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 1jdw_1_A DATA FIRST_RESID 64 DATA SEQUENCE CPVSSYNEWD PLEEVIVGRA ENACVPPFTI EVKANTYEKY WPFYQKQGGH DATA SEQUENCE YFPKDHLKKA VAEIEEMCNI LKTEGVTVRR PDPIDWSLKY KTPDFESTGL DATA SEQUENCE YSAMPRDILI VVGNEIIEAP MAWRSRFFEY RAYRSIIKDY FHRGAKWTTA DATA SEQUENCE PKPTMADELY NQDYPIHSVE DRHKLAAQGK FVTTEFEPCF DAADFIRAGR DATA SEQUENCE DIFAQRSQVT NYLGIEWMRR HLAPDYRVHI ISFKDPNPMH IDATFNIIGP DATA SEQUENCE GIVLSNPDRP CHQIDLFKKA GWTIITPPTP IIPDDHPLWM SSKWLSMNVL DATA SEQUENCE MLDEKRVMVD ANEVPIQKMF EKLGITTIKV NIRNANSLGG GFHCWTCDVR DATA SEQUENCE RRGTLQSYLD 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 64 C HA 0.000 nan 4.460 nan 0.000 0.325 64 C C 0.000 174.957 174.990 -0.055 0.000 1.270 64 C CA 0.000 59.002 59.018 -0.027 0.000 1.963 64 C CB 0.000 27.722 27.740 -0.030 0.000 2.134 65 P HA -0.059 nan 4.420 nan 0.000 0.223 65 P C -1.537 175.592 177.300 -0.286 0.000 1.151 65 P CA 1.029 64.050 63.100 -0.131 0.000 0.787 65 P CB 0.487 32.154 31.700 -0.055 0.000 0.788 66 V N 0.196 119.936 119.914 -0.290 0.000 2.370 66 V HA 0.279 nan 4.120 nan 0.000 0.279 66 V C -1.043 174.921 176.094 -0.217 0.000 1.029 66 V CA -0.650 61.458 62.300 -0.320 0.000 0.870 66 V CB -0.004 31.635 31.823 -0.306 0.000 0.984 66 V HN -0.744 7.293 8.190 -0.202 0.032 0.451 67 S N 7.893 123.449 115.700 -0.240 0.000 2.333 67 S HA 0.159 nan 4.470 nan 0.000 0.250 67 S C -2.450 171.949 174.600 -0.336 0.000 0.959 67 S CA 1.024 59.052 58.200 -0.286 0.000 1.037 67 S CB 1.472 64.577 63.200 -0.158 0.000 1.215 67 S HN 0.789 8.950 8.310 -0.249 0.000 0.410 68 S N 6.883 122.294 115.700 -0.482 0.000 2.668 68 S HA 0.360 nan 4.470 nan 0.000 0.277 68 S C -1.500 172.828 174.600 -0.452 0.000 1.170 68 S CA -0.132 57.851 58.200 -0.362 0.000 0.994 68 S CB 1.650 64.720 63.200 -0.216 0.000 1.051 68 S HN 0.067 8.042 8.310 -0.558 0.000 0.484 69 Y N 5.369 125.640 120.300 -0.048 0.000 2.444 69 Y HA 0.152 nan 4.550 nan 0.000 0.249 69 Y C -1.451 174.409 175.900 -0.066 0.000 1.134 69 Y CA 0.016 58.124 58.100 0.013 0.000 1.261 69 Y CB 1.200 39.709 38.460 0.082 0.000 1.143 69 Y HN 0.715 8.969 8.280 -0.042 0.000 0.523 70 N N -3.900 114.711 118.700 -0.148 0.000 3.364 70 N HA 0.122 nan 4.740 nan 0.000 0.294 70 N C -0.671 174.573 175.510 -0.444 0.000 1.562 70 N CA -0.701 52.069 53.050 -0.468 0.000 0.862 70 N CB 1.156 38.883 38.487 -1.267 0.000 1.691 70 N HN -0.916 7.364 8.380 -0.167 0.000 0.572 71 E N -3.040 116.885 120.200 -0.458 0.000 2.465 71 E HA 0.052 nan 4.350 nan 0.000 0.191 71 E C -0.706 175.949 176.600 0.091 0.000 1.053 71 E CA 0.852 57.246 56.400 -0.010 0.000 0.869 71 E CB -0.209 29.647 29.700 0.260 0.000 0.977 71 E HN 0.161 8.097 8.360 -0.706 0.000 0.483 72 W N -5.775 115.538 121.300 0.021 0.000 2.340 72 W HA 0.230 nan 4.660 nan 0.000 0.250 72 W C -1.440 175.076 176.519 -0.005 0.000 0.952 72 W CA -1.111 56.224 57.345 -0.016 0.000 1.219 72 W CB 0.605 30.020 29.460 -0.074 0.000 0.921 72 W HN -0.498 7.329 8.180 -0.944 -0.213 0.603 73 D N 2.476 122.766 120.400 -0.183 0.000 2.390 73 D HA 0.098 nan 4.640 nan 0.000 0.236 73 D C -1.482 174.836 176.300 0.030 0.000 1.189 73 D CA 0.461 54.460 54.000 -0.001 0.000 0.887 73 D CB -0.126 40.645 40.800 -0.048 0.000 1.198 73 D HN -0.346 7.998 8.370 -0.570 -0.316 0.444 74 P HA -0.186 nan 4.420 nan 0.000 0.255 74 P C -1.358 175.949 177.300 0.012 0.000 1.173 74 P CA 0.737 63.857 63.100 0.033 0.000 0.780 74 P CB -0.211 31.510 31.700 0.035 0.000 0.758 75 L N 6.115 127.343 121.223 0.007 0.000 2.410 75 L HA -0.094 nan 4.340 nan 0.000 0.273 75 L C -1.017 175.852 176.870 -0.002 0.000 1.144 75 L CA 0.967 55.805 54.840 -0.002 0.000 0.863 75 L CB 0.544 42.605 42.059 0.002 0.000 1.140 75 L HN 0.138 8.375 8.230 0.013 0.000 0.463 76 E N 4.630 124.825 120.200 -0.008 0.000 2.391 76 E HA 0.189 nan 4.350 nan 0.000 0.206 76 E C -0.601 176.000 176.600 0.002 0.000 0.851 76 E CA 0.578 56.976 56.400 -0.004 0.000 1.059 76 E CB 2.882 32.577 29.700 -0.007 0.000 1.065 76 E HN 0.811 9.059 8.360 -0.018 0.101 0.512 77 E N -1.577 118.619 120.200 -0.005 0.000 2.331 77 E HA 0.677 nan 4.350 nan 0.000 0.275 77 E C -2.866 173.745 176.600 0.018 0.000 0.895 77 E CA -0.720 55.689 56.400 0.015 0.000 0.753 77 E CB 4.267 33.975 29.700 0.013 0.000 1.216 77 E HN -0.573 7.775 8.360 -0.020 0.000 0.434 78 V N 4.269 124.215 119.914 0.053 0.000 3.087 78 V HA 0.714 nan 4.120 nan 0.000 0.306 78 V C -2.324 173.830 176.094 0.100 0.000 1.187 78 V CA -1.767 60.568 62.300 0.059 0.000 0.999 78 V CB 4.515 36.368 31.823 0.051 0.000 1.049 78 V HN 0.758 8.989 8.190 0.068 0.000 0.431 79 I N 5.693 126.330 120.570 0.112 0.000 2.377 79 I HA 0.592 nan 4.170 nan 0.000 0.293 79 I C -1.457 174.751 176.117 0.151 0.000 0.987 79 I CA -0.870 60.520 61.300 0.151 0.000 1.185 79 I CB 2.149 40.265 38.000 0.193 0.000 1.341 79 I HN 0.362 8.623 8.210 0.085 0.000 0.455 80 V N 6.355 126.368 119.914 0.165 0.000 2.448 80 V HA 0.570 nan 4.120 nan 0.000 0.295 80 V C 0.390 176.626 176.094 0.237 0.000 1.025 80 V CA -2.081 60.341 62.300 0.203 0.000 0.859 80 V CB 1.745 33.668 31.823 0.168 0.000 0.988 80 V HN 0.429 8.708 8.190 0.149 0.000 0.431 81 G N 6.445 115.427 108.800 0.305 0.000 2.716 81 G HA2 0.171 nan 3.960 nan 0.000 0.251 81 G HA3 0.171 nan 3.960 nan 0.000 0.251 81 G C -1.768 173.330 174.900 0.330 0.000 1.224 81 G CA 0.031 45.272 45.100 0.235 0.000 0.891 81 G HN 0.619 9.115 8.290 0.344 0.000 0.561 82 R N -0.731 119.896 120.500 0.211 0.000 2.670 82 R HA 0.329 nan 4.340 nan 0.000 0.289 82 R C -0.792 175.664 176.300 0.261 0.000 0.965 82 R CA -1.449 54.803 56.100 0.254 0.000 0.899 82 R CB 2.871 33.275 30.300 0.174 0.000 1.173 82 R HN 0.133 8.333 8.270 0.070 0.113 0.456 83 A N 1.791 124.809 122.820 0.330 0.000 2.220 83 A HA -0.002 nan 4.320 nan 0.000 0.211 83 A C -0.631 177.115 177.584 0.270 0.000 1.176 83 A CA 0.530 52.753 52.037 0.310 0.000 0.834 83 A CB 0.382 19.592 19.000 0.351 0.000 0.868 83 A HN 0.408 8.735 8.150 0.296 0.000 0.488 84 E N -1.224 119.126 120.200 0.249 0.000 2.452 84 E HA -0.255 nan 4.350 nan 0.000 0.261 84 E C -0.816 176.004 176.600 0.367 0.000 0.987 84 E CA 0.961 57.506 56.400 0.242 0.000 0.926 84 E CB -0.096 29.711 29.700 0.178 0.000 0.934 84 E HN -0.196 8.257 8.360 0.227 0.044 0.452 85 N N -2.751 116.138 118.700 0.317 0.000 2.713 85 N HA -0.422 nan 4.740 nan 0.000 0.251 85 N C -1.056 174.940 175.510 0.810 0.000 1.117 85 N CA 0.993 54.341 53.050 0.497 0.000 0.770 85 N CB -1.486 37.276 38.487 0.459 0.000 1.137 85 N HN 0.295 8.782 8.380 0.177 0.000 0.566 86 A N -1.422 121.794 122.820 0.661 0.000 2.546 86 A HA -0.073 nan 4.320 nan 0.000 0.243 86 A C -0.679 177.358 177.584 0.755 0.000 1.063 86 A CA 0.860 53.291 52.037 0.656 0.000 0.757 86 A CB 0.523 19.865 19.000 0.571 0.000 0.991 86 A HN -0.669 7.743 8.150 0.522 0.052 0.503 87 C N 5.113 124.740 119.300 0.545 0.000 2.411 87 C HA 0.682 nan 4.460 nan 0.000 0.330 87 C C -0.050 174.973 174.990 0.055 0.000 1.224 87 C CA -0.300 58.852 59.018 0.224 0.000 1.770 87 C CB 1.961 29.740 27.740 0.065 0.000 2.297 87 C HN 0.283 8.677 8.230 0.454 0.109 0.507 88 V N 4.505 124.145 119.914 -0.458 0.000 2.529 88 V HA 0.156 nan 4.120 nan 0.000 0.292 88 V C -1.193 174.820 176.094 -0.135 0.000 1.028 88 V CA -1.724 60.194 62.300 -0.637 0.000 1.074 88 V CB -0.052 31.196 31.823 -0.958 0.000 0.958 88 V HN 0.846 8.755 8.190 -0.469 0.000 0.481 89 P HA 0.428 nan 4.420 nan 0.000 0.274 89 P C -2.569 174.738 177.300 0.012 0.000 1.231 89 P CA -2.507 60.631 63.100 0.062 0.000 0.790 89 P CB -0.487 31.274 31.700 0.103 0.000 0.951 90 P HA -0.013 nan 4.420 nan 0.000 0.267 90 P C -1.443 175.821 177.300 -0.061 0.000 1.200 90 P CA 0.131 63.195 63.100 -0.060 0.000 0.772 90 P CB 0.442 32.078 31.700 -0.108 0.000 0.855 91 F N 3.748 123.589 119.950 -0.183 0.000 2.679 91 F HA 0.008 nan 4.527 nan 0.000 0.351 91 F C -0.578 175.036 175.800 -0.310 0.000 1.279 91 F CA -0.586 57.269 58.000 -0.241 0.000 1.227 91 F CB -0.518 38.399 39.000 -0.138 0.000 1.623 91 F HN 0.241 8.621 8.300 0.133 0.000 0.666 92 T N 2.963 117.148 114.554 -0.615 0.000 2.897 92 T HA 0.274 nan 4.350 nan 0.000 0.278 92 T C 0.866 175.058 174.700 -0.847 0.000 0.981 92 T CA -2.105 59.609 62.100 -0.644 0.000 0.973 92 T CB 2.374 70.898 68.868 -0.574 0.000 1.092 92 T HN -0.135 7.713 8.240 -0.586 0.040 0.543 93 I N 1.778 121.933 120.570 -0.690 0.000 2.145 93 I HA -0.366 nan 4.170 nan 0.000 0.244 93 I C 1.179 176.921 176.117 -0.625 0.000 1.075 93 I CA 2.456 63.388 61.300 -0.614 0.000 1.332 93 I CB -0.338 37.419 38.000 -0.406 0.000 1.033 93 I HN 0.250 8.104 8.210 -0.592 0.000 0.410 94 E N -2.175 117.607 120.200 -0.697 0.000 2.204 94 E HA -0.228 nan 4.350 nan 0.000 0.194 94 E C 2.166 178.284 176.600 -0.804 0.000 0.989 94 E CA 3.057 59.093 56.400 -0.607 0.000 0.824 94 E CB -1.212 28.182 29.700 -0.510 0.000 0.756 94 E HN 0.473 8.349 8.360 -0.806 0.000 0.477 95 V N 1.607 120.872 119.914 -1.081 0.000 2.323 95 V HA -0.313 nan 4.120 nan 0.000 0.244 95 V C 2.393 178.054 176.094 -0.722 0.000 1.041 95 V CA 3.583 65.201 62.300 -1.138 0.000 1.025 95 V CB -0.675 30.504 31.823 -1.074 0.000 0.656 95 V HN -0.508 7.036 8.190 -1.043 0.020 0.451 96 K N 0.253 120.073 120.400 -0.967 0.000 2.103 96 K HA -0.350 nan 4.320 nan 0.000 0.207 96 K C 2.246 178.621 176.600 -0.375 0.000 1.048 96 K CA 3.316 59.032 56.287 -0.953 0.000 0.930 96 K CB -0.153 31.501 32.500 -1.410 0.000 0.716 96 K HN -0.034 7.507 8.250 -1.181 0.000 0.444 97 A N -3.900 118.756 122.820 -0.273 0.000 2.167 97 A HA -0.044 nan 4.320 nan 0.000 0.214 97 A C 0.419 178.050 177.584 0.078 0.000 1.151 97 A CA 1.936 53.969 52.037 -0.006 0.000 0.735 97 A CB -0.370 18.610 19.000 -0.033 0.000 0.802 97 A HN -0.224 7.668 8.150 -0.412 0.010 0.467 98 N N -4.646 114.094 118.700 0.066 0.000 2.235 98 N HA 0.199 nan 4.740 nan 0.000 0.231 98 N C -2.063 173.574 175.510 0.212 0.000 1.177 98 N CA -0.467 52.690 