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 3nlg_1_A DATA FIRST_RESID 67 DATA SEQUENCE GPKFPRVKNW ELGSITYDTL CAQSQQDGPC TPRRCLGSLV LPXXXXXXXX DATA SEQUENCE XXXXPAEQLL SQARDFINQY YSSIKRSGSQ AHEERLQEVE AEVASTGTYH DATA SEQUENCE LRESELVFGA KQAWRNAPRC VGRIQWGKLQ VFDARDCSSA QEMFTYICNH DATA SEQUENCE IKYATNRGNL RSAITVFPQR APGRGDFRIW NSQLVRYAGY RQQDGSVRGD DATA SEQUENCE PANVEITELC IQHGWTPGNG RFDVLPLLLQ APDEAPELFV LPPELVLEVP DATA SEQUENCE LEHPTLEWFA ALGLRWYALP AVSNMLLEIG GLEFSAAPFS GWYMSTEIGT DATA SEQUENCE RNLCDPHRYN ILEDVAVCMD LDTRTTSSLW KDKAAVEINL AVLHSFQLAK DATA SEQUENCE VTIVDHHAAT VSFMKHLDNE QKARGGCPAD WAWIVPPISG SLTPVFHQEM DATA SEQUENCE VNYILSPAFR YQPDPW VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 67 G HA2 0.000 nan 3.960 nan 0.000 0.244 67 G HA3 0.000 3.965 3.960 0.009 0.000 0.244 67 G C 0.000 174.823 174.900 -0.129 0.000 0.946 67 G CA 0.000 45.066 45.100 -0.056 0.000 0.502 68 P HA 0.442 nan 4.420 nan 0.000 0.268 68 P C -0.623 176.609 177.300 -0.114 0.000 1.204 68 P CA -0.029 62.918 63.100 -0.255 0.000 0.768 68 P CB 1.018 32.374 31.700 -0.575 0.000 0.842 69 K N 2.837 123.125 120.400 -0.186 0.000 3.006 69 K HA 0.308 4.633 4.320 0.009 0.000 0.262 69 K C -1.268 174.930 176.600 -0.670 0.000 1.289 69 K CA -0.018 56.059 56.287 -0.351 0.000 1.245 69 K CB -1.337 30.943 32.500 -0.367 0.000 1.614 69 K HN 0.317 nan 8.250 nan 0.000 0.322 70 F N -0.118 119.851 119.950 0.031 0.000 2.631 70 F HA 0.355 4.887 4.527 0.009 0.000 0.308 70 F C -1.991 173.907 175.800 0.162 0.000 1.097 70 F CA -2.580 55.459 58.000 0.065 0.000 0.952 70 F CB 1.595 40.632 39.000 0.062 0.000 1.307 70 F HN 0.037 nan 8.300 nan 0.000 0.450 71 P HA -0.021 nan 4.420 nan 0.000 0.261 71 P C -0.686 176.729 177.300 0.192 0.000 1.173 71 P CA 0.078 63.295 63.100 0.195 0.000 0.760 71 P CB 0.490 32.273 31.700 0.138 0.000 0.783 72 R N 2.794 123.339 120.500 0.074 0.000 2.357 72 R HA 0.425 4.770 4.340 0.009 0.000 0.296 72 R C -1.246 174.950 176.300 -0.173 0.000 1.052 72 R CA -0.522 55.416 56.100 -0.270 0.000 0.988 72 R CB 0.587 30.750 30.300 -0.228 0.000 1.025 72 R HN 0.239 nan 8.270 nan 0.000 0.469 73 V N 4.884 124.651 119.914 -0.246 0.000 2.483 73 V HA 0.325 4.451 4.120 0.009 0.000 0.297 73 V C -0.547 175.466 176.094 -0.136 0.000 1.027 73 V CA -0.825 61.414 62.300 -0.103 0.000 0.855 73 V CB 1.590 33.389 31.823 -0.039 0.000 0.995 73 V HN 0.724 nan 8.190 nan 0.000 0.424 74 K N 3.904 124.249 120.400 -0.092 0.000 2.221 74 K HA 0.436 4.762 4.320 0.009 0.000 0.258 74 K C -0.439 176.099 176.600 -0.104 0.000 0.944 74 K CA -0.619 55.545 56.287 -0.205 0.000 0.823 74 K CB 1.392 33.631 32.500 -0.434 0.000 1.113 74 K HN 0.718 nan 8.250 nan 0.000 0.431 75 N N 4.156 122.788 118.700 -0.113 0.000 2.419 75 N HA 0.073 4.819 4.740 0.009 0.000 0.264 75 N C -0.288 175.197 175.510 -0.041 0.000 1.031 75 N CA -0.249 52.820 53.050 0.032 0.000 0.951 75 N CB 0.508 39.035 38.487 0.066 0.000 1.101 75 N HN 0.701 nan 8.380 nan 0.000 0.488 76 W N 2.211 123.594 121.300 0.138 0.000 2.770 76 W HA 0.148 4.813 4.660 0.009 0.000 0.256 76 W C 2.111 178.677 176.519 0.079 0.000 1.291 76 W CA -0.129 57.288 57.345 0.119 0.000 1.396 76 W CB 0.263 29.820 29.460 0.163 0.000 1.114 76 W HN 0.672 nan 8.180 nan 0.000 0.637 77 E N 0.600 120.942 120.200 0.237 0.000 2.046 77 E HA -0.161 4.195 4.350 0.009 0.000 0.190 77 E C 1.766 178.393 176.600 0.045 0.000 0.982 77 E CA 1.269 57.703 56.400 0.057 0.000 0.800 77 E CB -0.246 29.454 29.700 0.000 0.000 0.756 77 E HN 0.253 nan 8.360 nan 0.000 0.449 78 L N -1.260 119.987 121.223 0.040 0.000 2.463 78 L HA 0.281 4.626 4.340 0.009 0.000 0.219 78 L C 1.610 178.460 176.870 -0.032 0.000 1.088 78 L CA 0.449 55.292 54.840 0.006 0.000 0.849 78 L CB 0.391 42.456 42.059 0.011 0.000 1.012 78 L HN 0.438 nan 8.230 nan 0.000 0.468 79 G N 0.663 109.416 108.800 -0.080 0.000 2.143 79 G HA2 -0.286 3.680 3.960 0.009 0.000 0.249 79 G HA3 -0.286 3.680 3.960 0.009 0.000 0.249 79 G C 0.325 175.128 174.900 -0.162 0.000 0.981 79 G CA 0.379 45.384 45.100 -0.158 0.000 0.665 79 G HN 0.445 nan 8.290 nan 0.000 0.528 80 S N -0.093 115.533 115.700 -0.124 0.000 2.610 80 S HA 0.826 5.301 4.470 0.009 0.000 0.273 80 S C 0.047 174.560 174.600 -0.145 0.000 1.274 80 S CA -0.850 57.286 58.200 -0.106 0.000 1.023 80 S CB 2.257 65.421 63.200 -0.060 0.000 0.962 80 S HN 0.404 nan 8.310 nan 0.000 0.523 81 I N 2.136 122.625 120.570 -0.136 0.000 2.569 81 I HA 0.557 4.732 4.170 0.009 0.000 0.296 81 I C 0.391 176.405 176.117 -0.171 0.000 1.028 81 I CA -0.207 60.976 61.300 -0.195 0.000 1.082 81 I CB 1.687 39.562 38.000 -0.207 0.000 1.264 81 I HN 1.060 nan 8.210 nan 0.000 0.429 82 T N 2.207 116.620 114.554 -0.235 0.000 2.865 82 T HA 0.709 5.065 4.350 0.009 0.000 0.294 82 T C -1.239 173.249 174.700 -0.353 0.000 1.119 82 T CA -0.661 61.337 62.100 -0.170 0.000 1.007 82 T CB 1.907 70.734 68.868 -0.068 0.000 1.225 82 T HN 0.250 nan 8.240 nan 0.000 0.515 83 Y N 0.217 120.513 120.300 -0.006 0.000 2.393 83 Y HA 0.512 5.068 4.550 0.009 0.000 0.341 83 Y C 0.018 175.900 175.900 -0.030 0.000 0.988 83 Y CA -0.960 57.149 58.100 0.014 0.000 1.078 83 Y CB 1.722 40.205 38.460 0.038 0.000 1.203 83 Y HN 0.716 nan 8.280 nan 0.000 0.453 84 D N 1.647 122.130 120.400 0.138 0.000 2.317 84 D HA 0.118 4.763 4.640 0.009 0.000 0.234 84 D C 0.537 176.791 176.300 -0.076 0.000 1.112 84 D CA -0.024 54.000 54.000 0.040 0.000 0.840 84 D CB 1.418 42.273 40.800 0.091 0.000 1.078 84 D HN 0.793 nan 8.370 nan 0.000 0.486 85 T N 1.140 115.526 114.554 -0.281 0.000 2.990 85 T HA -0.034 4.321 4.350 0.009 0.000 0.250 85 T C 1.826 176.350 174.700 -0.293 0.000 1.041 85 T CA -0.254 61.484 62.100 -0.604 0.000 1.010 85 T CB 0.091 68.439 68.868 -0.867 0.000 1.003 85 T HN 0.249 nan 8.240 nan 0.000 0.499 86 L N 2.629 123.747 121.223 -0.176 0.000 2.131 86 L HA 0.020 4.365 4.340 0.009 0.000 0.210 86 L C 2.619 179.357 176.870 -0.221 0.000 1.092 86 L CA 1.319 56.097 54.840 -0.103 0.000 0.759 86 L CB -0.981 41.100 42.059 0.037 0.000 0.903 86 L HN 0.671 nan 8.230 nan 0.000 0.435 87 C N -1.618 117.372 119.300 -0.517 0.000 2.409 87 C HA 0.023 4.489 4.460 0.009 0.000 0.284 87 C C 2.807 177.587 174.990 -0.351 0.000 1.354 87 C CA 0.145 58.582 59.018 -0.969 0.000 1.787 87 C CB -2.262 24.857 27.740 -1.036 0.000 1.900 87 C HN 0.584 nan 8.230 nan 0.000 0.520 88 A N 0.161 122.905 122.820 -0.126 0.000 2.019 88 A HA -0.136 4.190 4.320 0.009 0.000 0.219 88 A C 2.232 179.808 177.584 -0.012 0.000 1.164 88 A CA 1.674 53.714 52.037 0.005 0.000 0.644 88 A CB -0.469 18.606 19.000 0.125 0.000 0.805 88 A HN 0.635 nan 8.150 nan 0.000 0.449 89 Q N 0.128 119.909 119.800 -0.031 0.000 2.435 89 Q HA 0.054 4.399 4.340 0.009 0.000 0.207 89 Q C 0.955 176.975 176.000 0.034 0.000 0.956 89 Q CA 0.514 56.324 55.803 0.012 0.000 0.917 89 Q CB -0.582 28.171 28.738 0.025 0.000 0.997 89 Q HN 0.519 nan 8.270 nan 0.000 0.497 90 S N 1.104 116.816 115.700 0.019 0.000 2.516 90 S HA 0.016 4.492 4.470 0.009 0.000 0.282 90 S C 0.772 175.404 174.600 0.053 0.000 1.286 90 S CA -0.049 58.194 58.200 0.070 0.000 1.066 90 S CB 0.383 63.634 63.200 0.084 0.000 0.884 90 S HN 0.121 nan 8.310 nan 0.000 0.491 91 Q N 2.631 122.467 119.800 0.060 0.000 2.194 91 Q HA 0.216 4.562 4.340 0.009 0.000 0.214 91 Q C -0.285 175.742 176.000 0.044 0.000 0.838 91 Q CA 0.044 55.875 55.803 0.047 0.000 0.972 91 Q CB 0.712 29.480 28.738 0.049 0.000 1.131 91 Q HN 0.771 nan 8.270 nan 0.000 0.498 92 Q N 1.143 120.974 119.800 0.052 0.000 2.304 92 Q HA 0.223 4.568 4.340 0.009 0.000 0.270 92 Q C -1.506 174.525 176.000 0.051 0.000 1.035 92 Q CA -0.374 55.456 55.803 0.045 0.000 0.781 92 Q CB 1.347 30.109 28.738 0.039 0.000 1.261 92 Q HN -0.128 nan 8.270 nan 0.000 0.444 93 D N 2.468 122.893 120.400 0.042 0.000 2.382 93 D HA 0.335 4.980 4.640 0.009 0.000 0.245 93 D C 0.309 176.636 176.300 0.045 0.000 1.120 93 D CA 0.364 54.390 54.000 0.043 0.000 0.890 93 D CB 1.290 42.110 40.800 0.033 0.000 1.201 93 D HN 0.677 nan 8.370 nan 0.000 0.433 94 G N 1.088 109.920 108.800 0.053 0.000 2.543 94 G HA2 0.350 4.315 3.960 0.009 0.000 0.267 94 G HA3 0.350 4.315 3.960 0.009 0.000 0.267 94 G C -1.470 173.456 174.900 0.043 0.000 1.406 94 G CA -0.553 44.577 45.100 0.050 0.000 1.048 94 G HN 0.379 nan 8.290 nan 0.000 0.548 95 P HA 0.222 nan 4.420 nan 0.000 0.257 95 P C 0.113 177.434 177.300 0.035 0.000 1.241 95 P CA -0.114 63.009 63.100 0.038 0.000 0.816 95 P CB 0.191 31.915 31.700 0.041 0.000 1.150 96 C N 0.774 120.098 119.300 0.039 0.000 2.459 96 C HA 0.655 5.120 4.460 0.009 0.000 0.374 96 C C 0.981 175.988 174.990 0.029 0.000 1.241 96 C CA 0.091 59.130 59.018 0.035 0.000 2.352 96 C CB 1.042 28.807 27.740 0.041 0.000 2.490 96 C HN 0.382 nan 8.230 nan 0.000 0.583 97 T N -1.219 113.349 114.554 0.023 0.000 2.865 97 T HA 0.452 4.808 4.350 0.009 0.000 0.294 97 T C -2.360 172.349 174.700 0.016 0.000 1.119 97 T CA -1.149 60.962 62.100 0.018 0.000 1.007 97 T CB 1.253 70.130 68.868 0.015 0.000 1.225 97 T HN 0.283 nan 8.240 nan 0.000 0.515 98 P HA 0.022 nan 4.420 nan 0.000 0.218 98 P C 1.560 178.865 177.300 0.008 0.000 1.148 98 P CA 0.801 63.906 63.100 0.009 0.000 0.822 98 P CB 0.121 31.825 31.700 0.006 0.000 0.784 99 R N -0.668 119.837 120.500 0.008 0.000 2.115 99 R HA -0.023 4.323 4.340 0.009 0.000 0.230 99 R C 0.778 177.082 176.300 0.006 0.000 1.111 99 R CA 0.868 56.971 56.100 0.006 0.000 0.976 99 R CB 0.092 30.395 30.300 0.006 0.000 0.870 99 R HN 0.203 nan 8.270 nan 0.000 0.445 100 R N -0.406 120.099 120.500 0.009 0.000 2.563 100 R HA 0.083 4.428 4.340 0.009 0.000 0.262 100 R C -1.670 174.639 176.300 0.014 0.000 1.128 100 R CA -0.615 55.490 56.100 0.010 0.000 0.969 100 R CB 0.031 30.337 30.300 0.009 0.000 1.251 100 R HN 0.027 nan 8.270 nan 0.000 0.442 101 C N 4.284 123.592 119.300 0.013 0.000 2.347 101 C HA 0.540 5.005 4.460 0.009 0.000 0.353 101 C C 0.350 175.355 174.990 0.025 0.000 1.273 101 C CA -0.529 58.500 59.018 0.019 0.000 1.861 101 C CB -0.434 27.313 27.740 0.012 0.000 2.420 101 C HN 0.699 nan 8.230 nan 0.000 0.542 102 L N 6.072 127.316 121.223 0.035 0.000 3.066 102 L HA 0.351 4.696 4.340 0.009 0.000 0.265 102 L C 1.963 178.868 176.870 0.058 0.000 1.232 102 L CA 0.699 55.564 54.840 0.042 0.000 1.031 102 L CB -0.119 41.963 42.059 0.038 0.000 1.379 102 L HN 1.041 nan 8.230 nan 0.000 0.563 103 G N -0.756 108.081 108.800 0.062 0.000 2.509 103 G HA2 -0.207 3.759 3.960 0.009 0.000 0.218 103 G HA3 -0.207 3.759 3.960 0.009 0.000 0.218 103 G C 1.417 176.389 174.900 0.120 0.000 1.124 103 G CA 1.048 46.198 45.100 0.083 0.000 0.776 103 G HN 0.503 nan 8.290 nan 0.000 0.547 104 S N -0.329 115.438 115.700 0.111 0.000 2.575 104 S HA 0.337 4.813 4.470 0.009 0.000 0.215 104 S C 0.819 175.510 174.600 0.151 0.000 0.966 104 S CA -0.544 57.743 58.200 0.145 0.000 0.911 104 S CB -0.083 63.180 63.200 0.104 0.000 0.780 104 S HN 0.096 nan 8.310 nan 0.000 0.514 105 L N 2.181 123.477 121.223 0.122 0.000 2.367 105 L HA 0.235 4.580 4.340 0.009 0.000 0.275 105 L C 1.482 178.443 176.870 0.152 0.000 1.129 105 L CA -0.362 54.544 54.840 0.110 0.000 0.839 105 L CB 1.120 43.223 42.059 0.073 0.000 1.133 105 L HN 0.074 nan 8.230 nan 0.000 0.453 106 V N 4.566 124.577 119.914 0.162 0.000 2.270 106 V HA -0.141 3.985 4.120 0.009 0.000 0.245 106 V C 0.815 176.969 176.094 0.099 0.000 1.043 106 V CA 1.284 63.712 62.300 0.214 0.000 1.014 106 V CB -0.151 31.797 31.823 0.207 0.000 0.645 106 V HN 0.517 nan 8.190 nan 0.000 0.447 107 L N 1.960 123.196 121.223 0.021 0.000 2.319 107 L HA 0.569 4.915 4.340 0.009 0.000 0.281 107 L C -2.406 174.482 176.870 0.029 0.000 1.005 107 L CA -1.143 53.691 54.840 -0.010 0.000 0.828 107 L CB 1.347 43.340 42.059 -0.112 0.000 1.227 107 L HN 0.257 nan 8.230 nan 0.000 0.415 122 A N -0.338 122.491 122.820 0.014 0.000 2.066 122 A HA -0.086 4.239 4.320 0.009 0.000 0.218 122 A C 1.687 179.279 177.584 0.013 0.000 1.157 122 A CA 2.208 54.256 52.037 0.018 0.000 0.670 122 A CB -0.695 18.316 19.000 0.017 0.000 0.804 122 A HN 0.601 nan 8.150 nan 0.000 0.453 123 E N -0.605 119.601 120.200 0.010 0.000 2.021 123 E HA -0.317 4.039 4.350 0.009 0.000 0.200 123 E C 2.183 178.790 176.600 0.012 0.000 1.015 123 E CA 1.737 58.142 56.400 0.008 0.000 0.824 123 E CB -0.209 29.495 29.700 0.007 0.000 0.762 123 E HN 0.703 nan 8.360 nan 0.000 0.454 124 Q N 0.886 120.695 119.800 0.015 0.000 2.119 124 Q HA -0.103 4.243 4.340 0.009 0.000 0.201 124 Q C 2.065 178.082 176.000 0.029 0.000 0.972 124 Q CA 1.045 56.860 55.803 0.020 0.000 0.847 124 Q CB -0.169 28.579 28.738 0.018 0.000 0.903 124 Q HN 0.360 nan 8.270 nan 0.000 0.433 125 L N -0.607 120.636 121.223 0.033 0.000 2.056 125 L HA -0.140 4.205 4.340 0.009 0.000 0.207 125 L C 1.918 178.817 176.870 0.048 0.000 1.078 125 L CA 0.905 55.778 54.840 0.055 0.000 0.749 125 L CB -0.245 41.853 42.059 0.065 0.000 0.901 125 L HN 0.362 nan 8.230 nan 0.000 0.433 126 L N -0.308 120.924 121.223 0.015 0.000 2.056 126 L HA -0.170 4.175 4.340 0.009 0.000 0.207 126 L C 2.893 179.754 176.870 -0.016 0.000 1.078 126 L CA 2.155 56.980 54.840 -0.026 0.000 0.749 126 L CB -0.713 41.329 42.059 -0.029 0.000 0.901 126 L HN 0.533 nan 8.230 nan 0.000 0.433 127 S N -1.912 113.793 115.700 0.009 0.000 2.402 127 S HA -0.222 4.253 4.470 0.009 0.000 0.229 127 S C 1.888 176.518 174.600 0.050 0.000 1.021 127 S CA 0.967 59.180 58.200 0.022 0.000 0.974 127 S CB -0.509 62.703 63.200 0.021 0.000 0.800 127 S HN 0.575 nan 8.310 nan 0.000 0.484 128 Q N 1.131 120.969 119.800 0.063 0.000 2.050 128 Q HA 0.004 4.349 4.340 0.009 0.000 0.202 128 Q C 2.636 178.728 176.000 0.154 0.000 0.980 128 Q CA 1.522 57.385 55.803 0.101 0.000 0.840 128 Q CB -0.579 28.213 28.738 0.091 0.000 0.898 128 Q HN 0.774 nan 8.270 nan 0.000 0.424 129 A N 1.242 124.131 122.820 0.115 0.000 1.883 129 A HA -0.233 4.092 4.320 0.009 0.000 0.217 129 A C 1.986 179.636 177.584 0.110 0.000 1.186 129 A CA 1.491 53.583 52.037 0.093 0.000 0.624 129 A CB -0.506 18.315 19.000 -0.297 0.000 0.822 129 A HN 0.237 nan 8.150 nan 0.000 0.444 130 R N -0.632 119.891 120.500 0.039 0.000 2.096 130 R HA -0.214 4.131 