108.800 -0.059 0.000 2.166 79 G HA2 -0.318 3.647 3.960 0.009 0.000 0.260 79 G HA3 -0.318 3.647 3.960 0.009 0.000 0.260 79 G C 0.382 175.195 174.900 -0.144 0.000 0.986 79 G CA 0.512 45.530 45.100 -0.137 0.000 0.683 79 G HN 0.486 nan 8.290 nan 0.000 0.527 80 S N -0.205 115.431 115.700 -0.106 0.000 2.601 80 S HA 0.792 5.268 4.470 0.009 0.000 0.271 80 S C 0.129 174.649 174.600 -0.133 0.000 1.305 80 S CA -0.785 57.359 58.200 -0.093 0.000 1.022 80 S CB 2.156 65.326 63.200 -0.050 0.000 0.940 80 S HN 0.394 nan 8.310 nan 0.000 0.525 81 I N 2.153 122.646 120.570 -0.128 0.000 2.569 81 I HA 0.599 4.775 4.170 0.009 0.000 0.296 81 I C 0.269 176.279 176.117 -0.178 0.000 1.028 81 I CA -0.230 60.956 61.300 -0.189 0.000 1.082 81 I CB 1.700 39.577 38.000 -0.206 0.000 1.264 81 I HN 1.064 nan 8.210 nan 0.000 0.429 82 T N 1.698 116.090 114.554 -0.269 0.000 2.864 82 T HA 0.683 5.039 4.350 0.009 0.000 0.299 82 T C -1.355 173.115 174.700 -0.384 0.000 1.166 82 T CA -0.723 61.262 62.100 -0.192 0.000 1.007 82 T CB 1.829 70.649 68.868 -0.080 0.000 1.219 82 T HN 0.248 nan 8.240 nan 0.000 0.506 83 Y N 0.357 120.652 120.300 -0.009 0.000 2.364 83 Y HA 0.508 5.063 4.550 0.009 0.000 0.340 83 Y C -0.010 175.864 175.900 -0.044 0.000 0.975 83 Y CA -0.947 57.158 58.100 0.009 0.000 1.089 83 Y CB 1.681 40.158 38.460 0.028 0.000 1.192 83 Y HN 0.714 nan 8.280 nan 0.000 0.454 84 D N 1.983 122.450 120.400 0.113 0.000 2.347 84 D HA 0.099 4.744 4.640 0.009 0.000 0.235 84 D C 0.641 176.900 176.300 -0.069 0.000 1.149 84 D CA 0.053 54.075 54.000 0.037 0.000 0.850 84 D CB 1.278 42.142 40.800 0.107 0.000 1.061 84 D HN 0.787 nan 8.370 nan 0.000 0.487 85 T N 1.053 115.437 114.554 -0.284 0.000 3.001 85 T HA -0.031 4.324 4.350 0.009 0.000 0.251 85 T C 1.788 176.331 174.700 -0.261 0.000 1.040 85 T CA -0.252 61.490 62.100 -0.596 0.000 0.985 85 T CB 0.102 68.411 68.868 -0.932 0.000 1.011 85 T HN 0.253 nan 8.240 nan 0.000 0.509 86 L N 2.402 123.526 121.223 -0.165 0.000 2.201 86 L HA 0.082 4.427 4.340 0.009 0.000 0.212 86 L C 2.567 179.292 176.870 -0.243 0.000 1.105 86 L CA 1.158 55.936 54.840 -0.103 0.000 0.775 86 L CB -0.887 41.193 42.059 0.034 0.000 0.913 86 L HN 0.640 nan 8.230 nan 0.000 0.440 87 C N -1.499 117.463 119.300 -0.563 0.000 2.419 87 C HA 0.059 4.525 4.460 0.009 0.000 0.283 87 C C 2.783 177.551 174.990 -0.370 0.000 1.373 87 C CA 0.157 58.555 59.018 -1.034 0.000 1.781 87 C CB -2.254 24.875 27.740 -1.019 0.000 1.886 87 C HN 0.583 nan 8.230 nan 0.000 0.520 88 A N 0.061 122.802 122.820 -0.132 0.000 2.121 88 A HA -0.093 4.232 4.320 0.009 0.000 0.218 88 A C 2.275 179.848 177.584 -0.019 0.000 1.154 88 A CA 1.374 53.412 52.037 0.001 0.000 0.679 88 A CB -0.430 18.661 19.000 0.151 0.000 0.795 88 A HN 0.680 nan 8.150 nan 0.000 0.458 89 Q N 0.017 119.789 119.800 -0.047 0.000 2.432 89 Q HA 0.056 4.401 4.340 0.009 0.000 0.205 89 Q C 0.939 176.949 176.000 0.018 0.000 0.945 89 Q CA 0.414 56.215 55.803 -0.002 0.000 0.924 89 Q CB -0.377 28.368 28.738 0.012 0.000 1.016 89 Q HN 0.538 nan 8.270 nan 0.000 0.503 90 S N 0.946 116.642 115.700 -0.006 0.000 2.546 90 S HA -0.031 4.444 4.470 0.009 0.000 0.290 90 S C 0.967 175.591 174.600 0.041 0.000 1.290 90 S CA 0.128 58.358 58.200 0.050 0.000 1.069 90 S CB 0.528 63.761 63.200 0.054 0.000 0.846 90 S HN 0.143 nan 8.310 nan 0.000 0.495 91 Q N 2.336 122.168 119.800 0.053 0.000 2.280 91 Q HA 0.211 4.557 4.340 0.009 0.000 0.228 91 Q C 0.191 176.215 176.000 0.039 0.000 0.857 91 Q CA 0.244 56.073 55.803 0.042 0.000 0.939 91 Q CB 0.480 29.247 28.738 0.048 0.000 1.114 91 Q HN 0.801 nan 8.270 nan 0.000 0.514 92 Q N 1.210 121.037 119.800 0.046 0.000 2.340 92 Q HA 0.209 4.554 4.340 0.009 0.000 0.268 92 Q C -1.243 174.785 176.000 0.046 0.000 1.031 92 Q CA -0.513 55.314 55.803 0.039 0.000 0.804 92 Q CB 1.502 30.259 28.738 0.032 0.000 1.286 92 Q HN -0.037 nan 8.270 nan 0.000 0.448 93 D N 2.050 122.473 120.400 0.037 0.000 2.372 93 D HA 0.250 4.895 4.640 0.009 0.000 0.243 93 D C 0.224 176.550 176.300 0.042 0.000 1.121 93 D CA 0.251 54.275 54.000 0.040 0.000 0.898 93 D CB 1.282 42.100 40.800 0.030 0.000 1.202 93 D HN 0.698 nan 8.370 nan 0.000 0.428 94 G N 0.487 109.317 108.800 0.050 0.000 2.641 94 G HA2 0.336 4.301 3.960 0.009 0.000 0.239 94 G HA3 0.336 4.301 3.960 0.009 0.000 0.239 94 G C -1.684 173.240 174.900 0.040 0.000 1.402 94 G CA -0.569 44.560 45.100 0.047 0.000 1.046 94 G HN 0.346 nan 8.290 nan 0.000 0.565 95 P HA 0.203 nan 4.420 nan 0.000 0.257 95 P C 0.186 177.507 177.300 0.035 0.000 1.241 95 P CA -0.059 63.063 63.100 0.037 0.000 0.816 95 P CB 0.207 31.931 31.700 0.040 0.000 1.150 96 C N 0.652 119.975 119.300 0.038 0.000 2.422 96 C HA 0.679 5.145 4.460 0.009 0.000 0.364 96 C C 0.949 175.956 174.990 0.029 0.000 1.251 96 C CA 0.154 59.192 59.018 0.034 0.000 2.441 96 C CB 1.072 28.836 27.740 0.040 0.000 2.393 96 C HN 0.360 nan 8.230 nan 0.000 0.606 97 T N -2.069 112.499 114.554 0.023 0.000 2.843 97 T HA 0.396 4.751 4.350 0.009 0.000 0.302 97 T C -2.548 172.161 174.700 0.015 0.000 1.232 97 T CA -1.040 61.071 62.100 0.018 0.000 1.009 97 T CB 1.306 70.183 68.868 0.015 0.000 1.254 97 T HN 0.264 nan 8.240 nan 0.000 0.504 98 P HA -0.044 nan 4.420 nan 0.000 0.218 98 P C 1.463 178.768 177.300 0.008 0.000 1.146 98 P CA 0.761 63.867 63.100 0.010 0.000 0.813 98 P CB 0.119 31.823 31.700 0.007 0.000 0.778 99 R N -0.244 120.261 120.500 0.008 0.000 2.093 99 R HA -0.039 4.307 4.340 0.009 0.000 0.224 99 R C 0.600 176.904 176.300 0.007 0.000 1.101 99 R CA 0.858 56.962 56.100 0.007 0.000 0.979 99 R CB 0.181 30.485 30.300 0.007 0.000 0.877 99 R HN 0.076 nan 8.270 nan 0.000 0.441 100 R N -0.246 120.260 120.500 0.010 0.000 2.629 100 R HA 0.162 4.508 4.340 0.009 0.000 0.266 100 R C -1.884 174.425 176.300 0.014 0.000 1.051 100 R CA -0.708 55.398 56.100 0.010 0.000 0.895 100 R CB 0.228 30.533 30.300 0.010 0.000 1.246 100 R HN 0.077 nan 8.270 nan 0.000 0.459 101 C N 3.729 123.037 119.300 0.013 0.000 2.307 101 C HA 0.568 5.033 4.460 0.009 0.000 0.340 101 C C 0.764 175.768 174.990 0.024 0.000 1.275 101 C CA -0.666 58.363 59.018 0.018 0.000 1.811 101 C CB -0.774 26.972 27.740 0.011 0.000 2.372 101 C HN 0.751 nan 8.230 nan 0.000 0.531 102 L N 5.791 127.034 121.223 0.034 0.000 3.110 102 L HA 0.283 4.628 4.340 0.009 0.000 0.266 102 L C 2.016 178.920 176.870 0.057 0.000 1.257 102 L CA 0.182 55.047 54.840 0.041 0.000 1.038 102 L CB -0.077 42.005 42.059 0.038 0.000 1.395 102 L HN 1.019 nan 8.230 nan 0.000 0.566 103 G N 0.296 109.131 108.800 0.059 0.000 2.470 103 G HA2 -0.251 3.714 3.960 0.009 0.000 0.220 103 G HA3 -0.251 3.714 3.960 0.009 0.000 0.220 103 G C 1.533 176.502 174.900 0.116 0.000 1.121 103 G CA 1.125 46.273 45.100 0.081 0.000 0.766 103 G HN 0.513 nan 8.290 nan 0.000 0.553 104 S N -0.629 115.136 115.700 0.107 0.000 2.593 104 S HA 0.349 4.824 4.470 0.009 0.000 0.217 104 S C 0.524 175.210 174.600 0.144 0.000 0.966 104 S CA -0.475 57.808 58.200 0.139 0.000 0.914 104 S CB 0.017 63.279 63.200 0.103 0.000 0.776 104 S HN -0.015 nan 8.310 nan 0.000 0.523 105 L N 2.085 123.378 121.223 0.118 0.000 2.331 105 L HA 0.303 4.649 4.340 0.009 0.000 0.278 105 L C 1.347 178.304 176.870 0.145 0.000 1.106 105 L CA 0.073 54.978 54.840 0.108 0.000 0.824 105 L CB 1.046 43.148 42.059 0.072 0.000 1.142 105 L HN -0.020 nan 8.230 nan 0.000 0.443 106 V N 3.889 123.899 119.914 0.161 0.000 2.307 106 V HA -0.130 3.996 4.120 0.009 0.000 0.245 106 V C 0.988 177.143 176.094 0.102 0.000 1.045 106 V CA 1.363 63.784 62.300 0.201 0.000 1.024 106 V CB -0.309 31.631 31.823 0.194 0.000 0.651 106 V HN 0.533 nan 8.190 nan 0.000 0.449 107 L N 1.122 122.369 121.223 0.040 0.000 2.637 107 L HA 0.386 4.732 4.340 0.009 0.000 0.241 107 L C -2.614 174.280 176.870 0.039 0.000 1.398 107 L CA -1.331 53.515 54.840 0.010 0.000 0.895 107 L CB 0.744 42.746 42.059 -0.096 0.000 1.183 107 L HN 0.198 nan 8.230 nan 0.000 0.497 108 P HA 0.142 nan 4.420 nan 0.000 0.271 108 P C -0.042 177.286 177.300 0.046 0.000 1.216 108 P CA -0.480 62.649 63.100 0.048 0.000 0.771 108 P CB 0.579 32.310 31.700 0.052 0.000 0.864 109 R N 3.661 124.179 120.500 0.030 0.000 4.113 109 R HA 0.083 4.428 4.340 0.009 0.000 0.179 109 R C 0.545 176.861 176.300 0.027 0.000 1.781 109 R CA 0.376 56.491 56.100 0.026 0.000 1.402 109 R CB -0.411 29.897 30.300 0.013 0.000 1.375 109 R HN 0.417 nan 8.270 nan 0.000 0.786 110 K N -0.052 120.370 120.400 0.036 0.000 2.639 110 K HA 0.220 4.545 4.320 0.009 0.000 0.242 110 K C 1.939 178.556 176.600 0.029 0.000 1.386 110 K CA -0.099 56.206 56.287 0.029 0.000 0.780 110 K CB -0.701 31.817 32.500 0.030 0.000 1.790 110 K HN 0.101 nan 8.250 nan 0.000 0.369 111 L N 2.004 123.246 121.223 0.032 0.000 2.051 111 L HA -0.169 4.176 4.340 0.009 0.000 0.214 111 L C 0.858 177.746 176.870 0.031 0.000 1.076 111 L CA 0.777 55.629 54.840 0.019 0.000 0.758 111 L CB -0.568 41.490 42.059 -0.002 0.000 0.890 111 L HN 0.363 nan 8.230 nan 0.000 0.433 112 Q N 1.849 121.687 119.800 0.063 0.000 3.892 112 Q HA -0.164 4.181 4.340 0.009 0.000 0.387 112 Q C 0.240 176.258 176.000 0.030 0.000 1.062 112 Q CA 0.612 56.453 55.803 0.065 0.000 1.333 112 Q CB -0.346 28.419 28.738 0.046 0.000 0.993 112 Q HN 0.373 nan 8.270 nan 0.000 0.454 113 T N 2.186 116.757 114.554 0.029 0.000 3.859 113 T HA 0.227 4.582 4.350 0.009 0.000 0.251 113 T C 0.199 174.895 174.700 -0.007 0.000 1.079 113 T CA -0.722 61.382 62.100 0.006 0.000 1.151 113 T CB -0.030 68.841 68.868 0.006 0.000 1.173 113 T HN 0.418 nan 8.240 nan 0.000 0.885 114 R N 3.005 123.497 120.500 -0.013 0.000 2.590 114 R HA 0.269 4.614 4.340 0.009 0.000 0.274 114 R C -2.411 173.870 176.300 -0.031 0.000 1.061 114 R CA -1.768 54.315 56.100 -0.029 0.000 1.081 114 R CB -0.432 29.853 30.300 -0.025 0.000 0.984 114 R HN 0.302 nan 8.270 nan 0.000 0.448 115 P HA -0.032 nan 4.420 nan 0.000 0.255 115 P C -1.046 176.238 177.300 -0.028 0.000 1.173 115 P CA 0.601 63.678 63.100 -0.038 0.000 0.780 115 P CB 0.418 32.089 31.700 -0.048 0.000 0.758 116 S N 3.443 119.128 115.700 -0.024 0.000 2.497 116 S HA 0.356 4.832 4.470 0.009 0.000 0.176 116 S C -1.617 172.972 174.600 -0.018 0.000 1.445 116 S CA -1.199 56.989 58.200 -0.019 0.000 1.092 116 S CB 0.089 63.278 63.200 -0.019 0.000 1.216 116 S HN 0.165 nan 8.310 nan 0.000 0.486 117 P HA -0.060 nan 4.420 nan 0.000 0.203 117 P C 1.047 178.342 177.300 -0.009 0.000 1.087 117 P CA 1.317 64.410 63.100 -0.011 0.000 0.952 117 P CB -0.676 31.019 31.700 -0.008 0.000 0.758 118 G N 1.204 110.001 108.800 -0.006 0.000 2.187 118 G HA2 0.085 4.051 3.960 0.009 0.000 0.239 118 G HA3 0.085 4.051 3.960 0.009 0.000 0.239 118 G C -2.216 172.681 174.900 -0.006 0.000 1.200 118 G CA -0.498 44.600 45.100 -0.004 0.000 0.888 118 G HN 0.182 nan 8.290 nan 0.000 0.482 119 P HA 0.010 nan 4.420 nan 0.000 0.265 119 P C -1.728 175.569 177.300 -0.004 0.000 1.167 119 P CA -0.304 62.793 63.100 -0.006 0.000 0.760 119 P CB 0.112 31.812 31.700 0.001 0.000 0.783 120 P HA 0.226 nan 4.420 nan 0.000 0.274 120 P C -2.527 174.775 177.300 0.004 0.000 1.231 120 P CA -1.620 61.478 63.100 -0.003 0.000 0.790 120 P CB -0.460 31.236 31.700 -0.007 0.000 0.951 121 P HA 0.008 nan 4.420 nan 0.000 0.257 121 P C 0.969 178.276 177.300 0.011 0.000 1.189 121 P CA 0.307 63.411 63.100 0.008 0.000 0.780 121 P CB -0.013 31.691 31.700 0.007 0.000 0.772 122 A N 4.673 127.500 122.820 0.012 0.000 1.958 122 A HA -0.286 4.039 4.320 0.009 0.000 0.221 122 A C 1.871 179.462 177.584 0.011 0.000 1.178 122 A CA 1.796 53.842 52.037 0.015 0.000 0.642 122 A CB -0.730 18.277 19.000 0.013 0.000 0.816 122 A HN 0.612 nan 8.150 nan 0.000 0.453 123 E N -1.107 119.098 120.200 0.008 0.000 2.051 123 E HA -0.271 4.085 4.350 0.009 0.000 0.192 123 E C 2.222 178.828 176.600 0.010 0.000 0.991 123 E CA 1.382 57.786 56.400 0.006 0.000 0.799 123 E CB -0.216 29.487 29.700 0.005 0.000 0.748 123 E HN 0.743 nan 8.360 nan 0.000 0.449 124 Q N 1.167 120.975 119.800 0.013 0.000 2.050 124 Q HA -0.178 4.168 4.340 0.009 0.000 0.202 124 Q C 2.126 178.142 176.000 0.026 0.000 0.980 124 Q CA 1.133 56.947 55.803 0.017 0.000 0.840 124 Q CB -0.270 28.477 28.738 0.014 0.000 0.898 124 Q HN 0.267 nan 8.270 nan 0.000 0.424 125 L N -0.339 120.902 121.223 0.031 0.000 2.017 125 L HA -0.127 4.218 4.340 0.009 0.000 0.208 125 L C 2.058 178.956 176.870 0.046 0.000 1.073 125 L CA 1.635 56.507 54.840 0.054 0.000 0.745 125 L CB -0.865 41.234 42.059 0.067 0.000 0.894 125 L HN 0.390 nan 8.230 nan 0.000 0.432 126 L N -0.867 120.364 121.223 0.012 0.000 2.013 126 L HA -0.275 4.070 4.340 0.009 0.000 0.212 126 L C 2.690 179.558 176.870 -0.005 0.000 1.073 126 L CA 2.226 57.051 54.840 -0.024 0.000 0.753 126 L CB -1.111 40.934 42.059 -0.023 0.000 0.890 126 L HN 0.512 nan 8.230 nan 0.000 0.432 127 S N -0.932 114.778 115.700 0.017 0.000 2.356 127 S HA -0.244 4.231 4.470 0.009 0.000 0.223 127 S C 1.853 176.488 174.600 0.058 0.000 1.032 127 S CA 1.493 59.711 58.200 0.031 0.000 1.005 127 S CB 0.015 63.232 63.200 0.028 0.000 0.867 127 S HN 0.485 nan 8.310 nan 0.000 0.449 128 Q N 0.108 119.950 119.800 0.070 0.000 2.124 128 Q HA -0.047 4.299 4.340 0.009 0.000 0.202 128 Q C 2.465 178.564 176.000 0.165 0.000 0.977 128 Q CA 1.448 57.314 55.803 0.105 0.000 0.850 128 Q CB -0.354 28.437 28.738 0.088 0.000 0.901 128 Q HN 0.688 nan 8.270 nan 0.000 0.429 129 A N 1.053 123.954 122.820 0.135 0.000 1.898 129 A HA -0.175 4.151 4.320 0.009 0.000 0.216 129 A C 1.970 179.637 177.584 0.138 0.000 1.181 129 A CA 1.158 53.277 52.037 0.137 0.000 0.620 129 A CB -0.316 18.549 19.000 -0.224 0.000 0.819 129 A HN 0.197 nan 8.150 nan 0.000 0.442 130 R N -0.630 119.911 120.500 0.069 0.000 2.075 130 R HA -0.141 4.204 4.340 0.009 0.000 0.232 130 R C 2.012 178.393 176.300 0.135 0.000 1.126 130 R CA 1.571 57.718 56.100 0.080 0.000 0.963 130 R CB -0.449 29.872 30.300 0.037 0.000 0.858 130 R HN 0.726 nan 8.270 nan 0.000 0.435 131 D N 0.230 120.716 120.400 0.143 0.000 2.104 131 D HA -0.219 4.426 4.640 0.009 0.000 0.194 131 D C 1.687 178.107 176.300 0.200 0.000 0.994 