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 7nse_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 3.964 3.960 0.007 0.000 0.244 67 G C 0.000 174.827 174.900 -0.122 0.000 0.946 67 G CA 0.000 45.070 45.100 -0.050 0.000 0.502 68 P HA 0.305 nan 4.420 nan 0.000 0.269 68 P C 0.129 177.319 177.300 -0.184 0.000 1.209 68 P CA -0.133 62.795 63.100 -0.287 0.000 0.776 68 P CB 1.075 32.397 31.700 -0.630 0.000 0.876 69 K N 1.560 121.728 120.400 -0.386 0.000 2.632 69 K HA 0.050 4.375 4.320 0.007 0.000 0.196 69 K C -0.562 175.600 176.600 -0.730 0.000 1.023 69 K CA 0.170 56.120 56.287 -0.563 0.000 1.098 69 K CB -0.309 31.784 32.500 -0.678 0.000 0.862 69 K HN 0.346 nan 8.250 nan 0.000 0.504 70 F N 0.158 120.150 119.950 0.070 0.000 2.556 70 F HA 0.390 4.922 4.527 0.008 0.000 0.327 70 F C -2.089 173.826 175.800 0.192 0.000 1.059 70 F CA -3.234 54.831 58.000 0.109 0.000 0.953 70 F CB 0.475 39.536 39.000 0.101 0.000 1.227 70 F HN -0.150 nan 8.300 nan 0.000 0.478 71 P HA -0.009 nan 4.420 nan 0.000 0.260 71 P C -0.648 176.700 177.300 0.080 0.000 1.172 71 P CA 0.183 63.374 63.100 0.151 0.000 0.760 71 P CB 0.362 32.130 31.700 0.114 0.000 0.773 72 R N 3.067 123.542 120.500 -0.041 0.000 2.308 72 R HA 0.441 4.786 4.340 0.007 0.000 0.305 72 R C -1.130 175.039 176.300 -0.218 0.000 1.053 72 R CA -0.518 55.366 56.100 -0.360 0.000 0.957 72 R CB 0.569 30.693 30.300 -0.293 0.000 1.022 72 R HN 0.215 nan 8.270 nan 0.000 0.461 73 V N 4.573 124.324 119.914 -0.271 0.000 2.588 73 V HA 0.400 4.525 4.120 0.007 0.000 0.304 73 V C -0.480 175.524 176.094 -0.152 0.000 1.042 73 V CA -0.836 61.389 62.300 -0.125 0.000 0.877 73 V CB 1.666 33.457 31.823 -0.053 0.000 0.996 73 V HN 0.744 nan 8.190 nan 0.000 0.425 74 K N 3.350 123.683 120.400 -0.111 0.000 2.328 74 K HA 0.475 4.799 4.320 0.007 0.000 0.246 74 K C -0.820 175.706 176.600 -0.122 0.000 0.955 74 K CA -0.736 55.420 56.287 -0.219 0.000 0.817 74 K CB 1.808 34.026 32.500 -0.470 0.000 1.208 74 K HN 0.739 nan 8.250 nan 0.000 0.432 75 N N 3.845 122.457 118.700 -0.147 0.000 2.476 75 N HA 0.115 4.859 4.740 0.007 0.000 0.257 75 N C -0.369 175.121 175.510 -0.033 0.000 0.970 75 N CA -0.386 52.684 53.050 0.034 0.000 0.938 75 N CB 0.506 39.029 38.487 0.060 0.000 1.144 75 N HN 0.668 nan 8.380 nan 0.000 0.500 76 W N 2.046 123.416 121.300 0.117 0.000 2.825 76 W HA 0.077 4.741 4.660 0.007 0.000 0.243 76 W C 2.045 178.599 176.519 0.059 0.000 1.293 76 W CA -0.007 57.395 57.345 0.095 0.000 1.403 76 W CB 0.240 29.776 29.460 0.125 0.000 1.134 76 W HN 0.657 nan 8.180 nan 0.000 0.666 77 E N 0.253 120.582 120.200 0.216 0.000 2.140 77 E HA -0.077 4.277 4.350 0.007 0.000 0.191 77 E C 1.635 178.259 176.600 0.041 0.000 0.973 77 E CA 0.904 57.340 56.400 0.060 0.000 0.829 77 E CB -0.112 29.595 29.700 0.013 0.000 0.781 77 E HN 0.271 nan 8.360 nan 0.000 0.466 78 L N -1.027 120.220 121.223 0.041 0.000 2.638 78 L HA 0.364 4.708 4.340 0.007 0.000 0.232 78 L C 1.478 178.334 176.870 -0.025 0.000 1.099 78 L CA 0.381 55.227 54.840 0.011 0.000 0.883 78 L CB 0.839 42.910 42.059 0.019 0.000 1.136 78 L HN 0.362 nan 8.230 nan 0.000 0.492 79 G N 0.541 109.303 108.800 -0.063 0.000 2.189 79 G HA2 -0.329 3.635 3.960 0.007 0.000 0.267 79 G HA3 -0.329 3.635 3.960 0.007 0.000 0.267 79 G C 0.430 175.247 174.900 -0.139 0.000 0.975 79 G CA 0.489 45.509 45.100 -0.134 0.000 0.644 79 G HN 0.463 nan 8.290 nan 0.000 0.537 80 S N 0.096 115.738 115.700 -0.097 0.000 2.585 80 S HA 0.737 5.212 4.470 0.007 0.000 0.273 80 S C 0.240 174.768 174.600 -0.120 0.000 1.339 80 S CA -0.526 57.625 58.200 -0.082 0.000 1.028 80 S CB 1.918 65.093 63.200 -0.042 0.000 0.906 80 S HN 0.428 nan 8.310 nan 0.000 0.528 81 I N 1.835 122.342 120.570 -0.106 0.000 2.740 81 I HA 0.640 4.815 4.170 0.007 0.000 0.303 81 I C 0.228 176.274 176.117 -0.119 0.000 1.044 81 I CA -0.219 60.992 61.300 -0.150 0.000 1.064 81 I CB 1.813 39.723 38.000 -0.149 0.000 1.249 81 I HN 1.080 nan 8.210 nan 0.000 0.433 82 T N 1.305 115.738 114.554 -0.202 0.000 2.889 82 T HA 0.642 4.996 4.350 0.007 0.000 0.315 82 T C -1.447 173.085 174.700 -0.280 0.000 1.291 82 T CA -0.697 61.330 62.100 -0.121 0.000 1.028 82 T CB 1.644 70.477 68.868 -0.058 0.000 1.235 82 T HN 0.252 nan 8.240 nan 0.000 0.491 83 Y N 0.612 120.912 120.300 0.000 0.000 2.393 83 Y HA 0.511 5.065 4.550 0.007 0.000 0.341 83 Y C 0.157 176.043 175.900 -0.023 0.000 0.988 83 Y CA -0.835 57.281 58.100 0.026 0.000 1.078 83 Y CB 1.726 40.224 38.460 0.064 0.000 1.203 83 Y HN 0.726 nan 8.280 nan 0.000 0.453 84 D N 2.103 122.577 120.400 0.122 0.000 2.428 84 D HA 0.093 4.738 4.640 0.007 0.000 0.221 84 D C 0.546 176.805 176.300 -0.069 0.000 1.123 84 D CA 0.070 54.089 54.000 0.032 0.000 0.869 84 D CB 1.185 42.028 40.800 0.072 0.000 1.032 84 D HN 0.814 nan 8.370 nan 0.000 0.506 85 T N 1.219 115.610 114.554 -0.271 0.000 3.051 85 T HA -0.079 4.275 4.350 0.007 0.000 0.255 85 T C 1.890 176.404 174.700 -0.309 0.000 1.085 85 T CA -0.204 61.547 62.100 -0.581 0.000 1.109 85 T CB 0.152 68.562 68.868 -0.763 0.000 0.921 85 T HN 0.262 nan 8.240 nan 0.000 0.488 86 L N 2.668 123.772 121.223 -0.199 0.000 2.131 86 L HA -0.014 4.331 4.340 0.007 0.000 0.210 86 L C 2.590 179.297 176.870 -0.270 0.000 1.092 86 L CA 1.133 55.892 54.840 -0.136 0.000 0.759 86 L CB -1.113 40.949 42.059 0.005 0.000 0.903 86 L HN 0.651 nan 8.230 nan 0.000 0.435 87 C N -1.594 117.346 119.300 -0.601 0.000 2.419 87 C HA 0.050 4.515 4.460 0.007 0.000 0.283 87 C C 2.790 177.543 174.990 -0.396 0.000 1.373 87 C CA 0.154 58.538 59.018 -1.056 0.000 1.781 87 C CB -2.298 24.793 27.740 -1.081 0.000 1.886 87 C HN 0.591 nan 8.230 nan 0.000 0.520 88 A N 0.160 122.872 122.820 -0.180 0.000 2.067 88 A HA -0.094 4.230 4.320 0.007 0.000 0.219 88 A C 2.266 179.828 177.584 -0.037 0.000 1.158 88 A CA 1.420 53.435 52.037 -0.037 0.000 0.661 88 A CB -0.408 18.634 19.000 0.068 0.000 0.801 88 A HN 0.659 nan 8.150 nan 0.000 0.452 89 Q N 0.062 119.826 119.800 -0.061 0.000 2.389 89 Q HA 0.058 4.402 4.340 0.007 0.000 0.204 89 Q C 1.043 177.054 176.000 0.018 0.000 0.944 89 Q CA 0.519 56.316 55.803 -0.010 0.000 0.908 89 Q CB -0.542 28.197 28.738 0.001 0.000 1.002 89 Q HN 0.534 nan 8.270 nan 0.000 0.493 90 S N 0.991 116.694 115.700 0.005 0.000 2.549 90 S HA -0.013 4.461 4.470 0.007 0.000 0.286 90 S C 0.756 175.384 174.600 0.047 0.000 1.314 90 S CA 0.129 58.368 58.200 0.065 0.000 1.062 90 S CB 0.477 63.733 63.200 0.094 0.000 0.865 90 S HN 0.098 nan 8.310 nan 0.000 0.498 91 Q N 1.836 121.671 119.800 0.057 0.000 2.164 91 Q HA 0.252 4.596 4.340 0.007 0.000 0.226 91 Q C -0.463 175.564 176.000 0.045 0.000 0.813 91 Q CA -0.017 55.814 55.803 0.046 0.000 0.978 91 Q CB 0.787 29.554 28.738 0.048 0.000 1.149 91 Q HN 0.768 nan 8.270 nan 0.000 0.489 92 Q N 1.226 121.057 119.800 0.052 0.000 2.330 92 Q HA 0.274 4.618 4.340 0.007 0.000 0.269 92 Q C -1.162 174.869 176.000 0.052 0.000 1.022 92 Q CA -0.301 55.529 55.803 0.045 0.000 0.796 92 Q CB 1.200 29.961 28.738 0.037 0.000 1.271 92 Q HN -0.145 nan 8.270 nan 0.000 0.450 93 D N 1.911 122.336 120.400 0.043 0.000 2.382 93 D HA 0.410 5.054 4.640 0.007 0.000 0.240 93 D C 0.015 176.344 176.300 0.049 0.000 1.146 93 D CA 0.455 54.483 54.000 0.045 0.000 0.897 93 D CB 1.071 41.893 40.800 0.036 0.000 1.197 93 D HN 0.682 nan 8.370 nan 0.000 0.432 94 G N 0.071 108.904 108.800 0.055 0.000 2.601 94 G HA2 0.396 4.360 3.960 0.007 0.000 0.317 94 G HA3 0.396 4.360 3.960 0.007 0.000 0.317 94 G C -1.757 173.173 174.900 0.050 0.000 1.246 94 G CA -0.847 44.287 45.100 0.056 0.000 1.012 94 G HN 0.238 nan 8.290 nan 0.000 0.494 95 P HA 0.032 nan 4.420 nan 0.000 0.222 95 P C 0.701 178.027 177.300 0.044 0.000 1.153 95 P CA 0.247 63.376 63.100 0.048 0.000 0.798 95 P CB 0.097 31.830 31.700 0.056 0.000 0.796 96 C N 0.930 120.259 119.300 0.048 0.000 2.649 96 C HA 0.479 4.943 4.460 0.007 0.000 0.377 96 C C 1.163 176.174 174.990 0.035 0.000 1.321 96 C CA 0.285 59.328 59.018 0.042 0.000 2.368 96 C CB 0.180 27.949 27.740 0.048 0.000 2.597 96 C HN 0.392 nan 8.230 nan 0.000 0.678 97 T N -2.025 112.546 114.554 0.030 0.000 2.821 97 T HA 0.387 4.742 4.350 0.007 0.000 0.306 97 T C -2.583 172.129 174.700 0.020 0.000 1.313 97 T CA -0.987 61.127 62.100 0.024 0.000 1.012 97 T CB 1.286 70.166 68.868 0.020 0.000 1.298 97 T HN 0.257 nan 8.240 nan 0.000 0.502 98 P HA 0.055 nan 4.420 nan 0.000 0.225 98 P C 1.466 178.773 177.300 0.011 0.000 1.148 98 P CA 0.393 63.501 63.100 0.013 0.000 0.779 98 P CB 0.165 31.871 31.700 0.010 0.000 0.780 99 R N -0.156 120.351 120.500 0.012 0.000 2.093 99 R HA 0.084 4.428 4.340 0.007 0.000 0.224 99 R C 1.146 177.453 176.300 0.011 0.000 1.101 99 R CA 1.063 57.169 56.100 0.010 0.000 0.979 99 R CB -0.434 29.872 30.300 0.010 0.000 0.877 99 R HN 0.299 nan 8.270 nan 0.000 0.441 100 R N -0.874 119.635 120.500 0.014 0.000 2.634 100 R HA 0.144 4.488 4.340 0.007 0.000 0.263 100 R C -1.489 174.823 176.300 0.021 0.000 1.060 100 R CA -0.706 55.404 56.100 0.015 0.000 0.898 100 R CB 0.152 30.461 30.300 0.015 0.000 1.253 100 R HN -0.006 nan 8.270 nan 0.000 0.461 101 C N 3.466 122.778 119.300 0.021 0.000 2.281 101 C HA 0.488 4.952 4.460 0.007 0.000 0.336 101 C C 0.390 175.402 174.990 0.036 0.000 1.217 101 C CA -0.568 58.468 59.018 0.029 0.000 1.730 101 C CB -1.066 26.688 27.740 0.023 0.000 2.338 101 C HN 0.608 nan 8.230 nan 0.000 0.521 102 L N 5.895 127.145 121.223 0.045 0.000 2.848 102 L HA 0.328 4.673 4.340 0.007 0.000 0.240 102 L C 1.974 178.888 176.870 0.072 0.000 1.232 102 L CA 0.667 55.538 54.840 0.053 0.000 1.031 102 L CB -0.123 41.965 42.059 0.049 0.000 1.338 102 L HN 0.980 nan 8.230 nan 0.000 0.509 103 G N -1.211 107.635 108.800 0.076 0.000 2.679 103 G HA2 -0.145 3.819 3.960 0.007 0.000 0.212 103 G HA3 -0.145 3.819 3.960 0.007 0.000 0.212 103 G C 1.364 176.348 174.900 0.140 0.000 1.137 103 G CA 0.910 46.071 45.100 0.100 0.000 0.787 103 G HN 0.508 nan 8.290 nan 0.000 0.534 104 S N -0.335 115.441 115.700 0.127 0.000 2.556 104 S HA 0.335 4.809 4.470 0.007 0.000 0.216 104 S C 0.783 175.481 174.600 0.165 0.000 0.970 104 S CA -0.567 57.726 58.200 0.154 0.000 0.912 104 S CB -0.058 63.206 63.200 0.106 0.000 0.790 104 S HN 0.124 nan 8.310 nan 0.000 0.504 105 L N 2.246 123.556 121.223 0.144 0.000 2.367 105 L HA 0.255 4.599 4.340 0.007 0.000 0.275 105 L C 1.450 178.442 176.870 0.204 0.000 1.129 105 L CA -0.592 54.330 54.840 0.137 0.000 0.839 105 L CB 0.818 42.935 42.059 0.097 0.000 1.133 105 L HN 0.006 nan 8.230 nan 0.000 0.453 106 V N 4.438 124.484 119.914 0.221 0.000 2.307 106 V HA -0.179 3.945 4.120 0.007 0.000 0.245 106 V C 1.022 177.244 176.094 0.213 0.000 1.045 106 V CA 1.425 63.919 62.300 0.323 0.000 1.024 106 V CB -0.284 31.700 31.823 0.268 0.000 0.651 106 V HN 0.564 nan 8.190 nan 0.000 0.449 107 L N 2.753 124.034 121.223 0.097 0.000 2.502 107 L HA 0.404 4.748 4.340 0.007 0.000 0.247 107 L C -2.361 174.548 176.870 0.066 0.000 1.180 107 L CA -1.191 53.676 54.840 0.046 0.000 0.956 107 L CB 0.896 42.908 42.059 -0.079 0.000 1.282 107 L HN 0.238 nan 8.230 nan 0.000 0.470 108 P HA 0.248 nan 4.420 nan 0.000 0.280 108 P C -0.254 177.085 177.300 0.065 0.000 1.272 108 P CA -0.761 62.380 63.100 0.070 0.000 0.819 108 P CB 1.302 33.046 31.700 0.074 0.000 1.122 109 R N 0.824 121.353 120.500 0.047 0.000 3.907 109 R HA 0.082 4.426 4.340 0.007 0.000 0.241 109 R C 0.588 176.915 176.300 0.045 0.000 1.784 109 R CA 0.149 56.275 56.100 0.043 0.000 1.509 109 R CB -0.084 30.233 30.300 0.028 0.000 1.275 109 R HN 0.271 nan 8.270 nan 0.000 0.642 110 K N -0.227 120.207 120.400 0.057 0.000 2.521 110 K HA 0.150 4.474 4.320 0.007 0.000 0.213 110 K C 0.626 177.254 176.600 0.048 0.000 1.223 110 K CA 0.154 56.470 56.287 0.049 0.000 1.013 110 K CB 1.095 33.623 32.500 0.047 0.000 1.017 110 K HN 0.204 nan 8.250 nan 0.000 0.591 111 L N 0.560 121.826 121.223 0.072 0.000 3.135 111 L HA 0.257 4.601 4.340 0.007 0.000 0.279 111 L C 0.074 177.001 176.870 0.095 0.000 1.200 111 L CA -0.118 54.751 54.840 0.047 0.000 1.016 111 L CB 0.752 42.833 42.059 0.037 0.000 1.391 111 L HN -0.043 nan 8.230 nan 0.000 0.588 112 Q N 1.551 121.429 119.800 0.130 0.000 2.333 112 Q HA 0.345 4.689 4.340 0.007 0.000 0.265 112 Q C -0.621 175.420 176.000 0.068 0.000 0.989 112 Q CA -0.383 55.506 55.803 0.143 0.000 0.842 112 Q CB 1.587 30.404 28.738 0.132 0.000 1.262 112 Q HN 0.150 nan 8.270 nan 0.000 0.451 113 T N 2.371 116.959 114.554 0.057 0.000 2.811 113 T HA 0.464 4.818 4.350 0.007 0.000 0.309 113 T C 0.041 174.749 174.700 0.013 0.000 1.005 113 T CA -0.850 61.265 62.100 0.026 0.000 0.955 113 T CB 0.537 69.415 68.868 0.016 0.000 0.970 113 T HN 0.509 nan 8.240 nan 0.000 0.496 114 R N 3.411 123.913 120.500 0.003 0.000 2.861 114 R HA 0.258 4.603 4.340 0.007 0.000 0.268 114 R C -2.024 174.263 176.300 -0.021 0.000 1.027 114 R CA -1.338 54.754 56.100 -0.014 0.000 1.163 114 R CB -0.132 30.161 30.300 -0.012 0.000 1.060 114 R HN 0.448 nan 8.270 nan 0.000 0.483 115 P HA 0.105 nan 4.420 nan 0.000 0.280 115 P C -1.258 176.028 177.300 -0.024 0.000 1.244 115 P CA -0.332 62.748 63.100 -0.032 0.000 0.784 115 P CB 1.219 32.891 31.700 -0.045 0.000 0.913 116 S N 3.486 119.173 115.700 -0.022 0.000 2.642 116 S HA 0.245 4.720 4.470 0.007 0.000 0.309 116 S C -1.096 173.494 174.600 -0.016 0.000 1.125 116 S CA -1.052 57.137 58.200 -0.018 0.000 1.055 116 S CB 0.143 63.331 63.200 -0.020 0.000 1.157 116 S HN 0.401 nan 8.310 nan 0.000 0.513 117 P HA 0.072 nan 4.420 nan 0.000 0.223 117 P C 0.669 177.965 177.300 -0.006 0.000 1.151 117 P CA 0.663 63.758 63.100 -0.009 0.000 0.787 117 P CB -0.084 31.612 31.700 -0.007 0.000 0.788 118 G N 1.133 109.929 108.800 -0.006 0.000 2.448 118 G HA2 0.520 4.484 3.960 0.007 0.000 0.324 118 G HA3 0.520 4.484 3.960 0.007 0.000 0.324 118 G C -2.926 171.969 174.900 -0.007 0.000 1.203 118 G CA -1.500 43.597 45.100 -0.004 0.000 0.954 118 G HN -0.101 nan 8.290 nan 0.000 0.480 119 P HA 0.198 nan 4.420 nan 0.000 0.268 119 P C -2.515 174.782 177.300 -0.005 0.000 1.205 119 P CA -0.836 62.258 63.100 -0.010 0.000 0.771 119 P CB 0.308 32.005 31.700 -0.005 0.000 0.858 120 P HA 0.146 nan 4.420 nan 0.000 0.265 120 P C -2.255 175.051 177.300 0.010 0.000 1.193 120 P CA -0.601 62.499 63.100 0.000 0.000 0.765 120 P CB -1.047 30.652 31.700 -0.002 0.000 0.823 121 P HA -0.072 nan 4.420 nan 0.000 0.260 121 P C 0.717 178.029 177.300 0.020 0.000 1.185 121 P CA 0.468 63.577 63.100 0.014 0.000 0.763 