4.340 0.009 0.000 0.240 130 R C 2.074 178.443 176.300 0.116 0.000 1.139 130 R CA 1.856 57.987 56.100 0.050 0.000 0.952 130 R CB -0.609 29.699 30.300 0.014 0.000 0.854 130 R HN 0.756 nan 8.270 nan 0.000 0.436 131 D N 0.024 120.503 120.400 0.131 0.000 2.104 131 D HA -0.215 4.431 4.640 0.009 0.000 0.194 131 D C 1.714 178.137 176.300 0.205 0.000 0.994 131 D CA 1.110 55.199 54.000 0.148 0.000 0.830 131 D CB -0.104 40.779 40.800 0.138 0.000 0.959 131 D HN 0.155 nan 8.370 nan 0.000 0.452 132 F N 0.790 120.827 119.950 0.146 0.000 2.102 132 F HA -0.107 4.425 4.527 0.008 0.000 0.298 132 F C 1.928 177.877 175.800 0.247 0.000 1.105 132 F CA 1.099 59.222 58.000 0.205 0.000 1.239 132 F CB -0.243 38.887 39.000 0.217 0.000 0.991 132 F HN 0.004 nan 8.300 nan 0.000 0.474 133 I N 0.999 121.594 120.570 0.040 0.000 2.226 133 I HA -0.306 3.870 4.170 0.009 0.000 0.245 133 I C 2.023 178.233 176.117 0.156 0.000 1.100 133 I CA 1.216 62.561 61.300 0.075 0.000 1.374 133 I CB -1.750 36.389 38.000 0.232 0.000 1.057 133 I HN 0.218 nan 8.210 nan 0.000 0.413 134 N N 0.988 119.797 118.700 0.182 0.000 2.094 134 N HA -0.225 4.520 4.740 0.009 0.000 0.191 134 N C 1.849 177.323 175.510 -0.060 0.000 1.023 134 N CA 1.244 54.368 53.050 0.122 0.000 0.857 134 N CB -0.385 38.189 38.487 0.144 0.000 1.013 134 N HN 0.521 nan 8.380 nan 0.000 0.426 135 Q N -0.924 118.839 119.800 -0.062 0.000 2.079 135 Q HA -0.139 4.207 4.340 0.009 0.000 0.200 135 Q C 1.753 177.537 176.000 -0.360 0.000 0.974 135 Q CA 0.999 56.759 55.803 -0.072 0.000 0.840 135 Q CB -0.171 28.651 28.738 0.139 0.000 0.898 135 Q HN 0.458 nan 8.270 nan 0.000 0.430 136 Y N 0.018 119.871 120.300 -0.746 0.000 2.114 136 Y HA -0.297 4.257 4.550 0.007 0.000 0.284 136 Y C 1.713 177.093 175.900 -0.866 0.000 1.143 136 Y CA 1.640 59.036 58.100 -1.173 0.000 1.135 136 Y CB -0.543 37.299 38.460 -1.030 0.000 0.980 136 Y HN 0.081 nan 8.280 nan 0.000 0.499 137 Y N -0.147 119.773 120.300 -0.633 0.000 2.224 137 Y HA -0.231 4.325 4.550 0.010 0.000 0.289 137 Y C 2.821 178.378 175.900 -0.572 0.000 1.146 137 Y CA 1.842 59.536 58.100 -0.676 0.000 1.182 137 Y CB -0.685 37.263 38.460 -0.854 0.000 0.983 137 Y HN 0.088 nan 8.280 nan 0.000 0.524 138 S N -0.580 114.910 115.700 -0.350 0.000 2.370 138 S HA -0.234 4.241 4.470 0.009 0.000 0.226 138 S C 2.255 176.688 174.600 -0.279 0.000 1.033 138 S CA 1.512 59.565 58.200 -0.246 0.000 1.011 138 S CB -0.645 62.464 63.200 -0.153 0.000 0.852 138 S HN 0.645 nan 8.310 nan 0.000 0.457 139 S N 2.178 117.630 115.700 -0.414 0.000 2.428 139 S HA -0.012 4.463 4.470 0.009 0.000 0.230 139 S C 1.620 175.989 174.600 -0.384 0.000 1.014 139 S CA 0.875 58.864 58.200 -0.352 0.000 0.957 139 S CB -0.745 62.192 63.200 -0.439 0.000 0.784 139 S HN 0.719 nan 8.310 nan 0.000 0.499 140 I N -2.863 117.364 120.570 -0.572 0.000 3.861 140 I HA 0.401 4.577 4.170 0.009 0.000 0.329 140 I C -0.193 175.757 176.117 -0.279 0.000 1.321 140 I CA -0.454 60.575 61.300 -0.451 0.000 1.126 140 I CB -0.100 37.518 38.000 -0.637 0.000 1.018 140 I HN -0.109 nan 8.210 nan 0.000 0.407 141 K N 1.714 121.974 120.400 -0.233 0.000 3.192 141 K HA -0.143 4.182 4.320 0.009 0.000 0.278 141 K C -0.060 176.479 176.600 -0.101 0.000 1.164 141 K CA 0.505 56.708 56.287 -0.140 0.000 0.816 141 K CB -1.803 30.635 32.500 -0.103 0.000 1.256 141 K HN 0.569 nan 8.250 nan 0.000 0.497 142 R N -0.176 120.264 120.500 -0.100 0.000 2.690 142 R HA 0.088 4.433 4.340 0.009 0.000 0.419 142 R C 0.178 176.479 176.300 0.001 0.000 1.090 142 R CA -0.185 55.914 56.100 -0.002 0.000 1.064 142 R CB 0.983 31.340 30.300 0.095 0.000 1.391 142 R HN 0.205 nan 8.270 nan 0.000 0.586 143 S N -0.293 115.359 115.700 -0.079 0.000 2.510 143 S HA 0.348 4.823 4.470 0.009 0.000 0.279 143 S C 1.306 175.957 174.600 0.085 0.000 1.284 143 S CA 1.197 59.339 58.200 -0.097 0.000 1.059 143 S CB 0.628 63.759 63.200 -0.114 0.000 0.901 143 S HN 0.705 nan 8.310 nan 0.000 0.491 144 G N 3.120 112.110 108.800 0.317 0.000 2.195 144 G HA2 -0.277 3.688 3.960 0.009 0.000 0.246 144 G HA3 -0.277 3.688 3.960 0.009 0.000 0.246 144 G C 0.323 175.251 174.900 0.048 0.000 0.984 144 G CA 0.379 45.558 45.100 0.131 0.000 0.633 144 G HN 1.744 nan 8.290 nan 0.000 0.525 145 S N -0.069 115.667 115.700 0.061 0.000 2.608 145 S HA 0.446 4.921 4.470 0.009 0.000 0.261 145 S C 1.439 176.020 174.600 -0.032 0.000 1.314 145 S CA 0.809 59.016 58.200 0.012 0.000 0.992 145 S CB 1.573 64.791 63.200 0.029 0.000 0.935 145 S HN 0.558 nan 8.310 nan 0.000 0.564 146 Q N 1.102 120.884 119.800 -0.030 0.000 2.124 146 Q HA -0.154 4.192 4.340 0.009 0.000 0.202 146 Q C 2.097 178.059 176.000 -0.063 0.000 0.977 146 Q CA 1.981 57.756 55.803 -0.047 0.000 0.850 146 Q CB -0.882 27.841 28.738 -0.025 0.000 0.901 146 Q HN 0.939 nan 8.270 nan 0.000 0.429 147 A N 0.346 123.145 122.820 -0.035 0.000 1.969 147 A HA -0.195 4.131 4.320 0.009 0.000 0.218 147 A C 2.015 179.465 177.584 -0.223 0.000 1.169 147 A CA 1.416 53.439 52.037 -0.023 0.000 0.635 147 A CB -0.955 18.109 19.000 0.107 0.000 0.810 147 A HN 0.707 nan 8.150 nan 0.000 0.445 148 H N -0.503 118.221 119.070 -0.577 0.000 2.326 148 H HA -0.094 4.468 4.556 0.009 0.000 0.301 148 H C 1.749 176.762 175.328 -0.525 0.000 1.081 148 H CA 1.336 56.743 56.048 -1.068 0.000 1.334 148 H CB 0.138 29.438 29.762 -0.770 0.000 1.385 148 H HN 0.448 nan 8.280 nan 0.000 0.504 149 E N 0.691 120.655 120.200 -0.394 0.000 2.150 149 E HA -0.141 4.214 4.350 0.009 0.000 0.193 149 E C 2.065 178.539 176.600 -0.209 0.000 0.985 149 E CA 0.740 56.938 56.400 -0.338 0.000 0.814 149 E CB -0.071 29.493 29.700 -0.226 0.000 0.752 149 E HN 0.684 nan 8.360 nan 0.000 0.466 150 E N 0.483 120.594 120.200 -0.148 0.000 2.107 150 E HA -0.153 4.203 4.350 0.009 0.000 0.191 150 E C 2.152 178.721 176.600 -0.052 0.000 0.982 150 E CA 0.581 56.935 56.400 -0.077 0.000 0.809 150 E CB 0.037 29.714 29.700 -0.038 0.000 0.756 150 E HN -0.091 nan 8.360 nan 0.000 0.459 151 R N 1.139 121.602 120.500 -0.062 0.000 2.092 151 R HA -0.061 4.284 4.340 0.009 0.000 0.231 151 R C 2.027 178.320 176.300 -0.011 0.000 1.119 151 R CA 1.083 57.197 56.100 0.022 0.000 0.970 151 R CB -0.574 29.808 30.300 0.136 0.000 0.864 151 R HN 0.156 nan 8.270 nan 0.000 0.440 152 L N 0.104 121.267 121.223 -0.100 0.000 2.046 152 L HA -0.206 4.139 4.340 0.009 0.000 0.208 152 L C 2.572 179.387 176.870 -0.091 0.000 1.077 152 L CA 1.689 56.461 54.840 -0.113 0.000 0.747 152 L CB -0.411 41.523 42.059 -0.209 0.000 0.896 152 L HN 0.338 nan 8.230 nan 0.000 0.432 153 Q N -0.566 119.183 119.800 -0.086 0.000 2.079 153 Q HA -0.264 4.081 4.340 0.009 0.000 0.200 153 Q C 2.129 178.111 176.000 -0.030 0.000 0.974 153 Q CA 1.591 57.358 55.803 -0.059 0.000 0.840 153 Q CB -0.047 28.657 28.738 -0.055 0.000 0.898 153 Q HN 0.476 nan 8.270 nan 0.000 0.430 154 E N 0.032 120.225 120.200 -0.011 0.000 2.110 154 E HA -0.168 4.187 4.350 0.009 0.000 0.193 154 E C 1.916 178.532 176.600 0.027 0.000 0.988 154 E CA 1.018 57.431 56.400 0.022 0.000 0.804 154 E CB 0.225 29.954 29.700 0.049 0.000 0.745 154 E HN 0.120 nan 8.360 nan 0.000 0.458 155 V N 1.231 121.138 119.914 -0.011 0.000 2.358 155 V HA -0.229 3.896 4.120 0.009 0.000 0.246 155 V C 2.028 178.062 176.094 -0.100 0.000 1.047 155 V CA 2.079 64.326 62.300 -0.088 0.000 1.035 155 V CB -0.469 31.210 31.823 -0.241 0.000 0.658 155 V HN 0.282 nan 8.190 nan 0.000 0.452 156 E N 0.517 120.669 120.200 -0.080 0.000 2.051 156 E HA -0.193 4.162 4.350 0.009 0.000 0.192 156 E C 2.348 178.937 176.600 -0.018 0.000 0.991 156 E CA 1.338 57.704 56.400 -0.057 0.000 0.799 156 E CB -0.393 29.275 29.700 -0.054 0.000 0.748 156 E HN 0.583 nan 8.360 nan 0.000 0.449 157 A N 1.377 124.195 122.820 -0.003 0.000 1.908 157 A HA -0.283 4.043 4.320 0.009 0.000 0.218 157 A C 2.068 179.676 177.584 0.039 0.000 1.181 157 A CA 1.776 53.822 52.037 0.016 0.000 0.627 157 A CB -0.475 18.536 19.000 0.018 0.000 0.818 157 A HN 0.255 nan 8.150 nan 0.000 0.445 158 E N -0.393 119.843 120.200 0.061 0.000 2.072 158 E HA -0.110 4.245 4.350 0.009 0.000 0.191 158 E C 1.875 178.538 176.600 0.105 0.000 0.985 158 E CA 1.283 57.746 56.400 0.105 0.000 0.801 158 E CB -0.070 29.733 29.700 0.172 0.000 0.750 158 E HN 0.356 nan 8.360 nan 0.000 0.452 159 V N 1.167 121.131 119.914 0.084 0.000 2.358 159 V HA -0.232 3.893 4.120 0.009 0.000 0.246 159 V C 2.445 178.567 176.094 0.047 0.000 1.047 159 V CA 1.639 63.983 62.300 0.073 0.000 1.035 159 V CB -0.800 31.048 31.823 0.041 0.000 0.658 159 V HN 0.402 nan 8.190 nan 0.000 0.452 160 A N 0.792 123.630 122.820 0.031 0.000 1.986 160 A HA -0.237 4.089 4.320 0.009 0.000 0.220 160 A C 2.420 180.021 177.584 0.029 0.000 1.171 160 A CA 2.657 54.708 52.037 0.023 0.000 0.640 160 A CB -0.514 18.494 19.000 0.014 0.000 0.811 160 A HN 0.715 nan 8.150 nan 0.000 0.451 161 S N -2.576 113.148 115.700 0.039 0.000 2.506 161 S HA 0.012 4.487 4.470 0.009 0.000 0.219 161 S C 1.518 176.146 174.600 0.046 0.000 1.031 161 S CA 1.046 59.269 58.200 0.039 0.000 0.911 161 S CB -0.281 62.942 63.200 0.039 0.000 0.812 161 S HN 0.771 nan 8.310 nan 0.000 0.497 162 T N -3.362 111.228 114.554 0.059 0.000 2.959 162 T HA 0.548 4.903 4.350 0.009 0.000 0.254 162 T C 1.649 176.381 174.700 0.053 0.000 1.003 162 T CA 0.843 62.981 62.100 0.064 0.000 0.950 162 T CB 0.214 69.137 68.868 0.092 0.000 1.090 162 T HN 1.137 nan 8.240 nan 0.000 0.503 163 G N 0.333 109.164 108.800 0.052 0.000 2.217 163 G HA2 -0.205 3.760 3.960 0.009 0.000 0.246 163 G HA3 -0.205 3.760 3.960 0.009 0.000 0.246 163 G C 0.205 175.134 174.900 0.048 0.000 0.990 163 G CA 0.454 45.579 45.100 0.042 0.000 0.627 163 G HN 0.939 nan 8.290 nan 0.000 0.522 164 T N -1.040 113.549 114.554 0.058 0.000 2.716 164 T HA 0.738 5.093 4.350 0.009 0.000 0.286 164 T C -0.974 173.805 174.700 0.132 0.000 1.052 164 T CA 0.329 62.452 62.100 0.038 0.000 1.024 164 T CB 1.578 70.383 68.868 -0.104 0.000 1.349 164 T HN 1.351 nan 8.240 nan 0.000 0.525 165 Y N -0.907 119.307 120.300 -0.143 0.000 2.829 165 Y HA 0.771 5.326 4.550 0.009 0.000 0.322 165 Y C -1.205 174.535 175.900 -0.266 0.000 1.357 165 Y CA -1.172 56.884 58.100 -0.074 0.000 1.081 165 Y CB 0.989 39.458 38.460 0.016 0.000 1.339 165 Y HN 0.631 nan 8.280 nan 0.000 0.469 166 H N 1.221 120.269 119.070 -0.038 0.000 2.717 166 H HA 0.493 5.055 4.556 0.009 0.000 0.366 166 H C -1.154 174.185 175.328 0.018 0.000 1.132 166 H CA -0.819 55.166 56.048 -0.104 0.000 1.180 166 H CB 2.569 32.329 29.762 -0.004 0.000 1.678 166 H HN 0.609 nan 8.280 nan 0.000 0.537 167 L N 2.986 124.263 121.223 0.090 0.000 2.349 167 L HA 0.293 4.638 4.340 0.009 0.000 0.275 167 L C 1.051 177.990 176.870 0.116 0.000 1.115 167 L CA -0.462 54.462 54.840 0.138 0.000 0.820 167 L CB 0.582 42.694 42.059 0.088 0.000 1.135 167 L HN 0.367 nan 8.230 nan 0.000 0.445 168 R N 1.786 122.339 120.500 0.088 0.000 2.738 168 R HA -0.038 4.307 4.340 0.009 0.000 0.268 168 R C 1.174 177.471 176.300 -0.006 0.000 1.062 168 R CA -0.233 55.885 56.100 0.031 0.000 1.158 168 R CB 0.689 30.985 30.300 -0.006 0.000 1.046 168 R HN 0.692 nan 8.270 nan 0.000 0.493 169 E N 1.406 121.602 120.200 -0.007 0.000 2.065 169 E HA -0.278 4.077 4.350 0.009 0.000 0.201 169 E C 1.516 178.102 176.600 -0.024 0.000 1.016 169 E CA 2.381 58.770 56.400 -0.018 0.000 0.818 169 E CB 0.027 29.721 29.700 -0.010 0.000 0.749 169 E HN 0.688 nan 8.360 nan 0.000 0.453 170 S N -0.162 115.522 115.700 -0.027 0.000 2.423 170 S HA -0.131 4.344 4.470 0.009 0.000 0.231 170 S C 1.719 176.298 174.600 -0.034 0.000 1.014 170 S CA 1.086 59.290 58.200 0.007 0.000 0.965 170 S CB -0.213 63.025 63.200 0.063 0.000 0.785 170 S HN 0.348 nan 8.310 nan 0.000 0.495 171 E N 0.921 120.986 120.200 -0.226 0.000 2.077 171 E HA -0.080 4.275 4.350 0.009 0.000 0.193 171 E C 2.007 178.733 176.600 0.210 0.000 0.989 171 E CA 1.187 57.496 56.400 -0.152 0.000 0.800 171 E CB -0.331 29.297 29.700 -0.119 0.000 0.746 171 E HN 0.465 nan 8.360 nan 0.000 0.452 172 L N 0.780 122.033 121.223 0.051 0.000 2.017 172 L HA -0.152 4.194 4.340 0.009 0.000 0.208 172 L C 2.213 179.068 176.870 -0.026 0.000 1.073 172 L CA 1.386 56.193 54.840 -0.055 0.000 0.745 172 L CB -0.391 41.578 42.059 -0.149 0.000 0.894 172 L HN -0.063 nan 8.230 nan 0.000 0.432 173 V N -0.219 119.708 119.914 0.022 0.000 2.287 173 V HA -0.341 3.785 4.120 0.009 0.000 0.248 173 V C 2.368 178.547 176.094 0.141 0.000 1.053 173 V CA 2.350 64.675 62.300 0.042 0.000 1.027 173 V CB -0.978 30.874 31.823 0.049 0.000 0.646 173 V HN 0.608 nan 8.190 nan 0.000 0.447 174 F N 1.913 121.933 119.950 0.117 0.000 2.102 174 F HA -0.052 4.479 4.527 0.007 0.000 0.298 174 F C 2.161 178.089 175.800 0.213 0.000 1.105 174 F CA 1.842 59.965 58.000 0.204 0.000 1.239 174 F CB -0.872 38.315 39.000 0.312 0.000 0.991 174 F HN 0.122 nan 8.300 nan 0.000 0.474 175 G N -0.259 108.625 108.800 0.140 0.000 2.408 175 G HA2 -0.178 3.787 3.960 0.009 0.000 0.217 175 G HA3 -0.178 3.787 3.960 0.009 0.000 0.217 175 G C 1.809 176.560 174.900 -0.248 0.000 1.150 175 G CA 0.742 45.804 45.100 -0.063 0.000 0.776 175 G HN 0.639 nan 8.290 nan 0.000 0.542 176 A N 0.974 123.680 122.820 -0.189 0.000 1.902 176 A HA -0.019 4.306 4.320 0.009 0.000 0.217 176 A C 2.309 179.851 177.584 -0.069 0.000 1.181 176 A CA 1.988 53.916 52.037 -0.182 0.000 0.623 176 A CB -0.345 18.579 19.000 -0.127 0.000 0.818 176 A HN 0.383 nan 8.150 nan 0.000 0.443 177 K N -1.120 119.285 120.400 0.009 0.000 2.097 177 K HA -0.152 4.173 4.320 0.009 0.000 0.205 177 K C 2.344 178.960 176.600 0.027 0.000 1.050 177 K CA 1.449 57.853 56.287 0.195 0.000 0.938 177 K CB -0.119 32.574 32.500 0.322 0.000 0.718 177 K HN 0.438 nan 8.250 nan 0.000 0.442 178 Q N 0.853 120.487 119.800 -0.276 0.000 2.084 178 Q HA -0.097 4.248 4.340 0.009 0.000 0.202 178 Q C 1.916 177.724 176.000 -0.320 0.000 0.978 178 Q CA 1.815 57.352 55.803 -0.443 0.000 0.844 178 Q CB -0.264 28.079 28.738 -0.658 0.000 0.898 178 Q HN 0.336 nan 8.270 nan 0.000 0.426 179 A N -0.537 122.088 122.820 -0.326 0.000 1.908 179 A HA -0.206 4.119 4.320 0.009 0.000 0.218 179 A C 1.839 179.334 177.584 -0.147 0.000 1.181 179 