131 D CA 1.065 55.156 54.000 0.151 0.000 0.830 131 D CB -0.085 40.800 40.800 0.141 0.000 0.959 131 D HN 0.131 nan 8.370 nan 0.000 0.452 132 F N 0.851 120.887 119.950 0.143 0.000 2.102 132 F HA -0.105 4.427 4.527 0.008 0.000 0.298 132 F C 1.959 177.897 175.800 0.230 0.000 1.105 132 F CA 1.105 59.224 58.000 0.199 0.000 1.239 132 F CB -0.283 38.843 39.000 0.210 0.000 0.991 132 F HN -0.002 nan 8.300 nan 0.000 0.474 133 I N 1.040 121.627 120.570 0.029 0.000 2.208 133 I HA -0.318 3.857 4.170 0.009 0.000 0.245 133 I C 2.003 178.116 176.117 -0.006 0.000 1.097 133 I CA 1.270 62.575 61.300 0.009 0.000 1.363 133 I CB -1.661 36.470 38.000 0.218 0.000 1.051 133 I HN 0.247 nan 8.210 nan 0.000 0.413 134 N N 0.866 119.598 118.700 0.052 0.000 2.120 134 N HA -0.191 4.554 4.740 0.009 0.000 0.188 134 N C 1.843 177.277 175.510 -0.127 0.000 1.024 134 N CA 1.082 54.132 53.050 -0.000 0.000 0.852 134 N CB -0.343 38.217 38.487 0.120 0.000 1.003 134 N HN 0.505 nan 8.380 nan 0.000 0.424 135 Q N -0.574 119.166 119.800 -0.100 0.000 2.050 135 Q HA -0.180 4.166 4.340 0.009 0.000 0.202 135 Q C 1.788 177.556 176.000 -0.386 0.000 0.980 135 Q CA 1.269 57.020 55.803 -0.088 0.000 0.840 135 Q CB -0.261 28.556 28.738 0.132 0.000 0.898 135 Q HN 0.442 nan 8.270 nan 0.000 0.424 136 Y N 0.031 119.863 120.300 -0.781 0.000 2.128 136 Y HA -0.295 4.260 4.550 0.008 0.000 0.284 136 Y C 1.702 177.060 175.900 -0.903 0.000 1.154 136 Y CA 1.633 59.012 58.100 -1.200 0.000 1.149 136 Y CB -0.500 37.326 38.460 -1.055 0.000 0.976 136 Y HN 0.102 nan 8.280 nan 0.000 0.505 137 Y N -0.868 118.979 120.300 -0.754 0.000 2.352 137 Y HA -0.168 4.388 4.550 0.010 0.000 0.292 137 Y C 3.011 178.576 175.900 -0.559 0.000 1.136 137 Y CA 1.570 59.231 58.100 -0.732 0.000 1.227 137 Y CB -0.584 37.382 38.460 -0.822 0.000 0.991 137 Y HN 0.229 nan 8.280 nan 0.000 0.545 138 S N -0.571 114.910 115.700 -0.365 0.000 2.371 138 S HA -0.180 4.296 4.470 0.009 0.000 0.224 138 S C 2.333 176.770 174.600 -0.271 0.000 1.029 138 S CA 1.373 59.434 58.200 -0.232 0.000 0.978 138 S CB -0.637 62.475 63.200 -0.147 0.000 0.833 138 S HN 0.548 nan 8.310 nan 0.000 0.466 139 S N 1.828 117.278 115.700 -0.418 0.000 2.447 139 S HA -0.024 4.452 4.470 0.009 0.000 0.233 139 S C 1.655 176.037 174.600 -0.364 0.000 1.006 139 S CA 0.976 58.966 58.200 -0.349 0.000 0.957 139 S CB -0.927 61.975 63.200 -0.497 0.000 0.773 139 S HN 0.831 nan 8.310 nan 0.000 0.507 140 I N -3.474 116.785 120.570 -0.519 0.000 3.928 140 I HA 0.421 4.596 4.170 0.009 0.000 0.335 140 I C -0.384 175.584 176.117 -0.248 0.000 1.325 140 I CA -0.545 60.510 61.300 -0.409 0.000 1.107 140 I CB 0.008 37.655 38.000 -0.589 0.000 1.014 140 I HN -0.131 nan 8.210 nan 0.000 0.400 141 K N 2.326 122.603 120.400 -0.205 0.000 3.162 141 K HA -0.132 4.193 4.320 0.009 0.000 0.268 141 K C -0.109 176.446 176.600 -0.076 0.000 1.062 141 K CA 0.455 56.673 56.287 -0.116 0.000 0.769 141 K CB -1.680 30.770 32.500 -0.085 0.000 1.274 141 K HN 0.583 nan 8.250 nan 0.000 0.478 142 R N -0.840 119.621 120.500 -0.064 0.000 2.615 142 R HA 0.117 4.462 4.340 0.009 0.000 0.448 142 R C -0.402 175.944 176.300 0.077 0.000 1.009 142 R CA -0.292 55.826 56.100 0.030 0.000 1.111 142 R CB 0.672 31.034 30.300 0.104 0.000 1.461 142 R HN 0.051 nan 8.270 nan 0.000 0.587 143 S N 0.009 115.732 115.700 0.037 0.000 2.537 143 S HA 0.304 4.780 4.470 0.009 0.000 0.286 143 S C 1.341 176.042 174.600 0.168 0.000 1.299 143 S CA 0.984 59.263 58.200 0.132 0.000 1.067 143 S CB 1.004 64.241 63.200 0.061 0.000 0.864 143 S HN 0.666 nan 8.310 nan 0.000 0.494 144 G N 2.171 111.133 108.800 0.269 0.000 2.199 144 G HA2 -0.311 3.654 3.960 0.009 0.000 0.254 144 G HA3 -0.311 3.654 3.960 0.009 0.000 0.254 144 G C 0.337 175.225 174.900 -0.021 0.000 0.982 144 G CA 0.243 45.356 45.100 0.021 0.000 0.632 144 G HN 1.161 nan 8.290 nan 0.000 0.529 145 S N -0.612 115.101 115.700 0.021 0.000 2.617 145 S HA 0.457 4.932 4.470 0.009 0.000 0.259 145 S C 1.343 175.907 174.600 -0.061 0.000 1.301 145 S CA 0.751 58.945 58.200 -0.009 0.000 0.984 145 S CB 1.430 64.646 63.200 0.027 0.000 0.954 145 S HN 0.564 nan 8.310 nan 0.000 0.572 146 Q N 0.552 120.325 119.800 -0.045 0.000 2.084 146 Q HA -0.112 4.233 4.340 0.009 0.000 0.202 146 Q C 2.234 178.191 176.000 -0.072 0.000 0.978 146 Q CA 1.523 57.292 55.803 -0.057 0.000 0.844 146 Q CB -0.786 27.936 28.738 -0.028 0.000 0.898 146 Q HN 0.929 nan 8.270 nan 0.000 0.426 147 A N 0.259 123.054 122.820 -0.041 0.000 1.902 147 A HA -0.254 4.071 4.320 0.009 0.000 0.217 147 A C 1.902 179.322 177.584 -0.273 0.000 1.181 147 A CA 1.741 53.763 52.037 -0.025 0.000 0.623 147 A CB -1.085 18.003 19.000 0.146 0.000 0.818 147 A HN 0.728 nan 8.150 nan 0.000 0.443 148 H N -0.858 117.783 119.070 -0.715 0.000 2.321 148 H HA -0.112 4.450 4.556 0.010 0.000 0.300 148 H C 1.914 176.911 175.328 -0.551 0.000 1.087 148 H CA 1.257 56.566 56.048 -1.231 0.000 1.319 148 H CB 0.128 29.375 29.762 -0.858 0.000 1.379 148 H HN 0.418 nan 8.280 nan 0.000 0.501 149 E N 0.687 120.678 120.200 -0.349 0.000 2.106 149 E HA -0.139 4.217 4.350 0.009 0.000 0.192 149 E C 2.124 178.625 176.600 -0.165 0.000 0.984 149 E CA 0.849 57.072 56.400 -0.295 0.000 0.806 149 E CB -0.072 29.492 29.700 -0.227 0.000 0.750 149 E HN 0.701 nan 8.360 nan 0.000 0.458 150 E N 0.552 120.681 120.200 -0.118 0.000 2.072 150 E HA -0.177 4.178 4.350 0.009 0.000 0.191 150 E C 2.189 178.775 176.600 -0.024 0.000 0.985 150 E CA 0.721 57.089 56.400 -0.054 0.000 0.801 150 E CB -0.091 29.595 29.700 -0.024 0.000 0.750 150 E HN -0.070 nan 8.360 nan 0.000 0.452 151 R N 1.517 122.006 120.500 -0.018 0.000 2.096 151 R HA -0.089 4.256 4.340 0.009 0.000 0.235 151 R C 2.119 178.446 176.300 0.046 0.000 1.127 151 R CA 1.112 57.254 56.100 0.070 0.000 0.968 151 R CB -0.681 29.733 30.300 0.190 0.000 0.861 151 R HN 0.169 nan 8.270 nan 0.000 0.440 152 L N 0.099 121.316 121.223 -0.010 0.000 2.046 152 L HA -0.205 4.141 4.340 0.009 0.000 0.208 152 L C 2.549 179.392 176.870 -0.044 0.000 1.077 152 L CA 1.727 56.550 54.840 -0.028 0.000 0.747 152 L CB -0.419 41.581 42.059 -0.099 0.000 0.896 152 L HN 0.330 nan 8.230 nan 0.000 0.432 153 Q N -0.546 119.226 119.800 -0.047 0.000 2.084 153 Q HA -0.270 4.075 4.340 0.009 0.000 0.202 153 Q C 2.114 178.105 176.000 -0.015 0.000 0.978 153 Q CA 1.582 57.364 55.803 -0.036 0.000 0.844 153 Q CB -0.127 28.591 28.738 -0.034 0.000 0.898 153 Q HN 0.479 nan 8.270 nan 0.000 0.426 154 E N 0.214 120.416 120.200 0.004 0.000 2.077 154 E HA -0.177 4.178 4.350 0.009 0.000 0.193 154 E C 1.938 178.555 176.600 0.028 0.000 0.989 154 E CA 1.129 57.547 56.400 0.031 0.000 0.800 154 E CB 0.218 29.954 29.700 0.061 0.000 0.746 154 E HN 0.144 nan 8.360 nan 0.000 0.452 155 V N 1.268 121.173 119.914 -0.015 0.000 2.379 155 V HA -0.212 3.913 4.120 0.009 0.000 0.245 155 V C 2.056 178.076 176.094 -0.124 0.000 1.044 155 V CA 1.939 64.168 62.300 -0.118 0.000 1.036 155 V CB -0.435 31.205 31.823 -0.305 0.000 0.664 155 V HN 0.268 nan 8.190 nan 0.000 0.453 156 E N 0.427 120.573 120.200 -0.090 0.000 2.077 156 E HA -0.190 4.165 4.350 0.009 0.000 0.193 156 E C 2.337 178.923 176.600 -0.024 0.000 0.989 156 E CA 1.289 57.651 56.400 -0.063 0.000 0.800 156 E CB -0.324 29.345 29.700 -0.051 0.000 0.746 156 E HN 0.596 nan 8.360 nan 0.000 0.452 157 A N 1.671 124.486 122.820 -0.008 0.000 1.858 157 A HA -0.287 4.039 4.320 0.009 0.000 0.216 157 A C 2.110 179.713 177.584 0.032 0.000 1.190 157 A CA 1.861 53.905 52.037 0.012 0.000 0.617 157 A CB -0.611 18.400 19.000 0.018 0.000 0.827 157 A HN 0.286 nan 8.150 nan 0.000 0.443 158 E N -0.355 119.876 120.200 0.052 0.000 2.085 158 E HA -0.154 4.201 4.350 0.009 0.000 0.194 158 E C 1.750 178.406 176.600 0.092 0.000 0.994 158 E CA 1.612 58.069 56.400 0.094 0.000 0.801 158 E CB -0.161 29.632 29.700 0.156 0.000 0.743 158 E HN 0.296 nan 8.360 nan 0.000 0.453 159 V N 0.865 120.819 119.914 0.066 0.000 2.626 159 V HA -0.182 3.943 4.120 0.009 0.000 0.252 159 V C 2.316 178.434 176.094 0.040 0.000 1.067 159 V CA 1.480 63.818 62.300 0.062 0.000 1.081 159 V CB -0.488 31.349 31.823 0.023 0.000 0.686 159 V HN 0.450 nan 8.190 nan 0.000 0.468 160 A N 0.710 123.546 122.820 0.027 0.000 1.930 160 A HA -0.155 4.170 4.320 0.009 0.000 0.217 160 A C 2.450 180.050 177.584 0.028 0.000 1.175 160 A CA 2.081 54.131 52.037 0.021 0.000 0.627 160 A CB -0.451 18.556 19.000 0.013 0.000 0.815 160 A HN 0.668 nan 8.150 nan 0.000 0.443 161 S N -1.811 113.912 115.700 0.038 0.000 2.503 161 S HA -0.003 4.473 4.470 0.009 0.000 0.215 161 S C 1.454 176.082 174.600 0.047 0.000 1.003 161 S CA 1.224 59.448 58.200 0.039 0.000 0.910 161 S CB -0.275 62.949 63.200 0.040 0.000 0.790 161 S HN 0.740 nan 8.310 nan 0.000 0.514 162 T N -4.105 110.484 114.554 0.058 0.000 2.958 162 T HA 0.557 4.913 4.350 0.009 0.000 0.256 162 T C 1.592 176.323 174.700 0.052 0.000 0.983 162 T CA 0.782 62.919 62.100 0.063 0.000 0.924 162 T CB 0.247 69.171 68.868 0.092 0.000 1.136 162 T HN 1.126 nan 8.240 nan 0.000 0.506 163 G N 0.421 109.251 108.800 0.050 0.000 2.217 163 G HA2 -0.198 3.767 3.960 0.009 0.000 0.246 163 G HA3 -0.198 3.767 3.960 0.009 0.000 0.246 163 G C 0.230 175.159 174.900 0.048 0.000 0.990 163 G CA 0.608 45.732 45.100 0.040 0.000 0.627 163 G HN 0.994 nan 8.290 nan 0.000 0.522 164 T N -1.262 113.329 114.554 0.061 0.000 2.618 164 T HA 0.768 5.123 4.350 0.009 0.000 0.286 164 T C -1.030 173.763 174.700 0.155 0.000 1.027 164 T CA 0.487 62.624 62.100 0.061 0.000 1.063 164 T CB 1.491 70.311 68.868 -0.081 0.000 1.440 164 T HN 1.547 nan 8.240 nan 0.000 0.505 165 Y N -1.059 119.137 120.300 -0.173 0.000 2.750 165 Y HA 0.783 5.339 4.550 0.009 0.000 0.335 165 Y C -1.711 173.981 175.900 -0.346 0.000 1.252 165 Y CA -1.241 56.790 58.100 -0.115 0.000 1.064 165 Y CB 0.795 39.253 38.460 -0.003 0.000 1.321 165 Y HN 0.772 nan 8.280 nan 0.000 0.451 166 H N 0.742 119.819 119.070 0.011 0.000 2.690 166 H HA 0.653 5.215 4.556 0.009 0.000 0.368 166 H C -1.101 174.245 175.328 0.030 0.000 1.150 166 H CA -0.833 55.163 56.048 -0.085 0.000 1.174 166 H CB 2.069 31.833 29.762 0.003 0.000 1.684 166 H HN 0.693 nan 8.280 nan 0.000 0.538 167 L N 2.328 123.606 121.223 0.092 0.000 2.334 167 L HA 0.455 4.801 4.340 0.009 0.000 0.277 167 L C 0.662 177.598 176.870 0.110 0.000 1.075 167 L CA -0.683 54.237 54.840 0.133 0.000 0.804 167 L CB 0.840 42.947 42.059 0.080 0.000 1.174 167 L HN 0.440 nan 8.230 nan 0.000 0.438 168 R N 1.096 121.643 120.500 0.078 0.000 2.726 168 R HA 0.022 4.367 4.340 0.009 0.000 0.272 168 R C 1.094 177.389 176.300 -0.009 0.000 1.097 168 R CA -0.376 55.741 56.100 0.029 0.000 1.198 168 R CB 0.695 30.993 30.300 -0.003 0.000 1.114 168 R HN 0.678 nan 8.270 nan 0.000 0.550 169 E N 0.988 121.182 120.200 -0.010 0.000 2.021 169 E HA -0.265 4.091 4.350 0.009 0.000 0.200 169 E C 1.647 178.229 176.600 -0.031 0.000 1.015 169 E CA 2.402 58.789 56.400 -0.021 0.000 0.824 169 E CB -0.028 29.665 29.700 -0.012 0.000 0.762 169 E HN 0.678 nan 8.360 nan 0.000 0.454 170 S N 0.147 115.829 115.700 -0.030 0.000 2.419 170 S HA -0.189 4.287 4.470 0.009 0.000 0.235 170 S C 1.684 176.251 174.600 -0.054 0.000 1.019 170 S CA 1.389 59.589 58.200 0.001 0.000 0.982 170 S CB -0.365 62.869 63.200 0.058 0.000 0.789 170 S HN 0.350 nan 8.310 nan 0.000 0.490 171 E N 0.832 120.889 120.200 -0.238 0.000 2.072 171 E HA -0.028 4.328 4.350 0.009 0.000 0.190 171 E C 2.038 178.740 176.600 0.171 0.000 0.982 171 E CA 1.005 57.266 56.400 -0.232 0.000 0.803 171 E CB -0.333 29.257 29.700 -0.183 0.000 0.755 171 E HN 0.452 nan 8.360 nan 0.000 0.453 172 L N 1.074 122.319 121.223 0.036 0.000 2.046 172 L HA -0.154 4.192 4.340 0.009 0.000 0.208 172 L C 2.231 179.085 176.870 -0.028 0.000 1.077 172 L CA 1.380 56.190 54.840 -0.050 0.000 0.747 172 L CB -0.332 41.641 42.059 -0.143 0.000 0.896 172 L HN -0.075 nan 8.230 nan 0.000 0.432 173 V N -0.382 119.544 119.914 0.019 0.000 2.343 173 V HA -0.313 3.812 4.120 0.009 0.000 0.247 173 V C 2.340 178.518 176.094 0.140 0.000 1.051 173 V CA 2.140 64.465 62.300 0.040 0.000 1.036 173 V CB -0.959 30.891 31.823 0.044 0.000 0.654 173 V HN 0.591 nan 8.190 nan 0.000 0.451 174 F N 2.115 122.134 119.950 0.115 0.000 2.102 174 F HA -0.041 4.491 4.527 0.008 0.000 0.298 174 F C 2.164 178.094 175.800 0.217 0.000 1.105 174 F CA 1.796 59.919 58.000 0.204 0.000 1.239 174 F CB -0.935 38.252 39.000 0.311 0.000 0.991 174 F HN 0.120 nan 8.300 nan 0.000 0.474 175 G N -0.231 108.617 108.800 0.079 0.000 2.408 175 G HA2 -0.176 3.789 3.960 0.009 0.000 0.217 175 G HA3 -0.176 3.789 3.960 0.009 0.000 0.217 175 G C 1.818 176.574 174.900 -0.240 0.000 1.150 175 G CA 0.790 45.827 45.100 -0.105 0.000 0.776 175 G HN 0.652 nan 8.290 nan 0.000 0.542 176 A N 1.009 123.725 122.820 -0.174 0.000 1.877 176 A HA -0.026 4.300 4.320 0.009 0.000 0.216 176 A C 2.313 179.879 177.584 -0.029 0.000 1.186 176 A CA 1.971 53.909 52.037 -0.165 0.000 0.620 176 A CB -0.357 18.579 19.000 -0.105 0.000 0.822 176 A HN 0.377 nan 8.150 nan 0.000 0.443 177 K N -0.852 119.576 120.400 0.047 0.000 2.057 177 K HA -0.127 4.198 4.320 0.009 0.000 0.206 177 K C 2.286 178.953 176.600 0.112 0.000 1.050 177 K CA 1.253 57.681 56.287 0.236 0.000 0.935 177 K CB -0.158 32.525 32.500 0.306 0.000 0.715 177 K HN 0.371 nan 8.250 nan 0.000 0.439 178 Q N 0.364 120.037 119.800 -0.212 0.000 2.124 178 Q HA -0.095 4.250 4.340 0.009 0.000 0.202 178 Q C 2.201 178.061 176.000 -0.234 0.000 0.977 178 Q CA 1.537 57.125 55.803 -0.359 0.000 0.850 178 Q CB -0.322 28.065 28.738 -0.585 0.000 0.901 178 Q HN 0.330 nan 8.270 nan 0.000 0.429 179 A N 0.332 123.007 122.820 -0.242 0.000 1.883 179 A HA -0.201 4.124 4.320 0.009 0.000 0.217 179 A C 1.837 179.439 177.584 0.030 0.000 1.186 179 A CA 1.536 53.375 52.037 -0.330 0.000 0.624 179 A CB -1.034 17.419 19.000 -0.910 0.000 0.822 179 A HN 0.545 nan 8.150 nan 0.000 0.444 180 W N 0.878 122.192 121.300 0.023 0.000 2.354 180 W HA -0.142 4.522 4.660 0.007 0.000 0.315 180 W C 2.382 178.885 176.519 -0.027 0.000 1.206 180 W CA 1.617 59.027 57.345 