53.050 0.177 0.000 0.874 98 N CB 1.810 40.528 38.487 0.385 0.000 1.097 98 N HN -0.295 7.869 8.380 -0.056 0.183 0.518 99 T N -5.198 109.519 114.554 0.272 0.000 2.900 99 T HA 0.328 nan 4.350 nan 0.000 0.303 99 T C -1.165 173.827 174.700 0.485 0.000 1.142 99 T CA -1.886 60.466 62.100 0.420 0.000 1.007 99 T CB 2.830 72.020 68.868 0.537 0.000 1.156 99 T HN -0.914 7.451 8.240 0.305 0.057 0.490 100 Y N 1.898 122.464 120.300 0.444 0.000 2.425 100 Y HA -0.115 nan 4.550 nan 0.000 0.331 100 Y C 1.395 177.129 175.900 -0.276 0.000 1.157 100 Y CA 0.402 58.596 58.100 0.156 0.000 1.372 100 Y CB 0.490 39.082 38.460 0.221 0.000 1.253 100 Y HN 0.249 8.913 8.280 0.640 0.000 0.536 101 E N 5.072 124.808 120.200 -0.773 0.000 2.187 101 E HA -0.485 nan 4.350 nan 0.000 0.199 101 E C 2.184 178.414 176.600 -0.616 0.000 1.004 101 E CA 3.603 59.080 56.400 -1.539 0.000 0.813 101 E CB -0.479 28.530 29.700 -1.152 0.000 0.736 101 E HN 0.635 8.704 8.360 -0.484 0.000 0.468 102 K N -0.760 119.421 120.400 -0.365 0.000 2.160 102 K HA -0.271 nan 4.320 nan 0.000 0.206 102 K C 0.938 177.306 176.600 -0.386 0.000 1.047 102 K CA 2.437 58.478 56.287 -0.410 0.000 0.930 102 K CB -0.336 31.806 32.500 -0.598 0.000 0.720 102 K HN 0.077 8.134 8.250 -0.273 0.030 0.450 103 Y N -6.334 114.062 120.300 0.160 0.000 2.462 103 Y HA 0.124 nan 4.550 nan 0.000 0.261 103 Y C 0.798 177.025 175.900 0.545 0.000 1.146 103 Y CA 0.050 58.379 58.100 0.381 0.000 1.283 103 Y CB -0.016 38.789 38.460 0.575 0.000 1.090 103 Y HN -0.180 8.015 8.280 0.098 0.144 0.526 104 W N -0.181 121.313 121.300 0.324 0.000 2.321 104 W HA -0.138 nan 4.660 nan 0.000 0.306 104 W C -0.571 175.763 176.519 -0.308 0.000 1.217 104 W CA 2.956 60.276 57.345 -0.041 0.000 1.257 104 W CB -2.937 26.566 29.460 0.071 0.000 1.145 104 W HN -0.307 7.896 8.180 0.263 0.134 0.509 105 P HA -0.108 nan 4.420 nan 0.000 0.221 105 P C 1.098 178.398 177.300 0.000 0.000 1.150 105 P CA 2.544 65.652 63.100 0.014 0.000 0.800 105 P CB -0.557 31.176 31.700 0.055 0.000 0.787 106 F N 0.973 120.896 119.950 -0.046 0.000 2.146 106 F HA -0.362 nan 4.527 nan 0.000 0.298 106 F C 1.127 176.757 175.800 -0.282 0.000 1.096 106 F CA 3.779 61.693 58.000 -0.143 0.000 1.275 106 F CB 0.083 39.033 39.000 -0.084 0.000 1.008 106 F HN -0.550 7.816 8.300 0.325 0.129 0.480 107 Y N -1.524 118.622 120.300 -0.257 0.000 2.200 107 Y HA -0.508 nan 4.550 nan 0.000 0.290 107 Y C 2.510 178.151 175.900 -0.432 0.000 1.137 107 Y CA 4.355 62.217 58.100 -0.396 0.000 1.163 107 Y CB -0.489 37.886 38.460 -0.141 0.000 0.988 107 Y HN -0.338 8.016 8.280 0.124 0.000 0.518 108 Q N -1.647 117.925 119.800 -0.380 0.000 2.096 108 Q HA -0.343 nan 4.340 nan 0.000 0.204 108 Q C 1.701 177.593 176.000 -0.181 0.000 0.982 108 Q CA 2.797 58.447 55.803 -0.254 0.000 0.850 108 Q CB -0.121 28.473 28.738 -0.240 0.000 0.901 108 Q HN -0.097 7.823 8.270 -0.475 0.066 0.422 109 K N -2.864 117.388 120.400 -0.245 0.000 2.099 109 K HA -0.020 nan 4.320 nan 0.000 0.203 109 K C 1.553 177.935 176.600 -0.363 0.000 1.047 109 K CA 1.545 57.684 56.287 -0.246 0.000 0.963 109 K CB 0.421 32.796 32.500 -0.208 0.000 0.759 109 K HN -0.468 7.519 8.250 -0.276 0.097 0.451 110 Q N -3.179 116.266 119.800 -0.592 0.000 2.403 110 Q HA 0.062 nan 4.340 nan 0.000 0.203 110 Q C 0.861 176.615 176.000 -0.409 0.000 0.932 110 Q CA -0.948 54.429 55.803 -0.709 0.000 0.945 110 Q CB 0.355 28.362 28.738 -1.220 0.000 1.045 110 Q HN 0.269 8.005 8.270 -0.703 0.112 0.511 111 G N -1.487 107.142 108.800 -0.285 0.000 2.178 111 G HA2 -0.338 nan 3.960 nan 0.000 0.244 111 G HA3 -0.338 nan 3.960 nan 0.000 0.244 111 G C 0.033 174.893 174.900 -0.067 0.000 1.213 111 G CA 1.216 46.232 45.100 -0.140 0.000 0.912 111 G HN -0.363 7.690 8.290 -0.305 0.054 0.474 112 G N 5.815 114.535 108.800 -0.134 0.000 2.225 112 G HA2 -0.396 nan 3.960 nan 0.000 0.254 112 G HA3 -0.396 nan 3.960 nan 0.000 0.254 112 G C -0.608 174.103 174.900 -0.316 0.000 0.988 112 G CA 0.356 45.335 45.100 -0.201 0.000 0.625 112 G HN 0.703 8.788 8.290 -0.151 0.115 0.527 113 H N 0.107 118.992 119.070 -0.309 0.000 2.517 113 H HA 0.262 nan 4.556 nan 0.000 0.346 113 H C -0.944 174.188 175.328 -0.326 0.000 1.222 113 H CA -0.721 55.142 56.048 -0.308 0.000 1.314 113 H CB 1.493 31.116 29.762 -0.232 0.000 1.609 113 H HN -0.091 8.095 8.280 -0.033 0.073 0.571 114 Y N -2.637 117.706 120.300 0.071 0.000 2.397 114 Y HA -0.082 nan 4.550 nan 0.000 0.335 114 Y C 0.201 176.110 175.900 0.014 0.000 1.213 114 Y CA 0.949 59.104 58.100 0.092 0.000 1.391 114 Y CB 0.392 38.941 38.460 0.150 0.000 1.293 114 Y HN 0.081 8.400 8.280 0.066 0.000 0.557 115 F N 4.348 124.420 119.950 0.204 0.000 2.539 115 F HA -0.063 nan 4.527 nan 0.000 0.340 115 F C -1.037 174.823 175.800 0.100 0.000 1.185 115 F CA 0.150 58.159 58.000 0.014 0.000 1.333 115 F CB -0.237 38.734 39.000 -0.047 0.000 1.152 115 F HN -0.007 8.660 8.300 0.611 0.000 0.602 116 P HA -0.063 nan 4.420 nan 0.000 0.255 116 P C -0.123 177.357 177.300 0.299 0.000 1.161 116 P CA 0.364 63.623 63.100 0.264 0.000 0.768 116 P CB 0.004 31.895 31.700 0.318 0.000 0.746 117 K N 4.648 125.182 120.400 0.223 0.000 2.152 117 K HA -0.405 nan 4.320 nan 0.000 0.206 117 K C 1.311 178.016 176.600 0.175 0.000 1.048 117 K CA 4.134 60.528 56.287 0.177 0.000 0.933 117 K CB -0.477 32.082 32.500 0.098 0.000 0.721 117 K HN 0.658 9.025 8.250 0.196 0.000 0.447 118 D N -3.736 116.773 120.400 0.181 0.000 2.144 118 D HA -0.233 nan 4.640 nan 0.000 0.200 118 D C 1.938 178.348 176.300 0.184 0.000 0.978 118 D CA 3.090 57.180 54.000 0.150 0.000 0.833 118 D CB -1.019 39.860 40.800 0.131 0.000 0.961 118 D HN 0.455 8.916 8.370 0.186 0.021 0.470 119 H N 1.626 120.808 119.070 0.188 0.000 2.357 119 H HA -0.135 nan 4.556 nan 0.000 0.301 119 H C 2.326 177.775 175.328 0.201 0.000 1.082 119 H CA 2.975 59.156 56.048 0.220 0.000 1.342 119 H CB 0.523 30.508 29.762 0.372 0.000 1.389 119 H HN -0.849 7.567 8.280 0.391 0.099 0.511 120 L N -1.355 120.105 121.223 0.396 0.000 2.083 120 L HA -0.457 nan 4.340 nan 0.000 0.209 120 L C 1.687 178.665 176.870 0.179 0.000 1.083 120 L CA 3.130 58.150 54.840 0.299 0.000 0.752 120 L CB -0.363 41.856 42.059 0.268 0.000 0.899 120 L HN 0.146 8.539 8.230 0.393 0.073 0.433 121 K N -0.691 119.790 120.400 0.134 0.000 2.057 121 K HA -0.402 nan 4.320 nan 0.000 0.207 121 K C 2.288 178.911 176.600 0.038 0.000 1.049 121 K CA 3.647 59.979 56.287 0.074 0.000 0.931 121 K CB -0.288 32.248 32.500 0.060 0.000 0.714 121 K HN -0.190 8.143 8.250 0.155 0.011 0.440 122 K N -1.436 118.975 120.400 0.019 0.000 2.057 122 K HA -0.290 nan 4.320 nan 0.000 0.206 122 K C 2.273 178.846 176.600 -0.046 0.000 1.050 122 K CA 3.003 59.267 56.287 -0.038 0.000 0.935 122 K CB -0.152 32.284 32.500 -0.107 0.000 0.715 122 K HN -0.757 7.516 8.250 0.040 0.000 0.439 123 A N -0.162 122.657 122.820 -0.001 0.000 1.902 123 A HA -0.207 nan 4.320 nan 0.000 0.217 123 A C 2.121 179.659 177.584 -0.077 0.000 1.181 123 A CA 3.190 55.210 52.037 -0.028 0.000 0.623 123 A CB -0.777 18.295 19.000 0.120 0.000 0.818 123 A HN -0.370 7.814 8.150 0.057 0.000 0.443 124 V N -0.804 119.111 119.914 0.002 0.000 2.287 124 V HA -0.528 nan 4.120 nan 0.000 0.248 124 V C 1.954 178.025 176.094 -0.039 0.000 1.053 124 V CA 4.433 66.733 62.300 0.000 0.000 1.027 124 V CB -1.223 30.624 31.823 0.040 0.000 0.646 124 V HN 0.250 8.471 8.190 0.051 0.000 0.447 125 A N -1.860 120.939 122.820 -0.036 0.000 1.877 125 A HA -0.395 nan 4.320 nan 0.000 0.216 125 A C 2.090 179.632 177.584 -0.070 0.000 1.186 125 A CA 3.490 55.502 52.037 -0.042 0.000 0.620 125 A CB -0.846 18.134 19.000 -0.034 0.000 0.822 125 A HN -0.220 7.917 8.150 -0.022 0.000 0.443 126 E N -0.959 119.178 120.200 -0.104 0.000 2.077 126 E HA -0.351 nan 4.350 nan 0.000 0.193 126 E C 2.658 179.157 176.600 -0.167 0.000 0.989 126 E CA 2.974 59.293 56.400 -0.135 0.000 0.800 126 E CB -0.082 29.510 29.700 -0.180 0.000 0.746 126 E HN -0.352 7.946 8.360 -0.102 0.000 0.452 127 I N -0.850 119.578 120.570 -0.236 0.000 2.315 127 I HA -0.363 nan 4.170 nan 0.000 0.248 127 I C 2.242 178.298 176.117 -0.101 0.000 1.117 127 I CA 2.330 63.482 61.300 -0.248 0.000 1.404 127 I CB -1.380 36.402 38.000 -0.363 0.000 1.071 127 I HN 0.254 8.319 8.210 -0.242 0.000 0.419 128 E N -0.425 119.735 120.200 -0.067 0.000 2.110 128 E HA -0.355 nan 4.350 nan 0.000 0.193 128 E C 2.794 179.378 176.600 -0.026 0.000 0.988 128 E CA 3.090 59.473 56.400 -0.029 0.000 0.804 128 E CB -0.804 28.884 29.700 -0.019 0.000 0.745 128 E HN -0.063 8.252 8.360 -0.076 0.000 0.458 129 E N 0.159 120.337 120.200 -0.037 0.000 2.072 129 E HA -0.219 nan 4.350 nan 0.000 0.191 129 E C 2.139 178.728 176.600 -0.019 0.000 0.985 129 E CA 2.197 58.581 56.400 -0.027 0.000 0.801 129 E CB -0.499 29.182 29.700 -0.032 0.000 0.750 129 E HN -0.547 7.776 8.360 -0.051 0.006 0.452 130 M N 0.264 119.852 119.600 -0.019 0.000 2.108 130 M HA -0.405 nan 4.480 nan 0.000 0.261 130 M C 1.975 178.282 176.300 0.011 0.000 1.066 130 M CA 3.986 59.294 55.300 0.012 0.000 1.107 130 M CB 0.012 32.632 32.600 0.033 0.000 1.356 130 M HN -0.255 7.939 8.290 -0.043 0.071 0.406 131 C N -1.232 118.072 119.300 0.007 0.000 2.429 131 C HA -0.420 nan 4.460 nan 0.000 0.277 131 C C 2.121 177.116 174.990 0.008 0.000 1.262 131 C CA 4.165 63.194 59.018 0.017 0.000 1.733 131 C CB -2.148 25.605 27.740 0.022 0.000 2.010 131 C HN 0.307 8.461 8.230 -0.006 0.072 0.483 132 N N 0.576 119.275 118.700 -0.001 0.000 2.069 132 N HA -0.277 nan 4.740 nan 0.000 0.191 132 N C 2.067 177.572 175.510 -0.009 0.000 1.031 132 N CA 3.163 56.210 53.050 -0.004 0.000 0.852 132 N CB -0.641 37.840 38.487 -0.009 0.000 1.018 132 N HN -0.324 7.978 8.380 -0.004 0.076 0.423 133 I N 0.458 121.019 120.570 -0.014 0.000 2.226 133 I HA -0.511 nan 4.170 nan 0.000 0.245 133 I C 1.658 177.761 176.117 -0.024 0.000 1.100 133 I CA 4.189 65.474 61.300 -0.025 0.000 1.374 133 I CB -0.154 