A CA 1.598 53.369 52.037 -0.442 0.000 0.627 179 A CB -1.245 17.170 19.000 -0.975 0.000 0.818 179 A HN 0.720 nan 8.150 nan 0.000 0.445 180 W N 0.790 122.009 121.300 -0.134 0.000 2.379 180 W HA -0.100 4.564 4.660 0.007 0.000 0.307 180 W C 2.355 178.826 176.519 -0.081 0.000 1.200 180 W CA 1.454 58.817 57.345 0.030 0.000 1.297 180 W CB -0.721 28.771 29.460 0.053 0.000 1.140 180 W HN 0.357 nan 8.180 nan 0.000 0.507 181 R N 0.286 120.684 120.500 -0.170 0.000 2.103 181 R HA -0.205 4.140 4.340 0.009 0.000 0.242 181 R C 1.630 177.754 176.300 -0.294 0.000 1.142 181 R CA 1.903 57.689 56.100 -0.523 0.000 0.960 181 R CB -0.593 29.074 30.300 -1.055 0.000 0.858 181 R HN 0.109 nan 8.270 nan 0.000 0.439 182 N N 0.221 118.794 118.700 -0.212 0.000 2.467 182 N HA 0.003 4.748 4.740 0.009 0.000 0.184 182 N C -0.324 175.128 175.510 -0.097 0.000 1.106 182 N CA 0.661 53.616 53.050 -0.157 0.000 0.892 182 N CB 0.273 38.666 38.487 -0.156 0.000 0.969 182 N HN 0.174 nan 8.380 nan 0.000 0.454 183 A N 1.858 124.670 122.820 -0.013 0.000 2.444 183 A HA 0.261 4.586 4.320 0.009 0.000 0.287 183 A C -1.321 176.249 177.584 -0.023 0.000 1.195 183 A CA -0.953 51.092 52.037 0.012 0.000 0.858 183 A CB 0.381 19.454 19.000 0.123 0.000 1.117 183 A HN -0.002 nan 8.150 nan 0.000 0.521 184 P HA -0.060 nan 4.420 nan 0.000 0.226 184 P C 1.106 178.362 177.300 -0.073 0.000 1.153 184 P CA 1.012 64.058 63.100 -0.090 0.000 0.777 184 P CB 0.202 31.814 31.700 -0.147 0.000 0.794 185 R N -2.229 118.198 120.500 -0.121 0.000 2.334 185 R HA 0.153 4.499 4.340 0.009 0.000 0.216 185 R C 0.183 176.496 176.300 0.022 0.000 0.905 185 R CA -0.108 55.924 56.100 -0.112 0.000 1.064 185 R CB -0.227 29.810 30.300 -0.438 0.000 1.046 185 R HN 0.167 nan 8.270 nan 0.000 0.508 186 C N 0.461 119.772 119.300 0.019 0.000 2.285 186 C HA 0.241 4.706 4.460 0.009 0.000 0.335 186 C C 1.841 176.819 174.990 -0.019 0.000 1.267 186 C CA -0.676 58.379 59.018 0.061 0.000 1.762 186 C CB 0.675 28.520 27.740 0.176 0.000 2.365 186 C HN 0.260 nan 8.230 nan 0.000 0.527 187 V N 6.003 125.852 119.914 -0.107 0.000 3.406 187 V HA 0.197 4.322 4.120 0.009 0.000 0.263 187 V C 1.857 177.992 176.094 0.068 0.000 1.172 187 V CA 2.057 64.194 62.300 -0.272 0.000 1.140 187 V CB -0.141 31.517 31.823 -0.274 0.000 0.784 187 V HN 1.085 nan 8.190 nan 0.000 0.467 188 G N -0.605 108.262 108.800 0.111 0.000 3.262 188 G HA2 -0.013 3.952 3.960 0.009 0.000 0.228 188 G HA3 -0.013 3.952 3.960 0.009 0.000 0.228 188 G C 1.323 176.274 174.900 0.085 0.000 1.197 188 G CA -0.263 44.917 45.100 0.134 0.000 0.819 188 G HN 0.441 nan 8.290 nan 0.000 0.531 189 R N -0.350 120.122 120.500 -0.047 0.000 2.280 189 R HA 0.144 4.489 4.340 0.009 0.000 0.207 189 R C 2.056 177.937 176.300 -0.698 0.000 1.043 189 R CA 0.086 55.880 56.100 -0.511 0.000 1.006 189 R CB -0.162 29.808 30.300 -0.549 0.000 0.885 189 R HN 0.441 nan 8.270 nan 0.000 0.467 190 I N 1.001 121.326 120.570 -0.409 0.000 2.530 190 I HA -0.273 3.903 4.170 0.009 0.000 0.257 190 I C 1.357 177.376 176.117 -0.163 0.000 1.179 190 I CA 1.315 62.534 61.300 -0.135 0.000 1.440 190 I CB 0.176 38.200 38.000 0.040 0.000 1.087 190 I HN 0.185 nan 8.210 nan 0.000 0.440 191 Q N 0.255 119.900 119.800 -0.259 0.000 2.360 191 Q HA -0.094 4.251 4.340 0.009 0.000 0.202 191 Q C 1.596 177.193 176.000 -0.672 0.000 0.915 191 Q CA 0.376 56.025 55.803 -0.258 0.000 0.943 191 Q CB -0.202 28.544 28.738 0.014 0.000 1.064 191 Q HN 0.794 nan 8.270 nan 0.000 0.511 192 W N 0.112 120.750 121.300 -1.104 0.000 2.331 192 W HA -0.131 4.536 4.660 0.012 0.000 0.291 192 W C 1.152 177.361 176.519 -0.516 0.000 1.214 192 W CA 1.217 57.732 57.345 -1.384 0.000 1.228 192 W CB -1.177 27.659 29.460 -1.042 0.000 1.135 192 W HN 0.085 nan 8.180 nan 0.000 0.537 193 G N 1.136 109.163 108.800 -1.288 0.000 2.650 193 G HA2 -0.163 3.802 3.960 0.009 0.000 0.214 193 G HA3 -0.163 3.802 3.960 0.009 0.000 0.214 193 G C 0.744 175.393 174.900 -0.419 0.000 1.136 193 G CA 0.009 44.442 45.100 -1.111 0.000 0.789 193 G HN 0.208 nan 8.290 nan 0.000 0.536 194 K N 0.270 120.530 120.400 -0.233 0.000 2.414 194 K HA 0.512 4.837 4.320 0.009 0.000 0.251 194 K C -1.804 174.895 176.600 0.164 0.000 1.037 194 K CA -0.688 55.586 56.287 -0.022 0.000 0.980 194 K CB 0.596 33.108 32.500 0.020 0.000 1.280 194 K HN 0.078 nan 8.250 nan 0.000 0.451 195 L N 3.319 124.622 121.223 0.134 0.000 2.516 195 L HA 0.279 4.624 4.340 0.009 0.000 0.267 195 L C -1.298 175.562 176.870 -0.017 0.000 0.957 195 L CA -0.387 54.552 54.840 0.165 0.000 0.860 195 L CB 1.930 44.175 42.059 0.310 0.000 1.265 195 L HN 0.434 nan 8.230 nan 0.000 0.403 196 Q N 3.092 122.826 119.800 -0.109 0.000 2.307 196 Q HA 0.404 4.750 4.340 0.009 0.000 0.261 196 Q C -1.258 174.394 176.000 -0.581 0.000 1.051 196 Q CA 0.170 55.720 55.803 -0.421 0.000 0.911 196 Q CB 0.811 29.177 28.738 -0.619 0.000 1.227 196 Q HN 0.517 nan 8.270 nan 0.000 0.418 197 V N 6.598 126.214 119.914 -0.496 0.000 2.334 197 V HA 0.290 4.415 4.120 0.009 0.000 0.267 197 V C -0.474 175.325 176.094 -0.491 0.000 1.040 197 V CA -0.454 61.617 62.300 -0.382 0.000 0.866 197 V CB -0.213 31.490 31.823 -0.201 0.000 1.019 197 V HN 0.579 nan 8.190 nan 0.000 0.468 198 F N 2.705 122.533 119.950 -0.204 0.000 2.404 198 F HA 0.342 4.871 4.527 0.004 0.000 0.358 198 F C 0.658 176.288 175.800 -0.284 0.000 1.120 198 F CA -0.832 57.031 58.000 -0.229 0.000 1.144 198 F CB 0.750 39.614 39.000 -0.227 0.000 1.133 198 F HN 0.392 nan 8.300 nan 0.000 0.495 199 D N 3.202 123.560 120.400 -0.070 0.000 2.336 199 D HA 0.383 5.028 4.640 0.009 0.000 0.249 199 D C 0.034 176.156 176.300 -0.297 0.000 1.213 199 D CA 0.139 54.033 54.000 -0.175 0.000 0.870 199 D CB 1.156 41.894 40.800 -0.103 0.000 1.076 199 D HN 0.631 nan 8.370 nan 0.000 0.483 200 A N 4.587 127.077 122.820 -0.550 0.000 2.676 200 A HA 0.162 4.487 4.320 0.009 0.000 0.297 200 A C 1.443 178.727 177.584 -0.500 0.000 1.132 200 A CA -0.407 51.078 52.037 -0.920 0.000 0.972 200 A CB 0.068 17.929 19.000 -1.900 0.000 1.197 200 A HN 0.535 nan 8.150 nan 0.000 0.524 201 R N 0.605 120.955 120.500 -0.250 0.000 2.339 201 R HA -0.066 4.279 4.340 0.009 0.000 0.199 201 R C 0.661 176.930 176.300 -0.051 0.000 1.018 201 R CA 1.131 57.166 56.100 -0.108 0.000 1.036 201 R CB 0.075 30.373 30.300 -0.003 0.000 0.899 201 R HN 0.670 nan 8.270 nan 0.000 0.473 202 D N -0.659 119.727 120.400 -0.023 0.000 2.350 202 D HA -0.068 4.578 4.640 0.009 0.000 0.213 202 D C 0.472 176.851 176.300 0.132 0.000 1.031 202 D CA -0.228 53.810 54.000 0.064 0.000 0.861 202 D CB -0.540 40.316 40.800 0.093 0.000 0.926 202 D HN -0.007 nan 8.370 nan 0.000 0.520 203 C N 1.984 121.368 119.300 0.140 0.000 2.634 203 C HA 0.340 4.806 4.460 0.009 0.000 0.418 203 C C 1.602 176.761 174.990 0.281 0.000 1.373 203 C CA 0.629 59.818 59.018 0.286 0.000 1.756 203 C CB -0.667 27.314 27.740 0.400 0.000 2.589 203 C HN 0.452 nan 8.230 nan 0.000 0.602 204 S N 2.611 118.512 115.700 0.336 0.000 2.847 204 S HA 0.325 4.800 4.470 0.009 0.000 0.254 204 S C -0.051 174.717 174.600 0.280 0.000 1.039 204 S CA 0.245 58.655 58.200 0.350 0.000 1.113 204 S CB -0.260 63.071 63.200 0.219 0.000 1.092 204 S HN 1.303 nan 8.310 nan 0.000 0.620 205 S N -0.388 115.481 115.700 0.282 0.000 2.625 205 S HA 0.819 5.294 4.470 0.009 0.000 0.271 205 S C 0.860 175.557 174.600 0.162 0.000 1.161 205 S CA -0.294 58.010 58.200 0.173 0.000 0.820 205 S CB 0.887 64.164 63.200 0.127 0.000 1.137 205 S HN 0.544 nan 8.310 nan 0.000 0.470 206 A N 0.625 123.508 122.820 0.105 0.000 1.933 206 A HA -0.055 4.270 4.320 0.009 0.000 0.218 206 A C 2.131 179.717 177.584 0.003 0.000 1.175 206 A CA 2.183 54.273 52.037 0.087 0.000 0.628 206 A CB -1.261 17.841 19.000 0.171 0.000 0.814 206 A HN 0.873 nan 8.150 nan 0.000 0.444 207 Q N 0.158 120.032 119.800 0.123 0.000 2.061 207 Q HA -0.208 4.137 4.340 0.009 0.000 0.204 207 Q C 1.936 177.935 176.000 -0.003 0.000 0.984 207 Q CA 2.394 58.235 55.803 0.063 0.000 0.846 207 Q CB -0.415 28.435 28.738 0.186 0.000 0.902 207 Q HN 0.746 nan 8.270 nan 0.000 0.421 208 E N -0.790 119.449 120.200 0.066 0.000 2.085 208 E HA -0.212 4.143 4.350 0.009 0.000 0.194 208 E C 1.949 178.655 176.600 0.177 0.000 0.994 208 E CA 1.400 57.851 56.400 0.085 0.000 0.801 208 E CB -0.134 29.663 29.700 0.160 0.000 0.743 208 E HN 0.450 nan 8.360 nan 0.000 0.453 209 M N -0.221 119.478 119.600 0.165 0.000 2.106 209 M HA -0.191 4.294 4.480 0.009 0.000 0.259 209 M C 2.106 178.466 176.300 0.100 0.000 1.068 209 M CA 1.382 56.751 55.300 0.114 0.000 1.100 209 M CB -0.361 32.082 32.600 -0.262 0.000 1.351 209 M HN 0.204 nan 8.290 nan 0.000 0.404 210 F N 1.188 120.940 119.950 -0.330 0.000 2.075 210 F HA -0.209 4.325 4.527 0.011 0.000 0.297 210 F C 2.370 178.056 175.800 -0.189 0.000 1.113 210 F CA 2.055 59.793 58.000 -0.436 0.000 1.218 210 F CB -0.946 37.461 39.000 -0.989 0.000 0.984 210 F HN 0.058 nan 8.300 nan 0.000 0.472 211 T N -0.060 114.333 114.554 -0.269 0.000 2.624 211 T HA -0.298 4.058 4.350 0.009 0.000 0.268 211 T C 1.753 176.284 174.700 -0.282 0.000 1.041 211 T CA 2.144 64.041 62.100 -0.339 0.000 1.159 211 T CB -0.969 67.736 68.868 -0.272 0.000 0.863 211 T HN 0.282 nan 8.240 nan 0.000 0.434 212 Y N 1.011 121.261 120.300 -0.085 0.000 2.102 212 Y HA -0.114 4.440 4.550 0.007 0.000 0.280 212 Y C 2.285 178.138 175.900 -0.079 0.000 1.178 212 Y CA 0.603 58.667 58.100 -0.060 0.000 1.146 212 Y CB -0.728 37.790 38.460 0.097 0.000 0.968 212 Y HN 0.225 nan 8.280 nan 0.000 0.504 213 I N -1.858 118.779 120.570 0.112 0.000 2.394 213 I HA -0.316 3.860 4.170 0.009 0.000 0.251 213 I C 2.289 178.349 176.117 -0.095 0.000 1.136 213 I CA 0.812 62.127 61.300 0.024 0.000 1.425 213 I CB -0.402 37.613 38.000 0.025 0.000 1.079 213 I HN 0.254 nan 8.210 nan 0.000 0.425 214 C N 0.614 119.746 119.300 -0.280 0.000 2.440 214 C HA -0.093 4.372 4.460 0.009 0.000 0.278 214 C C 2.611 177.504 174.990 -0.162 0.000 1.295 214 C CA 0.680 59.521 59.018 -0.296 0.000 1.738 214 C CB -1.305 26.129 27.740 -0.511 0.000 1.987 214 C HN 0.541 nan 8.230 nan 0.000 0.492 215 N N 0.144 118.741 118.700 -0.173 0.000 2.120 215 N HA -0.137 4.608 4.740 0.009 0.000 0.188 215 N C 1.417 176.839 175.510 -0.147 0.000 1.024 215 N CA 1.430 54.374 53.050 -0.178 0.000 0.852 215 N CB -0.819 37.511 38.487 -0.262 0.000 1.003 215 N HN 0.734 nan 8.380 nan 0.000 0.424 216 H N 0.596 119.531 119.070 -0.226 0.000 2.290 216 H HA 0.023 4.586 4.556 0.011 0.000 0.298 216 H C 2.104 177.458 175.328 0.042 0.000 1.087 216 H CA 1.784 57.761 56.048 -0.119 0.000 1.291 216 H CB -0.119 29.616 29.762 -0.045 0.000 1.369 216 H HN 0.095 nan 8.280 nan 0.000 0.492 217 I N 0.470 121.187 120.570 0.244 0.000 2.179 217 I HA -0.272 3.903 4.170 0.009 0.000 0.242 217 I C 2.490 178.674 176.117 0.111 0.000 1.088 217 I CA 1.428 62.835 61.300 0.177 0.000 1.357 217 I CB -0.256 37.781 38.000 0.062 0.000 1.051 217 I HN 0.308 nan 8.210 nan 0.000 0.409 218 K N -0.027 120.408 120.400 0.057 0.000 1.991 218 K HA -0.257 4.068 4.320 0.009 0.000 0.212 218 K C 2.249 178.884 176.600 0.060 0.000 1.049 218 K CA 2.039 58.347 56.287 0.035 0.000 0.932 218 K CB -0.531 31.970 32.500 0.002 0.000 0.717 218 K HN 0.196 nan 8.250 nan 0.000 0.441 219 Y N 1.251 121.539 120.300 -0.021 0.000 2.069 219 Y HA -0.351 4.201 4.550 0.004 0.000 0.278 219 Y C 2.209 178.146 175.900 0.062 0.000 1.175 219 Y CA 2.008 60.126 58.100 0.029 0.000 1.134 219 Y CB -0.389 38.104 38.460 0.054 0.000 0.965 219 Y HN 0.117 nan 8.280 nan 0.000 0.498 220 A N -1.286 121.660 122.820 0.210 0.000 1.969 220 A HA -0.124 4.201 4.320 0.009 0.000 0.218 220 A C 2.182 179.820 177.584 0.089 0.000 1.169 220 A CA 2.029 54.168 52.037 0.171 0.000 0.635 220 A CB -1.122 18.011 19.000 0.222 0.000 0.810 220 A HN 0.531 nan 8.150 nan 0.000 0.445 221 T N -0.368 114.232 114.554 0.076 0.000 2.809 221 T HA -0.061 4.294 4.350 0.009 0.000 0.260 221 T C 1.067 175.771 174.700 0.007 0.000 1.039 221 T CA 1.115 63.255 62.100 0.067 0.000 1.141 221 T CB -0.354 68.554 68.868 0.066 0.000 0.869 221 T HN 0.626 nan 8.240 nan 0.000 0.437 222 N N 1.091 119.765 118.700 -0.043 0.000 2.716 222 N HA -0.247 4.498 4.740 0.009 0.000 0.250 222 N C -0.224 175.256 175.510 -0.049 0.000 1.033 222 N CA 0.528 53.527 53.050 -0.085 0.000 0.727 222 N CB -1.367 37.029 38.487 -0.152 0.000 0.950 222 N HN 0.467 nan 8.380 nan 0.000 0.541 223 R N -2.198 118.286 120.500 -0.027 0.000 3.627 223 R HA -0.219 4.126 4.340 0.009 0.000 0.281 223 R C 1.273 177.558 176.300 -0.026 0.000 1.140 223 R CA 1.241 57.327 56.100 -0.024 0.000 0.761 223 R CB -1.890 28.393 30.300 -0.029 0.000 1.181 223 R HN 0.997 nan 8.270 nan 0.000 0.472 224 G N -0.450 108.342 108.800 -0.012 0.000 2.232 224 G HA2 -0.325 3.640 3.960 0.009 0.000 0.226 224 G HA3 -0.325 3.640 3.960 0.009 0.000 0.226 224 G C -0.017 174.871 174.900 -0.021 0.000 0.996 224 G CA 0.052 45.146 45.100 -0.010 0.000 0.626 224 G HN 0.378 nan 8.290 nan 0.000 0.509 225 N N 1.441 120.116 118.700 -0.041 0.000 3.124 225 N HA 0.442 5.187 4.740 0.009 0.000 0.284 225 N C 0.435 175.917 175.510 -0.046 0.000 1.209 225 N CA -0.373 52.636 53.050 -0.069 0.000 1.149 225 N CB -0.344 38.098 38.487 -0.075 0.000 1.434 225 N HN 0.242 nan 8.380 nan 0.000 0.529 226 L N 1.893 123.115 121.223 -0.000 0.000 2.506 226 L HA 0.144 4.490 4.340 0.009 0.000 0.281 226 L C 0.819 177.828 176.870 0.231 0.000 1.228 226 L CA 0.876 55.800 54.840 0.140 0.000 0.850 226 L CB 0.260 42.493 42.059 0.290 0.000 1.110 226 L HN 0.337 nan 8.230 nan 0.000 0.496 227 R N 1.407 122.050 120.500 0.239 0.000 2.532 227 R HA 0.397 4.742 4.340 0.009 0.000 0.297 227 R C -0.659 175.813 176.300 0.287 0.000 0.984 227 R CA -0.682 55.578 56.100 0.266 0.000 0.884 227 R CB 1.695 32.031 30.300 0.061 0.000 1.182 227 R HN 0.567 nan 8.270 nan 0.000 0.442 228 S N 1.583 117.442 115.700 0.265 0.000 2.537 228 S HA 0.373 4.848 4.470 0.009 0.000 0.286 228 S C -0.210 174.443 174.600 0.089 0.000 1.299 228 S CA -0.025 58.224 58.200 0.083 0.000 1.067 228 S CB 0.971 64.174 63.200 0.005 0.000 0.864 228 S HN 0.686 nan 8.310 nan 0.000 0.494 229 A N 3.002 125.837 122.820 0.026 