0.108 0.000 1.290 180 W CB -0.863 28.659 29.460 0.103 0.000 1.152 180 W HN 0.381 nan 8.180 nan 0.000 0.489 181 R N 0.327 120.803 120.500 -0.040 0.000 2.133 181 R HA -0.220 4.126 4.340 0.009 0.000 0.247 181 R C 1.538 177.698 176.300 -0.234 0.000 1.151 181 R CA 1.981 57.834 56.100 -0.411 0.000 0.971 181 R CB -0.609 29.168 30.300 -0.873 0.000 0.866 181 R HN 0.115 nan 8.270 nan 0.000 0.447 182 N N 0.181 118.794 118.700 -0.145 0.000 2.461 182 N HA 0.026 4.772 4.740 0.009 0.000 0.188 182 N C -0.462 175.011 175.510 -0.061 0.000 1.134 182 N CA 0.633 53.618 53.050 -0.110 0.000 0.878 182 N CB 0.498 38.919 38.487 -0.109 0.000 0.972 182 N HN 0.184 nan 8.380 nan 0.000 0.456 183 A N 1.986 124.816 122.820 0.017 0.000 2.489 183 A HA 0.223 4.548 4.320 0.009 0.000 0.289 183 A C -1.213 176.354 177.584 -0.030 0.000 1.216 183 A CA -0.929 51.118 52.037 0.017 0.000 0.883 183 A CB 0.246 19.310 19.000 0.105 0.000 1.110 183 A HN 0.011 nan 8.150 nan 0.000 0.523 184 P HA -0.140 nan 4.420 nan 0.000 0.219 184 P C 1.111 178.354 177.300 -0.095 0.000 1.146 184 P CA 1.229 64.265 63.100 -0.106 0.000 0.808 184 P CB 0.162 31.768 31.700 -0.157 0.000 0.779 185 R N -2.438 117.977 120.500 -0.143 0.000 2.334 185 R HA 0.162 4.508 4.340 0.009 0.000 0.216 185 R C 0.295 176.602 176.300 0.012 0.000 0.905 185 R CA -0.151 55.886 56.100 -0.105 0.000 1.064 185 R CB -0.302 29.736 30.300 -0.436 0.000 1.046 185 R HN 0.172 nan 8.270 nan 0.000 0.508 186 C N 0.794 120.087 119.300 -0.011 0.000 2.325 186 C HA 0.214 4.679 4.460 0.009 0.000 0.347 186 C C 1.867 176.811 174.990 -0.077 0.000 1.263 186 C CA -0.582 58.454 59.018 0.030 0.000 1.806 186 C CB 0.556 28.385 27.740 0.149 0.000 2.405 186 C HN 0.273 nan 8.230 nan 0.000 0.537 187 V N 6.032 125.864 119.914 -0.137 0.000 3.541 187 V HA 0.233 4.358 4.120 0.009 0.000 0.267 187 V C 1.752 177.849 176.094 0.004 0.000 1.213 187 V CA 1.885 64.000 62.300 -0.309 0.000 1.149 187 V CB -0.049 31.607 31.823 -0.279 0.000 0.822 187 V HN 1.071 nan 8.190 nan 0.000 0.462 188 G N -0.574 108.274 108.800 0.080 0.000 3.448 188 G HA2 0.050 4.015 3.960 0.009 0.000 0.261 188 G HA3 0.050 4.015 3.960 0.009 0.000 0.261 188 G C 1.202 176.160 174.900 0.096 0.000 1.173 188 G CA -0.344 44.831 45.100 0.126 0.000 0.835 188 G HN 0.425 nan 8.290 nan 0.000 0.534 189 R N -0.224 120.249 120.500 -0.046 0.000 2.341 189 R HA 0.103 4.448 4.340 0.009 0.000 0.213 189 R C 1.959 177.877 176.300 -0.636 0.000 1.082 189 R CA 0.190 55.993 56.100 -0.496 0.000 1.017 189 R CB -0.143 29.811 30.300 -0.577 0.000 0.860 189 R HN 0.457 nan 8.270 nan 0.000 0.473 190 I N 0.791 121.177 120.570 -0.306 0.000 2.756 190 I HA -0.226 3.949 4.170 0.009 0.000 0.262 190 I C 1.321 177.389 176.117 -0.082 0.000 1.225 190 I CA 1.176 62.454 61.300 -0.037 0.000 1.472 190 I CB 0.180 38.239 38.000 0.098 0.000 1.094 190 I HN 0.192 nan 8.210 nan 0.000 0.454 191 Q N 0.457 120.136 119.800 -0.202 0.000 2.360 191 Q HA -0.100 4.245 4.340 0.009 0.000 0.202 191 Q C 1.645 177.233 176.000 -0.687 0.000 0.915 191 Q CA 0.388 56.049 55.803 -0.236 0.000 0.943 191 Q CB -0.209 28.554 28.738 0.042 0.000 1.064 191 Q HN 0.779 nan 8.270 nan 0.000 0.511 192 W N 0.526 121.102 121.300 -1.208 0.000 2.292 192 W HA -0.211 4.456 4.660 0.012 0.000 0.304 192 W C 1.201 177.397 176.519 -0.539 0.000 1.228 192 W CA 1.363 57.830 57.345 -1.464 0.000 1.241 192 W CB -1.410 27.439 29.460 -1.019 0.000 1.142 192 W HN 0.095 nan 8.180 nan 0.000 0.520 193 G N 1.136 109.142 108.800 -1.323 0.000 2.534 193 G HA2 -0.193 3.772 3.960 0.009 0.000 0.217 193 G HA3 -0.193 3.772 3.960 0.009 0.000 0.217 193 G C 0.817 175.469 174.900 -0.414 0.000 1.128 193 G CA 0.224 44.660 45.100 -1.106 0.000 0.784 193 G HN 0.277 nan 8.290 nan 0.000 0.542 194 K N 0.158 120.423 120.400 -0.225 0.000 2.357 194 K HA 0.525 4.851 4.320 0.009 0.000 0.251 194 K C -1.698 175.016 176.600 0.190 0.000 1.069 194 K CA -0.695 55.587 56.287 -0.008 0.000 0.994 194 K CB 0.440 32.958 32.500 0.031 0.000 1.411 194 K HN 0.061 nan 8.250 nan 0.000 0.450 195 L N 3.378 124.691 121.223 0.151 0.000 2.476 195 L HA 0.303 4.648 4.340 0.009 0.000 0.269 195 L C -1.302 175.568 176.870 -0.001 0.000 0.965 195 L CA -0.411 54.533 54.840 0.173 0.000 0.845 195 L CB 1.907 44.145 42.059 0.299 0.000 1.259 195 L HN 0.483 nan 8.230 nan 0.000 0.403 196 Q N 3.474 123.225 119.800 -0.081 0.000 2.296 196 Q HA 0.444 4.790 4.340 0.009 0.000 0.263 196 Q C -1.503 174.216 176.000 -0.469 0.000 1.026 196 Q CA 0.031 55.621 55.803 -0.355 0.000 0.912 196 Q CB 0.986 29.405 28.738 -0.531 0.000 1.198 196 Q HN 0.504 nan 8.270 nan 0.000 0.407 197 V N 6.629 126.278 119.914 -0.442 0.000 2.318 197 V HA 0.334 4.459 4.120 0.009 0.000 0.271 197 V C -0.580 175.255 176.094 -0.432 0.000 1.030 197 V CA -0.534 61.565 62.300 -0.336 0.000 0.844 197 V CB -0.127 31.585 31.823 -0.186 0.000 1.015 197 V HN 0.627 nan 8.190 nan 0.000 0.460 198 F N 2.852 122.673 119.950 -0.215 0.000 2.404 198 F HA 0.344 4.875 4.527 0.005 0.000 0.358 198 F C 0.675 176.294 175.800 -0.301 0.000 1.120 198 F CA -0.621 57.236 58.000 -0.238 0.000 1.144 198 F CB 0.739 39.601 39.000 -0.229 0.000 1.133 198 F HN 0.406 nan 8.300 nan 0.000 0.495 199 D N 3.114 123.460 120.400 -0.090 0.000 2.295 199 D HA 0.439 5.084 4.640 0.009 0.000 0.248 199 D C -0.169 175.952 176.300 -0.299 0.000 1.154 199 D CA 0.042 53.928 54.000 -0.191 0.000 0.857 199 D CB 1.396 42.127 40.800 -0.115 0.000 1.117 199 D HN 0.632 nan 8.370 nan 0.000 0.468 200 A N 4.606 127.119 122.820 -0.512 0.000 2.674 200 A HA 0.172 4.498 4.320 0.009 0.000 0.286 200 A C 1.213 178.579 177.584 -0.363 0.000 0.980 200 A CA -0.428 51.142 52.037 -0.778 0.000 1.028 200 A CB 0.089 18.069 19.000 -1.700 0.000 1.199 200 A HN 0.563 nan 8.150 nan 0.000 0.499 201 R N 0.598 120.986 120.500 -0.188 0.000 2.323 201 R HA -0.037 4.309 4.340 0.009 0.000 0.198 201 R C 0.670 176.959 176.300 -0.018 0.000 0.988 201 R CA 1.084 57.142 56.100 -0.071 0.000 1.041 201 R CB 0.122 30.429 30.300 0.013 0.000 0.926 201 R HN 0.672 nan 8.270 nan 0.000 0.476 202 D N -0.796 119.613 120.400 0.015 0.000 2.389 202 D HA -0.067 4.579 4.640 0.009 0.000 0.206 202 D C 0.466 176.855 176.300 0.147 0.000 1.055 202 D CA -0.292 53.759 54.000 0.084 0.000 0.856 202 D CB -0.565 40.302 40.800 0.110 0.000 0.957 202 D HN -0.020 nan 8.370 nan 0.000 0.509 203 C N 2.447 121.854 119.300 0.177 0.000 2.517 203 C HA 0.232 4.698 4.460 0.009 0.000 0.403 203 C C 1.725 176.879 174.990 0.274 0.000 1.467 203 C CA 0.736 59.931 59.018 0.296 0.000 1.542 203 C CB -1.091 26.878 27.740 0.380 0.000 2.482 203 C HN 0.443 nan 8.230 nan 0.000 0.610 204 S N 2.907 118.786 115.700 0.299 0.000 2.629 204 S HA 0.299 4.775 4.470 0.009 0.000 0.236 204 S C 0.096 174.853 174.600 0.261 0.000 1.010 204 S CA 0.214 58.602 58.200 0.314 0.000 0.981 204 S CB -0.123 63.196 63.200 0.198 0.000 0.919 204 S HN 1.236 nan 8.310 nan 0.000 0.514 205 S N -0.357 115.496 115.700 0.255 0.000 2.570 205 S HA 0.795 5.270 4.470 0.009 0.000 0.270 205 S C 0.760 175.438 174.600 0.130 0.000 1.149 205 S CA -0.289 58.003 58.200 0.154 0.000 0.837 205 S CB 1.065 64.334 63.200 0.116 0.000 1.124 205 S HN 0.392 nan 8.310 nan 0.000 0.465 206 A N 0.874 123.742 122.820 0.081 0.000 1.972 206 A HA -0.076 4.250 4.320 0.009 0.000 0.219 206 A C 2.094 179.661 177.584 -0.029 0.000 1.169 206 A CA 2.170 54.242 52.037 0.059 0.000 0.635 206 A CB -1.121 17.967 19.000 0.147 0.000 0.810 206 A HN 0.932 nan 8.150 nan 0.000 0.446 207 Q N 0.144 120.001 119.800 0.095 0.000 2.119 207 Q HA -0.143 4.202 4.340 0.009 0.000 0.201 207 Q C 1.849 177.835 176.000 -0.023 0.000 0.972 207 Q CA 2.153 57.984 55.803 0.046 0.000 0.847 207 Q CB -0.341 28.514 28.738 0.195 0.000 0.903 207 Q HN 0.734 nan 8.270 nan 0.000 0.433 208 E N -0.780 119.445 120.200 0.041 0.000 2.152 208 E HA -0.123 4.233 4.350 0.009 0.000 0.192 208 E C 1.838 178.514 176.600 0.128 0.000 0.983 208 E CA 0.880 57.315 56.400 0.058 0.000 0.818 208 E CB -0.043 29.736 29.700 0.132 0.000 0.758 208 E HN 0.464 nan 8.360 nan 0.000 0.467 209 M N -0.269 119.373 119.600 0.071 0.000 2.159 209 M HA -0.141 4.345 4.480 0.009 0.000 0.263 209 M C 2.044 178.362 176.300 0.029 0.000 1.063 209 M CA 1.333 56.629 55.300 -0.008 0.000 1.110 209 M CB -0.253 32.154 32.600 -0.322 0.000 1.374 209 M HN 0.207 nan 8.290 nan 0.000 0.411 210 F N 0.750 120.481 119.950 -0.364 0.000 2.146 210 F HA -0.206 4.328 4.527 0.011 0.000 0.298 210 F C 2.229 177.913 175.800 -0.193 0.000 1.096 210 F CA 1.591 59.327 58.000 -0.440 0.000 1.275 210 F CB -0.122 38.274 39.000 -1.007 0.000 1.008 210 F HN 0.032 nan 8.300 nan 0.000 0.480 211 T N -0.337 114.075 114.554 -0.237 0.000 2.674 211 T HA -0.247 4.108 4.350 0.009 0.000 0.265 211 T C 1.617 176.161 174.700 -0.259 0.000 1.039 211 T CA 1.936 63.856 62.100 -0.300 0.000 1.150 211 T CB -0.885 67.838 68.868 -0.242 0.000 0.864 211 T HN 0.363 nan 8.240 nan 0.000 0.427 212 Y N 1.025 121.268 120.300 -0.095 0.000 2.114 212 Y HA -0.139 4.415 4.550 0.007 0.000 0.282 212 Y C 2.392 178.220 175.900 -0.120 0.000 1.165 212 Y CA 0.942 58.996 58.100 -0.076 0.000 1.148 212 Y CB -0.387 38.146 38.460 0.121 0.000 0.972 212 Y HN 0.150 nan 8.280 nan 0.000 0.504 213 I N -1.404 119.231 120.570 0.107 0.000 2.226 213 I HA -0.375 3.800 4.170 0.009 0.000 0.245 213 I C 2.345 178.384 176.117 -0.130 0.000 1.100 213 I CA 0.982 62.277 61.300 -0.008 0.000 1.374 213 I CB -0.547 37.443 38.000 -0.017 0.000 1.057 213 I HN 0.354 nan 8.210 nan 0.000 0.413 214 C N 0.699 119.808 119.300 -0.319 0.000 2.425 214 C HA -0.116 4.349 4.460 0.009 0.000 0.277 214 C C 2.625 177.507 174.990 -0.180 0.000 1.280 214 C CA 0.762 59.584 59.018 -0.325 0.000 1.744 214 C CB -1.360 26.065 27.740 -0.524 0.000 1.989 214 C HN 0.545 nan 8.230 nan 0.000 0.491 215 N N -0.121 118.465 118.700 -0.191 0.000 2.188 215 N HA -0.125 4.621 4.740 0.009 0.000 0.184 215 N C 1.416 176.806 175.510 -0.200 0.000 1.018 215 N CA 1.299 54.231 53.050 -0.198 0.000 0.858 215 N CB -0.692 37.629 38.487 -0.277 0.000 0.989 215 N HN 0.736 nan 8.380 nan 0.000 0.426 216 H N 1.108 119.999 119.070 -0.298 0.000 2.267 216 H HA 0.035 4.598 4.556 0.011 0.000 0.297 216 H C 2.180 177.508 175.328 -0.000 0.000 1.080 216 H CA 1.848 57.778 56.048 -0.197 0.000 1.278 216 H CB -0.149 29.540 29.762 -0.122 0.000 1.365 216 H HN 0.057 nan 8.280 nan 0.000 0.489 217 I N 0.614 121.308 120.570 0.206 0.000 2.151 217 I HA -0.322 3.853 4.170 0.009 0.000 0.243 217 I C 2.438 178.607 176.117 0.087 0.000 1.080 217 I CA 1.621 63.007 61.300 0.143 0.000 1.339 217 I CB -0.359 37.663 38.000 0.037 0.000 1.039 217 I HN 0.360 nan 8.210 nan 0.000 0.409 218 K N -0.048 120.377 120.400 0.041 0.000 2.002 218 K HA -0.245 4.080 4.320 0.009 0.000 0.209 218 K C 2.261 178.899 176.600 0.063 0.000 1.048 218 K CA 1.892 58.198 56.287 0.032 0.000 0.930 218 K CB -0.455 32.048 32.500 0.004 0.000 0.714 218 K HN 0.261 nan 8.250 nan 0.000 0.438 219 Y N 1.269 121.565 120.300 -0.008 0.000 2.163 219 Y HA -0.213 4.339 4.550 0.003 0.000 0.288 219 Y C 2.188 178.125 175.900 0.062 0.000 1.136 219 Y CA 1.496 59.628 58.100 0.053 0.000 1.147 219 Y CB -0.298 38.258 38.460 0.159 0.000 0.987 219 Y HN 0.050 nan 8.280 nan 0.000 0.509 220 A N -0.976 121.962 122.820 0.196 0.000 1.930 220 A HA -0.120 4.205 4.320 0.009 0.000 0.217 220 A C 2.188 179.820 177.584 0.080 0.000 1.175 220 A CA 2.039 54.160 52.037 0.140 0.000 0.627 220 A CB -1.184 17.913 19.000 0.161 0.000 0.815 220 A HN 0.496 nan 8.150 nan 0.000 0.443 221 T N -0.127 114.470 114.554 0.073 0.000 2.812 221 T HA -0.091 4.264 4.350 0.009 0.000 0.264 221 T C 1.091 175.797 174.700 0.010 0.000 1.042 221 T CA 1.122 63.261 62.100 0.065 0.000 1.140 221 T CB -0.423 68.481 68.868 0.060 0.000 0.870 221 T HN 0.642 nan 8.240 nan 0.000 0.445 222 N N 1.338 120.012 118.700 -0.043 0.000 2.702 222 N HA -0.266 4.480 4.740 0.009 0.000 0.255 222 N C -0.242 175.239 175.510 -0.048 0.000 0.983 222 N CA 0.478 53.476 53.050 -0.086 0.000 0.768 222 N CB -1.258 37.133 38.487 -0.160 0.000 0.918 222 N HN 0.454 nan 8.380 nan 0.000 0.540 223 R N -2.225 118.260 120.500 -0.025 0.000 3.627 223 R HA -0.224 4.122 4.340 0.009 0.000 0.281 223 R C 1.267 177.554 176.300 -0.022 0.000 1.140 223 R CA 1.104 57.191 56.100 -0.021 0.000 0.761 223 R CB -1.962 28.322 30.300 -0.028 0.000 1.181 223 R HN 0.963 nan 8.270 nan 0.000 0.472 224 G N -0.298 108.499 108.800 -0.005 0.000 2.259 224 G HA2 -0.316 3.650 3.960 0.009 0.000 0.217 224 G HA3 -0.316 3.650 3.960 0.009 0.000 0.217 224 G C -0.029 174.868 174.900 -0.005 0.000 1.001 224 G CA 0.065 45.165 45.100 -0.001 0.000 0.627 224 G HN 0.386 nan 8.290 nan 0.000 0.501 225 N N 1.418 120.101 118.700 -0.027 0.000 3.229 225 N HA 0.479 5.225 4.740 0.009 0.000 0.275 225 N C 0.435 175.928 175.510 -0.028 0.000 1.225 225 N CA -0.503 52.514 53.050 -0.054 0.000 1.119 225 N CB -0.306 38.141 38.487 -0.067 0.000 1.392 225 N HN 0.218 nan 8.380 nan 0.000 0.520 226 L N 1.619 122.861 121.223 0.033 0.000 2.543 226 L HA 0.051 4.397 4.340 0.009 0.000 0.285 226 L C 0.815 177.825 176.870 0.233 0.000 1.236 226 L CA 1.073 56.007 54.840 0.157 0.000 0.871 226 L CB 0.119 42.365 42.059 0.312 0.000 1.121 226 L HN 0.348 nan 8.230 nan 0.000 0.501 227 R N 1.389 122.024 120.500 0.226 0.000 2.532 227 R HA 0.424 4.770 4.340 0.009 0.000 0.297 227 R C -0.604 175.854 176.300 0.264 0.000 0.984 227 R CA -0.657 55.597 56.100 0.257 0.000 0.884 227 R CB 1.667 32.002 30.300 0.059 0.000 1.182 227 R HN 0.584 nan 8.270 nan 0.000 0.442 228 S N 1.550 117.395 115.700 0.242 0.000 2.549 228 S HA 0.419 4.895 4.470 0.009 0.000 0.286 228 S C -0.184 174.456 174.600 0.068 0.000 1.314 228 S CA -0.108 58.124 58.200 0.053 0.000 1.062 228 S CB 1.093 64.269 63.200 -0.040 0.000 0.865 228 S HN 0.702 nan 8.310 nan 0.000 0.498 229 A N 2.627 125.454 122.820 0.010 0.000 2.610 229 A HA 0.838 5.164 4.320 0.009 0.000 0.291 229 A C -1.268 176.396 177.584 0.135 0.000 1.086 229 A CA -0.667 51.356 52.037 -0.023 0.000 0.677 229 A CB 1.219 20.145 19.000 -0.124 0.000 1.278 229 A HN 0.797 nan 8.150 nan 0.000 0.414 230 I N 0.243 