37.822 38.000 -0.039 0.000 1.057 133 I HN 0.028 8.230 8.210 -0.013 0.000 0.413 134 L N -0.866 120.349 121.223 -0.013 0.000 2.042 134 L HA -0.516 nan 4.340 nan 0.000 0.210 134 L C 2.082 178.951 176.870 -0.002 0.000 1.076 134 L CA 3.576 58.412 54.840 -0.006 0.000 0.749 134 L CB -0.571 41.497 42.059 0.014 0.000 0.893 134 L HN -0.001 8.156 8.230 -0.006 0.070 0.432 135 K N -1.254 119.147 120.400 0.002 0.000 2.097 135 K HA -0.315 nan 4.320 nan 0.000 0.206 135 K C 3.117 179.716 176.600 -0.002 0.000 1.049 135 K CA 3.687 59.976 56.287 0.004 0.000 0.933 135 K CB -0.382 32.121 32.500 0.006 0.000 0.717 135 K HN 0.015 8.267 8.250 0.003 0.000 0.442 136 T N 2.113 116.662 114.554 -0.008 0.000 2.788 136 T HA -0.170 nan 4.350 nan 0.000 0.268 136 T C 1.447 176.139 174.700 -0.014 0.000 1.044 136 T CA 3.492 65.585 62.100 -0.012 0.000 1.139 136 T CB -0.416 68.442 68.868 -0.017 0.000 0.867 136 T HN -0.045 8.103 8.240 -0.010 0.086 0.454 137 E N -1.709 118.480 120.200 -0.018 0.000 2.463 137 E HA 0.097 nan 4.350 nan 0.000 0.191 137 E C 0.581 177.174 176.600 -0.012 0.000 1.083 137 E CA -0.756 55.632 56.400 -0.021 0.000 0.872 137 E CB -0.461 29.220 29.700 -0.032 0.000 0.966 137 E HN -0.219 8.015 8.360 -0.019 0.114 0.491 138 G N -1.506 107.291 108.800 -0.006 0.000 2.147 138 G HA2 -0.462 nan 3.960 nan 0.000 0.244 138 G HA3 -0.462 nan 3.960 nan 0.000 0.244 138 G C -0.835 174.067 174.900 0.004 0.000 1.005 138 G CA 0.620 45.720 45.100 -0.000 0.000 0.713 138 G HN -0.277 7.802 8.290 -0.006 0.207 0.515 139 V N 0.169 120.087 119.914 0.006 0.000 2.427 139 V HA 0.174 nan 4.120 nan 0.000 0.286 139 V C 0.039 176.146 176.094 0.021 0.000 1.034 139 V CA -0.931 61.377 62.300 0.012 0.000 0.893 139 V CB 0.685 32.515 31.823 0.012 0.000 0.982 139 V HN -0.384 7.808 8.190 0.003 0.000 0.452 140 T N 9.400 123.971 114.554 0.028 0.000 2.814 140 T HA 0.126 nan 4.350 nan 0.000 0.297 140 T C -1.188 173.544 174.700 0.053 0.000 0.956 140 T CA 0.792 62.916 62.100 0.040 0.000 1.123 140 T CB 0.209 69.107 68.868 0.050 0.000 0.902 140 T HN 0.479 8.632 8.240 0.025 0.102 0.528 141 V N 5.084 125.029 119.914 0.052 0.000 2.459 141 V HA 0.573 nan 4.120 nan 0.000 0.295 141 V C -0.314 175.820 176.094 0.067 0.000 1.029 141 V CA -1.163 61.175 62.300 0.062 0.000 0.874 141 V CB 0.995 32.849 31.823 0.052 0.000 0.985 141 V HN 0.332 8.548 8.190 0.043 0.000 0.438 142 R N 6.184 126.736 120.500 0.086 0.000 2.711 142 R HA 0.470 nan 4.340 nan 0.000 0.284 142 R C -1.637 174.709 176.300 0.077 0.000 0.968 142 R CA -2.491 53.652 56.100 0.071 0.000 0.924 142 R CB 2.853 33.202 30.300 0.082 0.000 1.162 142 R HN 0.539 8.871 8.270 0.102 0.000 0.465 143 R N 1.362 121.891 120.500 0.048 0.000 2.750 143 R HA 0.590 nan 4.340 nan 0.000 0.281 143 R C -1.894 174.403 176.300 -0.005 0.000 0.972 143 R CA -3.905 52.224 56.100 0.048 0.000 0.912 143 R CB 0.282 30.608 30.300 0.044 0.000 1.187 143 R HN 0.297 8.581 8.270 0.024 0.000 0.464 144 P HA 0.054 nan 4.420 nan 0.000 0.273 144 P C -1.074 176.159 177.300 -0.112 0.000 1.250 144 P CA -0.800 62.166 63.100 -0.223 0.000 0.793 144 P CB 0.763 32.122 31.700 -0.568 0.000 1.011 145 D N 0.675 121.006 120.400 -0.116 0.000 2.341 145 D HA 0.171 nan 4.640 nan 0.000 0.245 145 D C -1.620 174.659 176.300 -0.034 0.000 1.106 145 D CA -1.348 52.614 54.000 -0.063 0.000 0.905 145 D CB -0.627 40.131 40.800 -0.070 0.000 1.202 145 D HN -0.092 8.078 8.370 -0.164 0.102 0.426 146 P HA 0.075 nan 4.420 nan 0.000 0.276 146 P C -1.240 176.016 177.300 -0.073 0.000 1.243 146 P CA -0.006 63.098 63.100 0.007 0.000 0.768 146 P CB 0.723 32.427 31.700 0.005 0.000 0.856 147 I N 2.604 123.095 120.570 -0.132 0.000 2.722 147 I HA 0.044 nan 4.170 nan 0.000 0.295 147 I C -1.784 174.036 176.117 -0.495 0.000 1.161 147 I CA -1.083 59.974 61.300 -0.405 0.000 1.032 147 I CB 4.503 42.049 38.000 -0.756 0.000 1.244 147 I HN -0.111 8.097 8.210 -0.003 0.000 0.421 148 D N 4.986 125.169 120.400 -0.363 0.000 2.352 148 D HA -0.003 nan 4.640 nan 0.000 0.245 148 D C 0.277 176.413 176.300 -0.273 0.000 1.224 148 D CA -0.959 52.950 54.000 -0.153 0.000 0.879 148 D CB -0.278 40.515 40.800 -0.013 0.000 1.057 148 D HN 0.195 8.375 8.370 -0.316 0.000 0.491 149 W N 5.099 126.521 121.300 0.203 0.000 3.077 149 W HA -0.114 nan 4.660 nan 0.000 0.245 149 W C 0.340 176.912 176.519 0.088 0.000 1.316 149 W CA 0.968 58.416 57.345 0.172 0.000 1.537 149 W CB -0.372 29.221 29.460 0.221 0.000 1.131 149 W HN 0.161 8.488 8.180 0.244 0.000 0.695 150 S N -1.148 114.625 115.700 0.122 0.000 2.522 150 S HA -0.199 nan 4.470 nan 0.000 0.227 150 S C 0.262 174.841 174.600 -0.035 0.000 0.986 150 S CA 1.913 60.074 58.200 -0.066 0.000 0.929 150 S CB -0.025 62.995 63.200 -0.300 0.000 0.769 150 S HN -0.429 8.208 8.310 0.137 -0.245 0.529 151 L N 2.356 123.586 121.223 0.012 0.000 2.578 151 L HA -0.130 nan 4.340 nan 0.000 0.279 151 L C -1.705 175.181 176.870 0.027 0.000 1.227 151 L CA 0.300 55.144 54.840 0.006 0.000 0.900 151 L CB 1.047 43.105 42.059 -0.002 0.000 1.144 151 L HN -0.947 7.252 8.230 0.021 0.043 0.496 152 K N 6.484 126.859 120.400 -0.042 0.000 2.234 152 K HA 0.238 nan 4.320 nan 0.000 0.277 152 K C -0.844 175.723 176.600 -0.056 0.000 1.038 152 K CA -0.929 55.281 56.287 -0.127 0.000 0.888 152 K CB 0.674 33.096 32.500 -0.130 0.000 1.091 152 K HN -0.183 8.039 8.250 -0.048 0.000 0.467 153 Y N 3.906 124.207 120.300 0.002 0.000 2.602 153 Y HA 0.429 nan 4.550 nan 0.000 0.330 153 Y C -2.387 173.472 175.900 -0.068 0.000 1.114 153 Y CA -2.761 55.319 58.100 -0.033 0.000 1.182 153 Y CB 2.751 41.224 38.460 0.021 0.000 1.305 153 Y HN 0.818 8.662 8.280 -0.726 0.000 0.502 154 K N 1.326 121.782 120.400 0.092 0.000 2.601 154 K HA 0.378 nan 4.320 nan 0.000 0.249 154 K C -1.289 175.209 176.600 -0.169 0.000 0.966 154 K CA -0.920 55.305 56.287 -0.103 0.000 0.827 154 K CB 2.255 34.702 32.500 -0.089 0.000 1.178 154 K HN 0.009 8.339 8.250 0.133 0.000 0.437 155 T N 2.740 117.029 114.554 -0.442 0.000 2.910 155 T HA 0.544 nan 4.350 nan 0.000 0.279 155 T C -0.725 173.808 174.700 -0.279 0.000 0.989 155 T CA -3.169 58.682 62.100 -0.416 0.000 0.968 155 T CB -0.564 67.850 68.868 -0.756 0.000 1.135 155 T HN 0.691 8.499 8.240 -0.720 0.000 0.562 156 P HA 0.071 nan 4.420 nan 0.000 0.234 156 P C -0.909 176.355 177.300 -0.060 0.000 1.167 156 P CA 1.292 64.342 63.100 -0.083 0.000 0.763 156 P CB 0.317 31.997 31.700 -0.034 0.000 0.835 157 D N -3.348 117.002 120.400 -0.083 0.000 2.423 157 D HA 0.175 nan 4.640 nan 0.000 0.212 157 D C -0.690 175.709 176.300 0.164 0.000 1.060 157 D CA 1.233 55.275 54.000 0.069 0.000 0.872 157 D CB 2.742 43.667 40.800 0.208 0.000 1.012 157 D HN -0.011 8.177 8.370 -0.200 0.062 0.503 158 F N -5.751 114.177 119.950 -0.036 0.000 2.858 158 F HA 0.347 nan 4.527 nan 0.000 0.319 158 F C -3.366 172.404 175.800 -0.050 0.000 1.166 158 F CA -1.136 56.838 58.000 -0.043 0.000 0.899 158 F CB 1.299 40.279 39.000 -0.033 0.000 1.332 158 F HN -0.810 7.211 8.300 -0.465 0.000 0.461 159 E N -0.567 119.683 120.200 0.082 0.000 2.266 159 E HA 0.731 nan 4.350 nan 0.000 0.268 159 E C -2.095 174.530 176.600 0.042 0.000 0.879 159 E CA -1.518 54.847 56.400 -0.057 0.000 0.762 159 E CB 3.078 32.733 29.700 -0.075 0.000 1.199 159 E HN -0.025 8.476 8.360 0.236 0.000 0.422 160 S N 2.423 117.985 115.700 -0.230 0.000 2.595 160 S HA 0.321 nan 4.470 nan 0.000 0.270 160 S C -2.426 171.783 174.600 -0.653 0.000 1.145 160 S CA -0.498 57.520 58.200 -0.303 0.000 0.825 160 S CB 2.624 65.793 63.200 -0.053 0.000 1.107 160 S HN 0.588 8.631 8.310 -0.444 0.000 0.461 161 T N -1.736 112.622 114.554 -0.327 0.000 2.936 161 T HA 0.804 nan 4.350 nan 0.000 0.282 161 T C -0.040 174.694 174.700 0.055 0.000 1.003 161 T CA -2.092 59.897 62.100 -0.185 0.000 1.005 161 T CB 1.879 70.681 68.868 -0.110 0.000 1.097 161 T HN -0.025 8.098 8.240 -0.195 0.000 0.532 162 G N -0.218 108.783 108.800 0.334 0.000 2.525 162 G HA2 0.450 nan 3.960 nan 0.000 0.287 162 G HA3 0.450 nan 3.960 nan 0.000 0.287 162 G C -1.773 173.325 174.900 0.330 0.000 1.350 162 G CA -0.697 44.735 45.100 0.552 0.000 1.039 162 G HN -0.032 8.446 8.290 0.313 0.000 0.513 163 L N -1.275 120.038 121.223 0.150 0.000 3.076 163 L HA 0.456 nan 4.340 nan 0.000 0.173 163 L C -1.689 174.918 176.870 -0.438 0.000 1.343 163 L CA -0.182 54.556 54.840 -0.169 0.000 0.894 163 L CB 2.615 44.446 42.059 -0.381 0.000 1.372 163 L HN -0.174 8.147 8.230 0.152 0.000 0.565 164 Y N -8.480 111.259 120.300 -0.935 0.000 2.925 164 Y HA 0.340 nan 4.550 nan 0.000 0.349 164 Y C -2.148 173.013 175.900 -1.232 0.000 1.342 164 Y CA -1.887 55.383 58.100 -1.384 0.000 1.093 164 Y CB 0.499 38.687 38.460 -0.454 0.000 1.571 164 Y HN -0.744 6.976 8.280 -0.933 0.000 0.438 165 S N -1.512 114.001 115.700 -0.310 0.000 2.668 165 S HA 0.248 nan 4.470 nan 0.000 0.244 165 S C 0.838 175.335 174.600 -0.170 0.000 1.140 165 S CA -1.630 56.527 58.200 -0.072 0.000 1.134 165 S CB 0.415 63.657 63.200 0.070 0.000 0.954 165 S HN 0.394 8.607 8.310 -0.160 0.000 0.490 166 A N 1.466 123.901 122.820 -0.642 0.000 1.970 166 A HA 0.031 nan 4.320 nan 0.000 0.216 166 A C -0.858 176.070 177.584 -1.093 0.000 1.170 166 A CA 2.325 53.683 52.037 -1.132 0.000 0.645 166 A CB 0.106 17.945 19.000 -1.935 0.000 0.816 166 A HN -0.036 7.562 8.150 -0.801 0.071 0.447 167 M N -4.499 114.674 119.600 -0.712 0.000 2.131 167 M HA 0.413 nan 4.480 nan 0.000 0.345 167 M C -2.018 174.155 176.300 -0.212 0.000 1.060 167 M CA -4.324 50.683 55.300 -0.488 0.000 1.011 167 M CB -1.072 31.273 32.600 -0.426 0.000 1.328 167 M HN -0.375 7.587 8.290 -0.546 0.000 0.396 168 P HA -0.172 nan 4.420 nan 0.000 0.218 168 P C 0.846 178.011 177.300 -0.224 0.000 1.149 168 P CA 2.327 65.339 63.100 -0.147 0.000 0.817 168 P CB -0.001 31.698 31.700 -0.001 0.000 0.785 169 R N -3.267 117.114 120.500 -0.199 0.000 2.152 169 R HA -0.277 nan 4.340 nan 0.000 0.232 169 R C 0.768 176.940 176.300 -0.212 0.000 1.117 