0.000 2.606 229 A HA 0.827 5.152 4.320 0.009 0.000 0.293 229 A C -1.225 176.421 177.584 0.103 0.000 1.082 229 A CA -0.663 51.347 52.037 -0.044 0.000 0.685 229 A CB 1.234 20.154 19.000 -0.133 0.000 1.284 229 A HN 0.798 nan 8.150 nan 0.000 0.408 230 I N 0.550 121.188 120.570 0.113 0.000 2.656 230 I HA 0.622 4.797 4.170 0.009 0.000 0.292 230 I C -1.185 175.074 176.117 0.236 0.000 1.144 230 I CA -0.129 61.339 61.300 0.280 0.000 1.038 230 I CB 2.388 40.491 38.000 0.171 0.000 1.244 230 I HN 0.610 nan 8.210 nan 0.000 0.420 231 T N 6.383 121.091 114.554 0.257 0.000 2.779 231 T HA 0.469 4.824 4.350 0.009 0.000 0.280 231 T C -0.696 173.849 174.700 -0.257 0.000 0.987 231 T CA -0.392 61.705 62.100 -0.005 0.000 0.966 231 T CB 1.594 70.439 68.868 -0.039 0.000 0.933 231 T HN 0.271 nan 8.240 nan 0.000 0.442 232 V N 4.914 124.590 119.914 -0.397 0.000 2.328 232 V HA 0.475 4.600 4.120 0.009 0.000 0.278 232 V C -0.416 175.376 176.094 -0.503 0.000 1.021 232 V CA -0.818 61.262 62.300 -0.367 0.000 0.838 232 V CB 0.018 31.595 31.823 -0.410 0.000 0.999 232 V HN 0.722 nan 8.190 nan 0.000 0.447 233 F N 5.287 125.162 119.950 -0.126 0.000 2.362 233 F HA 0.531 5.064 4.527 0.011 0.000 0.311 233 F C -1.763 173.926 175.800 -0.185 0.000 1.161 233 F CA -2.308 55.528 58.000 -0.273 0.000 1.085 233 F CB 0.242 39.047 39.000 -0.326 0.000 1.311 233 F HN 0.290 nan 8.300 nan 0.000 0.524 234 P HA 0.047 nan 4.420 nan 0.000 0.270 234 P C -1.284 176.016 177.300 -0.001 0.000 1.223 234 P CA -0.361 62.657 63.100 -0.136 0.000 0.785 234 P CB 0.284 31.829 31.700 -0.259 0.000 0.923 235 Q N 1.444 121.178 119.800 -0.111 0.000 2.260 235 Q HA 0.298 4.643 4.340 0.009 0.000 0.242 235 Q C 0.032 175.932 176.000 -0.165 0.000 0.932 235 Q CA -0.928 54.615 55.803 -0.433 0.000 0.891 235 Q CB 0.925 29.132 28.738 -0.886 0.000 1.222 235 Q HN 0.281 nan 8.270 nan 0.000 0.453 236 R N 0.508 120.902 120.500 -0.176 0.000 2.523 236 R HA 0.125 4.470 4.340 0.009 0.000 0.281 236 R C -1.098 175.150 176.300 -0.087 0.000 0.969 236 R CA 0.704 56.757 56.100 -0.077 0.000 1.093 236 R CB 0.118 30.367 30.300 -0.085 0.000 0.917 236 R HN 0.702 nan 8.270 nan 0.000 0.408 237 A N 6.458 129.265 122.820 -0.021 0.000 2.355 237 A HA 0.554 4.879 4.320 0.009 0.000 0.324 237 A C -2.336 175.242 177.584 -0.010 0.000 1.117 237 A CA -1.831 50.197 52.037 -0.015 0.000 0.785 237 A CB 1.177 20.195 19.000 0.030 0.000 1.254 237 A HN 0.669 nan 8.150 nan 0.000 0.453 238 P HA 0.213 nan 4.420 nan 0.000 0.267 238 P C 0.676 177.980 177.300 0.007 0.000 1.209 238 P CA 1.364 64.462 63.100 -0.003 0.000 0.763 238 P CB 0.480 32.181 31.700 0.001 0.000 0.816 239 G N 2.720 111.523 108.800 0.005 0.000 2.372 239 G HA2 -0.233 3.733 3.960 0.009 0.000 0.297 239 G HA3 -0.233 3.733 3.960 0.009 0.000 0.297 239 G C 0.010 174.916 174.900 0.010 0.000 1.005 239 G CA -0.017 45.088 45.100 0.007 0.000 1.173 239 G HN 0.867 nan 8.290 nan 0.000 0.511 240 R N -0.438 120.067 120.500 0.007 0.000 2.633 240 R HA 0.476 4.821 4.340 0.009 0.000 0.255 240 R C 0.535 176.833 176.300 -0.003 0.000 1.106 240 R CA 0.019 56.122 56.100 0.005 0.000 0.959 240 R CB 0.586 30.898 30.300 0.020 0.000 1.259 240 R HN 0.880 nan 8.270 nan 0.000 0.453 241 G N 1.920 110.706 108.800 -0.023 0.000 2.594 241 G HA2 0.126 4.092 3.960 0.009 0.000 0.243 241 G HA3 0.126 4.092 3.960 0.009 0.000 0.243 241 G C -0.398 174.477 174.900 -0.041 0.000 1.229 241 G CA -0.235 44.846 45.100 -0.031 0.000 0.843 241 G HN 0.536 nan 8.290 nan 0.000 0.578 242 D N -0.317 120.079 120.400 -0.007 0.000 2.339 242 D HA 0.268 4.913 4.640 0.009 0.000 0.245 242 D C 0.007 176.309 176.300 0.004 0.000 1.115 242 D CA 0.141 54.169 54.000 0.048 0.000 0.917 242 D CB 0.771 41.614 40.800 0.072 0.000 1.192 242 D HN 0.114 nan 8.370 nan 0.000 0.428 243 F N 1.666 121.641 119.950 0.042 0.000 2.456 243 F HA 0.274 4.807 4.527 0.010 0.000 0.358 243 F C 1.114 176.943 175.800 0.047 0.000 1.095 243 F CA 0.151 58.164 58.000 0.021 0.000 1.216 243 F CB 0.556 39.561 39.000 0.008 0.000 1.125 243 F HN -0.183 nan 8.300 nan 0.000 0.549 244 R N 3.896 124.519 120.500 0.205 0.000 2.604 244 R HA 0.483 4.829 4.340 0.009 0.000 0.281 244 R C -1.160 175.280 176.300 0.234 0.000 1.020 244 R CA -0.860 55.379 56.100 0.233 0.000 0.899 244 R CB 2.102 32.582 30.300 0.300 0.000 1.205 244 R HN 0.614 nan 8.270 nan 0.000 0.450 245 I N 2.039 122.731 120.570 0.204 0.000 2.331 245 I HA 0.165 4.340 4.170 0.009 0.000 0.292 245 I C 0.604 176.935 176.117 0.358 0.000 0.998 245 I CA -0.376 61.045 61.300 0.202 0.000 1.267 245 I CB 1.032 39.091 38.000 0.099 0.000 1.386 245 I HN 0.506 nan 8.210 nan 0.000 0.476 246 W N 3.313 124.654 121.300 0.069 0.000 2.453 246 W HA -0.019 4.646 4.660 0.009 0.000 0.289 246 W C 0.891 177.509 176.519 0.165 0.000 1.215 246 W CA 0.006 57.456 57.345 0.175 0.000 1.297 246 W CB -0.804 28.738 29.460 0.137 0.000 1.113 246 W HN 0.400 nan 8.180 nan 0.000 0.551 247 N N 0.180 119.036 118.700 0.261 0.000 2.479 247 N HA 0.019 4.764 4.740 0.009 0.000 0.257 247 N C 1.279 176.851 175.510 0.102 0.000 1.232 247 N CA 0.832 53.962 53.050 0.133 0.000 0.920 247 N CB 0.732 39.234 38.487 0.026 0.000 1.105 247 N HN -0.088 nan 8.380 nan 0.000 0.444 248 S N 0.751 116.503 115.700 0.087 0.000 2.436 248 S HA -0.032 4.443 4.470 0.009 0.000 0.228 248 S C 0.323 174.920 174.600 -0.005 0.000 1.014 248 S CA 0.615 58.852 58.200 0.062 0.000 0.950 248 S CB 0.032 63.289 63.200 0.095 0.000 0.784 248 S HN 0.652 nan 8.310 nan 0.000 0.504 249 Q N -0.705 119.077 119.800 -0.029 0.000 2.456 249 Q HA 0.508 4.854 4.340 0.009 0.000 0.283 249 Q C 0.288 176.209 176.000 -0.132 0.000 1.084 249 Q CA -0.623 55.125 55.803 -0.092 0.000 0.801 249 Q CB 1.871 30.582 28.738 -0.045 0.000 1.434 249 Q HN 0.106 nan 8.270 nan 0.000 0.419 250 L N 0.057 121.179 121.223 -0.167 0.000 2.083 250 L HA -0.005 4.341 4.340 0.009 0.000 0.209 250 L C 0.389 177.123 176.870 -0.226 0.000 1.083 250 L CA 0.925 55.666 54.840 -0.163 0.000 0.752 250 L CB 0.107 42.067 42.059 -0.165 0.000 0.899 250 L HN 0.275 nan 8.230 nan 0.000 0.433 251 V N 0.507 120.204 119.914 -0.362 0.000 2.487 251 V HA 0.501 4.627 4.120 0.009 0.000 0.298 251 V C -0.220 175.294 176.094 -0.965 0.000 1.028 251 V CA -0.693 61.208 62.300 -0.665 0.000 0.860 251 V CB 1.833 33.154 31.823 -0.837 0.000 0.991 251 V HN 0.185 nan 8.190 nan 0.000 0.427 252 R N 2.468 122.516 120.500 -0.754 0.000 2.680 252 R HA 0.502 4.847 4.340 0.009 0.000 0.269 252 R C -1.907 174.152 176.300 -0.402 0.000 1.026 252 R CA -0.836 54.974 56.100 -0.483 0.000 0.889 252 R CB 2.537 32.740 30.300 -0.163 0.000 1.241 252 R HN 0.573 nan 8.270 nan 0.000 0.463 253 Y N 0.245 120.543 120.300 -0.003 0.000 2.352 253 Y HA 0.467 5.023 4.550 0.009 0.000 0.326 253 Y C 0.875 176.742 175.900 -0.055 0.000 1.166 253 Y CA -0.591 57.516 58.100 0.010 0.000 1.182 253 Y CB 1.190 39.724 38.460 0.124 0.000 1.216 253 Y HN 0.689 nan 8.280 nan 0.000 0.474 254 A N 1.193 124.056 122.820 0.071 0.000 2.425 254 A HA 0.543 4.869 4.320 0.009 0.000 0.242 254 A C 0.514 177.875 177.584 -0.372 0.000 1.077 254 A CA 0.323 52.234 52.037 -0.211 0.000 0.781 254 A CB -0.326 18.453 19.000 -0.368 0.000 1.020 254 A HN 0.933 nan 8.150 nan 0.000 0.494 255 G N 0.641 109.204 108.800 -0.395 0.000 2.675 255 G HA2 0.540 4.505 3.960 0.009 0.000 0.297 255 G HA3 0.540 4.505 3.960 0.009 0.000 0.297 255 G C -1.236 173.492 174.900 -0.288 0.000 1.399 255 G CA -0.261 44.643 45.100 -0.326 0.000 0.981 255 G HN 0.482 nan 8.290 nan 0.000 0.519 256 Y N 1.260 121.575 120.300 0.025 0.000 2.341 256 Y HA 0.435 4.991 4.550 0.009 0.000 0.340 256 Y C 0.972 176.873 175.900 0.002 0.000 0.997 256 Y CA -1.200 56.913 58.100 0.022 0.000 1.149 256 Y CB 1.334 39.801 38.460 0.012 0.000 1.171 256 Y HN 0.468 nan 8.280 nan 0.000 0.494 257 R N 3.344 123.934 120.500 0.150 0.000 2.351 257 R HA 0.115 4.461 4.340 0.009 0.000 0.318 257 R C -0.306 176.036 176.300 0.070 0.000 1.055 257 R CA -0.397 55.752 56.100 0.081 0.000 0.968 257 R CB 0.343 30.677 30.300 0.056 0.000 0.974 257 R HN 0.613 nan 8.270 nan 0.000 0.439 258 Q N 2.076 121.906 119.800 0.051 0.000 2.312 258 Q HA -0.036 4.310 4.340 0.009 0.000 0.236 258 Q C 0.615 176.625 176.000 0.017 0.000 0.965 258 Q CA -0.005 55.816 55.803 0.031 0.000 0.894 258 Q CB 0.978 29.731 28.738 0.025 0.000 1.225 258 Q HN 0.652 nan 8.270 nan 0.000 0.478 259 Q N 0.726 120.530 119.800 0.006 0.000 2.376 259 Q HA -0.163 4.182 4.340 0.009 0.000 0.211 259 Q C -0.198 175.803 176.000 0.003 0.000 0.986 259 Q CA 1.348 57.152 55.803 0.001 0.000 0.886 259 Q CB 0.381 29.115 28.738 -0.007 0.000 0.927 259 Q HN 0.589 nan 8.270 nan 0.000 0.457 260 D N -2.783 117.620 120.400 0.005 0.000 2.772 260 D HA 0.165 4.810 4.640 0.009 0.000 0.272 260 D C 0.894 177.199 176.300 0.009 0.000 1.314 260 D CA 0.435 54.438 54.000 0.005 0.000 0.835 260 D CB 0.685 41.487 40.800 0.003 0.000 1.080 260 D HN 0.265 nan 8.370 nan 0.000 0.482 261 G N 1.631 110.438 108.800 0.011 0.000 2.435 261 G HA2 -0.401 3.564 3.960 0.009 0.000 0.245 261 G HA3 -0.401 3.564 3.960 0.009 0.000 0.245 261 G C 0.693 175.602 174.900 0.015 0.000 1.073 261 G CA 0.709 45.817 45.100 0.014 0.000 0.638 261 G HN 0.789 nan 8.290 nan 0.000 0.521 262 S N -0.447 115.261 115.700 0.013 0.000 2.606 262 S HA 0.595 5.071 4.470 0.009 0.000 0.257 262 S C 0.109 174.716 174.600 0.012 0.000 1.327 262 S CA 0.230 58.436 58.200 0.011 0.000 0.984 262 S CB 1.941 65.147 63.200 0.009 0.000 0.941 262 S HN 1.225 nan 8.310 nan 0.000 0.576 263 V N 1.337 121.249 119.914 -0.002 0.000 2.540 263 V HA 0.528 4.653 4.120 0.009 0.000 0.302 263 V C 0.104 176.183 176.094 -0.025 0.000 1.035 263 V CA -0.838 61.456 62.300 -0.010 0.000 0.873 263 V CB 1.566 33.365 31.823 -0.041 0.000 0.992 263 V HN 0.944 nan 8.190 nan 0.000 0.428 264 R N 2.742 123.254 120.500 0.020 0.000 2.265 264 R HA 0.660 5.005 4.340 0.009 0.000 0.319 264 R C 0.575 176.842 176.300 -0.055 0.000 1.006 264 R CA 0.956 57.071 56.100 0.025 0.000 0.880 264 R CB 0.986 31.367 30.300 0.135 0.000 1.077 264 R HN 1.191 nan 8.270 nan 0.000 0.454 265 G N 2.937 111.633 108.800 -0.172 0.000 2.466 265 G HA2 -0.249 3.716 3.960 0.009 0.000 0.218 265 G HA3 -0.249 3.716 3.960 0.009 0.000 0.218 265 G C -1.284 173.287 174.900 -0.548 0.000 1.237 265 G CA -0.154 44.775 45.100 -0.285 0.000 0.954 265 G HN 0.638 nan 8.290 nan 0.000 0.580 266 D N 1.595 121.760 120.400 -0.392 0.000 2.339 266 D HA 0.536 5.181 4.640 0.009 0.000 0.241 266 D C -0.965 175.208 176.300 -0.211 0.000 1.183 266 D CA -1.919 51.836 54.000 -0.408 0.000 0.859 266 D CB 1.411 42.273 40.800 0.102 0.000 1.067 266 D HN 0.000 nan 8.370 nan 0.000 0.484 267 P HA -0.049 nan 4.420 nan 0.000 0.222 267 P C 0.848 178.142 177.300 -0.010 0.000 1.147 267 P CA 0.681 63.726 63.100 -0.091 0.000 0.790 267 P CB 0.234 31.891 31.700 -0.073 0.000 0.780 268 A N -0.537 122.294 122.820 0.018 0.000 2.172 268 A HA -0.105 4.221 4.320 0.009 0.000 0.216 268 A C 1.562 179.191 177.584 0.075 0.000 1.154 268 A CA 1.271 53.356 52.037 0.079 0.000 0.701 268 A CB -0.816 18.256 19.000 0.120 0.000 0.789 268 A HN 0.141 nan 8.150 nan 0.000 0.465 269 N N -0.819 117.905 118.700 0.040 0.000 2.235 269 N HA 0.142 4.888 4.740 0.009 0.000 0.231 269 N C 1.075 176.586 175.510 0.001 0.000 1.177 269 N CA 0.127 53.196 53.050 0.031 0.000 0.874 269 N CB 0.698 39.203 38.487 0.029 0.000 1.097 269 N HN 0.150 nan 8.380 nan 0.000 0.518 270 V N 1.128 121.046 119.914 0.006 0.000 2.252 270 V HA -0.256 3.869 4.120 0.009 0.000 0.249 270 V C 2.413 178.518 176.094 0.020 0.000 1.056 270 V CA 1.884 64.190 62.300 0.010 0.000 1.022 270 V CB -0.218 31.618 31.823 0.022 0.000 0.641 270 V HN 0.394 nan 8.190 nan 0.000 0.445 271 E N -0.601 119.615 120.200 0.027 0.000 2.031 271 E HA -0.245 4.110 4.350 0.009 0.000 0.193 271 E C 2.174 178.726 176.600 -0.079 0.000 0.994 271 E CA 1.643 58.042 56.400 -0.001 0.000 0.800 271 E CB -0.154 29.583 29.700 0.061 0.000 0.752 271 E HN 0.473 nan 8.360 nan 0.000 0.447 272 I N 0.946 121.482 120.570 -0.057 0.000 2.286 272 I HA -0.222 3.953 4.170 0.009 0.000 0.248 272 I C 2.079 178.164 176.117 -0.053 0.000 1.115 272 I CA 1.557 62.801 61.300 -0.094 0.000 1.392 272 I CB -0.494 37.498 38.000 -0.014 0.000 1.065 272 I HN 0.080 nan 8.210 nan 0.000 0.418 273 T N 0.251 114.799 114.554 -0.011 0.000 2.684 273 T HA -0.205 4.150 4.350 0.009 0.000 0.267 273 T C 1.768 176.548 174.700 0.134 0.000 1.036 273 T CA 1.897 64.034 62.100 0.061 0.000 1.148 273 T CB -0.308 68.592 68.868 0.053 0.000 0.863 273 T HN 0.462 nan 8.240 nan 0.000 0.436 274 E N 0.498 120.745 120.200 0.079 0.000 2.204 274 E HA 0.005 4.360 4.350 0.009 0.000 0.194 274 E C 2.143 178.777 176.600 0.056 0.000 0.989 274 E CA 0.571 57.018 56.400 0.078 0.000 0.824 274 E CB -0.210 29.514 29.700 0.041 0.000 0.756 274 E HN 0.423 nan 8.360 nan 0.000 0.477 275 L N 0.021 121.245 121.223 0.002 0.000 2.109 275 L HA -0.174 4.172 4.340 0.009 0.000 0.207 275 L C 2.432 179.410 176.870 0.181 0.000 1.086 275 L CA 0.518 55.387 54.840 0.049 0.000 0.760 275 L CB -0.245 41.744 42.059 -0.118 0.000 0.910 275 L HN 0.301 nan 8.230 nan 0.000 0.437 276 C N 0.025 119.385 119.300 0.100 0.000 2.429 276 C HA -0.133 4.332 4.460 0.009 0.000 0.277 276 C C 2.709 177.865 174.990 0.277 0.000 1.262 276 C CA 0.490 59.577 59.018 0.116 0.000 1.733 276 C CB -0.581 27.144 27.740 -0.026 0.000 2.010 276 C HN 0.424 nan 8.230 nan 0.000 0.483 277 I N 0.416 121.169 120.570 0.305 0.000 2.226 277 I HA -0.266 3.909 4.170 0.009 0.000 0.245 277 I C 2.650 178.833 176.117 0.110 0.000 1.100 277 I CA 1.532 62.972 61.300 0.234 0.000 1.374 277 I CB -0.680 37.425 38.000 0.175 0.000 1.057 277 I HN 0.442 nan 8.210 nan 0.000 0.413 278 Q N -0.088 119.754 119.800 0.070 0.000 2.234 278 Q HA -0.216 4.129 4.340 0.009 0.000 0.206 278 Q C 1.078 176.963 176.000 -0.193 0.000 0.980 278 Q CA 1.352 57.115 55.803 -0.067 0.000 0.869 278 Q CB -0.097 28.574 28.738 -0.111 0.000 0.912 278 Q HN 0.638 nan 8.270 nan 0.000 0.436 279 H N -1.821 117.238 119.070 -0.018 0.000 2.537 279 H HA 0.267 4.829 4.556 0.009 0.000 0.295 279 H C 0.647 175.951 175.328 -0.040 0.000 1.054 279 H CA 0.500 