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 1dm6_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPRKLQTRPS DATA SEQUENCE PGPPPAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RNLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 67 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.966 3.960 0.009 0.000 0.244 67 G C 0.000 174.846 174.900 -0.090 0.000 0.946 67 G CA 0.000 45.078 45.100 -0.037 0.000 0.502 68 P HA 0.289 nan 4.420 nan 0.000 0.266 68 P C -0.342 176.944 177.300 -0.023 0.000 1.195 68 P CA 0.109 63.108 63.100 -0.168 0.000 0.768 68 P CB 0.527 31.908 31.700 -0.532 0.000 0.838 69 K N 2.678 123.010 120.400 -0.112 0.000 3.226 69 K HA 0.228 4.554 4.320 0.009 0.000 0.268 69 K C -0.570 175.648 176.600 -0.636 0.000 1.217 69 K CA 0.107 56.198 56.287 -0.327 0.000 1.242 69 K CB -0.444 31.816 32.500 -0.400 0.000 1.389 69 K HN 0.385 nan 8.250 nan 0.000 0.406 70 F N -0.176 119.803 119.950 0.049 0.000 2.629 70 F HA 0.329 4.862 4.527 0.010 0.000 0.316 70 F C -2.273 173.629 175.800 0.170 0.000 1.081 70 F CA -3.045 55.005 58.000 0.084 0.000 0.954 70 F CB 0.792 39.842 39.000 0.083 0.000 1.337 70 F HN -0.080 nan 8.300 nan 0.000 0.474 71 P HA 0.073 nan 4.420 nan 0.000 0.264 71 P C -0.850 176.541 177.300 0.152 0.000 1.193 71 P CA -0.095 63.116 63.100 0.185 0.000 0.763 71 P CB 0.488 32.270 31.700 0.136 0.000 0.810 72 R N 2.983 123.499 120.500 0.026 0.000 2.229 72 R HA 0.403 4.749 4.340 0.009 0.000 0.328 72 R C -1.196 174.989 176.300 -0.192 0.000 1.009 72 R CA -0.566 55.356 56.100 -0.297 0.000 0.864 72 R CB 0.500 30.662 30.300 -0.230 0.000 1.085 72 R HN 0.227 nan 8.270 nan 0.000 0.453 73 V N 5.156 124.925 119.914 -0.242 0.000 2.417 73 V HA 0.348 4.474 4.120 0.009 0.000 0.291 73 V C -0.178 175.826 176.094 -0.150 0.000 1.024 73 V CA -0.680 61.555 62.300 -0.109 0.000 0.861 73 V CB 1.460 33.260 31.823 -0.038 0.000 0.985 73 V HN 0.704 nan 8.190 nan 0.000 0.436 74 K N 3.849 124.179 120.400 -0.116 0.000 2.259 74 K HA 0.420 4.745 4.320 0.009 0.000 0.252 74 K C -0.624 175.873 176.600 -0.172 0.000 0.936 74 K CA -0.704 55.431 56.287 -0.253 0.000 0.810 74 K CB 1.445 33.627 32.500 -0.531 0.000 1.143 74 K HN 0.707 nan 8.250 nan 0.000 0.427 75 N N 4.172 122.765 118.700 -0.178 0.000 2.469 75 N HA 0.095 4.841 4.740 0.009 0.000 0.253 75 N C -0.276 175.192 175.510 -0.071 0.000 0.970 75 N CA -0.358 52.696 53.050 0.007 0.000 0.940 75 N CB 0.468 38.981 38.487 0.043 0.000 1.128 75 N HN 0.673 nan 8.380 nan 0.000 0.503 76 W N 2.128 123.511 121.300 0.138 0.000 2.595 76 W HA 0.100 4.766 4.660 0.009 0.000 0.257 76 W C 2.062 178.634 176.519 0.087 0.000 1.267 76 W CA -0.034 57.383 57.345 0.121 0.000 1.300 76 W CB 0.247 29.805 29.460 0.164 0.000 1.120 76 W HN 0.654 nan 8.180 nan 0.000 0.618 77 E N 0.486 120.830 120.200 0.241 0.000 2.051 77 E HA -0.116 4.239 4.350 0.009 0.000 0.189 77 E C 1.712 178.340 176.600 0.046 0.000 0.979 77 E CA 1.026 57.468 56.400 0.071 0.000 0.803 77 E CB -0.215 29.492 29.700 0.011 0.000 0.761 77 E HN 0.258 nan 8.360 nan 0.000 0.451 78 L N -0.911 120.337 121.223 0.042 0.000 2.554 78 L HA 0.306 4.651 4.340 0.009 0.000 0.225 78 L C 1.525 178.379 176.870 -0.026 0.000 1.104 78 L CA 0.393 55.238 54.840 0.009 0.000 0.866 78 L CB 0.576 42.643 42.059 0.012 0.000 1.047 78 L HN 0.413 nan 8.230 nan 0.000 0.468 79 G N 0.510 109.271 108.800 -0.064 0.000 2.189 79 G HA2 -0.331 3.634 3.960 0.009 0.000 0.267 79 G HA3 -0.331 3.634 3.960 0.009 0.000 0.267 79 G C 0.453 175.261 174.900 -0.154 0.000 0.975 79 G CA 0.509 45.526 45.100 -0.139 0.000 0.644 79 G HN 0.477 nan 8.290 nan 0.000 0.537 80 S N 0.063 115.695 115.700 -0.113 0.000 2.585 80 S HA 0.738 5.214 4.470 0.009 0.000 0.273 80 S C 0.209 174.721 174.600 -0.146 0.000 1.339 80 S CA -0.477 57.663 58.200 -0.100 0.000 1.028 80 S CB 1.893 65.058 63.200 -0.057 0.000 0.906 80 S HN 0.478 nan 8.310 nan 0.000 0.528 81 I N 1.897 122.387 120.570 -0.134 0.000 2.689 81 I HA 0.577 4.752 4.170 0.009 0.000 0.299 81 I C 0.200 176.215 176.117 -0.169 0.000 1.059 81 I CA -0.262 60.924 61.300 -0.190 0.000 1.055 81 I CB 1.942 39.818 38.000 -0.207 0.000 1.243 81 I HN 1.073 nan 8.210 nan 0.000 0.425 82 T N 1.466 115.870 114.554 -0.251 0.000 2.841 82 T HA 0.686 5.041 4.350 0.009 0.000 0.296 82 T C -1.418 173.064 174.700 -0.363 0.000 1.166 82 T CA -0.712 61.284 62.100 -0.173 0.000 1.007 82 T CB 1.984 70.808 68.868 -0.074 0.000 1.253 82 T HN 0.275 nan 8.240 nan 0.000 0.511 83 Y N 0.133 120.422 120.300 -0.018 0.000 2.376 83 Y HA 0.512 5.067 4.550 0.009 0.000 0.340 83 Y C -0.185 175.690 175.900 -0.042 0.000 0.965 83 Y CA -0.915 57.184 58.100 -0.002 0.000 1.078 83 Y CB 1.847 40.307 38.460 -0.000 0.000 1.193 83 Y HN 0.725 nan 8.280 nan 0.000 0.452 84 D N 1.868 122.346 120.400 0.129 0.000 2.347 84 D HA 0.114 4.760 4.640 0.009 0.000 0.235 84 D C 0.616 176.903 176.300 -0.022 0.000 1.149 84 D CA 0.050 54.084 54.000 0.057 0.000 0.850 84 D CB 1.351 42.219 40.800 0.114 0.000 1.061 84 D HN 0.793 nan 8.370 nan 0.000 0.487 85 T N 1.094 115.509 114.554 -0.232 0.000 3.014 85 T HA -0.040 4.315 4.350 0.009 0.000 0.250 85 T C 1.830 176.407 174.700 -0.204 0.000 1.060 85 T CA -0.238 61.556 62.100 -0.510 0.000 1.040 85 T CB 0.104 68.459 68.868 -0.855 0.000 0.971 85 T HN 0.251 nan 8.240 nan 0.000 0.497 86 L N 2.509 123.651 121.223 -0.135 0.000 2.191 86 L HA 0.057 4.402 4.340 0.009 0.000 0.212 86 L C 2.553 179.286 176.870 -0.228 0.000 1.103 86 L CA 1.143 55.932 54.840 -0.086 0.000 0.769 86 L CB -0.883 41.201 42.059 0.042 0.000 0.908 86 L HN 0.662 nan 8.230 nan 0.000 0.438 87 C N -1.783 117.200 119.300 -0.528 0.000 2.430 87 C HA 0.121 4.586 4.460 0.009 0.000 0.288 87 C C 2.755 177.520 174.990 -0.375 0.000 1.448 87 C CA 0.074 58.478 59.018 -1.024 0.000 1.784 87 C CB -2.255 24.849 27.740 -1.061 0.000 1.776 87 C HN 0.568 nan 8.230 nan 0.000 0.547 88 A N 0.184 122.927 122.820 -0.128 0.000 2.067 88 A HA -0.083 4.242 4.320 0.009 0.000 0.219 88 A C 2.279 179.853 177.584 -0.017 0.000 1.158 88 A CA 1.316 53.351 52.037 -0.002 0.000 0.661 88 A CB -0.413 18.671 19.000 0.140 0.000 0.801 88 A HN 0.665 nan 8.150 nan 0.000 0.452 89 Q N 0.082 119.861 119.800 -0.035 0.000 2.451 89 Q HA 0.062 4.408 4.340 0.009 0.000 0.206 89 Q C 0.809 176.825 176.000 0.027 0.000 0.947 89 Q CA 0.345 56.153 55.803 0.008 0.000 0.937 89 Q CB -0.387 28.365 28.738 0.024 0.000 1.025 89 Q HN 0.508 nan 8.270 nan 0.000 0.511 90 S N 1.099 116.804 115.700 0.008 0.000 2.525 90 S HA 0.004 4.480 4.470 0.009 0.000 0.285 90 S C 0.766 175.393 174.600 0.046 0.000 1.283 90 S CA 0.123 58.360 58.200 0.061 0.000 1.072 90 S CB 0.394 63.641 63.200 0.079 0.000 0.867 90 S HN 0.198 nan 8.310 nan 0.000 0.492 91 Q N 2.833 122.666 119.800 0.055 0.000 2.179 91 Q HA 0.225 4.570 4.340 0.009 0.000 0.213 91 Q C -0.184 175.841 176.000 0.040 0.000 0.833 91 Q CA -0.012 55.818 55.803 0.043 0.000 0.990 91 Q CB 0.728 29.494 28.738 0.047 0.000 1.132 91 Q HN 0.726 nan 8.270 nan 0.000 0.493 92 Q N 1.109 120.937 119.800 0.047 0.000 2.285 92 Q HA 0.183 4.528 4.340 0.009 0.000 0.269 92 Q C -1.446 174.581 176.000 0.046 0.000 1.030 92 Q CA -0.502 55.324 55.803 0.040 0.000 0.788 92 Q CB 1.678 30.436 28.738 0.034 0.000 1.266 92 Q HN 0.038 nan 8.270 nan 0.000 0.438 93 D N 2.142 122.564 120.400 0.037 0.000 2.372 93 D HA 0.223 4.869 4.640 0.009 0.000 0.243 93 D C 0.272 176.597 176.300 0.042 0.000 1.121 93 D CA 0.381 54.405 54.000 0.039 0.000 0.898 93 D CB 1.314 42.132 40.800 0.030 0.000 1.202 93 D HN 0.693 nan 8.370 nan 0.000 0.428 94 G N 0.724 109.554 108.800 0.049 0.000 2.543 94 G HA2 0.317 4.282 3.960 0.009 0.000 0.267 94 G HA3 0.317 4.282 3.960 0.009 0.000 0.267 94 G C -1.750 173.174 174.900 0.040 0.000 1.406 94 G CA -0.584 44.545 45.100 0.047 0.000 1.048 94 G HN 0.319 nan 8.290 nan 0.000 0.548 95 P HA 0.195 nan 4.420 nan 0.000 0.257 95 P C 0.204 177.525 177.300 0.036 0.000 1.241 95 P CA -0.075 63.047 63.100 0.037 0.000 0.816 95 P CB 0.247 31.971 31.700 0.040 0.000 1.150 96 C N 0.825 120.149 119.300 0.040 0.000 2.443 96 C HA 0.647 5.112 4.460 0.009 0.000 0.369 96 C C 1.023 176.030 174.990 0.029 0.000 1.241 96 C CA 0.203 59.242 59.018 0.035 0.000 2.413 96 C CB 0.891 28.655 27.740 0.041 0.000 2.451 96 C HN 0.351 nan 8.230 nan 0.000 0.595 97 T N -1.771 112.797 114.554 0.024 0.000 2.843 97 T HA 0.406 4.762 4.350 0.009 0.000 0.302 97 T C -2.508 172.201 174.700 0.015 0.000 1.232 97 T CA -1.111 61.000 62.100 0.018 0.000 1.009 97 T CB 1.354 70.231 68.868 0.015 0.000 1.254 97 T HN 0.263 nan 8.240 nan 0.000 0.504 98 P HA -0.019 nan 4.420 nan 0.000 0.220 98 P C 1.431 178.736 177.300 0.008 0.000 1.144 98 P CA 0.715 63.820 63.100 0.009 0.000 0.800 98 P CB 0.139 31.842 31.700 0.006 0.000 0.772 99 R N -0.311 120.193 120.500 0.008 0.000 2.093 99 R HA -0.020 4.326 4.340 0.009 0.000 0.224 99 R C 0.643 176.948 176.300 0.007 0.000 1.101 99 R CA 0.795 56.899 56.100 0.006 0.000 0.979 99 R CB 0.224 30.527 30.300 0.006 0.000 0.877 99 R HN 0.073 nan 8.270 nan 0.000 0.441 100 R N -0.325 120.181 120.500 0.010 0.000 2.629 100 R HA 0.149 4.494 4.340 0.009 0.000 0.266 100 R C -1.830 174.479 176.300 0.015 0.000 1.051 100 R CA -0.688 55.418 56.100 0.010 0.000 0.895 100 R CB 0.262 30.568 30.300 0.010 0.000 1.246 100 R HN 0.082 nan 8.270 nan 0.000 0.459 101 C N 3.909 123.218 119.300 0.014 0.000 2.347 101 C HA 0.536 5.002 4.460 0.009 0.000 0.353 101 C C 0.891 175.897 174.990 0.028 0.000 1.273 101 C CA -0.632 58.398 59.018 0.021 0.000 1.861 101 C CB -0.817 26.931 27.740 0.013 0.000 2.420 101 C HN 0.770 nan 8.230 nan 0.000 0.542 102 L N 5.730 126.975 121.223 0.037 0.000 3.066 102 L HA 0.275 4.620 4.340 0.009 0.000 0.265 102 L C 2.087 178.995 176.870 0.064 0.000 1.232 102 L CA 0.257 55.124 54.840 0.046 0.000 1.031 102 L CB -0.127 41.958 42.059 0.042 0.000 1.379 102 L HN 1.030 nan 8.230 nan 0.000 0.563 103 G N 0.442 109.282 108.800 0.067 0.000 2.462 103 G HA2 -0.289 3.677 3.960 0.009 0.000 0.220 103 G HA3 -0.289 3.677 3.960 0.009 0.000 0.220 103 G C 1.678 176.659 174.900 0.135 0.000 1.121 103 G CA 1.215 46.370 45.100 0.092 0.000 0.758 103 G HN 0.519 nan 8.290 nan 0.000 0.559 104 S N -0.389 115.384 115.700 0.122 0.000 2.489 104 S HA 0.205 4.681 4.470 0.009 0.000 0.228 104 S C 0.892 175.597 174.600 0.175 0.000 0.995 104 S CA -0.269 58.023 58.200 0.154 0.000 0.934 104 S CB -0.144 63.117 63.200 0.100 0.000 0.771 104 S HN 0.004 nan 8.310 nan 0.000 0.522 105 L N 2.495 123.801 121.223 0.138 0.000 2.499 105 L HA 0.152 4.497 4.340 0.009 0.000 0.273 105 L C 1.427 178.411 176.870 0.191 0.000 1.195 105 L CA 0.247 55.167 54.840 0.133 0.000 0.882 105 L CB 0.447 42.559 42.059 0.089 0.000 1.133 105 L HN 0.004 nan 8.230 nan 0.000 0.483 106 V N 3.986 124.029 119.914 0.215 0.000 2.323 106 V HA -0.118 4.007 4.120 0.009 0.000 0.244 106 V C 1.015 177.222 176.094 0.189 0.000 1.041 106 V CA 1.263 63.741 62.300 0.297 0.000 1.025 106 V CB -0.313 31.687 31.823 0.295 0.000 0.656 106 V HN 0.539 nan 8.190 nan 0.000 0.451 107 L N 2.818 124.104 121.223 0.105 0.000 2.556 107 L HA 0.371 4.716 4.340 0.009 0.000 0.243 107 L C -2.431 174.476 176.870 0.062 0.000 1.331 107 L CA -1.164 53.716 54.840 0.068 0.000 0.927 107 L CB 0.878 42.912 42.059 -0.042 0.000 1.219 107 L HN 0.235 nan 8.230 nan 0.000 0.490 108 P HA 0.149 nan 4.420 nan 0.000 0.280 108 P C -0.279 177.049 177.300 0.047 0.000 1.244 108 P CA -0.578 62.555 63.100 0.054 0.000 0.784 108 P CB 0.994 32.727 31.700 0.055 0.000 0.913 109 R N 3.496 124.016 120.500 0.033 0.000 3.491 109 R HA 0.053 4.399 4.340 0.009 0.000 0.186 109 R C 0.767 177.083 176.300 0.027 0.000 1.737 109 R CA 0.322 56.438 56.100 0.026 0.000 1.218 109 R CB -0.426 29.883 30.300 0.016 0.000 1.301 109 R HN 0.472 nan 8.270 nan 0.000 0.703 110 K N 0.175 120.595 120.400 0.033 0.000 2.830 110 K HA 0.159 4.484 4.320 0.009 0.000 0.250 110 K C 1.796 178.411 176.600 0.026 0.000 1.395 110 K CA -0.076 56.228 56.287 0.028 0.000 0.886 110 K CB -0.630 31.888 32.500 0.030 0.000 1.889 110 K HN 0.036 nan 8.250 nan 0.000 0.368 111 L N 2.344 123.583 121.223 0.028 0.000 2.131 111 L HA -0.046 4.300 4.340 0.009 0.000 0.210 111 L C 0.948 177.837 176.870 0.031 0.000 1.092 111 L CA 0.851 55.703 54.840 0.020 0.000 0.759 111 L CB -1.064 40.996 42.059 0.002 0.000 0.903 111 L HN 0.317 nan 8.230 nan 0.000 0.435 112 Q N 1.748 121.579 119.800 0.053 0.000 4.129 112 Q HA -0.179 4.166 4.340 0.009 0.000 0.390 112 Q C 0.166 176.183 176.000 0.028 0.000 1.090 112 Q CA 0.620 56.456 55.803 0.055 0.000 1.344 112 Q CB -0.586 28.175 28.738 0.037 0.000 1.031 112 Q HN 0.488 nan 8.270 nan 0.000 0.470 113 T N 2.076 116.648 114.554 0.031 0.000 4.280 113 T HA 0.216 4.572 4.350 0.009 0.000 0.245 113 T C 0.205 174.901 174.700 -0.007 0.000 1.100 113 T CA -0.694 61.412 62.100 0.010 0.000 1.137 113 T CB -0.053 68.823 68.868 0.013 0.000 1.296 113 T HN 0.394 nan 8.240 nan 0.000 0.998 114 R N 2.993 123.485 120.500 -0.013 0.000 2.537 114 R HA 0.263 4.609 4.340 0.009 0.000 0.280 114 R C -2.424 173.857 176.300 -0.032 0.000 1.058 114 R CA -1.821 54.261 56.100 -0.029 0.000 1.057 114 R CB -0.412 29.873 30.300 -0.025 0.000 0.973 114 R HN 0.295 nan 8.270 nan 0.000 0.438 115 P HA -0.036 nan 4.420 nan 0.000 0.255 115 P C -1.048 176.235 177.300 -0.029 0.000 1.173 115 P CA 0.585 63.662 63.100 -0.039 0.000 0.780 115 P CB 0.387 32.056 31.700 -0.051 0.000 0.758 116 S N 3.569 119.254 115.700 -0.024 0.000 2.468 116 S HA 0.356 4.832 4.470 0.009 0.000 0.190 116 S C -1.649 172.941 174.600 -0.017 0.000 1.445 116 S CA -1.211 56.978 58.200 -0.019 0.000 1.084 116 S CB 0.249 63.439 63.200 -0.017 0.000 1.175 116 S HN 0.171 nan 8.310 nan 0.000 0.484 117 P HA -0.046 nan 4.420 nan 0.000 0.206 117 P C 1.042 178.337 177.300 -0.009 0.000 1.142 117 P CA 1.256 64.349 63.100 -0.011 0.000 0.946 117 P CB -0.639 31.056 31.700 -0.009 0.000 0.777 118 G N 1.339 110.135 108.800 -0.006 0.000 2.138 118 G HA2 0.088 4.054 3.960 0.009 0.000 0.244 118 G HA3 0.088 4.054 3.960 0.009 0.000 0.244 118 G C -2.239 172.659 174.900 -0.004 0.000 1.166 118 G CA -0.485 44.613 45.100 -0.003 0.000 0.902 118 G HN 0.170 nan 8.290 nan 0.000 0.460 119 P HA 0.023 nan 4.420 nan 0.000 0.264 119 P C -1.781 175.518 177.300 -0.002 0.000 1.173 119 P CA -0.371 62.727 63.100 -0.004 0.000 0.761 119 P CB 0.118 31.819 31.700 0.003 0.000 0.794 120 P HA 0.200 nan 4.420 nan 0.000 0.275 120 P C -2.512 174.793 177.300 0.008 0.000 1.228 120 P CA -1.562 61.539 63.100 0.000 0.000 0.786 120 P CB -0.475 