121 P CB 0.285 31.993 31.700 0.013 0.000 0.776 122 A N 4.323 127.156 122.820 0.021 0.000 2.023 122 A HA -0.304 4.021 4.320 0.007 0.000 0.223 122 A C 1.922 179.522 177.584 0.027 0.000 1.180 122 A CA 2.012 54.065 52.037 0.027 0.000 0.659 122 A CB -0.802 18.213 19.000 0.024 0.000 0.817 122 A HN 0.516 nan 8.150 nan 0.000 0.466 123 E N -0.855 119.357 120.200 0.021 0.000 2.072 123 E HA -0.161 4.193 4.350 0.007 0.000 0.190 123 E C 2.215 178.830 176.600 0.025 0.000 0.982 123 E CA 1.440 57.852 56.400 0.020 0.000 0.803 123 E CB -0.275 29.435 29.700 0.015 0.000 0.755 123 E HN 0.910 nan 8.360 nan 0.000 0.453 124 Q N 0.517 120.333 119.800 0.026 0.000 2.083 124 Q HA -0.098 4.246 4.340 0.007 0.000 0.198 124 Q C 2.141 178.167 176.000 0.043 0.000 0.969 124 Q CA 1.059 56.880 55.803 0.031 0.000 0.838 124 Q CB -0.257 28.497 28.738 0.025 0.000 0.900 124 Q HN 0.341 nan 8.270 nan 0.000 0.436 125 L N 0.066 121.318 121.223 0.048 0.000 2.046 125 L HA -0.157 4.188 4.340 0.007 0.000 0.208 125 L C 2.267 179.190 176.870 0.087 0.000 1.077 125 L CA 0.965 55.850 54.840 0.077 0.000 0.747 125 L CB -0.349 41.759 42.059 0.081 0.000 0.896 125 L HN 0.441 nan 8.230 nan 0.000 0.432 126 L N 0.056 121.310 121.223 0.052 0.000 2.042 126 L HA -0.205 4.139 4.340 0.007 0.000 0.210 126 L C 2.959 179.844 176.870 0.026 0.000 1.076 126 L CA 2.362 57.214 54.840 0.020 0.000 0.749 126 L CB -1.207 40.856 42.059 0.007 0.000 0.893 126 L HN 0.461 nan 8.230 nan 0.000 0.432 127 S N -1.541 114.182 115.700 0.039 0.000 2.402 127 S HA -0.208 4.266 4.470 0.007 0.000 0.229 127 S C 1.756 176.399 174.600 0.072 0.000 1.021 127 S CA 0.809 59.036 58.200 0.046 0.000 0.974 127 S CB -0.363 62.861 63.200 0.039 0.000 0.800 127 S HN 0.544 nan 8.310 nan 0.000 0.484 128 Q N 1.088 120.942 119.800 0.089 0.000 2.123 128 Q HA 0.144 4.488 4.340 0.007 0.000 0.199 128 Q C 2.611 178.725 176.000 0.189 0.000 0.966 128 Q CA 1.168 57.046 55.803 0.125 0.000 0.845 128 Q CB -0.460 28.344 28.738 0.110 0.000 0.907 128 Q HN 0.737 nan 8.270 nan 0.000 0.439 129 A N 1.423 124.342 122.820 0.165 0.000 1.873 129 A HA -0.185 4.139 4.320 0.007 0.000 0.215 129 A C 2.026 179.669 177.584 0.100 0.000 1.186 129 A CA 1.216 53.336 52.037 0.139 0.000 0.616 129 A CB -0.404 18.491 19.000 -0.175 0.000 0.823 129 A HN 0.177 nan 8.150 nan 0.000 0.442 130 R N -0.651 119.879 120.500 0.049 0.000 2.091 130 R HA -0.193 4.152 4.340 0.007 0.000 0.238 130 R C 2.045 178.411 176.300 0.110 0.000 1.136 130 R CA 1.805 57.940 56.100 0.059 0.000 0.959 130 R CB -0.462 29.860 30.300 0.037 0.000 0.856 130 R HN 0.724 nan 8.270 nan 0.000 0.437 131 D N -0.133 120.344 120.400 0.128 0.000 2.097 131 D HA -0.201 4.443 4.640 0.007 0.000 0.195 131 D C 1.658 178.067 176.300 0.181 0.000 0.989 131 D CA 0.986 55.071 54.000 0.141 0.000 0.827 131 D CB -0.069 40.814 40.800 0.139 0.000 0.966 131 D HN 0.117 nan 8.370 nan 0.000 0.456 132 F N 0.976 121.005 119.950 0.133 0.000 2.102 132 F HA -0.107 4.424 4.527 0.006 0.000 0.298 132 F C 1.928 177.845 175.800 0.195 0.000 1.105 132 F CA 1.041 59.151 58.000 0.183 0.000 1.239 132 F CB -0.371 38.750 39.000 0.202 0.000 0.991 132 F HN -0.008 nan 8.300 nan 0.000 0.474 133 I N 1.078 121.551 120.570 -0.161 0.000 2.208 133 I HA -0.333 3.841 4.170 0.007 0.000 0.245 133 I C 1.963 177.987 176.117 -0.154 0.000 1.097 133 I CA 1.351 62.541 61.300 -0.184 0.000 1.363 133 I CB -1.767 36.281 38.000 0.080 0.000 1.051 133 I HN 0.224 nan 8.210 nan 0.000 0.413 134 N N 0.997 119.673 118.700 -0.039 0.000 2.166 134 N HA -0.191 4.553 4.740 0.007 0.000 0.186 134 N C 1.819 177.240 175.510 -0.150 0.000 1.019 134 N CA 1.073 54.096 53.050 -0.046 0.000 0.856 134 N CB -0.383 38.176 38.487 0.121 0.000 0.993 134 N HN 0.528 nan 8.380 nan 0.000 0.426 135 Q N -0.852 118.871 119.800 -0.130 0.000 2.119 135 Q HA -0.146 4.198 4.340 0.007 0.000 0.201 135 Q C 1.604 177.333 176.000 -0.452 0.000 0.972 135 Q CA 1.022 56.764 55.803 -0.101 0.000 0.847 135 Q CB -0.242 28.601 28.738 0.175 0.000 0.903 135 Q HN 0.460 nan 8.270 nan 0.000 0.433 136 Y N 0.322 120.112 120.300 -0.850 0.000 2.089 136 Y HA -0.290 4.263 4.550 0.006 0.000 0.282 136 Y C 1.795 177.133 175.900 -0.936 0.000 1.139 136 Y CA 1.514 58.842 58.100 -1.287 0.000 1.123 136 Y CB -0.565 37.193 38.460 -1.171 0.000 0.980 136 Y HN 0.031 nan 8.280 nan 0.000 0.493 137 Y N -0.566 119.259 120.300 -0.791 0.000 2.274 137 Y HA -0.209 4.346 4.550 0.008 0.000 0.290 137 Y C 3.085 178.660 175.900 -0.541 0.000 1.145 137 Y CA 1.781 59.450 58.100 -0.719 0.000 1.203 137 Y CB -0.875 37.110 38.460 -0.791 0.000 0.984 137 Y HN 0.225 nan 8.280 nan 0.000 0.533 138 S N -0.670 114.827 115.700 -0.339 0.000 2.383 138 S HA -0.174 4.300 4.470 0.007 0.000 0.227 138 S C 2.323 176.768 174.600 -0.258 0.000 1.026 138 S CA 1.340 59.412 58.200 -0.213 0.000 0.981 138 S CB -0.598 62.520 63.200 -0.136 0.000 0.818 138 S HN 0.592 nan 8.310 nan 0.000 0.472 139 S N 1.685 117.135 115.700 -0.417 0.000 2.447 139 S HA -0.023 4.452 4.470 0.007 0.000 0.233 139 S C 1.638 176.034 174.600 -0.339 0.000 1.006 139 S CA 1.008 59.002 58.200 -0.344 0.000 0.957 139 S CB -0.872 62.046 63.200 -0.469 0.000 0.773 139 S HN 0.803 nan 8.310 nan 0.000 0.507 140 I N -3.363 116.924 120.570 -0.471 0.000 3.956 140 I HA 0.390 4.564 4.170 0.007 0.000 0.333 140 I C -0.420 175.575 176.117 -0.202 0.000 1.302 140 I CA -0.533 60.554 61.300 -0.355 0.000 1.122 140 I CB -0.049 37.652 38.000 -0.498 0.000 1.013 140 I HN -0.126 nan 8.210 nan 0.000 0.405 141 K N 2.585 122.882 120.400 -0.171 0.000 3.239 141 K HA -0.126 4.198 4.320 0.007 0.000 0.270 141 K C -0.299 176.270 176.600 -0.051 0.000 1.049 141 K CA 0.418 56.650 56.287 -0.092 0.000 0.769 141 K CB -1.646 30.812 32.500 -0.070 0.000 1.305 141 K HN 0.563 nan 8.250 nan 0.000 0.469 142 R N -0.958 119.528 120.500 -0.024 0.000 2.637 142 R HA 0.107 4.451 4.340 0.007 0.000 0.446 142 R C -0.035 176.303 176.300 0.063 0.000 1.024 142 R CA -0.411 55.709 56.100 0.033 0.000 1.080 142 R CB 0.816 31.184 30.300 0.114 0.000 1.421 142 R HN 0.137 nan 8.270 nan 0.000 0.593 143 S N -0.101 115.639 115.700 0.067 0.000 2.533 143 S HA 0.329 4.804 4.470 0.007 0.000 0.282 143 S C 1.320 176.007 174.600 0.144 0.000 1.304 143 S CA 1.542 59.864 58.200 0.202 0.000 1.063 143 S CB 0.495 63.756 63.200 0.102 0.000 0.881 143 S HN 0.742 nan 8.310 nan 0.000 0.493 144 G N 2.969 111.848 108.800 0.131 0.000 2.176 144 G HA2 -0.288 3.676 3.960 0.007 0.000 0.253 144 G HA3 -0.288 3.676 3.960 0.007 0.000 0.253 144 G C 0.292 175.124 174.900 -0.114 0.000 0.979 144 G CA 0.440 45.474 45.100 -0.110 0.000 0.641 144 G HN 1.367 nan 8.290 nan 0.000 0.530 145 S N 0.079 115.739 115.700 -0.067 0.000 2.617 145 S HA 0.458 4.932 4.470 0.007 0.000 0.259 145 S C 1.733 176.259 174.600 -0.123 0.000 1.301 145 S CA 0.674 58.826 58.200 -0.081 0.000 0.984 145 S CB 1.297 64.464 63.200 -0.056 0.000 0.954 145 S HN 0.846 nan 8.310 nan 0.000 0.572 146 Q N 0.962 120.708 119.800 -0.091 0.000 2.119 146 Q HA -0.077 4.268 4.340 0.007 0.000 0.201 146 Q C 2.094 178.034 176.000 -0.101 0.000 0.972 146 Q CA 2.016 57.768 55.803 -0.085 0.000 0.847 146 Q CB -1.445 27.264 28.738 -0.049 0.000 0.903 146 Q HN 0.868 nan 8.270 nan 0.000 0.433 147 A N 1.182 123.939 122.820 -0.106 0.000 1.930 147 A HA -0.211 4.114 4.320 0.007 0.000 0.217 147 A C 2.102 179.474 177.584 -0.354 0.000 1.175 147 A CA 1.498 53.474 52.037 -0.103 0.000 0.627 147 A CB -1.089 17.928 19.000 0.028 0.000 0.815 147 A HN 0.717 nan 8.150 nan 0.000 0.443 148 H N -0.701 117.877 119.070 -0.820 0.000 2.326 148 H HA -0.095 4.466 4.556 0.008 0.000 0.301 148 H C 1.793 176.837 175.328 -0.472 0.000 1.081 148 H CA 1.193 56.546 56.048 -1.158 0.000 1.334 148 H CB 0.170 29.415 29.762 -0.861 0.000 1.385 148 H HN 0.391 nan 8.280 nan 0.000 0.504 149 E N 0.602 120.652 120.200 -0.251 0.000 2.208 149 E HA -0.129 4.225 4.350 0.007 0.000 0.193 149 E C 1.976 178.513 176.600 -0.105 0.000 0.988 149 E CA 0.743 57.019 56.400 -0.207 0.000 0.828 149 E CB -0.004 29.581 29.700 -0.192 0.000 0.763 149 E HN 0.684 nan 8.360 nan 0.000 0.478 150 E N 0.424 120.575 120.200 -0.081 0.000 2.076 150 E HA -0.115 4.239 4.350 0.007 0.000 0.190 150 E C 2.121 178.725 176.600 0.008 0.000 0.979 150 E CA 0.542 56.924 56.400 -0.030 0.000 0.807 150 E CB 0.050 29.741 29.700 -0.015 0.000 0.761 150 E HN -0.094 nan 8.360 nan 0.000 0.454 151 R N 1.155 121.675 120.500 0.035 0.000 2.096 151 R HA -0.078 4.267 4.340 0.007 0.000 0.235 151 R C 1.979 178.324 176.300 0.074 0.000 1.127 151 R CA 1.196 57.363 56.100 0.112 0.000 0.968 151 R CB -0.555 29.912 30.300 0.279 0.000 0.861 151 R HN 0.163 nan 8.270 nan 0.000 0.440 152 L N 0.016 121.272 121.223 0.054 0.000 2.046 152 L HA -0.175 4.170 4.340 0.007 0.000 0.208 152 L C 2.571 179.430 176.870 -0.019 0.000 1.077 152 L CA 1.585 56.435 54.840 0.017 0.000 0.747 152 L CB -0.439 41.620 42.059 0.000 0.000 0.896 152 L HN 0.337 nan 8.230 nan 0.000 0.432 153 Q N -0.456 119.333 119.800 -0.018 0.000 2.119 153 Q HA -0.258 4.087 4.340 0.007 0.000 0.201 153 Q C 2.098 178.096 176.000 -0.003 0.000 0.972 153 Q CA 1.512 57.305 55.803 -0.017 0.000 0.847 153 Q CB -0.000 28.727 28.738 -0.018 0.000 0.903 153 Q HN 0.484 nan 8.270 nan 0.000 0.433 154 E N -0.086 120.121 120.200 0.012 0.000 2.152 154 E HA -0.132 4.222 4.350 0.007 0.000 0.192 154 E C 1.848 178.464 176.600 0.026 0.000 0.983 154 E CA 0.645 57.065 56.400 0.032 0.000 0.818 154 E CB 0.321 30.055 29.700 0.056 0.000 0.758 154 E HN 0.113 nan 8.360 nan 0.000 0.467 155 V N 2.278 122.176 119.914 -0.027 0.000 2.323 155 V HA -0.231 3.894 4.120 0.007 0.000 0.244 155 V C 2.247 178.277 176.094 -0.107 0.000 1.041 155 V CA 2.175 64.391 62.300 -0.139 0.000 1.025 155 V CB -0.529 31.093 31.823 -0.334 0.000 0.656 155 V HN 0.421 nan 8.190 nan 0.000 0.451 156 E N 1.182 121.338 120.200 -0.072 0.000 2.274 156 E HA -0.113 4.241 4.350 0.007 0.000 0.194 156 E C 2.092 178.691 176.600 -0.001 0.000 0.996 156 E CA 1.232 57.610 56.400 -0.037 0.000 0.840 156 E CB -0.297 29.384 29.700 -0.031 0.000 0.772 156 E HN 0.533 nan 8.360 nan 0.000 0.491 157 A N 2.222 125.048 122.820 0.009 0.000 1.872 157 A HA -0.184 4.140 4.320 0.007 0.000 0.214 157 A C 2.081 179.695 177.584 0.049 0.000 1.187 157 A CA 1.304 53.357 52.037 0.027 0.000 0.614 157 A CB -0.363 18.654 19.000 0.029 0.000 0.826 157 A HN 0.201 nan 8.150 nan 0.000 0.442 158 E N -0.238 120.004 120.200 0.071 0.000 2.038 158 E HA -0.154 4.201 4.350 0.007 0.000 0.195 158 E C 2.037 178.701 176.600 0.107 0.000 1.000 158 E CA 1.533 58.003 56.400 0.116 0.000 0.803 158 E CB -0.341 29.474 29.700 0.191 0.000 0.750 158 E HN 0.375 nan 8.360 nan 0.000 0.448 159 V N 1.510 121.482 119.914 0.096 0.000 2.407 159 V HA -0.290 3.834 4.120 0.007 0.000 0.248 159 V C 2.377 178.504 176.094 0.056 0.000 1.055 159 V CA 1.746 64.097 62.300 0.085 0.000 1.049 159 V CB -0.831 31.032 31.823 0.068 0.000 0.662 159 V HN 0.311 nan 8.190 nan 0.000 0.455 160 A N 0.857 123.702 122.820 0.042 0.000 1.892 160 A HA -0.255 4.069 4.320 0.007 0.000 0.218 160 A C 2.485 180.090 177.584 0.036 0.000 1.188 160 A CA 2.854 54.910 52.037 0.033 0.000 0.631 160 A CB -0.689 18.326 19.000 0.025 0.000 0.822 160 A HN 0.702 nan 8.150 nan 0.000 0.447 161 S N -1.937 113.789 115.700 0.044 0.000 2.483 161 S HA -0.030 4.444 4.470 0.007 0.000 0.221 161 S C 1.688 176.317 174.600 0.049 0.000 1.030 161 S CA 1.279 59.505 58.200 0.043 0.000 0.925 161 S CB -0.525 62.702 63.200 0.043 0.000 0.795 161 S HN 0.799 nan 8.310 nan 0.000 0.511 162 T N -3.070 111.521 114.554 0.062 0.000 2.990 162 T HA 0.523 4.877 4.350 0.007 0.000 0.250 162 T C 1.706 176.438 174.700 0.053 0.000 1.041 162 T CA 0.875 63.014 62.100 0.065 0.000 1.010 162 T CB 0.036 68.961 68.868 0.094 0.000 1.003 162 T HN 1.073 nan 8.240 nan 0.000 0.499 163 G N 0.415 109.247 108.800 0.053 0.000 2.225 163 G HA2 -0.227 3.737 3.960 0.007 0.000 0.254 163 G HA3 -0.227 3.737 3.960 0.007 0.000 0.254 163 G C 0.252 175.180 174.900 0.046 0.000 0.988 163 G CA 0.622 45.747 45.100 0.043 0.000 0.625 163 G HN 1.004 nan 8.290 nan 0.000 0.527 164 T N -1.192 113.392 114.554 0.050 0.000 2.696 164 T HA 0.746 5.100 4.350 0.007 0.000 0.291 164 T C -0.897 173.864 174.700 0.103 0.000 1.095 164 T CA 0.377 62.491 62.100 0.023 0.000 1.026 164 T CB 1.658 70.453 68.868 -0.123 0.000 1.390 164 T HN 1.467 nan 8.240 nan 0.000 0.513 165 Y N -0.912 119.293 120.300 -0.159 0.000 2.728 165 Y HA 0.789 5.343 4.550 0.007 0.000 0.330 165 Y C -1.146 174.557 175.900 -0.328 0.000 1.234 165 Y CA -1.154 56.884 58.100 -0.103 0.000 1.070 165 Y CB 1.009 39.476 38.460 0.011 0.000 1.300 165 Y HN 0.681 nan 8.280 nan 0.000 0.467 166 H N 1.050 120.158 119.070 0.064 0.000 2.768 166 H HA 0.550 5.110 4.556 0.007 0.000 0.371 166 H C -1.121 174.277 175.328 0.115 0.000 1.151 166 H CA -0.827 55.201 56.048 -0.034 0.000 1.165 166 H CB 2.614 32.395 29.762 0.030 0.000 1.722 166 H HN 0.596 nan 8.280 nan 0.000 0.543 167 L N 1.797 123.122 121.223 0.169 0.000 2.399 167 L HA 0.418 4.762 4.340 0.007 0.000 0.265 167 L C 0.888 177.838 176.870 0.133 0.000 1.089 167 L CA -0.670 54.288 54.840 0.197 0.000 0.802 167 L CB 0.883 43.035 42.059 0.155 0.000 1.180 167 L HN 0.361 nan 8.230 nan 0.000 0.454 168 R N 0.653 121.194 120.500 0.070 0.000 2.577 168 R HA 0.067 4.412 4.340 0.007 0.000 0.269 168 R C 1.054 177.342 176.300 -0.019 0.000 1.084 168 R CA -0.550 55.557 56.100 0.012 0.000 1.163 168 R CB 0.893 31.168 30.300 -0.042 0.000 1.100 168 R HN 0.645 nan 8.270 nan 0.000 0.547 169 E N 1.113 121.303 120.200 -0.017 0.000 2.049 169 E HA -0.251 4.103 4.350 0.007 0.000 0.198 169 E C 1.397 177.976 176.600 -0.035 0.000 1.007 169 E CA 2.391 58.776 56.400 -0.025 0.000 0.809 169 E CB 0.034 29.724 29.700 -0.017 0.000 0.749 169 E HN 0.681 nan 8.360 nan 0.000 0.450 170 S N 0.106 115.784 115.700 -0.038 0.000 2.447 170 S HA -0.126 4.349 4.470 0.007 0.000 0.233 170 S C 1.658 176.233 174.600 -0.043 0.000 1.006 170 S CA 1.102 59.302 58.200 -0.000 0.000 0.957 170 S CB -0.227 63.007 63.200 0.057 0.000 0.773 170 S HN 0.330 nan 8.310 nan 0.000 0.507 171 E N 0.773 120.829 120.200 -0.240 0.000 2.112 171 E HA 0.021 4.375 4.350 0.007 0.000 0.190 171 E C 1.958 178.660 176.600 0.171 0.000 0.979 171 E CA 0.798 57.052 56.400 -0.243 0.000 0.814 171 E CB -0.271 29.270 29.700 -0.265 0.000 0.762 171 E HN 0.423 nan 8.360 nan 0.000 0.460 172 L N 0.917 122.161 121.223 0.036 0.000 2.056 172 L HA -0.138 4.207 4.340 0.007 0.000 0.207 172 L C 