56.512 56.048 -0.061 0.000 1.156 279 H CB 0.727 30.407 29.762 -0.136 0.000 1.468 279 H HN 0.357 nan 8.280 nan 0.000 0.551 280 G N -0.252 108.592 108.800 0.072 0.000 2.144 280 G HA2 -0.257 3.708 3.960 0.009 0.000 0.218 280 G HA3 -0.257 3.708 3.960 0.009 0.000 0.218 280 G C -0.196 174.775 174.900 0.119 0.000 0.988 280 G CA -0.272 44.858 45.100 0.049 0.000 0.659 280 G HN 0.376 nan 8.290 nan 0.000 0.522 281 W N 2.606 123.885 121.300 -0.034 0.000 2.266 281 W HA 0.627 5.293 4.660 0.009 0.000 0.317 281 W C 0.416 176.926 176.519 -0.014 0.000 1.310 281 W CA 0.118 57.447 57.345 -0.027 0.000 1.207 281 W CB 0.666 30.121 29.460 -0.009 0.000 1.199 281 W HN 0.065 nan 8.180 nan 0.000 0.544 282 T N 9.830 124.100 114.554 -0.473 0.000 2.737 282 T HA 0.196 4.551 4.350 0.009 0.000 0.296 282 T C -2.126 171.788 174.700 -1.310 0.000 0.922 282 T CA -0.809 60.920 62.100 -0.617 0.000 1.079 282 T CB 0.501 69.153 68.868 -0.359 0.000 0.892 282 T HN 0.221 nan 8.240 nan 0.000 0.514 283 P HA 0.360 nan 4.420 nan 0.000 0.281 283 P C 0.437 177.308 177.300 -0.714 0.000 1.249 283 P CA -0.411 61.897 63.100 -1.321 0.000 0.810 283 P CB 0.941 32.277 31.700 -0.607 0.000 1.008 284 G N 1.209 109.763 108.800 -0.410 0.000 2.508 284 G HA2 0.091 4.057 3.960 0.009 0.000 0.278 284 G HA3 0.091 4.057 3.960 0.009 0.000 0.278 284 G C 0.202 174.858 174.900 -0.407 0.000 1.389 284 G CA -0.225 44.766 45.100 -0.182 0.000 1.050 284 G HN 0.567 nan 8.290 nan 0.000 0.522 285 N N -1.037 117.539 118.700 -0.206 0.000 2.377 285 N HA 0.251 4.996 4.740 0.009 0.000 0.259 285 N C 0.269 175.785 175.510 0.010 0.000 1.332 285 N CA 0.060 52.957 53.050 -0.255 0.000 0.877 285 N CB 0.588 38.961 38.487 -0.190 0.000 1.299 285 N HN 0.633 nan 8.380 nan 0.000 0.501 286 G N -0.641 108.287 108.800 0.214 0.000 2.597 286 G HA2 0.340 4.305 3.960 0.009 0.000 0.317 286 G HA3 0.340 4.305 3.960 0.009 0.000 0.317 286 G C 0.557 175.537 174.900 0.133 0.000 1.230 286 G CA -0.474 44.731 45.100 0.175 0.000 0.996 286 G HN 0.179 nan 8.290 nan 0.000 0.490 287 R N -1.052 119.411 120.500 -0.061 0.000 2.236 287 R HA 0.097 4.442 4.340 0.009 0.000 0.208 287 R C -0.131 175.659 176.300 -0.850 0.000 1.036 287 R CA 0.835 56.674 56.100 -0.434 0.000 1.001 287 R CB 0.028 29.938 30.300 -0.650 0.000 0.896 287 R HN 0.399 nan 8.270 nan 0.000 0.464 288 F N 0.383 120.261 119.950 -0.121 0.000 2.619 288 F HA 0.238 4.770 4.527 0.009 0.000 0.382 288 F C -0.757 174.988 175.800 -0.093 0.000 1.466 288 F CA -1.186 56.479 58.000 -0.557 0.000 1.137 288 F CB 0.567 39.116 39.000 -0.752 0.000 1.205 288 F HN -0.292 nan 8.300 nan 0.000 0.525 289 D N 1.660 122.214 120.400 0.257 0.000 2.325 289 D HA 0.184 4.829 4.640 0.009 0.000 0.251 289 D C 0.302 176.859 176.300 0.428 0.000 1.196 289 D CA 0.193 54.417 54.000 0.374 0.000 0.866 289 D CB 2.139 43.213 40.800 0.457 0.000 1.101 289 D HN -0.081 nan 8.370 nan 0.000 0.476 290 V N 3.782 123.909 119.914 0.356 0.000 2.599 290 V HA -0.030 4.095 4.120 0.009 0.000 0.300 290 V C 1.029 177.126 176.094 0.004 0.000 1.034 290 V CA -0.141 62.242 62.300 0.138 0.000 1.115 290 V CB 0.341 32.200 31.823 0.061 0.000 0.934 290 V HN 0.349 nan 8.190 nan 0.000 0.485 291 L N 7.954 129.078 121.223 -0.165 0.000 2.436 291 L HA 0.363 4.708 4.340 0.009 0.000 0.265 291 L C -1.681 174.926 176.870 -0.438 0.000 1.168 291 L CA -1.450 53.152 54.840 -0.398 0.000 0.815 291 L CB 1.153 43.016 42.059 -0.328 0.000 1.109 291 L HN 0.498 nan 8.230 nan 0.000 0.462 292 P HA 0.193 nan 4.420 nan 0.000 0.276 292 P C -1.110 176.006 177.300 -0.306 0.000 1.261 292 P CA -0.619 62.190 63.100 -0.486 0.000 0.800 292 P CB 0.986 32.257 31.700 -0.715 0.000 1.066 293 L N 1.050 122.176 121.223 -0.162 0.000 2.309 293 L HA 0.313 4.659 4.340 0.009 0.000 0.282 293 L C -0.048 176.768 176.870 -0.090 0.000 1.036 293 L CA -0.518 54.279 54.840 -0.073 0.000 0.806 293 L CB 0.393 42.479 42.059 0.045 0.000 1.220 293 L HN 0.220 nan 8.230 nan 0.000 0.429 294 L N 5.260 126.413 121.223 -0.117 0.000 2.276 294 L HA 0.498 4.844 4.340 0.009 0.000 0.286 294 L C -0.506 176.229 176.870 -0.224 0.000 1.024 294 L CA -0.042 54.639 54.840 -0.265 0.000 0.826 294 L CB 0.788 42.610 42.059 -0.395 0.000 1.211 294 L HN 0.379 nan 8.230 nan 0.000 0.422 295 L N 3.751 124.876 121.223 -0.162 0.000 2.341 295 L HA 0.572 4.917 4.340 0.009 0.000 0.278 295 L C -0.216 176.564 176.870 -0.151 0.000 1.005 295 L CA -0.545 54.243 54.840 -0.086 0.000 0.818 295 L CB 2.084 44.145 42.059 0.004 0.000 1.259 295 L HN 0.524 nan 8.230 nan 0.000 0.418 296 Q N 2.325 122.059 119.800 -0.108 0.000 2.327 296 Q HA 0.659 5.004 4.340 0.009 0.000 0.270 296 Q C -0.950 174.979 176.000 -0.118 0.000 1.022 296 Q CA -0.524 55.216 55.803 -0.106 0.000 0.773 296 Q CB 2.220 30.978 28.738 0.033 0.000 1.251 296 Q HN 0.801 nan 8.270 nan 0.000 0.457 297 A N 4.874 127.585 122.820 -0.181 0.000 2.287 297 A HA 0.613 4.938 4.320 0.009 0.000 0.273 297 A C -2.364 174.969 177.584 -0.419 0.000 1.091 297 A CA -1.454 50.332 52.037 -0.419 0.000 0.817 297 A CB -0.005 18.841 19.000 -0.257 0.000 1.069 297 A HN 0.590 nan 8.150 nan 0.000 0.492 298 P HA 0.045 nan 4.420 nan 0.000 0.260 298 P C -0.537 176.658 177.300 -0.174 0.000 1.172 298 P CA 0.971 63.856 63.100 -0.358 0.000 0.760 298 P CB 0.149 31.635 31.700 -0.357 0.000 0.773 299 D N 0.062 120.408 120.400 -0.090 0.000 3.079 299 D HA -0.183 4.463 4.640 0.009 0.000 0.214 299 D C -0.076 176.207 176.300 -0.030 0.000 1.145 299 D CA 1.333 55.310 54.000 -0.038 0.000 0.958 299 D CB -1.008 39.771 40.800 -0.034 0.000 1.117 299 D HN 0.544 nan 8.370 nan 0.000 0.416 300 E N -0.631 119.540 120.200 -0.047 0.000 2.263 300 E HA 0.683 5.038 4.350 0.009 0.000 0.264 300 E C -0.077 176.507 176.600 -0.027 0.000 0.923 300 E CA -0.709 55.667 56.400 -0.039 0.000 0.802 300 E CB 1.574 31.238 29.700 -0.060 0.000 1.228 300 E HN 0.157 nan 8.360 nan 0.000 0.417 301 A N 2.840 125.644 122.820 -0.027 0.000 2.445 301 A HA 0.307 4.632 4.320 0.009 0.000 0.242 301 A C -2.114 175.366 177.584 -0.174 0.000 1.075 301 A CA -1.017 50.992 52.037 -0.046 0.000 0.777 301 A CB -0.335 18.661 19.000 -0.007 0.000 1.013 301 A HN 0.350 nan 8.150 nan 0.000 0.493 302 P HA 0.178 nan 4.420 nan 0.000 0.269 302 P C -0.635 176.403 177.300 -0.437 0.000 1.209 302 P CA 0.184 62.921 63.100 -0.604 0.000 0.776 302 P CB 0.673 31.519 31.700 -1.423 0.000 0.876 303 E N 0.769 120.783 120.200 -0.309 0.000 2.207 303 E HA 0.430 4.786 4.350 0.009 0.000 0.270 303 E C -0.729 175.614 176.600 -0.428 0.000 0.927 303 E CA -1.081 55.120 56.400 -0.332 0.000 0.799 303 E CB 1.437 30.974 29.700 -0.271 0.000 1.172 303 E HN 0.286 nan 8.360 nan 0.000 0.404 304 L N 2.972 123.850 121.223 -0.574 0.000 2.292 304 L HA 0.439 4.784 4.340 0.009 0.000 0.284 304 L C -1.587 174.779 176.870 -0.839 0.000 1.065 304 L CA 0.177 54.717 54.840 -0.499 0.000 0.806 304 L CB 0.158 42.030 42.059 -0.311 0.000 1.175 304 L HN 0.407 nan 8.230 nan 0.000 0.431 305 F N 4.127 123.848 119.950 -0.381 0.000 2.557 305 F HA 0.449 4.982 4.527 0.010 0.000 0.316 305 F C -0.350 175.200 175.800 -0.417 0.000 1.141 305 F CA -0.895 56.748 58.000 -0.596 0.000 0.922 305 F CB 1.837 40.147 39.000 -1.150 0.000 1.194 305 F HN 0.035 nan 8.300 nan 0.000 0.443 306 V N 4.727 124.552 119.914 -0.149 0.000 2.461 306 V HA 0.237 4.362 4.120 0.009 0.000 0.275 306 V C 0.240 176.422 176.094 0.146 0.000 1.047 306 V CA -0.680 61.612 62.300 -0.012 0.000 0.955 306 V CB 1.109 32.966 31.823 0.057 0.000 0.988 306 V HN 0.527 nan 8.190 nan 0.000 0.471 307 L N 7.457 128.785 121.223 0.176 0.000 2.410 307 L HA 0.277 4.622 4.340 0.009 0.000 0.273 307 L C -2.089 174.885 176.870 0.172 0.000 1.152 307 L CA -1.404 53.581 54.840 0.241 0.000 0.855 307 L CB 0.331 42.465 42.059 0.124 0.000 1.129 307 L HN 0.448 nan 8.230 nan 0.000 0.463 308 P HA 0.095 nan 4.420 nan 0.000 0.267 308 P C -2.081 175.269 177.300 0.083 0.000 1.209 308 P CA -1.049 62.123 63.100 0.120 0.000 0.763 308 P CB 0.380 32.141 31.700 0.101 0.000 0.816 309 P HA -0.186 nan 4.420 nan 0.000 0.221 309 P C 1.238 178.569 177.300 0.052 0.000 1.145 309 P CA 1.136 64.278 63.100 0.069 0.000 0.795 309 P CB -0.136 31.610 31.700 0.076 0.000 0.775 310 E N -0.503 119.724 120.200 0.044 0.000 2.347 310 E HA -0.115 4.240 4.350 0.009 0.000 0.196 310 E C 1.489 178.104 176.600 0.024 0.000 1.008 310 E CA 0.856 57.274 56.400 0.031 0.000 0.852 310 E CB -0.897 28.818 29.700 0.025 0.000 0.783 310 E HN 0.233 nan 8.360 nan 0.000 0.505 311 L N 1.009 122.247 121.223 0.026 0.000 2.341 311 L HA 0.039 4.385 4.340 0.009 0.000 0.214 311 L C 0.757 177.641 176.870 0.023 0.000 1.115 311 L CA 0.610 55.460 54.840 0.017 0.000 0.820 311 L CB 0.503 42.566 42.059 0.006 0.000 0.944 311 L HN -0.097 nan 8.230 nan 0.000 0.452 312 V N 1.428 121.360 119.914 0.029 0.000 2.270 312 V HA 0.186 4.311 4.120 0.009 0.000 0.263 312 V C -0.078 176.044 176.094 0.046 0.000 1.066 312 V CA -0.825 61.492 62.300 0.027 0.000 0.857 312 V CB 0.907 32.737 31.823 0.012 0.000 1.099 312 V HN -0.016 nan 8.190 nan 0.000 0.476 313 L N 5.573 126.828 121.223 0.054 0.000 2.410 313 L HA 0.353 4.698 4.340 0.009 0.000 0.273 313 L C 0.274 177.184 176.870 0.067 0.000 1.144 313 L CA 0.901 55.768 54.840 0.044 0.000 0.863 313 L CB 0.217 42.297 42.059 0.034 0.000 1.140 313 L HN 0.644 nan 8.230 nan 0.000 0.463 314 E N 3.346 123.566 120.200 0.034 0.000 2.299 314 E HA 0.577 4.932 4.350 0.009 0.000 0.265 314 E C -1.406 175.150 176.600 -0.074 0.000 0.911 314 E CA -1.044 55.378 56.400 0.036 0.000 0.789 314 E CB 2.381 32.133 29.700 0.088 0.000 1.246 314 E HN 0.340 nan 8.360 nan 0.000 0.427 315 V N 2.747 122.585 119.914 -0.127 0.000 2.350 315 V HA 0.290 4.416 4.120 0.009 0.000 0.285 315 V C -2.409 173.630 176.094 -0.092 0.000 1.014 315 V CA -2.105 60.055 62.300 -0.232 0.000 0.831 315 V CB 1.056 32.488 31.823 -0.652 0.000 1.000 315 V HN 0.526 nan 8.190 nan 0.000 0.433 316 P HA 0.219 nan 4.420 nan 0.000 0.271 316 P C -0.529 176.782 177.300 0.018 0.000 1.216 316 P CA -0.024 63.054 63.100 -0.037 0.000 0.771 316 P CB 0.536 32.222 31.700 -0.024 0.000 0.864 317 L N 3.878 125.146 121.223 0.075 0.000 2.276 317 L HA 0.404 4.749 4.340 0.009 0.000 0.286 317 L C 1.045 178.083 176.870 0.280 0.000 1.061 317 L CA -0.103 54.852 54.840 0.193 0.000 0.807 317 L CB 0.424 42.667 42.059 0.307 0.000 1.177 317 L HN 0.507 nan 8.230 nan 0.000 0.429 318 E N 2.043 122.362 120.200 0.197 0.000 2.416 318 E HA 0.432 4.787 4.350 0.009 0.000 0.273 318 E C -1.290 175.297 176.600 -0.020 0.000 0.935 318 E CA -0.948 55.567 56.400 0.192 0.000 0.784 318 E CB 2.330 32.120 29.700 0.150 0.000 1.301 318 E HN 0.462 nan 8.360 nan 0.000 0.454 319 H N 1.179 120.083 119.070 -0.276 0.000 2.499 319 H HA 0.240 4.802 4.556 0.009 0.000 0.340 319 H C -1.775 173.263 175.328 -0.483 0.000 1.148 319 H CA -2.340 53.402 56.048 -0.510 0.000 1.215 319 H CB 2.025 31.375 29.762 -0.687 0.000 1.529 319 H HN 0.422 nan 8.280 nan 0.000 0.510 320 P HA -0.110 nan 4.420 nan 0.000 0.218 320 P C 0.881 177.973 177.300 -0.346 0.000 1.149 320 P CA 1.695 64.249 63.100 -0.910 0.000 0.817 320 P CB 0.456 31.611 31.700 -0.908 0.000 0.785 321 T N -4.659 109.853 114.554 -0.069 0.000 2.980 321 T HA 0.216 4.571 4.350 0.009 0.000 0.252 321 T C 0.786 175.467 174.700 -0.031 0.000 0.962 321 T CA -0.246 61.854 62.100 0.001 0.000 0.932 321 T CB -0.522 68.358 68.868 0.020 0.000 1.188 321 T HN -0.078 nan 8.240 nan 0.000 0.500 322 L N 2.656 123.831 121.223 -0.081 0.000 2.342 322 L HA 0.395 4.741 4.340 0.009 0.000 0.285 322 L C 1.235 177.731 176.870 -0.624 0.000 1.095 322 L CA -0.261 54.219 54.840 -0.600 0.000 0.843 322 L CB 0.784 42.126 42.059 -1.195 0.000 1.201 322 L HN 0.224 nan 8.230 nan 0.000 0.445 323 E N 3.761 123.714 120.200 -0.411 0.000 2.216 323 E HA -0.136 4.220 4.350 0.009 0.000 0.192 323 E C 1.474 178.020 176.600 -0.091 0.000 0.988 323 E CA 0.923 57.225 56.400 -0.163 0.000 0.834 323 E CB 0.098 29.787 29.700 -0.019 0.000 0.772 323 E HN 0.801 nan 8.360 nan 0.000 0.479 324 W N -0.107 121.248 121.300 0.092 0.000 2.595 324 W HA -0.031 4.635 4.660 0.009 0.000 0.257 324 W C 1.412 177.994 176.519 0.106 0.000 1.267 324 W CA -0.179 57.211 57.345 0.075 0.000 1.300 324 W CB -0.813 28.669 29.460 0.036 0.000 1.120 324 W HN -0.044 nan 8.180 nan 0.000 0.618 325 F N 2.944 122.717 119.950 -0.295 0.000 2.216 325 F HA -0.045 4.488 4.527 0.009 0.000 0.300 325 F C 2.609 178.437 175.800 0.047 0.000 1.085 325 F CA 2.372 60.295 58.000 -0.129 0.000 1.326 325 F CB -0.584 38.173 39.000 -0.404 0.000 1.027 325 F HN -0.091 nan 8.300 nan 0.000 0.497 326 A N 0.167 123.138 122.820 0.250 0.000 1.933 326 A HA -0.088 4.237 4.320 0.009 0.000 0.218 326 A C 2.368 180.022 177.584 0.117 0.000 1.175 326 A CA 1.581 53.726 52.037 0.180 0.000 0.628 326 A CB -1.456 17.619 19.000 0.126 0.000 0.814 326 A HN 0.427 nan 8.150 nan 0.000 0.444 327 A N -0.794 122.104 122.820 0.130 0.000 2.070 327 A HA 0.046 4.372 4.320 0.009 0.000 0.220 327 A C 1.759 179.387 177.584 0.072 0.000 1.159 327 A CA 1.309 53.410 52.037 0.107 0.000 0.656 327 A CB -0.406 18.677 19.000 0.138 0.000 0.800 327 A HN 0.370 nan 8.150 nan 0.000 0.453 328 L N -0.726 120.519 121.223 0.035 0.000 2.353 328 L HA -0.005 4.340 4.340 0.009 0.000 0.220 328 L C 2.011 178.890 176.870 0.014 0.000 1.133 328 L CA 1.294 56.120 54.840 -0.024 0.000 0.798 328 L CB -1.683 40.255 42.059 -0.201 0.000 0.922 328 L HN 0.670 nan 8.230 nan 0.000 0.445 329 G N -0.531 108.283 108.800 0.023 0.000 2.203 329 G HA2 -0.311 3.654 3.960 0.009 0.000 0.263 329 G HA3 -0.311 3.654 3.960 0.009 0.000 0.263 329 G C 0.489 175.368 174.900 -0.035 0.000 1.012 329 G CA 0.467 45.584 45.100 0.028 0.000 0.749 329 G HN 0.367 nan 8.290 nan 0.000 0.512 330 L N -0.276 120.903 121.223 -0.074 0.000 2.467 330 L HA 0.627 4.972 4.340 0.009 0.000 0.270 330 L C 1.223 177.868 176.870 -0.375 0.000 1.205 330 L CA -0.060 54.639 54.840 -0.237 0.000 0.828 330 L CB 0.477 42.509 42.059 -0.046 0.000 1.101 330 L HN 0.583 nan 8.230 nan 0.000 0.479 331 R N 1.276 121.356 120.500 -0.699 0.000 2.733 331 R HA 0.506 4.851 4.340 0.009 0.000 0.272 331 R C -2.053 174.191 176.300 -0.094 0.000 