169 R CA 2.537 58.516 56.100 -0.202 0.000 0.981 169 R CB -0.598 29.572 30.300 -0.216 0.000 0.870 169 R HN -0.618 7.523 8.270 -0.185 0.019 0.451 170 D N -2.970 117.271 120.400 -0.266 0.000 2.224 170 D HA -0.039 nan 4.640 nan 0.000 0.205 170 D C 1.026 177.223 176.300 -0.172 0.000 0.965 170 D CA 2.891 56.723 54.000 -0.280 0.000 0.852 170 D CB 0.719 41.361 40.800 -0.264 0.000 0.947 170 D HN -0.469 7.601 8.370 -0.259 0.145 0.494 171 I N -2.983 117.464 120.570 -0.205 0.000 4.032 171 I HA 0.202 nan 4.170 nan 0.000 0.313 171 I C -1.968 174.018 176.117 -0.219 0.000 1.272 171 I CA 0.332 61.505 61.300 -0.212 0.000 1.307 171 I CB 2.026 39.892 38.000 -0.224 0.000 1.155 171 I HN -0.741 7.185 8.210 -0.244 0.138 0.431 172 L N -1.776 119.301 121.223 -0.244 0.000 2.346 172 L HA 0.607 nan 4.340 nan 0.000 0.274 172 L C -1.790 175.013 176.870 -0.111 0.000 1.007 172 L CA -0.991 53.739 54.840 -0.184 0.000 0.818 172 L CB 2.511 44.427 42.059 -0.239 0.000 1.284 172 L HN -0.274 7.795 8.230 -0.269 0.000 0.424 173 I N 1.513 122.041 120.570 -0.069 0.000 2.619 173 I HA 0.379 nan 4.170 nan 0.000 0.292 173 I C -2.573 173.507 176.117 -0.062 0.000 1.100 173 I CA -1.465 59.804 61.300 -0.053 0.000 1.043 173 I CB 4.434 42.412 38.000 -0.036 0.000 1.239 173 I HN 0.124 8.298 8.210 -0.059 0.000 0.420 174 V N 8.146 128.012 119.914 -0.079 0.000 2.370 174 V HA 0.538 nan 4.120 nan 0.000 0.283 174 V C -1.524 174.484 176.094 -0.143 0.000 1.023 174 V CA -0.785 61.451 62.300 -0.108 0.000 0.857 174 V CB 0.812 32.554 31.823 -0.134 0.000 0.985 174 V HN 0.263 8.409 8.190 -0.073 0.000 0.443 175 V N 7.009 126.821 119.914 -0.170 0.000 2.325 175 V HA 0.559 nan 4.120 nan 0.000 0.280 175 V C 0.460 176.412 176.094 -0.237 0.000 1.016 175 V CA -1.658 60.482 62.300 -0.266 0.000 0.818 175 V CB -0.250 31.331 31.823 -0.403 0.000 1.019 175 V HN 0.531 8.644 8.190 -0.129 0.000 0.434 176 G N 8.408 117.017 108.800 -0.317 0.000 2.536 176 G HA2 -0.435 nan 3.960 nan 0.000 0.280 176 G HA3 -0.435 nan 3.960 nan 0.000 0.280 176 G C -0.403 174.313 174.900 -0.305 0.000 1.152 176 G CA 1.258 46.127 45.100 -0.385 0.000 0.970 176 G HN 0.585 8.644 8.290 -0.385 0.000 0.549 177 N N 5.095 123.731 118.700 -0.107 0.000 2.276 177 N HA 0.071 nan 4.740 nan 0.000 0.212 177 N C -1.712 173.785 175.510 -0.021 0.000 1.127 177 N CA -0.538 52.469 53.050 -0.071 0.000 0.834 177 N CB 0.419 38.902 38.487 -0.006 0.000 1.014 177 N HN 0.187 8.562 8.380 -0.008 0.000 0.491 178 E N 0.186 120.373 120.200 -0.021 0.000 2.176 178 E HA 0.497 nan 4.350 nan 0.000 0.267 178 E C -2.681 173.937 176.600 0.030 0.000 0.893 178 E CA -1.566 54.863 56.400 0.048 0.000 0.761 178 E CB 2.851 32.599 29.700 0.081 0.000 1.133 178 E HN -0.599 7.633 8.360 -0.068 0.087 0.409 179 I N 6.984 127.606 120.570 0.088 0.000 2.336 179 I HA 0.615 nan 4.170 nan 0.000 0.292 179 I C -2.211 173.987 176.117 0.135 0.000 0.991 179 I CA -1.068 60.272 61.300 0.065 0.000 1.227 179 I CB 2.125 40.149 38.000 0.040 0.000 1.366 179 I HN 0.632 8.932 8.210 0.151 0.000 0.466 180 I N 9.388 130.001 120.570 0.071 0.000 2.378 180 I HA 0.383 nan 4.170 nan 0.000 0.291 180 I C -1.503 174.622 176.117 0.013 0.000 0.992 180 I CA -1.088 60.255 61.300 0.072 0.000 1.154 180 I CB 1.439 39.477 38.000 0.064 0.000 1.315 180 I HN 0.889 9.112 8.210 0.021 0.000 0.448 181 E N 7.011 127.207 120.200 -0.006 0.000 2.167 181 E HA 0.373 nan 4.350 nan 0.000 0.284 181 E C -0.988 175.468 176.600 -0.241 0.000 1.016 181 E CA -1.355 54.987 56.400 -0.096 0.000 0.817 181 E CB 1.073 30.738 29.700 -0.059 0.000 1.080 181 E HN 0.480 8.858 8.360 0.031 0.000 0.397 182 A N 6.161 128.807 122.820 -0.291 0.000 2.386 182 A HA 0.149 nan 4.320 nan 0.000 0.248 182 A C -1.838 175.351 177.584 -0.659 0.000 1.082 182 A CA -1.732 49.934 52.037 -0.618 0.000 0.789 182 A CB -0.896 17.842 19.000 -0.436 0.000 1.025 182 A HN 0.757 8.671 8.150 -0.209 0.111 0.490 183 P HA -0.073 nan 4.420 nan 0.000 0.219 183 P C -0.727 176.308 177.300 -0.441 0.000 1.150 183 P CA 1.042 63.754 63.100 -0.646 0.000 0.814 183 P CB 0.398 31.698 31.700 -0.667 0.000 0.787 184 M N -4.826 114.539 119.600 -0.391 0.000 7.319 184 M HA -0.438 nan 4.480 nan 0.000 0.149 184 M C -0.865 175.381 176.300 -0.091 0.000 0.480 184 M CA 0.894 56.079 55.300 -0.192 0.000 1.311 184 M CB -1.729 30.795 32.600 -0.127 0.000 0.421 184 M HN -0.063 7.875 8.290 -0.545 0.025 0.280 185 A N -2.294 120.553 122.820 0.045 0.000 2.701 185 A HA 0.302 nan 4.320 nan 0.000 0.241 185 A C -1.794 176.037 177.584 0.413 0.000 1.231 185 A CA 0.370 52.514 52.037 0.179 0.000 1.003 185 A CB 1.731 20.837 19.000 0.176 0.000 1.281 185 A HN 0.375 8.542 8.150 0.027 0.000 0.600 186 W N -2.228 119.091 121.300 0.033 0.000 2.469 186 W HA 0.446 nan 4.660 nan 0.000 0.320 186 W C 1.201 177.712 176.519 -0.013 0.000 1.086 186 W CA -2.425 54.911 57.345 -0.015 0.000 1.211 186 W CB 0.842 30.279 29.460 -0.038 0.000 1.298 186 W HN -0.639 7.727 8.180 0.310 0.000 0.525 187 R N 4.449 124.950 120.500 0.003 0.000 2.120 187 R HA -0.380 nan 4.340 nan 0.000 0.234 187 R C 1.995 178.464 176.300 0.281 0.000 1.123 187 R CA 3.960 59.951 56.100 -0.182 0.000 0.975 187 R CB -0.183 29.697 30.300 -0.701 0.000 0.866 187 R HN 0.393 8.865 8.270 -0.165 -0.301 0.446 188 S N -2.637 113.216 115.700 0.256 0.000 2.607 188 S HA -0.153 nan 4.470 nan 0.000 0.224 188 S C 0.556 175.418 174.600 0.437 0.000 0.969 188 S CA 1.816 60.230 58.200 0.357 0.000 0.927 188 S CB -0.380 62.952 63.200 0.220 0.000 0.772 188 S HN 0.168 8.556 8.310 0.154 0.014 0.533 189 R N -1.202 119.538 120.500 0.400 0.000 2.565 189 R HA 0.145 nan 4.340 nan 0.000 0.347 189 R C 1.226 177.680 176.300 0.256 0.000 1.010 189 R CA -0.897 55.358 56.100 0.258 0.000 1.126 189 R CB -0.004 30.358 30.300 0.105 0.000 1.331 189 R HN -0.330 7.988 8.270 0.408 0.197 0.552 190 F N 3.077 123.147 119.950 0.200 0.000 2.126 190 F HA -0.350 nan 4.527 nan 0.000 0.299 190 F C -0.265 175.407 175.800 -0.213 0.000 1.096 190 F CA 4.486 62.479 58.000 -0.010 0.000 1.255 190 F CB 0.541 39.561 39.000 0.034 0.000 0.997 190 F HN -0.664 7.956 8.300 0.631 0.059 0.479 191 F N -4.935 115.098 119.950 0.137 0.000 2.668 191 F HA 0.119 nan 4.527 nan 0.000 0.297 191 F C 0.965 176.669 175.800 -0.161 0.000 1.124 191 F CA -1.109 56.760 58.000 -0.219 0.000 1.353 191 F CB -0.581 38.199 39.000 -0.366 0.000 0.992 191 F HN -0.518 7.951 8.300 0.281 0.000 0.524 192 E N 2.344 122.681 120.200 0.228 0.000 2.153 192 E HA -0.394 nan 4.350 nan 0.000 0.194 192 E C 1.540 178.362 176.600 0.370 0.000 0.988 192 E CA 3.624 60.222 56.400 0.329 0.000 0.811 192 E CB -0.182 29.608 29.700 0.151 0.000 0.746 192 E HN -0.532 7.775 8.360 0.191 0.168 0.466 193 Y N -4.216 116.262 120.300 0.297 0.000 2.384 193 Y HA -0.296 nan 4.550 nan 0.000 0.289 193 Y C 1.929 178.030 175.900 0.335 0.000 1.152 193 Y CA 1.172 59.447 58.100 0.292 0.000 1.258 193 Y CB -1.121 37.415 38.460 0.127 0.000 0.979 193 Y HN -0.151 8.258 8.280 0.255 0.023 0.549 194 R N 0.040 120.475 120.500 -0.109 0.000 2.127 194 R HA -0.426 nan 4.340 nan 0.000 0.238 194 R C 2.442 178.787 176.300 0.074 0.000 1.134 194 R CA 2.928 59.015 56.100 -0.022 0.000 0.975 194 R CB -0.605 29.589 30.300 -0.177 0.000 0.865 194 R HN -0.329 7.635 8.270 -0.441 0.041 0.447 195 A N -1.337 121.559 122.820 0.127 0.000 2.067 195 A HA -0.109 nan 4.320 nan 0.000 0.219 195 A C 0.931 178.384 177.584 -0.219 0.000 1.158 195 A CA 2.385 54.392 52.037 -0.050 0.000 0.661 195 A CB -0.305 18.699 19.000 0.007 0.000 0.801 195 A HN -0.390 7.902 8.150 0.277 0.024 0.452 196 Y N -5.389 114.980 120.300 0.114 0.000 2.449 196 Y HA 0.142 nan 4.550 nan 0.000 0.254 196 Y C 1.414 177.307 175.900 -0.012 0.000 1.140 196 Y CA 0.737 58.868 58.100 0.052 0.000 1.272 196 Y CB 0.175 38.672 38.460 0.062 0.000 1.114 196 Y HN -0.384 7.942 8.280 0.350 0.163 0.525 197 R N 0.290 120.882 120.500 0.153 0.000 2.105 197 R HA -0.346 nan 4.340 nan 0.000 0.239 197 R C 2.078 178.345 176.300 -0.054 0.000 1.135 197 R CA 3.036 59.166 56.100 0.051 0.000 0.967 197 R CB -1.067 29.330 30.300 0.162 0.000 0.861 197 R HN -0.751 7.633 8.270 0.189 0.000 0.442 198 S N -0.011 115.671 115.700 -0.030 0.000 2.359 198 S HA -0.253 nan 4.470 nan 0.000 0.224 198 S C 2.224 176.745 174.600 -0.132 0.000 1.035 198 S CA 3.695 61.861 58.200 -0.057 0.000 1.018 198 S CB -0.984 62.187 63.200 -0.049 0.000 0.876 198 S HN 0.248 8.555 8.310 -0.005 0.000 0.448 199 I N 1.662 122.134 120.570 -0.164 0.000 2.163 199 I HA -0.430 nan 4.170 nan 0.000 0.240 199 I C 1.552 177.373 176.117 -0.493 0.000 1.081 199 I CA 3.540 64.640 61.300 -0.334 0.000 1.353 199 I CB -0.048 37.827 38.000 -0.208 0.000 1.054 199 I HN -0.885 7.268 8.210 -0.095 0.000 0.407 200 I N -0.201 120.165 120.570 -0.341 0.000 2.208 200 I HA -0.664 nan 4.170 nan 0.000 0.245 200 I C 1.906 177.726 176.117 -0.496 0.000 1.097 200 I CA 4.576 65.606 61.300 -0.449 0.000 1.363 200 I CB -0.492 37.076 38.000 -0.720 0.000 1.051 200 I HN -0.222 7.854 8.210 -0.223 0.000 0.413 201 K N -1.231 118.915 120.400 -0.424 0.000 2.147 201 K HA -0.410 nan 4.320 nan 0.000 0.205 201 K C 2.229 178.916 176.600 0.146 0.000 1.049 201 K CA 3.818 60.014 56.287 -0.152 0.000 0.936 201 K CB -0.519 31.996 32.500 0.026 0.000 0.722 201 K HN 0.254 8.278 8.250 -0.375 0.000 0.446 202 D N -0.145 120.263 120.400 0.013 0.000 2.117 202 D HA -0.236 nan 4.640 nan 0.000 0.198 202 D C 2.338 178.698 176.300 0.100 0.000 0.982 202 D CA 3.166 57.194 54.000 0.046 0.000 0.828 202 D CB -0.108 40.594 40.800 -0.163 0.000 0.967 202 D HN -0.635 7.550 8.370 -0.142 0.100 0.464 203 Y N -1.654 118.670 120.300 0.039 0.000 2.242 203 Y HA -0.316 nan 4.550 nan 0.000 0.291 203 Y C 2.171 178.099 175.900 0.046 0.000 1.137 203 Y CA 1.574 59.688 58.100 0.023 0.000 1.181 203 Y CB -0.594 37.856 38.460 -0.016 0.000 0.989 203 Y HN -0.347 7.774 8.280 -0.266 0.000 0.527 204 F N 1.106 121.108 119.950 0.086 0.000 2.102 204 F HA -0.449 nan 