31.224 31.700 -0.003 0.000 0.927 121 P HA -0.007 nan 4.420 nan 0.000 0.257 121 P C 1.002 178.312 177.300 0.015 0.000 1.189 121 P CA 0.344 63.450 63.100 0.011 0.000 0.780 121 P CB -0.069 31.636 31.700 0.009 0.000 0.772 122 A N 3.981 126.811 122.820 0.016 0.000 2.042 122 A HA -0.283 4.043 4.320 0.009 0.000 0.222 122 A C 2.123 179.716 177.584 0.015 0.000 1.167 122 A CA 1.928 53.977 52.037 0.020 0.000 0.649 122 A CB -0.801 18.210 19.000 0.018 0.000 0.809 122 A HN 0.589 nan 8.150 nan 0.000 0.457 123 E N -0.908 119.298 120.200 0.011 0.000 2.072 123 E HA -0.229 4.126 4.350 0.009 0.000 0.190 123 E C 2.245 178.852 176.600 0.012 0.000 0.982 123 E CA 1.193 57.597 56.400 0.008 0.000 0.803 123 E CB -0.150 29.553 29.700 0.006 0.000 0.755 123 E HN 0.819 nan 8.360 nan 0.000 0.453 124 Q N 0.256 120.065 119.800 0.015 0.000 2.123 124 Q HA -0.169 4.177 4.340 0.009 0.000 0.199 124 Q C 2.268 178.285 176.000 0.029 0.000 0.966 124 Q CA 1.086 56.901 55.803 0.020 0.000 0.845 124 Q CB -0.075 28.673 28.738 0.017 0.000 0.907 124 Q HN 0.310 nan 8.270 nan 0.000 0.439 125 L N 0.527 121.771 121.223 0.034 0.000 2.017 125 L HA -0.155 4.190 4.340 0.009 0.000 0.208 125 L C 2.126 179.027 176.870 0.051 0.000 1.073 125 L CA 1.491 56.366 54.840 0.058 0.000 0.745 125 L CB -0.841 41.261 42.059 0.071 0.000 0.894 125 L HN 0.363 nan 8.230 nan 0.000 0.432 126 L N -0.294 120.938 121.223 0.016 0.000 2.042 126 L HA -0.217 4.128 4.340 0.009 0.000 0.210 126 L C 2.764 179.627 176.870 -0.013 0.000 1.076 126 L CA 2.329 57.154 54.840 -0.026 0.000 0.749 126 L CB -1.150 40.894 42.059 -0.026 0.000 0.893 126 L HN 0.705 nan 8.230 nan 0.000 0.432 127 S N -1.457 114.250 115.700 0.012 0.000 2.383 127 S HA -0.229 4.246 4.470 0.009 0.000 0.227 127 S C 1.799 176.431 174.600 0.053 0.000 1.026 127 S CA 0.905 59.120 58.200 0.024 0.000 0.981 127 S CB -0.349 62.865 63.200 0.024 0.000 0.818 127 S HN 0.523 nan 8.310 nan 0.000 0.472 128 Q N 0.965 120.804 119.800 0.066 0.000 2.119 128 Q HA 0.082 4.427 4.340 0.009 0.000 0.201 128 Q C 2.610 178.706 176.000 0.160 0.000 0.972 128 Q CA 1.324 57.189 55.803 0.103 0.000 0.847 128 Q CB -0.492 28.301 28.738 0.092 0.000 0.903 128 Q HN 0.779 nan 8.270 nan 0.000 0.433 129 A N 1.188 124.082 122.820 0.124 0.000 1.873 129 A HA -0.188 4.138 4.320 0.009 0.000 0.215 129 A C 1.976 179.630 177.584 0.115 0.000 1.186 129 A CA 1.203 53.308 52.037 0.113 0.000 0.616 129 A CB -0.375 18.449 19.000 -0.293 0.000 0.823 129 A HN 0.205 nan 8.150 nan 0.000 0.442 130 R N -0.600 119.927 120.500 0.045 0.000 2.091 130 R HA -0.180 4.166 4.340 0.009 0.000 0.238 130 R C 2.012 178.382 176.300 0.118 0.000 1.136 130 R CA 1.696 57.829 56.100 0.055 0.000 0.959 130 R CB -0.478 29.832 30.300 0.017 0.000 0.856 130 R HN 0.727 nan 8.270 nan 0.000 0.437 131 D N 0.086 120.568 120.400 0.135 0.000 2.097 131 D HA -0.207 4.439 4.640 0.009 0.000 0.195 131 D C 1.659 178.083 176.300 0.207 0.000 0.989 131 D CA 0.973 55.064 54.000 0.152 0.000 0.827 131 D CB -0.075 40.811 40.800 0.143 0.000 0.966 131 D HN 0.124 nan 8.370 nan 0.000 0.456 132 F N 0.829 120.869 119.950 0.150 0.000 2.134 132 F HA -0.085 4.447 4.527 0.008 0.000 0.299 132 F C 1.894 177.848 175.800 0.257 0.000 1.097 132 F CA 1.009 59.135 58.000 0.210 0.000 1.264 132 F CB -0.224 38.904 39.000 0.213 0.000 1.001 132 F HN 0.011 nan 8.300 nan 0.000 0.479 133 I N 0.804 121.380 120.570 0.009 0.000 2.361 133 I HA -0.275 3.900 4.170 0.009 0.000 0.251 133 I C 1.904 178.069 176.117 0.080 0.000 1.133 133 I CA 1.064 62.382 61.300 0.029 0.000 1.413 133 I CB -1.590 36.527 38.000 0.195 0.000 1.073 133 I HN 0.229 nan 8.210 nan 0.000 0.424 134 N N 0.889 119.656 118.700 0.112 0.000 2.142 134 N HA -0.164 4.581 4.740 0.009 0.000 0.186 134 N C 1.834 177.302 175.510 -0.069 0.000 1.023 134 N CA 0.999 54.099 53.050 0.084 0.000 0.852 134 N CB -0.293 38.287 38.487 0.154 0.000 0.998 134 N HN 0.496 nan 8.380 nan 0.000 0.424 135 Q N -0.473 119.301 119.800 -0.043 0.000 2.084 135 Q HA -0.172 4.174 4.340 0.009 0.000 0.202 135 Q C 1.762 177.573 176.000 -0.315 0.000 0.978 135 Q CA 1.229 57.015 55.803 -0.029 0.000 0.844 135 Q CB -0.249 28.611 28.738 0.205 0.000 0.898 135 Q HN 0.432 nan 8.270 nan 0.000 0.426 136 Y N 0.022 119.936 120.300 -0.644 0.000 2.114 136 Y HA -0.289 4.266 4.550 0.008 0.000 0.284 136 Y C 1.725 177.119 175.900 -0.843 0.000 1.143 136 Y CA 1.592 59.059 58.100 -1.054 0.000 1.135 136 Y CB -0.464 37.449 38.460 -0.911 0.000 0.980 136 Y HN 0.083 nan 8.280 nan 0.000 0.499 137 Y N -0.834 119.056 120.300 -0.683 0.000 2.352 137 Y HA -0.178 4.379 4.550 0.010 0.000 0.292 137 Y C 3.028 178.584 175.900 -0.573 0.000 1.136 137 Y CA 1.627 59.298 58.100 -0.714 0.000 1.227 137 Y CB -0.660 37.256 38.460 -0.907 0.000 0.991 137 Y HN 0.223 nan 8.280 nan 0.000 0.545 138 S N -0.597 114.881 115.700 -0.370 0.000 2.368 138 S HA -0.196 4.279 4.470 0.009 0.000 0.224 138 S C 2.400 176.820 174.600 -0.300 0.000 1.029 138 S CA 1.438 59.491 58.200 -0.245 0.000 0.988 138 S CB -0.681 62.431 63.200 -0.146 0.000 0.838 138 S HN 0.573 nan 8.310 nan 0.000 0.462 139 S N 2.085 117.508 115.700 -0.461 0.000 2.399 139 S HA -0.078 4.398 4.470 0.009 0.000 0.231 139 S C 1.662 176.002 174.600 -0.433 0.000 1.022 139 S CA 1.181 59.119 58.200 -0.437 0.000 0.983 139 S CB -1.001 61.768 63.200 -0.719 0.000 0.803 139 S HN 0.818 nan 8.310 nan 0.000 0.480 140 I N -3.019 117.190 120.570 -0.603 0.000 3.855 140 I HA 0.407 4.583 4.170 0.009 0.000 0.327 140 I C -0.334 175.609 176.117 -0.291 0.000 1.359 140 I CA -0.556 60.464 61.300 -0.467 0.000 1.142 140 I CB -0.155 37.462 38.000 -0.640 0.000 1.041 140 I HN -0.123 nan 8.210 nan 0.000 0.403 141 K N 2.118 122.376 120.400 -0.238 0.000 3.096 141 K HA -0.155 4.170 4.320 0.009 0.000 0.266 141 K C -0.088 176.455 176.600 -0.095 0.000 1.043 141 K CA 0.510 56.714 56.287 -0.139 0.000 0.758 141 K CB -1.580 30.859 32.500 -0.102 0.000 1.260 141 K HN 0.597 nan 8.250 nan 0.000 0.481 142 R N -0.654 119.793 120.500 -0.087 0.000 2.668 142 R HA 0.083 4.429 4.340 0.009 0.000 0.435 142 R C 0.015 176.355 176.300 0.068 0.000 1.059 142 R CA -0.293 55.818 56.100 0.019 0.000 1.073 142 R CB 0.916 31.270 30.300 0.091 0.000 1.401 142 R HN 0.160 nan 8.270 nan 0.000 0.590 143 S N -0.069 115.637 115.700 0.010 0.000 2.498 143 S HA 0.319 4.795 4.470 0.009 0.000 0.281 143 S C 1.315 176.025 174.600 0.183 0.000 1.265 143 S CA 1.396 59.644 58.200 0.079 0.000 1.071 143 S CB 0.342 63.554 63.200 0.021 0.000 0.894 143 S HN 0.744 nan 8.310 nan 0.000 0.491 144 G N 3.352 112.380 108.800 0.381 0.000 2.175 144 G HA2 -0.279 3.686 3.960 0.009 0.000 0.244 144 G HA3 -0.279 3.686 3.960 0.009 0.000 0.244 144 G C 0.328 175.241 174.900 0.022 0.000 0.982 144 G CA 0.345 45.497 45.100 0.087 0.000 0.641 144 G HN 1.533 nan 8.290 nan 0.000 0.527 145 S N -0.591 115.147 115.700 0.063 0.000 2.617 145 S HA 0.415 4.890 4.470 0.009 0.000 0.255 145 S C 1.370 175.952 174.600 -0.029 0.000 1.318 145 S CA 0.786 58.998 58.200 0.020 0.000 0.978 145 S CB 1.136 64.368 63.200 0.054 0.000 0.961 145 S HN 0.562 nan 8.310 nan 0.000 0.582 146 Q N 0.144 119.932 119.800 -0.021 0.000 2.079 146 Q HA -0.061 4.285 4.340 0.009 0.000 0.200 146 Q C 2.233 178.201 176.000 -0.052 0.000 0.974 146 Q CA 1.296 57.076 55.803 -0.038 0.000 0.840 146 Q CB -0.734 27.995 28.738 -0.015 0.000 0.898 146 Q HN 0.906 nan 8.270 nan 0.000 0.430 147 A N 0.086 122.895 122.820 -0.018 0.000 1.969 147 A HA -0.229 4.097 4.320 0.009 0.000 0.218 147 A C 1.863 179.296 177.584 -0.251 0.000 1.169 147 A CA 1.607 53.643 52.037 -0.003 0.000 0.635 147 A CB -0.945 18.160 19.000 0.174 0.000 0.810 147 A HN 0.694 nan 8.150 nan 0.000 0.445 148 H N -0.721 117.957 119.070 -0.654 0.000 2.326 148 H HA -0.091 4.471 4.556 0.010 0.000 0.301 148 H C 1.807 176.808 175.328 -0.545 0.000 1.081 148 H CA 1.199 56.545 56.048 -1.170 0.000 1.334 148 H CB 0.149 29.445 29.762 -0.776 0.000 1.385 148 H HN 0.409 nan 8.280 nan 0.000 0.504 149 E N 0.652 120.648 120.200 -0.340 0.000 2.150 149 E HA -0.134 4.221 4.350 0.009 0.000 0.193 149 E C 2.023 178.519 176.600 -0.175 0.000 0.985 149 E CA 0.799 57.022 56.400 -0.294 0.000 0.814 149 E CB -0.027 29.543 29.700 -0.216 0.000 0.752 149 E HN 0.707 nan 8.360 nan 0.000 0.466 150 E N 0.531 120.654 120.200 -0.129 0.000 2.072 150 E HA -0.142 4.214 4.350 0.009 0.000 0.190 150 E C 2.167 178.743 176.600 -0.039 0.000 0.982 150 E CA 0.601 56.962 56.400 -0.063 0.000 0.803 150 E CB -0.038 29.645 29.700 -0.028 0.000 0.755 150 E HN -0.074 nan 8.360 nan 0.000 0.453 151 R N 1.458 121.931 120.500 -0.045 0.000 2.096 151 R HA -0.083 4.263 4.340 0.009 0.000 0.235 151 R C 2.069 178.375 176.300 0.010 0.000 1.127 151 R CA 1.116 57.237 56.100 0.037 0.000 0.968 151 R CB -0.597 29.785 30.300 0.135 0.000 0.861 151 R HN 0.148 nan 8.270 nan 0.000 0.440 152 L N 0.180 121.372 121.223 -0.052 0.000 2.046 152 L HA -0.212 4.134 4.340 0.009 0.000 0.208 152 L C 2.564 179.394 176.870 -0.066 0.000 1.077 152 L CA 1.728 56.528 54.840 -0.066 0.000 0.747 152 L CB -0.443 41.533 42.059 -0.138 0.000 0.896 152 L HN 0.332 nan 8.230 nan 0.000 0.432 153 Q N -0.428 119.334 119.800 -0.063 0.000 2.050 153 Q HA -0.285 4.061 4.340 0.009 0.000 0.202 153 Q C 2.129 178.116 176.000 -0.022 0.000 0.980 153 Q CA 1.833 57.609 55.803 -0.045 0.000 0.840 153 Q CB -0.165 28.549 28.738 -0.041 0.000 0.898 153 Q HN 0.487 nan 8.270 nan 0.000 0.424 154 E N 0.277 120.476 120.200 -0.003 0.000 2.085 154 E HA -0.190 4.166 4.350 0.009 0.000 0.194 154 E C 1.956 178.572 176.600 0.026 0.000 0.994 154 E CA 1.292 57.708 56.400 0.027 0.000 0.801 154 E CB 0.149 29.882 29.700 0.055 0.000 0.743 154 E HN 0.128 nan 8.360 nan 0.000 0.453 155 V N 1.354 121.259 119.914 -0.015 0.000 2.307 155 V HA -0.246 3.879 4.120 0.009 0.000 0.245 155 V C 2.089 178.116 176.094 -0.112 0.000 1.045 155 V CA 2.224 64.458 62.300 -0.110 0.000 1.024 155 V CB -0.555 31.091 31.823 -0.296 0.000 0.651 155 V HN 0.312 nan 8.190 nan 0.000 0.449 156 E N 0.596 120.744 120.200 -0.087 0.000 2.077 156 E HA -0.200 4.155 4.350 0.009 0.000 0.193 156 E C 2.341 178.930 176.600 -0.019 0.000 0.989 156 E CA 1.344 57.708 56.400 -0.060 0.000 0.800 156 E CB -0.385 29.284 29.700 -0.052 0.000 0.746 156 E HN 0.596 nan 8.360 nan 0.000 0.452 157 A N 1.632 124.449 122.820 -0.005 0.000 1.877 157 A HA -0.281 4.044 4.320 0.009 0.000 0.216 157 A C 2.120 179.727 177.584 0.038 0.000 1.186 157 A CA 1.814 53.860 52.037 0.015 0.000 0.620 157 A CB -0.549 18.462 19.000 0.018 0.000 0.822 157 A HN 0.289 nan 8.150 nan 0.000 0.443 158 E N -0.340 119.896 120.200 0.060 0.000 2.077 158 E HA -0.137 4.218 4.350 0.009 0.000 0.193 158 E C 1.755 178.419 176.600 0.106 0.000 0.989 158 E CA 1.463 57.926 56.400 0.105 0.000 0.800 158 E CB -0.126 29.677 29.700 0.173 0.000 0.746 158 E HN 0.296 nan 8.360 nan 0.000 0.452 159 V N 0.922 120.887 119.914 0.085 0.000 2.626 159 V HA -0.188 3.937 4.120 0.009 0.000 0.252 159 V C 2.274 178.398 176.094 0.050 0.000 1.067 159 V CA 1.489 63.836 62.300 0.079 0.000 1.081 159 V CB -0.412 31.437 31.823 0.043 0.000 0.686 159 V HN 0.431 nan 8.190 nan 0.000 0.468 160 A N 0.535 123.376 122.820 0.035 0.000 1.929 160 A HA -0.137 4.189 4.320 0.009 0.000 0.216 160 A C 2.454 180.057 177.584 0.031 0.000 1.176 160 A CA 1.996 54.049 52.037 0.026 0.000 0.628 160 A CB -0.367 18.643 19.000 0.016 0.000 0.816 160 A HN 0.663 nan 8.150 nan 0.000 0.444 161 S N -1.637 114.087 115.700 0.041 0.000 2.483 161 S HA -0.035 4.440 4.470 0.009 0.000 0.221 161 S C 1.625 176.254 174.600 0.049 0.000 1.030 161 S CA 1.210 59.434 58.200 0.041 0.000 0.925 161 S CB -0.483 62.742 63.200 0.041 0.000 0.795 161 S HN 0.696 nan 8.310 nan 0.000 0.511 162 T N -3.316 111.276 114.554 0.064 0.000 2.985 162 T HA 0.542 4.898 4.350 0.009 0.000 0.254 162 T C 1.642 176.378 174.700 0.061 0.000 1.021 162 T CA 0.774 62.916 62.100 0.070 0.000 0.957 162 T CB 0.167 69.097 68.868 0.103 0.000 1.047 162 T HN 1.132 nan 8.240 nan 0.000 0.511 163 G N 0.321 109.156 108.800 0.058 0.000 2.199 163 G HA2 -0.206 3.759 3.960 0.009 0.000 0.254 163 G HA3 -0.206 3.759 3.960 0.009 0.000 0.254 163 G C 0.221 175.156 174.900 0.057 0.000 0.982 163 G CA 0.589 45.717 45.100 0.047 0.000 0.632 163 G HN 1.021 nan 8.290 nan 0.000 0.529 164 T N -1.389 113.212 114.554 0.077 0.000 2.645 164 T HA 0.721 5.076 4.350 0.009 0.000 0.300 164 T C -1.046 173.758 174.700 0.173 0.000 1.210 164 T CA 0.393 62.543 62.100 0.083 0.000 1.034 164 T CB 1.439 70.271 68.868 -0.060 0.000 1.537 164 T HN 1.460 nan 8.240 nan 0.000 0.492 165 Y N -0.918 119.308 120.300 -0.124 0.000 2.728 165 Y HA 0.855 5.410 4.550 0.009 0.000 0.330 165 Y C -1.445 174.288 175.900 -0.279 0.000 1.234 165 Y CA -1.221 56.845 58.100 -0.056 0.000 1.070 165 Y CB 0.952 39.427 38.460 0.025 0.000 1.300 165 Y HN 0.754 nan 8.280 nan 0.000 0.467 166 H N 0.444 119.517 119.070 0.006 0.000 2.690 166 H HA 0.617 5.178 4.556 0.009 0.000 0.368 166 H C -1.094 174.259 175.328 0.040 0.000 1.150 166 H CA -0.785 55.212 56.048 -0.084 0.000 1.174 166 H CB 2.037 31.800 29.762 0.002 0.000 1.684 166 H HN 0.671 nan 8.280 nan 0.000 0.538 167 L N 2.245 123.527 121.223 0.099 0.000 2.379 167 L HA 0.479 4.824 4.340 0.009 0.000 0.269 167 L C 0.564 177.510 176.870 0.128 0.000 1.084 167 L CA -0.693 54.240 54.840 0.156 0.000 0.802 167 L CB 0.851 42.980 42.059 0.117 0.000 1.175 167 L HN 0.448 nan 8.230 nan 0.000 0.448 168 R N 0.838 121.393 120.500 0.091 0.000 2.560 168 R HA 0.059 4.404 4.340 0.009 0.000 0.270 168 R C 1.017 177.319 176.300 0.002 0.000 1.074 168 R CA -0.482 55.641 56.100 0.038 0.000 1.140 168 R CB 0.871 31.172 30.300 0.002 0.000 1.073 168 R HN 0.658 nan 8.270 nan 0.000 0.527 169 E N 1.166 121.367 120.200 0.001 0.000 2.048 169 E HA -0.281 4.075 4.350 0.009 0.000 0.202 169 E C 1.592 178.181 176.600 -0.018 0.000 1.021 169 E CA 2.427 58.820 56.400 -0.011 0.000 0.825 169 E CB 0.016 29.714 29.700 -0.004 0.000 0.756 169 E HN 0.684 nan 8.360 nan 0.000 0.454 170 S N 0.218 115.907 115.700 -0.019 0.000 2.400 170 S HA -0.201 4.274 4.470 0.009 0.000 0.232 170 S C 1.756 176.331 174.600 -0.041 0.000 1.025 170 S CA 1.427 59.635 58.200 0.012 0.000 0.993 170 S CB -0.402 62.839 63.200 0.068 0.000 0.808 170 S HN 0.368 nan 8.310 nan 0.000 0.478 171 E N 0.888 120.946 120.200 -0.237 0.000 2.106 171 E HA -0.062 4.293 4.350 0.009 0.000 0.192 171 E C 2.057 178.769 176.600 0.188 0.000 0.984 171 E CA 1.086 57.366 56.400 -0.200 0.000 0.806 171 E CB -0.347 29.271 29.700 -0.136 0.000 0.750 