2.215 179.057 176.870 -0.046 0.000 1.078 172 L CA 1.259 56.067 54.840 -0.053 0.000 0.749 172 L CB -0.220 41.758 42.059 -0.134 0.000 0.901 172 L HN -0.083 nan 8.230 nan 0.000 0.433 173 V N -0.327 119.590 119.914 0.005 0.000 2.332 173 V HA -0.316 3.808 4.120 0.007 0.000 0.248 173 V C 2.310 178.469 176.094 0.109 0.000 1.055 173 V CA 2.166 64.478 62.300 0.019 0.000 1.038 173 V CB -0.961 30.880 31.823 0.030 0.000 0.651 173 V HN 0.586 nan 8.190 nan 0.000 0.450 174 F N 2.106 122.122 119.950 0.108 0.000 2.075 174 F HA -0.005 4.525 4.527 0.006 0.000 0.297 174 F C 2.228 178.154 175.800 0.210 0.000 1.113 174 F CA 1.809 59.933 58.000 0.207 0.000 1.218 174 F CB -1.067 38.139 39.000 0.344 0.000 0.984 174 F HN 0.119 nan 8.300 nan 0.000 0.472 175 G N -0.090 108.671 108.800 -0.065 0.000 2.440 175 G HA2 -0.246 3.718 3.960 0.007 0.000 0.218 175 G HA3 -0.246 3.718 3.960 0.007 0.000 0.218 175 G C 1.808 176.499 174.900 -0.348 0.000 1.154 175 G CA 0.975 45.903 45.100 -0.286 0.000 0.767 175 G HN 0.679 nan 8.290 nan 0.000 0.552 176 A N 0.776 123.445 122.820 -0.251 0.000 1.902 176 A HA 0.000 4.324 4.320 0.007 0.000 0.217 176 A C 2.313 179.852 177.584 -0.075 0.000 1.181 176 A CA 1.905 53.809 52.037 -0.222 0.000 0.623 176 A CB -0.313 18.594 19.000 -0.154 0.000 0.818 176 A HN 0.387 nan 8.150 nan 0.000 0.443 177 K N -1.094 119.303 120.400 -0.005 0.000 2.148 177 K HA -0.146 4.178 4.320 0.007 0.000 0.204 177 K C 2.299 178.969 176.600 0.116 0.000 1.050 177 K CA 1.435 57.834 56.287 0.186 0.000 0.942 177 K CB -0.076 32.565 32.500 0.235 0.000 0.724 177 K HN 0.473 nan 8.250 nan 0.000 0.446 178 Q N 0.871 120.546 119.800 -0.209 0.000 2.083 178 Q HA -0.031 4.313 4.340 0.007 0.000 0.198 178 Q C 1.910 177.760 176.000 -0.251 0.000 0.969 178 Q CA 1.593 57.188 55.803 -0.347 0.000 0.838 178 Q CB -0.182 28.197 28.738 -0.598 0.000 0.900 178 Q HN 0.297 nan 8.270 nan 0.000 0.436 179 A N -0.271 122.377 122.820 -0.286 0.000 1.908 179 A HA -0.205 4.119 4.320 0.007 0.000 0.218 179 A C 1.848 179.383 177.584 -0.081 0.000 1.181 179 A CA 1.622 53.436 52.037 -0.371 0.000 0.627 179 A CB -1.263 17.218 19.000 -0.865 0.000 0.818 179 A HN 0.733 nan 8.150 nan 0.000 0.445 180 W N 0.828 122.067 121.300 -0.101 0.000 2.379 180 W HA -0.095 4.568 4.660 0.005 0.000 0.307 180 W C 2.308 178.813 176.519 -0.023 0.000 1.200 180 W CA 1.485 58.868 57.345 0.064 0.000 1.297 180 W CB -0.729 28.783 29.460 0.086 0.000 1.140 180 W HN 0.358 nan 8.180 nan 0.000 0.507 181 R N 0.411 120.880 120.500 -0.051 0.000 2.127 181 R HA -0.190 4.155 4.340 0.007 0.000 0.238 181 R C 1.492 177.661 176.300 -0.219 0.000 1.134 181 R CA 1.767 57.649 56.100 -0.363 0.000 0.975 181 R CB -0.505 29.320 30.300 -0.791 0.000 0.865 181 R HN 0.098 nan 8.270 nan 0.000 0.447 182 N N 0.240 118.854 118.700 -0.143 0.000 2.463 182 N HA 0.022 4.767 4.740 0.007 0.000 0.181 182 N C -0.330 175.136 175.510 -0.073 0.000 1.078 182 N CA 0.626 53.603 53.050 -0.120 0.000 0.902 182 N CB 0.378 38.788 38.487 -0.127 0.000 0.970 182 N HN 0.159 nan 8.380 nan 0.000 0.451 183 A N 1.900 124.729 122.820 0.016 0.000 2.489 183 A HA 0.228 4.553 4.320 0.007 0.000 0.289 183 A C -1.276 176.289 177.584 -0.031 0.000 1.216 183 A CA -0.921 51.123 52.037 0.011 0.000 0.883 183 A CB 0.257 19.317 19.000 0.101 0.000 1.110 183 A HN 0.022 nan 8.150 nan 0.000 0.523 184 P HA -0.131 nan 4.420 nan 0.000 0.219 184 P C 1.094 178.317 177.300 -0.128 0.000 1.146 184 P CA 1.175 64.203 63.100 -0.121 0.000 0.808 184 P CB 0.160 31.751 31.700 -0.181 0.000 0.779 185 R N -2.250 118.125 120.500 -0.208 0.000 2.317 185 R HA 0.153 4.497 4.340 0.007 0.000 0.208 185 R C 0.272 176.523 176.300 -0.081 0.000 0.914 185 R CA -0.121 55.841 56.100 -0.230 0.000 1.060 185 R CB -0.415 29.520 30.300 -0.608 0.000 1.015 185 R HN 0.177 nan 8.270 nan 0.000 0.498 186 C N 0.857 120.128 119.300 -0.049 0.000 2.303 186 C HA 0.216 4.680 4.460 0.007 0.000 0.341 186 C C 1.835 176.787 174.990 -0.064 0.000 1.244 186 C CA -0.615 58.409 59.018 0.010 0.000 1.765 186 C CB 0.550 28.380 27.740 0.150 0.000 2.379 186 C HN 0.284 nan 8.230 nan 0.000 0.530 187 V N 6.110 125.933 119.914 -0.151 0.000 3.541 187 V HA 0.236 4.360 4.120 0.007 0.000 0.267 187 V C 1.698 177.798 176.094 0.010 0.000 1.213 187 V CA 1.903 64.000 62.300 -0.339 0.000 1.149 187 V CB -0.096 31.531 31.823 -0.328 0.000 0.822 187 V HN 1.066 nan 8.190 nan 0.000 0.462 188 G N -0.547 108.301 108.800 0.079 0.000 3.371 188 G HA2 0.056 4.021 3.960 0.007 0.000 0.248 188 G HA3 0.056 4.021 3.960 0.007 0.000 0.248 188 G C 1.209 176.188 174.900 0.132 0.000 1.161 188 G CA -0.340 44.828 45.100 0.113 0.000 0.796 188 G HN 0.435 nan 8.290 nan 0.000 0.539 189 R N -0.138 120.370 120.500 0.015 0.000 2.341 189 R HA 0.107 4.451 4.340 0.007 0.000 0.213 189 R C 1.937 177.839 176.300 -0.663 0.000 1.082 189 R CA 0.201 56.044 56.100 -0.428 0.000 1.017 189 R CB -0.150 29.885 30.300 -0.441 0.000 0.860 189 R HN 0.446 nan 8.270 nan 0.000 0.473 190 I N 0.758 121.104 120.570 -0.374 0.000 2.916 190 I HA -0.209 3.965 4.170 0.007 0.000 0.267 190 I C 1.113 177.157 176.117 -0.122 0.000 1.263 190 I CA 1.144 62.370 61.300 -0.125 0.000 1.471 190 I CB 0.182 38.212 38.000 0.050 0.000 1.089 190 I HN 0.207 nan 8.210 nan 0.000 0.468 191 Q N 0.349 120.018 119.800 -0.218 0.000 2.319 191 Q HA -0.067 4.277 4.340 0.007 0.000 0.202 191 Q C 1.582 177.171 176.000 -0.685 0.000 0.896 191 Q CA 0.140 55.802 55.803 -0.236 0.000 0.942 191 Q CB -0.129 28.635 28.738 0.044 0.000 1.083 191 Q HN 0.769 nan 8.270 nan 0.000 0.510 192 W N 0.474 121.105 121.300 -1.115 0.000 2.296 192 W HA -0.183 4.483 4.660 0.011 0.000 0.296 192 W C 1.092 177.256 176.519 -0.592 0.000 1.220 192 W CA 1.367 57.854 57.345 -1.430 0.000 1.223 192 W CB -1.243 27.575 29.460 -1.071 0.000 1.139 192 W HN 0.071 nan 8.180 nan 0.000 0.534 193 G N 1.076 108.958 108.800 -1.530 0.000 2.464 193 G HA2 -0.177 3.787 3.960 0.007 0.000 0.217 193 G HA3 -0.177 3.787 3.960 0.007 0.000 0.217 193 G C 0.888 175.490 174.900 -0.496 0.000 1.138 193 G CA 0.027 44.390 45.100 -1.230 0.000 0.793 193 G HN 0.200 nan 8.290 nan 0.000 0.539 194 K N 0.376 120.593 120.400 -0.305 0.000 2.244 194 K HA 0.469 4.793 4.320 0.007 0.000 0.263 194 K C -1.619 175.059 176.600 0.131 0.000 1.103 194 K CA -0.496 55.757 56.287 -0.058 0.000 0.966 194 K CB 0.241 32.748 32.500 0.011 0.000 1.429 194 K HN 0.113 nan 8.250 nan 0.000 0.434 195 L N 3.004 124.287 121.223 0.099 0.000 2.470 195 L HA 0.267 4.611 4.340 0.007 0.000 0.268 195 L C -1.297 175.554 176.870 -0.033 0.000 0.964 195 L CA -0.476 54.451 54.840 0.145 0.000 0.839 195 L CB 1.997 44.221 42.059 0.274 0.000 1.276 195 L HN 0.359 nan 8.230 nan 0.000 0.403 196 Q N 3.485 123.206 119.800 -0.132 0.000 2.377 196 Q HA 0.464 4.808 4.340 0.007 0.000 0.249 196 Q C -1.546 174.075 176.000 -0.631 0.000 1.005 196 Q CA -0.192 55.340 55.803 -0.451 0.000 0.912 196 Q CB 1.023 29.361 28.738 -0.667 0.000 1.223 196 Q HN 0.507 nan 8.270 nan 0.000 0.459 197 V N 6.319 125.929 119.914 -0.507 0.000 2.368 197 V HA 0.301 4.425 4.120 0.007 0.000 0.266 197 V C -0.495 175.303 176.094 -0.492 0.000 1.045 197 V CA -0.396 61.663 62.300 -0.401 0.000 0.899 197 V CB -0.236 31.451 31.823 -0.225 0.000 1.006 197 V HN 0.610 nan 8.190 nan 0.000 0.470 198 F N 2.975 122.772 119.950 -0.255 0.000 2.375 198 F HA 0.315 4.844 4.527 0.003 0.000 0.362 198 F C 0.727 176.331 175.800 -0.326 0.000 1.129 198 F CA -0.827 57.009 58.000 -0.272 0.000 1.154 198 F CB 0.609 39.438 39.000 -0.283 0.000 1.205 198 F HN 0.417 nan 8.300 nan 0.000 0.513 199 D N 3.136 123.474 120.400 -0.103 0.000 2.343 199 D HA 0.344 4.988 4.640 0.007 0.000 0.255 199 D C 0.079 176.197 176.300 -0.304 0.000 1.187 199 D CA 0.281 54.164 54.000 -0.194 0.000 0.875 199 D CB 1.320 42.053 40.800 -0.113 0.000 1.136 199 D HN 0.656 nan 8.370 nan 0.000 0.469 200 A N 4.672 127.171 122.820 -0.536 0.000 2.616 200 A HA 0.147 4.472 4.320 0.007 0.000 0.294 200 A C 1.467 178.793 177.584 -0.429 0.000 1.091 200 A CA -0.401 51.114 52.037 -0.871 0.000 0.971 200 A CB 0.171 18.082 19.000 -1.814 0.000 1.222 200 A HN 0.563 nan 8.150 nan 0.000 0.521 201 R N 0.611 120.981 120.500 -0.217 0.000 2.328 201 R HA -0.092 4.252 4.340 0.007 0.000 0.207 201 R C 0.934 177.222 176.300 -0.021 0.000 1.056 201 R CA 1.289 57.343 56.100 -0.077 0.000 1.016 201 R CB 0.045 30.353 30.300 0.014 0.000 0.872 201 R HN 0.704 nan 8.270 nan 0.000 0.471 202 D N -0.419 119.987 120.400 0.009 0.000 2.271 202 D HA -0.087 4.558 4.640 0.007 0.000 0.206 202 D C 0.632 177.013 176.300 0.134 0.000 0.967 202 D CA -0.134 53.914 54.000 0.080 0.000 0.867 202 D CB -0.695 40.169 40.800 0.106 0.000 0.960 202 D HN -0.022 nan 8.370 nan 0.000 0.509 203 C N 1.791 121.195 119.300 0.172 0.000 2.378 203 C HA 0.173 4.638 4.460 0.007 0.000 0.395 203 C C 1.693 176.830 174.990 0.245 0.000 1.476 203 C CA 0.962 60.142 59.018 0.271 0.000 1.541 203 C CB -0.796 27.151 27.740 0.345 0.000 2.524 203 C HN 0.518 nan 8.230 nan 0.000 0.595 204 S N 2.141 118.027 115.700 0.311 0.000 2.787 204 S HA 0.261 4.735 4.470 0.007 0.000 0.255 204 S C 0.017 174.800 174.600 0.306 0.000 1.051 204 S CA 0.247 58.660 58.200 0.356 0.000 1.124 204 S CB -0.072 63.260 63.200 0.220 0.000 1.104 204 S HN 1.168 nan 8.310 nan 0.000 0.623 205 S N 0.064 115.933 115.700 0.282 0.000 2.627 205 S HA 0.845 5.319 4.470 0.007 0.000 0.283 205 S C 0.857 175.559 174.600 0.170 0.000 1.127 205 S CA -0.268 58.041 58.200 0.183 0.000 0.863 205 S CB 1.293 64.574 63.200 0.135 0.000 1.121 205 S HN 0.374 nan 8.310 nan 0.000 0.479 206 A N 0.680 123.569 122.820 0.114 0.000 1.969 206 A HA -0.047 4.277 4.320 0.007 0.000 0.218 206 A C 2.105 179.641 177.584 -0.081 0.000 1.169 206 A CA 1.988 54.070 52.037 0.074 0.000 0.635 206 A CB -1.119 17.992 19.000 0.184 0.000 0.810 206 A HN 0.888 nan 8.150 nan 0.000 0.445 207 Q N 0.186 120.027 119.800 0.067 0.000 2.119 207 Q HA -0.164 4.181 4.340 0.007 0.000 0.201 207 Q C 1.876 177.854 176.000 -0.035 0.000 0.972 207 Q CA 2.195 57.999 55.803 0.002 0.000 0.847 207 Q CB -0.335 28.516 28.738 0.188 0.000 0.903 207 Q HN 0.740 nan 8.270 nan 0.000 0.433 208 E N -0.782 119.447 120.200 0.048 0.000 2.106 208 E HA -0.151 4.204 4.350 0.007 0.000 0.192 208 E C 1.879 178.577 176.600 0.164 0.000 0.984 208 E CA 1.039 57.486 56.400 0.079 0.000 0.806 208 E CB -0.066 29.725 29.700 0.153 0.000 0.750 208 E HN 0.459 nan 8.360 nan 0.000 0.458 209 M N -0.171 119.508 119.600 0.132 0.000 2.149 209 M HA -0.172 4.312 4.480 0.007 0.000 0.261 209 M C 2.081 178.442 176.300 0.101 0.000 1.064 209 M CA 1.225 56.589 55.300 0.106 0.000 1.102 209 M CB -0.296 32.163 32.600 -0.235 0.000 1.369 209 M HN 0.182 nan 8.290 nan 0.000 0.408 210 F N 1.214 120.969 119.950 -0.325 0.000 2.134 210 F HA -0.179 4.354 4.527 0.010 0.000 0.299 210 F C 2.324 178.035 175.800 -0.148 0.000 1.097 210 F CA 1.841 59.615 58.000 -0.376 0.000 1.264 210 F CB -0.774 37.745 39.000 -0.801 0.000 1.001 210 F HN 0.066 nan 8.300 nan 0.000 0.479 211 T N -0.592 113.840 114.554 -0.204 0.000 2.708 211 T HA -0.223 4.131 4.350 0.007 0.000 0.266 211 T C 1.743 176.308 174.700 -0.226 0.000 1.037 211 T CA 1.721 63.649 62.100 -0.287 0.000 1.146 211 T CB -0.835 67.892 68.868 -0.234 0.000 0.865 211 T HN 0.221 nan 8.240 nan 0.000 0.435 212 Y N 1.358 121.607 120.300 -0.084 0.000 2.097 212 Y HA -0.067 4.486 4.550 0.005 0.000 0.282 212 Y C 2.302 178.147 175.900 -0.092 0.000 1.152 212 Y CA 0.421 58.478 58.100 -0.072 0.000 1.136 212 Y CB -0.742 37.765 38.460 0.079 0.000 0.975 212 Y HN 0.186 nan 8.280 nan 0.000 0.498 213 I N -1.729 118.935 120.570 0.158 0.000 2.286 213 I HA -0.363 3.811 4.170 0.007 0.000 0.248 213 I C 2.360 178.424 176.117 -0.088 0.000 1.115 213 I CA 1.079 62.410 61.300 0.050 0.000 1.392 213 I CB -0.573 37.457 38.000 0.051 0.000 1.065 213 I HN 0.257 nan 8.210 nan 0.000 0.418 214 C N 0.604 119.744 119.300 -0.266 0.000 2.435 214 C HA -0.095 4.369 4.460 0.007 0.000 0.279 214 C C 2.625 177.509 174.990 -0.176 0.000 1.321 214 C CA 0.710 59.539 59.018 -0.315 0.000 1.752 214 C CB -1.327 26.081 27.740 -0.553 0.000 1.959 214 C HN 0.538 nan 8.230 nan 0.000 0.500 215 N N -0.150 118.444 118.700 -0.175 0.000 2.216 215 N HA -0.111 4.633 4.740 0.007 0.000 0.183 215 N C 1.459 176.862 175.510 -0.178 0.000 1.017 215 N CA 1.191 54.130 53.050 -0.185 0.000 0.861 215 N CB -0.672 37.658 38.487 -0.262 0.000 0.986 215 N HN 0.734 nan 8.380 nan 0.000 0.428 216 H N 0.853 119.755 119.070 -0.280 0.000 2.290 216 H HA 0.048 4.609 4.556 0.009 0.000 0.298 216 H C 2.125 177.452 175.328 -0.001 0.000 1.087 216 H CA 1.600 57.529 56.048 -0.198 0.000 1.291 216 H CB -0.019 29.681 29.762 -0.103 0.000 1.369 216 H HN 0.076 nan 8.280 nan 0.000 0.492 217 I N 0.527 121.219 120.570 0.204 0.000 2.286 217 I HA -0.253 3.922 4.170 0.007 0.000 0.248 217 I C 2.360 178.539 176.117 0.104 0.000 1.115 217 I CA 1.291 62.673 61.300 0.135 0.000 1.392 217 I CB -0.248 37.761 38.000 0.015 0.000 1.065 217 I HN 0.322 nan 8.210 nan 0.000 0.418 218 K N -0.000 120.435 120.400 0.058 0.000 2.025 218 K HA -0.207 4.117 4.320 0.007 0.000 0.207 218 K C 2.231 178.878 176.600 0.078 0.000 1.049 218 K CA 1.573 57.884 56.287 0.040 0.000 0.933 218 K CB -0.316 32.184 32.500 0.001 0.000 0.714 218 K HN 0.217 nan 8.250 nan 0.000 0.438 219 Y N 1.347 121.653 120.300 0.010 0.000 2.133 219 Y HA -0.224 4.327 4.550 0.001 0.000 0.287 219 Y C 2.198 178.160 175.900 0.102 0.000 1.134 219 Y CA 1.571 59.712 58.100 0.070 0.000 1.133 219 Y CB -0.421 38.130 38.460 0.151 0.000 0.987 219 Y HN 0.043 nan 8.280 nan 0.000 0.502 220 A N -0.533 122.473 122.820 0.310 0.000 1.908 220 A HA -0.207 4.117 4.320 0.007 0.000 0.218 220 A C 2.199 179.854 177.584 0.119 0.000 1.181 220 A CA 2.443 54.630 52.037 0.250 0.000 0.627 220 A CB -1.389 17.829 19.000 0.363 0.000 0.818 220 A HN 0.546 nan 8.150 nan 0.000 0.445 221 T N -0.212 114.401 114.554 0.099 0.000 2.777 221 T HA -0.121 4.234 4.350 0.007 0.000 0.266 221 T C 1.183 175.884 174.700 0.002 0.000 1.040 221 T CA 1.211 63.349 62.100 0.063 0.000 1.141 221 T CB -0.440 68.461 68.868 0.055 0.000 0.868 221 T HN 0.623 nan 8.240 nan 0.000 0.444 222 N N 1.229 119.901 118.700 -0.047 0.000 2.693 222 N HA -0.261 4.483 4.740 0.007 0.000 0.250 222 N C -0.447 175.027 175.510 -0.060 0.000 1.033 222 N CA 0.558 53.552 53.050 -0.093 0.000 0.747 222 N CB -1.280 37.106 38.487 -0.168 0.000 0.964 222 N HN 0.526 nan 8.380 nan 0.000 0.540 223 R N -2.580 117.900 120.500 -0.035 0.000 3.336 