4.527 nan 0.000 0.298 204 F C 2.284 178.106 175.800 0.036 0.000 1.105 204 F CA 3.847 61.882 58.000 0.059 0.000 1.239 204 F CB -0.069 38.961 39.000 0.049 0.000 0.991 204 F HN 0.356 8.715 8.300 0.238 0.084 0.474 205 H N -0.763 118.343 119.070 0.060 0.000 2.421 205 H HA -0.224 nan 4.556 nan 0.000 0.298 205 H C 1.453 176.740 175.328 -0.068 0.000 1.087 205 H CA 3.314 59.348 56.048 -0.023 0.000 1.330 205 H CB -0.005 29.793 29.762 0.059 0.000 1.388 205 H HN 0.005 8.399 8.280 0.190 0.000 0.526 206 R N -3.855 116.702 120.500 0.095 0.000 2.335 206 R HA 0.019 nan 4.340 nan 0.000 0.223 206 R C 0.507 176.803 176.300 -0.007 0.000 0.940 206 R CA -0.209 55.926 56.100 0.059 0.000 1.086 206 R CB 0.297 30.666 30.300 0.115 0.000 1.073 206 R HN -0.553 7.675 8.270 0.147 0.131 0.504 207 G N -3.261 105.481 108.800 -0.098 0.000 2.201 207 G HA2 -0.241 nan 3.960 nan 0.000 0.212 207 G HA3 -0.241 nan 3.960 nan 0.000 0.212 207 G C -0.424 174.430 174.900 -0.077 0.000 0.994 207 G CA -0.459 44.572 45.100 -0.115 0.000 0.644 207 G HN -0.360 7.631 8.290 -0.178 0.192 0.508 208 A N 1.086 123.898 122.820 -0.014 0.000 2.386 208 A HA 0.094 nan 4.320 nan 0.000 0.248 208 A C -0.663 177.030 177.584 0.182 0.000 1.082 208 A CA 0.038 52.113 52.037 0.063 0.000 0.789 208 A CB 0.983 20.032 19.000 0.082 0.000 1.025 208 A HN -0.239 7.914 8.150 0.005 0.000 0.490 209 K N 0.720 121.238 120.400 0.197 0.000 2.218 209 K HA 0.124 nan 4.320 nan 0.000 0.276 209 K C -1.392 175.453 176.600 0.409 0.000 1.022 209 K CA -0.316 56.149 56.287 0.298 0.000 0.946 209 K CB 1.347 33.964 32.500 0.195 0.000 1.000 209 K HN 0.205 8.530 8.250 0.124 0.000 0.468 210 W N 2.236 123.664 121.300 0.213 0.000 2.781 210 W HA 0.439 nan 4.660 nan 0.000 0.333 210 W C -1.423 175.113 176.519 0.028 0.000 1.047 210 W CA -1.915 55.491 57.345 0.103 0.000 1.236 210 W CB 1.661 31.154 29.460 0.054 0.000 1.394 210 W HN -0.009 8.472 8.180 0.501 0.000 0.466 211 T N 9.020 123.737 114.554 0.270 0.000 2.893 211 T HA 0.430 nan 4.350 nan 0.000 0.293 211 T C -1.693 172.989 174.700 -0.029 0.000 1.027 211 T CA -0.319 61.793 62.100 0.020 0.000 0.988 211 T CB 3.421 72.338 68.868 0.082 0.000 1.043 211 T HN 0.570 9.078 8.240 0.447 0.000 0.461 212 T N 0.597 115.025 114.554 -0.210 0.000 2.815 212 T HA 0.599 nan 4.350 nan 0.000 0.289 212 T C -0.301 174.159 174.700 -0.400 0.000 1.000 212 T CA -2.546 59.390 62.100 -0.273 0.000 0.958 212 T CB 0.761 69.419 68.868 -0.349 0.000 0.944 212 T HN 0.229 8.312 8.240 -0.262 0.000 0.442 213 A N 6.945 129.431 122.820 -0.556 0.000 2.466 213 A HA 0.194 nan 4.320 nan 0.000 0.238 213 A C -1.847 175.231 177.584 -0.843 0.000 1.074 213 A CA -1.191 50.193 52.037 -1.088 0.000 0.774 213 A CB -0.535 17.789 19.000 -1.127 0.000 1.015 213 A HN 0.210 8.091 8.150 -0.448 0.000 0.498 214 P HA -0.070 nan 4.420 nan 0.000 0.258 214 P C -1.442 175.579 177.300 -0.466 0.000 1.187 214 P CA 0.039 62.812 63.100 -0.544 0.000 0.767 214 P CB 0.447 31.871 31.700 -0.461 0.000 0.770 215 K N 6.051 126.213 120.400 -0.397 0.000 2.412 215 K HA 0.131 nan 4.320 nan 0.000 0.284 215 K C -1.680 174.794 176.600 -0.209 0.000 1.046 215 K CA -1.327 54.727 56.287 -0.387 0.000 0.999 215 K CB -0.307 31.935 32.500 -0.430 0.000 0.941 215 K HN 0.164 8.190 8.250 -0.373 0.000 0.474 216 P HA 0.113 nan 4.420 nan 0.000 0.274 216 P C -0.605 176.822 177.300 0.212 0.000 1.246 216 P CA -1.015 62.087 63.100 0.002 0.000 0.795 216 P CB 1.420 33.118 31.700 -0.002 0.000 1.006 217 T N -6.070 108.622 114.554 0.229 0.000 2.985 217 T HA -0.050 nan 4.350 nan 0.000 0.266 217 T C 1.308 176.254 174.700 0.412 0.000 1.076 217 T CA 0.765 63.056 62.100 0.319 0.000 1.135 217 T CB 0.502 69.532 68.868 0.270 0.000 0.890 217 T HN 0.116 8.909 8.240 0.167 -0.453 0.480 218 M N -2.238 117.540 119.600 0.296 0.000 2.576 218 M HA -0.547 nan 4.480 nan 0.000 0.200 218 M C -0.921 175.516 176.300 0.228 0.000 0.487 218 M CA 0.524 55.945 55.300 0.203 0.000 0.553 218 M CB -1.929 30.773 32.600 0.171 0.000 2.042 218 M HN -0.274 8.373 8.290 0.237 -0.214 0.758 219 A N -1.819 121.117 122.820 0.194 0.000 2.327 219 A HA -0.047 nan 4.320 nan 0.000 0.255 219 A C 0.858 178.450 177.584 0.013 0.000 1.099 219 A CA -0.126 51.983 52.037 0.120 0.000 0.801 219 A CB 0.680 19.716 19.000 0.059 0.000 1.062 219 A HN -0.758 7.504 8.150 0.224 0.022 0.496 220 D N 0.766 121.168 120.400 0.005 0.000 2.203 220 D HA -0.412 nan 4.640 nan 0.000 0.199 220 D C 2.147 178.363 176.300 -0.140 0.000 0.997 220 D CA 3.909 57.912 54.000 0.006 0.000 0.863 220 D CB -0.453 40.327 40.800 -0.034 0.000 0.928 220 D HN 0.695 9.076 8.370 0.019 0.000 0.458 221 E N -0.475 119.476 120.200 -0.414 0.000 2.265 221 E HA -0.223 nan 4.350 nan 0.000 0.196 221 E C 1.800 178.052 176.600 -0.580 0.000 0.996 221 E CA 2.338 58.328 56.400 -0.684 0.000 0.832 221 E CB -0.663 28.156 29.700 -1.468 0.000 0.756 221 E HN 0.337 8.394 8.360 -0.427 0.047 0.491 222 L N -1.685 119.230 121.223 -0.513 0.000 2.395 222 L HA -0.155 nan 4.340 nan 0.000 0.218 222 L C -1.190 175.302 176.870 -0.630 0.000 1.130 222 L CA 1.015 55.576 54.840 -0.465 0.000 0.826 222 L CB 0.668 42.365 42.059 -0.602 0.000 0.941 222 L HN -0.145 7.646 8.230 -0.478 0.152 0.451 223 Y N -4.002 116.230 120.300 -0.113 0.000 2.509 223 Y HA 0.263 nan 4.550 nan 0.000 0.341 223 Y C -0.622 175.211 175.900 -0.111 0.000 1.038 223 Y CA -2.012 56.013 58.100 -0.126 0.000 1.089 223 Y CB 2.313 40.673 38.460 -0.166 0.000 1.241 223 Y HN -0.378 7.615 8.280 -0.210 0.162 0.468 224 N N 3.806 122.536 118.700 0.051 0.000 2.719 224 N HA 0.111 nan 4.740 nan 0.000 0.243 224 N C 0.416 175.948 175.510 0.038 0.000 1.104 224 N CA -0.403 52.672 53.050 0.042 0.000 0.981 224 N CB -0.400 38.133 38.487 0.075 0.000 1.290 224 N HN 0.618 8.913 8.380 0.027 0.102 0.513 225 Q N 1.593 121.399 119.800 0.011 0.000 2.217 225 Q HA -0.328 nan 4.340 nan 0.000 0.209 225 Q C -0.079 175.901 176.000 -0.034 0.000 0.988 225 Q CA 2.755 58.536 55.803 -0.037 0.000 0.878 225 Q CB -0.256 28.458 28.738 -0.041 0.000 0.909 225 Q HN -0.291 7.987 8.270 0.014 0.000 0.424 226 D N -6.279 114.125 120.400 0.008 0.000 2.615 226 D HA 0.061 nan 4.640 nan 0.000 0.236 226 D C -0.577 175.747 176.300 0.041 0.000 1.233 226 D CA -2.197 51.808 54.000 0.008 0.000 0.829 226 D CB -1.175 39.631 40.800 0.009 0.000 1.024 226 D HN -0.298 8.052 8.370 0.024 0.034 0.490 227 Y N 4.012 124.251 120.300 -0.101 0.000 2.770 227 Y HA -0.094 nan 4.550 nan 0.000 0.342 227 Y C -0.682 175.124 175.900 -0.156 0.000 1.221 227 Y CA -2.213 55.824 58.100 -0.104 0.000 1.560 227 Y CB 0.131 38.523 38.460 -0.112 0.000 1.213 227 Y HN -0.351 7.929 8.280 0.129 0.077 0.525 228 P HA -0.070 nan 4.420 nan 0.000 0.237 228 P C -1.953 175.022 177.300 -0.542 0.000 1.701 228 P CA 0.113 63.001 63.100 -0.355 0.000 0.955 228 P CB -1.927 29.683 31.700 -0.150 0.000 1.937 229 I N 0.663 120.854 120.570 -0.631 0.000 2.336 229 I HA 0.066 nan 4.170 nan 0.000 0.292 229 I C -1.939 173.926 176.117 -0.421 0.000 0.991 229 I CA -1.534 59.529 61.300 -0.396 0.000 1.227 229 I CB 1.658 39.554 38.000 -0.172 0.000 1.366 229 I HN -0.178 7.630 8.210 -0.556 0.069 0.466 230 H N 7.118 126.308 119.070 0.200 0.000 3.360 230 H HA 0.221 nan 4.556 nan 0.000 0.262 230 H C -1.578 173.927 175.328 0.295 0.000 1.149 230 H CA -0.565 55.666 56.048 0.306 0.000 1.181 230 H CB 1.958 31.810 29.762 0.149 0.000 1.564 230 H HN 0.128 8.662 8.280 0.093 -0.198 0.565 231 S N -3.333 112.541 115.700 0.290 0.000 2.595 231 S HA 0.067 nan 4.470 nan 0.000 0.270 231 S C -0.563 174.090 174.600 0.088 0.000 1.145 231 S CA -0.886 57.374 58.200 0.101 0.000 0.825 231 S CB 2.771 66.016 63.200 0.076 0.000 1.107 231 S HN -0.973 7.488 8.310 0.252 0.000 0.461 232 V N 2.298 122.225 119.914 0.022 0.000 2.594 232 V HA -0.333 nan 4.120 nan 0.000 0.253 232 V C 1.551 177.562 176.094 -0.138 0.000 1.069 232 V CA 3.632 65.884 62.300 -0.080 0.000 1.082 232 V CB -0.430 31.370 31.823 -0.039 0.000 0.680 232 V HN 0.633 9.149 8.190 0.005 -0.323 0.469 233 E N -1.366 118.853 120.200 0.030 0.000 2.077 233 E HA -0.434 nan 4.350 nan 0.000 0.193 233 E C 2.010 178.654 176.600 0.074 0.000 0.989 233 E CA 3.544 60.008 56.400 0.107 0.000 0.800 233 E CB -0.636 29.134 29.700 0.116 0.000 0.746 233 E HN 0.102 8.475 8.360 0.059 0.022 0.452 234 D N -0.701 119.725 120.400 0.042 0.000 2.097 234 D HA -0.242 nan 4.640 nan 0.000 0.195 234 D C 2.170 178.444 176.300 -0.044 0.000 0.989 234 D CA 3.081 57.088 54.000 0.011 0.000 0.827 234 D CB -0.550 40.258 40.800 0.013 0.000 0.966 234 D HN -0.694 7.616 8.370 0.054 0.093 0.456 235 R N -0.091 120.370 120.500 -0.066 0.000 2.096 235 R HA -0.426 nan 4.340 nan 0.000 0.240 235 R C 2.218 178.523 176.300 0.008 0.000 1.139 235 R CA 3.536 59.603 56.100 -0.055 0.000 0.952 235 R CB -0.005 30.271 30.300 -0.039 0.000 0.854 235 R HN -0.562 7.680 8.270 -0.047 0.000 0.436 236 H N -2.205 116.905 119.070 0.066 0.000 2.422 236 H HA -0.262 nan 4.556 nan 0.000 0.298 236 H C 2.449 177.801 175.328 0.040 0.000 1.098 236 H CA 2.798 58.889 56.048 0.072 0.000 1.315 236 H CB -0.083 29.734 29.762 0.091 0.000 1.382 236 H HN -0.068 8.132 8.280 -0.134 0.000 0.523 237 K N 0.099 120.580 120.400 0.135 0.000 2.031 237 K HA -0.252 nan 4.320 nan 0.000 0.205 237 K C 2.109 178.712 176.600 0.005 0.000 1.049 237 K CA 2.654 58.980 56.287 0.066 0.000 0.939 237 K CB -0.115 32.411 32.500 0.044 0.000 0.717 237 K HN -0.767 7.437 8.250 0.117 0.116 0.438 238 L N -1.192 120.004 121.223 -0.045 0.000 2.012 238 L HA -0.423 nan 4.340 nan 0.000 0.210 238 L C 2.185 178.951 176.870 -0.173 0.000 1.073 238 L CA 3.010 57.789 54.840 -0.103 0.000 0.748 238 L CB -0.372 41.586 42.059 -0.168 0.000 0.891 238 L HN 0.100 8.303 8.230 -0.046 0.000 0.431 239 A N -1.643 121.061 122.820 -0.193 0.000 1.908 239 A HA -0.356 nan 4.320 nan 0.000 0.218 239 A C 2.265 179.760 177.584 -0.149 0.000 1.181 239 A CA 3.036 54.838 52.037 -0.392 0.000 0.627 239 A CB -1.092 