120.909 120.570 0.160 0.000 2.752 230 I HA 0.630 4.806 4.170 0.009 0.000 0.295 230 I C -1.302 174.953 176.117 0.230 0.000 1.219 230 I CA -0.142 61.329 61.300 0.285 0.000 1.030 230 I CB 2.445 40.534 38.000 0.148 0.000 1.259 230 I HN 0.613 nan 8.210 nan 0.000 0.423 231 T N 6.149 120.798 114.554 0.158 0.000 2.809 231 T HA 0.458 4.813 4.350 0.009 0.000 0.284 231 T C -0.797 173.656 174.700 -0.411 0.000 0.992 231 T CA -0.364 61.658 62.100 -0.130 0.000 0.957 231 T CB 1.580 70.313 68.868 -0.226 0.000 0.942 231 T HN 0.258 nan 8.240 nan 0.000 0.439 232 V N 5.078 124.700 119.914 -0.487 0.000 2.328 232 V HA 0.478 4.603 4.120 0.009 0.000 0.278 232 V C -0.417 175.361 176.094 -0.527 0.000 1.021 232 V CA -0.779 61.240 62.300 -0.467 0.000 0.838 232 V CB 0.030 31.540 31.823 -0.523 0.000 0.999 232 V HN 0.708 nan 8.190 nan 0.000 0.447 233 F N 5.182 125.037 119.950 -0.160 0.000 2.362 233 F HA 0.503 5.036 4.527 0.011 0.000 0.311 233 F C -1.808 173.876 175.800 -0.193 0.000 1.161 233 F CA -2.504 55.327 58.000 -0.282 0.000 1.085 233 F CB 0.152 38.974 39.000 -0.297 0.000 1.311 233 F HN 0.290 nan 8.300 nan 0.000 0.524 234 P HA -0.028 nan 4.420 nan 0.000 0.263 234 P C -0.991 176.321 177.300 0.020 0.000 1.175 234 P CA 0.008 63.010 63.100 -0.163 0.000 0.761 234 P CB 0.147 31.613 31.700 -0.390 0.000 0.794 235 Q N 3.424 123.177 119.800 -0.078 0.000 2.492 235 Q HA 0.160 4.506 4.340 0.009 0.000 0.238 235 Q C -0.283 175.621 176.000 -0.161 0.000 1.045 235 Q CA -0.411 55.136 55.803 -0.428 0.000 0.934 235 Q CB 0.511 28.708 28.738 -0.901 0.000 1.276 235 Q HN 0.328 nan 8.270 nan 0.000 0.521 236 R N 0.184 120.572 120.500 -0.186 0.000 2.537 236 R HA 0.362 4.707 4.340 0.009 0.000 0.280 236 R C -0.580 175.669 176.300 -0.085 0.000 1.058 236 R CA 0.336 56.394 56.100 -0.070 0.000 1.057 236 R CB 0.519 30.771 30.300 -0.080 0.000 0.973 236 R HN 0.682 nan 8.270 nan 0.000 0.438 237 A N 4.559 127.368 122.820 -0.018 0.000 2.356 237 A HA 0.552 4.877 4.320 0.009 0.000 0.323 237 A C -2.380 175.200 177.584 -0.008 0.000 1.119 237 A CA -2.150 49.879 52.037 -0.014 0.000 0.790 237 A CB 0.946 19.967 19.000 0.036 0.000 1.273 237 A HN 0.434 nan 8.150 nan 0.000 0.452 238 P HA 0.128 nan 4.420 nan 0.000 0.257 238 P C 1.105 178.409 177.300 0.006 0.000 1.162 238 P CA 2.155 65.254 63.100 -0.001 0.000 0.762 238 P CB 0.276 31.980 31.700 0.007 0.000 0.753 239 G N 2.469 111.271 108.800 0.003 0.000 2.256 239 G HA2 -0.339 3.627 3.960 0.009 0.000 0.279 239 G HA3 -0.339 3.627 3.960 0.009 0.000 0.279 239 G C 0.472 175.377 174.900 0.008 0.000 0.998 239 G CA 0.259 45.362 45.100 0.005 0.000 0.720 239 G HN 0.688 nan 8.290 nan 0.000 0.521 240 R N 0.327 120.833 120.500 0.010 0.000 2.643 240 R HA 0.554 4.899 4.340 0.009 0.000 0.272 240 R C 1.019 177.322 176.300 0.005 0.000 0.995 240 R CA -0.032 56.075 56.100 0.012 0.000 1.032 240 R CB 0.593 30.909 30.300 0.026 0.000 1.126 240 R HN 0.229 nan 8.270 nan 0.000 0.505 241 G N 1.683 110.477 108.800 -0.010 0.000 2.554 241 G HA2 0.013 3.979 3.960 0.009 0.000 0.238 241 G HA3 0.013 3.979 3.960 0.009 0.000 0.238 241 G C -0.603 174.282 174.900 -0.025 0.000 1.259 241 G CA -0.345 44.741 45.100 -0.023 0.000 0.843 241 G HN 0.598 nan 8.290 nan 0.000 0.582 242 D N -0.264 120.136 120.400 0.000 0.000 2.312 242 D HA 0.338 4.983 4.640 0.009 0.000 0.248 242 D C -0.312 176.007 176.300 0.033 0.000 1.086 242 D CA 0.035 54.070 54.000 0.059 0.000 0.948 242 D CB 0.949 41.790 40.800 0.068 0.000 1.162 242 D HN 0.134 nan 8.370 nan 0.000 0.446 243 F N 1.290 121.269 119.950 0.049 0.000 2.411 243 F HA 0.346 4.879 4.527 0.010 0.000 0.355 243 F C 0.862 176.695 175.800 0.056 0.000 1.117 243 F CA -0.156 57.862 58.000 0.030 0.000 1.139 243 F CB 0.703 39.718 39.000 0.025 0.000 1.120 243 F HN -0.205 nan 8.300 nan 0.000 0.493 244 R N 4.152 124.774 120.500 0.203 0.000 2.725 244 R HA 0.542 4.888 4.340 0.009 0.000 0.277 244 R C -1.226 175.230 176.300 0.261 0.000 0.987 244 R CA -0.844 55.391 56.100 0.225 0.000 0.901 244 R CB 2.367 32.803 30.300 0.228 0.000 1.207 244 R HN 0.619 nan 8.270 nan 0.000 0.463 245 I N 2.049 122.765 120.570 0.243 0.000 2.354 245 I HA 0.164 4.339 4.170 0.009 0.000 0.286 245 I C 0.481 176.811 176.117 0.355 0.000 1.007 245 I CA -0.505 60.938 61.300 0.239 0.000 1.167 245 I CB 1.218 39.302 38.000 0.139 0.000 1.320 245 I HN 0.517 nan 8.210 nan 0.000 0.458 246 W N 3.535 124.885 121.300 0.083 0.000 2.358 246 W HA -0.111 4.554 4.660 0.009 0.000 0.303 246 W C 1.008 177.639 176.519 0.186 0.000 1.208 246 W CA 0.263 57.721 57.345 0.188 0.000 1.274 246 W CB -0.860 28.697 29.460 0.162 0.000 1.138 246 W HN 0.416 nan 8.180 nan 0.000 0.515 247 N N 0.206 119.082 118.700 0.294 0.000 2.441 247 N HA 0.012 4.758 4.740 0.009 0.000 0.251 247 N C 1.289 176.870 175.510 0.120 0.000 1.242 247 N CA 0.879 54.022 53.050 0.155 0.000 0.898 247 N CB 0.619 39.131 38.487 0.041 0.000 1.100 247 N HN -0.068 nan 8.380 nan 0.000 0.443 248 S N 0.694 116.456 115.700 0.102 0.000 2.453 248 S HA -0.058 4.418 4.470 0.009 0.000 0.231 248 S C 0.333 174.937 174.600 0.007 0.000 1.005 248 S CA 0.698 58.942 58.200 0.073 0.000 0.949 248 S CB 0.035 63.296 63.200 0.101 0.000 0.774 248 S HN 0.663 nan 8.310 nan 0.000 0.510 249 Q N -0.791 118.997 119.800 -0.019 0.000 2.416 249 Q HA 0.489 4.834 4.340 0.009 0.000 0.281 249 Q C 0.153 176.074 176.000 -0.133 0.000 1.067 249 Q CA -0.563 55.188 55.803 -0.087 0.000 0.809 249 Q CB 1.936 30.647 28.738 -0.045 0.000 1.418 249 Q HN 0.120 nan 8.270 nan 0.000 0.411 250 L N 0.213 121.332 121.223 -0.173 0.000 2.191 250 L HA -0.001 4.344 4.340 0.009 0.000 0.212 250 L C 0.353 177.074 176.870 -0.247 0.000 1.103 250 L CA 0.866 55.603 54.840 -0.172 0.000 0.769 250 L CB 0.085 42.041 42.059 -0.172 0.000 0.908 250 L HN 0.258 nan 8.230 nan 0.000 0.438 251 V N 0.671 120.345 119.914 -0.400 0.000 2.487 251 V HA 0.507 4.632 4.120 0.009 0.000 0.298 251 V C -0.318 175.312 176.094 -0.773 0.000 1.028 251 V CA -0.704 61.174 62.300 -0.704 0.000 0.860 251 V CB 1.846 32.981 31.823 -1.146 0.000 0.991 251 V HN 0.150 nan 8.190 nan 0.000 0.427 252 R N 2.928 123.076 120.500 -0.586 0.000 2.566 252 R HA 0.436 4.781 4.340 0.009 0.000 0.271 252 R C -1.883 174.242 176.300 -0.292 0.000 1.071 252 R CA -0.744 55.149 56.100 -0.346 0.000 0.915 252 R CB 2.271 32.486 30.300 -0.142 0.000 1.228 252 R HN 0.595 nan 8.270 nan 0.000 0.449 253 Y N 0.702 121.007 120.300 0.008 0.000 2.304 253 Y HA 0.404 4.960 4.550 0.010 0.000 0.328 253 Y C 1.076 176.944 175.900 -0.053 0.000 1.123 253 Y CA -0.394 57.718 58.100 0.020 0.000 1.218 253 Y CB 1.127 39.672 38.460 0.142 0.000 1.207 253 Y HN 0.682 nan 8.280 nan 0.000 0.495 254 A N 2.047 124.892 122.820 0.042 0.000 2.466 254 A HA 0.506 4.831 4.320 0.009 0.000 0.238 254 A C 0.664 178.019 177.584 -0.382 0.000 1.074 254 A CA 0.356 52.262 52.037 -0.218 0.000 0.774 254 A CB -0.249 18.566 19.000 -0.308 0.000 1.015 254 A HN 0.961 nan 8.150 nan 0.000 0.498 255 G N 0.544 109.101 108.800 -0.404 0.000 2.782 255 G HA2 0.533 4.499 3.960 0.009 0.000 0.289 255 G HA3 0.533 4.499 3.960 0.009 0.000 0.289 255 G C -0.979 173.767 174.900 -0.258 0.000 1.463 255 G CA -0.292 44.624 45.100 -0.306 0.000 1.019 255 G HN 0.567 nan 8.290 nan 0.000 0.536 256 Y N 1.600 121.918 120.300 0.029 0.000 2.367 256 Y HA 0.402 4.957 4.550 0.009 0.000 0.342 256 Y C 0.975 176.879 175.900 0.006 0.000 0.979 256 Y CA -1.090 57.027 58.100 0.028 0.000 1.161 256 Y CB 1.385 39.860 38.460 0.024 0.000 1.155 256 Y HN 0.485 nan 8.280 nan 0.000 0.503 257 R N 3.359 123.954 120.500 0.159 0.000 2.370 257 R HA 0.075 4.420 4.340 0.009 0.000 0.309 257 R C -0.397 175.948 176.300 0.076 0.000 1.059 257 R CA -0.065 56.086 56.100 0.086 0.000 0.981 257 R CB 0.289 30.629 30.300 0.065 0.000 0.972 257 R HN 0.561 nan 8.270 nan 0.000 0.437 258 Q N 2.837 122.668 119.800 0.052 0.000 2.249 258 Q HA 0.074 4.420 4.340 0.009 0.000 0.226 258 Q C 0.668 176.679 176.000 0.019 0.000 0.983 258 Q CA -0.315 55.508 55.803 0.033 0.000 0.930 258 Q CB 0.895 29.649 28.738 0.027 0.000 1.193 258 Q HN 0.665 nan 8.270 nan 0.000 0.508 259 Q N 0.540 120.345 119.800 0.009 0.000 2.050 259 Q HA -0.201 4.144 4.340 0.009 0.000 0.202 259 Q C 1.080 177.083 176.000 0.005 0.000 0.980 259 Q CA 1.940 57.745 55.803 0.004 0.000 0.840 259 Q CB -0.068 28.668 28.738 -0.003 0.000 0.898 259 Q HN 0.693 nan 8.270 nan 0.000 0.424 260 D N -1.368 119.035 120.400 0.005 0.000 2.392 260 D HA -0.006 4.639 4.640 0.009 0.000 0.228 260 D C 1.071 177.377 176.300 0.009 0.000 1.003 260 D CA 0.958 54.961 54.000 0.005 0.000 0.917 260 D CB -0.097 40.705 40.800 0.004 0.000 0.890 260 D HN 0.347 nan 8.370 nan 0.000 0.532 261 G N -0.468 108.339 108.800 0.012 0.000 2.213 261 G HA2 -0.298 3.668 3.960 0.009 0.000 0.236 261 G HA3 -0.298 3.668 3.960 0.009 0.000 0.236 261 G C 0.622 175.531 174.900 0.016 0.000 0.991 261 G CA 0.366 45.474 45.100 0.014 0.000 0.629 261 G HN 0.824 nan 8.290 nan 0.000 0.517 262 S N -0.801 114.907 115.700 0.014 0.000 2.625 262 S HA 0.725 5.200 4.470 0.009 0.000 0.258 262 S C 0.163 174.771 174.600 0.014 0.000 1.256 262 S CA 0.192 58.399 58.200 0.011 0.000 0.983 262 S CB 1.929 65.134 63.200 0.008 0.000 1.032 262 S HN 1.197 nan 8.310 nan 0.000 0.572 263 V N 0.635 120.549 119.914 -0.000 0.000 2.709 263 V HA 0.564 4.689 4.120 0.009 0.000 0.308 263 V C -0.179 175.901 176.094 -0.024 0.000 1.062 263 V CA -0.836 61.460 62.300 -0.007 0.000 0.901 263 V CB 1.685 33.483 31.823 -0.040 0.000 1.003 263 V HN 0.925 nan 8.190 nan 0.000 0.425 264 R N 2.319 122.833 120.500 0.022 0.000 2.338 264 R HA 0.694 5.040 4.340 0.009 0.000 0.317 264 R C 0.529 176.788 176.300 -0.069 0.000 0.968 264 R CA 0.854 56.968 56.100 0.023 0.000 0.849 264 R CB 1.203 31.590 30.300 0.146 0.000 1.128 264 R HN 1.239 nan 8.270 nan 0.000 0.448 265 G N 2.967 111.652 108.800 -0.192 0.000 2.464 265 G HA2 -0.242 3.723 3.960 0.009 0.000 0.216 265 G HA3 -0.242 3.723 3.960 0.009 0.000 0.216 265 G C -1.333 173.205 174.900 -0.602 0.000 1.186 265 G CA -0.089 44.829 45.100 -0.303 0.000 1.010 265 G HN 0.619 nan 8.290 nan 0.000 0.585 266 D N 1.635 121.795 120.400 -0.399 0.000 2.412 266 D HA 0.586 5.231 4.640 0.009 0.000 0.224 266 D C -1.099 175.087 176.300 -0.190 0.000 1.093 266 D CA -2.000 51.758 54.000 -0.402 0.000 0.850 266 D CB 1.560 42.437 40.800 0.127 0.000 1.046 266 D HN -0.024 nan 8.370 nan 0.000 0.507 267 P HA -0.124 nan 4.420 nan 0.000 0.218 267 P C 0.962 178.264 177.300 0.003 0.000 1.146 267 P CA 1.073 64.129 63.100 -0.074 0.000 0.813 267 P CB 0.270 31.937 31.700 -0.055 0.000 0.778 268 A N -0.451 122.391 122.820 0.035 0.000 2.019 268 A HA -0.153 4.173 4.320 0.009 0.000 0.219 268 A C 1.559 179.195 177.584 0.086 0.000 1.164 268 A CA 1.478 53.571 52.037 0.094 0.000 0.644 268 A CB -0.900 18.185 19.000 0.141 0.000 0.805 268 A HN 0.177 nan 8.150 nan 0.000 0.449 269 N N -0.313 118.419 118.700 0.055 0.000 2.321 269 N HA 0.179 4.924 4.740 0.009 0.000 0.242 269 N C 0.934 176.443 175.510 -0.003 0.000 1.141 269 N CA 0.084 53.155 53.050 0.035 0.000 0.864 269 N CB 0.780 39.286 38.487 0.032 0.000 1.100 269 N HN 0.196 nan 8.380 nan 0.000 0.510 270 V N 0.785 120.702 119.914 0.005 0.000 2.307 270 V HA -0.220 3.906 4.120 0.009 0.000 0.245 270 V C 2.445 178.543 176.094 0.006 0.000 1.045 270 V CA 1.789 64.091 62.300 0.003 0.000 1.024 270 V CB -0.192 31.640 31.823 0.016 0.000 0.651 270 V HN 0.390 nan 8.190 nan 0.000 0.449 271 E N -0.107 120.097 120.200 0.007 0.000 2.028 271 E HA -0.253 4.102 4.350 0.009 0.000 0.191 271 E C 2.139 178.664 176.600 -0.124 0.000 0.988 271 E CA 1.696 58.072 56.400 -0.041 0.000 0.799 271 E CB -0.219 29.485 29.700 0.006 0.000 0.755 271 E HN 0.452 nan 8.360 nan 0.000 0.447 272 I N 0.919 121.431 120.570 -0.097 0.000 2.454 272 I HA -0.210 3.965 4.170 0.009 0.000 0.254 272 I C 1.974 178.046 176.117 -0.075 0.000 1.156 272 I CA 1.514 62.741 61.300 -0.121 0.000 1.433 272 I CB -0.309 37.674 38.000 -0.028 0.000 1.082 272 I HN 0.135 nan 8.210 nan 0.000 0.432 273 T N 0.294 114.830 114.554 -0.030 0.000 2.737 273 T HA -0.133 4.222 4.350 0.009 0.000 0.265 273 T C 1.701 176.479 174.700 0.129 0.000 1.038 273 T CA 1.643 63.770 62.100 0.044 0.000 1.144 273 T CB -0.233 68.660 68.868 0.041 0.000 0.866 273 T HN 0.470 nan 8.240 nan 0.000 0.434 274 E N 0.891 121.135 120.200 0.075 0.000 2.153 274 E HA -0.028 4.328 4.350 0.009 0.000 0.194 274 E C 2.198 178.837 176.600 0.066 0.000 0.988 274 E CA 0.684 57.132 56.400 0.080 0.000 0.811 274 E CB -0.274 29.448 29.700 0.036 0.000 0.746 274 E HN 0.402 nan 8.360 nan 0.000 0.466 275 L N 0.332 121.554 121.223 -0.000 0.000 2.056 275 L HA -0.195 4.150 4.340 0.009 0.000 0.207 275 L C 2.531 179.488 176.870 0.146 0.000 1.078 275 L CA 0.738 55.598 54.840 0.034 0.000 0.749 275 L CB -0.283 41.691 42.059 -0.142 0.000 0.901 275 L HN 0.308 nan 8.230 nan 0.000 0.433 276 C N -0.209 119.136 119.300 0.075 0.000 2.425 276 C HA -0.133 4.333 4.460 0.009 0.000 0.277 276 C C 2.693 177.847 174.990 0.273 0.000 1.280 276 C CA 0.401 59.476 59.018 0.095 0.000 1.744 276 C CB -0.593 27.125 27.740 -0.038 0.000 1.989 276 C HN 0.418 nan 8.230 nan 0.000 0.491 277 I N 0.511 121.262 120.570 0.302 0.000 2.163 277 I HA -0.254 3.921 4.170 0.009 0.000 0.240 277 I C 2.620 178.811 176.117 0.124 0.000 1.081 277 I CA 1.530 62.974 61.300 0.239 0.000 1.353 277 I CB -0.726 37.386 38.000 0.186 0.000 1.054 277 I HN 0.430 nan 8.210 nan 0.000 0.407 278 Q N -0.104 119.753 119.800 0.096 0.000 2.308 278 Q HA -0.246 4.099 4.340 0.009 0.000 0.209 278 Q C 1.212 177.135 176.000 -0.128 0.000 0.985 278 Q CA 1.436 57.231 55.803 -0.013 0.000 0.881 278 Q CB -0.245 28.480 28.738 -0.021 0.000 0.917 278 Q HN 0.636 nan 8.270 nan 0.000 0.443 279 H N -1.760 117.299 119.070 -0.018 0.000 2.517 279 H HA 0.230 4.791 4.556 0.009 0.000 0.282 279 H C 0.836 176.140 175.328 -0.041 0.000 1.023 279 H CA 0.573 56.585 56.048 -0.060 0.000 1.169 279 H CB 0.878 30.560 29.762 -0.134 0.000 1.454 279 H HN 0.384 nan 8.280 nan 0.000 0.556 280 G N -0.444 108.397 108.800 0.068 0.000 2.184 280 G HA2 -0.245 3.720 3.960 0.009 