223 R HA -0.197 4.147 4.340 0.007 0.000 0.260 223 R C 1.290 177.567 176.300 -0.038 0.000 1.032 223 R CA 1.022 57.102 56.100 -0.032 0.000 0.693 223 R CB -1.928 28.350 30.300 -0.037 0.000 1.134 223 R HN 0.845 nan 8.270 nan 0.000 0.433 224 G N -0.270 108.514 108.800 -0.026 0.000 2.308 224 G HA2 -0.358 3.606 3.960 0.007 0.000 0.221 224 G HA3 -0.358 3.606 3.960 0.007 0.000 0.221 224 G C 0.106 174.979 174.900 -0.045 0.000 1.032 224 G CA 0.140 45.221 45.100 -0.031 0.000 0.623 224 G HN 0.417 nan 8.290 nan 0.000 0.506 225 N N 1.606 120.266 118.700 -0.066 0.000 3.245 225 N HA 0.441 5.186 4.740 0.007 0.000 0.296 225 N C 0.496 175.952 175.510 -0.090 0.000 1.254 225 N CA -0.374 52.614 53.050 -0.103 0.000 1.190 225 N CB -0.533 37.894 38.487 -0.100 0.000 1.460 225 N HN 0.316 nan 8.380 nan 0.000 0.538 226 L N 1.360 122.554 121.223 -0.049 0.000 2.554 226 L HA 0.024 4.368 4.340 0.007 0.000 0.293 226 L C 0.848 177.794 176.870 0.127 0.000 1.252 226 L CA 1.075 55.956 54.840 0.069 0.000 0.862 226 L CB 0.183 42.368 42.059 0.211 0.000 1.113 226 L HN 0.296 nan 8.230 nan 0.000 0.510 227 R N 1.114 121.730 120.500 0.194 0.000 2.575 227 R HA 0.422 4.766 4.340 0.007 0.000 0.293 227 R C -0.767 175.729 176.300 0.325 0.000 0.983 227 R CA -0.687 55.565 56.100 0.254 0.000 0.887 227 R CB 1.699 32.032 30.300 0.055 0.000 1.184 227 R HN 0.583 nan 8.270 nan 0.000 0.445 228 S N 1.527 117.429 115.700 0.337 0.000 2.549 228 S HA 0.435 4.909 4.470 0.007 0.000 0.286 228 S C -0.163 174.527 174.600 0.150 0.000 1.314 228 S CA -0.163 58.141 58.200 0.174 0.000 1.062 228 S CB 1.111 64.375 63.200 0.107 0.000 0.865 228 S HN 0.705 nan 8.310 nan 0.000 0.498 229 A N 2.605 125.484 122.820 0.099 0.000 2.610 229 A HA 0.843 5.168 4.320 0.007 0.000 0.291 229 A C -1.240 176.408 177.584 0.108 0.000 1.086 229 A CA -0.705 51.325 52.037 -0.011 0.000 0.677 229 A CB 1.208 20.159 19.000 -0.082 0.000 1.278 229 A HN 0.815 nan 8.150 nan 0.000 0.414 230 I N -0.007 120.605 120.570 0.071 0.000 2.827 230 I HA 0.688 4.862 4.170 0.007 0.000 0.298 230 I C -1.410 174.820 176.117 0.189 0.000 1.235 230 I CA -0.219 61.239 61.300 0.264 0.000 1.021 230 I CB 2.492 40.600 38.000 0.179 0.000 1.259 230 I HN 0.598 nan 8.210 nan 0.000 0.427 231 T N 5.918 120.593 114.554 0.202 0.000 2.864 231 T HA 0.407 4.761 4.350 0.007 0.000 0.299 231 T C -0.791 173.701 174.700 -0.348 0.000 1.011 231 T CA -0.341 61.717 62.100 -0.071 0.000 0.975 231 T CB 1.417 70.239 68.868 -0.077 0.000 0.962 231 T HN 0.268 nan 8.240 nan 0.000 0.448 232 V N 5.029 124.682 119.914 -0.433 0.000 2.364 232 V HA 0.464 4.589 4.120 0.007 0.000 0.272 232 V C -0.271 175.509 176.094 -0.523 0.000 1.036 232 V CA -0.658 61.386 62.300 -0.426 0.000 0.880 232 V CB -0.206 31.313 31.823 -0.506 0.000 0.991 232 V HN 0.695 nan 8.190 nan 0.000 0.460 233 F N 5.213 125.084 119.950 -0.132 0.000 2.375 233 F HA 0.511 5.043 4.527 0.009 0.000 0.317 233 F C -1.798 173.915 175.800 -0.146 0.000 1.124 233 F CA -2.508 55.337 58.000 -0.259 0.000 1.050 233 F CB 0.259 39.072 39.000 -0.312 0.000 1.314 233 F HN 0.295 nan 8.300 nan 0.000 0.511 234 P HA -0.036 nan 4.420 nan 0.000 0.264 234 P C -1.002 176.334 177.300 0.060 0.000 1.179 234 P CA 0.016 63.074 63.100 -0.069 0.000 0.763 234 P CB 0.201 31.781 31.700 -0.200 0.000 0.806 235 Q N 3.131 122.885 119.800 -0.076 0.000 2.471 235 Q HA 0.198 4.543 4.340 0.007 0.000 0.223 235 Q C -0.128 175.768 176.000 -0.173 0.000 1.045 235 Q CA -0.563 54.981 55.803 -0.431 0.000 0.956 235 Q CB 0.631 28.827 28.738 -0.903 0.000 1.249 235 Q HN 0.300 nan 8.270 nan 0.000 0.549 236 R N 0.123 120.498 120.500 -0.208 0.000 2.484 236 R HA 0.231 4.575 4.340 0.007 0.000 0.293 236 R C -0.932 175.309 176.300 -0.099 0.000 1.023 236 R CA 0.425 56.469 56.100 -0.093 0.000 1.037 236 R CB 0.381 30.618 30.300 -0.105 0.000 0.951 236 R HN 0.659 nan 8.270 nan 0.000 0.418 237 A N 6.885 129.688 122.820 -0.029 0.000 2.319 237 A HA 0.434 4.759 4.320 0.007 0.000 0.310 237 A C -2.258 175.321 177.584 -0.009 0.000 1.152 237 A CA -1.857 50.167 52.037 -0.023 0.000 0.783 237 A CB 1.025 20.040 19.000 0.024 0.000 1.184 237 A HN 0.476 nan 8.150 nan 0.000 0.474 238 P HA 0.130 nan 4.420 nan 0.000 0.264 238 P C 0.839 178.142 177.300 0.006 0.000 1.183 238 P CA 1.730 64.826 63.100 -0.006 0.000 0.763 238 P CB 0.608 32.304 31.700 -0.007 0.000 0.807 239 G N 1.442 110.245 108.800 0.006 0.000 2.198 239 G HA2 -0.218 3.746 3.960 0.007 0.000 0.257 239 G HA3 -0.218 3.746 3.960 0.007 0.000 0.257 239 G C 0.066 174.974 174.900 0.013 0.000 1.042 239 G CA -0.045 45.061 45.100 0.011 0.000 0.791 239 G HN 0.870 nan 8.290 nan 0.000 0.502 240 R N -0.565 119.942 120.500 0.011 0.000 2.604 240 R HA 0.520 4.865 4.340 0.007 0.000 0.261 240 R C 0.486 176.787 176.300 0.002 0.000 1.080 240 R CA 0.050 56.156 56.100 0.010 0.000 0.917 240 R CB 0.674 30.990 30.300 0.027 0.000 1.252 240 R HN 0.797 nan 8.270 nan 0.000 0.456 241 G N 1.747 110.537 108.800 -0.018 0.000 2.594 241 G HA2 0.163 4.128 3.960 0.007 0.000 0.243 241 G HA3 0.163 4.128 3.960 0.007 0.000 0.243 241 G C -0.412 174.465 174.900 -0.039 0.000 1.229 241 G CA -0.245 44.837 45.100 -0.030 0.000 0.843 241 G HN 0.546 nan 8.290 nan 0.000 0.578 242 D N -0.622 119.771 120.400 -0.010 0.000 2.354 242 D HA 0.315 4.960 4.640 0.007 0.000 0.247 242 D C -0.464 175.838 176.300 0.003 0.000 1.138 242 D CA 0.171 54.197 54.000 0.044 0.000 0.958 242 D CB 0.828 41.665 40.800 0.062 0.000 1.144 242 D HN 0.130 nan 8.370 nan 0.000 0.458 243 F N 1.175 121.153 119.950 0.046 0.000 2.385 243 F HA 0.345 4.877 4.527 0.009 0.000 0.360 243 F C 0.705 176.529 175.800 0.040 0.000 1.122 243 F CA -0.385 57.629 58.000 0.023 0.000 1.090 243 F CB 0.717 39.729 39.000 0.020 0.000 1.150 243 F HN -0.215 nan 8.300 nan 0.000 0.472 244 R N 4.275 124.894 120.500 0.198 0.000 2.686 244 R HA 0.555 4.900 4.340 0.007 0.000 0.283 244 R C -1.067 175.388 176.300 0.258 0.000 0.978 244 R CA -0.873 55.355 56.100 0.213 0.000 0.897 244 R CB 2.356 32.784 30.300 0.212 0.000 1.192 244 R HN 0.625 nan 8.270 nan 0.000 0.457 245 I N 2.309 123.014 120.570 0.224 0.000 2.328 245 I HA 0.143 4.317 4.170 0.007 0.000 0.287 245 I C 0.468 176.786 176.117 0.334 0.000 1.012 245 I CA -0.490 60.947 61.300 0.227 0.000 1.195 245 I CB 1.185 39.259 38.000 0.123 0.000 1.350 245 I HN 0.521 nan 8.210 nan 0.000 0.464 246 W N 3.577 124.926 121.300 0.082 0.000 2.374 246 W HA -0.124 4.540 4.660 0.007 0.000 0.288 246 W C 1.011 177.654 176.519 0.207 0.000 1.218 246 W CA 0.212 57.679 57.345 0.204 0.000 1.245 246 W CB -0.907 28.661 29.460 0.181 0.000 1.126 246 W HN 0.422 nan 8.180 nan 0.000 0.545 247 N N -0.099 118.774 118.700 0.288 0.000 2.453 247 N HA 0.024 4.768 4.740 0.007 0.000 0.253 247 N C 1.374 176.951 175.510 0.112 0.000 1.252 247 N CA 0.859 53.999 53.050 0.151 0.000 0.917 247 N CB 0.633 39.147 38.487 0.044 0.000 1.117 247 N HN -0.091 nan 8.380 nan 0.000 0.442 248 S N 0.366 116.118 115.700 0.087 0.000 2.414 248 S HA -0.002 4.473 4.470 0.007 0.000 0.227 248 S C 0.323 174.920 174.600 -0.005 0.000 1.022 248 S CA 0.615 58.852 58.200 0.061 0.000 0.958 248 S CB 0.082 63.336 63.200 0.091 0.000 0.797 248 S HN 0.643 nan 8.310 nan 0.000 0.493 249 Q N -0.734 119.048 119.800 -0.030 0.000 2.456 249 Q HA 0.504 4.849 4.340 0.007 0.000 0.283 249 Q C 0.292 176.211 176.000 -0.136 0.000 1.084 249 Q CA -0.595 55.149 55.803 -0.098 0.000 0.801 249 Q CB 1.927 30.634 28.738 -0.052 0.000 1.434 249 Q HN 0.125 nan 8.270 nan 0.000 0.419 250 L N 0.007 121.120 121.223 -0.182 0.000 2.056 250 L HA 0.005 4.349 4.340 0.007 0.000 0.207 250 L C 0.503 177.226 176.870 -0.245 0.000 1.078 250 L CA 0.950 55.683 54.840 -0.179 0.000 0.749 250 L CB 0.076 42.020 42.059 -0.192 0.000 0.901 250 L HN 0.272 nan 8.230 nan 0.000 0.433 251 V N 1.278 120.952 119.914 -0.400 0.000 2.357 251 V HA 0.438 4.562 4.120 0.007 0.000 0.284 251 V C -0.211 175.330 176.094 -0.922 0.000 1.018 251 V CA -0.616 61.268 62.300 -0.694 0.000 0.841 251 V CB 1.429 32.684 31.823 -0.947 0.000 0.991 251 V HN 0.202 nan 8.190 nan 0.000 0.437 252 R N 2.970 123.096 120.500 -0.624 0.000 2.651 252 R HA 0.493 4.837 4.340 0.007 0.000 0.278 252 R C -1.726 174.411 176.300 -0.272 0.000 1.010 252 R CA -0.807 55.061 56.100 -0.386 0.000 0.896 252 R CB 2.482 32.694 30.300 -0.148 0.000 1.211 252 R HN 0.539 nan 8.270 nan 0.000 0.456 253 Y N 0.455 120.750 120.300 -0.008 0.000 2.299 253 Y HA 0.404 4.958 4.550 0.008 0.000 0.326 253 Y C 0.999 176.870 175.900 -0.048 0.000 1.164 253 Y CA -0.615 57.491 58.100 0.010 0.000 1.234 253 Y CB 1.015 39.549 38.460 0.123 0.000 1.219 253 Y HN 0.664 nan 8.280 nan 0.000 0.497 254 A N 1.564 124.419 122.820 0.059 0.000 2.386 254 A HA 0.581 4.905 4.320 0.007 0.000 0.248 254 A C 0.561 177.917 177.584 -0.380 0.000 1.082 254 A CA 0.220 52.129 52.037 -0.213 0.000 0.789 254 A CB -0.186 18.637 19.000 -0.296 0.000 1.025 254 A HN 0.947 nan 8.150 nan 0.000 0.490 255 G N 0.610 109.163 108.800 -0.413 0.000 2.814 255 G HA2 0.526 4.490 3.960 0.007 0.000 0.300 255 G HA3 0.526 4.490 3.960 0.007 0.000 0.300 255 G C -1.169 173.563 174.900 -0.279 0.000 1.406 255 G CA -0.255 44.656 45.100 -0.315 0.000 1.041 255 G HN 0.478 nan 8.290 nan 0.000 0.532 256 Y N 1.204 121.519 120.300 0.026 0.000 2.383 256 Y HA 0.355 4.909 4.550 0.007 0.000 0.344 256 Y C 1.066 176.966 175.900 0.000 0.000 0.986 256 Y CA -1.189 56.925 58.100 0.023 0.000 1.175 256 Y CB 1.091 39.559 38.460 0.013 0.000 1.152 256 Y HN 0.542 nan 8.280 nan 0.000 0.511 257 R N 4.140 124.729 120.500 0.149 0.000 2.291 257 R HA 0.093 4.437 4.340 0.007 0.000 0.333 257 R C -0.103 176.238 176.300 0.068 0.000 1.082 257 R CA -0.400 55.748 56.100 0.080 0.000 0.948 257 R CB 0.214 30.549 30.300 0.058 0.000 1.009 257 R HN 0.626 nan 8.270 nan 0.000 0.460 258 Q N 2.506 122.336 119.800 0.050 0.000 2.697 258 Q HA -0.081 4.263 4.340 0.007 0.000 0.196 258 Q C 0.589 176.598 176.000 0.014 0.000 1.121 258 Q CA 0.044 55.864 55.803 0.028 0.000 1.151 258 Q CB 0.405 29.154 28.738 0.019 0.000 1.250 258 Q HN 0.652 nan 8.270 nan 0.000 0.658 259 Q N 0.540 120.342 119.800 0.003 0.000 2.096 259 Q HA -0.110 4.234 4.340 0.007 0.000 0.197 259 Q C 0.858 176.858 176.000 0.001 0.000 0.964 259 Q CA 1.479 57.282 55.803 -0.001 0.000 0.838 259 Q CB 0.241 28.974 28.738 -0.008 0.000 0.906 259 Q HN 0.652 nan 8.270 nan 0.000 0.444 260 D N -2.090 118.311 120.400 0.001 0.000 2.323 260 D HA 0.035 4.680 4.640 0.007 0.000 0.239 260 D C 0.891 177.193 176.300 0.004 0.000 1.129 260 D CA 0.789 54.789 54.000 0.001 0.000 0.865 260 D CB 0.341 41.141 40.800 -0.001 0.000 0.913 260 D HN 0.415 nan 8.370 nan 0.000 0.517 261 G N 1.187 109.992 108.800 0.008 0.000 2.363 261 G HA2 -0.385 3.579 3.960 0.007 0.000 0.238 261 G HA3 -0.385 3.579 3.960 0.007 0.000 0.238 261 G C 0.687 175.595 174.900 0.012 0.000 1.062 261 G CA 0.528 45.635 45.100 0.011 0.000 0.629 261 G HN 0.737 nan 8.290 nan 0.000 0.514 262 S N -0.512 115.194 115.700 0.009 0.000 2.658 262 S HA 0.527 5.002 4.470 0.007 0.000 0.249 262 S C 0.168 174.773 174.600 0.009 0.000 1.363 262 S CA 0.423 58.627 58.200 0.006 0.000 0.964 262 S CB 1.675 64.876 63.200 0.002 0.000 0.973 262 S HN 1.300 nan 8.310 nan 0.000 0.588 263 V N 1.020 120.931 119.914 -0.005 0.000 2.577 263 V HA 0.497 4.622 4.120 0.007 0.000 0.303 263 V C 0.012 176.089 176.094 -0.028 0.000 1.042 263 V CA -0.760 61.534 62.300 -0.009 0.000 0.872 263 V CB 1.582 33.383 31.823 -0.038 0.000 0.998 263 V HN 0.911 nan 8.190 nan 0.000 0.423 264 R N 3.000 123.519 120.500 0.032 0.000 2.221 264 R HA 0.655 4.999 4.340 0.007 0.000 0.327 264 R C 0.768 177.048 176.300 -0.033 0.000 1.033 264 R CA 1.012 57.135 56.100 0.039 0.000 0.887 264 R CB 0.867 31.262 30.300 0.157 0.000 1.057 264 R HN 1.140 nan 8.270 nan 0.000 0.455 265 G N 3.103 111.796 108.800 -0.178 0.000 2.715 265 G HA2 -0.236 3.729 3.960 0.007 0.000 0.221 265 G HA3 -0.236 3.729 3.960 0.007 0.000 0.221 265 G C -1.246 173.320 174.900 -0.557 0.000 1.204 265 G CA 0.014 44.943 45.100 -0.284 0.000 1.063 265 G HN 0.618 nan 8.290 nan 0.000 0.586 266 D N 1.712 121.916 120.400 -0.326 0.000 2.453 266 D HA 0.587 5.231 4.640 0.007 0.000 0.238 266 D C -1.451 174.763 176.300 -0.143 0.000 1.088 266 D CA -1.771 52.057 54.000 -0.286 0.000 0.854 266 D CB 1.924 42.819 40.800 0.158 0.000 1.076 266 D HN -0.033 nan 8.370 nan 0.000 0.533 267 P HA -0.106 nan 4.420 nan 0.000 0.219 267 P C 1.027 178.327 177.300 -0.000 0.000 1.146 267 P CA 0.971 64.034 63.100 -0.062 0.000 0.808 267 P CB 0.339 32.010 31.700 -0.048 0.000 0.779 268 A N -0.165 122.667 122.820 0.020 0.000 1.972 268 A HA -0.160 4.165 4.320 0.007 0.000 0.219 268 A C 1.706 179.332 177.584 0.071 0.000 1.169 268 A CA 1.494 53.571 52.037 0.066 0.000 0.635 268 A CB -1.056 18.000 19.000 0.093 0.000 0.810 268 A HN 0.169 nan 8.150 nan 0.000 0.446 269 N N 0.053 118.784 118.700 0.052 0.000 2.295 269 N HA 0.134 4.878 4.740 0.007 0.000 0.221 269 N C 1.095 176.600 175.510 -0.008 0.000 1.129 269 N CA 0.205 53.275 53.050 0.032 0.000 0.836 269 N CB 0.573 39.079 38.487 0.033 0.000 1.040 269 N HN 0.245 nan 8.380 nan 0.000 0.494 270 V N 0.849 120.763 119.914 -0.001 0.000 2.295 270 V HA -0.213 3.911 4.120 0.007 0.000 0.246 270 V C 2.413 178.503 176.094 -0.006 0.000 1.049 270 V CA 1.645 63.940 62.300 -0.008 0.000 1.024 270 V CB -0.256 31.571 31.823 0.007 0.000 0.648 270 V HN 0.362 nan 8.190 nan 0.000 0.447 271 E N -0.441 119.758 120.200 -0.002 0.000 2.051 271 E HA -0.256 4.098 4.350 0.007 0.000 0.192 271 E C 2.162 178.678 176.600 -0.139 0.000 0.991 271 E CA 1.631 58.001 56.400 -0.050 0.000 0.799 271 E CB -0.139 29.555 29.700 -0.009 0.000 0.748 271 E HN 0.483 nan 8.360 nan 0.000 0.449 272 I N 0.793 121.293 120.570 -0.116 0.000 2.286 272 I HA -0.232 3.942 4.170 0.007 0.000 0.248 272 I C 2.088 178.152 176.117 -0.088 0.000 1.115 272 I CA 1.548 62.760 61.300 -0.146 0.000 1.392 272 I CB -0.377 37.596 38.000 -0.046 0.000 1.065 272 I HN 0.075 nan 8.210 nan 0.000 0.418 273 T N 0.252 114.777 114.554 -0.047 0.000 2.720 273 T HA -0.192 4.162 4.350 0.007 0.000 0.268 273 T C 1.707 176.477 174.700 0.117 0.000 1.037 273 T CA 1.775 63.888 62.100 0.022 0.000 1.144 273 T CB -0.331 68.545 68.868 0.013 0.000 0.864 273 T HN 0.483 nan 8.240 nan 0.000 0.444 274 E N 0.482 120.716 120.200 0.057 0.000 2.268 274 E HA 0.037 4.391 4.350 0.007 0.000 0.195 274 E C 2.071 178.703 176.600 0.053 0.000 0.995 274 E CA 0.471 56.910 56.400 0.066 0.000 0.836 274 E CB -0.161 29.553 29.700 