17.887 19.000 -0.036 0.000 0.818 239 A HN 0.512 8.616 8.150 -0.076 0.000 0.445 240 A N -2.153 120.669 122.820 0.003 0.000 2.019 240 A HA -0.217 nan 4.320 nan 0.000 0.219 240 A C 1.372 178.967 177.584 0.018 0.000 1.164 240 A CA 2.361 54.431 52.037 0.055 0.000 0.644 240 A CB -0.526 18.515 19.000 0.069 0.000 0.805 240 A HN -0.219 7.868 8.150 0.028 0.079 0.449 241 Q N -2.778 117.008 119.800 -0.023 0.000 2.451 241 Q HA -0.037 nan 4.340 nan 0.000 0.206 241 Q C 0.152 176.152 176.000 0.000 0.000 0.947 241 Q CA -0.291 55.505 55.803 -0.012 0.000 0.937 241 Q CB 0.333 29.059 28.738 -0.020 0.000 1.025 241 Q HN -0.253 7.840 8.270 -0.050 0.147 0.511 242 G N -1.523 107.251 108.800 -0.045 0.000 2.132 242 G HA2 -0.420 nan 3.960 nan 0.000 0.234 242 G HA3 -0.420 nan 3.960 nan 0.000 0.234 242 G C -1.040 173.844 174.900 -0.027 0.000 0.989 242 G CA -0.191 44.951 45.100 0.071 0.000 0.676 242 G HN -0.180 7.824 8.290 -0.119 0.214 0.522 243 K N 1.152 121.388 120.400 -0.273 0.000 2.263 243 K HA 0.337 nan 4.320 nan 0.000 0.272 243 K C -1.280 175.125 176.600 -0.326 0.000 1.033 243 K CA -1.127 55.090 56.287 -0.116 0.000 0.884 243 K CB 1.165 33.680 32.500 0.025 0.000 1.107 243 K HN -0.051 7.877 8.250 -0.317 0.132 0.460 244 F N 1.532 121.559 119.950 0.128 0.000 2.631 244 F HA 0.467 nan 4.527 nan 0.000 0.328 244 F C 0.037 175.502 175.800 -0.558 0.000 1.067 244 F CA -0.828 57.098 58.000 -0.124 0.000 0.969 244 F CB 2.470 41.422 39.000 -0.080 0.000 1.332 244 F HN -0.237 8.212 8.300 0.248 0.000 0.490 245 V N 0.108 119.585 119.914 -0.728 0.000 2.626 245 V HA -0.173 nan 4.120 nan 0.000 0.252 245 V C -0.852 175.130 176.094 -0.187 0.000 1.067 245 V CA 1.681 63.544 62.300 -0.728 0.000 1.081 245 V CB 0.354 31.820 31.823 -0.595 0.000 0.686 245 V HN 0.656 8.967 8.190 -0.497 -0.419 0.468 246 T N -4.784 109.725 114.554 -0.074 0.000 2.837 246 T HA 0.422 nan 4.350 nan 0.000 0.285 246 T C 0.166 174.856 174.700 -0.017 0.000 0.984 246 T CA -2.336 59.725 62.100 -0.064 0.000 1.049 246 T CB 1.366 70.194 68.868 -0.067 0.000 0.947 246 T HN -0.441 7.757 8.240 -0.041 0.018 0.472 247 T N 1.235 115.770 114.554 -0.031 0.000 2.865 247 T HA 0.196 nan 4.350 nan 0.000 0.302 247 T C 0.074 174.816 174.700 0.070 0.000 1.078 247 T CA -1.196 60.930 62.100 0.044 0.000 0.942 247 T CB 0.997 69.891 68.868 0.043 0.000 1.387 247 T HN 0.673 8.737 8.240 -0.104 0.113 0.557 248 E N -0.829 119.441 120.200 0.116 0.000 2.496 248 E HA 0.218 nan 4.350 nan 0.000 0.202 248 E C -0.632 176.042 176.600 0.124 0.000 1.021 248 E CA -0.583 55.887 56.400 0.117 0.000 1.015 248 E CB -1.412 28.368 29.700 0.135 0.000 1.102 248 E HN 0.021 8.457 8.360 0.126 0.000 0.452 249 F N 1.516 121.454 119.950 -0.020 0.000 2.126 249 F HA -0.313 nan 4.527 nan 0.000 0.299 249 F C -0.378 175.410 175.800 -0.019 0.000 1.096 249 F CA 2.143 60.127 58.000 -0.026 0.000 1.255 249 F CB 1.154 40.118 39.000 -0.061 0.000 0.997 249 F HN -0.534 7.814 8.300 0.234 0.093 0.479 250 E N -4.630 115.494 120.200 -0.128 0.000 2.407 250 E HA 0.227 nan 4.350 nan 0.000 0.279 250 E C -2.839 173.727 176.600 -0.057 0.000 1.012 250 E CA -3.157 53.116 56.400 -0.212 0.000 0.800 250 E CB 0.997 30.522 29.700 -0.292 0.000 1.276 250 E HN -0.458 7.933 8.360 0.052 0.000 0.452 251 P HA 0.097 nan 4.420 nan 0.000 0.271 251 P C -1.552 175.745 177.300 -0.005 0.000 1.216 251 P CA -0.110 63.007 63.100 0.028 0.000 0.776 251 P CB 0.448 32.169 31.700 0.035 0.000 0.881 252 C N -0.482 118.866 119.300 0.080 0.000 3.171 252 C HA 0.637 nan 4.460 nan 0.000 0.336 252 C C -2.355 172.768 174.990 0.221 0.000 1.198 252 C CA -2.559 56.471 59.018 0.021 0.000 1.319 252 C CB 3.174 30.904 27.740 -0.016 0.000 1.682 252 C HN -0.176 8.147 8.230 0.154 0.000 0.497 253 F N -3.109 116.839 119.950 -0.002 0.000 2.769 253 F HA 0.440 nan 4.527 nan 0.000 0.313 253 F C -3.368 172.474 175.800 0.070 0.000 1.146 253 F CA -0.776 57.270 58.000 0.078 0.000 0.934 253 F CB 1.553 40.690 39.000 0.228 0.000 1.283 253 F HN -0.291 7.870 8.300 -0.232 0.000 0.443 254 D N 1.143 121.777 120.400 0.389 0.000 2.192 254 D HA 0.438 nan 4.640 nan 0.000 0.246 254 D C 0.611 177.198 176.300 0.477 0.000 1.042 254 D CA -1.631 52.526 54.000 0.260 0.000 0.847 254 D CB 2.070 43.053 40.800 0.305 0.000 1.186 254 D HN -0.067 8.569 8.370 0.444 0.000 0.461 255 A N 4.731 127.731 122.820 0.300 0.000 2.019 255 A HA -0.201 nan 4.320 nan 0.000 0.219 255 A C 1.062 178.853 177.584 0.345 0.000 1.164 255 A CA 3.271 55.509 52.037 0.336 0.000 0.644 255 A CB -0.054 19.007 19.000 0.103 0.000 0.805 255 A HN 0.444 8.581 8.150 0.104 0.076 0.449 256 A N -3.679 119.229 122.820 0.146 0.000 2.239 256 A HA -0.143 nan 4.320 nan 0.000 0.209 256 A C 0.794 178.529 177.584 0.251 0.000 1.171 256 A CA 1.829 53.915 52.037 0.081 0.000 0.768 256 A CB -0.693 18.086 19.000 -0.367 0.000 0.790 256 A HN -0.014 8.120 8.150 0.028 0.032 0.478 257 D N -2.243 118.357 120.400 0.334 0.000 2.340 257 D HA 0.143 nan 4.640 nan 0.000 0.220 257 D C -1.120 175.120 176.300 -0.101 0.000 1.039 257 D CA 1.334 55.408 54.000 0.124 0.000 0.866 257 D CB 0.568 41.375 40.800 0.012 0.000 0.913 257 D HN -0.447 8.124 8.370 0.461 0.075 0.523 258 F N -1.802 118.250 119.950 0.170 0.000 2.508 258 F HA 0.487 nan 4.527 nan 0.000 0.325 258 F C -0.669 175.273 175.800 0.237 0.000 1.090 258 F CA -0.966 57.139 58.000 0.176 0.000 0.945 258 F CB 2.970 42.030 39.000 0.099 0.000 1.156 258 F HN -0.602 7.851 8.300 0.542 0.172 0.463 259 I N 2.350 123.195 120.570 0.458 0.000 2.569 259 I HA 0.406 nan 4.170 nan 0.000 0.290 259 I C -2.481 173.931 176.117 0.492 0.000 1.088 259 I CA -1.600 59.967 61.300 0.445 0.000 1.047 259 I CB 4.812 43.067 38.000 0.426 0.000 1.237 259 I HN 0.833 9.326 8.210 0.472 0.000 0.421 260 R N 7.693 128.432 120.500 0.398 0.000 2.407 260 R HA 0.700 nan 4.340 nan 0.000 0.303 260 R C -1.561 174.989 176.300 0.417 0.000 0.981 260 R CA -1.423 54.896 56.100 0.365 0.000 0.905 260 R CB 1.481 31.905 30.300 0.207 0.000 1.099 260 R HN 0.501 9.327 8.270 0.346 -0.349 0.459 261 A N 3.210 126.362 122.820 0.552 0.000 3.355 261 A HA 0.396 nan 4.320 nan 0.000 0.290 261 A C -0.425 177.611 177.584 0.753 0.000 0.973 261 A CA -1.233 51.246 52.037 0.737 0.000 0.933 261 A CB 0.143 19.799 19.000 1.095 0.000 1.138 261 A HN 0.537 9.005 8.150 0.530 0.000 0.490 262 G N 2.718 111.845 108.800 0.544 0.000 2.574 262 G HA2 -0.490 nan 3.960 nan 0.000 0.301 262 G HA3 -0.490 nan 3.960 nan 0.000 0.301 262 G C 0.174 175.336 174.900 0.437 0.000 1.166 262 G CA 1.122 46.525 45.100 0.506 0.000 0.971 262 G HN 0.145 8.645 8.290 0.350 0.000 0.542 263 R N 3.206 123.850 120.500 0.240 0.000 2.280 263 R HA -0.079 nan 4.340 nan 0.000 0.207 263 R C -0.992 175.456 176.300 0.247 0.000 1.043 263 R CA 1.781 57.946 56.100 0.108 0.000 1.006 263 R CB 0.745 31.014 30.300 -0.052 0.000 0.885 263 R HN -0.086 8.286 8.270 0.170 0.000 0.467 264 D N -1.640 118.957 120.400 0.328 0.000 2.375 264 D HA 0.608 nan 4.640 nan 0.000 0.247 264 D C -1.869 174.520 176.300 0.148 0.000 1.061 264 D CA 0.053 54.190 54.000 0.229 0.000 0.834 264 D CB 2.776 43.691 40.800 0.193 0.000 1.247 264 D HN -0.742 7.819 8.370 0.411 0.056 0.489 265 I N 1.353 121.930 120.570 0.011 0.000 2.465 265 I HA 0.712 nan 4.170 nan 0.000 0.291 265 I C -1.597 174.443 176.117 -0.128 0.000 1.014 265 I CA -0.948 60.405 61.300 0.088 0.000 1.093 265 I CB 3.237 41.356 38.000 0.198 0.000 1.267 265 I HN 0.806 9.039 8.210 0.037 0.000 0.431 266 F N 5.659 125.841 119.950 0.387 0.000 2.450 266 F HA 0.824 nan 4.527 nan 0.000 0.332 266 F C -1.602 174.275 175.800 0.127 0.000 1.093 266 F CA -1.878 56.294 58.000 0.287 0.000 1.003 266 F CB 2.597 41.778 39.000 0.301 0.000 1.151 266 F HN 0.702 9.321 8.300 0.531 0.000 0.474 267 A N 1.227 124.111 122.820 0.107 0.000 2.515 267 A HA 0.969 nan 4.320 nan 0.000 0.296 267 A C -2.844 174.660 177.584 -0.133 0.000 1.094 267 A CA -1.334 50.536 52.037 -0.279 0.000 0.718 267 A CB 3.813 22.337 19.000 -0.794 0.000 1.307 267 A HN 0.935 9.191 8.150 0.177 0.000 0.408 268 Q N -1.426 118.264 119.800 -0.184 0.000 2.394 268 Q HA 0.586 nan 4.340 nan 0.000 0.273 268 Q C -1.281 174.592 176.000 -0.211 0.000 1.089 268 Q CA -1.789 53.973 55.803 -0.068 0.000 0.812 268 Q CB 3.422 32.252 28.738 0.153 0.000 1.353 268 Q HN -0.052 8.028 8.270 -0.317 0.000 0.438 269 R N 4.394 124.733 120.500 -0.268 0.000 2.267 269 R HA 0.146 nan 4.340 nan 0.000 0.319 269 R C -0.829 175.122 176.300 -0.582 0.000 1.067 269 R CA -0.443 55.314 56.100 -0.572 0.000 0.936 269 R CB -0.044 29.713 30.300 -0.906 0.000 1.006 269 R HN 0.465 8.643 8.270 -0.153 0.000 0.452 270 S N 3.843 119.195 115.700 -0.580 0.000 2.900 270 S HA 0.443 nan 4.470 nan 0.000 0.320 270 S C -0.355 173.974 174.600 -0.451 0.000 1.130 270 S CA -1.214 56.743 58.200 -0.405 0.000 0.863 270 S CB 3.094 66.218 63.200 -0.127 0.000 1.295 270 S HN 0.411 8.408 8.310 -0.523 0.000 0.596 271 Q N -1.754 118.011 119.800 -0.059 0.000 2.291 271 Q HA 0.010 nan 4.340 nan 0.000 0.205 271 Q C 1.878 177.882 176.000 0.007 0.000 0.970 271 Q CA 2.077 57.909 55.803 0.049 0.000 0.876 271 Q CB 0.425 29.238 28.738 0.125 0.000 0.935 271 Q HN 0.359 8.650 8.270 0.035 0.000 0.455 272 V N -10.286 109.619 119.914 -0.014 0.000 3.605 272 V HA 0.287 nan 4.120 nan 0.000 0.284 272 V C 0.001 176.113 176.094 0.030 0.000 1.386 272 V CA -0.706 61.619 62.300 0.042 0.000 1.053 272 V CB 0.622 32.467 31.823 0.037 0.000 0.857 272 V HN -0.708 7.408 8.190 -0.056 0.040 0.436 273 T N 5.304 119.828 114.554 -0.049 0.000 2.864 273 T HA 0.299 nan 4.350 nan 0.000 0.310 273 T C -1.531 173.051 174.700 -0.196 0.000 1.040 273 T CA -0.202 61.895 62.100 -0.005 0.000 0.977 273 T CB 0.408 69.285 68.868 0.015 0.000 0.976 273 T HN -0.598 7.447 8.240 -0.142 0.109 0.459 274 N N 6.238 124.868 118.700 -0.117 0.000 2.447 274 N HA 0.469 nan 4.740 nan 0.000 0.271 274 N C 0.671 176.075 175.510 -0.176 0.000 1.226 274 N CA -1.791 51.127 53.050 -0.220 