0.000 0.206 280 G HA3 -0.245 3.720 3.960 0.009 0.000 0.206 280 G C -0.158 174.804 174.900 0.104 0.000 0.995 280 G CA -0.227 44.899 45.100 0.043 0.000 0.651 280 G HN 0.341 nan 8.290 nan 0.000 0.511 281 W N 2.689 123.970 121.300 -0.032 0.000 2.287 281 W HA 0.655 5.321 4.660 0.010 0.000 0.313 281 W C 0.236 176.748 176.519 -0.011 0.000 1.267 281 W CA 0.089 57.419 57.345 -0.026 0.000 1.201 281 W CB 0.882 30.336 29.460 -0.011 0.000 1.196 281 W HN 0.031 nan 8.180 nan 0.000 0.536 282 T N 9.771 123.955 114.554 -0.617 0.000 2.723 282 T HA 0.183 4.539 4.350 0.009 0.000 0.297 282 T C -2.058 171.857 174.700 -1.309 0.000 0.925 282 T CA -0.864 60.839 62.100 -0.662 0.000 1.030 282 T CB 0.399 69.032 68.868 -0.391 0.000 0.905 282 T HN 0.242 nan 8.240 nan 0.000 0.502 283 P HA 0.282 nan 4.420 nan 0.000 0.272 283 P C 0.377 177.265 177.300 -0.686 0.000 1.223 283 P CA -0.249 62.131 63.100 -1.199 0.000 0.784 283 P CB 0.922 32.322 31.700 -0.501 0.000 0.923 284 G N 0.863 109.432 108.800 -0.384 0.000 2.641 284 G HA2 0.324 4.290 3.960 0.009 0.000 0.239 284 G HA3 0.324 4.290 3.960 0.009 0.000 0.239 284 G C 0.080 174.725 174.900 -0.424 0.000 1.402 284 G CA -0.682 44.310 45.100 -0.181 0.000 1.046 284 G HN 0.764 nan 8.290 nan 0.000 0.565 285 N N -1.621 116.969 118.700 -0.183 0.000 2.286 285 N HA 0.242 4.988 4.740 0.009 0.000 0.245 285 N C 0.500 176.057 175.510 0.080 0.000 1.363 285 N CA -0.380 52.525 53.050 -0.243 0.000 0.822 285 N CB 0.815 39.178 38.487 -0.208 0.000 1.345 285 N HN 0.653 nan 8.380 nan 0.000 0.494 286 G N 0.505 109.456 108.800 0.252 0.000 2.535 286 G HA2 0.205 4.170 3.960 0.009 0.000 0.303 286 G HA3 0.205 4.170 3.960 0.009 0.000 0.303 286 G C 0.220 175.236 174.900 0.194 0.000 1.237 286 G CA -0.662 44.565 45.100 0.212 0.000 0.986 286 G HN 0.179 nan 8.290 nan 0.000 0.494 287 R N -1.269 119.251 120.500 0.034 0.000 2.254 287 R HA 0.211 4.556 4.340 0.009 0.000 0.195 287 R C -0.014 175.902 176.300 -0.640 0.000 0.957 287 R CA 0.283 56.234 56.100 -0.249 0.000 1.024 287 R CB 0.068 30.184 30.300 -0.308 0.000 0.952 287 R HN 0.415 nan 8.270 nan 0.000 0.484 288 F N 0.915 120.838 119.950 -0.044 0.000 2.688 288 F HA 0.283 4.816 4.527 0.009 0.000 0.376 288 F C -0.880 174.958 175.800 0.063 0.000 1.428 288 F CA -1.050 56.737 58.000 -0.355 0.000 1.156 288 F CB 0.770 39.399 39.000 -0.619 0.000 1.141 288 F HN -0.251 nan 8.300 nan 0.000 0.521 289 D N 1.545 122.140 120.400 0.325 0.000 2.312 289 D HA 0.170 4.816 4.640 0.009 0.000 0.252 289 D C 0.168 176.701 176.300 0.389 0.000 1.150 289 D CA 0.144 54.377 54.000 0.389 0.000 0.870 289 D CB 2.360 43.439 40.800 0.465 0.000 1.153 289 D HN -0.073 nan 8.370 nan 0.000 0.457 290 V N 4.034 124.124 119.914 0.293 0.000 2.470 290 V HA 0.046 4.171 4.120 0.009 0.000 0.276 290 V C 0.953 177.004 176.094 -0.071 0.000 1.040 290 V CA -0.381 61.962 62.300 0.073 0.000 1.008 290 V CB 0.252 32.088 31.823 0.022 0.000 0.990 290 V HN 0.327 nan 8.190 nan 0.000 0.477 291 L N 8.376 129.463 121.223 -0.227 0.000 2.464 291 L HA 0.334 4.679 4.340 0.009 0.000 0.264 291 L C -1.655 174.941 176.870 -0.457 0.000 1.199 291 L CA -1.273 53.269 54.840 -0.496 0.000 0.818 291 L CB 0.705 42.514 42.059 -0.416 0.000 1.102 291 L HN 0.474 nan 8.230 nan 0.000 0.473 292 P HA 0.275 nan 4.420 nan 0.000 0.280 292 P C -1.186 175.958 177.300 -0.260 0.000 1.272 292 P CA -0.572 62.286 63.100 -0.403 0.000 0.819 292 P CB 1.104 32.483 31.700 -0.534 0.000 1.122 293 L N 0.799 121.956 121.223 -0.110 0.000 2.307 293 L HA 0.403 4.748 4.340 0.009 0.000 0.282 293 L C 0.446 177.289 176.870 -0.045 0.000 1.051 293 L CA -0.787 54.032 54.840 -0.035 0.000 0.804 293 L CB 0.732 42.841 42.059 0.083 0.000 1.197 293 L HN 0.212 nan 8.230 nan 0.000 0.431 294 L N 5.120 126.294 121.223 -0.081 0.000 2.283 294 L HA 0.442 4.787 4.340 0.009 0.000 0.281 294 L C -0.623 176.146 176.870 -0.168 0.000 1.033 294 L CA -0.268 54.428 54.840 -0.239 0.000 0.848 294 L CB 0.832 42.636 42.059 -0.426 0.000 1.226 294 L HN 0.453 nan 8.230 nan 0.000 0.429 295 L N 3.921 125.103 121.223 -0.069 0.000 2.309 295 L HA 0.486 4.832 4.340 0.009 0.000 0.282 295 L C -0.162 176.664 176.870 -0.075 0.000 1.036 295 L CA -0.363 54.465 54.840 -0.019 0.000 0.806 295 L CB 1.626 43.692 42.059 0.011 0.000 1.220 295 L HN 0.548 nan 8.230 nan 0.000 0.429 296 Q N 2.798 122.586 119.800 -0.021 0.000 2.320 296 Q HA 0.629 4.974 4.340 0.009 0.000 0.268 296 Q C -1.018 174.920 176.000 -0.105 0.000 1.023 296 Q CA -0.543 55.246 55.803 -0.022 0.000 0.744 296 Q CB 1.926 30.760 28.738 0.161 0.000 1.246 296 Q HN 0.792 nan 8.270 nan 0.000 0.462 297 A N 4.845 127.548 122.820 -0.194 0.000 2.287 297 A HA 0.601 4.926 4.320 0.009 0.000 0.273 297 A C -2.368 174.934 177.584 -0.469 0.000 1.091 297 A CA -1.435 50.309 52.037 -0.488 0.000 0.817 297 A CB -0.061 18.761 19.000 -0.297 0.000 1.069 297 A HN 0.648 nan 8.150 nan 0.000 0.492 298 P HA 0.047 nan 4.420 nan 0.000 0.262 298 P C -0.584 176.617 177.300 -0.165 0.000 1.182 298 P CA 0.736 63.622 63.100 -0.356 0.000 0.761 298 P CB 0.142 31.645 31.700 -0.328 0.000 0.795 299 D N 0.145 120.494 120.400 -0.085 0.000 2.955 299 D HA -0.188 4.457 4.640 0.009 0.000 0.226 299 D C -0.136 176.150 176.300 -0.023 0.000 1.178 299 D CA 1.302 55.282 54.000 -0.033 0.000 0.808 299 D CB -0.575 40.210 40.800 -0.025 0.000 1.099 299 D HN 0.564 nan 8.370 nan 0.000 0.421 300 E N -0.664 119.516 120.200 -0.033 0.000 2.312 300 E HA 0.653 5.008 4.350 0.009 0.000 0.267 300 E C -0.076 176.525 176.600 0.002 0.000 0.894 300 E CA -0.798 55.589 56.400 -0.021 0.000 0.773 300 E CB 1.917 31.590 29.700 -0.045 0.000 1.241 300 E HN 0.121 nan 8.360 nan 0.000 0.432 301 A N 2.707 125.531 122.820 0.005 0.000 2.406 301 A HA 0.341 4.667 4.320 0.009 0.000 0.243 301 A C -2.056 175.477 177.584 -0.085 0.000 1.082 301 A CA -0.918 51.125 52.037 0.011 0.000 0.786 301 A CB -0.392 18.622 19.000 0.024 0.000 1.029 301 A HN 0.320 nan 8.150 nan 0.000 0.495 302 P HA 0.227 nan 4.420 nan 0.000 0.275 302 P C -0.742 176.366 177.300 -0.320 0.000 1.228 302 P CA 0.037 62.877 63.100 -0.434 0.000 0.786 302 P CB 0.837 31.848 31.700 -1.148 0.000 0.927 303 E N 0.897 120.969 120.200 -0.213 0.000 2.202 303 E HA 0.420 4.776 4.350 0.009 0.000 0.272 303 E C -0.757 175.645 176.600 -0.330 0.000 0.951 303 E CA -1.052 55.202 56.400 -0.242 0.000 0.813 303 E CB 1.337 30.946 29.700 -0.151 0.000 1.151 303 E HN 0.280 nan 8.360 nan 0.000 0.398 304 L N 3.101 124.024 121.223 -0.500 0.000 2.276 304 L HA 0.425 4.771 4.340 0.009 0.000 0.286 304 L C -1.552 174.860 176.870 -0.763 0.000 1.061 304 L CA 0.145 54.721 54.840 -0.440 0.000 0.807 304 L CB 0.137 42.033 42.059 -0.271 0.000 1.177 304 L HN 0.406 nan 8.230 nan 0.000 0.429 305 F N 3.896 123.635 119.950 -0.351 0.000 2.547 305 F HA 0.525 5.058 4.527 0.010 0.000 0.316 305 F C -0.347 175.209 175.800 -0.407 0.000 1.121 305 F CA -0.900 56.750 58.000 -0.583 0.000 0.911 305 F CB 1.965 40.297 39.000 -1.114 0.000 1.179 305 F HN 0.001 nan 8.300 nan 0.000 0.443 306 V N 4.646 124.460 119.914 -0.167 0.000 2.370 306 V HA 0.311 4.436 4.120 0.009 0.000 0.279 306 V C 0.088 176.266 176.094 0.140 0.000 1.029 306 V CA -0.812 61.478 62.300 -0.015 0.000 0.870 306 V CB 1.318 33.162 31.823 0.035 0.000 0.984 306 V HN 0.541 nan 8.190 nan 0.000 0.451 307 L N 7.272 128.606 121.223 0.184 0.000 2.462 307 L HA 0.236 4.581 4.340 0.009 0.000 0.272 307 L C -2.075 174.898 176.870 0.171 0.000 1.166 307 L CA -1.356 53.634 54.840 0.251 0.000 0.880 307 L CB 0.313 42.448 42.059 0.126 0.000 1.142 307 L HN 0.422 nan 8.230 nan 0.000 0.473 308 P HA 0.043 nan 4.420 nan 0.000 0.261 308 P C -1.933 175.414 177.300 0.079 0.000 1.203 308 P CA -0.842 62.330 63.100 0.119 0.000 0.767 308 P CB 0.421 32.184 31.700 0.104 0.000 0.785 309 P HA -0.282 nan 4.420 nan 0.000 0.218 309 P C 1.423 178.750 177.300 0.045 0.000 1.154 309 P CA 1.503 64.640 63.100 0.062 0.000 0.872 309 P CB -0.207 31.533 31.700 0.066 0.000 0.790 310 E N -0.184 120.040 120.200 0.040 0.000 2.265 310 E HA -0.159 4.196 4.350 0.009 0.000 0.196 310 E C 1.686 178.298 176.600 0.020 0.000 0.996 310 E CA 1.104 57.520 56.400 0.027 0.000 0.832 310 E CB -1.045 28.669 29.700 0.023 0.000 0.756 310 E HN 0.328 nan 8.360 nan 0.000 0.491 311 L N 1.082 122.318 121.223 0.021 0.000 2.509 311 L HA 0.096 4.441 4.340 0.009 0.000 0.222 311 L C 0.652 177.529 176.870 0.012 0.000 1.123 311 L CA 0.025 54.871 54.840 0.010 0.000 0.856 311 L CB 0.541 42.597 42.059 -0.004 0.000 0.985 311 L HN -0.084 nan 8.230 nan 0.000 0.456 312 V N 2.165 122.088 119.914 0.016 0.000 2.247 312 V HA 0.140 4.265 4.120 0.009 0.000 0.262 312 V C 0.107 176.219 176.094 0.030 0.000 1.096 312 V CA -0.586 61.720 62.300 0.010 0.000 0.895 312 V CB 0.972 32.788 31.823 -0.010 0.000 1.141 312 V HN 0.066 nan 8.190 nan 0.000 0.478 313 L N 5.028 126.274 121.223 0.039 0.000 2.462 313 L HA 0.353 4.698 4.340 0.009 0.000 0.272 313 L C 0.241 177.140 176.870 0.047 0.000 1.166 313 L CA 0.880 55.739 54.840 0.032 0.000 0.880 313 L CB 0.092 42.167 42.059 0.026 0.000 1.142 313 L HN 0.642 nan 8.230 nan 0.000 0.473 314 E N 3.380 123.586 120.200 0.010 0.000 2.359 314 E HA 0.633 4.988 4.350 0.009 0.000 0.266 314 E C -1.453 175.085 176.600 -0.104 0.000 0.920 314 E CA -1.078 55.322 56.400 0.001 0.000 0.788 314 E CB 2.439 32.164 29.700 0.042 0.000 1.279 314 E HN 0.368 nan 8.360 nan 0.000 0.438 315 V N 2.535 122.353 119.914 -0.161 0.000 2.443 315 V HA 0.307 4.432 4.120 0.009 0.000 0.293 315 V C -2.467 173.543 176.094 -0.140 0.000 1.021 315 V CA -1.948 60.200 62.300 -0.252 0.000 0.848 315 V CB 1.512 32.954 31.823 -0.634 0.000 0.998 315 V HN 0.514 nan 8.190 nan 0.000 0.424 316 P HA 0.331 nan 4.420 nan 0.000 0.275 316 P C -0.755 176.536 177.300 -0.014 0.000 1.227 316 P CA -0.168 62.889 63.100 -0.072 0.000 0.781 316 P CB 0.650 32.319 31.700 -0.051 0.000 0.906 317 L N 3.231 124.484 121.223 0.051 0.000 2.289 317 L HA 0.488 4.833 4.340 0.009 0.000 0.285 317 L C 0.903 177.926 176.870 0.255 0.000 1.049 317 L CA -0.278 54.660 54.840 0.163 0.000 0.804 317 L CB 0.756 42.976 42.059 0.268 0.000 1.195 317 L HN 0.477 nan 8.230 nan 0.000 0.428 318 E N 1.807 122.124 120.200 0.194 0.000 2.393 318 E HA 0.402 4.758 4.350 0.009 0.000 0.273 318 E C -1.315 175.299 176.600 0.024 0.000 0.918 318 E CA -0.936 55.589 56.400 0.208 0.000 0.773 318 E CB 2.265 32.062 29.700 0.161 0.000 1.275 318 E HN 0.475 nan 8.360 nan 0.000 0.451 319 H N 1.811 120.733 119.070 -0.247 0.000 2.472 319 H HA 0.221 4.783 4.556 0.009 0.000 0.335 319 H C -1.707 173.321 175.328 -0.500 0.000 1.136 319 H CA -2.231 53.504 56.048 -0.521 0.000 1.264 319 H CB 1.952 31.299 29.762 -0.692 0.000 1.486 319 H HN 0.447 nan 8.280 nan 0.000 0.517 320 P HA -0.100 nan 4.420 nan 0.000 0.221 320 P C 0.902 178.020 177.300 -0.303 0.000 1.150 320 P CA 1.618 64.173 63.100 -0.907 0.000 0.800 320 P CB 0.504 31.623 31.700 -0.969 0.000 0.787 321 T N -4.491 110.062 114.554 -0.002 0.000 3.010 321 T HA 0.199 4.555 4.350 0.009 0.000 0.252 321 T C 0.868 175.522 174.700 -0.076 0.000 0.963 321 T CA -0.217 61.880 62.100 -0.005 0.000 0.952 321 T CB -0.612 68.263 68.868 0.012 0.000 1.182 321 T HN -0.078 nan 8.240 nan 0.000 0.495 322 L N 2.881 123.983 121.223 -0.202 0.000 2.385 322 L HA 0.351 4.696 4.340 0.009 0.000 0.285 322 L C 1.231 177.722 176.870 -0.631 0.000 1.125 322 L CA -0.230 54.211 54.840 -0.665 0.000 0.890 322 L CB 0.451 41.729 42.059 -1.301 0.000 1.251 322 L HN 0.299 nan 8.230 nan 0.000 0.445 323 E N 3.403 123.395 120.200 -0.347 0.000 2.265 323 E HA -0.193 4.162 4.350 0.009 0.000 0.196 323 E C 1.497 178.048 176.600 -0.081 0.000 0.996 323 E CA 1.290 57.602 56.400 -0.146 0.000 0.832 323 E CB 0.052 29.745 29.700 -0.013 0.000 0.756 323 E HN 0.811 nan 8.360 nan 0.000 0.491 324 W N -0.265 121.090 121.300 0.091 0.000 2.678 324 W HA 0.022 4.688 4.660 0.010 0.000 0.256 324 W C 1.439 178.022 176.519 0.107 0.000 1.280 324 W CA -0.264 57.126 57.345 0.076 0.000 1.345 324 W CB -0.852 28.630 29.460 0.036 0.000 1.118 324 W HN -0.052 nan 8.180 nan 0.000 0.629 325 F N 3.004 122.748 119.950 -0.343 0.000 2.161 325 F HA -0.134 4.399 4.527 0.009 0.000 0.300 325 F C 2.652 178.482 175.800 0.050 0.000 1.089 325 F CA 2.907 60.821 58.000 -0.143 0.000 1.282 325 F CB -0.405 38.359 39.000 -0.392 0.000 1.010 325 F HN -0.084 nan 8.300 nan 0.000 0.485 326 A N -0.181 122.786 122.820 0.245 0.000 2.070 326 A HA -0.007 4.318 4.320 0.009 0.000 0.220 326 A C 2.192 179.847 177.584 0.118 0.000 1.159 326 A CA 1.292 53.438 52.037 0.182 0.000 0.656 326 A CB -1.237 17.841 19.000 0.131 0.000 0.800 326 A HN 0.412 nan 8.150 nan 0.000 0.453 327 A N -1.101 121.797 122.820 0.131 0.000 2.167 327 A HA 0.229 4.555 4.320 0.009 0.000 0.214 327 A C 1.679 179.309 177.584 0.077 0.000 1.151 327 A CA 0.784 52.886 52.037 0.108 0.000 0.735 327 A CB -0.322 18.762 19.000 0.140 0.000 0.802 327 A HN 0.353 nan 8.150 nan 0.000 0.467 328 L N -0.862 120.386 121.223 0.041 0.000 2.376 328 L HA 0.109 4.455 4.340 0.009 0.000 0.219 328 L C 1.859 178.742 176.870 0.022 0.000 1.133 328 L CA 1.241 56.070 54.840 -0.017 0.000 0.816 328 L CB -0.971 40.963 42.059 -0.207 0.000 0.933 328 L HN 0.627 nan 8.230 nan 0.000 0.449 329 G N -0.429 108.390 108.800 0.030 0.000 2.198 329 G HA2 -0.285 3.680 3.960 0.009 0.000 0.260 329 G HA3 -0.285 3.680 3.960 0.009 0.000 0.260 329 G C 0.339 175.235 174.900 -0.007 0.000 1.025 329 G CA 0.393 45.514 45.100 0.036 0.000 0.769 329 G HN 0.306 nan 8.290 nan 0.000 0.507 330 L N -0.521 120.679 121.223 -0.039 0.000 2.421 330 L HA 0.838 5.183 4.340 0.009 0.000 0.263 330 L C 1.096 177.778 176.870 -0.312 0.000 1.122 330 L CA -0.674 54.082 54.840 -0.140 0.000 0.804 330 L CB 1.021 43.093 42.059 0.021 0.000 1.150 330 L HN 0.595 nan 8.230 nan 0.000 0.457 331 R N 0.714 120.849 120.500 -0.608 0.000 2.741 331 R HA 0.457 4.802 4.340 0.009 0.000 0.276 331 R C -2.207 174.002 176.300 -0.152 0.000 1.028 331 R CA -1.022 54.845 56.100 -0.388 0.000 0.865 331 R CB 1.556 31.552 30.300 -0.507 0.000 1.268 331 R HN 0.658 nan 8.270 nan 0.000 0.475 332 W N 1.407 122.637 