171 E HN 0.458 nan 8.360 nan 0.000 0.458 172 L N 0.994 122.246 121.223 0.048 0.000 2.017 172 L HA -0.149 4.196 4.340 0.009 0.000 0.208 172 L C 2.234 179.086 176.870 -0.029 0.000 1.073 172 L CA 1.382 56.193 54.840 -0.048 0.000 0.745 172 L CB -0.372 41.606 42.059 -0.135 0.000 0.894 172 L HN -0.078 nan 8.230 nan 0.000 0.432 173 V N -0.318 119.609 119.914 0.023 0.000 2.287 173 V HA -0.324 3.802 4.120 0.009 0.000 0.248 173 V C 2.363 178.546 176.094 0.148 0.000 1.053 173 V CA 2.223 64.550 62.300 0.046 0.000 1.027 173 V CB -1.017 30.839 31.823 0.055 0.000 0.646 173 V HN 0.579 nan 8.190 nan 0.000 0.447 174 F N 2.113 122.142 119.950 0.132 0.000 2.102 174 F HA -0.052 4.480 4.527 0.008 0.000 0.298 174 F C 2.162 178.097 175.800 0.226 0.000 1.105 174 F CA 1.734 59.867 58.000 0.221 0.000 1.239 174 F CB -0.965 38.240 39.000 0.342 0.000 0.991 174 F HN 0.118 nan 8.300 nan 0.000 0.474 175 G N -0.195 108.663 108.800 0.097 0.000 2.418 175 G HA2 -0.206 3.759 3.960 0.009 0.000 0.217 175 G HA3 -0.206 3.759 3.960 0.009 0.000 0.217 175 G C 1.837 176.588 174.900 -0.248 0.000 1.158 175 G CA 0.887 45.918 45.100 -0.116 0.000 0.771 175 G HN 0.650 nan 8.290 nan 0.000 0.545 176 A N 0.908 123.619 122.820 -0.181 0.000 1.902 176 A HA -0.027 4.299 4.320 0.009 0.000 0.217 176 A C 2.318 179.889 177.584 -0.021 0.000 1.181 176 A CA 1.996 53.937 52.037 -0.160 0.000 0.623 176 A CB -0.357 18.581 19.000 -0.104 0.000 0.818 176 A HN 0.386 nan 8.150 nan 0.000 0.443 177 K N -0.819 119.609 120.400 0.047 0.000 2.057 177 K HA -0.135 4.190 4.320 0.009 0.000 0.207 177 K C 2.282 178.937 176.600 0.090 0.000 1.049 177 K CA 1.296 57.717 56.287 0.223 0.000 0.931 177 K CB -0.178 32.506 32.500 0.307 0.000 0.714 177 K HN 0.385 nan 8.250 nan 0.000 0.440 178 Q N 0.346 120.017 119.800 -0.215 0.000 2.124 178 Q HA -0.106 4.240 4.340 0.009 0.000 0.202 178 Q C 2.205 178.061 176.000 -0.240 0.000 0.977 178 Q CA 1.526 57.112 55.803 -0.361 0.000 0.850 178 Q CB -0.338 28.058 28.738 -0.570 0.000 0.901 178 Q HN 0.333 nan 8.270 nan 0.000 0.429 179 A N 0.392 123.063 122.820 -0.249 0.000 1.908 179 A HA -0.202 4.123 4.320 0.009 0.000 0.218 179 A C 1.832 179.426 177.584 0.018 0.000 1.181 179 A CA 1.532 53.364 52.037 -0.343 0.000 0.627 179 A CB -1.001 17.445 19.000 -0.923 0.000 0.818 179 A HN 0.541 nan 8.150 nan 0.000 0.445 180 W N 0.863 122.169 121.300 0.011 0.000 2.353 180 W HA -0.141 4.523 4.660 0.007 0.000 0.319 180 W C 2.399 178.890 176.519 -0.046 0.000 1.207 180 W CA 1.620 59.013 57.345 0.079 0.000 1.291 180 W CB -0.892 28.613 29.460 0.074 0.000 1.159 180 W HN 0.385 nan 8.180 nan 0.000 0.478 181 R N 0.401 120.856 120.500 -0.077 0.000 2.133 181 R HA -0.227 4.118 4.340 0.009 0.000 0.247 181 R C 1.605 177.766 176.300 -0.230 0.000 1.151 181 R CA 2.012 57.867 56.100 -0.408 0.000 0.971 181 R CB -0.600 29.177 30.300 -0.873 0.000 0.866 181 R HN 0.125 nan 8.270 nan 0.000 0.447 182 N N 0.198 118.808 118.700 -0.149 0.000 2.463 182 N HA 0.018 4.763 4.740 0.009 0.000 0.181 182 N C -0.307 175.161 175.510 -0.070 0.000 1.078 182 N CA 0.754 53.735 53.050 -0.116 0.000 0.902 182 N CB 0.299 38.715 38.487 -0.119 0.000 0.970 182 N HN 0.197 nan 8.380 nan 0.000 0.451 183 A N 2.026 124.848 122.820 0.004 0.000 2.489 183 A HA 0.217 4.543 4.320 0.009 0.000 0.289 183 A C -1.240 176.319 177.584 -0.041 0.000 1.216 183 A CA -0.928 51.105 52.037 -0.006 0.000 0.883 183 A CB 0.235 19.270 19.000 0.057 0.000 1.110 183 A HN 0.022 nan 8.150 nan 0.000 0.523 184 P HA -0.149 nan 4.420 nan 0.000 0.218 184 P C 1.130 178.379 177.300 -0.084 0.000 1.148 184 P CA 1.241 64.281 63.100 -0.101 0.000 0.822 184 P CB 0.147 31.754 31.700 -0.154 0.000 0.784 185 R N -2.257 118.157 120.500 -0.144 0.000 2.317 185 R HA 0.136 4.482 4.340 0.009 0.000 0.208 185 R C 0.352 176.627 176.300 -0.040 0.000 0.914 185 R CA -0.126 55.903 56.100 -0.117 0.000 1.060 185 R CB -0.446 29.623 30.300 -0.385 0.000 1.015 185 R HN 0.184 nan 8.270 nan 0.000 0.498 186 C N 0.677 119.949 119.300 -0.046 0.000 2.325 186 C HA 0.202 4.667 4.460 0.009 0.000 0.347 186 C C 1.875 176.799 174.990 -0.109 0.000 1.263 186 C CA -0.626 58.385 59.018 -0.011 0.000 1.806 186 C CB 0.547 28.350 27.740 0.104 0.000 2.405 186 C HN 0.280 nan 8.230 nan 0.000 0.537 187 V N 6.048 125.854 119.914 -0.179 0.000 3.541 187 V HA 0.229 4.355 4.120 0.009 0.000 0.267 187 V C 1.692 177.781 176.094 -0.009 0.000 1.213 187 V CA 1.909 63.987 62.300 -0.370 0.000 1.149 187 V CB -0.113 31.524 31.823 -0.309 0.000 0.822 187 V HN 1.069 nan 8.190 nan 0.000 0.462 188 G N -0.549 108.294 108.800 0.072 0.000 3.523 188 G HA2 0.089 4.055 3.960 0.009 0.000 0.270 188 G HA3 0.089 4.055 3.960 0.009 0.000 0.270 188 G C 1.132 176.088 174.900 0.094 0.000 1.134 188 G CA -0.385 44.788 45.100 0.121 0.000 0.825 188 G HN 0.424 nan 8.290 nan 0.000 0.534 189 R N -0.151 120.322 120.500 -0.044 0.000 2.357 189 R HA 0.157 4.503 4.340 0.009 0.000 0.202 189 R C 1.903 177.814 176.300 -0.648 0.000 1.047 189 R CA 0.065 55.861 56.100 -0.506 0.000 1.034 189 R CB -0.094 29.864 30.300 -0.570 0.000 0.875 189 R HN 0.449 nan 8.270 nan 0.000 0.473 190 I N 0.799 121.181 120.570 -0.313 0.000 2.756 190 I HA -0.218 3.958 4.170 0.009 0.000 0.262 190 I C 1.225 177.284 176.117 -0.098 0.000 1.225 190 I CA 1.173 62.446 61.300 -0.045 0.000 1.472 190 I CB 0.198 38.253 38.000 0.092 0.000 1.094 190 I HN 0.202 nan 8.210 nan 0.000 0.454 191 Q N 0.423 120.092 119.800 -0.219 0.000 2.360 191 Q HA -0.083 4.263 4.340 0.009 0.000 0.202 191 Q C 1.639 177.199 176.000 -0.734 0.000 0.915 191 Q CA 0.292 55.941 55.803 -0.256 0.000 0.943 191 Q CB -0.157 28.605 28.738 0.040 0.000 1.064 191 Q HN 0.774 nan 8.270 nan 0.000 0.511 192 W N 0.388 120.949 121.300 -1.231 0.000 2.308 192 W HA -0.168 4.499 4.660 0.012 0.000 0.301 192 W C 1.173 177.371 176.519 -0.534 0.000 1.220 192 W CA 1.289 57.760 57.345 -1.456 0.000 1.240 192 W CB -1.332 27.518 29.460 -1.017 0.000 1.142 192 W HN 0.081 nan 8.180 nan 0.000 0.521 193 G N 1.138 109.106 108.800 -1.387 0.000 2.598 193 G HA2 -0.188 3.778 3.960 0.009 0.000 0.215 193 G HA3 -0.188 3.778 3.960 0.009 0.000 0.215 193 G C 0.853 175.481 174.900 -0.452 0.000 1.131 193 G CA 0.161 44.548 45.100 -1.189 0.000 0.785 193 G HN 0.277 nan 8.290 nan 0.000 0.539 194 K N 0.160 120.409 120.400 -0.252 0.000 2.423 194 K HA 0.514 4.840 4.320 0.009 0.000 0.234 194 K C -1.621 175.087 176.600 0.180 0.000 1.051 194 K CA -0.683 55.591 56.287 -0.022 0.000 1.021 194 K CB 0.337 32.853 32.500 0.026 0.000 1.474 194 K HN 0.071 nan 8.250 nan 0.000 0.474 195 L N 2.783 124.098 121.223 0.152 0.000 2.410 195 L HA 0.368 4.714 4.340 0.009 0.000 0.270 195 L C -1.289 175.576 176.870 -0.009 0.000 0.983 195 L CA -0.402 54.547 54.840 0.182 0.000 0.822 195 L CB 1.966 44.213 42.059 0.314 0.000 1.285 195 L HN 0.424 nan 8.230 nan 0.000 0.409 196 Q N 3.445 123.173 119.800 -0.120 0.000 2.349 196 Q HA 0.471 4.816 4.340 0.009 0.000 0.254 196 Q C -1.578 174.081 176.000 -0.568 0.000 0.980 196 Q CA -0.172 55.388 55.803 -0.406 0.000 0.924 196 Q CB 1.147 29.524 28.738 -0.602 0.000 1.209 196 Q HN 0.515 nan 8.270 nan 0.000 0.445 197 V N 6.463 126.087 119.914 -0.484 0.000 2.334 197 V HA 0.327 4.453 4.120 0.009 0.000 0.267 197 V C -0.550 175.261 176.094 -0.471 0.000 1.040 197 V CA -0.483 61.587 62.300 -0.383 0.000 0.866 197 V CB -0.194 31.507 31.823 -0.203 0.000 1.019 197 V HN 0.625 nan 8.190 nan 0.000 0.468 198 F N 2.803 122.612 119.950 -0.235 0.000 2.421 198 F HA 0.331 4.861 4.527 0.005 0.000 0.358 198 F C 0.684 176.305 175.800 -0.300 0.000 1.115 198 F CA -0.838 57.011 58.000 -0.252 0.000 1.160 198 F CB 0.757 39.599 39.000 -0.262 0.000 1.123 198 F HN 0.399 nan 8.300 nan 0.000 0.508 199 D N 3.359 123.714 120.400 -0.075 0.000 2.365 199 D HA 0.374 5.019 4.640 0.009 0.000 0.237 199 D C 0.030 176.161 176.300 -0.282 0.000 1.190 199 D CA 0.075 53.970 54.000 -0.175 0.000 0.867 199 D CB 1.139 41.879 40.800 -0.099 0.000 1.050 199 D HN 0.618 nan 8.370 nan 0.000 0.491 200 A N 4.601 127.097 122.820 -0.540 0.000 2.701 200 A HA 0.161 4.486 4.320 0.009 0.000 0.297 200 A C 1.487 178.804 177.584 -0.446 0.000 1.197 200 A CA -0.401 51.092 52.037 -0.907 0.000 0.963 200 A CB 0.022 17.950 19.000 -1.787 0.000 1.175 200 A HN 0.523 nan 8.150 nan 0.000 0.531 201 R N 0.555 120.920 120.500 -0.225 0.000 2.339 201 R HA -0.067 4.278 4.340 0.009 0.000 0.199 201 R C 0.538 176.818 176.300 -0.034 0.000 1.018 201 R CA 1.139 57.183 56.100 -0.094 0.000 1.036 201 R CB 0.095 30.395 30.300 0.001 0.000 0.899 201 R HN 0.678 nan 8.270 nan 0.000 0.473 202 D N -1.056 119.346 120.400 0.003 0.000 2.360 202 D HA -0.054 4.592 4.640 0.009 0.000 0.210 202 D C 0.372 176.762 176.300 0.151 0.000 1.047 202 D CA -0.319 53.731 54.000 0.083 0.000 0.854 202 D CB -0.537 40.330 40.800 0.111 0.000 0.936 202 D HN -0.036 nan 8.370 nan 0.000 0.514 203 C N 1.937 121.333 119.300 0.162 0.000 2.596 203 C HA 0.316 4.782 4.460 0.009 0.000 0.414 203 C C 1.663 176.834 174.990 0.301 0.000 1.396 203 C CA 0.711 59.906 59.018 0.294 0.000 1.698 203 C CB -0.649 27.311 27.740 0.366 0.000 2.572 203 C HN 0.476 nan 8.230 nan 0.000 0.604 204 S N 2.422 118.320 115.700 0.330 0.000 2.780 204 S HA 0.304 4.779 4.470 0.009 0.000 0.248 204 S C -0.039 174.711 174.600 0.249 0.000 1.036 204 S CA 0.225 58.625 58.200 0.332 0.000 1.061 204 S CB -0.175 63.150 63.200 0.208 0.000 1.037 204 S HN 1.237 nan 8.310 nan 0.000 0.584 205 S N -0.311 115.536 115.700 0.245 0.000 2.570 205 S HA 0.812 5.287 4.470 0.009 0.000 0.270 205 S C 0.792 175.463 174.600 0.119 0.000 1.149 205 S CA -0.303 57.980 58.200 0.138 0.000 0.837 205 S CB 1.073 64.341 63.200 0.112 0.000 1.124 205 S HN 0.490 nan 8.310 nan 0.000 0.465 206 A N 0.842 123.704 122.820 0.071 0.000 1.972 206 A HA -0.076 4.250 4.320 0.009 0.000 0.219 206 A C 2.096 179.664 177.584 -0.028 0.000 1.169 206 A CA 2.145 54.211 52.037 0.049 0.000 0.635 206 A CB -1.102 17.980 19.000 0.136 0.000 0.810 206 A HN 0.905 nan 8.150 nan 0.000 0.446 207 Q N 0.195 120.056 119.800 0.102 0.000 2.079 207 Q HA -0.170 4.175 4.340 0.009 0.000 0.200 207 Q C 1.885 177.875 176.000 -0.017 0.000 0.974 207 Q CA 2.231 58.066 55.803 0.053 0.000 0.840 207 Q CB -0.362 28.497 28.738 0.202 0.000 0.898 207 Q HN 0.745 nan 8.270 nan 0.000 0.430 208 E N -0.809 119.424 120.200 0.054 0.000 2.150 208 E HA -0.158 4.198 4.350 0.009 0.000 0.193 208 E C 1.865 178.558 176.600 0.155 0.000 0.985 208 E CA 1.032 57.479 56.400 0.079 0.000 0.814 208 E CB -0.070 29.723 29.700 0.156 0.000 0.752 208 E HN 0.463 nan 8.360 nan 0.000 0.466 209 M N -0.224 119.437 119.600 0.102 0.000 2.108 209 M HA -0.155 4.331 4.480 0.009 0.000 0.261 209 M C 2.114 178.455 176.300 0.068 0.000 1.066 209 M CA 1.449 56.766 55.300 0.028 0.000 1.107 209 M CB -0.344 32.057 32.600 -0.331 0.000 1.356 209 M HN 0.218 nan 8.290 nan 0.000 0.406 210 F N 0.897 120.645 119.950 -0.337 0.000 2.134 210 F HA -0.237 4.297 4.527 0.012 0.000 0.299 210 F C 2.266 177.960 175.800 -0.177 0.000 1.097 210 F CA 1.704 59.456 58.000 -0.413 0.000 1.264 210 F CB -0.134 38.302 39.000 -0.939 0.000 1.001 210 F HN 0.053 nan 8.300 nan 0.000 0.479 211 T N -0.393 114.018 114.554 -0.238 0.000 2.674 211 T HA -0.258 4.097 4.350 0.009 0.000 0.265 211 T C 1.599 176.146 174.700 -0.256 0.000 1.039 211 T CA 1.928 63.840 62.100 -0.313 0.000 1.150 211 T CB -0.895 67.822 68.868 -0.252 0.000 0.864 211 T HN 0.371 nan 8.240 nan 0.000 0.427 212 Y N 0.855 121.110 120.300 -0.074 0.000 2.165 212 Y HA -0.107 4.447 4.550 0.008 0.000 0.286 212 Y C 2.330 178.182 175.900 -0.081 0.000 1.155 212 Y CA 0.847 58.915 58.100 -0.054 0.000 1.164 212 Y CB -0.358 38.180 38.460 0.131 0.000 0.978 212 Y HN 0.167 nan 8.280 nan 0.000 0.513 213 I N -1.569 119.082 120.570 0.134 0.000 2.252 213 I HA -0.340 3.836 4.170 0.009 0.000 0.245 213 I C 2.298 178.346 176.117 -0.115 0.000 1.102 213 I CA 0.828 62.145 61.300 0.028 0.000 1.385 213 I CB -0.453 37.564 38.000 0.029 0.000 1.064 213 I HN 0.313 nan 8.210 nan 0.000 0.414 214 C N 0.670 119.776 119.300 -0.323 0.000 2.425 214 C HA -0.129 4.336 4.460 0.009 0.000 0.277 214 C C 2.624 177.505 174.990 -0.182 0.000 1.280 214 C CA 0.783 59.596 59.018 -0.342 0.000 1.744 214 C CB -1.387 26.003 27.740 -0.582 0.000 1.989 214 C HN 0.541 nan 8.230 nan 0.000 0.491 215 N N -0.154 118.433 118.700 -0.188 0.000 2.142 215 N HA -0.129 4.616 4.740 0.009 0.000 0.186 215 N C 1.458 176.877 175.510 -0.152 0.000 1.023 215 N CA 1.337 54.277 53.050 -0.184 0.000 0.852 215 N CB -0.716 37.606 38.487 -0.275 0.000 0.998 215 N HN 0.743 nan 8.380 nan 0.000 0.424 216 H N 0.846 119.766 119.070 -0.251 0.000 2.290 216 H HA 0.013 4.576 4.556 0.011 0.000 0.298 216 H C 2.184 177.524 175.328 0.019 0.000 1.087 216 H CA 1.723 57.680 56.048 -0.152 0.000 1.291 216 H CB -0.073 29.643 29.762 -0.077 0.000 1.369 216 H HN 0.086 nan 8.280 nan 0.000 0.492 217 I N 0.619 121.322 120.570 0.222 0.000 2.208 217 I HA -0.291 3.884 4.170 0.009 0.000 0.245 217 I C 2.371 178.562 176.117 0.123 0.000 1.097 217 I CA 1.500 62.894 61.300 0.156 0.000 1.363 217 I CB -0.256 37.763 38.000 0.032 0.000 1.051 217 I HN 0.345 nan 8.210 nan 0.000 0.413 218 K N -0.117 120.326 120.400 0.071 0.000 2.025 218 K HA -0.223 4.103 4.320 0.009 0.000 0.207 218 K C 2.254 178.914 176.600 0.100 0.000 1.049 218 K CA 1.673 57.994 56.287 0.056 0.000 0.933 218 K CB -0.434 32.075 32.500 0.015 0.000 0.714 218 K HN 0.233 nan 8.250 nan 0.000 0.438 219 Y N 1.520 121.829 120.300 0.015 0.000 2.200 219 Y HA -0.200 4.352 4.550 0.003 0.000 0.290 219 Y C 2.208 178.166 175.900 0.097 0.000 1.137 219 Y CA 1.358 59.498 58.100 0.068 0.000 1.163 219 Y CB -0.350 38.192 38.460 0.136 0.000 0.988 219 Y HN 0.046 nan 8.280 nan 0.000 0.518 220 A N -0.811 122.222 122.820 0.355 0.000 1.898 220 A HA -0.144 4.182 4.320 0.009 0.000 0.216 220 A C 2.212 179.897 177.584 0.168 0.000 1.181 220 A CA 2.180 54.388 52.037 0.284 0.000 0.620 220 A CB -1.261 17.936 19.000 0.329 0.000 0.819 220 A HN 0.497 nan 8.150 nan 0.000 0.442 221 T N -0.205 114.432 114.554 0.138 0.000 2.737 221 T HA -0.105 4.251 4.350 0.009 0.000 0.265 221 T C 1.099 175.824 174.700 0.041 0.000 1.038 221 T CA 1.230 63.391 62.100 0.102 0.000 1.144 221 T CB -0.431 68.489 68.868 0.086 0.000 0.866 221 T HN 0.635 nan 8.240 nan 0.000 0.434 222 N N 1.147 119.843 118.700 -0.006 0.000 2.707 222 N HA -0.258 4.487 4.740 0.009 0.000 0.253 222 N C -0.216 175.272 175.510 -0.036 0.000 0.998 222 N CA 0.552 53.566 53.050 -0.061 0.000 0.751 222 N CB -1.294 37.117 