0.023 0.000 0.763 274 E HN 0.426 nan 8.360 nan 0.000 0.491 275 L N -0.046 121.179 121.223 0.003 0.000 2.095 275 L HA -0.135 4.210 4.340 0.007 0.000 0.204 275 L C 2.399 179.380 176.870 0.185 0.000 1.080 275 L CA 0.526 55.401 54.840 0.058 0.000 0.759 275 L CB -0.131 41.861 42.059 -0.112 0.000 0.914 275 L HN 0.285 nan 8.230 nan 0.000 0.439 276 C N -0.122 119.235 119.300 0.095 0.000 2.429 276 C HA -0.145 4.319 4.460 0.007 0.000 0.277 276 C C 2.688 177.858 174.990 0.300 0.000 1.262 276 C CA 0.395 59.485 59.018 0.119 0.000 1.733 276 C CB -0.579 27.133 27.740 -0.046 0.000 2.010 276 C HN 0.411 nan 8.230 nan 0.000 0.483 277 I N 0.568 121.335 120.570 0.328 0.000 2.127 277 I HA -0.302 3.872 4.170 0.007 0.000 0.241 277 I C 2.660 178.849 176.117 0.120 0.000 1.075 277 I CA 1.712 63.160 61.300 0.248 0.000 1.334 277 I CB -0.622 37.493 38.000 0.192 0.000 1.040 277 I HN 0.451 nan 8.210 nan 0.000 0.405 278 Q N -0.426 119.422 119.800 0.081 0.000 2.297 278 Q HA -0.222 4.123 4.340 0.007 0.000 0.208 278 Q C 0.849 176.752 176.000 -0.162 0.000 0.981 278 Q CA 1.212 56.988 55.803 -0.046 0.000 0.876 278 Q CB -0.147 28.544 28.738 -0.078 0.000 0.921 278 Q HN 0.624 nan 8.270 nan 0.000 0.446 279 H N -1.622 117.439 119.070 -0.015 0.000 2.524 279 H HA 0.255 4.816 4.556 0.008 0.000 0.299 279 H C 0.793 176.099 175.328 -0.036 0.000 1.074 279 H CA 0.427 56.439 56.048 -0.059 0.000 1.115 279 H CB 0.571 30.254 29.762 -0.132 0.000 1.522 279 H HN 0.364 nan 8.280 nan 0.000 0.543 280 G N -0.124 108.711 108.800 0.058 0.000 2.195 280 G HA2 -0.292 3.672 3.960 0.007 0.000 0.246 280 G HA3 -0.292 3.672 3.960 0.007 0.000 0.246 280 G C 0.128 175.086 174.900 0.097 0.000 0.984 280 G CA -0.045 45.078 45.100 0.038 0.000 0.633 280 G HN 0.429 nan 8.290 nan 0.000 0.525 281 W N 2.597 123.878 121.300 -0.032 0.000 2.253 281 W HA 0.611 5.275 4.660 0.008 0.000 0.322 281 W C 0.240 176.753 176.519 -0.010 0.000 1.342 281 W CA 0.436 57.766 57.345 -0.025 0.000 1.218 281 W CB 0.662 30.117 29.460 -0.008 0.000 1.205 281 W HN 0.018 nan 8.180 nan 0.000 0.551 282 T N 9.940 124.127 114.554 -0.612 0.000 2.747 282 T HA 0.195 4.550 4.350 0.007 0.000 0.301 282 T C -1.862 172.066 174.700 -1.287 0.000 0.952 282 T CA -0.945 60.759 62.100 -0.660 0.000 0.983 282 T CB 0.470 69.124 68.868 -0.356 0.000 0.930 282 T HN 0.276 nan 8.240 nan 0.000 0.494 283 P HA 0.331 nan 4.420 nan 0.000 0.272 283 P C 0.245 177.159 177.300 -0.644 0.000 1.254 283 P CA -0.243 62.120 63.100 -1.229 0.000 0.795 283 P CB 0.830 32.212 31.700 -0.530 0.000 1.022 284 G N -0.323 108.259 108.800 -0.364 0.000 3.217 284 G HA2 0.419 4.383 3.960 0.007 0.000 0.213 284 G HA3 0.419 4.383 3.960 0.007 0.000 0.213 284 G C -0.958 173.648 174.900 -0.491 0.000 1.294 284 G CA -0.495 44.474 45.100 -0.218 0.000 0.987 284 G HN 0.566 nan 8.290 nan 0.000 0.584 285 N N -0.841 117.693 118.700 -0.278 0.000 2.700 285 N HA 0.463 5.207 4.740 0.007 0.000 0.242 285 N C -0.329 175.162 175.510 -0.032 0.000 1.541 285 N CA 0.094 52.937 53.050 -0.344 0.000 0.764 285 N CB 0.814 39.125 38.487 -0.294 0.000 1.319 285 N HN 0.840 nan 8.380 nan 0.000 0.518 286 G N -0.185 108.724 108.800 0.181 0.000 2.642 286 G HA2 0.329 4.293 3.960 0.007 0.000 0.293 286 G HA3 0.329 4.293 3.960 0.007 0.000 0.293 286 G C 0.370 175.342 174.900 0.120 0.000 1.341 286 G CA -0.604 44.577 45.100 0.136 0.000 0.916 286 G HN 0.242 nan 8.290 nan 0.000 0.474 287 R N -0.716 119.719 120.500 -0.108 0.000 2.119 287 R HA 0.057 4.402 4.340 0.007 0.000 0.222 287 R C 0.044 175.946 176.300 -0.664 0.000 1.088 287 R CA 0.982 56.833 56.100 -0.415 0.000 0.984 287 R CB -0.008 29.853 30.300 -0.732 0.000 0.884 287 R HN 0.369 nan 8.270 nan 0.000 0.447 288 F N 1.316 121.193 119.950 -0.121 0.000 2.664 288 F HA 0.269 4.801 4.527 0.008 0.000 0.322 288 F C -0.650 175.036 175.800 -0.191 0.000 1.324 288 F CA -1.231 56.451 58.000 -0.529 0.000 1.154 288 F CB 0.347 38.955 39.000 -0.654 0.000 1.236 288 F HN -0.288 nan 8.300 nan 0.000 0.532 289 D N 1.028 121.540 120.400 0.188 0.000 2.232 289 D HA 0.258 4.903 4.640 0.007 0.000 0.242 289 D C 0.055 176.584 176.300 0.383 0.000 1.093 289 D CA -0.120 54.073 54.000 0.322 0.000 0.845 289 D CB 2.485 43.538 40.800 0.422 0.000 1.124 289 D HN -0.087 nan 8.370 nan 0.000 0.467 290 V N 3.456 123.563 119.914 0.321 0.000 2.508 290 V HA 0.077 4.202 4.120 0.007 0.000 0.281 290 V C 0.881 176.963 176.094 -0.021 0.000 1.041 290 V CA -0.456 61.929 62.300 0.142 0.000 1.016 290 V CB 0.423 32.284 31.823 0.064 0.000 0.984 290 V HN 0.345 nan 8.190 nan 0.000 0.478 291 L N 8.215 129.329 121.223 -0.182 0.000 2.452 291 L HA 0.348 4.692 4.340 0.007 0.000 0.267 291 L C -1.713 174.905 176.870 -0.419 0.000 1.188 291 L CA -1.293 53.278 54.840 -0.449 0.000 0.821 291 L CB 0.954 42.784 42.059 -0.382 0.000 1.102 291 L HN 0.489 nan 8.230 nan 0.000 0.470 292 P HA 0.215 nan 4.420 nan 0.000 0.281 292 P C -1.146 175.995 177.300 -0.265 0.000 1.264 292 P CA -0.712 62.154 63.100 -0.390 0.000 0.824 292 P CB 1.221 32.598 31.700 -0.538 0.000 1.092 293 L N 1.612 122.765 121.223 -0.117 0.000 2.395 293 L HA 0.260 4.604 4.340 0.007 0.000 0.269 293 L C 0.479 177.317 176.870 -0.054 0.000 1.133 293 L CA -0.245 54.572 54.840 -0.039 0.000 0.812 293 L CB -0.272 41.834 42.059 0.078 0.000 1.125 293 L HN 0.304 nan 8.230 nan 0.000 0.452 294 L N 4.505 125.694 121.223 -0.056 0.000 2.408 294 L HA 0.442 4.787 4.340 0.007 0.000 0.257 294 L C -0.653 176.132 176.870 -0.142 0.000 1.053 294 L CA 0.084 54.810 54.840 -0.189 0.000 0.922 294 L CB 0.319 42.214 42.059 -0.273 0.000 1.261 294 L HN 0.366 nan 8.230 nan 0.000 0.458 295 L N 3.146 124.350 121.223 -0.031 0.000 2.292 295 L HA 0.520 4.864 4.340 0.007 0.000 0.284 295 L C 0.035 176.875 176.870 -0.050 0.000 1.065 295 L CA -0.265 54.579 54.840 0.007 0.000 0.806 295 L CB 1.292 43.369 42.059 0.030 0.000 1.175 295 L HN 0.526 nan 8.230 nan 0.000 0.431 296 Q N 2.745 122.534 119.800 -0.018 0.000 2.325 296 Q HA 0.686 5.030 4.340 0.007 0.000 0.270 296 Q C -1.158 174.785 176.000 -0.096 0.000 1.020 296 Q CA -0.588 55.196 55.803 -0.032 0.000 0.785 296 Q CB 2.117 30.927 28.738 0.121 0.000 1.259 296 Q HN 0.789 nan 8.270 nan 0.000 0.452 297 A N 4.799 127.510 122.820 -0.183 0.000 2.269 297 A HA 0.696 5.020 4.320 0.007 0.000 0.319 297 A C -2.464 174.837 177.584 -0.471 0.000 1.110 297 A CA -1.795 49.961 52.037 -0.469 0.000 0.847 297 A CB 0.298 19.146 19.000 -0.253 0.000 1.161 297 A HN 0.647 nan 8.150 nan 0.000 0.497 298 P HA 0.034 nan 4.420 nan 0.000 0.260 298 P C -0.504 176.694 177.300 -0.170 0.000 1.172 298 P CA 0.943 63.823 63.100 -0.368 0.000 0.760 298 P CB 0.127 31.625 31.700 -0.336 0.000 0.773 299 D N -0.092 120.252 120.400 -0.093 0.000 3.006 299 D HA -0.196 4.448 4.640 0.007 0.000 0.208 299 D C -0.154 176.131 176.300 -0.025 0.000 1.116 299 D CA 1.305 55.282 54.000 -0.037 0.000 0.998 299 D CB -0.718 40.066 40.800 -0.028 0.000 1.124 299 D HN 0.559 nan 8.370 nan 0.000 0.413 300 E N 0.025 120.198 120.200 -0.046 0.000 2.212 300 E HA 0.625 4.979 4.350 0.007 0.000 0.270 300 E C 0.178 176.766 176.600 -0.020 0.000 0.956 300 E CA -0.565 55.815 56.400 -0.032 0.000 0.825 300 E CB 1.482 31.153 29.700 -0.049 0.000 1.167 300 E HN 0.204 nan 8.360 nan 0.000 0.400 301 A N 3.145 125.955 122.820 -0.017 0.000 2.386 301 A HA 0.270 4.595 4.320 0.007 0.000 0.246 301 A C -2.065 175.441 177.584 -0.130 0.000 1.089 301 A CA -0.951 51.069 52.037 -0.028 0.000 0.790 301 A CB -0.360 18.636 19.000 -0.006 0.000 1.042 301 A HN 0.386 nan 8.150 nan 0.000 0.497 302 P HA 0.247 nan 4.420 nan 0.000 0.275 302 P C -0.787 176.305 177.300 -0.345 0.000 1.227 302 P CA 0.008 62.822 63.100 -0.476 0.000 0.781 302 P CB 0.838 31.828 31.700 -1.183 0.000 0.906 303 E N 1.045 121.113 120.200 -0.220 0.000 2.191 303 E HA 0.416 4.770 4.350 0.007 0.000 0.274 303 E C -0.705 175.671 176.600 -0.374 0.000 0.948 303 E CA -1.023 55.217 56.400 -0.268 0.000 0.802 303 E CB 1.327 30.914 29.700 -0.189 0.000 1.137 303 E HN 0.295 nan 8.360 nan 0.000 0.397 304 L N 3.279 124.176 121.223 -0.542 0.000 2.289 304 L HA 0.434 4.778 4.340 0.007 0.000 0.285 304 L C -1.596 174.796 176.870 -0.797 0.000 1.049 304 L CA 0.095 54.655 54.840 -0.467 0.000 0.804 304 L CB 0.172 42.065 42.059 -0.276 0.000 1.195 304 L HN 0.398 nan 8.230 nan 0.000 0.428 305 F N 4.132 123.859 119.950 -0.372 0.000 2.547 305 F HA 0.522 5.054 4.527 0.009 0.000 0.316 305 F C -0.309 175.200 175.800 -0.484 0.000 1.121 305 F CA -0.894 56.722 58.000 -0.641 0.000 0.911 305 F CB 1.908 40.155 39.000 -1.256 0.000 1.179 305 F HN 0.027 nan 8.300 nan 0.000 0.443 306 V N 4.611 124.400 119.914 -0.208 0.000 2.407 306 V HA 0.319 4.444 4.120 0.007 0.000 0.278 306 V C 0.120 176.318 176.094 0.174 0.000 1.037 306 V CA -0.784 61.508 62.300 -0.014 0.000 0.900 306 V CB 1.448 33.301 31.823 0.051 0.000 0.983 306 V HN 0.546 nan 8.190 nan 0.000 0.459 307 L N 7.175 128.529 121.223 0.218 0.000 2.410 307 L HA 0.295 4.640 4.340 0.007 0.000 0.273 307 L C -2.102 174.882 176.870 0.190 0.000 1.152 307 L CA -1.385 53.628 54.840 0.289 0.000 0.855 307 L CB 0.605 42.755 42.059 0.151 0.000 1.129 307 L HN 0.441 nan 8.230 nan 0.000 0.463 308 P HA 0.080 nan 4.420 nan 0.000 0.267 308 P C -2.044 175.303 177.300 0.078 0.000 1.205 308 P CA -0.954 62.216 63.100 0.116 0.000 0.765 308 P CB 0.436 32.188 31.700 0.087 0.000 0.828 309 P HA -0.230 nan 4.420 nan 0.000 0.217 309 P C 1.347 178.673 177.300 0.044 0.000 1.148 309 P CA 1.330 64.468 63.100 0.063 0.000 0.828 309 P CB -0.118 31.622 31.700 0.066 0.000 0.783 310 E N -0.557 119.665 120.200 0.037 0.000 2.204 310 E HA -0.131 4.224 4.350 0.007 0.000 0.194 310 E C 1.634 178.243 176.600 0.016 0.000 0.989 310 E CA 1.037 57.451 56.400 0.023 0.000 0.824 310 E CB -1.080 28.631 29.700 0.019 0.000 0.756 310 E HN 0.214 nan 8.360 nan 0.000 0.477 311 L N 1.192 122.425 121.223 0.016 0.000 2.313 311 L HA 0.003 4.347 4.340 0.007 0.000 0.214 311 L C 0.873 177.747 176.870 0.007 0.000 1.119 311 L CA 0.716 55.558 54.840 0.004 0.000 0.809 311 L CB 0.184 42.237 42.059 -0.010 0.000 0.933 311 L HN -0.083 nan 8.230 nan 0.000 0.449 312 V N 1.468 121.390 119.914 0.014 0.000 2.304 312 V HA 0.184 4.308 4.120 0.007 0.000 0.262 312 V C -0.043 176.068 176.094 0.029 0.000 1.061 312 V CA -0.796 61.510 62.300 0.010 0.000 0.872 312 V CB 0.889 32.710 31.823 -0.003 0.000 1.077 312 V HN -0.018 nan 8.190 nan 0.000 0.480 313 L N 5.592 126.837 121.223 0.036 0.000 2.360 313 L HA 0.462 4.807 4.340 0.007 0.000 0.276 313 L C 0.165 177.063 176.870 0.048 0.000 1.121 313 L CA 0.794 55.650 54.840 0.028 0.000 0.845 313 L CB 0.496 42.565 42.059 0.017 0.000 1.143 313 L HN 0.661 nan 8.230 nan 0.000 0.452 314 E N 3.110 123.320 120.200 0.016 0.000 2.336 314 E HA 0.639 4.994 4.350 0.007 0.000 0.267 314 E C -1.512 175.035 176.600 -0.088 0.000 0.906 314 E CA -1.025 55.384 56.400 0.016 0.000 0.781 314 E CB 2.472 32.209 29.700 0.062 0.000 1.261 314 E HN 0.363 nan 8.360 nan 0.000 0.436 315 V N 2.435 122.267 119.914 -0.136 0.000 2.443 315 V HA 0.325 4.449 4.120 0.007 0.000 0.293 315 V C -2.505 173.526 176.094 -0.105 0.000 1.021 315 V CA -1.994 60.168 62.300 -0.230 0.000 0.848 315 V CB 1.463 32.912 31.823 -0.624 0.000 0.998 315 V HN 0.525 nan 8.190 nan 0.000 0.424 316 P HA 0.340 nan 4.420 nan 0.000 0.282 316 P C -0.582 176.735 177.300 0.028 0.000 1.262 316 P CA -0.175 62.906 63.100 -0.032 0.000 0.773 316 P CB 0.591 32.281 31.700 -0.017 0.000 0.879 317 L N 4.202 125.476 121.223 0.084 0.000 2.331 317 L HA 0.398 4.742 4.340 0.007 0.000 0.278 317 L C 1.098 178.123 176.870 0.259 0.000 1.106 317 L CA 0.050 54.999 54.840 0.180 0.000 0.824 317 L CB 0.267 42.492 42.059 0.278 0.000 1.142 317 L HN 0.477 nan 8.230 nan 0.000 0.443 318 E N 1.904 122.213 120.200 0.182 0.000 2.433 318 E HA 0.430 4.784 4.350 0.007 0.000 0.273 318 E C -1.325 175.238 176.600 -0.062 0.000 0.950 318 E CA -0.977 55.528 56.400 0.176 0.000 0.796 318 E CB 2.205 31.997 29.700 0.153 0.000 1.330 318 E HN 0.465 nan 8.360 nan 0.000 0.455 319 H N 1.076 119.976 119.070 -0.284 0.000 2.492 319 H HA 0.232 4.793 4.556 0.008 0.000 0.345 319 H C -1.773 173.207 175.328 -0.580 0.000 1.136 319 H CA -2.312 53.414 56.048 -0.536 0.000 1.202 319 H CB 2.090 31.494 29.762 -0.598 0.000 1.524 319 H HN 0.417 nan 8.280 nan 0.000 0.506 320 P HA -0.128 nan 4.420 nan 0.000 0.219 320 P C 0.845 177.967 177.300 -0.297 0.000 1.146 320 P CA 1.650 64.240 63.100 -0.850 0.000 0.808 320 P CB 0.479 31.719 31.700 -0.768 0.000 0.779 321 T N -4.305 110.231 114.554 -0.031 0.000 3.057 321 T HA 0.181 4.536 4.350 0.007 0.000 0.254 321 T C 0.918 175.587 174.700 -0.052 0.000 0.965 321 T CA -0.277 61.827 62.100 0.008 0.000 0.978 321 T CB -0.575 68.316 68.868 0.037 0.000 1.169 321 T HN -0.065 nan 8.240 nan 0.000 0.489 322 L N 3.018 124.150 121.223 -0.151 0.000 2.462 322 L HA 0.313 4.657 4.340 0.007 0.000 0.283 322 L C 1.315 177.843 176.870 -0.570 0.000 1.166 322 L CA -0.171 54.305 54.840 -0.607 0.000 0.964 322 L CB 0.098 41.399 42.059 -1.264 0.000 1.294 322 L HN 0.305 nan 8.230 nan 0.000 0.449 323 E N 3.067 123.105 120.200 -0.269 0.000 2.219 323 E HA -0.225 4.129 4.350 0.007 0.000 0.198 323 E C 1.574 178.160 176.600 -0.023 0.000 0.998 323 E CA 1.649 57.993 56.400 -0.093 0.000 0.818 323 E CB 0.007 29.718 29.700 0.018 0.000 0.741 323 E HN 0.836 nan 8.360 nan 0.000 0.477 324 W N -0.352 120.998 121.300 0.083 0.000 2.678 324 W HA -0.005 4.659 4.660 0.008 0.000 0.256 324 W C 1.437 178.007 176.519 0.084 0.000 1.280 324 W CA -0.272 57.111 57.345 0.063 0.000 1.345 324 W CB -0.774 28.700 29.460 0.022 0.000 1.118 324 W HN -0.069 nan 8.180 nan 0.000 0.629 325 F N 2.953 122.730 119.950 -0.289 0.000 2.161 325 F HA -0.113 4.418 4.527 0.007 0.000 0.300 325 F C 2.689 178.529 175.800 0.068 0.000 1.089 325 F CA 2.619 60.542 58.000 -0.128 0.000 1.282 325 F CB -0.671 38.105 39.000 -0.374 0.000 1.010 325 F HN -0.073 nan 8.300 nan 0.000 0.485 326 A N 0.200 123.174 122.820 0.257 0.000 1.908 326 A HA -0.147 4.177 4.320 0.007 0.000 0.218 326 A C 2.364 180.036 177.584 0.146 0.000 1.181 326 A CA 1.812 53.968 52.037 0.198 0.000 0.627 326 A CB -1.561 17.521 19.000 0.136 0.000 0.818 326 A HN 0.424 nan 8.150 nan 0.000 0.445 327 A N -1.107 121.803 122.820 0.149 0.000 2.178 327 A HA 0.045 4.369 4.320 0.007 0.000 0.218 327 A C 1.762 179.404 177.584 0.096 0.000 1.157 327 A CA 1.353 53.463 52.037 0.123 0.000 0.689 327 A CB -0.435 18.649 19.000 0.141 0.000 0.787 327 A HN 0.380 nan 