121.300 -0.117 0.000 3.137 332 W HA 0.375 5.041 4.660 0.009 0.000 0.324 332 W C -1.311 175.282 176.519 0.124 0.000 1.253 332 W CA -0.961 56.412 57.345 0.046 0.000 1.183 332 W CB 2.012 31.431 29.460 -0.068 0.000 1.424 332 W HN 0.685 nan 8.180 nan 0.000 0.566 333 Y N 1.003 121.148 120.300 -0.258 0.000 2.307 333 Y HA 0.587 5.142 4.550 0.009 0.000 0.324 333 Y C 0.764 176.876 175.900 0.353 0.000 1.238 333 Y CA -0.026 58.060 58.100 -0.024 0.000 1.280 333 Y CB 0.345 38.664 38.460 -0.235 0.000 1.248 333 Y HN 0.352 nan 8.280 nan 0.000 0.508 334 A N 2.431 125.505 122.820 0.424 0.000 1.930 334 A HA 0.029 4.355 4.320 0.009 0.000 0.215 334 A C 0.617 178.540 177.584 0.565 0.000 1.176 334 A CA 0.467 52.795 52.037 0.486 0.000 0.632 334 A CB -0.395 18.740 19.000 0.225 0.000 0.819 334 A HN 0.696 nan 8.150 nan 0.000 0.445 335 L N 2.070 123.577 121.223 0.474 0.000 2.261 335 L HA 0.377 4.722 4.340 0.009 0.000 0.289 335 L C -2.464 174.581 176.870 0.291 0.000 1.059 335 L CA -2.090 52.940 54.840 0.317 0.000 0.816 335 L CB 1.379 43.553 42.059 0.191 0.000 1.191 335 L HN 0.018 nan 8.230 nan 0.000 0.431 336 P HA 0.326 nan 4.420 nan 0.000 0.291 336 P C -1.479 175.731 177.300 -0.148 0.000 1.378 336 P CA -0.335 62.640 63.100 -0.207 0.000 0.853 336 P CB 1.280 32.405 31.700 -0.958 0.000 1.002 337 A N 4.518 127.268 122.820 -0.117 0.000 2.363 337 A HA 0.433 4.758 4.320 0.009 0.000 0.296 337 A C -0.223 177.150 177.584 -0.351 0.000 1.237 337 A CA -0.687 51.202 52.037 -0.246 0.000 0.773 337 A CB 1.016 19.899 19.000 -0.196 0.000 1.153 337 A HN 0.295 nan 8.150 nan 0.000 0.473 338 V N 2.863 122.400 119.914 -0.628 0.000 2.572 338 V HA 0.271 4.396 4.120 0.009 0.000 0.291 338 V C 1.189 176.921 176.094 -0.603 0.000 1.039 338 V CA 1.221 63.131 62.300 -0.649 0.000 1.055 338 V CB 1.267 32.499 31.823 -0.985 0.000 0.969 338 V HN 1.134 nan 8.190 nan 0.000 0.482 339 S N 1.491 117.024 115.700 -0.278 0.000 2.733 339 S HA 0.057 4.533 4.470 0.009 0.000 0.247 339 S C 0.821 175.415 174.600 -0.010 0.000 1.043 339 S CA -0.076 58.041 58.200 -0.137 0.000 1.066 339 S CB -0.057 63.094 63.200 -0.082 0.000 1.045 339 S HN 0.818 nan 8.310 nan 0.000 0.586 340 N N 1.227 119.927 118.700 0.001 0.000 2.203 340 N HA 0.263 5.009 4.740 0.009 0.000 0.207 340 N C 0.060 175.633 175.510 0.105 0.000 1.130 340 N CA -0.249 52.838 53.050 0.061 0.000 0.861 340 N CB -0.149 38.374 38.487 0.059 0.000 1.005 340 N HN 0.378 nan 8.380 nan 0.000 0.507 341 M N 0.742 120.427 119.600 0.142 0.000 2.359 341 M HA 0.340 4.825 4.480 0.009 0.000 0.322 341 M C -0.408 176.042 176.300 0.249 0.000 1.166 341 M CA -0.843 54.590 55.300 0.222 0.000 1.067 341 M CB 2.219 35.001 32.600 0.303 0.000 1.523 341 M HN 0.007 nan 8.290 nan 0.000 0.467 342 L N 2.872 124.220 121.223 0.208 0.000 2.282 342 L HA 0.494 4.840 4.340 0.009 0.000 0.288 342 L C -1.306 175.666 176.870 0.170 0.000 1.033 342 L CA -0.904 54.041 54.840 0.174 0.000 0.807 342 L CB 1.058 43.173 42.059 0.092 0.000 1.209 342 L HN 0.580 nan 8.230 nan 0.000 0.423 343 L N 5.484 126.808 121.223 0.169 0.000 2.257 343 L HA 0.441 4.787 4.340 0.009 0.000 0.290 343 L C -0.402 176.480 176.870 0.020 0.000 1.044 343 L CA 0.344 55.169 54.840 -0.024 0.000 0.810 343 L CB 0.957 42.986 42.059 -0.050 0.000 1.193 343 L HN 0.648 nan 8.230 nan 0.000 0.425 344 E N 6.464 126.595 120.200 -0.115 0.000 2.166 344 E HA 0.444 4.799 4.350 0.009 0.000 0.275 344 E C -1.556 174.951 176.600 -0.156 0.000 0.941 344 E CA -0.484 55.863 56.400 -0.088 0.000 0.784 344 E CB 1.289 30.936 29.700 -0.088 0.000 1.115 344 E HN 0.724 nan 8.360 nan 0.000 0.399 345 I N 2.452 122.928 120.570 -0.156 0.000 2.548 345 I HA 0.237 4.413 4.170 0.009 0.000 0.287 345 I C 0.695 176.589 176.117 -0.372 0.000 1.103 345 I CA -0.654 60.432 61.300 -0.356 0.000 1.049 345 I CB 2.033 39.747 38.000 -0.477 0.000 1.232 345 I HN 0.801 nan 8.210 nan 0.000 0.429 346 G N 4.113 112.753 108.800 -0.266 0.000 2.321 346 G HA2 -0.120 3.845 3.960 0.009 0.000 0.287 346 G HA3 -0.120 3.845 3.960 0.009 0.000 0.287 346 G C 1.045 176.015 174.900 0.118 0.000 1.018 346 G CA 0.886 46.017 45.100 0.052 0.000 0.855 346 G HN 1.595 nan 8.290 nan 0.000 0.507 347 G N -1.764 107.045 108.800 0.015 0.000 2.299 347 G HA2 -0.245 3.720 3.960 0.009 0.000 0.237 347 G HA3 -0.245 3.720 3.960 0.009 0.000 0.237 347 G C 0.613 175.461 174.900 -0.085 0.000 1.027 347 G CA 0.332 45.439 45.100 0.011 0.000 0.619 347 G HN 1.288 nan 8.290 nan 0.000 0.513 348 L N 1.168 122.281 121.223 -0.184 0.000 2.456 348 L HA 0.464 4.809 4.340 0.009 0.000 0.272 348 L C 0.382 177.034 176.870 -0.363 0.000 1.189 348 L CA 0.224 54.835 54.840 -0.381 0.000 0.846 348 L CB 0.629 42.349 42.059 -0.564 0.000 1.111 348 L HN 0.255 nan 8.230 nan 0.000 0.475 349 E N 2.929 122.852 120.200 -0.462 0.000 2.185 349 E HA 0.316 4.672 4.350 0.009 0.000 0.261 349 E C -1.411 174.938 176.600 -0.418 0.000 0.879 349 E CA -0.370 55.845 56.400 -0.310 0.000 0.756 349 E CB 1.392 30.993 29.700 -0.165 0.000 1.152 349 E HN 0.282 nan 8.360 nan 0.000 0.416 350 F N 2.225 122.140 119.950 -0.059 0.000 2.329 350 F HA 0.079 4.612 4.527 0.011 0.000 0.362 350 F C 1.686 177.520 175.800 0.056 0.000 1.113 350 F CA -0.442 57.552 58.000 -0.011 0.000 1.212 350 F CB 0.803 39.778 39.000 -0.042 0.000 1.509 350 F HN 0.429 nan 8.300 nan 0.000 0.546 351 S N 1.308 117.112 115.700 0.174 0.000 2.440 351 S HA 0.011 4.487 4.470 0.009 0.000 0.238 351 S C 0.894 175.628 174.600 0.222 0.000 1.010 351 S CA 0.527 58.827 58.200 0.166 0.000 0.972 351 S CB -0.072 63.203 63.200 0.126 0.000 0.774 351 S HN 0.480 nan 8.310 nan 0.000 0.501 352 A N 0.343 123.342 122.820 0.298 0.000 2.340 352 A HA 0.834 5.159 4.320 0.009 0.000 0.297 352 A C -0.158 177.669 177.584 0.406 0.000 1.195 352 A CA -0.190 52.056 52.037 0.349 0.000 0.769 352 A CB 1.090 20.308 19.000 0.363 0.000 1.163 352 A HN 1.117 nan 8.150 nan 0.000 0.472 353 A N 4.181 127.183 122.820 0.304 0.000 3.330 353 A HA 0.591 4.916 4.320 0.009 0.000 0.256 353 A C -2.999 174.711 177.584 0.210 0.000 1.185 353 A CA -0.811 51.346 52.037 0.200 0.000 0.940 353 A CB 0.288 19.400 19.000 0.186 0.000 1.397 353 A HN 0.540 nan 8.150 nan 0.000 0.678 354 P HA 0.363 nan 4.420 nan 0.000 0.265 354 P C -0.706 176.550 177.300 -0.073 0.000 1.193 354 P CA 0.602 63.626 63.100 -0.127 0.000 0.765 354 P CB 0.131 31.705 31.700 -0.211 0.000 0.823 355 F N -0.122 119.733 119.950 -0.158 0.000 2.588 355 F HA 0.773 5.305 4.527 0.008 0.000 0.314 355 F C -0.615 175.086 175.800 -0.166 0.000 1.069 355 F CA -1.158 56.758 58.000 -0.140 0.000 0.931 355 F CB 1.735 40.552 39.000 -0.306 0.000 1.260 355 F HN 0.408 nan 8.300 nan 0.000 0.465 356 S N 0.296 116.044 115.700 0.080 0.000 2.556 356 S HA 0.919 5.394 4.470 0.009 0.000 0.271 356 S C -0.741 173.792 174.600 -0.113 0.000 1.135 356 S CA -0.195 57.987 58.200 -0.030 0.000 0.858 356 S CB 1.438 64.694 63.200 0.094 0.000 1.114 356 S HN 1.411 nan 8.310 nan 0.000 0.468 357 G N 0.116 108.800 108.800 -0.194 0.000 3.359 357 G HA2 0.749 4.715 3.960 0.009 0.000 0.187 357 G HA3 0.749 4.715 3.960 0.009 0.000 0.187 357 G C -1.422 173.430 174.900 -0.079 0.000 1.294 357 G CA -0.333 44.571 45.100 -0.326 0.000 0.769 357 G HN 1.136 nan 8.290 nan 0.000 0.733 358 W N -1.527 119.774 121.300 0.001 0.000 3.083 358 W HA 0.795 5.460 4.660 0.007 0.000 0.333 358 W C -1.672 174.850 176.519 0.005 0.000 1.217 358 W CA -2.280 55.084 57.345 0.031 0.000 1.170 358 W CB 0.324 29.843 29.460 0.099 0.000 1.437 358 W HN 0.391 nan 8.180 nan 0.000 0.557 359 Y N 2.659 123.150 120.300 0.318 0.000 2.457 359 Y HA 0.245 4.801 4.550 0.010 0.000 0.341 359 Y C 0.835 176.798 175.900 0.105 0.000 1.240 359 Y CA -0.370 57.803 58.100 0.120 0.000 1.437 359 Y CB 0.951 39.391 38.460 -0.033 0.000 1.328 359 Y HN 0.480 nan 8.280 nan 0.000 0.588 360 M N 2.066 121.821 119.600 0.258 0.000 2.205 360 M HA 0.205 4.691 4.480 0.009 0.000 0.344 360 M C 1.016 177.314 176.300 -0.003 0.000 1.085 360 M CA -0.356 55.020 55.300 0.126 0.000 1.001 360 M CB 1.225 33.879 32.600 0.090 0.000 1.626 360 M HN 0.826 nan 8.290 nan 0.000 0.442 361 S N 1.331 116.986 115.700 -0.076 0.000 2.407 361 S HA -0.199 4.276 4.470 0.009 0.000 0.235 361 S C 1.435 175.904 174.600 -0.217 0.000 1.036 361 S CA 2.221 60.303 58.200 -0.197 0.000 1.013 361 S CB -1.316 61.805 63.200 -0.132 0.000 0.820 361 S HN 0.923 nan 8.310 nan 0.000 0.476 362 T N -0.587 113.869 114.554 -0.164 0.000 2.995 362 T HA 0.070 4.426 4.350 0.009 0.000 0.269 362 T C 1.529 176.082 174.700 -0.245 0.000 1.091 362 T CA 1.007 62.967 62.100 -0.234 0.000 1.128 362 T CB -0.463 68.232 68.868 -0.288 0.000 0.891 362 T HN 0.578 nan 8.240 nan 0.000 0.492 363 E N 0.855 120.930 120.200 -0.209 0.000 2.077 363 E HA -0.027 4.329 4.350 0.009 0.000 0.193 363 E C 2.016 178.361 176.600 -0.426 0.000 0.989 363 E CA 1.348 57.626 56.400 -0.202 0.000 0.800 363 E CB -0.227 29.489 29.700 0.027 0.000 0.746 363 E HN 0.580 nan 8.360 nan 0.000 0.452 364 I N 0.064 120.246 120.570 -0.646 0.000 2.270 364 I HA -0.076 4.099 4.170 0.009 0.000 0.239 364 I C 2.577 178.344 176.117 -0.582 0.000 1.080 364 I CA 0.981 61.722 61.300 -0.933 0.000 1.383 364 I CB -0.552 36.810 38.000 -1.063 0.000 1.097 364 I HN 0.131 nan 8.210 nan 0.000 0.420 365 G N 0.055 108.618 108.800 -0.394 0.000 2.432 365 G HA2 -0.163 3.802 3.960 0.009 0.000 0.219 365 G HA3 -0.163 3.802 3.960 0.009 0.000 0.219 365 G C 1.600 176.390 174.900 -0.184 0.000 1.135 365 G CA 1.489 46.450 45.100 -0.231 0.000 0.767 365 G HN 0.310 nan 8.290 nan 0.000 0.550 366 T N -0.338 114.084 114.554 -0.221 0.000 3.044 366 T HA 0.121 4.476 4.350 0.009 0.000 0.237 366 T C 2.502 177.094 174.700 -0.179 0.000 1.001 366 T CA 0.128 62.118 62.100 -0.184 0.000 1.160 366 T CB 0.146 68.888 68.868 -0.209 0.000 0.889 366 T HN 0.008 nan 8.240 nan 0.000 0.442 367 R N 2.119 122.492 120.500 -0.212 0.000 2.051 367 R HA 0.173 4.519 4.340 0.009 0.000 0.225 367 R C 2.179 178.365 176.300 -0.189 0.000 1.155 367 R CA 1.040 57.023 56.100 -0.196 0.000 0.945 367 R CB -1.224 28.962 30.300 -0.190 0.000 0.840 367 R HN 0.313 nan 8.270 nan 0.000 0.432 368 N N 1.089 119.636 118.700 -0.255 0.000 2.104 368 N HA -0.103 4.642 4.740 0.009 0.000 0.190 368 N C 1.982 177.448 175.510 -0.073 0.000 1.024 368 N CA 1.146 54.056 53.050 -0.234 0.000 0.853 368 N CB -0.268 37.782 38.487 -0.728 0.000 1.008 368 N HN 0.188 nan 8.380 nan 0.000 0.424 369 L N -0.671 120.454 121.223 -0.164 0.000 2.249 369 L HA 0.059 4.404 4.340 0.009 0.000 0.207 369 L C 1.543 178.443 176.870 0.051 0.000 1.090 369 L CA 0.509 55.345 54.840 -0.006 0.000 0.802 369 L CB 0.078 42.104 42.059 -0.056 0.000 0.947 369 L HN 0.171 nan 8.230 nan 0.000 0.453 370 C N -1.425 117.861 119.300 -0.022 0.000 2.912 370 C HA 0.151 4.616 4.460 0.009 0.000 0.274 370 C C 0.781 175.748 174.990 -0.038 0.000 1.248 370 C CA -0.932 58.080 59.018 -0.010 0.000 1.694 370 C CB -0.391 27.332 27.740 -0.029 0.000 2.024 370 C HN 0.314 nan 8.230 nan 0.000 0.605 371 D N 2.156 122.497 120.400 -0.098 0.000 2.449 371 D HA 0.064 4.709 4.640 0.009 0.000 0.236 371 D C -1.395 174.846 176.300 -0.099 0.000 1.149 371 D CA -1.040 52.863 54.000 -0.163 0.000 0.878 371 D CB 0.536 41.083 40.800 -0.422 0.000 1.198 371 D HN 0.115 nan 8.370 nan 0.000 0.446 372 P HA -0.136 nan 4.420 nan 0.000 0.215 372 P C 0.669 178.034 177.300 0.108 0.000 1.153 372 P CA 1.302 64.462 63.100 0.100 0.000 0.853 372 P CB -0.011 31.789 31.700 0.167 0.000 0.788 373 H N -2.396 116.678 119.070 0.007 0.000 2.567 373 H HA 0.344 4.905 4.556 0.009 0.000 0.294 373 H C 0.859 176.184 175.328 -0.004 0.000 1.050 373 H CA 0.004 56.053 56.048 0.001 0.000 1.168 373 H CB -0.138 29.627 29.762 0.004 0.000 1.422 373 H HN 0.002 nan 8.280 nan 0.000 0.562 374 R N -0.298 120.104 120.500 -0.163 0.000 3.096 374 R HA 0.181 4.526 4.340 0.009 0.000 0.138 374 R C 1.074 177.306 176.300 -0.113 0.000 1.088 374 R CA -0.724 55.303 56.100 -0.122 0.000 0.652 374 R CB -0.809 29.444 30.300 -0.078 0.000 1.179 374 R HN 0.093 nan 8.270 nan 0.000 0.404 375 Y N 1.723 122.032 120.300 0.016 0.000 2.421 375 Y HA -0.040 4.516 4.550 0.009 0.000 0.292 375 Y C 0.770 176.687 175.900 0.027 0.000 1.136 375 Y CA 1.369 59.490 58.100 0.036 0.000 1.255 375 Y CB -0.308 38.208 38.460 0.093 0.000 0.991 375 Y HN 0.562 nan 8.280 nan 0.000 0.552 376 N N 0.939 119.713 118.700 0.123 0.000 2.699 376 N HA -0.229 4.517 4.740 0.009 0.000 0.256 376 N C 0.581 176.164 175.510 0.122 0.000 0.993 376 N CA 0.299 53.404 53.050 0.092 0.000 0.759 376 N CB -0.969 37.556 38.487 0.063 0.000 0.906 376 N HN 0.628 nan 8.380 nan 0.000 0.541 377 I N -3.035 117.622 120.570 0.144 0.000 3.684 377 I HA -0.007 4.168 4.170 0.009 0.000 0.304 377 I C 1.724 177.928 176.117 0.146 0.000 1.278 377 I CA -0.316 61.067 61.300 0.138 0.000 1.272 377 I CB -0.028 38.056 38.000 0.140 0.000 1.029 377 I HN 0.131 nan 8.210 nan 0.000 0.458 378 L N 1.791 123.110 121.223 0.160 0.000 1.997 378 L HA -0.256 4.089 4.340 0.009 0.000 0.216 378 L C 2.626 179.697 176.870 0.335 0.000 1.074 378 L CA 2.185 57.157 54.840 0.220 0.000 0.763 378 L CB -0.974 41.187 42.059 0.169 0.000 0.890 378 L HN 0.481 nan 8.230 nan 0.000 0.434 379 E N -1.040 119.349 120.200 0.316 0.000 2.077 379 E HA -0.232 4.123 4.350 0.009 0.000 0.193 379 E C 1.747 178.380 176.600 0.055 0.000 0.989 379 E CA 1.347 57.862 56.400 0.191 0.000 0.800 379 E CB 0.042 29.800 29.700 0.097 0.000 0.746 379 E HN 0.522 nan 8.360 nan 0.000 0.452 380 D N 0.003 120.438 120.400 0.058 0.000 2.104 380 D HA -0.153 4.492 4.640 0.009 0.000 0.194 380 D C 2.073 178.369 176.300 -0.006 0.000 0.994 380 D CA 1.079 55.081 54.000 0.003 0.000 0.830 380 D CB -0.263 40.547 40.800 0.015 0.000 0.959 380 D HN 0.131 nan 8.370 nan 0.000 0.452 381 V N 1.485 121.449 119.914 0.084 0.000 2.427 381 V HA -0.191 3.934 4.120 0.009 0.000 0.248 381 V C 2.530 178.705 176.094 0.135 0.000 1.051 381 V CA 1.634 64.030 62.300 0.160 0.000 1.048 381 V CB -0.707 31.290 31.823 0.289 0.000 0.666 381 V HN 0.174 nan 8.190 nan 0.000 0.456 382 A N -0.206 122.705 122.820 0.151 0.000 1.898 382 A HA -0.137 4.189 4.320 