38.487 -0.128 0.000 0.920 222 N HN 0.496 nan 8.380 nan 0.000 0.539 223 R N -2.408 118.082 120.500 -0.016 0.000 3.641 223 R HA -0.223 4.122 4.340 0.009 0.000 0.286 223 R C 1.293 177.581 176.300 -0.020 0.000 1.153 223 R CA 1.170 57.259 56.100 -0.017 0.000 0.775 223 R CB -1.939 28.346 30.300 -0.026 0.000 1.215 223 R HN 0.960 nan 8.270 nan 0.000 0.474 224 G N -0.337 108.461 108.800 -0.004 0.000 2.284 224 G HA2 -0.318 3.648 3.960 0.009 0.000 0.216 224 G HA3 -0.318 3.648 3.960 0.009 0.000 0.216 224 G C -0.000 174.895 174.900 -0.009 0.000 1.009 224 G CA 0.044 45.142 45.100 -0.005 0.000 0.625 224 G HN 0.354 nan 8.290 nan 0.000 0.501 225 N N 1.547 120.230 118.700 -0.030 0.000 3.188 225 N HA 0.470 5.215 4.740 0.009 0.000 0.279 225 N C 0.422 175.913 175.510 -0.031 0.000 1.213 225 N CA -0.421 52.595 53.050 -0.057 0.000 1.138 225 N CB -0.351 38.095 38.487 -0.067 0.000 1.417 225 N HN 0.252 nan 8.380 nan 0.000 0.526 226 L N 1.668 122.903 121.223 0.020 0.000 2.543 226 L HA 0.067 4.412 4.340 0.009 0.000 0.285 226 L C 0.824 177.821 176.870 0.212 0.000 1.236 226 L CA 1.026 55.952 54.840 0.143 0.000 0.871 226 L CB 0.177 42.407 42.059 0.285 0.000 1.121 226 L HN 0.326 nan 8.230 nan 0.000 0.501 227 R N 1.413 122.060 120.500 0.245 0.000 2.532 227 R HA 0.410 4.755 4.340 0.009 0.000 0.297 227 R C -0.611 175.881 176.300 0.320 0.000 0.984 227 R CA -0.652 55.621 56.100 0.287 0.000 0.884 227 R CB 1.675 32.053 30.300 0.129 0.000 1.182 227 R HN 0.589 nan 8.270 nan 0.000 0.442 228 S N 1.556 117.440 115.700 0.307 0.000 2.549 228 S HA 0.406 4.882 4.470 0.009 0.000 0.286 228 S C -0.173 174.482 174.600 0.091 0.000 1.314 228 S CA -0.049 58.219 58.200 0.114 0.000 1.062 228 S CB 1.066 64.286 63.200 0.034 0.000 0.865 228 S HN 0.706 nan 8.310 nan 0.000 0.498 229 A N 2.504 125.335 122.820 0.019 0.000 2.612 229 A HA 0.809 5.135 4.320 0.009 0.000 0.293 229 A C -1.329 176.276 177.584 0.035 0.000 1.075 229 A CA -0.677 51.310 52.037 -0.084 0.000 0.680 229 A CB 1.157 20.045 19.000 -0.188 0.000 1.279 229 A HN 0.807 nan 8.150 nan 0.000 0.411 230 I N 0.373 120.959 120.570 0.027 0.000 2.656 230 I HA 0.643 4.819 4.170 0.009 0.000 0.292 230 I C -1.187 175.031 176.117 0.170 0.000 1.144 230 I CA -0.076 61.358 61.300 0.224 0.000 1.038 230 I CB 2.383 40.466 38.000 0.139 0.000 1.244 230 I HN 0.591 nan 8.210 nan 0.000 0.420 231 T N 6.469 121.154 114.554 0.217 0.000 2.770 231 T HA 0.462 4.818 4.350 0.009 0.000 0.283 231 T C -0.709 173.785 174.700 -0.343 0.000 0.988 231 T CA -0.372 61.698 62.100 -0.050 0.000 0.957 231 T CB 1.456 70.288 68.868 -0.061 0.000 0.930 231 T HN 0.279 nan 8.240 nan 0.000 0.443 232 V N 5.080 124.724 119.914 -0.451 0.000 2.350 232 V HA 0.479 4.604 4.120 0.009 0.000 0.276 232 V C -0.397 175.376 176.094 -0.535 0.000 1.028 232 V CA -0.810 61.228 62.300 -0.437 0.000 0.860 232 V CB -0.016 31.522 31.823 -0.475 0.000 0.990 232 V HN 0.702 nan 8.190 nan 0.000 0.453 233 F N 5.041 124.908 119.950 -0.139 0.000 2.380 233 F HA 0.528 5.061 4.527 0.011 0.000 0.319 233 F C -1.820 173.853 175.800 -0.213 0.000 1.113 233 F CA -2.531 55.300 58.000 -0.282 0.000 1.056 233 F CB 0.261 39.088 39.000 -0.288 0.000 1.289 233 F HN 0.293 nan 8.300 nan 0.000 0.515 234 P HA -0.041 nan 4.420 nan 0.000 0.264 234 P C -0.954 176.313 177.300 -0.055 0.000 1.179 234 P CA 0.014 62.985 63.100 -0.214 0.000 0.763 234 P CB 0.189 31.625 31.700 -0.441 0.000 0.806 235 Q N 3.244 122.947 119.800 -0.161 0.000 2.443 235 Q HA 0.193 4.539 4.340 0.009 0.000 0.232 235 Q C -0.276 175.610 176.000 -0.190 0.000 1.026 235 Q CA -0.474 55.035 55.803 -0.490 0.000 0.924 235 Q CB 0.532 28.703 28.738 -0.945 0.000 1.256 235 Q HN 0.327 nan 8.270 nan 0.000 0.519 236 R N 0.085 120.463 120.500 -0.204 0.000 2.537 236 R HA 0.372 4.718 4.340 0.009 0.000 0.280 236 R C -0.560 175.687 176.300 -0.089 0.000 1.058 236 R CA 0.244 56.298 56.100 -0.077 0.000 1.057 236 R CB 0.570 30.821 30.300 -0.081 0.000 0.973 236 R HN 0.678 nan 8.270 nan 0.000 0.438 237 A N 4.595 127.404 122.820 -0.019 0.000 2.330 237 A HA 0.530 4.855 4.320 0.009 0.000 0.329 237 A C -2.334 175.245 177.584 -0.008 0.000 1.135 237 A CA -2.138 49.891 52.037 -0.015 0.000 0.817 237 A CB 0.817 19.839 19.000 0.037 0.000 1.269 237 A HN 0.434 nan 8.150 nan 0.000 0.469 238 P HA 0.133 nan 4.420 nan 0.000 0.253 238 P C 0.940 178.243 177.300 0.006 0.000 1.159 238 P CA 2.145 65.245 63.100 -0.000 0.000 0.779 238 P CB 0.101 31.807 31.700 0.009 0.000 0.745 239 G N 2.635 111.436 108.800 0.002 0.000 2.361 239 G HA2 -0.308 3.658 3.960 0.009 0.000 0.294 239 G HA3 -0.308 3.658 3.960 0.009 0.000 0.294 239 G C 0.270 175.174 174.900 0.007 0.000 1.004 239 G CA 0.073 45.175 45.100 0.004 0.000 0.870 239 G HN 0.693 nan 8.290 nan 0.000 0.510 240 R N -0.277 120.228 120.500 0.008 0.000 2.854 240 R HA 0.603 4.948 4.340 0.009 0.000 0.271 240 R C 0.852 177.154 176.300 0.003 0.000 0.996 240 R CA -0.151 55.954 56.100 0.009 0.000 0.961 240 R CB 0.997 31.311 30.300 0.023 0.000 1.182 240 R HN 0.341 nan 8.270 nan 0.000 0.479 241 G N 1.619 110.411 108.800 -0.013 0.000 2.491 241 G HA2 0.029 3.994 3.960 0.009 0.000 0.238 241 G HA3 0.029 3.994 3.960 0.009 0.000 0.238 241 G C -0.572 174.310 174.900 -0.029 0.000 1.277 241 G CA -0.258 44.827 45.100 -0.027 0.000 0.851 241 G HN 0.573 nan 8.290 nan 0.000 0.573 242 D N 0.064 120.463 120.400 -0.001 0.000 2.283 242 D HA 0.310 4.955 4.640 0.009 0.000 0.248 242 D C -0.140 176.182 176.300 0.037 0.000 1.072 242 D CA 0.033 54.068 54.000 0.059 0.000 0.929 242 D CB 1.018 41.858 40.800 0.067 0.000 1.182 242 D HN 0.126 nan 8.370 nan 0.000 0.433 243 F N 1.630 121.606 119.950 0.043 0.000 2.438 243 F HA 0.314 4.847 4.527 0.011 0.000 0.356 243 F C 1.033 176.864 175.800 0.052 0.000 1.099 243 F CA 0.058 58.073 58.000 0.026 0.000 1.185 243 F CB 0.633 39.648 39.000 0.024 0.000 1.115 243 F HN -0.184 nan 8.300 nan 0.000 0.526 244 R N 3.826 124.446 120.500 0.199 0.000 2.651 244 R HA 0.516 4.862 4.340 0.009 0.000 0.278 244 R C -1.273 175.177 176.300 0.250 0.000 1.010 244 R CA -0.836 55.399 56.100 0.225 0.000 0.896 244 R CB 2.295 32.742 30.300 0.246 0.000 1.211 244 R HN 0.619 nan 8.270 nan 0.000 0.456 245 I N 2.160 122.870 120.570 0.233 0.000 2.330 245 I HA 0.162 4.338 4.170 0.009 0.000 0.289 245 I C 0.501 176.827 176.117 0.347 0.000 1.001 245 I CA -0.466 60.967 61.300 0.221 0.000 1.193 245 I CB 1.224 39.300 38.000 0.125 0.000 1.345 245 I HN 0.523 nan 8.210 nan 0.000 0.461 246 W N 3.526 124.868 121.300 0.070 0.000 2.388 246 W HA -0.088 4.577 4.660 0.009 0.000 0.294 246 W C 0.969 177.594 176.519 0.178 0.000 1.212 246 W CA 0.161 57.611 57.345 0.175 0.000 1.271 246 W CB -0.835 28.728 29.460 0.171 0.000 1.126 246 W HN 0.407 nan 8.180 nan 0.000 0.535 247 N N 0.119 118.987 118.700 0.280 0.000 2.492 247 N HA 0.012 4.757 4.740 0.009 0.000 0.260 247 N C 1.329 176.902 175.510 0.105 0.000 1.215 247 N CA 0.848 53.982 53.050 0.140 0.000 0.923 247 N CB 0.749 39.255 38.487 0.033 0.000 1.092 247 N HN -0.085 nan 8.380 nan 0.000 0.448 248 S N 0.900 116.652 115.700 0.088 0.000 2.428 248 S HA -0.057 4.418 4.470 0.009 0.000 0.230 248 S C 0.341 174.938 174.600 -0.004 0.000 1.014 248 S CA 0.734 58.972 58.200 0.064 0.000 0.957 248 S CB 0.052 63.309 63.200 0.095 0.000 0.784 248 S HN 0.657 nan 8.310 nan 0.000 0.499 249 Q N -0.769 119.013 119.800 -0.031 0.000 2.416 249 Q HA 0.493 4.839 4.340 0.009 0.000 0.281 249 Q C 0.136 176.051 176.000 -0.142 0.000 1.067 249 Q CA -0.550 55.193 55.803 -0.100 0.000 0.809 249 Q CB 1.966 30.671 28.738 -0.054 0.000 1.418 249 Q HN 0.133 nan 8.270 nan 0.000 0.411 250 L N 0.150 121.262 121.223 -0.185 0.000 2.201 250 L HA 0.025 4.371 4.340 0.009 0.000 0.212 250 L C 0.353 177.072 176.870 -0.252 0.000 1.105 250 L CA 0.778 55.511 54.840 -0.178 0.000 0.775 250 L CB 0.107 42.058 42.059 -0.181 0.000 0.913 250 L HN 0.243 nan 8.230 nan 0.000 0.440 251 V N 1.045 120.713 119.914 -0.410 0.000 2.407 251 V HA 0.499 4.624 4.120 0.009 0.000 0.291 251 V C -0.430 175.165 176.094 -0.832 0.000 1.018 251 V CA -0.689 61.185 62.300 -0.710 0.000 0.842 251 V CB 1.593 32.742 31.823 -1.124 0.000 0.996 251 V HN 0.147 nan 8.190 nan 0.000 0.426 252 R N 2.965 123.108 120.500 -0.596 0.000 2.626 252 R HA 0.495 4.840 4.340 0.009 0.000 0.274 252 R C -1.666 174.432 176.300 -0.336 0.000 1.031 252 R CA -0.810 55.057 56.100 -0.389 0.000 0.898 252 R CB 1.952 32.157 30.300 -0.160 0.000 1.222 252 R HN 0.555 nan 8.270 nan 0.000 0.455 253 Y N 0.524 120.816 120.300 -0.014 0.000 2.304 253 Y HA 0.467 5.022 4.550 0.010 0.000 0.328 253 Y C 1.127 176.980 175.900 -0.077 0.000 1.123 253 Y CA -0.571 57.528 58.100 -0.001 0.000 1.218 253 Y CB 0.963 39.487 38.460 0.106 0.000 1.207 253 Y HN 0.697 nan 8.280 nan 0.000 0.495 254 A N 1.777 124.613 122.820 0.026 0.000 2.466 254 A HA 0.501 4.826 4.320 0.009 0.000 0.238 254 A C 0.666 178.005 177.584 -0.408 0.000 1.074 254 A CA 0.347 52.237 52.037 -0.245 0.000 0.774 254 A CB -0.293 18.505 19.000 -0.337 0.000 1.015 254 A HN 0.969 nan 8.150 nan 0.000 0.498 255 G N 0.591 109.130 108.800 -0.435 0.000 2.814 255 G HA2 0.530 4.496 3.960 0.009 0.000 0.300 255 G HA3 0.530 4.496 3.960 0.009 0.000 0.300 255 G C -0.962 173.771 174.900 -0.278 0.000 1.406 255 G CA -0.286 44.621 45.100 -0.321 0.000 1.041 255 G HN 0.564 nan 8.290 nan 0.000 0.532 256 Y N 1.696 122.012 120.300 0.027 0.000 2.383 256 Y HA 0.412 4.967 4.550 0.009 0.000 0.344 256 Y C 1.021 176.923 175.900 0.003 0.000 0.986 256 Y CA -1.102 57.014 58.100 0.026 0.000 1.175 256 Y CB 1.202 39.675 38.460 0.022 0.000 1.152 256 Y HN 0.434 nan 8.280 nan 0.000 0.511 257 R N 3.193 123.783 120.500 0.149 0.000 2.484 257 R HA 0.046 4.392 4.340 0.009 0.000 0.293 257 R C -0.367 175.977 176.300 0.074 0.000 1.023 257 R CA 0.096 56.244 56.100 0.080 0.000 1.037 257 R CB 0.255 30.591 30.300 0.059 0.000 0.951 257 R HN 0.560 nan 8.270 nan 0.000 0.418 258 Q N 2.509 122.338 119.800 0.049 0.000 2.193 258 Q HA 0.110 4.456 4.340 0.009 0.000 0.246 258 Q C 0.630 176.641 176.000 0.018 0.000 0.959 258 Q CA -0.558 55.264 55.803 0.032 0.000 0.904 258 Q CB 1.077 29.830 28.738 0.026 0.000 1.238 258 Q HN 0.634 nan 8.270 nan 0.000 0.469 259 Q N 0.835 120.640 119.800 0.008 0.000 2.124 259 Q HA -0.172 4.173 4.340 0.009 0.000 0.202 259 Q C 1.007 177.010 176.000 0.004 0.000 0.977 259 Q CA 1.946 57.750 55.803 0.003 0.000 0.850 259 Q CB -0.028 28.708 28.738 -0.004 0.000 0.901 259 Q HN 0.697 nan 8.270 nan 0.000 0.429 260 D N -1.751 118.652 120.400 0.005 0.000 2.363 260 D HA 0.056 4.702 4.640 0.009 0.000 0.220 260 D C 1.179 177.483 176.300 0.008 0.000 0.994 260 D CA 0.987 54.990 54.000 0.005 0.000 0.890 260 D CB 0.103 40.906 40.800 0.004 0.000 0.906 260 D HN 0.302 nan 8.370 nan 0.000 0.530 261 G N -0.179 108.628 108.800 0.011 0.000 2.259 261 G HA2 -0.290 3.676 3.960 0.009 0.000 0.217 261 G HA3 -0.290 3.676 3.960 0.009 0.000 0.217 261 G C 0.668 175.576 174.900 0.014 0.000 1.001 261 G CA 0.214 45.321 45.100 0.013 0.000 0.627 261 G HN 0.794 nan 8.290 nan 0.000 0.501 262 S N -0.561 115.147 115.700 0.013 0.000 2.641 262 S HA 0.626 5.101 4.470 0.009 0.000 0.251 262 S C 0.179 174.786 174.600 0.012 0.000 1.332 262 S CA 0.408 58.614 58.200 0.010 0.000 0.968 262 S CB 1.741 64.947 63.200 0.008 0.000 0.987 262 S HN 1.245 nan 8.310 nan 0.000 0.587 263 V N 0.751 120.664 119.914 -0.002 0.000 2.709 263 V HA 0.543 4.668 4.120 0.009 0.000 0.308 263 V C -0.144 175.934 176.094 -0.026 0.000 1.062 263 V CA -0.805 61.490 62.300 -0.009 0.000 0.901 263 V CB 1.762 33.562 31.823 -0.039 0.000 1.003 263 V HN 0.927 nan 8.190 nan 0.000 0.425 264 R N 2.545 123.057 120.500 0.019 0.000 2.294 264 R HA 0.694 5.040 4.340 0.009 0.000 0.319 264 R C 0.567 176.829 176.300 -0.063 0.000 0.984 264 R CA 0.886 57.000 56.100 0.023 0.000 0.861 264 R CB 1.185 31.572 30.300 0.144 0.000 1.104 264 R HN 1.208 nan 8.270 nan 0.000 0.451 265 G N 3.009 111.690 108.800 -0.199 0.000 2.516 265 G HA2 -0.247 3.718 3.960 0.009 0.000 0.220 265 G HA3 -0.247 3.718 3.960 0.009 0.000 0.220 265 G C -1.308 173.226 174.900 -0.611 0.000 1.165 265 G CA -0.056 44.847 45.100 -0.328 0.000 1.013 265 G HN 0.622 nan 8.290 nan 0.000 0.590 266 D N 1.728 121.891 120.400 -0.395 0.000 2.412 266 D HA 0.599 5.244 4.640 0.009 0.000 0.224 266 D C -1.089 175.107 176.300 -0.173 0.000 1.093 266 D CA -2.048 51.740 54.000 -0.354 0.000 0.850 266 D CB 1.528 42.395 40.800 0.112 0.000 1.046 266 D HN -0.015 nan 8.370 nan 0.000 0.507 267 P HA -0.116 nan 4.420 nan 0.000 0.218 267 P C 0.904 178.208 177.300 0.007 0.000 1.146 267 P CA 0.969 64.030 63.100 -0.065 0.000 0.813 267 P CB 0.276 31.951 31.700 -0.042 0.000 0.778 268 A N -0.592 122.253 122.820 0.042 0.000 2.067 268 A HA -0.119 4.207 4.320 0.009 0.000 0.219 268 A C 1.478 179.107 177.584 0.075 0.000 1.158 268 A CA 1.301 53.395 52.037 0.095 0.000 0.661 268 A CB -0.799 18.289 19.000 0.147 0.000 0.801 268 A HN 0.167 nan 8.150 nan 0.000 0.452 269 N N -0.250 118.473 118.700 0.038 0.000 2.389 269 N HA 0.183 4.928 4.740 0.009 0.000 0.260 269 N C 0.929 176.423 175.510 -0.027 0.000 1.191 269 N CA 0.079 53.136 53.050 0.012 0.000 0.885 269 N CB 0.830 39.320 38.487 0.005 0.000 1.162 269 N HN 0.186 nan 8.380 nan 0.000 0.512 270 V N 0.823 120.728 119.914 -0.016 0.000 2.261 270 V HA -0.229 3.897 4.120 0.009 0.000 0.246 270 V C 2.464 178.543 176.094 -0.025 0.000 1.047 270 V CA 1.823 64.112 62.300 -0.018 0.000 1.015 270 V CB -0.258 31.565 31.823 -0.000 0.000 0.642 270 V HN 0.393 nan 8.190 nan 0.000 0.446 271 E N -0.103 120.076 120.200 -0.035 0.000 2.031 271 E HA -0.272 4.084 4.350 0.009 0.000 0.193 271 E C 2.143 178.630 176.600 -0.187 0.000 0.994 271 E CA 1.853 58.191 56.400 -0.103 0.000 0.800 271 E CB -0.231 29.416 29.700 -0.088 0.000 0.752 271 E HN 0.465 nan 8.360 nan 0.000 0.447 272 I N 0.862 121.337 120.570 -0.158 0.000 2.361 272 I HA -0.214 3.961 4.170 0.009 0.000 0.251 272 I C 2.043 178.101 176.117 -0.099 0.000 1.133 272 I CA 1.609 62.812 61.300 -0.162 0.000 1.413 272 I CB -0.420 37.540 38.000 -0.068 0.000 1.073 272 I HN 0.117 nan 8.210 nan 0.000 0.424 273 T N 0.534 115.051 114.554 -0.061 0.000 2.737 273 T HA -0.157 4.198 4.350 0.009 0.000 0.265 273 T C 1.705 176.475 174.700 0.116 0.000 1.038 273 T CA 1.782 63.889 62.100 0.012 0.000 1.144 273 T CB -0.262 68.613 68.868 0.012 0.000 0.866 273 T HN 0.493 nan 8.240 nan 0.000 0.434 274 E N 0.844 121.081 120.200 0.061 0.000 2.153 274 E HA -0.027 4.328 4.350 0.009 0.000 0.194 274 E C 2.223 178.859 176.600 