8.150 nan 0.000 0.465 328 L N -0.941 120.325 121.223 0.070 0.000 2.362 328 L HA 0.071 4.415 4.340 0.007 0.000 0.219 328 L C 1.911 178.826 176.870 0.076 0.000 1.134 328 L CA 1.195 56.046 54.840 0.018 0.000 0.807 328 L CB -1.284 40.680 42.059 -0.159 0.000 0.927 328 L HN 0.661 nan 8.230 nan 0.000 0.447 329 G N -0.504 108.353 108.800 0.094 0.000 2.198 329 G HA2 -0.293 3.671 3.960 0.007 0.000 0.260 329 G HA3 -0.293 3.671 3.960 0.007 0.000 0.260 329 G C 0.370 175.362 174.900 0.153 0.000 1.025 329 G CA 0.415 45.589 45.100 0.123 0.000 0.769 329 G HN 0.323 nan 8.290 nan 0.000 0.507 330 L N -0.444 120.836 121.223 0.095 0.000 2.421 330 L HA 0.846 5.190 4.340 0.007 0.000 0.263 330 L C 1.094 177.793 176.870 -0.286 0.000 1.122 330 L CA -0.721 54.112 54.840 -0.012 0.000 0.804 330 L CB 1.032 43.180 42.059 0.148 0.000 1.150 330 L HN 0.570 nan 8.230 nan 0.000 0.457 331 R N 0.872 120.957 120.500 -0.692 0.000 2.741 331 R HA 0.444 4.789 4.340 0.007 0.000 0.276 331 R C -2.198 173.982 176.300 -0.200 0.000 1.028 331 R CA -1.038 54.808 56.100 -0.424 0.000 0.865 331 R CB 1.507 31.508 30.300 -0.499 0.000 1.268 331 R HN 0.610 nan 8.270 nan 0.000 0.475 332 W N 1.608 122.848 121.300 -0.099 0.000 3.213 332 W HA 0.349 5.013 4.660 0.007 0.000 0.318 332 W C -1.170 175.433 176.519 0.140 0.000 1.248 332 W CA -0.993 56.397 57.345 0.074 0.000 1.187 332 W CB 2.011 31.442 29.460 -0.049 0.000 1.403 332 W HN 0.688 nan 8.180 nan 0.000 0.556 333 Y N 1.155 121.359 120.300 -0.159 0.000 2.336 333 Y HA 0.517 5.071 4.550 0.007 0.000 0.331 333 Y C 0.806 176.927 175.900 0.368 0.000 1.211 333 Y CA 0.185 58.290 58.100 0.008 0.000 1.346 333 Y CB 0.342 38.674 38.460 -0.214 0.000 1.271 333 Y HN 0.356 nan 8.280 nan 0.000 0.538 334 A N 2.833 125.893 122.820 0.400 0.000 2.016 334 A HA 0.060 4.385 4.320 0.007 0.000 0.217 334 A C 0.457 178.336 177.584 0.493 0.000 1.162 334 A CA 0.359 52.668 52.037 0.452 0.000 0.662 334 A CB -0.299 18.806 19.000 0.176 0.000 0.812 334 A HN 0.700 nan 8.150 nan 0.000 0.450 335 L N 1.817 123.298 121.223 0.430 0.000 2.276 335 L HA 0.427 4.771 4.340 0.007 0.000 0.286 335 L C -2.594 174.404 176.870 0.213 0.000 1.024 335 L CA -2.150 52.847 54.840 0.261 0.000 0.826 335 L CB 1.743 43.898 42.059 0.161 0.000 1.211 335 L HN -0.043 nan 8.230 nan 0.000 0.422 336 P HA 0.339 nan 4.420 nan 0.000 0.295 336 P C -1.444 175.744 177.300 -0.186 0.000 1.354 336 P CA -0.358 62.601 63.100 -0.235 0.000 0.814 336 P CB 1.446 32.632 31.700 -0.856 0.000 0.935 337 A N 4.579 127.293 122.820 -0.176 0.000 2.545 337 A HA 0.400 4.724 4.320 0.007 0.000 0.300 337 A C -0.160 177.157 177.584 -0.446 0.000 1.252 337 A CA -0.641 51.200 52.037 -0.326 0.000 0.753 337 A CB 0.679 19.509 19.000 -0.285 0.000 1.144 337 A HN 0.293 nan 8.150 nan 0.000 0.457 338 V N 2.700 122.156 119.914 -0.764 0.000 2.529 338 V HA 0.192 4.316 4.120 0.007 0.000 0.292 338 V C 1.261 176.958 176.094 -0.661 0.000 1.028 338 V CA 1.278 63.137 62.300 -0.735 0.000 1.074 338 V CB 0.930 32.186 31.823 -0.944 0.000 0.958 338 V HN 1.063 nan 8.190 nan 0.000 0.481 339 S N 1.694 117.217 115.700 -0.296 0.000 2.666 339 S HA 0.027 4.501 4.470 0.007 0.000 0.239 339 S C 0.930 175.524 174.600 -0.011 0.000 1.031 339 S CA 0.106 58.224 58.200 -0.138 0.000 1.015 339 S CB -0.345 62.802 63.200 -0.087 0.000 0.981 339 S HN 0.911 nan 8.310 nan 0.000 0.547 340 N N 0.489 119.189 118.700 -0.001 0.000 2.236 340 N HA 0.254 4.998 4.740 0.007 0.000 0.196 340 N C 0.357 175.921 175.510 0.090 0.000 1.114 340 N CA -0.388 52.691 53.050 0.048 0.000 0.859 340 N CB -0.050 38.461 38.487 0.039 0.000 0.982 340 N HN 0.262 nan 8.380 nan 0.000 0.493 341 M N 1.405 121.078 119.600 0.123 0.000 2.255 341 M HA 0.227 4.712 4.480 0.007 0.000 0.336 341 M C -0.325 176.116 176.300 0.234 0.000 1.135 341 M CA -0.571 54.846 55.300 0.195 0.000 1.145 341 M CB 2.000 34.739 32.600 0.233 0.000 1.473 341 M HN 0.160 nan 8.290 nan 0.000 0.462 342 L N 3.156 124.505 121.223 0.209 0.000 2.307 342 L HA 0.468 4.812 4.340 0.007 0.000 0.282 342 L C -1.227 175.776 176.870 0.221 0.000 1.051 342 L CA -0.863 54.090 54.840 0.190 0.000 0.804 342 L CB 1.042 43.165 42.059 0.107 0.000 1.197 342 L HN 0.566 nan 8.230 nan 0.000 0.431 343 L N 5.388 126.738 121.223 0.211 0.000 2.276 343 L HA 0.423 4.767 4.340 0.007 0.000 0.286 343 L C -0.491 176.416 176.870 0.062 0.000 1.024 343 L CA 0.172 55.038 54.840 0.043 0.000 0.826 343 L CB 1.118 43.190 42.059 0.022 0.000 1.211 343 L HN 0.590 nan 8.230 nan 0.000 0.422 344 E N 6.689 126.844 120.200 -0.076 0.000 2.133 344 E HA 0.377 4.731 4.350 0.007 0.000 0.274 344 E C -1.528 174.986 176.600 -0.144 0.000 0.930 344 E CA -0.390 55.970 56.400 -0.066 0.000 0.770 344 E CB 1.054 30.713 29.700 -0.067 0.000 1.104 344 E HN 0.717 nan 8.360 nan 0.000 0.403 345 I N 2.848 123.336 120.570 -0.136 0.000 2.468 345 I HA 0.257 4.432 4.170 0.007 0.000 0.285 345 I C 0.782 176.700 176.117 -0.331 0.000 1.039 345 I CA -0.699 60.390 61.300 -0.350 0.000 1.074 345 I CB 1.893 39.628 38.000 -0.442 0.000 1.228 345 I HN 0.798 nan 8.210 nan 0.000 0.436 346 G N 4.249 112.905 108.800 -0.241 0.000 2.341 346 G HA2 -0.152 3.812 3.960 0.007 0.000 0.292 346 G HA3 -0.152 3.812 3.960 0.007 0.000 0.292 346 G C 1.025 176.010 174.900 0.140 0.000 1.021 346 G CA 0.756 45.918 45.100 0.104 0.000 0.905 346 G HN 1.513 nan 8.290 nan 0.000 0.508 347 G N -1.974 106.845 108.800 0.032 0.000 2.225 347 G HA2 -0.251 3.713 3.960 0.007 0.000 0.254 347 G HA3 -0.251 3.713 3.960 0.007 0.000 0.254 347 G C 0.499 175.357 174.900 -0.069 0.000 0.988 347 G CA 0.519 45.630 45.100 0.019 0.000 0.625 347 G HN 1.331 nan 8.290 nan 0.000 0.527 348 L N 1.123 122.250 121.223 -0.159 0.000 2.326 348 L HA 0.521 4.866 4.340 0.007 0.000 0.278 348 L C 0.340 177.006 176.870 -0.340 0.000 1.092 348 L CA -0.415 54.218 54.840 -0.345 0.000 0.810 348 L CB 1.074 42.813 42.059 -0.532 0.000 1.153 348 L HN 0.205 nan 8.230 nan 0.000 0.439 349 E N 3.090 123.055 120.200 -0.392 0.000 2.166 349 E HA 0.348 4.702 4.350 0.007 0.000 0.275 349 E C -1.340 175.014 176.600 -0.409 0.000 0.941 349 E CA -0.400 55.841 56.400 -0.264 0.000 0.784 349 E CB 1.527 31.144 29.700 -0.138 0.000 1.115 349 E HN 0.294 nan 8.360 nan 0.000 0.399 350 F N 2.033 121.960 119.950 -0.039 0.000 2.319 350 F HA 0.089 4.621 4.527 0.009 0.000 0.356 350 F C 1.485 177.327 175.800 0.071 0.000 1.100 350 F CA -0.484 57.520 58.000 0.007 0.000 1.220 350 F CB 0.870 39.857 39.000 -0.020 0.000 1.506 350 F HN 0.446 nan 8.300 nan 0.000 0.512 351 S N 0.957 116.763 115.700 0.177 0.000 2.462 351 S HA -0.001 4.474 4.470 0.007 0.000 0.243 351 S C 0.849 175.578 174.600 0.214 0.000 1.003 351 S CA 0.614 58.913 58.200 0.166 0.000 0.970 351 S CB -0.096 63.175 63.200 0.119 0.000 0.762 351 S HN 0.470 nan 8.310 nan 0.000 0.510 352 A N 0.198 123.194 122.820 0.293 0.000 2.457 352 A HA 0.821 5.145 4.320 0.007 0.000 0.283 352 A C -0.224 177.618 177.584 0.430 0.000 1.166 352 A CA -0.151 52.083 52.037 0.328 0.000 0.740 352 A CB 1.113 20.286 19.000 0.288 0.000 1.181 352 A HN 1.136 nan 8.150 nan 0.000 0.446 353 A N 4.088 127.111 122.820 0.337 0.000 3.330 353 A HA 0.615 4.939 4.320 0.007 0.000 0.256 353 A C -3.030 174.706 177.584 0.254 0.000 1.185 353 A CA -0.825 51.370 52.037 0.264 0.000 0.940 353 A CB 0.302 19.440 19.000 0.229 0.000 1.397 353 A HN 0.521 nan 8.150 nan 0.000 0.678 354 P HA 0.402 nan 4.420 nan 0.000 0.266 354 P C -0.669 176.664 177.300 0.054 0.000 1.195 354 P CA 0.523 63.604 63.100 -0.032 0.000 0.768 354 P CB 0.242 31.875 31.700 -0.113 0.000 0.838 355 F N -0.509 119.382 119.950 -0.097 0.000 2.613 355 F HA 0.791 5.322 4.527 0.006 0.000 0.314 355 F C -0.649 175.068 175.800 -0.139 0.000 1.075 355 F CA -1.106 56.847 58.000 -0.078 0.000 0.945 355 F CB 1.646 40.489 39.000 -0.260 0.000 1.310 355 F HN 0.453 nan 8.300 nan 0.000 0.467 356 S N 0.036 115.814 115.700 0.131 0.000 2.588 356 S HA 0.956 5.430 4.470 0.007 0.000 0.269 356 S C -0.838 173.750 174.600 -0.019 0.000 1.157 356 S CA -0.184 58.018 58.200 0.004 0.000 0.824 356 S CB 1.440 64.688 63.200 0.079 0.000 1.126 356 S HN 1.662 nan 8.310 nan 0.000 0.464 357 G N -0.259 108.489 108.800 -0.086 0.000 3.255 357 G HA2 0.691 4.655 3.960 0.007 0.000 0.161 357 G HA3 0.691 4.655 3.960 0.007 0.000 0.161 357 G C -1.611 173.335 174.900 0.078 0.000 1.173 357 G CA -0.170 44.851 45.100 -0.132 0.000 1.106 357 G HN 1.185 nan 8.290 nan 0.000 0.650 358 W N -1.400 119.889 121.300 -0.019 0.000 3.017 358 W HA 0.853 5.516 4.660 0.006 0.000 0.341 358 W C -1.526 174.965 176.519 -0.047 0.000 1.180 358 W CA -1.874 55.467 57.345 -0.008 0.000 1.097 358 W CB 0.574 30.080 29.460 0.078 0.000 1.468 358 W HN 0.383 nan 8.180 nan 0.000 0.584 359 Y N 2.147 122.622 120.300 0.292 0.000 2.307 359 Y HA 0.392 4.947 4.550 0.008 0.000 0.324 359 Y C 0.650 176.591 175.900 0.069 0.000 1.238 359 Y CA -1.366 56.782 58.100 0.079 0.000 1.280 359 Y CB 1.505 39.929 38.460 -0.061 0.000 1.248 359 Y HN 0.386 nan 8.280 nan 0.000 0.508 360 M N 1.729 121.461 119.600 0.219 0.000 2.268 360 M HA 0.224 4.709 4.480 0.007 0.000 0.344 360 M C 0.938 177.213 176.300 -0.041 0.000 1.106 360 M CA -0.366 54.988 55.300 0.090 0.000 1.010 360 M CB 1.323 33.957 32.600 0.057 0.000 1.649 360 M HN 0.843 nan 8.290 nan 0.000 0.443 361 S N 1.465 117.103 115.700 -0.102 0.000 2.400 361 S HA -0.228 4.246 4.470 0.007 0.000 0.234 361 S C 1.503 175.963 174.600 -0.234 0.000 1.049 361 S CA 2.392 60.464 58.200 -0.215 0.000 1.039 361 S CB -1.511 61.605 63.200 -0.139 0.000 0.856 361 S HN 0.936 nan 8.310 nan 0.000 0.465 362 T N -0.038 114.419 114.554 -0.162 0.000 2.962 362 T HA 0.016 4.371 4.350 0.007 0.000 0.270 362 T C 1.516 176.066 174.700 -0.250 0.000 1.088 362 T CA 1.121 63.088 62.100 -0.222 0.000 1.127 362 T CB -0.548 68.168 68.868 -0.253 0.000 0.883 362 T HN 0.632 nan 8.240 nan 0.000 0.493 363 E N 0.719 120.774 120.200 -0.240 0.000 2.150 363 E HA 0.019 4.373 4.350 0.007 0.000 0.193 363 E C 1.905 178.207 176.600 -0.496 0.000 0.985 363 E CA 1.083 57.331 56.400 -0.254 0.000 0.814 363 E CB -0.194 29.461 29.700 -0.075 0.000 0.752 363 E HN 0.604 nan 8.360 nan 0.000 0.466 364 I N 0.092 120.241 120.570 -0.701 0.000 2.522 364 I HA -0.014 4.161 4.170 0.007 0.000 0.240 364 I C 2.569 178.323 176.117 -0.605 0.000 1.078 364 I CA 0.767 61.481 61.300 -0.978 0.000 1.422 364 I CB -0.518 36.813 38.000 -1.114 0.000 1.188 364 I HN 0.074 nan 8.210 nan 0.000 0.442 365 G N 0.105 108.657 108.800 -0.414 0.000 2.448 365 G HA2 -0.165 3.800 3.960 0.007 0.000 0.219 365 G HA3 -0.165 3.800 3.960 0.007 0.000 0.219 365 G C 1.548 176.343 174.900 -0.176 0.000 1.127 365 G CA 1.589 46.548 45.100 -0.235 0.000 0.766 365 G HN 0.311 nan 8.290 nan 0.000 0.552 366 T N -0.436 113.989 114.554 -0.214 0.000 3.156 366 T HA 0.119 4.473 4.350 0.007 0.000 0.236 366 T C 2.497 177.101 174.700 -0.159 0.000 0.978 366 T CA 0.077 62.076 62.100 -0.169 0.000 1.240 366 T CB 0.127 68.878 68.868 -0.195 0.000 0.951 366 T HN 0.007 nan 8.240 nan 0.000 0.420 367 R N 2.071 122.453 120.500 -0.196 0.000 2.055 367 R HA 0.149 4.493 4.340 0.007 0.000 0.228 367 R C 2.156 178.356 176.300 -0.168 0.000 1.143 367 R CA 1.075 57.073 56.100 -0.170 0.000 0.945 367 R CB -1.138 29.061 30.300 -0.169 0.000 0.841 367 R HN 0.320 nan 8.270 nan 0.000 0.429 368 N N 1.007 119.550 118.700 -0.263 0.000 2.084 368 N HA -0.091 4.653 4.740 0.007 0.000 0.190 368 N C 2.020 177.496 175.510 -0.057 0.000 1.030 368 N CA 1.131 54.029 53.050 -0.252 0.000 0.849 368 N CB -0.252 37.730 38.487 -0.841 0.000 1.012 368 N HN 0.182 nan 8.380 nan 0.000 0.423 369 L N -0.460 120.671 121.223 -0.153 0.000 2.168 369 L HA 0.031 4.376 4.340 0.007 0.000 0.203 369 L C 1.719 178.646 176.870 0.094 0.000 1.078 369 L CA 0.629 55.486 54.840 0.027 0.000 0.780 369 L CB -0.053 41.991 42.059 -0.026 0.000 0.939 369 L HN 0.163 nan 8.230 nan 0.000 0.451 370 C N -1.119 118.191 119.300 0.017 0.000 2.799 370 C HA 0.126 4.591 4.460 0.007 0.000 0.267 370 C C 0.746 175.750 174.990 0.023 0.000 1.257 370 C CA -0.915 58.123 59.018 0.033 0.000 1.702 370 C CB -0.729 27.014 27.740 0.005 0.000 1.934 370 C HN 0.311 nan 8.230 nan 0.000 0.594 371 D N 2.478 122.875 120.400 -0.004 0.000 2.414 371 D HA 0.077 4.721 4.640 0.007 0.000 0.242 371 D C -0.990 175.344 176.300 0.057 0.000 1.129 371 D CA -1.531 52.469 54.000 -0.000 0.000 0.885 371 D CB 0.763 41.486 40.800 -0.129 0.000 1.198 371 D HN 0.158 nan 8.370 nan 0.000 0.437 372 P HA -0.175 nan 4.420 nan 0.000 0.216 372 P C 0.696 178.105 177.300 0.182 0.000 1.150 372 P CA 1.411 64.603 63.100 0.153 0.000 0.837 372 P CB -0.027 31.757 31.700 0.140 0.000 0.786 373 H N -2.168 116.910 119.070 0.013 0.000 2.538 373 H HA 0.351 4.911 4.556 0.007 0.000 0.286 373 H C 1.017 176.351 175.328 0.010 0.000 1.035 373 H CA -0.256 55.797 56.048 0.008 0.000 1.169 373 H CB -0.174 29.592 29.762 0.007 0.000 1.417 373 H HN -0.008 nan 8.280 nan 0.000 0.567 374 R N -0.347 120.077 120.500 -0.127 0.000 2.845 374 R HA 0.181 4.525 4.340 0.007 0.000 0.112 374 R C 1.173 177.427 176.300 -0.075 0.000 1.012 374 R CA -0.691 55.347 56.100 -0.104 0.000 0.744 374 R CB -0.857 29.411 30.300 -0.054 0.000 0.926 374 R HN 0.084 nan 8.270 nan 0.000 0.376 375 Y N 1.624 121.958 120.300 0.057 0.000 2.333 375 Y HA -0.075 4.479 4.550 0.007 0.000 0.290 375 Y C 0.731 176.670 175.900 0.065 0.000 1.144 375 Y CA 1.534 59.685 58.100 0.085 0.000 1.228 375 Y CB -0.329 38.230 38.460 0.164 0.000 0.985 375 Y HN 0.564 nan 8.280 nan 0.000 0.542 376 N N 0.641 119.437 118.700 0.159 0.000 2.688 376 N HA -0.221 4.523 4.740 0.007 0.000 0.258 376 N C 0.407 176.003 175.510 0.143 0.000 1.016 376 N CA 0.320 53.444 53.050 0.123 0.000 0.747 376 N CB -0.992 37.546 38.487 0.085 0.000 0.895 376 N HN 0.608 nan 8.380 nan 0.000 0.543 377 I N -2.790 117.882 120.570 0.170 0.000 3.956 377 I HA 0.073 4.247 4.170 0.007 0.000 0.333 377 I C 1.590 177.804 176.117 0.160 0.000 1.302 377 I CA -0.481 60.916 61.300 0.161 0.000 1.122 377 I CB 0.064 38.172 38.000 0.181 0.000 1.013 377 I HN 0.139 nan 8.210 nan 0.000 0.405 378 L N 1.898 123.226 121.223 0.175 0.000 1.990 378 L HA -0.214 4.130 4.340 0.007 0.000 0.213 378 L C 2.565 179.622 176.870 0.312 0.000 1.072 378 L CA 2.244 57.218 54.840 0.223 0.000 0.755 378 L CB -0.899 41.269 42.059 0.181 0.000 0.889 378 L HN 0.519 nan 8.230 nan 0.000 0.432 379 E N -0.997 119.385 120.200 0.303 0.000 2.051 379 E HA -0.243 4.111 4.350 0.007 0.000 0.192 379 E C 1.739 178.368 176.600 0.048 0.000 