0.009 0.000 0.216 382 A C 2.389 179.941 177.584 -0.053 0.000 1.181 382 A CA 1.862 53.977 52.037 0.131 0.000 0.620 382 A CB -0.628 18.527 19.000 0.258 0.000 0.819 382 A HN 0.324 nan 8.150 nan 0.000 0.442 383 V N -0.648 119.189 119.914 -0.129 0.000 2.332 383 V HA -0.338 3.788 4.120 0.009 0.000 0.248 383 V C 2.618 178.556 176.094 -0.260 0.000 1.055 383 V CA 2.109 64.293 62.300 -0.192 0.000 1.038 383 V CB -1.054 30.661 31.823 -0.181 0.000 0.651 383 V HN 0.721 nan 8.190 nan 0.000 0.450 384 C N -0.532 118.544 119.300 -0.373 0.000 2.435 384 C HA -0.100 4.365 4.460 0.009 0.000 0.279 384 C C 2.579 177.171 174.990 -0.664 0.000 1.321 384 C CA 0.842 59.391 59.018 -0.782 0.000 1.752 384 C CB -0.988 25.877 27.740 -1.459 0.000 1.959 384 C HN 0.527 nan 8.230 nan 0.000 0.500 385 M N 0.118 119.573 119.600 -0.242 0.000 2.618 385 M HA 0.043 4.529 4.480 0.009 0.000 0.240 385 M C 0.457 176.743 176.300 -0.023 0.000 1.123 385 M CA 0.805 56.120 55.300 0.024 0.000 1.060 385 M CB -0.513 32.194 32.600 0.178 0.000 1.535 385 M HN 0.269 nan 8.290 nan 0.000 0.507 386 D N 1.482 121.817 120.400 -0.108 0.000 2.699 386 D HA -0.152 4.493 4.640 0.009 0.000 0.239 386 D C -0.900 175.368 176.300 -0.053 0.000 1.136 386 D CA 0.419 54.362 54.000 -0.094 0.000 0.668 386 D CB -0.762 39.992 40.800 -0.077 0.000 1.060 386 D HN 0.318 nan 8.370 nan 0.000 0.429 387 L N -0.218 120.977 121.223 -0.046 0.000 2.416 387 L HA 0.379 4.724 4.340 0.009 0.000 0.262 387 L C 0.954 177.762 176.870 -0.103 0.000 1.093 387 L CA -0.818 54.016 54.840 -0.009 0.000 0.801 387 L CB 0.628 42.748 42.059 0.102 0.000 1.191 387 L HN 0.004 nan 8.230 nan 0.000 0.459 388 D N 0.496 120.858 120.400 -0.063 0.000 2.470 388 D HA 0.012 4.657 4.640 0.009 0.000 0.226 388 D C 1.018 177.126 176.300 -0.320 0.000 1.196 388 D CA -0.140 53.786 54.000 -0.122 0.000 0.979 388 D CB 0.598 41.388 40.800 -0.017 0.000 1.059 388 D HN 0.582 nan 8.370 nan 0.000 0.515 389 T N 0.340 114.509 114.554 -0.642 0.000 3.252 389 T HA 0.080 4.435 4.350 0.009 0.000 0.250 389 T C 1.346 175.696 174.700 -0.584 0.000 1.123 389 T CA 0.083 61.386 62.100 -1.327 0.000 1.006 389 T CB -0.021 68.002 68.868 -1.409 0.000 0.992 389 T HN 0.238 nan 8.240 nan 0.000 0.547 390 R N 0.215 120.564 120.500 -0.252 0.000 2.312 390 R HA 0.237 4.582 4.340 0.009 0.000 0.205 390 R C 0.586 176.908 176.300 0.036 0.000 0.904 390 R CA 0.206 56.257 56.100 -0.082 0.000 1.052 390 R CB 0.511 30.768 30.300 -0.072 0.000 1.014 390 R HN 0.306 nan 8.270 nan 0.000 0.503 391 T N -0.444 114.173 114.554 0.104 0.000 2.928 391 T HA 0.096 4.452 4.350 0.009 0.000 0.296 391 T C 1.134 176.004 174.700 0.284 0.000 1.000 391 T CA -0.573 61.621 62.100 0.158 0.000 0.989 391 T CB 1.621 70.547 68.868 0.096 0.000 1.005 391 T HN 0.230 nan 8.240 nan 0.000 0.442 392 T N 1.611 116.296 114.554 0.219 0.000 2.720 392 T HA -0.150 4.205 4.350 0.009 0.000 0.268 392 T C 2.133 176.891 174.700 0.096 0.000 1.037 392 T CA 1.867 64.055 62.100 0.148 0.000 1.144 392 T CB -0.820 68.084 68.868 0.061 0.000 0.864 392 T HN 0.732 nan 8.240 nan 0.000 0.444 393 S N 2.113 117.867 115.700 0.089 0.000 2.584 393 S HA -0.076 4.400 4.470 0.009 0.000 0.240 393 S C 2.047 176.695 174.600 0.081 0.000 0.975 393 S CA 0.878 59.117 58.200 0.064 0.000 0.949 393 S CB -0.954 62.276 63.200 0.051 0.000 0.761 393 S HN 0.810 nan 8.310 nan 0.000 0.536 394 S N 1.441 117.226 115.700 0.141 0.000 2.528 394 S HA 0.249 4.724 4.470 0.009 0.000 0.219 394 S C 0.935 175.620 174.600 0.140 0.000 0.985 394 S CA 0.137 58.430 58.200 0.155 0.000 0.914 394 S CB -0.928 62.403 63.200 0.218 0.000 0.776 394 S HN 0.617 nan 8.310 nan 0.000 0.526 395 L N 0.931 122.202 121.223 0.080 0.000 3.843 395 L HA -0.179 4.167 4.340 0.009 0.000 0.411 395 L C 1.651 178.522 176.870 0.002 0.000 1.205 395 L CA 0.671 55.498 54.840 -0.023 0.000 0.945 395 L CB -2.468 39.588 42.059 -0.004 0.000 1.929 395 L HN 0.721 nan 8.230 nan 0.000 0.934 396 W N -0.024 121.287 121.300 0.018 0.000 2.374 396 W HA -0.149 4.517 4.660 0.009 0.000 0.288 396 W C 1.735 178.271 176.519 0.028 0.000 1.218 396 W CA 1.346 58.705 57.345 0.023 0.000 1.245 396 W CB -0.723 28.747 29.460 0.017 0.000 1.126 396 W HN 0.288 nan 8.180 nan 0.000 0.545 397 K N 1.056 121.013 120.400 -0.737 0.000 2.057 397 K HA -0.161 4.164 4.320 0.009 0.000 0.207 397 K C 1.532 177.986 176.600 -0.244 0.000 1.049 397 K CA 2.337 58.227 56.287 -0.663 0.000 0.931 397 K CB -0.349 31.614 32.500 -0.895 0.000 0.714 397 K HN 0.050 nan 8.250 nan 0.000 0.440 398 D N 0.610 120.895 120.400 -0.192 0.000 2.117 398 D HA -0.122 4.524 4.640 0.009 0.000 0.197 398 D C 1.674 177.964 176.300 -0.017 0.000 0.987 398 D CA 1.198 55.143 54.000 -0.091 0.000 0.829 398 D CB 0.064 40.819 40.800 -0.074 0.000 0.961 398 D HN 0.122 nan 8.370 nan 0.000 0.460 399 K N 0.571 120.987 120.400 0.028 0.000 2.001 399 K HA -0.020 4.306 4.320 0.009 0.000 0.208 399 K C 2.261 178.927 176.600 0.110 0.000 1.048 399 K CA 1.152 57.487 56.287 0.080 0.000 0.932 399 K CB -0.217 32.352 32.500 0.115 0.000 0.715 399 K HN 0.074 nan 8.250 nan 0.000 0.437 400 A N 1.615 124.524 122.820 0.149 0.000 1.908 400 A HA -0.168 4.158 4.320 0.009 0.000 0.218 400 A C 2.380 180.051 177.584 0.145 0.000 1.181 400 A CA 1.981 54.135 52.037 0.194 0.000 0.627 400 A CB -0.773 18.379 19.000 0.253 0.000 0.818 400 A HN 0.365 nan 8.150 nan 0.000 0.445 401 A N -0.589 122.272 122.820 0.069 0.000 1.908 401 A HA -0.023 4.303 4.320 0.009 0.000 0.218 401 A C 2.246 179.845 177.584 0.024 0.000 1.181 401 A CA 1.863 53.914 52.037 0.023 0.000 0.627 401 A CB -0.954 18.021 19.000 -0.042 0.000 0.818 401 A HN 0.403 nan 8.150 nan 0.000 0.445 402 V N 0.325 120.260 119.914 0.035 0.000 2.295 402 V HA -0.219 3.906 4.120 0.009 0.000 0.246 402 V C 2.597 178.728 176.094 0.061 0.000 1.049 402 V CA 2.172 64.497 62.300 0.043 0.000 1.024 402 V CB -0.749 31.106 31.823 0.054 0.000 0.648 402 V HN 0.520 nan 8.190 nan 0.000 0.447 403 E N -0.001 120.263 120.200 0.107 0.000 2.077 403 E HA -0.163 4.192 4.350 0.009 0.000 0.193 403 E C 2.132 178.780 176.600 0.080 0.000 0.989 403 E CA 1.312 57.807 56.400 0.159 0.000 0.800 403 E CB -0.407 29.391 29.700 0.163 0.000 0.746 403 E HN 0.580 nan 8.360 nan 0.000 0.452 404 I N 1.633 122.279 120.570 0.126 0.000 2.208 404 I HA -0.277 3.898 4.170 0.009 0.000 0.245 404 I C 2.175 178.286 176.117 -0.010 0.000 1.097 404 I CA 0.925 62.306 61.300 0.135 0.000 1.363 404 I CB -0.290 37.841 38.000 0.218 0.000 1.051 404 I HN 0.093 nan 8.210 nan 0.000 0.413 405 N N 0.569 119.253 118.700 -0.026 0.000 2.142 405 N HA -0.161 4.584 4.740 0.009 0.000 0.186 405 N C 1.907 177.370 175.510 -0.079 0.000 1.023 405 N CA 1.137 54.147 53.050 -0.066 0.000 0.852 405 N CB -0.146 38.309 38.487 -0.054 0.000 0.998 405 N HN 0.198 nan 8.380 nan 0.000 0.424 406 L N 1.637 122.808 121.223 -0.086 0.000 2.083 406 L HA -0.042 4.303 4.340 0.009 0.000 0.209 406 L C 2.231 178.956 176.870 -0.242 0.000 1.083 406 L CA 1.387 56.137 54.840 -0.150 0.000 0.752 406 L CB -0.819 41.125 42.059 -0.192 0.000 0.899 406 L HN 0.051 nan 8.230 nan 0.000 0.433 407 A N -1.221 121.396 122.820 -0.338 0.000 1.902 407 A HA -0.155 4.171 4.320 0.009 0.000 0.217 407 A C 2.277 179.785 177.584 -0.126 0.000 1.181 407 A CA 1.999 53.793 52.037 -0.405 0.000 0.623 407 A CB -1.068 17.411 19.000 -0.869 0.000 0.818 407 A HN 0.302 nan 8.150 nan 0.000 0.443 408 V N -0.017 119.846 119.914 -0.084 0.000 2.295 408 V HA -0.250 3.876 4.120 0.009 0.000 0.246 408 V C 2.570 178.673 176.094 0.015 0.000 1.049 408 V CA 1.966 64.258 62.300 -0.012 0.000 1.024 408 V CB -0.725 31.003 31.823 -0.160 0.000 0.648 408 V HN 0.573 nan 8.190 nan 0.000 0.447 409 L N -0.591 120.604 121.223 -0.047 0.000 2.046 409 L HA -0.217 4.129 4.340 0.009 0.000 0.208 409 L C 2.595 179.496 176.870 0.052 0.000 1.077 409 L CA 2.061 56.892 54.840 -0.016 0.000 0.747 409 L CB -0.775 41.268 42.059 -0.026 0.000 0.896 409 L HN 0.480 nan 8.230 nan 0.000 0.432 410 H N -0.259 118.764 119.070 -0.078 0.000 2.293 410 H HA -0.142 4.420 4.556 0.010 0.000 0.300 410 H C 2.380 177.694 175.328 -0.023 0.000 1.082 410 H CA 2.025 58.019 56.048 -0.091 0.000 1.308 410 H CB -0.048 29.590 29.762 -0.206 0.000 1.375 410 H HN 0.122 nan 8.280 nan 0.000 0.495 411 S N -0.393 115.259 115.700 -0.080 0.000 2.370 411 S HA -0.141 4.335 4.470 0.009 0.000 0.226 411 S C 2.048 176.608 174.600 -0.068 0.000 1.033 411 S CA 1.377 59.508 58.200 -0.114 0.000 1.011 411 S CB -0.538 62.684 63.200 0.037 0.000 0.852 411 S HN 0.376 nan 8.310 nan 0.000 0.457 412 F N 1.821 121.706 119.950 -0.108 0.000 2.146 412 F HA -0.139 4.393 4.527 0.009 0.000 0.298 412 F C 2.796 178.542 175.800 -0.090 0.000 1.096 412 F CA 1.185 59.145 58.000 -0.066 0.000 1.275 412 F CB -0.339 38.646 39.000 -0.025 0.000 1.008 412 F HN 0.196 nan 8.300 nan 0.000 0.480 413 Q N -0.094 119.748 119.800 0.070 0.000 2.020 413 Q HA -0.246 4.099 4.340 0.009 0.000 0.202 413 Q C 2.207 178.155 176.000 -0.087 0.000 0.982 413 Q CA 1.799 57.593 55.803 -0.015 0.000 0.838 413 Q CB -0.567 28.155 28.738 -0.028 0.000 0.899 413 Q HN 0.375 nan 8.270 nan 0.000 0.423 414 L N 0.668 121.782 121.223 -0.182 0.000 2.013 414 L HA -0.197 4.148 4.340 0.009 0.000 0.212 414 L C 2.008 178.792 176.870 -0.143 0.000 1.073 414 L CA 2.212 56.930 54.840 -0.204 0.000 0.753 414 L CB -0.570 41.278 42.059 -0.351 0.000 0.890 414 L HN 0.166 nan 8.230 nan 0.000 0.432 415 A N -1.348 121.380 122.820 -0.155 0.000 2.239 415 A HA -0.042 4.283 4.320 0.009 0.000 0.209 415 A C 1.102 178.619 177.584 -0.111 0.000 1.171 415 A CA 0.564 52.515 52.037 -0.144 0.000 0.768 415 A CB -0.599 18.275 19.000 -0.209 0.000 0.790 415 A HN 0.557 nan 8.150 nan 0.000 0.478 416 K N -1.301 119.047 120.400 -0.085 0.000 3.096 416 K HA -0.127 4.198 4.320 0.009 0.000 0.266 416 K C -0.755 175.817 176.600 -0.045 0.000 1.043 416 K CA 0.635 56.887 56.287 -0.059 0.000 0.758 416 K CB -2.089 30.377 32.500 -0.058 0.000 1.260 416 K HN 0.265 nan 8.250 nan 0.000 0.481 417 V N 0.927 120.826 119.914 -0.025 0.000 2.513 417 V HA 0.179 4.304 4.120 0.009 0.000 0.299 417 V C 0.821 177.004 176.094 0.148 0.000 1.035 417 V CA -0.737 61.582 62.300 0.032 0.000 0.889 417 V CB 1.998 33.780 31.823 -0.068 0.000 0.988 417 V HN 0.232 nan 8.190 nan 0.000 0.440 418 T N 5.981 120.592 114.554 0.094 0.000 2.934 418 T HA 0.429 4.784 4.350 0.009 0.000 0.306 418 T C -0.262 174.517 174.700 0.132 0.000 1.042 418 T CA 0.844 62.933 62.100 -0.019 0.000 1.145 418 T CB 0.033 68.778 68.868 -0.205 0.000 0.982 418 T HN 0.580 nan 8.240 nan 0.000 0.544 419 I N 2.291 122.860 120.570 -0.002 0.000 2.882 419 I HA 0.580 4.755 4.170 0.009 0.000 0.298 419 I C -1.717 174.405 176.117 0.007 0.000 1.462 419 I CA -0.877 60.450 61.300 0.045 0.000 1.000 419 I CB 1.811 39.771 38.000 -0.067 0.000 1.340 419 I HN 0.454 nan 8.210 nan 0.000 0.462 420 V N 5.411 125.383 119.914 0.096 0.000 2.638 420 V HA 0.490 4.615 4.120 0.009 0.000 0.306 420 V C -1.095 175.039 176.094 0.067 0.000 1.052 420 V CA -0.255 62.105 62.300 0.100 0.000 0.885 420 V CB 2.194 34.154 31.823 0.229 0.000 0.999 420 V HN 0.885 nan 8.190 nan 0.000 0.424 421 D N 4.034 124.452 120.400 0.030 0.000 2.358 421 D HA 0.159 4.804 4.640 0.009 0.000 0.244 421 D C 1.283 177.569 176.300 -0.024 0.000 1.163 421 D CA 0.182 54.185 54.000 0.005 0.000 0.945 421 D CB 0.417 41.193 40.800 -0.039 0.000 1.152 421 D HN 0.744 nan 8.370 nan 0.000 0.451 422 H N -0.406 118.579 119.070 -0.143 0.000 2.491 422 H HA -0.123 4.438 4.556 0.009 0.000 0.290 422 H C 0.902 176.104 175.328 -0.210 0.000 1.050 422 H CA 1.214 57.139 56.048 -0.204 0.000 1.309 422 H CB -0.497 29.086 29.762 -0.298 0.000 1.392 422 H HN 0.510 nan 8.280 nan 0.000 0.554 423 H N 1.225 120.086 119.070 -0.347 0.000 2.294 423 H HA 0.168 4.729 4.556 0.009 0.000 0.306 423 H C 2.580 177.882 175.328 -0.044 0.000 1.065 423 H CA 1.263 57.203 56.048 -0.181 0.000 1.343 423 H CB -0.435 29.184 29.762 -0.238 0.000 1.396 423 H HN 0.467 nan 8.280 nan 0.000 0.506 424 A N 1.681 124.551 122.820 0.085 0.000 1.892 424 A HA -0.191 4.134 4.320 0.009 0.000 0.218 424 A C 2.708 180.358 177.584 0.111 0.000 1.188 424 A CA 2.264 54.353 52.037 0.086 0.000 0.631 424 A CB -1.026 18.015 19.000 0.068 0.000 0.822 424 A HN 0.457 nan 8.150 nan 0.000 0.447 425 A N -0.343 122.540 122.820 0.105 0.000 1.865 425 A HA -0.164 4.161 4.320 0.009 0.000 0.217 425 A C 2.498 180.176 177.584 0.157 0.000 1.191 425 A CA 3.014 55.133 52.037 0.137 0.000 0.623 425 A CB -1.608 17.458 19.000 0.111 0.000 0.826 425 A HN 0.849 nan 8.150 nan 0.000 0.444 426 T N -2.491 112.140 114.554 0.128 0.000 2.788 426 T HA -0.103 4.252 4.350 0.009 0.000 0.268 426 T C 1.701 176.535 174.700 0.223 0.000 1.044 426 T CA 1.461 63.666 62.100 0.175 0.000 1.139 426 T CB -0.863 68.078 68.868 0.122 0.000 0.867 426 T HN 0.065 nan 8.240 nan 0.000 0.454 427 V N 2.886 122.902 119.914 0.170 0.000 2.332 427 V HA -0.192 3.933 4.120 0.009 0.000 0.248 427 V C 3.220 179.406 176.094 0.153 0.000 1.055 427 V CA 2.195 64.585 62.300 0.150 0.000 1.038 427 V CB -1.045 30.846 31.823 0.114 0.000 0.651 427 V HN 0.816 nan 8.190 nan 0.000 0.450 428 S N -0.297 115.504 115.700 0.167 0.000 2.419 428 S HA -0.222 4.254 4.470 0.009 0.000 0.233 428 S C 1.930 176.652 174.600 0.204 0.000 1.016 428 S CA 1.573 59.873 58.200 0.166 0.000 0.974 428 S CB -0.721 62.582 63.200 0.173 0.000 0.786 428 S HN 0.531 nan 8.310 nan 0.000 0.492 429 F N 1.997 122.012 119.950 0.108 0.000 2.259 429 F HA 0.176 4.709 4.527 0.009 0.000 0.298 429 F C 2.174 178.064 175.800 0.150 0.000 1.088 429 F CA 0.907 58.984 58.000 0.127 0.000 1.358 429 F CB -0.316 38.737 39.000 0.088 0.000 1.040 429 F HN 0.093 nan 8.300 nan 0.000 0.505 430 M N 0.117 119.765 119.600 0.080 0.000 2.159 430 M HA -0.153 4.332 4.480 0.009 0.000 0.263 430 M C 2.177 178.442 176.300 -0.058 0.000 1.063 430 M CA 1.399 56.696 55.300 -0.005 0.000 1.110 430 M CB -1.153 31.502 32.600 0.091 0.000 1.374 430 M HN 0.069 nan 8.290 nan 0.000 0.411 431 K N -0.313 120.088 120.400 0.001 0.000 2.057 431 K HA -0.191 4.134 4.320 0.009 0.000 0.206 431 K C 1.978 