1.029 331 R CA -1.016 54.866 56.100 -0.363 0.000 0.888 331 R CB 1.762 31.821 30.300 -0.403 0.000 1.251 331 R HN 0.651 nan 8.270 nan 0.000 0.464 332 W N 1.325 122.586 121.300 -0.066 0.000 3.137 332 W HA 0.373 5.038 4.660 0.008 0.000 0.324 332 W C -1.200 175.420 176.519 0.167 0.000 1.253 332 W CA -0.988 56.402 57.345 0.076 0.000 1.183 332 W CB 1.988 31.408 29.460 -0.066 0.000 1.424 332 W HN 0.676 nan 8.180 nan 0.000 0.566 333 Y N 0.905 121.146 120.300 -0.098 0.000 2.301 333 Y HA 0.546 5.101 4.550 0.008 0.000 0.328 333 Y C 0.841 177.003 175.900 0.436 0.000 1.242 333 Y CA 0.066 58.202 58.100 0.059 0.000 1.323 333 Y CB 0.254 38.614 38.460 -0.167 0.000 1.266 333 Y HN 0.349 nan 8.280 nan 0.000 0.527 334 A N 2.139 125.245 122.820 0.476 0.000 1.970 334 A HA 0.049 4.374 4.320 0.009 0.000 0.216 334 A C 0.482 178.427 177.584 0.602 0.000 1.170 334 A CA 0.538 52.884 52.037 0.515 0.000 0.645 334 A CB -0.273 18.871 19.000 0.240 0.000 0.816 334 A HN 0.674 nan 8.150 nan 0.000 0.447 335 L N 1.752 123.279 121.223 0.507 0.000 2.276 335 L HA 0.449 4.795 4.340 0.009 0.000 0.286 335 L C -2.668 174.362 176.870 0.266 0.000 1.024 335 L CA -2.323 52.704 54.840 0.312 0.000 0.826 335 L CB 1.715 43.897 42.059 0.206 0.000 1.211 335 L HN -0.051 nan 8.230 nan 0.000 0.422 336 P HA 0.371 nan 4.420 nan 0.000 0.291 336 P C -1.422 175.801 177.300 -0.128 0.000 1.340 336 P CA -0.320 62.651 63.100 -0.216 0.000 0.799 336 P CB 1.401 32.542 31.700 -0.931 0.000 0.917 337 A N 4.333 127.096 122.820 -0.095 0.000 2.605 337 A HA 0.409 4.735 4.320 0.009 0.000 0.293 337 A C -0.363 177.009 177.584 -0.353 0.000 1.216 337 A CA -0.631 51.278 52.037 -0.214 0.000 0.742 337 A CB 0.772 19.680 19.000 -0.154 0.000 1.170 337 A HN 0.282 nan 8.150 nan 0.000 0.443 338 V N 2.814 122.329 119.914 -0.664 0.000 2.521 338 V HA 0.244 4.370 4.120 0.009 0.000 0.286 338 V C 1.279 176.980 176.094 -0.656 0.000 1.034 338 V CA 1.181 63.050 62.300 -0.719 0.000 1.045 338 V CB 1.054 32.234 31.823 -1.070 0.000 0.974 338 V HN 1.092 nan 8.190 nan 0.000 0.480 339 S N 1.851 117.367 115.700 -0.307 0.000 2.666 339 S HA 0.056 4.531 4.470 0.009 0.000 0.239 339 S C 0.774 175.354 174.600 -0.034 0.000 1.031 339 S CA 0.110 58.210 58.200 -0.166 0.000 1.015 339 S CB -0.333 62.805 63.200 -0.104 0.000 0.981 339 S HN 0.921 nan 8.310 nan 0.000 0.547 340 N N 0.278 118.967 118.700 -0.019 0.000 2.200 340 N HA 0.306 5.052 4.740 0.009 0.000 0.224 340 N C 0.021 175.583 175.510 0.088 0.000 1.179 340 N CA -0.517 52.566 53.050 0.055 0.000 0.877 340 N CB 0.174 38.699 38.487 0.062 0.000 1.072 340 N HN 0.226 nan 8.380 nan 0.000 0.519 341 M N 1.447 121.106 119.600 0.097 0.000 2.274 341 M HA 0.251 4.736 4.480 0.009 0.000 0.344 341 M C -0.346 176.095 176.300 0.235 0.000 1.161 341 M CA -0.632 54.774 55.300 0.176 0.000 1.126 341 M CB 2.198 34.927 32.600 0.215 0.000 1.522 341 M HN 0.181 nan 8.290 nan 0.000 0.461 342 L N 3.454 124.803 121.223 0.210 0.000 2.305 342 L HA 0.374 4.719 4.340 0.009 0.000 0.281 342 L C -1.045 175.969 176.870 0.240 0.000 1.085 342 L CA -0.709 54.248 54.840 0.194 0.000 0.813 342 L CB 0.837 42.962 42.059 0.110 0.000 1.157 342 L HN 0.543 nan 8.230 nan 0.000 0.436 343 L N 5.636 127.007 121.223 0.246 0.000 2.265 343 L HA 0.421 4.767 4.340 0.009 0.000 0.289 343 L C -0.428 176.502 176.870 0.101 0.000 1.033 343 L CA 0.234 55.131 54.840 0.095 0.000 0.814 343 L CB 1.051 43.167 42.059 0.094 0.000 1.203 343 L HN 0.592 nan 8.230 nan 0.000 0.423 344 E N 6.463 126.634 120.200 -0.049 0.000 2.166 344 E HA 0.439 4.795 4.350 0.009 0.000 0.275 344 E C -1.546 174.988 176.600 -0.110 0.000 0.941 344 E CA -0.458 55.921 56.400 -0.035 0.000 0.784 344 E CB 1.232 30.902 29.700 -0.051 0.000 1.115 344 E HN 0.723 nan 8.360 nan 0.000 0.399 345 I N 2.515 123.027 120.570 -0.097 0.000 2.534 345 I HA 0.239 4.414 4.170 0.009 0.000 0.286 345 I C 0.621 176.555 176.117 -0.305 0.000 1.094 345 I CA -0.680 60.437 61.300 -0.304 0.000 1.055 345 I CB 1.997 39.736 38.000 -0.435 0.000 1.225 345 I HN 0.783 nan 8.210 nan 0.000 0.435 346 G N 4.153 112.824 108.800 -0.216 0.000 2.341 346 G HA2 -0.103 3.862 3.960 0.009 0.000 0.292 346 G HA3 -0.103 3.862 3.960 0.009 0.000 0.292 346 G C 1.060 176.051 174.900 0.152 0.000 1.021 346 G CA 0.815 45.967 45.100 0.086 0.000 0.905 346 G HN 1.602 nan 8.290 nan 0.000 0.508 347 G N -1.843 106.990 108.800 0.055 0.000 2.267 347 G HA2 -0.272 3.693 3.960 0.009 0.000 0.257 347 G HA3 -0.272 3.693 3.960 0.009 0.000 0.257 347 G C 0.627 175.508 174.900 -0.031 0.000 0.998 347 G CA 0.568 45.695 45.100 0.046 0.000 0.620 347 G HN 1.346 nan 8.290 nan 0.000 0.529 348 L N 0.823 121.983 121.223 -0.105 0.000 2.439 348 L HA 0.513 4.858 4.340 0.009 0.000 0.269 348 L C 0.439 177.139 176.870 -0.284 0.000 1.179 348 L CA -0.003 54.663 54.840 -0.290 0.000 0.828 348 L CB 0.764 42.555 42.059 -0.447 0.000 1.106 348 L HN 0.218 nan 8.230 nan 0.000 0.467 349 E N 2.519 122.467 120.200 -0.420 0.000 2.191 349 E HA 0.356 4.711 4.350 0.009 0.000 0.263 349 E C -1.474 174.865 176.600 -0.435 0.000 0.881 349 E CA -0.408 55.829 56.400 -0.271 0.000 0.757 349 E CB 1.530 31.146 29.700 -0.141 0.000 1.147 349 E HN 0.256 nan 8.360 nan 0.000 0.414 350 F N 2.080 122.014 119.950 -0.026 0.000 2.293 350 F HA 0.106 4.639 4.527 0.010 0.000 0.370 350 F C 1.511 177.358 175.800 0.079 0.000 1.090 350 F CA -0.469 57.543 58.000 0.020 0.000 1.133 350 F CB 1.112 40.109 39.000 -0.005 0.000 1.360 350 F HN 0.425 nan 8.300 nan 0.000 0.489 351 S N 1.414 117.223 115.700 0.181 0.000 2.489 351 S HA 0.246 4.721 4.470 0.009 0.000 0.228 351 S C 0.839 175.572 174.600 0.222 0.000 0.995 351 S CA 0.308 58.610 58.200 0.171 0.000 0.934 351 S CB 0.094 63.370 63.200 0.127 0.000 0.771 351 S HN 0.475 nan 8.310 nan 0.000 0.522 352 A N 0.650 123.645 122.820 0.291 0.000 2.409 352 A HA 0.836 5.161 4.320 0.009 0.000 0.300 352 A C -0.150 177.691 177.584 0.428 0.000 1.273 352 A CA -0.220 52.011 52.037 0.323 0.000 0.774 352 A CB 0.778 19.938 19.000 0.268 0.000 1.144 352 A HN 0.962 nan 8.150 nan 0.000 0.472 353 A N 4.236 127.255 122.820 0.331 0.000 3.307 353 A HA 0.636 4.961 4.320 0.009 0.000 0.289 353 A C -3.071 174.655 177.584 0.237 0.000 1.138 353 A CA -0.947 51.250 52.037 0.266 0.000 0.860 353 A CB 0.492 19.645 19.000 0.254 0.000 1.318 353 A HN 0.499 nan 8.150 nan 0.000 0.551 354 P HA 0.506 nan 4.420 nan 0.000 0.275 354 P C -0.802 176.483 177.300 -0.025 0.000 1.227 354 P CA 0.222 63.279 63.100 -0.072 0.000 0.781 354 P CB 0.499 32.112 31.700 -0.146 0.000 0.906 355 F N -0.416 119.460 119.950 -0.123 0.000 2.588 355 F HA 0.782 5.314 4.527 0.008 0.000 0.314 355 F C -0.625 175.099 175.800 -0.127 0.000 1.069 355 F CA -1.170 56.774 58.000 -0.094 0.000 0.931 355 F CB 1.648 40.493 39.000 -0.258 0.000 1.260 355 F HN 0.395 nan 8.300 nan 0.000 0.465 356 S N 0.354 116.156 115.700 0.170 0.000 2.556 356 S HA 0.951 5.426 4.470 0.009 0.000 0.271 356 S C -0.729 173.836 174.600 -0.059 0.000 1.135 356 S CA -0.196 58.033 58.200 0.049 0.000 0.858 356 S CB 1.487 64.794 63.200 0.179 0.000 1.114 356 S HN 1.437 nan 8.310 nan 0.000 0.468 357 G N -0.040 108.679 108.800 -0.135 0.000 3.340 357 G HA2 0.758 4.724 3.960 0.009 0.000 0.176 357 G HA3 0.758 4.724 3.960 0.009 0.000 0.176 357 G C -1.473 173.421 174.900 -0.011 0.000 1.103 357 G CA -0.407 44.542 45.100 -0.252 0.000 0.779 357 G HN 1.111 nan 8.290 nan 0.000 0.673 358 W N -1.606 119.692 121.300 -0.003 0.000 3.029 358 W HA 0.810 5.474 4.660 0.007 0.000 0.339 358 W C -1.729 174.782 176.519 -0.013 0.000 1.198 358 W CA -2.242 55.115 57.345 0.020 0.000 1.148 358 W CB 0.418 29.939 29.460 0.101 0.000 1.451 358 W HN 0.398 nan 8.180 nan 0.000 0.564 359 Y N 2.637 123.149 120.300 0.353 0.000 2.336 359 Y HA 0.261 4.817 4.550 0.009 0.000 0.331 359 Y C 0.947 176.925 175.900 0.129 0.000 1.211 359 Y CA -0.578 57.601 58.100 0.132 0.000 1.346 359 Y CB 1.113 39.545 38.460 -0.046 0.000 1.271 359 Y HN 0.438 nan 8.280 nan 0.000 0.538 360 M N 2.261 122.016 119.600 0.258 0.000 2.233 360 M HA 0.178 4.663 4.480 0.009 0.000 0.355 360 M C 1.072 177.384 176.300 0.018 0.000 1.191 360 M CA -0.182 55.200 55.300 0.137 0.000 1.101 360 M CB 1.072 33.728 32.600 0.094 0.000 1.592 360 M HN 0.846 nan 8.290 nan 0.000 0.461 361 S N 1.229 116.900 115.700 -0.048 0.000 2.400 361 S HA -0.165 4.311 4.470 0.009 0.000 0.232 361 S C 1.513 175.986 174.600 -0.211 0.000 1.025 361 S CA 1.903 59.995 58.200 -0.181 0.000 0.993 361 S CB -1.243 61.888 63.200 -0.114 0.000 0.808 361 S HN 0.929 nan 8.310 nan 0.000 0.478 362 T N 0.134 114.596 114.554 -0.153 0.000 2.929 362 T HA -0.022 4.334 4.350 0.009 0.000 0.271 362 T C 1.531 176.086 174.700 -0.242 0.000 1.085 362 T CA 1.188 63.149 62.100 -0.232 0.000 1.125 362 T CB -0.594 68.100 68.868 -0.290 0.000 0.874 362 T HN 0.594 nan 8.240 nan 0.000 0.494 363 E N 0.849 120.926 120.200 -0.205 0.000 2.118 363 E HA -0.051 4.305 4.350 0.009 0.000 0.195 363 E C 1.977 178.321 176.600 -0.427 0.000 0.992 363 E CA 1.410 57.688 56.400 -0.203 0.000 0.804 363 E CB -0.265 29.445 29.700 0.018 0.000 0.741 363 E HN 0.612 nan 8.360 nan 0.000 0.458 364 I N -0.156 120.034 120.570 -0.633 0.000 2.499 364 I HA -0.011 4.165 4.170 0.009 0.000 0.243 364 I C 2.559 178.339 176.117 -0.561 0.000 1.085 364 I CA 0.752 61.509 61.300 -0.906 0.000 1.422 364 I CB -0.413 36.926 38.000 -1.103 0.000 1.165 364 I HN 0.079 nan 8.210 nan 0.000 0.440 365 G N 0.331 108.899 108.800 -0.386 0.000 2.422 365 G HA2 -0.165 3.800 3.960 0.009 0.000 0.218 365 G HA3 -0.165 3.800 3.960 0.009 0.000 0.218 365 G C 1.605 176.397 174.900 -0.180 0.000 1.146 365 G CA 1.568 46.533 45.100 -0.224 0.000 0.769 365 G HN 0.291 nan 8.290 nan 0.000 0.547 366 T N -0.039 114.385 114.554 -0.217 0.000 2.990 366 T HA 0.103 4.458 4.350 0.009 0.000 0.237 366 T C 2.525 177.119 174.700 -0.177 0.000 1.009 366 T CA 0.284 62.275 62.100 -0.182 0.000 1.195 366 T CB 0.058 68.801 68.868 -0.210 0.000 0.885 366 T HN 0.013 nan 8.240 nan 0.000 0.424 367 R N 1.962 122.337 120.500 -0.209 0.000 2.055 367 R HA 0.152 4.497 4.340 0.009 0.000 0.228 367 R C 2.149 178.338 176.300 -0.184 0.000 1.143 367 R CA 1.048 57.037 56.100 -0.185 0.000 0.945 367 R CB -1.137 29.057 30.300 -0.176 0.000 0.841 367 R HN 0.322 nan 8.270 nan 0.000 0.429 368 N N 1.000 119.540 118.700 -0.267 0.000 2.244 368 N HA -0.068 4.677 4.740 0.009 0.000 0.183 368 N C 1.940 177.413 175.510 -0.062 0.000 1.016 368 N CA 0.966 53.875 53.050 -0.236 0.000 0.866 368 N CB -0.121 37.929 38.487 -0.728 0.000 0.980 368 N HN 0.205 nan 8.380 nan 0.000 0.430 369 L N -0.925 120.207 121.223 -0.151 0.000 2.298 369 L HA 0.090 4.435 4.340 0.009 0.000 0.209 369 L C 1.413 178.324 176.870 0.069 0.000 1.084 369 L CA 0.456 55.298 54.840 0.004 0.000 0.816 369 L CB 0.162 42.187 42.059 -0.057 0.000 0.967 369 L HN 0.144 nan 8.230 nan 0.000 0.460 370 C N -1.649 117.647 119.300 -0.007 0.000 3.019 370 C HA 0.169 4.634 4.460 0.009 0.000 0.295 370 C C 0.716 175.695 174.990 -0.018 0.000 1.256 370 C CA -0.940 58.081 59.018 0.005 0.000 1.706 370 C CB -0.207 27.523 27.740 -0.017 0.000 2.153 370 C HN 0.305 nan 8.230 nan 0.000 0.618 371 D N 2.551 122.908 120.400 -0.073 0.000 2.548 371 D HA 0.031 4.677 4.640 0.009 0.000 0.231 371 D C -1.438 174.827 176.300 -0.058 0.000 1.142 371 D CA -0.793 53.134 54.000 -0.122 0.000 0.866 371 D CB 0.537 41.108 40.800 -0.383 0.000 1.190 371 D HN 0.165 nan 8.370 nan 0.000 0.469 372 P HA -0.122 nan 4.420 nan 0.000 0.220 372 P C 0.720 178.094 177.300 0.122 0.000 1.148 372 P CA 1.181 64.346 63.100 0.109 0.000 0.803 372 P CB 0.015 31.802 31.700 0.144 0.000 0.782 373 H N -2.797 116.280 119.070 0.013 0.000 2.529 373 H HA 0.338 4.899 4.556 0.009 0.000 0.277 373 H C 0.977 176.306 175.328 0.003 0.000 1.004 373 H CA -0.075 55.977 56.048 0.006 0.000 1.167 373 H CB 0.044 29.810 29.762 0.007 0.000 1.445 373 H HN -0.016 nan 8.280 nan 0.000 0.554 374 R N 0.002 120.368 120.500 -0.224 0.000 2.647 374 R HA 0.177 4.522 4.340 0.009 0.000 0.124 374 R C 1.207 177.453 176.300 -0.090 0.000 1.294 374 R CA -0.623 55.392 56.100 -0.141 0.000 1.060 374 R CB -0.843 29.409 30.300 -0.081 0.000 1.282 374 R HN 0.114 nan 8.270 nan 0.000 0.430 375 Y N 1.469 121.787 120.300 0.030 0.000 2.439 375 Y HA -0.007 4.548 4.550 0.009 0.000 0.292 375 Y C 0.705 176.632 175.900 0.046 0.000 1.130 375 Y CA 1.118 59.256 58.100 0.063 0.000 1.254 375 Y CB -0.168 38.377 38.460 0.141 0.000 1.000 375 Y HN 0.536 nan 8.280 nan 0.000 0.554 376 N N 0.911 119.701 118.700 0.149 0.000 2.714 376 N HA -0.221 4.524 4.740 0.009 0.000 0.253 376 N C 0.488 176.076 175.510 0.130 0.000 1.024 376 N CA 0.377 53.491 53.050 0.107 0.000 0.726 376 N CB -1.025 37.507 38.487 0.076 0.000 0.908 376 N HN 0.619 nan 8.380 nan 0.000 0.542 377 I N -3.381 117.276 120.570 0.145 0.000 3.883 377 I HA 0.030 4.206 4.170 0.009 0.000 0.326 377 I C 1.801 178.003 176.117 0.142 0.000 1.283 377 I CA -0.431 60.952 61.300 0.138 0.000 1.161 377 I CB -0.005 38.077 38.000 0.138 0.000 1.012 377 I HN 0.079 nan 8.210 nan 0.000 0.421 378 L N 1.834 123.150 121.223 0.156 0.000 1.997 378 L HA -0.259 4.086 4.340 0.009 0.000 0.216 378 L C 2.589 179.643 176.870 0.307 0.000 1.074 378 L CA 2.083 57.047 54.840 0.206 0.000 0.763 378 L CB -1.038 41.118 42.059 0.161 0.000 0.890 378 L HN 0.458 nan 8.230 nan 0.000 0.434 379 E N -1.078 119.305 120.200 0.305 0.000 2.077 379 E HA -0.234 4.122 4.350 0.009 0.000 0.193 379 E C 1.789 178.424 176.600 0.059 0.000 0.989 379 E CA 1.307 57.829 56.400 0.203 0.000 0.800 379 E CB 0.056 29.822 29.700 0.110 0.000 0.746 379 E HN 0.518 nan 8.360 nan 0.000 0.452 380 D N -0.099 120.336 120.400 0.058 0.000 2.092 380 D HA -0.155 4.490 4.640 0.009 0.000 0.193 380 D C 2.056 178.347 176.300 -0.015 0.000 0.994 380 D CA 1.042 55.043 54.000 0.002 0.000 0.828 380 D CB -0.282 40.528 40.800 0.018 0.000 0.963 380 D HN 0.094 nan 8.370 nan 0.000 0.450 381 V N 1.417 121.370 119.914 0.066 0.000 2.343 381 V HA -0.205 3.921 4.120 0.009 0.000 0.247 381 V C 2.497 178.657 176.094 0.110 0.000 1.051 381 V CA 1.721 64.100 62.300 0.132 0.000 1.036 381 V CB -0.721 31.258 31.823 0.260 0.000 0.654 381 