0.991 379 E CA 1.488 57.999 56.400 0.186 0.000 0.799 379 E CB 0.004 29.762 29.700 0.096 0.000 0.748 379 E HN 0.508 nan 8.360 nan 0.000 0.449 380 D N 0.024 120.454 120.400 0.050 0.000 2.123 380 D HA -0.153 4.491 4.640 0.007 0.000 0.196 380 D C 2.072 178.354 176.300 -0.030 0.000 0.992 380 D CA 1.193 55.187 54.000 -0.010 0.000 0.833 380 D CB -0.224 40.580 40.800 0.007 0.000 0.954 380 D HN 0.149 nan 8.370 nan 0.000 0.455 381 V N 1.399 121.349 119.914 0.060 0.000 2.427 381 V HA -0.169 3.955 4.120 0.007 0.000 0.248 381 V C 2.526 178.682 176.094 0.102 0.000 1.051 381 V CA 1.521 63.894 62.300 0.122 0.000 1.048 381 V CB -0.716 31.269 31.823 0.270 0.000 0.666 381 V HN 0.164 nan 8.190 nan 0.000 0.456 382 A N 0.009 122.904 122.820 0.125 0.000 1.877 382 A HA -0.159 4.166 4.320 0.007 0.000 0.216 382 A C 2.407 179.957 177.584 -0.056 0.000 1.186 382 A CA 2.046 54.151 52.037 0.113 0.000 0.620 382 A CB -0.727 18.399 19.000 0.211 0.000 0.822 382 A HN 0.317 nan 8.150 nan 0.000 0.443 383 V N -0.628 119.205 119.914 -0.135 0.000 2.332 383 V HA -0.342 3.782 4.120 0.007 0.000 0.248 383 V C 2.609 178.551 176.094 -0.255 0.000 1.055 383 V CA 2.128 64.312 62.300 -0.192 0.000 1.038 383 V CB -1.033 30.679 31.823 -0.185 0.000 0.651 383 V HN 0.723 nan 8.190 nan 0.000 0.450 384 C N -0.663 118.415 119.300 -0.369 0.000 2.432 384 C HA -0.066 4.399 4.460 0.007 0.000 0.280 384 C C 2.589 177.200 174.990 -0.631 0.000 1.353 384 C CA 0.790 59.366 59.018 -0.737 0.000 1.766 384 C CB -1.013 25.919 27.740 -1.346 0.000 1.924 384 C HN 0.531 nan 8.230 nan 0.000 0.509 385 M N -0.233 119.227 119.600 -0.232 0.000 2.556 385 M HA 0.058 4.543 4.480 0.007 0.000 0.245 385 M C 0.349 176.642 176.300 -0.011 0.000 1.128 385 M CA 0.795 56.112 55.300 0.029 0.000 1.069 385 M CB -0.330 32.380 32.600 0.182 0.000 1.469 385 M HN 0.263 nan 8.290 nan 0.000 0.494 386 D N 1.650 121.998 120.400 -0.087 0.000 2.760 386 D HA -0.141 4.504 4.640 0.007 0.000 0.244 386 D C -1.213 175.064 176.300 -0.038 0.000 1.123 386 D CA 0.347 54.300 54.000 -0.079 0.000 0.719 386 D CB -0.749 40.011 40.800 -0.067 0.000 1.045 386 D HN 0.274 nan 8.370 nan 0.000 0.426 387 L N 0.279 121.478 121.223 -0.039 0.000 2.334 387 L HA 0.444 4.788 4.340 0.007 0.000 0.272 387 L C 0.738 177.551 176.870 -0.095 0.000 1.020 387 L CA -1.105 53.737 54.840 0.003 0.000 0.812 387 L CB 1.162 43.290 42.059 0.116 0.000 1.264 387 L HN 0.033 nan 8.230 nan 0.000 0.439 388 D N 1.028 121.396 120.400 -0.053 0.000 2.398 388 D HA -0.014 4.630 4.640 0.007 0.000 0.250 388 D C 1.113 177.223 176.300 -0.318 0.000 1.287 388 D CA -0.019 53.911 54.000 -0.117 0.000 0.992 388 D CB 0.745 41.536 40.800 -0.014 0.000 1.071 388 D HN 0.628 nan 8.370 nan 0.000 0.514 389 T N 0.741 114.912 114.554 -0.639 0.000 3.148 389 T HA 0.065 4.419 4.350 0.007 0.000 0.253 389 T C 1.475 175.786 174.700 -0.648 0.000 1.134 389 T CA 0.108 61.376 62.100 -1.388 0.000 1.051 389 T CB 0.110 68.150 68.868 -1.381 0.000 0.959 389 T HN 0.164 nan 8.240 nan 0.000 0.525 390 R N 0.575 120.914 120.500 -0.269 0.000 2.254 390 R HA 0.272 4.617 4.340 0.007 0.000 0.195 390 R C 0.871 177.200 176.300 0.048 0.000 0.957 390 R CA 0.347 56.398 56.100 -0.082 0.000 1.024 390 R CB 0.313 30.570 30.300 -0.072 0.000 0.952 390 R HN 0.340 nan 8.270 nan 0.000 0.484 391 T N -1.045 113.580 114.554 0.118 0.000 2.881 391 T HA 0.149 4.504 4.350 0.007 0.000 0.290 391 T C 1.167 176.049 174.700 0.303 0.000 1.000 391 T CA -0.529 61.674 62.100 0.172 0.000 0.978 391 T CB 1.515 70.445 68.868 0.104 0.000 0.997 391 T HN 0.262 nan 8.240 nan 0.000 0.443 392 T N 1.220 115.903 114.554 0.216 0.000 2.821 392 T HA -0.115 4.239 4.350 0.007 0.000 0.267 392 T C 2.110 176.856 174.700 0.077 0.000 1.046 392 T CA 1.646 63.825 62.100 0.132 0.000 1.139 392 T CB -0.734 68.164 68.868 0.050 0.000 0.871 392 T HN 0.688 nan 8.240 nan 0.000 0.454 393 S N 2.064 117.812 115.700 0.080 0.000 2.584 393 S HA -0.067 4.408 4.470 0.007 0.000 0.240 393 S C 2.060 176.704 174.600 0.073 0.000 0.975 393 S CA 0.839 59.072 58.200 0.056 0.000 0.949 393 S CB -0.937 62.291 63.200 0.046 0.000 0.761 393 S HN 0.794 nan 8.310 nan 0.000 0.536 394 S N 1.496 117.275 115.700 0.132 0.000 2.501 394 S HA 0.256 4.730 4.470 0.007 0.000 0.220 394 S C 0.939 175.618 174.600 0.131 0.000 0.997 394 S CA 0.184 58.475 58.200 0.151 0.000 0.919 394 S CB -0.889 62.445 63.200 0.222 0.000 0.778 394 S HN 0.630 nan 8.310 nan 0.000 0.523 395 L N 1.038 122.300 121.223 0.065 0.000 3.717 395 L HA -0.160 4.184 4.340 0.007 0.000 0.411 395 L C 1.540 178.410 176.870 0.001 0.000 1.233 395 L CA 0.607 55.426 54.840 -0.035 0.000 0.917 395 L CB -2.481 39.572 42.059 -0.009 0.000 1.902 395 L HN 0.723 nan 8.230 nan 0.000 0.894 396 W N -0.018 121.293 121.300 0.018 0.000 2.374 396 W HA -0.113 4.551 4.660 0.007 0.000 0.288 396 W C 1.669 178.206 176.519 0.029 0.000 1.218 396 W CA 1.279 58.638 57.345 0.024 0.000 1.245 396 W CB -0.693 28.777 29.460 0.018 0.000 1.126 396 W HN 0.297 nan 8.180 nan 0.000 0.545 397 K N 1.020 121.058 120.400 -0.603 0.000 2.097 397 K HA -0.127 4.197 4.320 0.007 0.000 0.205 397 K C 1.462 177.943 176.600 -0.199 0.000 1.050 397 K CA 2.122 58.092 56.287 -0.528 0.000 0.938 397 K CB -0.296 31.732 32.500 -0.787 0.000 0.718 397 K HN 0.079 nan 8.250 nan 0.000 0.442 398 D N 0.840 121.141 120.400 -0.165 0.000 2.117 398 D HA -0.101 4.543 4.640 0.007 0.000 0.198 398 D C 1.706 178.001 176.300 -0.009 0.000 0.982 398 D CA 1.123 55.075 54.000 -0.081 0.000 0.828 398 D CB 0.076 40.834 40.800 -0.071 0.000 0.967 398 D HN 0.103 nan 8.370 nan 0.000 0.464 399 K N 0.616 121.037 120.400 0.034 0.000 2.057 399 K HA -0.021 4.303 4.320 0.007 0.000 0.207 399 K C 2.200 178.869 176.600 0.115 0.000 1.049 399 K CA 1.150 57.487 56.287 0.083 0.000 0.931 399 K CB -0.146 32.423 32.500 0.114 0.000 0.714 399 K HN 0.077 nan 8.250 nan 0.000 0.440 400 A N 1.647 124.556 122.820 0.148 0.000 1.898 400 A HA -0.073 4.251 4.320 0.007 0.000 0.216 400 A C 2.415 180.091 177.584 0.152 0.000 1.181 400 A CA 1.706 53.859 52.037 0.194 0.000 0.620 400 A CB -0.713 18.435 19.000 0.247 0.000 0.819 400 A HN 0.318 nan 8.150 nan 0.000 0.442 401 A N -0.490 122.380 122.820 0.083 0.000 1.940 401 A HA -0.047 4.277 4.320 0.007 0.000 0.219 401 A C 2.234 179.836 177.584 0.030 0.000 1.176 401 A CA 1.902 53.961 52.037 0.037 0.000 0.631 401 A CB -0.957 18.027 19.000 -0.027 0.000 0.814 401 A HN 0.390 nan 8.150 nan 0.000 0.446 402 V N 0.336 120.273 119.914 0.039 0.000 2.295 402 V HA -0.208 3.917 4.120 0.007 0.000 0.246 402 V C 2.513 178.646 176.094 0.065 0.000 1.049 402 V CA 2.135 64.460 62.300 0.043 0.000 1.024 402 V CB -0.676 31.179 31.823 0.053 0.000 0.648 402 V HN 0.544 nan 8.190 nan 0.000 0.447 403 E N -0.238 120.029 120.200 0.111 0.000 2.204 403 E HA -0.093 4.262 4.350 0.007 0.000 0.194 403 E C 2.128 178.787 176.600 0.098 0.000 0.989 403 E CA 1.015 57.516 56.400 0.168 0.000 0.824 403 E CB -0.182 29.604 29.700 0.143 0.000 0.756 403 E HN 0.578 nan 8.360 nan 0.000 0.477 404 I N 1.497 122.138 120.570 0.117 0.000 2.252 404 I HA -0.227 3.948 4.170 0.007 0.000 0.245 404 I C 2.148 178.244 176.117 -0.035 0.000 1.102 404 I CA 0.743 62.108 61.300 0.108 0.000 1.385 404 I CB -0.266 37.855 38.000 0.202 0.000 1.064 404 I HN 0.070 nan 8.210 nan 0.000 0.414 405 N N 0.739 119.417 118.700 -0.038 0.000 2.166 405 N HA -0.174 4.570 4.740 0.007 0.000 0.186 405 N C 1.893 177.348 175.510 -0.092 0.000 1.019 405 N CA 1.136 54.139 53.050 -0.078 0.000 0.856 405 N CB -0.092 38.359 38.487 -0.060 0.000 0.993 405 N HN 0.198 nan 8.380 nan 0.000 0.426 406 L N 1.419 122.586 121.223 -0.092 0.000 2.141 406 L HA 0.004 4.349 4.340 0.007 0.000 0.209 406 L C 2.184 178.902 176.870 -0.254 0.000 1.094 406 L CA 1.163 55.912 54.840 -0.153 0.000 0.763 406 L CB -0.591 41.366 42.059 -0.170 0.000 0.908 406 L HN 0.024 nan 8.230 nan 0.000 0.437 407 A N -1.361 121.262 122.820 -0.328 0.000 1.930 407 A HA -0.089 4.236 4.320 0.007 0.000 0.217 407 A C 2.210 179.702 177.584 -0.153 0.000 1.175 407 A CA 1.684 53.467 52.037 -0.423 0.000 0.627 407 A CB -0.868 17.568 19.000 -0.940 0.000 0.815 407 A HN 0.273 nan 8.150 nan 0.000 0.443 408 V N 0.113 119.960 119.914 -0.112 0.000 2.307 408 V HA -0.242 3.883 4.120 0.007 0.000 0.245 408 V C 2.555 178.650 176.094 0.002 0.000 1.045 408 V CA 1.865 64.143 62.300 -0.036 0.000 1.024 408 V CB -0.821 30.886 31.823 -0.192 0.000 0.651 408 V HN 0.558 nan 8.190 nan 0.000 0.449 409 L N -0.373 120.810 121.223 -0.067 0.000 2.012 409 L HA -0.250 4.095 4.340 0.007 0.000 0.210 409 L C 2.651 179.545 176.870 0.039 0.000 1.073 409 L CA 2.364 57.183 54.840 -0.034 0.000 0.748 409 L CB -0.789 41.242 42.059 -0.047 0.000 0.891 409 L HN 0.492 nan 8.230 nan 0.000 0.431 410 H N -0.573 118.447 119.070 -0.083 0.000 2.353 410 H HA -0.135 4.425 4.556 0.008 0.000 0.300 410 H C 2.339 177.652 175.328 -0.025 0.000 1.090 410 H CA 1.897 57.892 56.048 -0.089 0.000 1.327 410 H CB 0.119 29.764 29.762 -0.196 0.000 1.383 410 H HN 0.154 nan 8.280 nan 0.000 0.508 411 S N -0.424 115.292 115.700 0.027 0.000 2.368 411 S HA -0.094 4.380 4.470 0.007 0.000 0.224 411 S C 1.753 176.351 174.600 -0.004 0.000 1.029 411 S CA 1.164 59.366 58.200 0.004 0.000 0.988 411 S CB -0.334 62.936 63.200 0.118 0.000 0.838 411 S HN 0.333 nan 8.310 nan 0.000 0.462 412 F N 1.949 121.845 119.950 -0.090 0.000 2.206 412 F HA 0.002 4.533 4.527 0.007 0.000 0.298 412 F C 2.604 178.347 175.800 -0.094 0.000 1.090 412 F CA 0.804 58.768 58.000 -0.060 0.000 1.323 412 F CB -0.571 38.416 39.000 -0.022 0.000 1.028 412 F HN 0.195 nan 8.300 nan 0.000 0.492 413 Q N -0.524 119.312 119.800 0.060 0.000 2.167 413 Q HA -0.169 4.175 4.340 0.007 0.000 0.202 413 Q C 2.174 178.105 176.000 -0.116 0.000 0.970 413 Q CA 1.170 56.951 55.803 -0.037 0.000 0.855 413 Q CB -0.334 28.371 28.738 -0.056 0.000 0.911 413 Q HN 0.371 nan 8.270 nan 0.000 0.438 414 L N 0.195 121.292 121.223 -0.209 0.000 2.072 414 L HA 0.019 4.363 4.340 0.007 0.000 0.205 414 L C 1.879 178.659 176.870 -0.150 0.000 1.079 414 L CA 1.452 56.151 54.840 -0.233 0.000 0.752 414 L CB -0.303 41.527 42.059 -0.381 0.000 0.906 414 L HN 0.065 nan 8.230 nan 0.000 0.436 415 A N -1.148 121.582 122.820 -0.149 0.000 2.252 415 A HA 0.019 4.343 4.320 0.007 0.000 0.207 415 A C 0.807 178.322 177.584 -0.116 0.000 1.194 415 A CA 0.065 52.018 52.037 -0.141 0.000 0.809 415 A CB -0.470 18.409 19.000 -0.202 0.000 0.814 415 A HN 0.408 nan 8.150 nan 0.000 0.482 416 K N -1.265 119.080 120.400 -0.092 0.000 3.016 416 K HA -0.147 4.178 4.320 0.007 0.000 0.262 416 K C -0.301 176.261 176.600 -0.063 0.000 1.043 416 K CA 0.905 57.149 56.287 -0.071 0.000 0.761 416 K CB -2.650 29.809 32.500 -0.068 0.000 1.230 416 K HN 0.348 nan 8.250 nan 0.000 0.485 417 V N 0.781 120.665 119.914 -0.050 0.000 2.713 417 V HA 0.234 4.358 4.120 0.007 0.000 0.307 417 V C 0.969 177.122 176.094 0.098 0.000 1.052 417 V CA -0.635 61.663 62.300 -0.003 0.000 0.967 417 V CB 1.999 33.766 31.823 -0.093 0.000 1.019 417 V HN 0.177 nan 8.190 nan 0.000 0.459 418 T N 5.271 119.862 114.554 0.061 0.000 2.851 418 T HA 0.606 4.961 4.350 0.007 0.000 0.298 418 T C -0.324 174.437 174.700 0.101 0.000 0.977 418 T CA 0.379 62.438 62.100 -0.069 0.000 1.126 418 T CB 0.285 68.921 68.868 -0.388 0.000 0.916 418 T HN 0.542 nan 8.240 nan 0.000 0.529 419 I N 2.189 122.763 120.570 0.007 0.000 2.947 419 I HA 0.592 4.766 4.170 0.007 0.000 0.301 419 I C -1.712 174.450 176.117 0.075 0.000 1.453 419 I CA -0.919 60.434 61.300 0.089 0.000 0.984 419 I CB 1.994 39.955 38.000 -0.065 0.000 1.333 419 I HN 0.425 nan 8.210 nan 0.000 0.475 420 V N 4.974 124.986 119.914 0.163 0.000 2.686 420 V HA 0.450 4.574 4.120 0.007 0.000 0.306 420 V C -1.146 174.984 176.094 0.061 0.000 1.065 420 V CA -0.325 62.059 62.300 0.140 0.000 0.894 420 V CB 2.187 34.177 31.823 0.279 0.000 1.004 420 V HN 0.870 nan 8.190 nan 0.000 0.424 421 D N 4.159 124.560 120.400 0.002 0.000 2.377 421 D HA 0.150 4.794 4.640 0.007 0.000 0.245 421 D C 1.313 177.550 176.300 -0.106 0.000 1.196 421 D CA 0.327 54.283 54.000 -0.073 0.000 0.962 421 D CB 0.369 41.075 40.800 -0.158 0.000 1.127 421 D HN 0.733 nan 8.370 nan 0.000 0.471 422 H N -0.782 118.176 119.070 -0.187 0.000 2.491 422 H HA -0.114 4.446 4.556 0.007 0.000 0.290 422 H C 0.908 176.133 175.328 -0.171 0.000 1.050 422 H CA 1.166 57.090 56.048 -0.207 0.000 1.309 422 H CB -0.451 29.146 29.762 -0.276 0.000 1.392 422 H HN 0.473 nan 8.280 nan 0.000 0.554 423 H N 1.488 120.355 119.070 -0.339 0.000 2.268 423 H HA 0.156 4.716 4.556 0.007 0.000 0.304 423 H C 2.625 177.932 175.328 -0.035 0.000 1.064 423 H CA 1.423 57.379 56.048 -0.153 0.000 1.316 423 H CB -0.623 29.020 29.762 -0.198 0.000 1.386 423 H HN 0.471 nan 8.280 nan 0.000 0.496 424 A N 1.527 124.405 122.820 0.096 0.000 1.908 424 A HA -0.166 4.158 4.320 0.007 0.000 0.218 424 A C 2.688 180.339 177.584 0.111 0.000 1.181 424 A CA 2.145 54.238 52.037 0.093 0.000 0.627 424 A CB -0.959 18.085 19.000 0.074 0.000 0.818 424 A HN 0.465 nan 8.150 nan 0.000 0.445 425 A N -0.317 122.560 122.820 0.096 0.000 1.883 425 A HA -0.141 4.183 4.320 0.007 0.000 0.217 425 A C 2.485 180.157 177.584 0.146 0.000 1.186 425 A CA 2.781 54.889 52.037 0.118 0.000 0.624 425 A CB -1.447 17.603 19.000 0.084 0.000 0.822 425 A HN 0.800 nan 8.150 nan 0.000 0.444 426 T N -2.762 111.871 114.554 0.131 0.000 2.857 426 T HA -0.064 4.291 4.350 0.007 0.000 0.266 426 T C 1.699 176.538 174.700 0.232 0.000 1.048 426 T CA 1.309 63.514 62.100 0.176 0.000 1.139 426 T CB -0.805 68.139 68.868 0.128 0.000 0.874 426 T HN 0.058 nan 8.240 nan 0.000 0.455 427 V N 2.996 123.019 119.914 0.181 0.000 2.332 427 V HA -0.186 3.938 4.120 0.007 0.000 0.248 427 V C 3.196 179.386 176.094 0.161 0.000 1.055 427 V CA 2.190 64.585 62.300 0.159 0.000 1.038 427 V CB -1.039 30.858 31.823 0.123 0.000 0.651 427 V HN 0.815 nan 8.190 nan 0.000 0.450 428 S N -0.708 115.096 115.700 0.174 0.000 2.453 428 S HA -0.132 4.342 4.470 0.007 0.000 0.231 428 S C 1.857 176.588 174.600 0.218 0.000 1.005 428 S CA 1.083 59.385 58.200 0.170 0.000 0.949 428 S CB -0.587 62.711 63.200 0.164 0.000 0.774 428 S HN 0.530 nan 8.310 nan 0.000 0.510 429 F N 1.909 121.925 119.950 0.110 0.000 2.293 429 F HA 0.242 4.773 4.527 0.007 0.000 0.297 429 F C 2.126 178.021 175.800 0.159 0.000 1.089 429 F CA 0.765 58.848 58.000 0.138 0.000 1.377 429 F CB -0.245 38.815 39.000 0.100 0.000 1.051 429 F HN 0.091 nan 8.300 nan 0.000 0.511 430 M