0.000 0.980 274 N CB 1.705 40.144 38.487 -0.080 0.000 1.206 274 N HN -0.259 8.129 8.380 0.013 0.000 0.558 275 Y N -2.298 118.002 120.300 -0.000 0.000 2.274 275 Y HA -0.269 nan 4.550 nan 0.000 0.290 275 Y C 2.245 178.178 175.900 0.054 0.000 1.145 275 Y CA 3.806 61.917 58.100 0.018 0.000 1.203 275 Y CB -0.045 38.427 38.460 0.019 0.000 0.984 275 Y HN 0.019 8.478 8.280 -0.199 -0.298 0.533 276 L N -1.237 120.108 121.223 0.203 0.000 2.056 276 L HA -0.389 nan 4.340 nan 0.000 0.207 276 L C 2.440 179.444 176.870 0.224 0.000 1.078 276 L CA 3.192 58.138 54.840 0.177 0.000 0.749 276 L CB -0.787 41.347 42.059 0.125 0.000 0.901 276 L HN -0.306 8.253 8.230 0.177 -0.223 0.433 277 G N -0.760 108.175 108.800 0.224 0.000 2.418 277 G HA2 -0.360 nan 3.960 nan 0.000 0.217 277 G HA3 -0.360 nan 3.960 nan 0.000 0.217 277 G C 1.465 176.490 174.900 0.208 0.000 1.158 277 G CA 2.036 47.347 45.100 0.351 0.000 0.771 277 G HN 0.001 8.295 8.290 0.167 0.096 0.545 278 I N 1.729 122.390 120.570 0.152 0.000 2.226 278 I HA -0.529 nan 4.170 nan 0.000 0.245 278 I C 1.390 177.590 176.117 0.138 0.000 1.100 278 I CA 3.777 65.167 61.300 0.149 0.000 1.374 278 I CB -0.047 38.005 38.000 0.086 0.000 1.057 278 I HN -0.200 8.088 8.210 0.130 0.000 0.413 279 E N 0.350 120.640 120.200 0.150 0.000 2.110 279 E HA -0.314 nan 4.350 nan 0.000 0.193 279 E C 1.716 178.362 176.600 0.076 0.000 0.988 279 E CA 2.911 59.371 56.400 0.099 0.000 0.804 279 E CB -0.632 29.130 29.700 0.104 0.000 0.745 279 E HN 0.012 8.371 8.360 0.179 0.109 0.458 280 W N 0.452 121.772 121.300 0.034 0.000 2.335 280 W HA -0.353 nan 4.660 nan 0.000 0.311 280 W C 2.097 178.629 176.519 0.020 0.000 1.213 280 W CA 4.110 61.479 57.345 0.039 0.000 1.274 280 W CB 0.075 29.582 29.460 0.079 0.000 1.148 280 W HN 0.098 8.478 8.180 0.332 0.000 0.498 281 M N -1.816 117.817 119.600 0.056 0.000 2.086 281 M HA -0.466 nan 4.480 nan 0.000 0.261 281 M C 2.357 178.555 176.300 -0.170 0.000 1.067 281 M CA 2.741 57.959 55.300 -0.136 0.000 1.116 281 M CB -1.036 31.413 32.600 -0.251 0.000 1.348 281 M HN -0.545 7.866 8.290 0.202 0.000 0.407 282 R N -0.915 119.534 120.500 -0.086 0.000 2.083 282 R HA -0.409 nan 4.340 nan 0.000 0.237 282 R C 2.239 178.452 176.300 -0.144 0.000 1.137 282 R CA 3.878 59.926 56.100 -0.085 0.000 0.951 282 R CB -0.047 30.222 30.300 -0.051 0.000 0.851 282 R HN 0.242 8.498 8.270 -0.024 0.000 0.434 283 R N -2.784 117.598 120.500 -0.196 0.000 2.092 283 R HA -0.226 nan 4.340 nan 0.000 0.231 283 R C 2.094 178.215 176.300 -0.298 0.000 1.119 283 R CA 2.798 58.764 56.100 -0.223 0.000 0.970 283 R CB -0.120 30.051 30.300 -0.215 0.000 0.864 283 R HN -0.017 8.139 8.270 -0.189 0.000 0.440 284 H N -0.679 118.040 119.070 -0.584 0.000 2.389 284 H HA -0.177 nan 4.556 nan 0.000 0.299 284 H C 1.165 176.308 175.328 -0.308 0.000 1.081 284 H CA 2.799 58.488 56.048 -0.600 0.000 1.345 284 H CB 0.412 29.492 29.762 -1.137 0.000 1.393 284 H HN -0.270 7.681 8.280 -0.549 0.000 0.520 285 L N -3.421 117.627 121.223 -0.291 0.000 2.477 285 L HA -0.006 nan 4.340 nan 0.000 0.220 285 L C -0.651 176.197 176.870 -0.037 0.000 1.106 285 L CA 0.130 54.874 54.840 -0.160 0.000 0.851 285 L CB 0.491 42.510 42.059 -0.067 0.000 0.994 285 L HN -0.445 7.652 8.230 -0.221 0.000 0.462 286 A N 0.692 123.458 122.820 -0.091 0.000 2.425 286 A HA 0.032 nan 4.320 nan 0.000 0.242 286 A C -1.526 176.012 177.584 -0.077 0.000 1.077 286 A CA -0.307 51.690 52.037 -0.066 0.000 0.781 286 A CB -0.922 18.025 19.000 -0.088 0.000 1.020 286 A HN -0.586 7.480 8.150 -0.140 0.000 0.494 287 P HA 0.174 nan 4.420 nan 0.000 0.257 287 P C -0.099 177.155 177.300 -0.077 0.000 1.241 287 P CA 0.506 63.568 63.100 -0.064 0.000 0.816 287 P CB 1.040 32.700 31.700 -0.066 0.000 1.150 288 D N -0.597 119.756 120.400 -0.079 0.000 2.178 288 D HA -0.191 nan 4.640 nan 0.000 0.201 288 D C 0.011 176.054 176.300 -0.429 0.000 0.980 288 D CA 3.312 57.168 54.000 -0.240 0.000 0.842 288 D CB 0.391 41.048 40.800 -0.238 0.000 0.948 288 D HN 0.040 8.338 8.370 -0.035 0.052 0.472 289 Y N -3.550 116.729 120.300 -0.035 0.000 2.485 289 Y HA 0.370 nan 4.550 nan 0.000 0.345 289 Y C -0.890 174.976 175.900 -0.057 0.000 0.998 289 Y CA -1.155 56.935 58.100 -0.016 0.000 1.059 289 Y CB 3.044 41.507 38.460 0.005 0.000 1.234 289 Y HN -0.738 7.629 8.280 0.170 0.016 0.461 290 R N 1.203 121.755 120.500 0.086 0.000 2.387 290 R HA 0.414 nan 4.340 nan 0.000 0.314 290 R C -1.941 174.257 176.300 -0.170 0.000 0.958 290 R CA -1.108 54.932 56.100 -0.100 0.000 0.846 290 R CB 2.139 32.351 30.300 -0.147 0.000 1.147 290 R HN 0.795 9.155 8.270 0.150 0.000 0.447 291 V N 3.531 123.311 119.914 -0.224 0.000 2.370 291 V HA 0.400 nan 4.120 nan 0.000 0.283 291 V C -0.669 175.240 176.094 -0.308 0.000 1.023 291 V CA -0.999 61.217 62.300 -0.141 0.000 0.857 291 V CB 0.242 32.072 31.823 0.012 0.000 0.985 291 V HN 0.363 8.427 8.190 -0.210 0.000 0.443 292 H N 6.381 125.374 119.070 -0.129 0.000 2.499 292 H HA 0.357 nan 4.556 nan 0.000 0.340 292 H C -1.148 174.200 175.328 0.034 0.000 1.148 292 H CA -1.732 54.282 56.048 -0.056 0.000 1.215 292 H CB 3.363 33.086 29.762 -0.064 0.000 1.529 292 H HN 0.816 9.073 8.280 -0.039 0.000 0.510 293 I N 1.721 122.383 120.570 0.154 0.000 2.354 293 I HA 0.527 nan 4.170 nan 0.000 0.292 293 I C -0.303 175.869 176.117 0.091 0.000 0.989 293 I CA -0.795 60.571 61.300 0.110 0.000 1.188 293 I CB 0.808 38.879 38.000 0.118 0.000 1.342 293 I HN 0.294 8.582 8.210 0.130 0.000 0.457 294 I N 3.124 123.705 120.570 0.019 0.000 2.957 294 I HA 0.640 nan 4.170 nan 0.000 0.310 294 I C -2.162 173.750 176.117 -0.342 0.000 1.063 294 I CA -2.305 58.891 61.300 -0.174 0.000 1.033 294 I CB 3.457 41.285 38.000 -0.288 0.000 1.230 294 I HN 0.771 8.999 8.210 0.030 0.000 0.447 295 S N -1.247 114.124 115.700 -0.549 0.000 2.627 295 S HA 0.392 nan 4.470 nan 0.000 0.283 295 S C -1.576 172.427 174.600 -0.995 0.000 1.127 295 S CA -1.148 56.785 58.200 -0.444 0.000 0.863 295 S CB 3.237 66.512 63.200 0.125 0.000 1.121 295 S HN 0.173 8.250 8.310 -0.548 -0.096 0.479 296 F N -2.166 117.653 119.950 -0.217 0.000 2.629 296 F HA 0.583 nan 4.527 nan 0.000 0.316 296 F C -1.040 174.512 175.800 -0.413 0.000 1.081 296 F CA -1.317 56.406 58.000 -0.462 0.000 0.954 296 F CB 4.266 43.143 39.000 -0.205 0.000 1.337 296 F HN -0.052 8.283 8.300 0.059 0.000 0.474 297 K N 1.233 121.522 120.400 -0.185 0.000 2.218 297 K HA -0.098 nan 4.320 nan 0.000 0.276 297 K C -0.218 176.366 176.600 -0.027 0.000 1.022 297 K CA -0.084 56.197 56.287 -0.009 0.000 0.946 297 K CB 0.860 33.365 32.500 0.007 0.000 1.000 297 K HN 0.368 8.514 8.250 -0.173 0.000 0.468 298 D N 0.227 120.565 120.400 -0.103 0.000 2.810 298 D HA -0.212 nan 4.640 nan 0.000 0.224 298 D C -1.946 174.267 176.300 -0.145 0.000 1.222 298 D CA 0.254 53.952 54.000 -0.504 0.000 0.698 298 D CB -1.497 38.856 40.800 -0.745 0.000 0.961 298 D HN 0.223 8.579 8.370 -0.023 0.000 0.403 299 P HA -0.132 nan 4.420 nan 0.000 0.271 299 P C -0.920 176.522 177.300 0.237 0.000 1.233 299 P CA -0.506 62.714 63.100 0.201 0.000 0.789 299 P CB 0.722 32.605 31.700 0.305 0.000 0.951 300 N N 0.293 119.070 118.700 0.129 0.000 2.497 300 N HA 0.042 nan 4.740 nan 0.000 0.271 300 N C 0.158 175.743 175.510 0.125 0.000 1.142 300 N CA -1.721 51.404 53.050 0.125 0.000 0.965 300 N CB 0.861 39.387 38.487 0.066 0.000 1.077 300 N HN 0.206 8.613 8.380 0.044 0.000 0.462 301 P HA -0.153 nan 4.420 nan 0.000 0.217 301 P C -1.497 175.820 177.300 0.028 0.000 1.148 301 P CA 1.962 65.127 63.100 0.109 0.000 0.828 301 P CB 0.530 32.280 31.700 0.084 0.000 0.783 302 M N -5.676 113.874 119.600 -0.083 0.000 2.322 302 M HA 0.236 nan 4.480 nan 0.000 0.286 302 M C -2.038 174.050 176.300 -0.354 0.000 1.111 302 M CA 0.120 55.230 55.300 -0.316 0.000 0.941 302 M CB 4.001 36.249 32.600 -0.587 0.000 1.671 302 M HN -0.807 7.596 8.290 -0.053 -0.144 0.470 303 H N -1.817 117.279 119.070 0.044 0.000 4.804 303 H HA -0.199 nan 4.556 nan 0.000 0.302 303 H C -1.095 174.259 175.328 0.044 0.000 0.637 303 H CA 0.051 56.134 56.048 0.058 0.000 0.781 303 H CB -0.896 28.903 29.762 0.062 0.000 1.072 303 H HN 0.259 8.910 8.280 0.005 -0.369 0.325 304 I N 1.967 122.648 120.570 0.185 0.000 3.462 304 I HA -0.006 nan 4.170 nan 0.000 0.290 304 I C -0.040 176.116 176.117 0.066 0.000 1.236 304 I CA 0.162 61.512 61.300 0.083 0.000 1.418 304 I CB 1.543 39.631 38.000 0.146 0.000 1.102 304 I HN 0.476 8.718 8.210 0.228 0.105 0.441 305 D N 1.137 121.613 120.400 0.126 0.000 2.392 305 D HA -0.234 nan 4.640 nan 0.000 0.228 305 D C -0.566 175.764 176.300 0.050 0.000 1.003 305 D CA 1.606 55.648 54.000 0.070 0.000 0.917 305 D CB -1.049 39.831 40.800 0.134 0.000 0.890 305 D HN -0.366 8.114 8.370 0.184 0.000 0.532 306 A N -5.118 117.740 122.820 0.064 0.000 2.564 306 A HA 0.285 nan 4.320 nan 0.000 0.279 306 A C -0.283 177.273 177.584 -0.047 0.000 1.232 306 A CA -0.175 51.909 52.037 0.078 0.000 0.950 306 A CB 0.773 19.874 19.000 0.167 0.000 1.138 306 A HN -0.107 8.027 8.150 0.068 0.056 0.526 307 T N 0.251 114.720 114.554 -0.142 0.000 3.177 307 T HA 0.273 nan 4.350 nan 0.000 0.262 307 T C -1.381 173.172 174.700 -0.245 0.000 0.959 307 T CA 1.959 63.861 62.100 -0.331 0.000 0.996 307 T CB 2.968 71.465 68.868 -0.618 0.000 1.185 307 T HN -0.071 7.943 8.240 -0.089 0.172 0.486 308 F N 2.371 122.125 119.950 -0.326 0.000 2.959 308 F HA 0.356 nan 4.527 nan 0.000 0.379 308 F C -2.788 172.947 175.800 -0.109 0.000 1.215 308 F CA -0.774 57.107 58.000 -0.198 0.000 1.190 308 F CB 1.947 40.887 39.000 -0.100 0.000 1.574 308 F HN -0.013 8.258 8.300 -0.048 0.000 0.575 309 N N 6.758 125.329 118.700 -0.215 0.000 2.485 309 N HA 0.293 nan 4.740 nan 0.000 0.243 309 N C -1.035 174.345 175.510 -0.217 0.000 0.987 309 N CA -1.474 51.476 53.050 -0.167 0.000 0.940 309 N CB 2.125 40.538 38.487 -0.123 0.000 1.122 309 N HN 0.088 8.310 8.380 -0.263 0.000 0.509 310 I N 6.141 126.643 