0.060 0.000 0.988 274 E CA 0.703 57.145 56.400 0.071 0.000 0.811 274 E CB -0.278 29.434 29.700 0.021 0.000 0.746 274 E HN 0.417 nan 8.360 nan 0.000 0.466 275 L N 0.395 121.619 121.223 0.001 0.000 2.093 275 L HA -0.194 4.152 4.340 0.009 0.000 0.208 275 L C 2.550 179.526 176.870 0.176 0.000 1.085 275 L CA 0.702 55.580 54.840 0.064 0.000 0.755 275 L CB -0.344 41.684 42.059 -0.052 0.000 0.904 275 L HN 0.305 nan 8.230 nan 0.000 0.435 276 C N -0.086 119.278 119.300 0.105 0.000 2.425 276 C HA -0.132 4.334 4.460 0.009 0.000 0.277 276 C C 2.700 177.870 174.990 0.300 0.000 1.280 276 C CA 0.422 59.515 59.018 0.124 0.000 1.744 276 C CB -0.613 27.089 27.740 -0.062 0.000 1.989 276 C HN 0.422 nan 8.230 nan 0.000 0.491 277 I N 0.529 121.293 120.570 0.323 0.000 2.202 277 I HA -0.253 3.922 4.170 0.009 0.000 0.242 277 I C 2.622 178.808 176.117 0.116 0.000 1.091 277 I CA 1.521 62.969 61.300 0.248 0.000 1.368 277 I CB -0.793 37.318 38.000 0.185 0.000 1.058 277 I HN 0.425 nan 8.210 nan 0.000 0.410 278 Q N 0.032 119.876 119.800 0.073 0.000 2.248 278 Q HA -0.198 4.147 4.340 0.009 0.000 0.208 278 Q C 1.192 177.090 176.000 -0.171 0.000 0.984 278 Q CA 1.081 56.854 55.803 -0.051 0.000 0.875 278 Q CB -0.172 28.521 28.738 -0.075 0.000 0.910 278 Q HN 0.626 nan 8.270 nan 0.000 0.433 279 H N -1.396 117.674 119.070 -0.000 0.000 2.537 279 H HA 0.198 4.760 4.556 0.010 0.000 0.295 279 H C 0.834 176.146 175.328 -0.026 0.000 1.054 279 H CA 0.635 56.657 56.048 -0.044 0.000 1.156 279 H CB 0.797 30.493 29.762 -0.110 0.000 1.468 279 H HN 0.455 nan 8.280 nan 0.000 0.551 280 G N 0.884 109.724 108.800 0.066 0.000 2.141 280 G HA2 -0.247 3.719 3.960 0.009 0.000 0.231 280 G HA3 -0.247 3.719 3.960 0.009 0.000 0.231 280 G C -0.124 174.844 174.900 0.113 0.000 0.984 280 G CA 0.023 45.152 45.100 0.049 0.000 0.660 280 G HN 0.422 nan 8.290 nan 0.000 0.525 281 W N 2.213 123.497 121.300 -0.025 0.000 2.287 281 W HA 0.656 5.322 4.660 0.010 0.000 0.313 281 W C 0.233 176.747 176.519 -0.007 0.000 1.267 281 W CA -0.062 57.271 57.345 -0.020 0.000 1.201 281 W CB 0.929 30.387 29.460 -0.003 0.000 1.196 281 W HN 0.036 nan 8.180 nan 0.000 0.536 282 T N 9.757 123.957 114.554 -0.590 0.000 2.782 282 T HA 0.172 4.528 4.350 0.009 0.000 0.298 282 T C -2.038 171.899 174.700 -1.272 0.000 0.944 282 T CA -0.869 60.841 62.100 -0.650 0.000 1.001 282 T CB 0.237 68.887 68.868 -0.363 0.000 0.932 282 T HN 0.246 nan 8.240 nan 0.000 0.524 283 P HA 0.241 nan 4.420 nan 0.000 0.269 283 P C 0.386 177.272 177.300 -0.689 0.000 1.215 283 P CA -0.180 62.167 63.100 -1.255 0.000 0.780 283 P CB 0.903 32.276 31.700 -0.545 0.000 0.898 284 G N 0.892 109.449 108.800 -0.404 0.000 2.736 284 G HA2 0.350 4.315 3.960 0.009 0.000 0.229 284 G HA3 0.350 4.315 3.960 0.009 0.000 0.229 284 G C 0.023 174.633 174.900 -0.483 0.000 1.380 284 G CA -0.693 44.279 45.100 -0.213 0.000 1.040 284 G HN 0.767 nan 8.290 nan 0.000 0.568 285 N N -1.521 117.031 118.700 -0.247 0.000 2.381 285 N HA 0.258 5.004 4.740 0.009 0.000 0.257 285 N C 0.427 175.954 175.510 0.029 0.000 1.409 285 N CA -0.397 52.462 53.050 -0.318 0.000 0.836 285 N CB 0.840 39.175 38.487 -0.254 0.000 1.384 285 N HN 0.661 nan 8.380 nan 0.000 0.490 286 G N 0.454 109.385 108.800 0.219 0.000 2.557 286 G HA2 0.235 4.201 3.960 0.009 0.000 0.302 286 G HA3 0.235 4.201 3.960 0.009 0.000 0.302 286 G C 0.191 175.208 174.900 0.194 0.000 1.311 286 G CA -0.679 44.538 45.100 0.196 0.000 1.030 286 G HN 0.169 nan 8.290 nan 0.000 0.509 287 R N -1.501 119.021 120.500 0.035 0.000 2.254 287 R HA 0.217 4.563 4.340 0.009 0.000 0.195 287 R C -0.050 175.855 176.300 -0.659 0.000 0.957 287 R CA 0.289 56.235 56.100 -0.257 0.000 1.024 287 R CB 0.059 30.164 30.300 -0.326 0.000 0.952 287 R HN 0.389 nan 8.270 nan 0.000 0.484 288 F N 0.879 120.801 119.950 -0.047 0.000 2.623 288 F HA 0.289 4.821 4.527 0.009 0.000 0.361 288 F C -0.924 174.892 175.800 0.026 0.000 1.469 288 F CA -1.049 56.715 58.000 -0.394 0.000 1.126 288 F CB 0.806 39.384 39.000 -0.703 0.000 1.221 288 F HN -0.261 nan 8.300 nan 0.000 0.536 289 D N 1.666 122.253 120.400 0.312 0.000 2.295 289 D HA 0.177 4.823 4.640 0.009 0.000 0.248 289 D C 0.211 176.744 176.300 0.389 0.000 1.154 289 D CA 0.122 54.352 54.000 0.384 0.000 0.857 289 D CB 2.301 43.381 40.800 0.466 0.000 1.117 289 D HN -0.056 nan 8.370 nan 0.000 0.468 290 V N 3.873 123.979 119.914 0.320 0.000 2.529 290 V HA 0.005 4.131 4.120 0.009 0.000 0.292 290 V C 0.956 177.033 176.094 -0.029 0.000 1.028 290 V CA -0.216 62.148 62.300 0.107 0.000 1.074 290 V CB 0.322 32.179 31.823 0.058 0.000 0.958 290 V HN 0.332 nan 8.190 nan 0.000 0.481 291 L N 8.283 129.386 121.223 -0.201 0.000 2.436 291 L HA 0.388 4.733 4.340 0.009 0.000 0.265 291 L C -1.704 174.910 176.870 -0.426 0.000 1.168 291 L CA -1.425 53.140 54.840 -0.458 0.000 0.815 291 L CB 1.066 42.877 42.059 -0.414 0.000 1.109 291 L HN 0.484 nan 8.230 nan 0.000 0.462 292 P HA 0.260 nan 4.420 nan 0.000 0.278 292 P C -1.183 175.955 177.300 -0.271 0.000 1.266 292 P CA -0.537 62.330 63.100 -0.388 0.000 0.807 292 P CB 1.051 32.450 31.700 -0.503 0.000 1.094 293 L N 0.809 121.955 121.223 -0.129 0.000 2.325 293 L HA 0.418 4.763 4.340 0.009 0.000 0.279 293 L C 0.450 177.282 176.870 -0.064 0.000 1.054 293 L CA -0.801 54.005 54.840 -0.058 0.000 0.804 293 L CB 0.669 42.755 42.059 0.045 0.000 1.200 293 L HN 0.208 nan 8.230 nan 0.000 0.436 294 L N 4.913 126.085 121.223 -0.086 0.000 2.277 294 L HA 0.463 4.808 4.340 0.009 0.000 0.284 294 L C -0.622 176.138 176.870 -0.183 0.000 1.028 294 L CA -0.245 54.456 54.840 -0.231 0.000 0.835 294 L CB 0.951 42.793 42.059 -0.361 0.000 1.215 294 L HN 0.447 nan 8.230 nan 0.000 0.425 295 L N 4.025 125.182 121.223 -0.110 0.000 2.317 295 L HA 0.528 4.874 4.340 0.009 0.000 0.281 295 L C -0.291 176.497 176.870 -0.137 0.000 1.024 295 L CA -0.441 54.361 54.840 -0.063 0.000 0.810 295 L CB 1.770 43.821 42.059 -0.013 0.000 1.240 295 L HN 0.558 nan 8.230 nan 0.000 0.427 296 Q N 2.479 122.226 119.800 -0.087 0.000 2.309 296 Q HA 0.675 5.021 4.340 0.009 0.000 0.270 296 Q C -1.199 174.725 176.000 -0.126 0.000 1.023 296 Q CA -0.537 55.213 55.803 -0.089 0.000 0.758 296 Q CB 2.165 30.930 28.738 0.044 0.000 1.247 296 Q HN 0.798 nan 8.270 nan 0.000 0.455 297 A N 4.808 127.504 122.820 -0.207 0.000 2.271 297 A HA 0.677 5.003 4.320 0.009 0.000 0.288 297 A C -2.436 174.890 177.584 -0.430 0.000 1.094 297 A CA -1.649 50.108 52.037 -0.466 0.000 0.828 297 A CB 0.151 18.969 19.000 -0.302 0.000 1.091 297 A HN 0.639 nan 8.150 nan 0.000 0.493 298 P HA 0.046 nan 4.420 nan 0.000 0.261 298 P C -0.705 176.500 177.300 -0.159 0.000 1.183 298 P CA 0.820 63.724 63.100 -0.327 0.000 0.761 298 P CB 0.122 31.633 31.700 -0.316 0.000 0.785 299 D N 0.361 120.711 120.400 -0.084 0.000 2.882 299 D HA -0.195 4.450 4.640 0.009 0.000 0.229 299 D C -0.191 176.090 176.300 -0.032 0.000 1.167 299 D CA 1.301 55.279 54.000 -0.036 0.000 0.759 299 D CB -0.845 39.938 40.800 -0.028 0.000 1.088 299 D HN 0.571 nan 8.370 nan 0.000 0.425 300 E N -0.740 119.433 120.200 -0.045 0.000 2.312 300 E HA 0.673 5.028 4.350 0.009 0.000 0.267 300 E C -0.179 176.406 176.600 -0.025 0.000 0.894 300 E CA -0.882 55.494 56.400 -0.039 0.000 0.773 300 E CB 1.813 31.474 29.700 -0.065 0.000 1.241 300 E HN 0.130 nan 8.360 nan 0.000 0.432 301 A N 2.616 125.422 122.820 -0.024 0.000 2.386 301 A HA 0.370 4.696 4.320 0.009 0.000 0.248 301 A C -2.102 175.387 177.584 -0.158 0.000 1.082 301 A CA -1.037 50.981 52.037 -0.032 0.000 0.789 301 A CB -0.336 18.668 19.000 0.007 0.000 1.025 301 A HN 0.331 nan 8.150 nan 0.000 0.490 302 P HA 0.174 nan 4.420 nan 0.000 0.271 302 P C -0.650 176.389 177.300 -0.434 0.000 1.218 302 P CA 0.178 62.913 63.100 -0.607 0.000 0.780 302 P CB 0.713 31.541 31.700 -1.454 0.000 0.901 303 E N 0.880 120.902 120.200 -0.297 0.000 2.202 303 E HA 0.424 4.779 4.350 0.009 0.000 0.272 303 E C -0.741 175.641 176.600 -0.362 0.000 0.951 303 E CA -1.060 55.169 56.400 -0.284 0.000 0.813 303 E CB 1.402 30.997 29.700 -0.175 0.000 1.151 303 E HN 0.284 nan 8.360 nan 0.000 0.398 304 L N 2.982 123.903 121.223 -0.504 0.000 2.289 304 L HA 0.449 4.794 4.340 0.009 0.000 0.285 304 L C -1.566 174.856 176.870 -0.746 0.000 1.049 304 L CA 0.101 54.678 54.840 -0.438 0.000 0.804 304 L CB 0.252 42.154 42.059 -0.263 0.000 1.195 304 L HN 0.405 nan 8.230 nan 0.000 0.428 305 F N 3.977 123.715 119.950 -0.352 0.000 2.557 305 F HA 0.477 5.011 4.527 0.011 0.000 0.316 305 F C -0.378 175.161 175.800 -0.434 0.000 1.141 305 F CA -0.867 56.791 58.000 -0.571 0.000 0.922 305 F CB 1.940 40.294 39.000 -1.077 0.000 1.194 305 F HN 0.012 nan 8.300 nan 0.000 0.443 306 V N 4.873 124.684 119.914 -0.171 0.000 2.383 306 V HA 0.293 4.419 4.120 0.009 0.000 0.275 306 V C 0.138 176.301 176.094 0.114 0.000 1.036 306 V CA -0.710 61.576 62.300 -0.024 0.000 0.889 306 V CB 1.252 33.100 31.823 0.042 0.000 0.985 306 V HN 0.534 nan 8.190 nan 0.000 0.459 307 L N 7.512 128.837 121.223 0.171 0.000 2.410 307 L HA 0.287 4.633 4.340 0.009 0.000 0.273 307 L C -2.101 174.876 176.870 0.180 0.000 1.152 307 L CA -1.429 53.571 54.840 0.267 0.000 0.855 307 L CB 0.491 42.642 42.059 0.153 0.000 1.129 307 L HN 0.432 nan 8.230 nan 0.000 0.463 308 P HA 0.082 nan 4.420 nan 0.000 0.266 308 P C -1.996 175.354 177.300 0.083 0.000 1.215 308 P CA -0.955 62.219 63.100 0.122 0.000 0.763 308 P CB 0.487 32.251 31.700 0.107 0.000 0.806 309 P HA -0.270 nan 4.420 nan 0.000 0.218 309 P C 1.409 178.739 177.300 0.050 0.000 1.154 309 P CA 1.480 64.620 63.100 0.066 0.000 0.872 309 P CB -0.192 31.549 31.700 0.069 0.000 0.790 310 E N -0.104 120.121 120.200 0.043 0.000 2.333 310 E HA -0.158 4.198 4.350 0.009 0.000 0.198 310 E C 1.688 178.302 176.600 0.024 0.000 1.007 310 E CA 1.122 57.541 56.400 0.030 0.000 0.845 310 E CB -1.073 28.643 29.700 0.025 0.000 0.766 310 E HN 0.334 nan 8.360 nan 0.000 0.507 311 L N 0.793 122.032 121.223 0.027 0.000 2.416 311 L HA 0.104 4.450 4.340 0.009 0.000 0.216 311 L C 0.762 177.645 176.870 0.022 0.000 1.098 311 L CA 0.022 54.873 54.840 0.017 0.000 0.840 311 L CB 0.467 42.528 42.059 0.003 0.000 0.981 311 L HN -0.115 nan 8.230 nan 0.000 0.462 312 V N 2.420 122.350 119.914 0.026 0.000 2.322 312 V HA 0.125 4.250 4.120 0.009 0.000 0.258 312 V C 0.018 176.139 176.094 0.045 0.000 1.074 312 V CA -0.450 61.865 62.300 0.024 0.000 0.909 312 V CB 1.028 32.855 31.823 0.007 0.000 1.090 312 V HN 0.059 nan 8.190 nan 0.000 0.486 313 L N 5.947 127.204 121.223 0.055 0.000 2.361 313 L HA 0.406 4.752 4.340 0.009 0.000 0.278 313 L C 0.244 177.155 176.870 0.068 0.000 1.113 313 L CA 0.769 55.636 54.840 0.045 0.000 0.849 313 L CB 0.272 42.352 42.059 0.035 0.000 1.155 313 L HN 0.646 nan 8.230 nan 0.000 0.452 314 E N 3.363 123.585 120.200 0.035 0.000 2.263 314 E HA 0.600 4.956 4.350 0.009 0.000 0.264 314 E C -1.374 175.180 176.600 -0.078 0.000 0.923 314 E CA -1.065 55.358 56.400 0.037 0.000 0.802 314 E CB 2.446 32.194 29.700 0.080 0.000 1.228 314 E HN 0.353 nan 8.360 nan 0.000 0.417 315 V N 2.862 122.701 119.914 -0.126 0.000 2.376 315 V HA 0.287 4.412 4.120 0.009 0.000 0.287 315 V C -2.421 173.611 176.094 -0.102 0.000 1.015 315 V CA -1.994 60.172 62.300 -0.224 0.000 0.834 315 V CB 1.308 32.769 31.823 -0.603 0.000 1.001 315 V HN 0.522 nan 8.190 nan 0.000 0.428 316 P HA 0.275 nan 4.420 nan 0.000 0.271 316 P C -0.631 176.670 177.300 0.002 0.000 1.216 316 P CA -0.101 62.965 63.100 -0.056 0.000 0.776 316 P CB 0.611 32.285 31.700 -0.042 0.000 0.881 317 L N 3.405 124.663 121.223 0.059 0.000 2.292 317 L HA 0.460 4.805 4.340 0.009 0.000 0.284 317 L C 0.992 178.007 176.870 0.242 0.000 1.065 317 L CA -0.178 54.760 54.840 0.162 0.000 0.806 317 L CB 0.629 42.846 42.059 0.264 0.000 1.175 317 L HN 0.494 nan 8.230 nan 0.000 0.431 318 E N 1.965 122.279 120.200 0.190 0.000 2.416 318 E HA 0.413 4.768 4.350 0.009 0.000 0.273 318 E C -1.383 175.271 176.600 0.091 0.000 0.935 318 E CA -0.944 55.585 56.400 0.215 0.000 0.784 318 E CB 2.321 32.122 29.700 0.167 0.000 1.301 318 E HN 0.475 nan 8.360 nan 0.000 0.454 319 H N 1.559 120.536 119.070 -0.155 0.000 2.472 319 H HA 0.241 4.803 4.556 0.010 0.000 0.338 319 H C -1.786 173.266 175.328 -0.460 0.000 1.133 319 H CA -2.302 53.495 56.048 -0.418 0.000 1.216 319 H CB 2.055 31.453 29.762 -0.606 0.000 1.497 319 H HN 0.421 nan 8.280 nan 0.000 0.500 320 P HA -0.139 nan 4.420 nan 0.000 0.218 320 P C 0.895 178.024 177.300 -0.286 0.000 1.148 320 P CA 1.926 64.496 63.100 -0.883 0.000 0.822 320 P CB 0.426 31.596 31.700 -0.883 0.000 0.784 321 T N -4.444 110.127 114.554 0.029 0.000 2.964 321 T HA 0.207 4.562 4.350 0.009 0.000 0.250 321 T C 0.926 175.595 174.700 -0.051 0.000 0.982 321 T CA -0.240 61.876 62.100 0.027 0.000 0.959 321 T CB -0.563 68.329 68.868 0.039 0.000 1.141 321 T HN -0.057 nan 8.240 nan 0.000 0.494 322 L N 2.913 124.018 121.223 -0.197 0.000 2.401 322 L HA 0.362 4.707 4.340 0.009 0.000 0.283 322 L C 1.184 177.688 176.870 -0.610 0.000 1.151 322 L CA -0.303 54.128 54.840 -0.683 0.000 0.942 322 L CB 0.331 41.551 42.059 -1.397 0.000 1.283 322 L HN 0.268 nan 8.230 nan 0.000 0.442 323 E N 3.046 123.070 120.200 -0.295 0.000 2.267 323 E HA -0.207 4.149 4.350 0.009 0.000 0.197 323 E C 1.500 178.074 176.600 -0.042 0.000 0.998 323 E CA 1.397 57.735 56.400 -0.103 0.000 0.830 323 E CB 0.028 29.736 29.700 0.013 0.000 0.751 323 E HN 0.820 nan 8.360 nan 0.000 0.491 324 W N -0.244 121.106 121.300 0.085 0.000 2.584 324 W HA 0.021 4.687 4.660 0.010 0.000 0.264 324 W C 1.479 178.049 176.519 0.084 0.000 1.264 324 W CA -0.258 57.124 57.345 0.063 0.000 1.306 324 W CB -0.912 28.563 29.460 0.024 0.000 1.110 324 W HN -0.061 nan 8.180 nan 0.000 0.606 325 F N 2.983 122.689 119.950 -0.407 0.000 2.154 325 F HA -0.184 4.349 4.527 0.009 0.000 0.301 325 F C 2.689 178.506 175.800 0.028 0.000 1.087 325 F CA 3.060 60.936 58.000 -0.207 0.000 1.274 325 F CB -0.466 38.283 39.000 -0.417 0.000 1.009 325 F HN -0.075 nan 8.300 nan 0.000 0.485 326 A N -0.186 122.763 122.820 0.216 0.000 2.019 326 A HA -0.041 4.284 4.320 0.009 0.000 0.219 326 A C 2.240 179.887 177.584 0.105 0.000 1.164 326 A CA 1.363 53.499 52.037 0.166 0.000 0.644 326 A CB -1.301 17.774 19.000 0.125 0.000 0.805 326 A HN 0.416 nan 8.150 nan 0.000 0.449 327 A N -1.009 121.881 122.820 0.116 0.000 2.168 327 A HA 0.151 4.477 4.320 0.009 0.000 0.215 327 A C 1.742 179.366 177.584 0.066 0.000 1.152 327 A CA 1.010 53.105 52.037 0.097 0.000 0.716 327 A CB -0.363 18.713 19.000 0.125 0.000 0.794 327 A HN 0.364 nan 8.150 nan 0.000 0.465 328 L N -0.797 120.445 121.223 0.031 0.000 2.275 328 L HA 0.072 4.417 4.340 0.009 0.000 0.215 328 L C 1.856 178.740 176.870 0.024 0.000 1.119 328 L CA 1.280 56.109 54.840 -0.019 0.000 0.790 328 L CB -1.137 40.802 42.059 -0.200 0.000 0.919 328 L HN 0.657 nan 8.230 nan 0.000 0.443 329 G N -0.414 108.402 108.800 0.028 0.000 2.221 329 G HA2 -0.280 3.686 3.960 0.009 0.000 0.265 329 G HA3 -0.280 3.686 3.960 0.009 0.000 0.265 329 G C 0.292 175.183 174.900 -0.015 0.000 1.041 329 G CA 0.396 45.514 45.100 0.030 0.000 0.807 329 G HN 0.308 nan 8.290 nan 0.000 0.502 330 L N -0.520 120.676 121.223 -0.046 0.000 2.399 330 L HA 0.869 5.215 4.340 0.009 0.000 0.265 330 L C 1.029 177.703 176.870 -0.327 0.000 1.089 330 L CA -0.870 53.878 54.840 -0.152 0.000 0.802 330 L CB 1.218 43.299 42.059 0.036 0.000 1.180 330 L HN 0.582 nan 8.230 nan 0.000 0.454 331 R N 0.882 120.995 120.500 -0.647 0.000 2.728 331 R HA 0.464 4.810 4.340 0.009 0.000 0.274 331 R C -2.233 173.978 176.300 -0.148 0.000 1.030 331 R CA -1.006 54.860 56.100 -0.390 0.000 0.876 331 R CB 1.688 31.689 30.300 -0.498 0.000 1.259 331 R HN 0.660 nan 8.270 nan 0.000 0.468 332 W N 1.665 122.919 121.300 -0.078 0.000 3.137 332 W HA 0.370 5.035 4.660 0.009 0.000 0.324 332 W C -1.268 175.350 176.519 0.165 0.000 1.253 332 W CA -0.979 56.420 57.345 0.090 0.000 1.183 332 W CB 2.023 31.452 29.460 -0.051 0.000 1.424 332 W HN 0.691 nan 8.180 nan 0.000 0.566 333 Y N 1.099 121.352 120.300 -0.079 0.000 2.301 333 Y HA 0.572 5.127 4.550 0.009 0.000 0.328 333 Y C 0.794 176.954 175.900 0.432 0.000 1.242 333 Y CA 0.023 58.167 58.100 0.074 0.000 1.323 333 Y CB 0.291 38.663 38.460 -0.145 0.000 1.266 333 Y HN 0.358 nan 8.280 nan 0.000 0.527 334 A N 2.357 125.456 122.820 0.465 0.000 1.929 334 A HA 0.018 4.344 4.320 0.009 0.000 0.216 334 A C 0.621 178.560 177.584 0.592 0.000 1.176 334 A CA 0.541 52.887 52.037 0.516 0.000 0.628 334 A CB -0.401 18.737 19.000 0.231 0.000 0.816 334 A HN 0.681 nan 8.150 nan 0.000 0.444 335 L N 1.918 123.442 121.223 0.502 0.000 2.260 335 L HA 0.385 4.730 4.340 0.009 0.000 0.289 335 L C -2.467 174.575 176.870 0.287 0.000 1.057 335 L CA -2.157 52.881 54.840 0.330 0.000 0.811 335 L CB 1.390 43.569 42.059 0.199 0.000 1.184 335 L HN 0.014 nan 8.230 nan 0.000 0.429 336 P HA 0.294 nan 4.420 nan 0.000 0.284 336 P C -1.398 175.812 177.300 -0.151 0.000 1.432 336 P CA -0.343 62.637 63.100 -0.200 0.000 0.929 336 P CB 1.154 32.320 31.700 -0.890 0.000 1.158 337 A N 4.655 127.395 122.820 -0.134 0.000 2.399 337 A HA 0.422 4.748 4.320 0.009 0.000 0.327 337 A C -0.027 177.331 177.584 -0.377 0.000 1.367 337 A CA -0.664 51.214 52.037 -0.264 0.000 0.842 337 A CB 0.611 19.468 19.000 -0.238 0.000 1.142 337 A HN 0.301 nan 8.150 nan 0.000 0.495 338 V N 2.918 122.434 119.914 -0.663 0.000 2.508 338 V HA 0.250 4.375 4.120 0.009 0.000 0.281 338 V C 1.188 176.880 176.094 -0.670 0.000 1.041 338 V CA 1.076 62.950 62.300 -0.709 0.000 1.016 338 V CB 1.088 32.274 31.823 -1.062 0.000 0.984 338 V HN 1.060 nan 8.190 nan 0.000 0.478 339 S N 1.640 117.154 115.700 -0.310 0.000 2.780 339 S HA 0.062 4.538 4.470 0.009 0.000 0.248 339 S C 0.733 175.322 174.600 -0.019 0.000 1.036 339 S CA 0.064 58.171 58.200 -0.154 0.000 1.061 339 S CB -0.433 62.712 63.200 -0.091 0.000 1.037 339 S HN 0.918 nan 8.310 nan 0.000 0.584 340 N N 0.383 119.082 118.700 -0.002 0.000 2.187 340 N HA 0.312 5.057 4.740 0.009 0.000 0.212 340 N C 0.095 175.672 175.510 0.111 0.000 1.152 340 N CA -0.521 52.568 53.050 0.064 0.000 0.872 340 N CB 0.129 38.654 38.487 0.063 0.000 1.025 340 N HN 0.256 nan 8.380 nan 0.000 0.514 341 M N 1.379 121.062 119.600 0.138 0.000 2.342 341 M HA 0.308 4.793 4.480 0.009 0.000 0.332 341 M C -0.588 175.860 176.300 0.248 0.000 1.166 341 M CA -0.793 54.636 55.300 0.214 0.000 1.086 341 M CB 2.388 35.145 32.600 0.262 0.000 1.541 341 M HN 0.139 nan 8.290 nan 0.000 0.462 342 L N 3.153 124.505 121.223 0.216 0.000 2.289 342 L HA 0.495 4.840 4.340 0.009 0.000 0.285 342 L C -1.251 175.739 176.870 0.200 0.000 1.049 342 L CA -0.926 54.028 54.840 0.191 0.000 0.804 342 L CB 1.104 43.227 42.059 0.107 0.000 1.195 342 L HN 0.584 nan 8.230 nan 0.000 0.428 343 L N 5.374 126.712 121.223 0.192 0.000 2.257 343 L HA 0.431 4.777 4.340 0.009 0.000 0.290 343 L C -0.449 176.437 176.870 0.027 0.000 1.044 343 L CA 0.271 55.109 54.840 -0.003 0.000 0.810 343 L CB 1.036 43.082 42.059 -0.022 0.000 1.193 343 L HN 0.608 nan 8.230 nan 0.000 0.425 344 E N 6.574 126.708 120.200 -0.110 0.000 2.151 344 E HA 0.417 4.773 4.350 0.009 0.000 0.275 344 E C -1.562 174.944 176.600 -0.156 0.000 0.936 344 E CA -0.442 55.909 56.400 -0.082 0.000 0.777 344 E CB 1.148 30.800 29.700 -0.079 0.000 1.108 344 E HN 0.733 nan 8.360 nan 0.000 0.401 345 I N 2.532 123.013 120.570 -0.150 0.000 2.500 345 I HA 0.261 4.436 4.170 0.009 0.000 0.286 345 I C 0.749 176.652 176.117 -0.355 0.000 1.063 345 I CA -0.703 60.382 61.300 -0.359 0.000 1.062 345 I CB 2.024 39.724 38.000 -0.499 0.000 1.223 345 I HN 0.775 nan 8.210 nan 0.000 0.435 346 G N 4.157 112.809 108.800 -0.246 0.000 2.341 346 G HA2 -0.110 3.856 3.960 0.009 0.000 0.292 346 G HA3 -0.110 3.856 3.960 0.009 0.000 0.292 346 G C 1.043 176.027 174.900 0.141 0.000 1.021 346 G CA 0.824 45.972 45.100 0.080 0.000 0.905 346 G HN 1.574 nan 8.290 nan 0.000 0.508 347 G N -1.800 107.021 108.800 0.035 0.000 2.299 347 G HA2 -0.256 3.710 3.960 0.009 0.000 0.237 347 G HA3 -0.256 3.710 3.960 0.009 0.000 0.237 347 G C 0.622 175.486 174.900 -0.061 0.000 1.027 347 G CA 0.437 45.555 45.100 0.030 0.000 0.619 347 G HN 1.300 nan 8.290 nan 0.000 0.513 348 L N 1.030 122.161 121.223 -0.152 0.000 2.439 348 L HA 0.502 4.848 4.340 0.009 0.000 0.269 348 L C 0.371 177.045 176.870 -0.327 0.000 1.179 348 L CA 0.043 54.677 54.840 -0.344 0.000 0.828 348 L CB 0.721 42.458 42.059 -0.537 0.000 1.106 348 L HN 0.241 nan 8.230 nan 0.000 0.467 349 E N 2.651 122.595 120.200 -0.427 0.000 2.185 349 E HA 0.312 4.667 4.350 0.009 0.000 0.261 349 E C -1.439 174.919 176.600 -0.403 0.000 0.879 349 E CA -0.361 55.866 56.400 -0.288 0.000 0.756 349 E CB 1.403 31.013 29.700 -0.150 0.000 1.152 349 E HN 0.275 nan 8.360 nan 0.000 0.416 350 F N 2.243 122.160 119.950 -0.056 0.000 2.351 350 F HA 0.074 4.607 4.527 0.011 0.000 0.362 350 F C 1.691 177.525 175.800 0.056 0.000 1.131 350 F CA -0.404 57.590 58.000 -0.011 0.000 1.187 350 F CB 0.810 39.786 39.000 -0.039 0.000 1.434 350 F HN 0.431 nan 8.300 nan 0.000 0.553 351 S N 1.388 117.189 115.700 0.167 0.000 2.442 351 S HA 0.057 4.532 4.470 0.009 0.000 0.236 351 S C 0.900 175.632 174.600 0.220 0.000 1.007 351 S CA 0.456 58.754 58.200 0.164 0.000 0.965 351 S CB -0.037 63.237 63.200 0.123 0.000 0.773 351 S HN 0.477 nan 8.310 nan 0.000 0.504 352 A N 0.461 123.458 122.820 0.295 0.000 2.363 352 A HA 0.832 5.157 4.320 0.009 0.000 0.296 352 A C -0.165 177.669 177.584 0.418 0.000 1.237 352 A CA -0.192 52.054 52.037 0.349 0.000 0.773 352 A CB 0.969 20.181 19.000 0.354 0.000 1.153 352 A HN 1.061 nan 8.150 nan 0.000 0.473 353 A N 4.269 127.278 122.820 0.315 0.000 3.277 353 A HA 0.610 4.936 4.320 0.009 0.000 0.281 353 A C -3.022 174.686 177.584 0.206 0.000 1.179 353 A CA -0.872 51.296 52.037 0.218 0.000 0.879 353 A CB 0.379 19.500 19.000 0.201 0.000 1.374 353 A HN 0.529 nan 8.150 nan 0.000 0.590 354 P HA 0.392 nan 4.420 nan 0.000 0.265 354 P C -0.721 176.578 177.300 -0.001 0.000 1.193 354 P CA 0.479 63.538 63.100 -0.069 0.000 0.765 354 P CB 0.258 31.872 31.700 -0.143 0.000 0.823 355 F N -0.087 119.793 119.950 -0.118 0.000 2.588 355 F HA 0.781 5.313 4.527 0.008 0.000 0.314 355 F C -0.721 174.979 175.800 -0.168 0.000 1.069 355 F CA -1.236 56.691 58.000 -0.123 0.000 0.931 355 F CB 1.702 40.511 39.000 -0.318 0.000 1.260 355 F HN 0.421 nan 8.300 nan 0.000 0.465 356 S N 0.429 116.209 115.700 0.134 0.000 2.550 356 S HA 0.913 5.389 4.470 0.009 0.000 0.270 356 S C -0.758 173.799 174.600 -0.072 0.000 1.145 356 S CA -0.170 58.040 58.200 0.018 0.000 0.852 356 S CB 1.411 64.680 63.200 0.116 0.000 1.119 356 S HN 1.460 nan 8.310 nan 0.000 0.465 357 G N 0.200 108.905 108.800 -0.159 0.000 3.259 357 G HA2 0.752 4.717 3.960 0.009 0.000 0.193 357 G HA3 0.752 4.717 3.960 0.009 0.000 0.193 357 G C -1.337 173.551 174.900 -0.020 0.000 1.457 357 G CA -0.218 44.712 45.100 -0.285 0.000 0.771 357 G HN 1.186 nan 8.290 nan 0.000 0.765 358 W N -1.644 119.660 121.300 0.007 0.000 3.075 358 W HA 0.798 5.463 4.660 0.007 0.000 0.334 358 W C -1.850 174.678 176.519 0.015 0.000 1.243 358 W CA -2.164 55.205 57.345 0.039 0.000 1.170 358 W CB 0.395 29.925 29.460 0.116 0.000 1.452 358 W HN 0.376 nan 8.180 nan 0.000 0.572 359 Y N 2.584 123.086 120.300 0.337 0.000 2.336 359 Y HA 0.345 4.901 4.550 0.010 0.000 0.331 359 Y C 0.823 176.799 175.900 0.126 0.000 1.211 359 Y CA -0.726 57.453 58.100 0.132 0.000 1.346 359 Y CB 1.261 39.708 38.460 -0.021 0.000 1.271 359 Y HN 0.457 nan 8.280 nan 0.000 0.538 360 M N 2.095 121.854 119.600 0.264 0.000 2.238 360 M HA 0.206 4.692 4.480 0.009 0.000 0.350 360 M C 1.042 177.347 176.300 0.008 0.000 1.138 360 M CA -0.238 55.145 55.300 0.138 0.000 1.040 360 M CB 1.115 33.773 32.600 0.095 0.000 1.639 360 M HN 0.831 nan 8.290 nan 0.000 0.451 361 S N 1.352 117.013 115.700 -0.065 0.000 2.392 361 S HA -0.205 4.271 4.470 0.009 0.000 0.232 361 S C 1.503 175.962 174.600 -0.234 0.000 1.041 361 S CA 2.181 60.259 58.200 -0.203 0.000 1.026 361 S CB -1.406 61.711 63.200 -0.138 0.000 0.845 361 S HN 0.932 nan 8.310 nan 0.000 0.465 362 T N -0.136 114.314 114.554 -0.174 0.000 2.929 362 T HA -0.015 4.340 4.350 0.009 0.000 0.271 362 T C 1.555 176.105 174.700 -0.250 0.000 1.085 362 T CA 1.221 63.174 62.100 -0.245 0.000 1.125 362 T CB -0.568 68.120 68.868 -0.300 0.000 0.874 362 T HN 0.598 nan 8.240 nan 0.000 0.494 363 E N 0.751 120.822 120.200 -0.215 0.000 2.110 363 E HA -0.024 4.331 4.350 0.009 0.000 0.193 363 E C 2.019 178.347 176.600 -0.453 0.000 0.988 363 E CA 1.298 57.573 56.400 -0.209 0.000 0.804 363 E CB -0.223 29.482 29.700 0.008 0.000 0.745 363 E HN 0.603 nan 8.360 nan 0.000 0.458 364 I N -0.134 120.036 120.570 -0.666 0.000 2.364 364 I HA -0.039 4.137 4.170 0.009 0.000 0.241 364 I C 2.545 178.312 176.117 -0.584 0.000 1.082 364 I CA 0.860 61.601 61.300 -0.932 0.000 1.401 364 I CB -0.437 36.917 38.000 -1.076 0.000 1.126 364 I HN 0.099 nan 8.210 nan 0.000 0.429 365 G N 0.074 108.634 108.800 -0.401 0.000 2.422 365 G HA2 -0.144 3.821 3.960 0.009 0.000 0.218 365 G HA3 -0.144 3.821 3.960 0.009 0.000 0.218 365 G C 1.587 176.375 174.900 -0.186 0.000 1.140 365 G CA 1.389 46.346 45.100 -0.237 0.000 0.775 365 G HN 0.289 nan 8.290 nan 0.000 0.545 366 T N -0.241 114.179 114.554 -0.224 0.000 3.053 366 T HA 0.115 4.470 4.350 0.009 0.000 0.236 366 T C 2.508 177.101 174.700 -0.179 0.000 0.996 366 T CA 0.129 62.118 62.100 -0.185 0.000 1.185 366 T CB 0.127 68.868 68.868 -0.212 0.000 0.892 366 T HN -0.003 nan 8.240 nan 0.000 0.432 367 R N 2.187 122.561 120.500 -0.209 0.000 2.060 367 R HA 0.143 4.488 4.340 0.009 0.000 0.225 367 R C 2.149 178.339 176.300 -0.183 0.000 1.155 367 R CA 1.131 57.120 56.100 -0.185 0.000 0.930 367 R CB -1.262 28.939 30.300 -0.165 0.000 0.829 367 R HN 0.320 nan 8.270 nan 0.000 0.433 368 N N 0.993 119.537 118.700 -0.259 0.000 2.166 368 N HA -0.093 4.652 4.740 0.009 0.000 0.186 368 N C 1.921 177.387 175.510 -0.073 0.000 1.019 368 N CA 1.018 53.929 53.050 -0.232 0.000 0.856 368 N CB -0.169 37.881 38.487 -0.729 0.000 0.993 368 N HN 0.210 nan 8.380 nan 0.000 0.426 369 L N -0.919 120.207 121.223 -0.161 0.000 2.298 369 L HA 0.095 4.440 4.340 0.009 0.000 0.209 369 L C 1.321 178.225 176.870 0.056 0.000 1.084 369 L CA 0.421 55.258 54.840 -0.005 0.000 0.816 369 L CB 0.198 42.220 42.059 -0.062 0.000 0.967 369 L HN 0.150 nan 8.230 nan 0.000 0.460 370 C N -1.561 117.727 119.300 -0.019 0.000 3.065 370 C HA 0.174 4.639 4.460 0.009 0.000 0.285 370 C C 0.705 175.671 174.990 -0.040 0.000 1.257 370 C CA -0.918 58.095 59.018 -0.008 0.000 1.691 370 C CB -0.249 27.474 27.740 -0.028 0.000 2.089 370 C HN 0.293 nan 8.230 nan 0.000 0.630 371 D N 3.011 123.352 120.400 -0.099 0.000 2.472 371 D HA 0.034 4.680 4.640 0.009 0.000 0.237 371 D C -1.017 175.208 176.300 -0.125 0.000 1.141 371 D CA -1.214 52.682 54.000 -0.173 0.000 0.875 371 D CB 0.666 41.219 40.800 -0.411 0.000 1.192 371 D HN 0.198 nan 8.370 nan 0.000 0.450 372 P HA -0.172 nan 4.420 nan 0.000 0.218 372 P C 0.702 178.052 177.300 0.083 0.000 1.148 372 P CA 1.408 64.549 63.100 0.069 0.000 0.822 372 P CB -0.026 31.751 31.700 0.129 0.000 0.784 373 H N -2.412 116.668 119.070 0.016 0.000 2.517 373 H HA 0.354 4.915 4.556 0.009 0.000 0.282 373 H C 0.990 176.324 175.328 0.010 0.000 1.023 373 H CA -0.279 55.776 56.048 0.011 0.000 1.169 373 H CB -0.042 29.727 29.762 0.012 0.000 1.454 373 H HN -0.014 nan 8.280 nan 0.000 0.556 374 R N -0.128 120.259 120.500 -0.190 0.000 3.006 374 R HA 0.179 4.525 4.340 0.009 0.000 0.150 374 R C 1.161 177.417 176.300 -0.073 0.000 1.285 374 R CA -0.740 55.294 56.100 -0.111 0.000 0.813 374 R CB -0.829 29.422 30.300 -0.081 0.000 1.582 374 R HN 0.087 nan 8.270 nan 0.000 0.441 375 Y N 1.579 121.894 120.300 0.025 0.000 2.333 375 Y HA -0.067 4.488 4.550 0.009 0.000 0.290 375 Y C 0.776 176.699 175.900 0.038 0.000 1.144 375 Y CA 1.467 59.598 58.100 0.051 0.000 1.228 375 Y CB -0.279 38.252 38.460 0.118 0.000 0.985 375 Y HN 0.563 nan 8.280 nan 0.000 0.542 376 N N 0.754 119.537 118.700 0.138 0.000 2.705 376 N HA -0.223 4.522 4.740 0.009 0.000 0.255 376 N C 0.476 176.065 175.510 0.132 0.000 1.008 376 N CA 0.320 53.430 53.050 0.100 0.000 0.742 376 N CB -1.020 37.508 38.487 0.068 0.000 0.906 376 N HN 0.610 nan 8.380 nan 0.000 0.541 377 I N -3.142 117.521 120.570 0.154 0.000 3.793 377 I HA 0.022 4.198 4.170 0.009 0.000 0.315 377 I C 1.750 177.961 176.117 0.158 0.000 1.275 377 I CA -0.399 60.992 61.300 0.151 0.000 1.214 377 I CB -0.004 38.090 38.000 0.158 0.000 1.018 377 I HN 0.113 nan 8.210 nan 0.000 0.439 378 L N 1.852 123.175 121.223 0.166 0.000 1.990 378 L HA -0.253 4.093 4.340 0.009 0.000 0.213 378 L C 2.633 179.710 176.870 0.346 0.000 1.072 378 L CA 2.240 57.211 54.840 0.218 0.000 0.755 378 L CB -0.964 41.184 42.059 0.148 0.000 0.889 378 L HN 0.504 nan 8.230 nan 0.000 0.432 379 E N -1.083 119.330 120.200 0.354 0.000 2.077 379 E HA -0.239 4.116 4.350 0.009 0.000 