V HN 0.182 nan 8.190 nan 0.000 0.451 382 A N -0.448 122.455 122.820 0.137 0.000 2.015 382 A HA -0.115 4.211 4.320 0.009 0.000 0.219 382 A C 2.356 179.909 177.584 -0.052 0.000 1.163 382 A CA 1.743 53.852 52.037 0.120 0.000 0.646 382 A CB -0.473 18.694 19.000 0.280 0.000 0.806 382 A HN 0.348 nan 8.150 nan 0.000 0.448 383 V N -0.920 118.920 119.914 -0.123 0.000 2.307 383 V HA -0.288 3.837 4.120 0.009 0.000 0.245 383 V C 2.619 178.558 176.094 -0.259 0.000 1.045 383 V CA 1.954 64.142 62.300 -0.188 0.000 1.024 383 V CB -1.048 30.668 31.823 -0.178 0.000 0.651 383 V HN 0.709 nan 8.190 nan 0.000 0.449 384 C N -0.207 118.865 119.300 -0.379 0.000 2.413 384 C HA -0.218 4.247 4.460 0.009 0.000 0.276 384 C C 2.719 177.292 174.990 -0.695 0.000 1.248 384 C CA 1.247 59.792 59.018 -0.788 0.000 1.742 384 C CB -1.026 25.901 27.740 -1.355 0.000 2.017 384 C HN 0.520 nan 8.230 nan 0.000 0.481 385 M N -0.135 119.296 119.600 -0.281 0.000 2.659 385 M HA -0.008 4.478 4.480 0.009 0.000 0.243 385 M C 0.688 176.978 176.300 -0.017 0.000 1.111 385 M CA 1.120 56.434 55.300 0.025 0.000 1.070 385 M CB -0.446 32.261 32.600 0.179 0.000 1.525 385 M HN 0.351 nan 8.290 nan 0.000 0.517 386 D N 0.686 121.025 120.400 -0.102 0.000 2.907 386 D HA -0.143 4.503 4.640 0.009 0.000 0.226 386 D C -0.690 175.578 176.300 -0.053 0.000 1.141 386 D CA 0.376 54.323 54.000 -0.089 0.000 0.779 386 D CB -0.961 39.796 40.800 -0.071 0.000 1.095 386 D HN 0.298 nan 8.370 nan 0.000 0.430 387 L N -0.094 121.104 121.223 -0.041 0.000 2.466 387 L HA 0.295 4.640 4.340 0.009 0.000 0.257 387 L C 0.972 177.781 176.870 -0.102 0.000 1.189 387 L CA -0.441 54.395 54.840 -0.007 0.000 0.813 387 L CB 0.419 42.538 42.059 0.100 0.000 1.118 387 L HN 0.044 nan 8.230 nan 0.000 0.471 388 D N 0.418 120.778 120.400 -0.066 0.000 2.470 388 D HA 0.013 4.659 4.640 0.009 0.000 0.226 388 D C 1.064 177.158 176.300 -0.344 0.000 1.196 388 D CA -0.222 53.697 54.000 -0.135 0.000 0.979 388 D CB 0.634 41.416 40.800 -0.030 0.000 1.059 388 D HN 0.580 nan 8.370 nan 0.000 0.515 389 T N 0.520 114.663 114.554 -0.685 0.000 3.148 389 T HA 0.065 4.420 4.350 0.009 0.000 0.253 389 T C 1.534 175.813 174.700 -0.702 0.000 1.134 389 T CA 0.107 61.310 62.100 -1.495 0.000 1.051 389 T CB 0.002 67.940 68.868 -1.549 0.000 0.959 389 T HN 0.171 nan 8.240 nan 0.000 0.525 390 R N 0.462 120.780 120.500 -0.304 0.000 2.310 390 R HA 0.242 4.588 4.340 0.009 0.000 0.202 390 R C 0.483 176.800 176.300 0.028 0.000 0.933 390 R CA 0.327 56.363 56.100 -0.107 0.000 1.054 390 R CB 0.408 30.655 30.300 -0.088 0.000 0.985 390 R HN 0.375 nan 8.270 nan 0.000 0.489 391 T N -1.726 112.896 114.554 0.114 0.000 2.993 391 T HA 0.097 4.453 4.350 0.009 0.000 0.312 391 T C 1.077 175.977 174.700 0.334 0.000 1.115 391 T CA -0.555 61.655 62.100 0.183 0.000 1.027 391 T CB 1.568 70.501 68.868 0.107 0.000 1.116 391 T HN 0.189 nan 8.240 nan 0.000 0.464 392 T N 0.965 115.660 114.554 0.234 0.000 2.821 392 T HA -0.077 4.278 4.350 0.009 0.000 0.267 392 T C 2.028 176.781 174.700 0.089 0.000 1.046 392 T CA 1.592 63.779 62.100 0.146 0.000 1.139 392 T CB -0.614 68.288 68.868 0.058 0.000 0.871 392 T HN 0.713 nan 8.240 nan 0.000 0.454 393 S N 1.887 117.643 115.700 0.094 0.000 2.603 393 S HA 0.030 4.505 4.470 0.009 0.000 0.229 393 S C 1.951 176.600 174.600 0.081 0.000 0.972 393 S CA 0.481 58.718 58.200 0.062 0.000 0.935 393 S CB -0.784 62.445 63.200 0.049 0.000 0.769 393 S HN 0.722 nan 8.310 nan 0.000 0.536 394 S N 1.472 117.259 115.700 0.144 0.000 2.558 394 S HA 0.256 4.731 4.470 0.009 0.000 0.217 394 S C 0.951 175.636 174.600 0.141 0.000 0.975 394 S CA 0.038 58.330 58.200 0.154 0.000 0.912 394 S CB -0.962 62.362 63.200 0.208 0.000 0.776 394 S HN 0.617 nan 8.310 nan 0.000 0.526 395 L N 0.780 122.048 121.223 0.075 0.000 3.843 395 L HA -0.194 4.151 4.340 0.009 0.000 0.411 395 L C 1.751 178.622 176.870 0.003 0.000 1.205 395 L CA 0.761 55.586 54.840 -0.025 0.000 0.945 395 L CB -2.542 39.512 42.059 -0.008 0.000 1.929 395 L HN 0.734 nan 8.230 nan 0.000 0.934 396 W N 0.293 121.603 121.300 0.017 0.000 2.342 396 W HA -0.182 4.483 4.660 0.009 0.000 0.297 396 W C 1.729 178.264 176.519 0.025 0.000 1.213 396 W CA 1.481 58.839 57.345 0.021 0.000 1.251 396 W CB -0.764 28.705 29.460 0.015 0.000 1.136 396 W HN 0.292 nan 8.180 nan 0.000 0.526 397 K N 1.050 121.035 120.400 -0.692 0.000 2.057 397 K HA -0.162 4.163 4.320 0.009 0.000 0.207 397 K C 1.504 177.972 176.600 -0.220 0.000 1.049 397 K CA 2.344 58.267 56.287 -0.606 0.000 0.931 397 K CB -0.402 31.595 32.500 -0.838 0.000 0.714 397 K HN 0.103 nan 8.250 nan 0.000 0.440 398 D N 0.683 120.975 120.400 -0.181 0.000 2.117 398 D HA -0.114 4.531 4.640 0.009 0.000 0.198 398 D C 1.722 178.015 176.300 -0.012 0.000 0.982 398 D CA 1.189 55.138 54.000 -0.086 0.000 0.828 398 D CB 0.047 40.802 40.800 -0.075 0.000 0.967 398 D HN 0.143 nan 8.370 nan 0.000 0.464 399 K N 0.592 121.012 120.400 0.033 0.000 2.025 399 K HA 0.034 4.360 4.320 0.009 0.000 0.207 399 K C 2.243 178.908 176.600 0.108 0.000 1.049 399 K CA 1.071 57.406 56.287 0.079 0.000 0.933 399 K CB -0.158 32.409 32.500 0.111 0.000 0.714 399 K HN 0.071 nan 8.250 nan 0.000 0.438 400 A N 1.735 124.641 122.820 0.143 0.000 1.877 400 A HA -0.138 4.187 4.320 0.009 0.000 0.216 400 A C 2.416 180.083 177.584 0.139 0.000 1.186 400 A CA 1.919 54.066 52.037 0.183 0.000 0.620 400 A CB -0.811 18.334 19.000 0.242 0.000 0.822 400 A HN 0.336 nan 8.150 nan 0.000 0.443 401 A N -0.633 122.229 122.820 0.070 0.000 1.940 401 A HA -0.030 4.295 4.320 0.009 0.000 0.219 401 A C 2.231 179.831 177.584 0.026 0.000 1.176 401 A CA 1.857 53.911 52.037 0.027 0.000 0.631 401 A CB -0.907 18.071 19.000 -0.037 0.000 0.814 401 A HN 0.399 nan 8.150 nan 0.000 0.446 402 V N 0.305 120.241 119.914 0.038 0.000 2.343 402 V HA -0.200 3.926 4.120 0.009 0.000 0.247 402 V C 2.551 178.685 176.094 0.066 0.000 1.051 402 V CA 2.111 64.439 62.300 0.046 0.000 1.036 402 V CB -0.654 31.202 31.823 0.055 0.000 0.654 402 V HN 0.539 nan 8.190 nan 0.000 0.451 403 E N -0.025 120.235 120.200 0.100 0.000 2.106 403 E HA -0.130 4.225 4.350 0.009 0.000 0.192 403 E C 2.139 178.783 176.600 0.074 0.000 0.984 403 E CA 1.189 57.666 56.400 0.129 0.000 0.806 403 E CB -0.312 29.445 29.700 0.095 0.000 0.750 403 E HN 0.577 nan 8.360 nan 0.000 0.458 404 I N 1.803 122.448 120.570 0.126 0.000 2.179 404 I HA -0.274 3.901 4.170 0.009 0.000 0.242 404 I C 2.196 178.317 176.117 0.006 0.000 1.088 404 I CA 0.911 62.298 61.300 0.146 0.000 1.357 404 I CB -0.370 37.768 38.000 0.229 0.000 1.051 404 I HN 0.072 nan 8.210 nan 0.000 0.409 405 N N 0.757 119.449 118.700 -0.014 0.000 2.069 405 N HA -0.206 4.539 4.740 0.009 0.000 0.191 405 N C 1.946 177.424 175.510 -0.053 0.000 1.031 405 N CA 1.378 54.397 53.050 -0.052 0.000 0.852 405 N CB -0.294 38.167 38.487 -0.042 0.000 1.018 405 N HN 0.204 nan 8.380 nan 0.000 0.423 406 L N 1.518 122.713 121.223 -0.046 0.000 2.083 406 L HA -0.070 4.275 4.340 0.009 0.000 0.209 406 L C 2.259 179.018 176.870 -0.184 0.000 1.083 406 L CA 1.429 56.210 54.840 -0.099 0.000 0.752 406 L CB -0.733 41.259 42.059 -0.113 0.000 0.899 406 L HN 0.074 nan 8.230 nan 0.000 0.433 407 A N -1.262 121.407 122.820 -0.251 0.000 1.902 407 A HA -0.139 4.186 4.320 0.009 0.000 0.217 407 A C 2.262 179.782 177.584 -0.106 0.000 1.181 407 A CA 1.910 53.739 52.037 -0.346 0.000 0.623 407 A CB -1.065 17.415 19.000 -0.867 0.000 0.818 407 A HN 0.290 nan 8.150 nan 0.000 0.443 408 V N 0.041 119.913 119.914 -0.070 0.000 2.255 408 V HA -0.288 3.837 4.120 0.009 0.000 0.247 408 V C 2.591 178.693 176.094 0.013 0.000 1.051 408 V CA 2.106 64.396 62.300 -0.015 0.000 1.018 408 V CB -0.831 30.896 31.823 -0.160 0.000 0.641 408 V HN 0.574 nan 8.190 nan 0.000 0.445 409 L N -0.489 120.709 121.223 -0.041 0.000 1.989 409 L HA -0.264 4.081 4.340 0.009 0.000 0.211 409 L C 2.627 179.528 176.870 0.051 0.000 1.071 409 L CA 2.393 57.227 54.840 -0.010 0.000 0.749 409 L CB -0.792 41.258 42.059 -0.016 0.000 0.890 409 L HN 0.511 nan 8.230 nan 0.000 0.431 410 H N -0.723 118.305 119.070 -0.070 0.000 2.387 410 H HA -0.118 4.444 4.556 0.009 0.000 0.299 410 H C 2.265 177.579 175.328 -0.023 0.000 1.090 410 H CA 1.839 57.838 56.048 -0.083 0.000 1.332 410 H CB 0.109 29.756 29.762 -0.192 0.000 1.386 410 H HN 0.190 nan 8.280 nan 0.000 0.516 411 S N -0.353 115.310 115.700 -0.063 0.000 2.371 411 S HA -0.073 4.403 4.470 0.009 0.000 0.224 411 S C 1.806 176.380 174.600 -0.044 0.000 1.029 411 S CA 0.969 59.119 58.200 -0.084 0.000 0.978 411 S CB -0.388 62.849 63.200 0.062 0.000 0.833 411 S HN 0.307 nan 8.310 nan 0.000 0.466 412 F N 2.210 122.100 119.950 -0.101 0.000 2.134 412 F HA -0.103 4.429 4.527 0.008 0.000 0.299 412 F C 2.666 178.409 175.800 -0.094 0.000 1.097 412 F CA 1.094 59.057 58.000 -0.062 0.000 1.264 412 F CB -0.723 38.265 39.000 -0.019 0.000 1.001 412 F HN 0.199 nan 8.300 nan 0.000 0.479 413 Q N -0.534 119.300 119.800 0.056 0.000 2.061 413 Q HA -0.229 4.117 4.340 0.009 0.000 0.204 413 Q C 2.224 178.155 176.000 -0.115 0.000 0.984 413 Q CA 1.575 57.354 55.803 -0.039 0.000 0.846 413 Q CB -0.560 28.148 28.738 -0.049 0.000 0.902 413 Q HN 0.304 nan 8.270 nan 0.000 0.421 414 L N 0.480 121.570 121.223 -0.222 0.000 2.012 414 L HA -0.132 4.214 4.340 0.009 0.000 0.210 414 L C 1.947 178.728 176.870 -0.148 0.000 1.073 414 L CA 2.120 56.825 54.840 -0.226 0.000 0.748 414 L CB -0.733 41.120 42.059 -0.343 0.000 0.891 414 L HN 0.154 nan 8.230 nan 0.000 0.431 415 A N -1.220 121.508 122.820 -0.154 0.000 2.235 415 A HA -0.020 4.306 4.320 0.009 0.000 0.208 415 A C 0.721 178.236 177.584 -0.116 0.000 1.172 415 A CA 0.141 52.092 52.037 -0.143 0.000 0.786 415 A CB -0.527 18.350 19.000 -0.204 0.000 0.804 415 A HN 0.463 nan 8.150 nan 0.000 0.479 416 K N -0.913 119.432 120.400 -0.092 0.000 3.148 416 K HA -0.140 4.185 4.320 0.009 0.000 0.267 416 K C -0.705 175.862 176.600 -0.056 0.000 0.996 416 K CA 0.815 57.062 56.287 -0.066 0.000 0.737 416 K CB -2.529 29.933 32.500 -0.062 0.000 1.308 416 K HN 0.283 nan 8.250 nan 0.000 0.470 417 V N 0.978 120.871 119.914 -0.036 0.000 2.495 417 V HA 0.176 4.302 4.120 0.009 0.000 0.298 417 V C 0.797 176.978 176.094 0.145 0.000 1.031 417 V CA -0.738 61.573 62.300 0.018 0.000 0.871 417 V CB 2.060 33.816 31.823 -0.113 0.000 0.988 417 V HN 0.290 nan 8.190 nan 0.000 0.432 418 T N 6.123 120.721 114.554 0.073 0.000 2.902 418 T HA 0.471 4.827 4.350 0.009 0.000 0.301 418 T C -0.264 174.497 174.700 0.101 0.000 1.012 418 T CA 0.714 62.772 62.100 -0.070 0.000 1.151 418 T CB 0.244 68.894 68.868 -0.362 0.000 0.946 418 T HN 0.561 nan 8.240 nan 0.000 0.542 419 I N 2.336 122.914 120.570 0.013 0.000 3.004 419 I HA 0.670 4.845 4.170 0.009 0.000 0.305 419 I C -1.548 174.596 176.117 0.045 0.000 1.312 419 I CA -0.979 60.358 61.300 0.061 0.000 0.992 419 I CB 2.048 40.007 38.000 -0.068 0.000 1.282 419 I HN 0.434 nan 8.210 nan 0.000 0.449 420 V N 4.870 124.868 119.914 0.139 0.000 2.638 420 V HA 0.474 4.599 4.120 0.009 0.000 0.306 420 V C -1.167 174.975 176.094 0.080 0.000 1.052 420 V CA -0.329 62.049 62.300 0.130 0.000 0.885 420 V CB 2.139 34.116 31.823 0.257 0.000 0.999 420 V HN 0.888 nan 8.190 nan 0.000 0.424 421 D N 4.028 124.450 120.400 0.037 0.000 2.358 421 D HA 0.154 4.799 4.640 0.009 0.000 0.244 421 D C 1.233 177.511 176.300 -0.036 0.000 1.163 421 D CA 0.199 54.197 54.000 -0.003 0.000 0.945 421 D CB 0.462 41.225 40.800 -0.062 0.000 1.152 421 D HN 0.728 nan 8.370 nan 0.000 0.451 422 H N -0.215 118.773 119.070 -0.136 0.000 2.491 422 H HA -0.102 4.459 4.556 0.009 0.000 0.290 422 H C 0.956 176.169 175.328 -0.192 0.000 1.050 422 H CA 1.116 57.051 56.048 -0.189 0.000 1.309 422 H CB -0.526 29.069 29.762 -0.277 0.000 1.392 422 H HN 0.512 nan 8.280 nan 0.000 0.554 423 H N 1.279 120.152 119.070 -0.327 0.000 2.307 423 H HA 0.133 4.695 4.556 0.009 0.000 0.303 423 H C 2.501 177.810 175.328 -0.032 0.000 1.073 423 H CA 1.379 57.334 56.048 -0.154 0.000 1.338 423 H CB -0.321 29.318 29.762 -0.204 0.000 1.389 423 H HN 0.498 nan 8.280 nan 0.000 0.503 424 A N 1.434 124.309 122.820 0.091 0.000 1.898 424 A HA -0.053 4.272 4.320 0.009 0.000 0.216 424 A C 2.699 180.355 177.584 0.119 0.000 1.181 424 A CA 1.662 53.756 52.037 0.094 0.000 0.620 424 A CB -0.815 18.231 19.000 0.076 0.000 0.819 424 A HN 0.427 nan 8.150 nan 0.000 0.442 425 A N -0.132 122.757 122.820 0.116 0.000 1.883 425 A HA -0.147 4.178 4.320 0.009 0.000 0.217 425 A C 2.470 180.152 177.584 0.162 0.000 1.186 425 A CA 2.751 54.874 52.037 0.144 0.000 0.624 425 A CB -1.410 17.661 19.000 0.118 0.000 0.822 425 A HN 0.759 nan 8.150 nan 0.000 0.444 426 T N -3.090 111.545 114.554 0.134 0.000 2.896 426 T HA -0.040 4.315 4.350 0.009 0.000 0.263 426 T C 1.698 176.528 174.700 0.218 0.000 1.050 426 T CA 1.212 63.415 62.100 0.172 0.000 1.140 426 T CB -0.704 68.234 68.868 0.118 0.000 0.877 426 T HN 0.040 nan 8.240 nan 0.000 0.457 427 V N 2.878 122.895 119.914 0.171 0.000 2.332 427 V HA -0.185 3.940 4.120 0.009 0.000 0.248 427 V C 3.213 179.400 176.094 0.155 0.000 1.055 427 V CA 2.234 64.624 62.300 0.151 0.000 1.038 427 V CB -0.907 30.984 31.823 0.114 0.000 0.651 427 V HN 0.813 nan 8.190 nan 0.000 0.450 428 S N -0.653 115.148 115.700 0.169 0.000 2.428 428 S HA -0.177 4.298 4.470 0.009 0.000 0.230 428 S C 1.927 176.653 174.600 0.209 0.000 1.014 428 S CA 1.300 59.599 58.200 0.165 0.000 0.957 428 S CB -0.641 62.655 63.200 0.161 0.000 0.784 428 S HN 0.542 nan 8.310 nan 0.000 0.499 429 F N 2.106 122.120 119.950 0.107 0.000 2.259 429 F HA 0.129 4.661 4.527 0.008 0.000 0.298 429 F C 2.173 178.063 175.800 0.149 0.000 1.088 429 F CA 1.053 59.131 58.000 0.129 0.000 1.358 429 F CB -0.267 38.790 39.000 0.094 0.000 1.040 429 F HN 0.104 nan 8.300 nan 0.000 0.505 430 M N 0.283 119.973 119.600 0.150 0.000 2.117 430 M HA -0.196 4.289 4.480 0.009 0.000 0.262 430 M C 2.234 178.515 176.300 -0.033 0.000 1.065 430 M CA 1.628 56.956 55.300 0.047 0.000 1.114 430 M CB -1.318 31.352 32.600 0.116 0.000 1.361 430 M HN 0.090 nan 8.290 nan 0.000 0.408 431 K N -0.314 120.096 120.400 0.017 0.000 2.103 