N 0.155 119.842 119.600 0.145 0.000 2.132 430 M HA -0.157 4.328 4.480 0.007 0.000 0.263 430 M C 2.218 178.501 176.300 -0.027 0.000 1.065 430 M CA 1.443 56.771 55.300 0.047 0.000 1.122 430 M CB -1.191 31.481 32.600 0.120 0.000 1.365 430 M HN 0.044 nan 8.290 nan 0.000 0.411 431 K N -0.264 120.152 120.400 0.027 0.000 2.097 431 K HA -0.208 4.116 4.320 0.007 0.000 0.206 431 K C 1.956 178.550 176.600 -0.009 0.000 1.049 431 K CA 1.705 58.004 56.287 0.020 0.000 0.933 431 K CB -0.622 31.913 32.500 0.057 0.000 0.717 431 K HN 0.400 nan 8.250 nan 0.000 0.442 432 H N -0.134 118.857 119.070 -0.133 0.000 2.389 432 H HA 0.030 4.591 4.556 0.007 0.000 0.299 432 H C 1.663 176.827 175.328 -0.273 0.000 1.081 432 H CA 1.936 57.873 56.048 -0.184 0.000 1.345 432 H CB -0.111 29.510 29.762 -0.236 0.000 1.393 432 H HN 0.173 nan 8.280 nan 0.000 0.520 433 L N 0.059 121.001 121.223 -0.467 0.000 2.083 433 L HA -0.160 4.185 4.340 0.007 0.000 0.209 433 L C 1.922 178.633 176.870 -0.265 0.000 1.083 433 L CA 1.413 55.989 54.840 -0.440 0.000 0.752 433 L CB -0.296 41.565 42.059 -0.331 0.000 0.899 433 L HN 0.388 nan 8.230 nan 0.000 0.433 434 D N -0.232 120.065 120.400 -0.172 0.000 2.117 434 D HA -0.143 4.501 4.640 0.007 0.000 0.198 434 D C 1.869 178.099 176.300 -0.116 0.000 0.982 434 D CA 0.977 54.912 54.000 -0.107 0.000 0.828 434 D CB -0.380 40.385 40.800 -0.058 0.000 0.967 434 D HN 0.280 nan 8.370 nan 0.000 0.464 435 N N 1.164 119.786 118.700 -0.129 0.000 2.069 435 N HA -0.134 4.611 4.740 0.007 0.000 0.191 435 N C 1.622 177.045 175.510 -0.145 0.000 1.031 435 N CA 0.840 53.832 53.050 -0.098 0.000 0.852 435 N CB -0.233 38.227 38.487 -0.045 0.000 1.018 435 N HN 0.231 nan 8.380 nan 0.000 0.423 436 E N 0.476 120.506 120.200 -0.282 0.000 2.208 436 E HA -0.127 4.228 4.350 0.007 0.000 0.193 436 E C 1.844 178.331 176.600 -0.188 0.000 0.988 436 E CA 0.452 56.676 56.400 -0.293 0.000 0.828 436 E CB -0.058 29.345 29.700 -0.494 0.000 0.763 436 E HN 0.338 nan 8.360 nan 0.000 0.478 437 Q N 1.599 121.303 119.800 -0.160 0.000 2.020 437 Q HA -0.118 4.226 4.340 0.007 0.000 0.202 437 Q C 1.823 177.773 176.000 -0.083 0.000 0.982 437 Q CA 1.755 57.496 55.803 -0.104 0.000 0.838 437 Q CB -0.001 28.688 28.738 -0.082 0.000 0.899 437 Q HN 0.126 nan 8.270 nan 0.000 0.423 438 K N -0.330 120.025 120.400 -0.075 0.000 2.026 438 K HA -0.094 4.231 4.320 0.007 0.000 0.208 438 K C 2.087 178.653 176.600 -0.057 0.000 1.048 438 K CA 1.223 57.476 56.287 -0.056 0.000 0.929 438 K CB -0.354 32.120 32.500 -0.043 0.000 0.713 438 K HN 0.257 nan 8.250 nan 0.000 0.439 439 A N 1.727 124.508 122.820 -0.064 0.000 1.835 439 A HA -0.139 4.185 4.320 0.007 0.000 0.215 439 A C 1.927 179.470 177.584 -0.069 0.000 1.199 439 A CA 1.461 53.465 52.037 -0.056 0.000 0.615 439 A CB -0.245 18.724 19.000 -0.051 0.000 0.838 439 A HN 0.217 nan 8.150 nan 0.000 0.444 440 R N -2.013 118.431 120.500 -0.093 0.000 2.437 440 R HA 0.295 4.639 4.340 0.007 0.000 0.257 440 R C 0.744 176.990 176.300 -0.089 0.000 0.927 440 R CA 0.508 56.556 56.100 -0.088 0.000 1.078 440 R CB 0.504 30.745 30.300 -0.098 0.000 1.161 440 R HN 0.783 nan 8.270 nan 0.000 0.529 441 G N 1.073 109.817 108.800 -0.093 0.000 2.248 441 G HA2 -0.115 3.849 3.960 0.007 0.000 0.263 441 G HA3 -0.115 3.849 3.960 0.007 0.000 0.263 441 G C 0.205 175.059 174.900 -0.076 0.000 1.082 441 G CA 0.004 45.045 45.100 -0.099 0.000 0.863 441 G HN 0.731 nan 8.290 nan 0.000 0.495 442 G N -2.325 106.440 108.800 -0.060 0.000 2.369 442 G HA2 0.521 4.486 3.960 0.007 0.000 0.307 442 G HA3 0.521 4.486 3.960 0.007 0.000 0.307 442 G C -0.519 174.370 174.900 -0.018 0.000 1.327 442 G CA 0.500 45.596 45.100 -0.006 0.000 0.963 442 G HN 2.181 nan 8.290 nan 0.000 0.590 443 C N 1.982 121.302 119.300 0.034 0.000 2.833 443 C HA 0.678 5.142 4.460 0.007 0.000 0.383 443 C C -2.539 172.432 174.990 -0.033 0.000 1.058 443 C CA -1.027 57.968 59.018 -0.040 0.000 1.259 443 C CB 1.179 28.820 27.740 -0.164 0.000 1.726 443 C HN 0.774 nan 8.230 nan 0.000 0.484 444 P HA 0.370 nan 4.420 nan 0.000 0.266 444 P C -0.517 176.665 177.300 -0.197 0.000 1.215 444 P CA 0.722 63.439 63.100 -0.638 0.000 0.763 444 P CB 0.894 31.934 31.700 -1.100 0.000 0.806 445 A N 3.011 125.795 122.820 -0.059 0.000 2.449 445 A HA 0.416 4.741 4.320 0.007 0.000 0.302 445 A C -0.845 176.787 177.584 0.080 0.000 1.048 445 A CA -0.595 51.493 52.037 0.084 0.000 0.708 445 A CB 1.340 20.508 19.000 0.279 0.000 1.274 445 A HN 0.456 nan 8.150 nan 0.000 0.410 446 D N 1.954 122.386 120.400 0.053 0.000 2.467 446 D HA 0.110 4.754 4.640 0.007 0.000 0.220 446 D C 0.744 177.169 176.300 0.208 0.000 1.103 446 D CA -0.440 53.627 54.000 0.112 0.000 0.886 446 D CB 0.388 41.178 40.800 -0.017 0.000 1.025 446 D HN 0.623 nan 8.370 nan 0.000 0.514 447 W N 4.191 125.543 121.300 0.087 0.000 2.290 447 W HA -0.345 4.320 4.660 0.008 0.000 0.318 447 W C 2.031 178.602 176.519 0.086 0.000 1.248 447 W CA 2.594 59.979 57.345 0.067 0.000 1.263 447 W CB -0.043 29.433 29.460 0.027 0.000 1.147 447 W HN 0.562 nan 8.180 nan 0.000 0.494 448 A N -1.293 121.775 122.820 0.414 0.000 1.978 448 A HA -0.212 4.113 4.320 0.007 0.000 0.220 448 A C 1.500 179.120 177.584 0.059 0.000 1.170 448 A CA 1.708 53.897 52.037 0.254 0.000 0.636 448 A CB -1.365 17.818 19.000 0.305 0.000 0.810 448 A HN 0.536 nan 8.150 nan 0.000 0.448 449 W N -0.967 120.292 121.300 -0.068 0.000 2.942 449 W HA 0.200 4.864 4.660 0.007 0.000 0.263 449 W C 1.718 178.116 176.519 -0.201 0.000 1.296 449 W CA -0.193 57.092 57.345 -0.101 0.000 1.504 449 W CB -0.023 29.407 29.460 -0.050 0.000 1.096 449 W HN 0.148 nan 8.180 nan 0.000 0.639 450 I N -0.251 120.273 120.570 -0.077 0.000 2.406 450 I HA -0.042 4.132 4.170 0.007 0.000 0.249 450 I C 0.714 176.628 176.117 -0.338 0.000 1.122 450 I CA 0.680 61.802 61.300 -0.297 0.000 1.431 450 I CB -1.388 36.367 38.000 -0.408 0.000 1.087 450 I HN -0.401 nan 8.210 nan 0.000 0.424 451 V N 3.578 123.218 119.914 -0.458 0.000 2.555 451 V HA 0.138 4.263 4.120 0.007 0.000 0.286 451 V C -2.001 173.941 176.094 -0.253 0.000 1.044 451 V CA -1.229 60.820 62.300 -0.419 0.000 1.026 451 V CB 0.219 31.629 31.823 -0.688 0.000 0.981 451 V HN 0.110 nan 8.190 nan 0.000 0.480 452 P HA 0.134 nan 4.420 nan 0.000 0.269 452 P C -1.788 175.388 177.300 -0.208 0.000 1.215 452 P CA -1.129 61.858 63.100 -0.188 0.000 0.780 452 P CB 0.082 31.670 31.700 -0.186 0.000 0.898 453 P HA -0.037 nan 4.420 nan 0.000 0.231 453 P C 0.139 177.320 177.300 -0.198 0.000 1.158 453 P CA 1.190 64.173 63.100 -0.196 0.000 0.763 453 P CB -0.058 31.526 31.700 -0.194 0.000 0.805 454 I N -7.254 113.158 120.570 -0.264 0.000 2.969 454 I HA 0.446 4.620 4.170 0.007 0.000 0.307 454 I C 0.072 176.042 176.117 -0.246 0.000 1.149 454 I CA -1.317 59.836 61.300 -0.245 0.000 1.008 454 I CB 1.813 39.645 38.000 -0.280 0.000 1.232 454 I HN -0.433 nan 8.210 nan 0.000 0.435 455 S N 1.729 117.340 115.700 -0.148 0.000 3.477 455 S HA -0.213 4.261 4.470 0.007 0.000 0.357 455 S C 1.401 175.950 174.600 -0.084 0.000 1.083 455 S CA 0.873 59.031 58.200 -0.070 0.000 1.042 455 S CB -1.789 61.443 63.200 0.053 0.000 0.911 455 S HN 1.306 nan 8.310 nan 0.000 0.490 456 G N 2.484 111.198 108.800 -0.143 0.000 2.764 456 G HA2 -0.378 3.586 3.960 0.007 0.000 0.219 456 G HA3 -0.378 3.586 3.960 0.007 0.000 0.219 456 G C 1.459 176.162 174.900 -0.328 0.000 1.259 456 G CA 1.802 46.807 45.100 -0.159 0.000 0.793 456 G HN 1.354 nan 8.290 nan 0.000 0.633 457 S N -0.044 115.148 115.700 -0.847 0.000 2.547 457 S HA 0.095 4.569 4.470 0.007 0.000 0.235 457 S C 1.996 176.507 174.600 -0.148 0.000 0.980 457 S CA 0.941 58.556 58.200 -0.974 0.000 0.941 457 S CB -0.049 62.487 63.200 -1.107 0.000 0.763 457 S HN 0.092 nan 8.310 nan 0.000 0.532 458 L N 2.294 123.487 121.223 -0.050 0.000 2.492 458 L HA 0.213 4.557 4.340 0.007 0.000 0.223 458 L C 1.405 178.392 176.870 0.195 0.000 1.132 458 L CA 0.825 55.727 54.840 0.103 0.000 0.850 458 L CB -0.897 41.241 42.059 0.132 0.000 0.966 458 L HN 0.595 nan 8.230 nan 0.000 0.454 459 T N -4.062 110.607 114.554 0.191 0.000 2.902 459 T HA 0.318 4.673 4.350 0.007 0.000 0.283 459 T C -1.569 173.292 174.700 0.268 0.000 1.009 459 T CA -1.945 60.296 62.100 0.235 0.000 1.051 459 T CB 1.699 70.680 68.868 0.187 0.000 0.999 459 T HN -0.119 nan 8.240 nan 0.000 0.474 460 P HA -0.136 nan 4.420 nan 0.000 0.218 460 P C 1.815 179.319 177.300 0.340 0.000 1.148 460 P CA 1.295 64.598 63.100 0.339 0.000 0.822 460 P CB -0.341 31.504 31.700 0.242 0.000 0.784 461 V N -3.835 116.227 119.914 0.247 0.000 2.594 461 V HA -0.200 3.924 4.120 0.007 0.000 0.253 461 V C 2.374 178.577 176.094 0.181 0.000 1.069 461 V CA 1.233 63.654 62.300 0.202 0.000 1.082 461 V CB -2.220 29.650 31.823 0.077 0.000 0.680 461 V HN -0.121 nan 8.190 nan 0.000 0.469 462 F N 2.205 122.132 119.950 -0.038 0.000 2.095 462 F HA -0.190 4.341 4.527 0.007 0.000 0.298 462 F C 2.495 178.424 175.800 0.214 0.000 1.104 462 F CA 2.357 60.355 58.000 -0.004 0.000 1.232 462 F CB -0.348 38.483 39.000 -0.282 0.000 0.987 462 F HN 0.306 nan 8.300 nan 0.000 0.475 463 H N -0.859 118.527 119.070 0.526 0.000 2.543 463 H HA 0.089 4.649 4.556 0.007 0.000 0.269 463 H C 0.244 175.810 175.328 0.398 0.000 1.005 463 H CA 0.279 56.583 56.048 0.427 0.000 1.146 463 H CB -0.396 29.611 29.762 0.410 0.000 1.353 463 H HN 0.264 nan 8.280 nan 0.000 0.595 464 Q N 2.031 122.105 119.800 0.457 0.000 2.347 464 Q HA 0.166 4.510 4.340 0.007 0.000 0.262 464 Q C -0.529 175.708 176.000 0.395 0.000 0.980 464 Q CA -0.469 55.562 55.803 0.381 0.000 0.867 464 Q CB 0.846 29.780 28.738 0.328 0.000 1.242 464 Q HN 0.258 nan 8.270 nan 0.000 0.453 465 E N 3.352 123.718 120.200 0.278 0.000 2.390 465 E HA 0.318 4.672 4.350 0.007 0.000 0.261 465 E C -0.459 176.272 176.600 0.218 0.000 1.076 465 E CA 0.175 56.685 56.400 0.183 0.000 0.905 465 E CB 0.864 30.649 29.700 0.141 0.000 0.984 465 E HN 0.595 nan 8.360 nan 0.000 0.427 466 M N 1.162 120.885 119.600 0.206 0.000 2.470 466 M HA 0.313 4.798 4.480 0.007 0.000 0.285 466 M C -1.292 175.116 176.300 0.179 0.000 1.213 466 M CA -0.893 54.544 55.300 0.229 0.000 0.901 466 M CB 2.460 35.262 32.600 0.337 0.000 1.718 466 M HN 0.157 nan 8.290 nan 0.000 0.469 467 V N 1.681 121.709 119.914 0.190 0.000 2.483 467 V HA 0.467 4.592 4.120 0.007 0.000 0.295 467 V C -0.516 175.705 176.094 0.211 0.000 1.035 467 V CA -0.684 61.755 62.300 0.232 0.000 0.896 467 V CB 1.647 33.654 31.823 0.307 0.000 0.986 467 V HN 0.891 nan 8.190 nan 0.000 0.447 468 N N 3.023 121.839 118.700 0.192 0.000 2.314 468 N HA 0.677 5.421 4.740 0.007 0.000 0.294 468 N C -1.779 173.816 175.510 0.141 0.000 1.029 468 N CA -0.400 52.668 53.050 0.030 0.000 0.845 468 N CB 2.067 40.579 38.487 0.042 0.000 1.321 468 N HN 0.738 nan 8.380 nan 0.000 0.481 469 Y N 0.772 121.089 120.300 0.028 0.000 2.656 469 Y HA 0.511 5.065 4.550 0.007 0.000 0.334 469 Y C -1.258 174.643 175.900 0.001 0.000 1.179 469 Y CA -1.163 56.948 58.100 0.018 0.000 1.050 469 Y CB 0.663 39.138 38.460 0.024 0.000 1.308 469 Y HN 0.190 nan 8.280 nan 0.000 0.456 470 I N 3.528 124.181 120.570 0.138 0.000 2.304 470 I HA 0.379 4.553 4.170 0.007 0.000 0.291 470 I C -0.709 175.465 176.117 0.095 0.000 1.018 470 I CA -0.324 61.006 61.300 0.051 0.000 1.260 470 I CB 0.692 38.712 38.000 0.034 0.000 1.390 470 I HN 0.409 nan 8.210 nan 0.000 0.475 471 L N 5.064 126.313 121.223 0.042 0.000 2.334 471 L HA 0.534 4.879 4.340 0.007 0.000 0.273 471 L C 0.092 176.960 176.870 -0.004 0.000 1.013 471 L CA -0.472 54.400 54.840 0.054 0.000 0.816 471 L CB 2.034 44.126 42.059 0.055 0.000 1.278 471 L HN 0.512 nan 8.230 nan 0.000 0.431 472 S N 1.763 117.471 115.700 0.014 0.000 2.503 472 S HA 0.623 5.098 4.470 0.007 0.000 0.301 472 S C -2.497 172.111 174.600 0.014 0.000 1.087 472 S CA -1.467 56.727 58.200 -0.010 0.000 1.042 472 S CB 1.756 64.967 63.200 0.018 0.000 1.043 472 S HN 0.239 nan 8.310 nan 0.000 0.489 473 P HA 0.424 nan 4.420 nan 0.000 0.270 473 P C -1.316 175.854 177.300 -0.217 0.000 1.227 473 P CA -0.089 62.905 63.100 -0.177 0.000 0.788 473 P CB 0.499 32.028 31.700 -0.285 0.000 0.926 474 A N 0.527 123.179 122.820 -0.280 0.000 2.601 474 A HA 0.636 4.960 4.320 0.007 0.000 0.291 474 A C -1.768 175.614 177.584 -0.336 0.000 1.075 474 A CA -0.435 51.438 52.037 -0.273 0.000 0.671 474 A CB 0.627 19.544 19.000 -0.138 0.000 1.277 474 A HN 0.263 nan 8.150 nan 0.000 0.417 475 F N 1.443 121.297 119.950 -0.161 0.000 2.385 475 F HA 0.585 5.115 4.527 0.006 0.000 0.360 475 F C 0.994 176.671 175.800 -0.206 0.000 1.122 475 F CA 0.142 58.043 58.000 -0.165 0.000 1.090 475 F CB 1.427 40.286 39.000 -0.234 0.000 1.150 475 F HN 0.528 nan 8.300 nan 0.000 0.472 476 R N 1.900 122.415 120.500 0.025 0.000 2.828 476 R HA 0.525 4.870 4.340 0.007 0.000 0.264 476 R C -1.250 175.022 176.300 -0.046 0.000 1.022 476 R CA -1.126 54.925 56.100 -0.083 0.000 1.021 476 R CB 1.318 31.605 30.300 -0.021 0.000 1.163 476 R HN 0.344 nan 8.270 nan 0.000 0.494 477 Y N 0.940 121.261 120.300 0.035 0.000 2.326 477 Y HA 0.190 4.744 4.550 0.007 0.000 0.324 477 Y C 0.468 176.368 175.900 0.001 0.000 1.291 477 Y CA -0.308 57.804 58.100 0.020 0.000 1.348 477 Y CB 0.995 39.458 38.460 0.005 0.000 1.294 477 Y HN 0.466 nan 8.280 nan 0.000 0.525 478 Q N 0.531 120.425 119.800 0.156 0.000 2.418 478 Q HA 0.609 4.954 4.340 0.007 0.000 0.282 478 Q C -3.167 172.796 176.000 -0.061 0.000 1.044 478 Q CA -2.471 53.352 55.803 0.034 0.000 0.813 478 Q CB 2.093 30.843 28.738 0.019 0.000 1.428 478 Q HN 0.245 nan 8.270 nan 0.000 0.402 479 P HA 0.045 nan 4.420 nan 0.000 0.268 479 P C -0.909 176.167 177.300 -0.373 0.000 1.208 479 P CA 0.001 62.970 63.100 -0.218 0.000 0.777 479 P CB 0.395 31.983 31.700 -0.186 0.000 0.875 480 D N 2.885 122.924 120.400 -0.602 0.000 2.389 480 D HA 0.014 4.659 4.640 0.007 0.000 0.247 480 D C -1.033 174.631 176.300 -1.060 0.000 1.128 480 D CA -1.038 52.283 54.000 -1.132 0.000 0.884 480 D CB 0.342 39.994 40.800 -1.913 0.000 1.194 480 D HN 0.293 nan 8.370 nan 0.000 0.441 481 P HA -0.093 nan 4.420 nan 0.000 0.225 481 P C 0.270 177.210 177.300 -0.599 0.000 1.148 481 P CA 0.842 63.506 63.100 -0.726 0.000 0.779 481 P CB 0.110 31.325 31.700 -0.809 0.000 0.780 482 W N 0.000 120.884 121.300 -0.694 0.000 2.388 482 W HA 0.000 4.664 4.660 0.007 0.000 0.303 482 W CA 0.000 57.116 57.345 -0.382 0.000 1.226 482 W CB 0.000 29.240 29.460 -0.367 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535