178.558 176.600 -0.033 0.000 1.050 431 K CA 1.702 57.990 56.287 0.001 0.000 0.935 431 K CB -0.633 31.895 32.500 0.046 0.000 0.715 431 K HN 0.380 nan 8.250 nan 0.000 0.439 432 H N 0.032 119.014 119.070 -0.146 0.000 2.352 432 H HA -0.013 4.548 4.556 0.009 0.000 0.299 432 H C 1.698 176.867 175.328 -0.265 0.000 1.097 432 H CA 2.159 58.100 56.048 -0.178 0.000 1.311 432 H CB -0.160 29.481 29.762 -0.201 0.000 1.377 432 H HN 0.168 nan 8.280 nan 0.000 0.504 433 L N -0.006 120.936 121.223 -0.469 0.000 2.046 433 L HA -0.187 4.159 4.340 0.009 0.000 0.208 433 L C 2.062 178.774 176.870 -0.264 0.000 1.077 433 L CA 1.458 56.045 54.840 -0.422 0.000 0.747 433 L CB -0.377 41.476 42.059 -0.344 0.000 0.896 433 L HN 0.374 nan 8.230 nan 0.000 0.432 434 D N -0.118 120.172 120.400 -0.183 0.000 2.097 434 D HA -0.161 4.485 4.640 0.009 0.000 0.195 434 D C 1.947 178.172 176.300 -0.124 0.000 0.989 434 D CA 1.061 54.992 54.000 -0.115 0.000 0.827 434 D CB -0.374 40.384 40.800 -0.069 0.000 0.966 434 D HN 0.260 nan 8.370 nan 0.000 0.456 435 N N 0.991 119.605 118.700 -0.145 0.000 2.069 435 N HA -0.133 4.613 4.740 0.009 0.000 0.191 435 N C 1.620 177.041 175.510 -0.148 0.000 1.031 435 N CA 0.835 53.816 53.050 -0.114 0.000 0.852 435 N CB -0.221 38.222 38.487 -0.073 0.000 1.018 435 N HN 0.269 nan 8.380 nan 0.000 0.423 436 E N 0.532 120.564 120.200 -0.280 0.000 2.152 436 E HA -0.141 4.214 4.350 0.009 0.000 0.192 436 E C 1.874 178.375 176.600 -0.164 0.000 0.983 436 E CA 0.505 56.745 56.400 -0.268 0.000 0.818 436 E CB -0.115 29.323 29.700 -0.437 0.000 0.758 436 E HN 0.326 nan 8.360 nan 0.000 0.467 437 Q N 1.598 121.310 119.800 -0.147 0.000 2.050 437 Q HA -0.129 4.217 4.340 0.009 0.000 0.202 437 Q C 1.801 177.756 176.000 -0.076 0.000 0.980 437 Q CA 1.731 57.478 55.803 -0.094 0.000 0.840 437 Q CB 0.007 28.698 28.738 -0.078 0.000 0.898 437 Q HN 0.133 nan 8.270 nan 0.000 0.424 438 K N -0.812 119.545 120.400 -0.071 0.000 2.057 438 K HA 0.006 4.331 4.320 0.009 0.000 0.206 438 K C 1.982 178.553 176.600 -0.048 0.000 1.050 438 K CA 1.079 57.335 56.287 -0.052 0.000 0.935 438 K CB -0.145 32.330 32.500 -0.041 0.000 0.715 438 K HN 0.239 nan 8.250 nan 0.000 0.439 439 A N 1.095 123.884 122.820 -0.052 0.000 1.970 439 A HA -0.020 4.305 4.320 0.009 0.000 0.216 439 A C 1.733 179.289 177.584 -0.047 0.000 1.170 439 A CA 0.931 52.947 52.037 -0.036 0.000 0.645 439 A CB 0.069 19.062 19.000 -0.011 0.000 0.816 439 A HN 0.153 nan 8.150 nan 0.000 0.447 440 R N -2.509 117.950 120.500 -0.069 0.000 2.541 440 R HA 0.251 4.596 4.340 0.009 0.000 0.332 440 R C 0.795 177.052 176.300 -0.071 0.000 0.951 440 R CA 0.491 56.551 56.100 -0.066 0.000 1.136 440 R CB 0.677 30.934 30.300 -0.073 0.000 1.449 440 R HN 0.651 nan 8.270 nan 0.000 0.531 441 G N 1.078 109.831 108.800 -0.078 0.000 2.160 441 G HA2 -0.170 3.795 3.960 0.009 0.000 0.244 441 G HA3 -0.170 3.795 3.960 0.009 0.000 0.244 441 G C 0.201 175.063 174.900 -0.063 0.000 1.022 441 G CA 0.144 45.191 45.100 -0.088 0.000 0.741 441 G HN 0.725 nan 8.290 nan 0.000 0.508 442 G N -2.460 106.318 108.800 -0.036 0.000 2.352 442 G HA2 0.542 4.507 3.960 0.009 0.000 0.302 442 G HA3 0.542 4.507 3.960 0.009 0.000 0.302 442 G C -0.769 174.149 174.900 0.029 0.000 1.370 442 G CA 0.392 45.510 45.100 0.030 0.000 0.918 442 G HN 2.006 nan 8.290 nan 0.000 0.610 443 C N 2.060 121.405 119.300 0.075 0.000 2.817 443 C HA 0.714 5.180 4.460 0.009 0.000 0.385 443 C C -2.552 172.406 174.990 -0.053 0.000 1.050 443 C CA -1.146 57.869 59.018 -0.005 0.000 1.245 443 C CB 1.311 29.003 27.740 -0.080 0.000 1.706 443 C HN 0.737 nan 8.230 nan 0.000 0.488 444 P HA 0.401 nan 4.420 nan 0.000 0.271 444 P C -0.650 176.527 177.300 -0.205 0.000 1.226 444 P CA 0.602 63.285 63.100 -0.695 0.000 0.765 444 P CB 1.067 32.146 31.700 -1.036 0.000 0.835 445 A N 2.788 125.557 122.820 -0.085 0.000 2.488 445 A HA 0.381 4.706 4.320 0.009 0.000 0.298 445 A C -0.993 176.636 177.584 0.076 0.000 1.044 445 A CA -0.589 51.490 52.037 0.069 0.000 0.693 445 A CB 1.250 20.411 19.000 0.268 0.000 1.272 445 A HN 0.450 nan 8.150 nan 0.000 0.402 446 D N 2.165 122.600 120.400 0.058 0.000 2.428 446 D HA 0.127 4.772 4.640 0.009 0.000 0.221 446 D C 0.869 177.290 176.300 0.202 0.000 1.123 446 D CA -0.423 53.649 54.000 0.120 0.000 0.869 446 D CB 0.336 41.162 40.800 0.043 0.000 1.032 446 D HN 0.598 nan 8.370 nan 0.000 0.506 447 W N 4.379 125.718 121.300 0.065 0.000 2.301 447 W HA -0.338 4.328 4.660 0.010 0.000 0.325 447 W C 2.064 178.616 176.519 0.056 0.000 1.250 447 W CA 2.715 60.085 57.345 0.042 0.000 1.261 447 W CB -0.192 29.268 29.460 0.001 0.000 1.157 447 W HN 0.558 nan 8.180 nan 0.000 0.473 448 A N -1.243 121.850 122.820 0.455 0.000 2.032 448 A HA -0.243 4.083 4.320 0.009 0.000 0.221 448 A C 1.542 179.173 177.584 0.078 0.000 1.165 448 A CA 1.830 54.043 52.037 0.294 0.000 0.645 448 A CB -1.354 17.856 19.000 0.349 0.000 0.807 448 A HN 0.576 nan 8.150 nan 0.000 0.453 449 W N -0.952 120.314 121.300 -0.058 0.000 2.704 449 W HA 0.188 4.853 4.660 0.009 0.000 0.266 449 W C 1.889 178.291 176.519 -0.195 0.000 1.266 449 W CA -0.014 57.275 57.345 -0.093 0.000 1.377 449 W CB 0.018 29.451 29.460 -0.045 0.000 1.082 449 W HN 0.152 nan 8.180 nan 0.000 0.608 450 I N -0.287 120.232 120.570 -0.084 0.000 2.333 450 I HA -0.074 4.101 4.170 0.009 0.000 0.246 450 I C 0.700 176.613 176.117 -0.341 0.000 1.106 450 I CA 0.775 61.903 61.300 -0.286 0.000 1.411 450 I CB -1.483 36.287 38.000 -0.383 0.000 1.082 450 I HN -0.432 nan 8.210 nan 0.000 0.420 451 V N 4.024 123.638 119.914 -0.501 0.000 2.529 451 V HA 0.041 4.167 4.120 0.009 0.000 0.292 451 V C -1.932 173.983 176.094 -0.299 0.000 1.028 451 V CA -0.901 61.109 62.300 -0.483 0.000 1.074 451 V CB -0.030 31.274 31.823 -0.864 0.000 0.958 451 V HN 0.137 nan 8.190 nan 0.000 0.481 452 P HA 0.117 nan 4.420 nan 0.000 0.269 452 P C -1.684 175.486 177.300 -0.217 0.000 1.209 452 P CA -1.126 61.851 63.100 -0.205 0.000 0.776 452 P CB 0.090 31.681 31.700 -0.181 0.000 0.876 453 P HA -0.068 nan 4.420 nan 0.000 0.228 453 P C 0.181 177.361 177.300 -0.199 0.000 1.151 453 P CA 1.327 64.302 63.100 -0.209 0.000 0.770 453 P CB -0.028 31.540 31.700 -0.220 0.000 0.786 454 I N -7.013 113.399 120.570 -0.263 0.000 2.865 454 I HA 0.451 4.626 4.170 0.009 0.000 0.302 454 I C -0.075 175.915 176.117 -0.211 0.000 1.140 454 I CA -1.271 59.888 61.300 -0.235 0.000 1.021 454 I CB 2.004 39.838 38.000 -0.277 0.000 1.233 454 I HN -0.402 nan 8.210 nan 0.000 0.427 455 S N 2.133 117.770 115.700 -0.106 0.000 3.581 455 S HA -0.200 4.275 4.470 0.009 0.000 0.354 455 S C 1.392 175.967 174.600 -0.043 0.000 1.059 455 S CA 0.802 58.986 58.200 -0.027 0.000 1.060 455 S CB -1.777 61.488 63.200 0.109 0.000 0.908 455 S HN 1.300 nan 8.310 nan 0.000 0.475 456 G N 2.376 111.127 108.800 -0.083 0.000 2.681 456 G HA2 -0.357 3.609 3.960 0.009 0.000 0.220 456 G HA3 -0.357 3.609 3.960 0.009 0.000 0.220 456 G C 1.399 176.186 174.900 -0.187 0.000 1.210 456 G CA 1.603 46.670 45.100 -0.054 0.000 0.783 456 G HN 1.365 nan 8.290 nan 0.000 0.609 457 S N 0.244 115.554 115.700 -0.651 0.000 2.607 457 S HA 0.238 4.713 4.470 0.009 0.000 0.224 457 S C 1.985 176.501 174.600 -0.141 0.000 0.969 457 S CA 0.422 58.096 58.200 -0.877 0.000 0.927 457 S CB -0.093 62.365 63.200 -1.237 0.000 0.772 457 S HN 0.332 nan 8.310 nan 0.000 0.533 458 L N 1.794 123.001 121.223 -0.027 0.000 2.509 458 L HA 0.139 4.485 4.340 0.009 0.000 0.222 458 L C 1.353 178.346 176.870 0.205 0.000 1.123 458 L CA 0.518 55.427 54.840 0.115 0.000 0.856 458 L CB -0.724 41.432 42.059 0.161 0.000 0.985 458 L HN 0.483 nan 8.230 nan 0.000 0.456 459 T N -4.043 110.621 114.554 0.183 0.000 2.929 459 T HA 0.292 4.648 4.350 0.009 0.000 0.284 459 T C -1.602 173.253 174.700 0.258 0.000 1.014 459 T CA -1.968 60.260 62.100 0.213 0.000 1.051 459 T CB 1.842 70.792 68.868 0.136 0.000 1.028 459 T HN -0.185 nan 8.240 nan 0.000 0.485 460 P HA -0.090 nan 4.420 nan 0.000 0.218 460 P C 1.803 179.296 177.300 0.322 0.000 1.149 460 P CA 1.129 64.420 63.100 0.319 0.000 0.817 460 P CB -0.360 31.478 31.700 0.231 0.000 0.785 461 V N -3.697 116.358 119.914 0.235 0.000 2.594 461 V HA -0.196 3.929 4.120 0.009 0.000 0.253 461 V C 2.393 178.576 176.094 0.149 0.000 1.069 461 V CA 1.214 63.628 62.300 0.189 0.000 1.082 461 V CB -2.278 29.594 31.823 0.081 0.000 0.680 461 V HN -0.114 nan 8.190 nan 0.000 0.469 462 F N 1.696 121.614 119.950 -0.053 0.000 2.161 462 F HA -0.163 4.369 4.527 0.009 0.000 0.300 462 F C 2.462 178.325 175.800 0.104 0.000 1.089 462 F CA 2.192 60.161 58.000 -0.052 0.000 1.282 462 F CB -0.202 38.639 39.000 -0.264 0.000 1.010 462 F HN 0.274 nan 8.300 nan 0.000 0.485 463 H N -0.996 118.404 119.070 0.550 0.000 2.539 463 H HA 0.104 4.666 4.556 0.009 0.000 0.267 463 H C 0.265 175.840 175.328 0.412 0.000 0.982 463 H CA 0.211 56.536 56.048 0.461 0.000 1.146 463 H CB -0.221 29.788 29.762 0.411 0.000 1.382 463 H HN 0.247 nan 8.280 nan 0.000 0.577 464 Q N 2.047 122.113 119.800 0.443 0.000 2.340 464 Q HA 0.156 4.501 4.340 0.009 0.000 0.259 464 Q C -0.516 175.716 176.000 0.387 0.000 0.964 464 Q CA -0.387 55.639 55.803 0.371 0.000 0.900 464 Q CB 0.719 29.642 28.738 0.308 0.000 1.228 464 Q HN 0.244 nan 8.270 nan 0.000 0.449 465 E N 3.357 123.742 120.200 0.308 0.000 2.404 465 E HA 0.275 4.630 4.350 0.009 0.000 0.261 465 E C -0.479 176.263 176.600 0.237 0.000 1.074 465 E CA 0.241 56.779 56.400 0.230 0.000 0.917 465 E CB 0.828 30.643 29.700 0.192 0.000 0.965 465 E HN 0.599 nan 8.360 nan 0.000 0.433 466 M N 1.297 121.036 119.600 0.232 0.000 2.501 466 M HA 0.355 4.841 4.480 0.009 0.000 0.293 466 M C -1.245 175.166 176.300 0.184 0.000 1.192 466 M CA -0.946 54.494 55.300 0.234 0.000 0.886 466 M CB 2.447 35.238 32.600 0.318 0.000 1.710 466 M HN 0.147 nan 8.290 nan 0.000 0.457 467 V N 1.677 121.705 119.914 0.189 0.000 2.417 467 V HA 0.420 4.546 4.120 0.009 0.000 0.291 467 V C -0.602 175.601 176.094 0.180 0.000 1.024 467 V CA -0.712 61.726 62.300 0.230 0.000 0.861 467 V CB 1.606 33.624 31.823 0.326 0.000 0.985 467 V HN 0.882 nan 8.190 nan 0.000 0.436 468 N N 3.504 122.301 118.700 0.162 0.000 2.362 468 N HA 0.720 5.466 4.740 0.009 0.000 0.298 468 N C -1.654 173.938 175.510 0.137 0.000 1.048 468 N CA -0.415 52.641 53.050 0.011 0.000 0.858 468 N CB 1.788 40.298 38.487 0.039 0.000 1.218 468 N HN 0.734 nan 8.380 nan 0.000 0.488 469 Y N 0.486 120.807 120.300 0.034 0.000 2.702 469 Y HA 0.431 4.987 4.550 0.009 0.000 0.336 469 Y C -1.509 174.395 175.900 0.006 0.000 1.203 469 Y CA -1.155 56.958 58.100 0.023 0.000 1.072 469 Y CB 0.564 39.043 38.460 0.031 0.000 1.327 469 Y HN 0.198 nan 8.280 nan 0.000 0.456 470 I N 3.722 124.399 120.570 0.178 0.000 2.312 470 I HA 0.380 4.555 4.170 0.009 0.000 0.291 470 I C -0.687 175.501 176.117 0.118 0.000 1.031 470 I CA -0.302 61.046 61.300 0.081 0.000 1.293 470 I CB 0.655 38.683 38.000 0.047 0.000 1.403 470 I HN 0.412 nan 8.210 nan 0.000 0.484 471 L N 5.265 126.528 121.223 0.067 0.000 2.342 471 L HA 0.563 4.909 4.340 0.009 0.000 0.271 471 L C -0.005 176.868 176.870 0.006 0.000 1.008 471 L CA -0.500 54.381 54.840 0.068 0.000 0.818 471 L CB 2.043 44.147 42.059 0.076 0.000 1.296 471 L HN 0.509 nan 8.230 nan 0.000 0.427 472 S N 1.990 117.702 115.700 0.020 0.000 2.503 472 S HA 0.637 5.113 4.470 0.009 0.000 0.301 472 S C -2.556 172.065 174.600 0.034 0.000 1.087 472 S CA -1.459 56.739 58.200 -0.004 0.000 1.042 472 S CB 1.830 65.039 63.200 0.015 0.000 1.043 472 S HN 0.248 nan 8.310 nan 0.000 0.489 473 P HA 0.334 nan 4.420 nan 0.000 0.267 473 P C -1.222 175.953 177.300 -0.207 0.000 1.195 473 P CA 0.139 63.152 63.100 -0.145 0.000 0.773 473 P CB 0.428 32.002 31.700 -0.211 0.000 0.837 474 A N 1.459 124.107 122.820 -0.287 0.000 2.610 474 A HA 0.682 5.007 4.320 0.009 0.000 0.291 474 A C -1.695 175.652 177.584 -0.395 0.000 1.086 474 A CA -0.515 51.350 52.037 -0.287 0.000 0.677 474 A CB 0.796 19.710 19.000 -0.143 0.000 1.278 474 A HN 0.335 nan 8.150 nan 0.000 0.414 475 F N 1.044 120.887 119.950 -0.179 0.000 2.404 475 F HA 0.641 5.173 4.527 0.008 0.000 0.354 475 F C 0.916 176.583 175.800 -0.221 0.000 1.122 475 F CA -0.027 57.859 58.000 -0.190 0.000 1.080 475 F CB 1.806 40.639 39.000 -0.279 0.000 1.131 475 F HN 0.540 nan 8.300 nan 0.000 0.471 476 R N 1.824 122.322 120.500 -0.003 0.000 2.888 476 R HA 0.491 4.836 4.340 0.009 0.000 0.266 476 R C -1.484 174.763 176.300 -0.088 0.000 1.020 476 R CA -1.229 54.795 56.100 -0.127 0.000 0.963 476 R CB 1.597 31.865 30.300 -0.053 0.000 1.197 476 R HN 0.387 nan 8.270 nan 0.000 0.481 477 Y N 1.272 121.588 120.300 0.027 0.000 2.314 477 Y HA 0.156 4.711 4.550 0.009 0.000 0.334 477 Y C 0.534 176.431 175.900 -0.004 0.000 1.266 477 Y CA -0.193 57.914 58.100 0.013 0.000 1.391 477 Y CB 0.842 39.297 38.460 -0.008 0.000 1.306 477 Y HN 0.451 nan 8.280 nan 0.000 0.558 478 Q N 1.144 121.038 119.800 0.157 0.000 2.416 478 Q HA 0.619 4.964 4.340 0.009 0.000 0.281 478 Q C -3.171 172.799 176.000 -0.052 0.000 1.067 478 Q CA -2.475 53.350 55.803 0.038 0.000 0.809 478 Q CB 2.174 30.928 28.738 0.026 0.000 1.418 478 Q HN 0.263 nan 8.270 nan 0.000 0.411 479 P HA 0.030 nan 4.420 nan 0.000 0.268 479 P C -0.914 176.173 177.300 -0.354 0.000 1.208 479 P CA 0.059 63.031 63.100 -0.212 0.000 0.777 479 P CB 0.424 32.015 31.700 -0.183 0.000 0.875 480 D N 3.321 123.369 120.400 -0.586 0.000 2.389 480 D HA 0.011 4.656 4.640 0.009 0.000 0.247 480 D C -1.046 174.669 176.300 -0.975 0.000 1.128 480 D CA -0.950 52.422 54.000 -1.046 0.000 0.884 480 D CB 0.433 40.071 40.800 -1.938 0.000 1.194 480 D HN 0.301 nan 8.370 nan 0.000 0.441 481 P HA -0.086 nan 4.420 nan 0.000 0.228 481 P C 0.188 177.159 177.300 -0.549 0.000 1.151 481 P CA 0.798 63.520 63.100 -0.629 0.000 0.770 481 P CB 0.105 31.437 31.700 -0.614 0.000 0.786 482 W N 0.000 120.914 121.300 -0.644 0.000 2.388 482 W HA 0.000 4.665 4.660 0.009 0.000 0.303 482 W CA 0.000 57.109 57.345 -0.393 0.000 1.226 482 W CB 0.000 29.196 29.460 -0.439 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535