431 K HA -0.222 4.104 4.320 0.009 0.000 0.207 431 K C 1.980 178.564 176.600 -0.027 0.000 1.048 431 K CA 1.769 58.060 56.287 0.008 0.000 0.930 431 K CB -0.489 32.038 32.500 0.046 0.000 0.716 431 K HN 0.391 nan 8.250 nan 0.000 0.444 432 H N 0.040 119.021 119.070 -0.148 0.000 2.353 432 H HA -0.021 4.540 4.556 0.009 0.000 0.300 432 H C 1.647 176.813 175.328 -0.271 0.000 1.090 432 H CA 2.146 58.076 56.048 -0.198 0.000 1.327 432 H CB -0.156 29.465 29.762 -0.237 0.000 1.383 432 H HN 0.177 nan 8.280 nan 0.000 0.508 433 L N 0.148 121.075 121.223 -0.494 0.000 2.012 433 L HA -0.213 4.132 4.340 0.009 0.000 0.210 433 L C 2.181 178.896 176.870 -0.258 0.000 1.073 433 L CA 1.574 56.164 54.840 -0.417 0.000 0.748 433 L CB -0.463 41.414 42.059 -0.303 0.000 0.891 433 L HN 0.402 nan 8.230 nan 0.000 0.431 434 D N 0.002 120.298 120.400 -0.173 0.000 2.104 434 D HA -0.168 4.477 4.640 0.009 0.000 0.194 434 D C 1.932 178.159 176.300 -0.122 0.000 0.994 434 D CA 1.198 55.131 54.000 -0.112 0.000 0.830 434 D CB -0.401 40.361 40.800 -0.064 0.000 0.959 434 D HN 0.317 nan 8.370 nan 0.000 0.452 435 N N 1.080 119.697 118.700 -0.139 0.000 2.069 435 N HA -0.144 4.601 4.740 0.009 0.000 0.191 435 N C 1.658 177.082 175.510 -0.144 0.000 1.031 435 N CA 0.879 53.864 53.050 -0.108 0.000 0.852 435 N CB -0.234 38.216 38.487 -0.062 0.000 1.018 435 N HN 0.299 nan 8.380 nan 0.000 0.423 436 E N 0.493 120.527 120.200 -0.277 0.000 2.158 436 E HA -0.120 4.235 4.350 0.009 0.000 0.191 436 E C 1.889 178.392 176.600 -0.162 0.000 0.982 436 E CA 0.406 56.647 56.400 -0.264 0.000 0.823 436 E CB -0.124 29.306 29.700 -0.450 0.000 0.766 436 E HN 0.306 nan 8.360 nan 0.000 0.468 437 Q N 1.656 121.368 119.800 -0.146 0.000 2.045 437 Q HA -0.159 4.186 4.340 0.009 0.000 0.206 437 Q C 1.862 177.818 176.000 -0.074 0.000 0.991 437 Q CA 1.847 57.595 55.803 -0.092 0.000 0.851 437 Q CB -0.035 28.657 28.738 -0.076 0.000 0.911 437 Q HN 0.113 nan 8.270 nan 0.000 0.418 438 K N -0.952 119.407 120.400 -0.069 0.000 2.097 438 K HA -0.034 4.291 4.320 0.009 0.000 0.205 438 K C 1.957 178.529 176.600 -0.046 0.000 1.050 438 K CA 1.079 57.336 56.287 -0.050 0.000 0.938 438 K CB -0.136 32.340 32.500 -0.041 0.000 0.718 438 K HN 0.262 nan 8.250 nan 0.000 0.442 439 A N 0.947 123.738 122.820 -0.049 0.000 1.903 439 A HA -0.003 4.323 4.320 0.009 0.000 0.213 439 A C 1.821 179.379 177.584 -0.042 0.000 1.185 439 A CA 0.905 52.924 52.037 -0.031 0.000 0.628 439 A CB 0.098 19.097 19.000 -0.001 0.000 0.830 439 A HN 0.113 nan 8.150 nan 0.000 0.446 440 R N -2.434 118.028 120.500 -0.063 0.000 2.521 440 R HA 0.241 4.586 4.340 0.009 0.000 0.289 440 R C 0.757 177.016 176.300 -0.070 0.000 0.936 440 R CA 0.588 56.651 56.100 -0.063 0.000 1.089 440 R CB 0.777 31.033 30.300 -0.073 0.000 1.348 440 R HN 0.699 nan 8.270 nan 0.000 0.536 441 G N 1.066 109.820 108.800 -0.076 0.000 2.171 441 G HA2 -0.156 3.809 3.960 0.009 0.000 0.238 441 G HA3 -0.156 3.809 3.960 0.009 0.000 0.238 441 G C 0.188 175.052 174.900 -0.061 0.000 1.039 441 G CA 0.096 45.143 45.100 -0.088 0.000 0.759 441 G HN 0.721 nan 8.290 nan 0.000 0.501 442 G N -2.414 106.363 108.800 -0.038 0.000 2.361 442 G HA2 0.514 4.479 3.960 0.009 0.000 0.305 442 G HA3 0.514 4.479 3.960 0.009 0.000 0.305 442 G C -0.690 174.221 174.900 0.018 0.000 1.367 442 G CA 0.322 45.434 45.100 0.020 0.000 0.951 442 G HN 1.968 nan 8.290 nan 0.000 0.615 443 C N 2.264 121.596 119.300 0.054 0.000 2.599 443 C HA 0.766 5.231 4.460 0.009 0.000 0.354 443 C C -2.475 172.495 174.990 -0.034 0.000 1.092 443 C CA -1.304 57.702 59.018 -0.020 0.000 1.280 443 C CB 1.305 28.974 27.740 -0.117 0.000 1.829 443 C HN 0.716 nan 8.230 nan 0.000 0.454 444 P HA 0.431 nan 4.420 nan 0.000 0.271 444 P C -0.728 176.463 177.300 -0.183 0.000 1.226 444 P CA 0.494 63.225 63.100 -0.615 0.000 0.765 444 P CB 1.141 32.178 31.700 -1.106 0.000 0.835 445 A N 2.549 125.333 122.820 -0.060 0.000 2.488 445 A HA 0.440 4.766 4.320 0.009 0.000 0.298 445 A C -1.245 176.395 177.584 0.093 0.000 1.044 445 A CA -0.543 51.549 52.037 0.092 0.000 0.693 445 A CB 1.345 20.518 19.000 0.289 0.000 1.272 445 A HN 0.439 nan 8.150 nan 0.000 0.402 446 D N 1.829 122.276 120.400 0.077 0.000 2.443 446 D HA 0.172 4.817 4.640 0.009 0.000 0.221 446 D C 0.725 177.160 176.300 0.224 0.000 1.097 446 D CA -0.489 53.587 54.000 0.127 0.000 0.865 446 D CB 0.507 41.319 40.800 0.019 0.000 1.034 446 D HN 0.597 nan 8.370 nan 0.000 0.511 447 W N 4.406 125.754 121.300 0.080 0.000 2.338 447 W HA -0.223 4.443 4.660 0.009 0.000 0.304 447 W C 1.894 178.457 176.519 0.073 0.000 1.212 447 W CA 2.099 59.478 57.345 0.056 0.000 1.264 447 W CB 0.057 29.526 29.460 0.015 0.000 1.142 447 W HN 0.558 nan 8.180 nan 0.000 0.512 448 A N -0.928 122.178 122.820 0.477 0.000 1.978 448 A HA -0.211 4.114 4.320 0.009 0.000 0.220 448 A C 1.506 179.153 177.584 0.105 0.000 1.170 448 A CA 1.722 53.964 52.037 0.342 0.000 0.636 448 A CB -1.290 17.939 19.000 0.383 0.000 0.810 448 A HN 0.548 nan 8.150 nan 0.000 0.448 449 W N -0.924 120.350 121.300 -0.043 0.000 2.704 449 W HA 0.196 4.861 4.660 0.008 0.000 0.266 449 W C 1.909 178.320 176.519 -0.181 0.000 1.266 449 W CA -0.071 57.226 57.345 -0.080 0.000 1.377 449 W CB -0.058 29.383 29.460 -0.032 0.000 1.082 449 W HN 0.134 nan 8.180 nan 0.000 0.608 450 I N -0.105 120.432 120.570 -0.054 0.000 2.286 450 I HA -0.082 4.093 4.170 0.009 0.000 0.245 450 I C 0.665 176.581 176.117 -0.336 0.000 1.104 450 I CA 0.822 61.952 61.300 -0.282 0.000 1.397 450 I CB -1.453 36.294 38.000 -0.422 0.000 1.072 450 I HN -0.415 nan 8.210 nan 0.000 0.417 451 V N 4.137 123.767 119.914 -0.474 0.000 2.529 451 V HA 0.057 4.182 4.120 0.009 0.000 0.292 451 V C -1.897 174.025 176.094 -0.286 0.000 1.028 451 V CA -0.945 61.073 62.300 -0.471 0.000 1.074 451 V CB 0.020 31.327 31.823 -0.860 0.000 0.958 451 V HN 0.139 nan 8.190 nan 0.000 0.481 452 P HA 0.198 nan 4.420 nan 0.000 0.272 452 P C -2.010 175.165 177.300 -0.208 0.000 1.230 452 P CA -1.400 61.581 63.100 -0.199 0.000 0.788 452 P CB 0.067 31.656 31.700 -0.185 0.000 0.949 453 P HA 0.075 nan 4.420 nan 0.000 0.245 453 P C 0.135 177.317 177.300 -0.197 0.000 1.206 453 P CA 0.785 63.766 63.100 -0.197 0.000 0.781 453 P CB 0.077 31.655 31.700 -0.203 0.000 0.994 454 I N -6.159 114.250 120.570 -0.268 0.000 2.846 454 I HA 0.503 4.679 4.170 0.009 0.000 0.307 454 I C 0.165 176.159 176.117 -0.205 0.000 1.053 454 I CA -1.250 59.909 61.300 -0.235 0.000 1.050 454 I CB 1.832 39.669 38.000 -0.271 0.000 1.239 454 I HN -0.410 nan 8.210 nan 0.000 0.439 455 S N 2.177 117.813 115.700 -0.107 0.000 3.521 455 S HA -0.194 4.282 4.470 0.009 0.000 0.328 455 S C 1.422 175.991 174.600 -0.052 0.000 1.165 455 S CA 0.816 58.997 58.200 -0.032 0.000 0.941 455 S CB -1.592 61.667 63.200 0.097 0.000 0.951 455 S HN 1.260 nan 8.310 nan 0.000 0.539 456 G N 2.105 110.842 108.800 -0.105 0.000 2.681 456 G HA2 -0.367 3.598 3.960 0.009 0.000 0.220 456 G HA3 -0.367 3.598 3.960 0.009 0.000 0.220 456 G C 1.418 176.175 174.900 -0.239 0.000 1.210 456 G CA 1.740 46.782 45.100 -0.098 0.000 0.783 456 G HN 1.340 nan 8.290 nan 0.000 0.609 457 S N -0.250 115.041 115.700 -0.682 0.000 2.561 457 S HA 0.187 4.662 4.470 0.009 0.000 0.225 457 S C 1.900 176.439 174.600 -0.102 0.000 0.977 457 S CA 0.474 58.137 58.200 -0.895 0.000 0.926 457 S CB 0.069 62.539 63.200 -1.217 0.000 0.769 457 S HN 0.065 nan 8.310 nan 0.000 0.533 458 L N 2.572 123.781 121.223 -0.023 0.000 2.492 458 L HA 0.237 4.583 4.340 0.009 0.000 0.223 458 L C 1.360 178.357 176.870 0.211 0.000 1.132 458 L CA 0.692 55.605 54.840 0.122 0.000 0.850 458 L CB -1.152 40.999 42.059 0.153 0.000 0.966 458 L HN 0.584 nan 8.230 nan 0.000 0.454 459 T N -4.028 110.641 114.554 0.192 0.000 2.902 459 T HA 0.351 4.706 4.350 0.009 0.000 0.283 459 T C -1.653 173.214 174.700 0.278 0.000 1.009 459 T CA -1.936 60.296 62.100 0.220 0.000 1.051 459 T CB 1.883 70.834 68.868 0.138 0.000 0.999 459 T HN -0.137 nan 8.240 nan 0.000 0.474 460 P HA -0.107 nan 4.420 nan 0.000 0.219 460 P C 1.804 179.309 177.300 0.343 0.000 1.146 460 P CA 1.058 64.352 63.100 0.324 0.000 0.808 460 P CB -0.355 31.482 31.700 0.228 0.000 0.779 461 V N -4.071 115.993 119.914 0.249 0.000 2.759 461 V HA -0.166 3.960 4.120 0.009 0.000 0.256 461 V C 2.327 178.512 176.094 0.151 0.000 1.080 461 V CA 1.028 63.444 62.300 0.194 0.000 1.101 461 V CB -2.165 29.705 31.823 0.078 0.000 0.698 461 V HN -0.125 nan 8.190 nan 0.000 0.477 462 F N 1.911 121.835 119.950 -0.043 0.000 2.120 462 F HA -0.189 4.344 4.527 0.009 0.000 0.300 462 F C 2.474 178.385 175.800 0.184 0.000 1.095 462 F CA 2.338 60.318 58.000 -0.035 0.000 1.249 462 F CB -0.239 38.604 39.000 -0.261 0.000 0.995 462 F HN 0.292 nan 8.300 nan 0.000 0.480 463 H N -1.141 118.252 119.070 0.538 0.000 2.539 463 H HA 0.102 4.664 4.556 0.009 0.000 0.267 463 H C 0.271 175.852 175.328 0.423 0.000 0.982 463 H CA 0.242 56.568 56.048 0.462 0.000 1.146 463 H CB -0.161 29.854 29.762 0.422 0.000 1.382 463 H HN 0.253 nan 8.280 nan 0.000 0.577 464 Q N 1.910 121.991 119.800 0.468 0.000 2.314 464 Q HA 0.169 4.514 4.340 0.009 0.000 0.259 464 Q C -0.644 175.596 176.000 0.401 0.000 0.951 464 Q CA -0.447 55.584 55.803 0.380 0.000 0.909 464 Q CB 0.878 29.805 28.738 0.316 0.000 1.236 464 Q HN 0.209 nan 8.270 nan 0.000 0.444 465 E N 3.394 123.779 120.200 0.309 0.000 2.398 465 E HA 0.254 4.609 4.350 0.009 0.000 0.263 465 E C -0.518 176.224 176.600 0.237 0.000 1.046 465 E CA 0.321 56.859 56.400 0.231 0.000 0.908 465 E CB 0.789 30.597 29.700 0.181 0.000 0.963 465 E HN 0.600 nan 8.360 nan 0.000 0.431 466 M N 1.493 121.236 119.600 0.238 0.000 2.518 466 M HA 0.385 4.870 4.480 0.009 0.000 0.300 466 M C -1.157 175.258 176.300 0.192 0.000 1.175 466 M CA -1.036 54.407 55.300 0.239 0.000 0.890 466 M CB 2.313 35.103 32.600 0.318 0.000 1.710 466 M HN 0.148 nan 8.290 nan 0.000 0.453 467 V N 1.472 121.508 119.914 0.204 0.000 2.435 467 V HA 0.412 4.537 4.120 0.009 0.000 0.290 467 V C -0.542 175.676 176.094 0.208 0.000 1.030 467 V CA -0.715 61.738 62.300 0.254 0.000 0.881 467 V CB 1.582 33.619 31.823 0.357 0.000 0.983 467 V HN 0.874 nan 8.190 nan 0.000 0.445 468 N N 3.298 122.116 118.700 0.197 0.000 2.392 468 N HA 0.682 5.427 4.740 0.009 0.000 0.283 468 N C -1.742 173.866 175.510 0.164 0.000 1.003 468 N CA -0.410 52.669 53.050 0.049 0.000 0.892 468 N CB 1.665 40.186 38.487 0.057 0.000 1.193 468 N HN 0.750 nan 8.380 nan 0.000 0.487 469 Y N 0.863 121.183 120.300 0.034 0.000 2.641 469 Y HA 0.463 5.018 4.550 0.009 0.000 0.333 469 Y C -1.405 174.499 175.900 0.007 0.000 1.174 469 Y CA -1.154 56.960 58.100 0.024 0.000 1.057 469 Y CB 0.606 39.085 38.460 0.031 0.000 1.322 469 Y HN 0.188 nan 8.280 nan 0.000 0.457 470 I N 3.921 124.583 120.570 0.153 0.000 2.304 470 I HA 0.382 4.557 4.170 0.009 0.000 0.291 470 I C -0.588 175.593 176.117 0.107 0.000 1.018 470 I CA -0.399 60.936 61.300 0.058 0.000 1.260 470 I CB 0.782 38.804 38.000 0.037 0.000 1.390 470 I HN 0.450 nan 8.210 nan 0.000 0.475 471 L N 5.016 126.269 121.223 0.051 0.000 2.322 471 L HA 0.565 4.910 4.340 0.009 0.000 0.269 471 L C 0.077 176.943 176.870 -0.005 0.000 1.012 471 L CA -0.530 54.343 54.840 0.055 0.000 0.815 471 L CB 1.974 44.067 42.059 0.056 0.000 1.295 471 L HN 0.511 nan 8.230 nan 0.000 0.438 472 S N 1.085 116.793 115.700 0.012 0.000 2.513 472 S HA 0.629 5.105 4.470 0.009 0.000 0.299 472 S C -2.582 172.033 174.600 0.024 0.000 1.087 472 S CA -1.462 56.733 58.200 -0.008 0.000 1.012 472 S CB 1.848 65.062 63.200 0.022 0.000 1.044 472 S HN 0.228 nan 8.310 nan 0.000 0.485 473 P HA 0.364 nan 4.420 nan 0.000 0.267 473 P C -1.364 175.799 177.300 -0.228 0.000 1.201 473 P CA -0.006 63.003 63.100 -0.152 0.000 0.775 473 P CB 0.483 32.048 31.700 -0.225 0.000 0.854 474 A N 1.601 124.247 122.820 -0.291 0.000 2.594 474 A HA 0.673 4.998 4.320 0.009 0.000 0.295 474 A C -1.415 175.919 177.584 -0.416 0.000 1.071 474 A CA -0.508 51.352 52.037 -0.296 0.000 0.685 474 A CB 0.740 19.655 19.000 -0.142 0.000 1.285 474 A HN 0.284 nan 8.150 nan 0.000 0.405 475 F N 1.215 121.080 119.950 -0.142 0.000 2.396 475 F HA 0.599 5.130 4.527 0.008 0.000 0.343 475 F C 1.153 176.850 175.800 -0.171 0.000 1.104 475 F CA 0.257 58.176 58.000 -0.135 0.000 1.161 475 F CB 1.240 40.138 39.000 -0.170 0.000 1.146 475 F HN 0.477 nan 8.300 nan 0.000 0.522 476 R N 1.785 122.313 120.500 0.048 0.000 2.740 476 R HA 0.412 4.758 4.340 0.009 0.000 0.282 476 R C -1.273 174.990 176.300 -0.060 0.000 0.969 476 R CA -1.208 54.858 56.100 -0.057 0.000 0.918 476 R CB 1.649 31.953 30.300 0.006 0.000 1.175 476 R HN 0.435 nan 8.270 nan 0.000 0.464 477 Y N 1.533 121.860 120.300 0.045 0.000 2.457 477 Y HA 0.013 4.568 4.550 0.009 0.000 0.341 477 Y C 0.853 176.758 175.900 0.009 0.000 1.240 477 Y CA 0.206 58.321 58.100 0.025 0.000 1.437 477 Y CB 0.500 38.962 38.460 0.003 0.000 1.328 477 Y HN 0.426 nan 8.280 nan 0.000 0.588 478 Q N 2.362 122.261 119.800 0.165 0.000 2.421 478 Q HA 0.631 4.976 4.340 0.009 0.000 0.280 478 Q C -2.985 172.997 176.000 -0.030 0.000 1.085 478 Q CA -2.351 53.484 55.803 0.052 0.000 0.807 478 Q CB 2.063 30.823 28.738 0.037 0.000 1.405 478 Q HN 0.346 nan 8.270 nan 0.000 0.419 479 P HA 0.113 nan 4.420 nan 0.000 0.272 479 P C -0.832 176.272 177.300 -0.326 0.000 1.230 479 P CA -0.128 62.858 63.100 -0.191 0.000 0.788 479 P CB 0.477 32.072 31.700 -0.175 0.000 0.949 480 D N 2.405 122.481 120.400 -0.540 0.000 2.389 480 D HA 0.046 4.691 4.640 0.009 0.000 0.247 480 D C -1.054 174.636 176.300 -1.015 0.000 1.128 480 D CA -1.135 52.269 54.000 -0.994 0.000 0.884 480 D CB 0.535 40.343 40.800 -1.653 0.000 1.194 480 D HN 0.282 nan 8.370 nan 0.000 0.441 481 P HA -0.051 nan 4.420 nan 0.000 0.226 481 P C 0.189 177.178 177.300 -0.518 0.000 1.153 481 P CA 0.668 63.404 63.100 -0.606 0.000 0.777 481 P CB 0.086 31.443 31.700 -0.571 0.000 0.794 482 W N 0.000 120.927 121.300 -0.622 0.000 2.388 482 W HA 0.000 4.665 4.660 0.008 0.000 0.303 482 W CA 0.000 57.108 57.345 -0.395 0.000 1.226 482 W CB 0.000 29.191 29.460 -0.449 0.000 1.126 482 W HN 0.000 nan 8.180 nan 0.000 0.535