0.193 379 E C 1.725 178.373 176.600 0.081 0.000 0.989 379 E CA 1.386 57.931 56.400 0.243 0.000 0.800 379 E CB 0.033 29.810 29.700 0.128 0.000 0.746 379 E HN 0.515 nan 8.360 nan 0.000 0.452 380 D N -0.027 120.420 120.400 0.078 0.000 2.097 380 D HA -0.147 4.499 4.640 0.009 0.000 0.195 380 D C 2.071 178.377 176.300 0.010 0.000 0.989 380 D CA 1.097 55.109 54.000 0.019 0.000 0.827 380 D CB -0.237 40.580 40.800 0.029 0.000 0.966 380 D HN 0.128 nan 8.370 nan 0.000 0.456 381 V N 1.479 121.452 119.914 0.099 0.000 2.427 381 V HA -0.200 3.926 4.120 0.009 0.000 0.248 381 V C 2.535 178.719 176.094 0.151 0.000 1.051 381 V CA 1.660 64.064 62.300 0.174 0.000 1.048 381 V CB -0.752 31.252 31.823 0.302 0.000 0.666 381 V HN 0.169 nan 8.190 nan 0.000 0.456 382 A N -0.124 122.801 122.820 0.175 0.000 1.902 382 A HA -0.160 4.165 4.320 0.009 0.000 0.217 382 A C 2.406 179.975 177.584 -0.024 0.000 1.181 382 A CA 2.053 54.187 52.037 0.162 0.000 0.623 382 A CB -0.713 18.479 19.000 0.320 0.000 0.818 382 A HN 0.323 nan 8.150 nan 0.000 0.443 383 V N -0.687 119.166 119.914 -0.102 0.000 2.332 383 V HA -0.346 3.780 4.120 0.009 0.000 0.248 383 V C 2.641 178.589 176.094 -0.244 0.000 1.055 383 V CA 2.129 64.324 62.300 -0.174 0.000 1.038 383 V CB -1.089 30.634 31.823 -0.167 0.000 0.651 383 V HN 0.717 nan 8.190 nan 0.000 0.450 384 C N -0.476 118.616 119.300 -0.348 0.000 2.422 384 C HA -0.131 4.335 4.460 0.009 0.000 0.279 384 C C 2.546 177.100 174.990 -0.728 0.000 1.305 384 C CA 0.976 59.547 59.018 -0.745 0.000 1.757 384 C CB -1.056 25.931 27.740 -1.254 0.000 1.962 384 C HN 0.538 nan 8.230 nan 0.000 0.499 385 M N -0.045 119.382 119.600 -0.288 0.000 2.561 385 M HA 0.066 4.551 4.480 0.009 0.000 0.238 385 M C 0.410 176.686 176.300 -0.040 0.000 1.131 385 M CA 0.660 55.950 55.300 -0.017 0.000 1.046 385 M CB -0.462 32.243 32.600 0.174 0.000 1.532 385 M HN 0.227 nan 8.290 nan 0.000 0.497 386 D N 1.662 121.991 120.400 -0.119 0.000 2.689 386 D HA -0.155 4.491 4.640 0.009 0.000 0.237 386 D C -1.002 175.268 176.300 -0.049 0.000 1.148 386 D CA 0.497 54.440 54.000 -0.095 0.000 0.656 386 D CB -0.714 40.037 40.800 -0.081 0.000 1.050 386 D HN 0.326 nan 8.370 nan 0.000 0.426 387 L N -0.262 120.936 121.223 -0.041 0.000 2.387 387 L HA 0.440 4.785 4.340 0.009 0.000 0.266 387 L C 0.829 177.644 176.870 -0.092 0.000 1.059 387 L CA -0.981 53.858 54.840 -0.002 0.000 0.801 387 L CB 0.823 42.947 42.059 0.108 0.000 1.223 387 L HN -0.028 nan 8.230 nan 0.000 0.456 388 D N 0.408 120.772 120.400 -0.060 0.000 2.435 388 D HA 0.027 4.673 4.640 0.009 0.000 0.230 388 D C 1.018 177.122 176.300 -0.327 0.000 1.215 388 D CA -0.215 53.706 54.000 -0.132 0.000 0.947 388 D CB 0.720 41.499 40.800 -0.035 0.000 1.048 388 D HN 0.593 nan 8.370 nan 0.000 0.512 389 T N 0.576 114.732 114.554 -0.663 0.000 3.194 389 T HA 0.065 4.421 4.350 0.009 0.000 0.251 389 T C 1.432 175.738 174.700 -0.658 0.000 1.132 389 T CA 0.117 61.361 62.100 -1.428 0.000 1.028 389 T CB -0.024 67.947 68.868 -1.495 0.000 0.976 389 T HN 0.228 nan 8.240 nan 0.000 0.535 390 R N 0.326 120.648 120.500 -0.297 0.000 2.246 390 R HA 0.240 4.586 4.340 0.009 0.000 0.199 390 R C 0.845 177.152 176.300 0.011 0.000 0.984 390 R CA 0.399 56.431 56.100 -0.112 0.000 1.015 390 R CB 0.310 30.558 30.300 -0.087 0.000 0.930 390 R HN 0.332 nan 8.270 nan 0.000 0.475 391 T N -1.256 113.344 114.554 0.076 0.000 2.912 391 T HA 0.130 4.485 4.350 0.009 0.000 0.299 391 T C 1.113 175.990 174.700 0.295 0.000 1.052 391 T CA -0.587 61.604 62.100 0.152 0.000 0.996 391 T CB 1.712 70.635 68.868 0.092 0.000 1.070 391 T HN 0.203 nan 8.240 nan 0.000 0.465 392 T N 0.708 115.394 114.554 0.220 0.000 2.821 392 T HA -0.088 4.267 4.350 0.009 0.000 0.267 392 T C 2.078 176.843 174.700 0.109 0.000 1.046 392 T CA 1.618 63.816 62.100 0.163 0.000 1.139 392 T CB -0.738 68.174 68.868 0.074 0.000 0.871 392 T HN 0.681 nan 8.240 nan 0.000 0.454 393 S N 2.094 117.851 115.700 0.095 0.000 2.595 393 S HA -0.046 4.429 4.470 0.009 0.000 0.235 393 S C 2.063 176.714 174.600 0.084 0.000 0.974 393 S CA 0.767 59.008 58.200 0.068 0.000 0.942 393 S CB -0.902 62.329 63.200 0.052 0.000 0.766 393 S HN 0.773 nan 8.310 nan 0.000 0.536 394 S N 1.556 117.342 115.700 0.144 0.000 2.496 394 S HA 0.233 4.708 4.470 0.009 0.000 0.224 394 S C 0.934 175.623 174.600 0.148 0.000 0.996 394 S CA 0.108 58.400 58.200 0.154 0.000 0.927 394 S CB -0.929 62.396 63.200 0.209 0.000 0.774 394 S HN 0.609 nan 8.310 nan 0.000 0.524 395 L N 1.216 122.502 121.223 0.105 0.000 3.634 395 L HA -0.163 4.183 4.340 0.009 0.000 0.423 395 L C 1.537 178.429 176.870 0.036 0.000 1.253 395 L CA 0.615 55.456 54.840 0.002 0.000 0.885 395 L CB -2.346 39.717 42.059 0.007 0.000 1.789 395 L HN 0.737 nan 8.230 nan 0.000 0.904 396 W N -0.175 121.137 121.300 0.020 0.000 2.388 396 W HA -0.111 4.555 4.660 0.009 0.000 0.294 396 W C 1.711 178.249 176.519 0.031 0.000 1.212 396 W CA 1.210 58.570 57.345 0.025 0.000 1.271 396 W CB -0.669 28.802 29.460 0.018 0.000 1.126 396 W HN 0.281 nan 8.180 nan 0.000 0.535 397 K N 1.066 121.048 120.400 -0.697 0.000 2.057 397 K HA -0.154 4.172 4.320 0.009 0.000 0.206 397 K C 1.530 177.991 176.600 -0.231 0.000 1.050 397 K CA 2.298 58.208 56.287 -0.629 0.000 0.935 397 K CB -0.341 31.632 32.500 -0.878 0.000 0.715 397 K HN 0.030 nan 8.250 nan 0.000 0.439 398 D N 0.704 120.991 120.400 -0.189 0.000 2.117 398 D HA -0.125 4.521 4.640 0.009 0.000 0.197 398 D C 1.687 177.979 176.300 -0.013 0.000 0.987 398 D CA 1.223 55.170 54.000 -0.089 0.000 0.829 398 D CB 0.051 40.808 40.800 -0.073 0.000 0.961 398 D HN 0.115 nan 8.370 nan 0.000 0.460 399 K N 0.470 120.889 120.400 0.032 0.000 2.026 399 K HA -0.032 4.294 4.320 0.009 0.000 0.208 399 K C 2.218 178.886 176.600 0.113 0.000 1.048 399 K CA 1.163 57.500 56.287 0.083 0.000 0.929 399 K CB -0.170 32.401 32.500 0.119 0.000 0.713 399 K HN 0.083 nan 8.250 nan 0.000 0.439 400 A N 1.570 124.478 122.820 0.146 0.000 1.902 400 A HA -0.117 4.208 4.320 0.009 0.000 0.217 400 A C 2.395 180.063 177.584 0.141 0.000 1.181 400 A CA 1.833 53.986 52.037 0.192 0.000 0.623 400 A CB -0.767 18.381 19.000 0.247 0.000 0.818 400 A HN 0.338 nan 8.150 nan 0.000 0.443 401 A N -0.498 122.361 122.820 0.064 0.000 1.917 401 A HA -0.071 4.255 4.320 0.009 0.000 0.219 401 A C 2.251 179.847 177.584 0.019 0.000 1.182 401 A CA 1.987 54.035 52.037 0.019 0.000 0.633 401 A CB -1.024 17.948 19.000 -0.047 0.000 0.819 401 A HN 0.412 nan 8.150 nan 0.000 0.448 402 V N 0.245 120.178 119.914 0.032 0.000 2.295 402 V HA -0.216 3.910 4.120 0.009 0.000 0.246 402 V C 2.571 178.697 176.094 0.054 0.000 1.049 402 V CA 2.182 64.505 62.300 0.039 0.000 1.024 402 V CB -0.717 31.137 31.823 0.052 0.000 0.648 402 V HN 0.528 nan 8.190 nan 0.000 0.447 403 E N -0.126 120.134 120.200 0.099 0.000 2.150 403 E HA -0.125 4.230 4.350 0.009 0.000 0.193 403 E C 2.100 178.728 176.600 0.047 0.000 0.985 403 E CA 1.153 57.636 56.400 0.140 0.000 0.814 403 E CB -0.298 29.498 29.700 0.160 0.000 0.752 403 E HN 0.594 nan 8.360 nan 0.000 0.466 404 I N 1.456 122.079 120.570 0.089 0.000 2.252 404 I HA -0.238 3.938 4.170 0.009 0.000 0.245 404 I C 2.124 178.211 176.117 -0.051 0.000 1.102 404 I CA 0.787 62.134 61.300 0.078 0.000 1.385 404 I CB -0.283 37.833 38.000 0.193 0.000 1.064 404 I HN 0.066 nan 8.210 nan 0.000 0.414 405 N N 0.734 119.405 118.700 -0.049 0.000 2.188 405 N HA -0.167 4.579 4.740 0.009 0.000 0.184 405 N C 1.922 177.378 175.510 -0.090 0.000 1.018 405 N CA 1.162 54.163 53.050 -0.082 0.000 0.858 405 N CB -0.137 38.312 38.487 -0.064 0.000 0.989 405 N HN 0.202 nan 8.380 nan 0.000 0.426 406 L N 1.605 122.770 121.223 -0.097 0.000 2.046 406 L HA -0.048 4.297 4.340 0.009 0.000 0.208 406 L C 2.264 178.989 176.870 -0.241 0.000 1.077 406 L CA 1.448 56.194 54.840 -0.158 0.000 0.747 406 L CB -0.835 41.103 42.059 -0.202 0.000 0.896 406 L HN 0.052 nan 8.230 nan 0.000 0.432 407 A N -1.146 121.468 122.820 -0.343 0.000 1.908 407 A HA -0.165 4.161 4.320 0.009 0.000 0.218 407 A C 2.275 179.779 177.584 -0.134 0.000 1.181 407 A CA 2.063 53.862 52.037 -0.396 0.000 0.627 407 A CB -1.129 17.334 19.000 -0.895 0.000 0.818 407 A HN 0.312 nan 8.150 nan 0.000 0.445 408 V N -0.019 119.830 119.914 -0.108 0.000 2.261 408 V HA -0.276 3.849 4.120 0.009 0.000 0.246 408 V C 2.590 178.677 176.094 -0.012 0.000 1.047 408 V CA 2.068 64.342 62.300 -0.045 0.000 1.015 408 V CB -0.791 30.922 31.823 -0.182 0.000 0.642 408 V HN 0.577 nan 8.190 nan 0.000 0.446 409 L N -0.564 120.622 121.223 -0.062 0.000 1.989 409 L HA -0.245 4.101 4.340 0.009 0.000 0.211 409 L C 2.638 179.535 176.870 0.044 0.000 1.071 409 L CA 2.281 57.107 54.840 -0.023 0.000 0.749 409 L CB -0.847 41.195 42.059 -0.028 0.000 0.890 409 L HN 0.491 nan 8.230 nan 0.000 0.431 410 H N -0.342 118.679 119.070 -0.081 0.000 2.319 410 H HA -0.163 4.399 4.556 0.010 0.000 0.299 410 H C 2.335 177.649 175.328 -0.023 0.000 1.092 410 H CA 2.084 58.079 56.048 -0.089 0.000 1.302 410 H CB -0.082 29.561 29.762 -0.199 0.000 1.373 410 H HN 0.163 nan 8.280 nan 0.000 0.497 411 S N -0.454 115.166 115.700 -0.133 0.000 2.356 411 S HA -0.124 4.351 4.470 0.009 0.000 0.223 411 S C 2.060 176.629 174.600 -0.052 0.000 1.032 411 S CA 1.300 59.414 58.200 -0.143 0.000 1.005 411 S CB -0.560 62.661 63.200 0.036 0.000 0.867 411 S HN 0.399 nan 8.310 nan 0.000 0.449 412 F N 1.960 121.843 119.950 -0.112 0.000 2.134 412 F HA -0.166 4.366 4.527 0.009 0.000 0.299 412 F C 2.808 178.554 175.800 -0.090 0.000 1.097 412 F CA 1.184 59.145 58.000 -0.065 0.000 1.264 412 F CB -0.318 38.669 39.000 -0.020 0.000 1.001 412 F HN 0.220 nan 8.300 nan 0.000 0.479 413 Q N 0.073 119.913 119.800 0.066 0.000 2.084 413 Q HA -0.227 4.119 4.340 0.009 0.000 0.202 413 Q C 2.358 178.304 176.000 -0.089 0.000 0.978 413 Q CA 1.457 57.250 55.803 -0.016 0.000 0.844 413 Q CB -0.394 28.331 28.738 -0.023 0.000 0.898 413 Q HN 0.484 nan 8.270 nan 0.000 0.426 414 L N 0.075 121.187 121.223 -0.186 0.000 2.046 414 L HA -0.154 4.192 4.340 0.009 0.000 0.208 414 L C 1.898 178.684 176.870 -0.139 0.000 1.077 414 L CA 1.088 55.806 54.840 -0.203 0.000 0.747 414 L CB -0.241 41.612 42.059 -0.343 0.000 0.896 414 L HN 0.197 nan 8.230 nan 0.000 0.432 415 A N -1.319 121.411 122.820 -0.149 0.000 2.259 415 A HA -0.016 4.310 4.320 0.009 0.000 0.208 415 A C 0.613 178.130 177.584 -0.112 0.000 1.201 415 A CA -0.090 51.863 52.037 -0.140 0.000 0.824 415 A CB -0.078 18.802 19.000 -0.200 0.000 0.838 415 A HN 0.371 nan 8.150 nan 0.000 0.485 416 K N -0.996 119.353 120.400 -0.084 0.000 3.077 416 K HA -0.136 4.190 4.320 0.009 0.000 0.264 416 K C -0.498 176.071 176.600 -0.052 0.000 1.008 416 K CA 0.782 57.033 56.287 -0.060 0.000 0.740 416 K CB -2.794 29.672 32.500 -0.057 0.000 1.273 416 K HN 0.313 nan 8.250 nan 0.000 0.477 417 V N 0.920 120.810 119.914 -0.040 0.000 2.435 417 V HA 0.210 4.335 4.120 0.009 0.000 0.290 417 V C 0.875 177.053 176.094 0.140 0.000 1.030 417 V CA -0.757 61.547 62.300 0.006 0.000 0.881 417 V CB 2.019 33.746 31.823 -0.159 0.000 0.983 417 V HN 0.293 nan 8.190 nan 0.000 0.445 418 T N 6.349 120.953 114.554 0.084 0.000 2.934 418 T HA 0.450 4.805 4.350 0.009 0.000 0.306 418 T C -0.226 174.553 174.700 0.132 0.000 1.042 418 T CA 0.795 62.877 62.100 -0.030 0.000 1.145 418 T CB 0.134 68.845 68.868 -0.262 0.000 0.982 418 T HN 0.595 nan 8.240 nan 0.000 0.544 419 I N 2.002 122.576 120.570 0.007 0.000 2.947 419 I HA 0.619 4.795 4.170 0.009 0.000 0.301 419 I C -1.803 174.340 176.117 0.042 0.000 1.453 419 I CA -0.936 60.413 61.300 0.081 0.000 0.984 419 I CB 1.908 39.889 38.000 -0.032 0.000 1.333 419 I HN 0.458 nan 8.210 nan 0.000 0.475 420 V N 4.494 124.489 119.914 0.136 0.000 2.733 420 V HA 0.456 4.582 4.120 0.009 0.000 0.306 420 V C -1.194 174.956 176.094 0.093 0.000 1.084 420 V CA -0.272 62.108 62.300 0.132 0.000 0.905 420 V CB 2.187 34.171 31.823 0.268 0.000 1.010 420 V HN 0.895 nan 8.190 nan 0.000 0.424 421 D N 4.129 124.560 120.400 0.053 0.000 2.371 421 D HA 0.160 4.805 4.640 0.009 0.000 0.242 421 D C 1.260 177.570 176.300 0.016 0.000 1.218 421 D CA 0.281 54.301 54.000 0.032 0.000 0.945 421 D CB 0.383 41.169 40.800 -0.023 0.000 1.137 421 D HN 0.746 nan 8.370 nan 0.000 0.464 422 H N -0.711 118.288 119.070 -0.117 0.000 2.491 422 H HA -0.100 4.462 4.556 0.009 0.000 0.290 422 H C 1.014 176.239 175.328 -0.171 0.000 1.050 422 H CA 1.165 57.109 56.048 -0.174 0.000 1.309 422 H CB -0.533 29.067 29.762 -0.271 0.000 1.392 422 H HN 0.505 nan 8.280 nan 0.000 0.554 423 H N 1.153 120.026 119.070 -0.328 0.000 2.317 423 H HA 0.167 4.729 4.556 0.009 0.000 0.304 423 H C 2.514 177.815 175.328 -0.044 0.000 1.067 423 H CA 1.294 57.235 56.048 -0.178 0.000 1.352 423 H CB -0.288 29.333 29.762 -0.235 0.000 1.398 423 H HN 0.482 nan 8.280 nan 0.000 0.510 424 A N 1.533 124.407 122.820 0.090 0.000 1.877 424 A HA -0.125 4.200 4.320 0.009 0.000 0.216 424 A C 2.704 180.358 177.584 0.117 0.000 1.186 424 A CA 1.970 54.062 52.037 0.092 0.000 0.620 424 A CB -0.932 18.114 19.000 0.077 0.000 0.822 424 A HN 0.433 nan 8.150 nan 0.000 0.443 425 A N -0.206 122.685 122.820 0.117 0.000 1.865 425 A HA -0.155 4.170 4.320 0.009 0.000 0.217 425 A C 2.477 180.157 177.584 0.161 0.000 1.191 425 A CA 2.876 55.001 52.037 0.146 0.000 0.623 425 A CB -1.573 17.501 19.000 0.124 0.000 0.826 425 A HN 0.811 nan 8.150 nan 0.000 0.444 426 T N -2.502 112.129 114.554 0.128 0.000 2.867 426 T HA -0.091 4.265 4.350 0.009 0.000 0.268 426 T C 1.696 176.524 174.700 0.215 0.000 1.057 426 T CA 1.431 63.629 62.100 0.164 0.000 1.136 426 T CB -0.776 68.156 68.868 0.107 0.000 0.874 426 T HN 0.066 nan 8.240 nan 0.000 0.466 427 V N 2.838 122.853 119.914 0.168 0.000 2.295 427 V HA -0.180 3.945 4.120 0.009 0.000 0.246 427 V C 3.219 179.407 176.094 0.156 0.000 1.049 427 V CA 2.151 64.540 62.300 0.149 0.000 1.024 427 V CB -1.071 30.820 31.823 0.114 0.000 0.648 427 V HN 0.796 nan 8.190 nan 0.000 0.447 428 S N -0.159 115.641 115.700 0.166 0.000 2.419 428 S HA -0.253 4.223 4.470 0.009 0.000 0.235 428 S C 1.942 176.666 174.600 0.207 0.000 1.019 428 S CA 1.762 60.061 58.200 0.166 0.000 0.982 428 S CB -0.769 62.535 63.200 0.173 0.000 0.789 428 S HN 0.525 nan 8.310 nan 0.000 0.490 429 F N 1.872 121.885 119.950 0.105 0.000 2.259 429 F HA 0.184 4.717 4.527 0.009 0.000 0.298 429 F C 2.194 178.080 175.800 0.144 0.000 1.088 429 F CA 0.939 59.014 58.000 0.125 0.000 1.358 429 F CB -0.281 38.771 39.000 0.087 0.000 1.040 429 F HN 0.111 nan 8.300 nan 0.000 0.505 430 M N -0.018 119.653 119.600 0.118 0.000 2.229 430 M HA -0.137 4.348 4.480 0.009 0.000 0.264 430 M C 2.156 178.433 176.300 -0.039 0.000 1.063 430 M CA 1.311 56.627 55.300 0.027 0.000 1.114 430 M CB -1.107 31.555 32.600 0.103 0.000 1.387 430 M HN 0.059 nan 8.290 nan 0.000 0.420 431 K N -0.149 120.257 120.400 0.010 0.000 2.057 431 K HA -0.189 4.136 4.320 0.009 0.000 0.206 431 K C 1.976 178.555 176.600 -0.035 0.000 1.050 431 K CA 1.741 58.030 56.287 0.003 0.000 0.935 431 K CB -0.679 31.848 32.500 0.045 0.000 0.715 431 K HN 0.360 nan 8.250 nan 0.000 0.439 432 H N 0.123 119.103 119.070 -0.150 0.000 2.352 432 H HA -0.034 4.527 4.556 0.009 0.000 0.299 432 H C 1.707 176.865 175.328 -0.283 0.000 1.097 432 H CA 2.295 58.224 56.048 -0.199 0.000 1.311 432 H CB -0.217 29.391 29.762 -0.256 0.000 1.377 432 H HN 0.177 nan 8.280 nan 0.000 0.504 433 L N -0.243 120.692 121.223 -0.480 0.000 2.079 433 L HA -0.168 4.177 4.340 0.009 0.000 0.210 433 L C 2.291 179.002 176.870 -0.266 0.000 1.081 433 L CA 1.723 56.308 54.840 -0.426 0.000 0.752 433 L CB -0.440 41.426 42.059 -0.320 0.000 0.896 433 L HN 0.394 nan 8.230 nan 0.000 0.433 434 D N -0.076 120.213 120.400 -0.185 0.000 2.097 434 D HA -0.171 4.474 4.640 0.009 0.000 0.197 434 D C 1.924 178.149 176.300 -0.126 0.000 0.984 434 D CA 1.160 55.090 54.000 -0.117 0.000 0.826 434 D CB 0.064 40.822 40.800 -0.069 0.000 0.973 434 D HN 0.154 nan 8.370 nan 0.000 0.460 435 N N 0.615 119.228 118.700 -0.145 0.000 2.084 435 N HA -0.133 4.613 4.740 0.009 0.000 0.190 435 N C 1.639 177.055 175.510 -0.156 0.000 1.030 435 N CA 0.874 53.856 53.050 -0.113 0.000 0.849 435 N CB -0.328 38.119 38.487 -0.067 0.000 1.012 435 N HN 0.332 nan 8.380 nan 0.000 0.423 436 E N 0.796 120.817 120.200 -0.298 0.000 2.150 436 E HA -0.168 4.187 4.350 0.009 0.000 0.193 436 E C 1.914 178.409 176.600 -0.175 0.000 0.985 436 E CA 0.609 56.834 56.400 -0.292 0.000 0.814 436 E CB -0.141 29.270 29.700 -0.483 0.000 0.752 436 E HN 0.336 nan 8.360 nan 0.000 0.466 437 Q N 1.522 121.230 119.800 -0.154 0.000 2.061 437 Q HA -0.148 4.197 4.340 0.009 0.000 0.204 437 Q C 1.811 177.764 176.000 -0.079 0.000 0.984 437 Q CA 1.820 57.565 55.803 -0.098 0.000 0.846 437 Q CB -0.001 28.688 28.738 -0.081 0.000 0.902 437 Q HN 0.136 nan 8.270 nan 0.000 0.421 438 K N -0.820 119.535 120.400 -0.076 0.000 2.062 438 K HA 0.023 4.348 4.320 0.009 0.000 0.205 438 K C 2.031 178.599 176.600 -0.053 0.000 1.051 438 K CA 1.032 57.285 56.287 -0.056 0.000 0.941 438 K CB -0.180 32.292 32.500 -0.046 0.000 0.719 438 K HN 0.249 nan 8.250 nan 0.000 0.440 439 A N 1.206 123.992 122.820 -0.057 0.000 1.929 439 A HA -0.057 4.269 4.320 0.009 0.000 0.216 439 A C 1.744 179.298 177.584 -0.051 0.000 1.176 439 A CA 1.112 53.125 52.037 -0.040 0.000 0.628 439 A CB 0.005 18.993 19.000 -0.019 0.000 0.816 439 A HN 0.167 nan 8.150 nan 0.000 0.444 440 R N -2.723 117.734 120.500 -0.072 0.000 2.541 440 R HA 0.265 4.611 4.340 0.009 0.000 0.332 440 R C 0.873 177.132 176.300 -0.067 0.000 0.951 440 R CA 0.527 56.588 56.100 -0.065 0.000 1.136 440 R CB 0.731 30.988 30.300 -0.071 0.000 1.449 440 R HN 0.675 nan 8.270 nan 0.000 0.531 441 G N 0.793 109.547 108.800 -0.076 0.000 2.141 441 G HA2 -0.185 3.781 3.960 0.009 0.000 0.242 441 G HA3 -0.185 3.781 3.960 0.009 0.000 0.242 441 G C 0.245 175.111 174.900 -0.056 0.000 0.982 441 G CA -0.000 45.048 45.100 -0.087 0.000 0.662 441 G HN 0.739 nan 8.290 nan 0.000 0.527 442 G N -2.339 106.441 108.800 -0.034 0.000 2.341 442 G HA2 0.534 4.499 3.960 0.009 0.000 0.293 442 G HA3 0.534 4.499 3.960 0.009 0.000 0.293 442 G C -0.863 174.048 174.900 0.018 0.000 1.298 442 G CA 0.449 45.561 45.100 0.020 0.000 0.868 442 G HN 1.933 nan 8.290 nan 0.000 0.540 443 C N 1.930 121.269 119.300 0.065 0.000 2.705 443 C HA 0.730 5.196 4.460 0.009 0.000 0.369 443 C C -2.553 172.415 174.990 -0.037 0.000 1.069 443 C CA -1.162 57.852 59.018 -0.007 0.000 1.260 443 C CB 1.332 29.016 27.740 -0.093 0.000 1.764 443 C HN 0.712 nan 8.230 nan 0.000 0.469 444 P HA 0.413 nan 4.420 nan 0.000 0.271 444 P C -0.684 176.495 177.300 -0.202 0.000 1.226 444 P CA 0.542 63.234 63.100 -0.680 0.000 0.765 444 P CB 1.117 32.139 31.700 -1.129 0.000 0.835 445 A N 2.676 125.448 122.820 -0.079 0.000 2.488 445 A HA 0.405 4.731 4.320 0.009 0.000 0.298 445 A C -1.067 176.568 177.584 0.085 0.000 1.044 445 A CA -0.569 51.514 52.037 0.077 0.000 0.693 445 A CB 1.332 20.491 19.000 0.265 0.000 1.272 445 A HN 0.450 nan 8.150 nan 0.000 0.402 446 D N 1.959 122.405 120.400 0.076 0.000 2.467 446 D HA 0.132 4.777 4.640 0.009 0.000 0.220 446 D C 0.823 177.268 176.300 0.241 0.000 1.103 446 D CA -0.452 53.635 54.000 0.145 0.000 0.886 446 D CB 0.383 41.224 40.800 0.068 0.000 1.025 446 D HN 0.607 nan 8.370 nan 0.000 0.514 447 W N 4.221 125.568 121.300 0.078 0.000 2.302 447 W HA -0.338 4.328 4.660 0.010 0.000 0.320 447 W C 2.015 178.566 176.519 0.054 0.000 1.241 447 W CA 2.547 59.919 57.345 0.046 0.000 1.264 447 W CB -0.037 29.422 29.460 -0.000 0.000 1.154 447 W HN 0.565 nan 8.180 nan 0.000 0.483 448 A N -1.475 121.643 122.820 0.496 0.000 2.076 448 A HA -0.202 4.123 4.320 0.009 0.000 0.220 448 A C 1.383 179.001 177.584 0.056 0.000 1.160 448 A CA 1.663 53.890 52.037 0.316 0.000 0.653 448 A CB -1.185 18.012 19.000 0.329 0.000 0.801 448 A HN 0.563 nan 8.150 nan 0.000 0.455 449 W N -1.412 119.869 121.300 -0.033 0.000 2.907 449 W HA 0.269 4.934 4.660 0.009 0.000 0.271 449 W C 1.727 178.138 176.519 -0.179 0.000 1.253 449 W CA -0.273 57.025 57.345 -0.080 0.000 1.501 449 W CB 0.096 29.532 29.460 -0.040 0.000 1.047 449 W HN 0.114 nan 8.180 nan 0.000 0.610 450 I N -0.203 120.329 120.570 -0.064 0.000 2.480 450 I HA -0.030 4.146 4.170 0.009 0.000 0.251 450 I C 0.687 176.609 176.117 -0.326 0.000 1.124 450 I CA 0.739 61.875 61.300 -0.273 0.000 1.444 450 I CB -1.267 36.511 38.000 -0.371 0.000 1.098 450 I HN -0.416 nan 8.210 nan 0.000 0.428 451 V N 3.824 123.465 119.914 -0.455 0.000 2.572 451 V HA 0.096 4.222 4.120 0.009 0.000 0.291 451 V C -1.907 174.015 176.094 -0.287 0.000 1.039 451 V CA -1.024 61.001 62.300 -0.459 0.000 1.055 451 V CB 0.367 31.696 31.823 -0.823 0.000 0.969 451 V HN 0.121 nan 8.190 nan 0.000 0.482 452 P HA 0.165 nan 4.420 nan 0.000 0.272 452 P C -1.850 175.320 177.300 -0.216 0.000 1.230 452 P CA -1.243 61.736 63.100 -0.201 0.000 0.788 452 P CB 0.022 31.611 31.700 -0.185 0.000 0.949 453 P HA -0.007 nan 4.420 nan 0.000 0.230 453 P C 0.157 177.335 177.300 -0.203 0.000 1.158 453 P CA 1.170 64.144 63.100 -0.211 0.000 0.769 453 P CB 0.036 31.607 31.700 -0.216 0.000 0.807 454 I N -6.858 113.553 120.570 -0.264 0.000 2.865 454 I HA 0.453 4.629 4.170 0.009 0.000 0.302 454 I C -0.081 175.913 176.117 -0.205 0.000 1.140 454 I CA -1.215 59.947 61.300 -0.231 0.000 1.021 454 I CB 2.023 39.862 38.000 -0.269 0.000 1.233 454 I HN -0.396 nan 8.210 nan 0.000 0.427 455 S N 2.031 117.667 115.700 -0.106 0.000 3.473 455 S HA -0.206 4.269 4.470 0.009 0.000 0.339 455 S C 1.391 175.956 174.600 -0.058 0.000 1.148 455 S CA 0.895 59.075 58.200 -0.034 0.000 0.969 455 S CB -1.817 61.440 63.200 0.095 0.000 0.936 455 S HN 1.291 nan 8.310 nan 0.000 0.530 456 G N 2.301 111.036 108.800 -0.107 0.000 2.599 456 G HA2 -0.335 3.631 3.960 0.009 0.000 0.219 456 G HA3 -0.335 3.631 3.960 0.009 0.000 0.219 456 G C 1.413 176.170 174.900 -0.238 0.000 1.193 456 G CA 1.585 46.627 45.100 -0.098 0.000 0.778 456 G HN 1.326 nan 8.290 nan 0.000 0.589 457 S N 0.231 115.515 115.700 -0.693 0.000 2.603 457 S HA 0.201 4.677 4.470 0.009 0.000 0.229 457 S C 1.977 176.489 174.600 -0.146 0.000 0.972 457 S CA 0.469 58.097 58.200 -0.953 0.000 0.935 457 S CB -0.133 62.339 63.200 -1.214 0.000 0.769 457 S HN 0.324 nan 8.310 nan 0.000 0.536 458 L N 1.857 123.055 121.223 -0.042 0.000 2.558 458 L HA 0.158 4.504 4.340 0.009 0.000 0.225 458 L C 1.213 178.198 176.870 0.191 0.000 1.128 458 L CA 0.405 55.308 54.840 0.105 0.000 0.868 458 L CB -0.728 41.420 42.059 0.149 0.000 1.006 458 L HN 0.479 nan 8.230 nan 0.000 0.454 459 T N -4.321 110.334 114.554 0.168 0.000 2.945 459 T HA 0.322 4.678 4.350 0.009 0.000 0.286 459 T C -1.683 173.176 174.700 0.264 0.000 1.025 459 T CA -1.956 60.264 62.100 0.199 0.000 1.039 459 T CB 1.956 70.894 68.868 0.117 0.000 1.068 459 T HN -0.208 nan 8.240 nan 0.000 0.497 460 P HA -0.089 nan 4.420 nan 0.000 0.218 460 P C 1.829 179.320 177.300 0.317 0.000 1.149 460 P CA 1.155 64.438 63.100 0.304 0.000 0.817 460 P CB -0.354 31.475 31.700 0.216 0.000 0.785 461 V N -3.572 116.477 119.914 0.225 0.000 2.594 461 V HA -0.202 3.924 4.120 0.009 0.000 0.253 461 V C 2.400 178.560 176.094 0.109 0.000 1.069 461 V CA 1.249 63.651 62.300 0.169 0.000 1.082 461 V CB -2.270 29.589 31.823 0.061 0.000 0.680 461 V HN -0.116 nan 8.190 nan 0.000 0.469 462 F N 1.866 121.757 119.950 -0.098 0.000 2.126 462 F HA -0.192 4.340 4.527 0.009 0.000 0.299 462 F C 2.495 178.379 175.800 0.140 0.000 1.096 462 F CA 2.346 60.269 58.000 -0.128 0.000 1.255 462 F CB -0.275 38.547 39.000 -0.298 0.000 0.997 462 F HN 0.282 nan 8.300 nan 0.000 0.479 463 H N -1.028 118.374 119.070 0.554 0.000 2.539 463 H HA 0.084 4.646 4.556 0.009 0.000 0.267 463 H C 0.318 175.907 175.328 0.437 0.000 0.982 463 H CA 0.290 56.628 56.048 0.484 0.000 1.146 463 H CB -0.233 29.786 29.762 0.427 0.000 1.382 463 H HN 0.259 nan 8.280 nan 0.000 0.577 464 Q N 2.015 122.089 119.800 0.457 0.000 2.314 464 Q HA 0.158 4.504 4.340 0.009 0.000 0.259 464 Q C -0.582 175.656 176.000 0.396 0.000 0.951 464 Q CA -0.422 55.603 55.803 0.369 0.000 0.909 464 Q CB 0.817 29.733 28.738 0.296 0.000 1.236 464 Q HN 0.234 nan 8.270 nan 0.000 0.444 465 E N 3.463 123.850 120.200 0.312 0.000 2.383 465 E HA 0.308 4.663 4.350 0.009 0.000 0.264 465 E C -0.468 176.273 176.600 0.234 0.000 1.050 465 E CA 0.155 56.701 56.400 0.244 0.000 0.896 465 E CB 0.890 30.708 29.700 0.197 0.000 0.982 465 E HN 0.605 nan 8.360 nan 0.000 0.424 466 M N 1.148 120.886 119.600 0.231 0.000 2.593 466 M HA 0.396 4.882 4.480 0.009 0.000 0.290 466 M C -1.203 175.207 176.300 0.182 0.000 1.244 466 M CA -1.033 54.403 55.300 0.226 0.000 0.857 466 M CB 2.423 35.201 32.600 0.297 0.000 1.738 466 M HN 0.150 nan 8.290 nan 0.000 0.461 467 V N 1.327 121.356 119.914 0.192 0.000 2.417 467 V HA 0.425 4.550 4.120 0.009 0.000 0.291 467 V C -0.711 175.502 176.094 0.199 0.000 1.024 467 V CA -0.724 61.721 62.300 0.241 0.000 0.861 467 V CB 1.575 33.603 31.823 0.342 0.000 0.985 467 V HN 0.880 nan 8.190 nan 0.000 0.436 468 N N 3.538 122.348 118.700 0.183 0.000 2.372 468 N HA 0.714 5.459 4.740 0.009 0.000 0.291 468 N C -1.644 173.960 175.510 0.157 0.000 1.024 468 N CA -0.423 52.647 53.050 0.034 0.000 0.873 468 N CB 1.735 40.253 38.487 0.051 0.000 1.206 468 N HN 0.747 nan 8.380 nan 0.000 0.486 469 Y N 0.738 121.060 120.300 0.036 0.000 2.677 469 Y HA 0.473 5.029 4.550 0.009 0.000 0.334 469 Y C -1.421 174.484 175.900 0.009 0.000 1.196 469 Y CA -1.167 56.948 58.100 0.025 0.000 1.059 469 Y CB 0.698 39.178 38.460 0.032 0.000 1.315 469 Y HN 0.180 nan 8.280 nan 0.000 0.455 470 I N 3.581 124.255 120.570 0.173 0.000 2.315 470 I HA 0.399 4.575 4.170 0.009 0.000 0.291 470 I C -0.667 175.523 176.117 0.121 0.000 1.006 470 I CA -0.422 60.924 61.300 0.077 0.000 1.265 470 I CB 0.932 38.959 38.000 0.044 0.000 1.387 470 I HN 0.431 nan 8.210 nan 0.000 0.475 471 L N 5.080 126.343 121.223 0.067 0.000 2.333 471 L HA 0.568 4.914 4.340 0.009 0.000 0.269 471 L C -0.084 176.789 176.870 0.006 0.000 1.010 471 L CA -0.537 54.345 54.840 0.070 0.000 0.818 471 L CB 2.105 44.208 42.059 0.074 0.000 1.306 471 L HN 0.507 nan 8.230 nan 0.000 0.430 472 S N 1.508 117.219 115.700 0.018 0.000 2.536 472 S HA 0.642 5.118 4.470 0.009 0.000 0.298 472 S C -2.592 172.019 174.600 0.019 0.000 1.083 472 S CA -1.454 56.740 58.200 -0.010 0.000 0.995 472 S CB 1.913 65.122 63.200 0.015 0.000 1.058 472 S HN 0.239 nan 8.310 nan 0.000 0.488 473 P HA 0.361 nan 4.420 nan 0.000 0.267 473 P C -1.228 175.942 177.300 -0.217 0.000 1.201 473 P CA 0.080 63.082 63.100 -0.164 0.000 0.775 473 P CB 0.470 32.024 31.700 -0.244 0.000 0.854 474 A N 1.554 124.203 122.820 -0.284 0.000 2.610 474 A HA 0.707 5.032 4.320 0.009 0.000 0.291 474 A C -1.657 175.694 177.584 -0.388 0.000 1.086 474 A CA -0.513 51.355 52.037 -0.282 0.000 0.677 474 A CB 0.815 19.734 19.000 -0.136 0.000 1.278 474 A HN 0.340 nan 8.150 nan 0.000 0.414 475 F N 0.747 120.607 119.950 -0.150 0.000 2.436 475 F HA 0.697 5.229 4.527 0.008 0.000 0.340 475 F C 0.886 176.577 175.800 -0.182 0.000 1.113 475 F CA -0.027 57.881 58.000 -0.154 0.000 1.022 475 F CB 1.971 40.833 39.000 -0.231 0.000 1.128 475 F HN 0.542 nan 8.300 nan 0.000 0.466 476 R N 2.034 122.560 120.500 0.042 0.000 2.771 476 R HA 0.419 4.764 4.340 0.009 0.000 0.274 476 R C -1.521 174.774 176.300 -0.008 0.000 0.987 476 R CA -1.172 54.895 56.100 -0.055 0.000 0.908 476 R CB 1.955 32.251 30.300 -0.007 0.000 1.213 476 R HN 0.571 nan 8.270 nan 0.000 0.468 477 Y N 1.417 121.738 120.300 0.034 0.000 2.314 477 Y HA 0.103 4.659 4.550 0.009 0.000 0.334 477 Y C 0.768 176.667 175.900 -0.002 0.000 1.266 477 Y CA 0.008 58.119 58.100 0.018 0.000 1.391 477 Y CB 1.120 39.579 38.460 -0.002 0.000 1.306 477 Y HN 0.465 nan 8.280 nan 0.000 0.558 478 Q N 1.366 121.260 119.800 0.158 0.000 2.456 478 Q HA 0.572 4.917 4.340 0.009 0.000 0.284 478 Q C -3.151 172.816 176.000 -0.055 0.000 1.061 478 Q CA -2.573 53.252 55.803 0.037 0.000 0.799 478 Q CB 2.061 30.814 28.738 0.025 0.000 1.445 478 Q HN 0.262 nan 8.270 nan 0.000 0.411 479 P HA 0.048 nan 4.420 nan 0.000 0.269 479 P C -0.944 176.136 177.300 -0.367 0.000 1.215 479 P CA 0.035 63.006 63.100 -0.215 0.000 0.780 479 P CB 0.405 31.993 31.700 -0.187 0.000 0.898 480 D N 3.362 123.410 120.400 -0.587 0.000 2.414 480 D HA 0.002 4.648 4.640 0.009 0.000 0.242 480 D C -0.991 174.667 176.300 -1.070 0.000 1.129 480 D CA -0.905 52.438 54.000 -1.094 0.000 0.885 480 D CB 0.425 40.119 40.800 -1.844 0.000 1.198 480 D HN 0.300 nan 8.370 nan 0.000 0.437 481 P HA -0.091 nan 4.420 nan 0.000 0.220 481 P C 0.488 177.404 177.300 -0.641 0.000 1.148 481 P CA 0.812 63.471 63.100 -0.735 0.000 0.803 481 P CB 0.113 31.379 31.700 -0.724 0.000 0.782 482 W N 0.000 120.860 121.300 -0.734 0.000 2.388 482 W HA 0.000 4.665 4.660 0.009 0.000 0.303 482 W CA 0.000 57.093 57.345 -0.420 0.000 1.226 482 W CB 0.000 29.202 29.460 -0.430 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535