120.570 -0.113 0.000 2.436 310 I HA -0.148 nan 4.170 nan 0.000 0.289 310 I C -0.220 175.906 176.117 0.016 0.000 1.083 310 I CA 1.294 62.546 61.300 -0.079 0.000 1.372 310 I CB -0.114 37.997 38.000 0.185 0.000 1.408 310 I HN 0.445 8.651 8.210 -0.007 0.000 0.516 311 I N 0.414 120.898 120.570 -0.143 0.000 4.018 311 I HA 0.288 nan 4.170 nan 0.000 0.337 311 I C -0.928 175.012 176.117 -0.295 0.000 1.327 311 I CA -1.166 60.089 61.300 -0.077 0.000 1.100 311 I CB 1.264 39.249 38.000 -0.025 0.000 1.025 311 I HN 0.401 8.446 8.210 -0.275 0.000 0.396 312 G N -1.130 107.141 108.800 -0.882 0.000 2.441 312 G HA2 0.248 nan 3.960 nan 0.000 0.294 312 G HA3 0.248 nan 3.960 nan 0.000 0.294 312 G C -3.542 170.048 174.900 -2.183 0.000 1.393 312 G CA -0.294 43.845 45.100 -1.601 0.000 0.796 312 G HN -0.843 6.909 8.290 -0.896 0.000 0.494 313 P HA -0.041 nan 4.420 nan 0.000 0.263 313 P C -0.371 176.340 177.300 -0.981 0.000 1.247 313 P CA 0.453 62.761 63.100 -1.320 0.000 0.876 313 P CB -0.925 30.405 31.700 -0.616 0.000 0.928 314 G N 3.475 111.452 108.800 -1.371 0.000 2.136 314 G HA2 -0.436 nan 3.960 nan 0.000 0.242 314 G HA3 -0.436 nan 3.960 nan 0.000 0.242 314 G C -1.661 172.629 174.900 -1.017 0.000 0.989 314 G CA 0.222 44.366 45.100 -1.593 0.000 0.682 314 G HN 0.113 7.454 8.290 -1.581 0.000 0.522 315 I N -1.606 118.401 120.570 -0.938 0.000 2.499 315 I HA 0.716 nan 4.170 nan 0.000 0.288 315 I C -2.493 173.327 176.117 -0.494 0.000 1.048 315 I CA -0.841 60.131 61.300 -0.546 0.000 1.062 315 I CB 2.386 40.120 38.000 -0.444 0.000 1.238 315 I HN -0.508 6.890 8.210 -1.158 0.117 0.426 316 V N 6.994 126.686 119.914 -0.369 0.000 2.841 316 V HA 0.743 nan 4.120 nan 0.000 0.310 316 V C -2.442 173.421 176.094 -0.385 0.000 1.090 316 V CA -2.400 59.629 62.300 -0.452 0.000 0.930 316 V CB 4.470 35.849 31.823 -0.739 0.000 1.014 316 V HN 0.548 8.570 8.190 -0.281 0.000 0.425 317 L N 7.959 128.972 121.223 -0.350 0.000 2.265 317 L HA 0.674 nan 4.340 nan 0.000 0.288 317 L C -1.581 175.098 176.870 -0.319 0.000 1.058 317 L CA -1.223 53.465 54.840 -0.253 0.000 0.809 317 L CB 0.029 42.007 42.059 -0.134 0.000 1.179 317 L HN 0.615 8.636 8.230 -0.347 0.000 0.429 318 S N 4.671 120.223 115.700 -0.247 0.000 2.474 318 S HA 0.162 nan 4.470 nan 0.000 0.321 318 S C -1.125 173.340 174.600 -0.225 0.000 1.080 318 S CA -1.777 56.315 58.200 -0.180 0.000 1.106 318 S CB 1.211 64.371 63.200 -0.068 0.000 0.984 318 S HN 0.506 8.693 8.310 -0.205 0.000 0.464 319 N N 9.222 127.724 118.700 -0.329 0.000 2.411 319 N HA 0.020 nan 4.740 nan 0.000 0.265 319 N C 0.230 175.456 175.510 -0.473 0.000 1.266 319 N CA -1.166 51.508 53.050 -0.626 0.000 0.889 319 N CB 0.811 38.857 38.487 -0.735 0.000 1.069 319 N HN 0.206 8.420 8.380 -0.278 0.000 0.476 320 P HA -0.171 nan 4.420 nan 0.000 0.219 320 P C -0.310 176.904 177.300 -0.145 0.000 1.146 320 P CA 2.313 65.298 63.100 -0.192 0.000 0.808 320 P CB -0.243 31.419 31.700 -0.064 0.000 0.779 321 D N -3.793 116.469 120.400 -0.229 0.000 2.317 321 D HA 0.007 nan 4.640 nan 0.000 0.211 321 D C 0.343 176.571 176.300 -0.118 0.000 0.966 321 D CA 1.057 54.999 54.000 -0.097 0.000 0.876 321 D CB -0.104 40.700 40.800 0.007 0.000 0.927 321 D HN 0.293 8.373 8.370 -0.451 0.019 0.519 322 R N -1.034 119.354 120.500 -0.187 0.000 2.651 322 R HA 0.451 nan 4.340 nan 0.000 0.282 322 R C -2.557 173.727 176.300 -0.026 0.000 1.565 322 R CA -2.780 53.249 56.100 -0.117 0.000 1.661 322 R CB 0.866 31.047 30.300 -0.197 0.000 1.189 322 R HN -0.511 7.442 8.270 -0.277 0.151 0.621 323 P HA -0.038 nan 4.420 nan 0.000 0.269 323 P C -1.442 175.897 177.300 0.064 0.000 1.209 323 P CA -0.622 62.505 63.100 0.045 0.000 0.776 323 P CB 0.790 32.498 31.700 0.015 0.000 0.876 324 C N 3.095 122.465 119.300 0.117 0.000 2.499 324 C HA 0.188 nan 4.460 nan 0.000 0.386 324 C C 2.049 176.941 174.990 -0.163 0.000 1.293 324 C CA -1.054 57.883 59.018 -0.135 0.000 1.884 324 C CB -0.033 27.655 27.740 -0.085 0.000 2.509 324 C HN 0.599 8.926 8.230 0.161 0.000 0.566 325 H N 7.649 126.618 119.070 -0.169 0.000 2.456 325 H HA -0.292 nan 4.556 nan 0.000 0.296 325 H C 1.211 176.489 175.328 -0.082 0.000 1.079 325 H CA 2.392 58.382 56.048 -0.097 0.000 1.322 325 H CB 0.134 29.833 29.762 -0.106 0.000 1.388 325 H HN 0.789 8.578 8.280 -0.636 0.109 0.538 326 Q N -2.600 117.195 119.800 -0.010 0.000 2.211 326 Q HA 0.114 nan 4.340 nan 0.000 0.231 326 Q C 0.572 176.602 176.000 0.050 0.000 0.865 326 Q CA -1.010 54.777 55.803 -0.026 0.000 0.997 326 Q CB -1.048 27.632 28.738 -0.096 0.000 1.101 326 Q HN -0.549 7.621 8.270 -0.119 0.028 0.468 327 I N 1.482 122.125 120.570 0.122 0.000 2.335 327 I HA -0.490 nan 4.170 nan 0.000 0.251 327 I C 0.216 176.437 176.117 0.172 0.000 1.129 327 I CA 2.233 63.685 61.300 0.252 0.000 1.402 327 I CB 0.200 38.304 38.000 0.173 0.000 1.069 327 I HN -0.607 7.573 8.210 0.077 0.076 0.424 328 D N -0.671 119.757 120.400 0.047 0.000 2.218 328 D HA -0.280 nan 4.640 nan 0.000 0.204 328 D C 1.955 178.197 176.300 -0.097 0.000 0.976 328 D CA 4.274 58.270 54.000 -0.006 0.000 0.853 328 D CB -0.221 40.570 40.800 -0.015 0.000 0.939 328 D HN 0.135 8.503 8.370 0.037 0.024 0.481 329 L N -0.322 120.760 121.223 -0.235 0.000 2.046 329 L HA -0.282 nan 4.340 nan 0.000 0.208 329 L C 1.043 177.576 176.870 -0.561 0.000 1.077 329 L CA 3.336 57.907 54.840 -0.447 0.000 0.747 329 L CB -0.083 41.558 42.059 -0.696 0.000 0.896 329 L HN -0.443 7.528 8.230 -0.209 0.134 0.432 330 F N -2.327 117.478 119.950 -0.243 0.000 2.163 330 F HA -0.366 nan 4.527 nan 0.000 0.297 330 F C 2.011 177.739 175.800 -0.120 0.000 1.094 330 F CA 3.740 61.538 58.000 -0.338 0.000 1.290 330 F CB -0.740 38.136 39.000 -0.206 0.000 1.017 330 F HN -0.720 7.260 8.300 -0.373 0.097 0.483 331 K N -0.643 119.828 120.400 0.119 0.000 2.026 331 K HA -0.377 nan 4.320 nan 0.000 0.208 331 K C 2.820 179.454 176.600 0.057 0.000 1.048 331 K CA 3.527 59.877 56.287 0.106 0.000 0.929 331 K CB -0.409 32.140 32.500 0.081 0.000 0.713 331 K HN -0.112 8.211 8.250 0.122 0.000 0.439 332 K N -0.684 119.710 120.400 -0.009 0.000 2.147 332 K HA -0.246 nan 4.320 nan 0.000 0.205 332 K C 1.683 178.280 176.600 -0.005 0.000 1.049 332 K CA 2.495 58.770 56.287 -0.020 0.000 0.936 332 K CB -0.286 32.178 32.500 -0.061 0.000 0.722 332 K HN -0.178 8.048 8.250 -0.040 0.000 0.446 333 A N -4.264 118.535 122.820 -0.036 0.000 2.238 333 A HA 0.092 nan 4.320 nan 0.000 0.208 333 A C 0.230 177.957 177.584 0.238 0.000 1.177 333 A CA -0.316 51.742 52.037 0.034 0.000 0.804 333 A CB -0.185 18.712 19.000 -0.170 0.000 0.823 333 A HN -0.575 7.385 8.150 -0.105 0.127 0.482 334 G N -2.081 106.847 108.800 0.214 0.000 2.160 334 G HA2 -0.278 nan 3.960 nan 0.000 0.244 334 G HA3 -0.278 nan 3.960 nan 0.000 0.244 334 G C -0.324 174.784 174.900 0.346 0.000 1.022 334 G CA 0.083 45.322 45.100 0.232 0.000 0.741 334 G HN -0.292 7.875 8.290 0.141 0.207 0.508 335 W N -0.760 120.582 121.300 0.071 0.000 2.316 335 W HA 0.053 nan 4.660 nan 0.000 0.321 335 W C 0.389 176.909 176.519 0.003 0.000 1.203 335 W CA -1.631 55.742 57.345 0.046 0.000 1.214 335 W CB 0.436 29.962 29.460 0.111 0.000 1.169 335 W HN -0.571 7.903 8.180 0.490 0.000 0.561 336 T N 5.849 120.457 114.554 0.090 0.000 2.729 336 T HA 0.167 nan 4.350 nan 0.000 0.296 336 T C -1.143 173.549 174.700 -0.014 0.000 0.928 336 T CA 0.547 62.654 62.100 0.012 0.000 1.045 336 T CB 0.012 68.839 68.868 -0.070 0.000 0.902 336 T HN 1.018 9.234 8.240 -0.040 0.000 0.500 337 I N 7.593 128.169 120.570 0.011 0.000 2.304 337 I HA 0.368 nan 4.170 nan 0.000 0.291 337 I C -0.879 175.198 176.117 -0.068 0.000 1.018 337 I CA -0.876 60.402 61.300 -0.037 0.000 1.260 337 I CB 0.555 38.566 38.000 0.019 0.000 1.390 337 I HN 0.325 8.558 8.210 0.039 0.000 0.475 338 I N 9.723 130.223 120.570 -0.118 0.000 2.336 338 I HA 0.242 nan 4.170 nan 0.000 0.292 338 I C -1.209 174.834 176.117 -0.124 0.000 0.991 338 I CA -2.204 59.024 61.300 -0.120 0.000 1.227 338 I CB 1.192 39.100 38.000 -0.154 0.000 1.366 338 I HN 0.813 8.928 8.210 -0.158 0.000 0.466 339 T N 4.777 119.275 114.554 -0.095 0.000 2.770 339 T HA 0.489 nan 4.350 nan 0.000 0.297 339 T C -1.737 172.923 174.700 -0.066 0.000 0.997 339 T CA -3.831 58.218 62.100 -0.087 0.000 0.949 339 T CB 0.670 69.503 68.868 -0.058 0.000 0.941 339 T HN 0.278 8.471 8.240 -0.079 0.000 0.457 340 P HA 0.362 nan 4.420 nan 0.000 0.272 340 P C -2.365 175.012 177.300 0.127 0.000 1.230 340 P CA -1.723 61.379 63.100 0.004 0.000 0.788 340 P CB -0.674 31.072 31.700 0.076 0.000 0.949 341 P HA 0.059 nan 4.420 nan 0.000 0.274 341 P C -1.211 176.166 177.300 0.128 0.000 1.246 341 P CA -0.152 62.999 63.100 0.084 0.000 0.795 341 P CB 0.364 32.069 31.700 0.009 0.000 1.006 342 T N -4.317 110.265 114.554 0.047 0.000 2.900 342 T HA 0.057 nan 4.350 nan 0.000 0.307 342 T C -1.572 172.945 174.700 -0.306 0.000 1.065 342 T CA -2.083 59.910 62.100 -0.177 0.000 1.105 342 T CB -1.061 67.735 68.868 -0.120 0.000 0.979 342 T HN -0.110 8.157 8.240 0.045 0.000 0.544 343 P HA 0.142 nan 4.420 nan 0.000 0.271 343 P C -0.839 176.311 177.300 -0.249 0.000 1.218 343 P CA -0.648 62.216 63.100 -0.393 0.000 0.780 343 P CB 0.596 31.965 31.700 -0.552 0.000 0.901 344 I N -5.852 114.622 120.570 -0.159 0.000 4.018 344 I HA 0.235 nan 4.170 nan 0.000 0.337 344 I C 0.397 176.449 176.117 -0.109 0.000 1.327 344 I CA -1.168 60.061 61.300 -0.118 0.000 1.100 344 I CB 0.715 38.666 38.000 -0.082 0.000 1.025 344 I HN 0.074 8.739 8.210 -0.136 -0.537 0.396 345 I N 3.452 123.949 120.570 -0.122 0.000 2.752 345 I HA -0.032 nan 4.170 nan 0.000 0.289 345 I C -1.262 174.806 176.117 -0.083 0.000 1.197 345 I CA -1.357 59.879 61.300 -0.107 0.000 1.432 345 I CB 0.752 38.694 38.000 -0.097 0.000 1.359 345 I HN -0.689 7.480 8.210 -0.144 -0.045 0.571 346 P HA 0.025 nan 4.420 nan 0.000 0.265 346 P C -0.565 176.730 177.300 -0.009 0.000 1.193 346 P CA 0.175 63.255 63.100 -0.035 0.000 0.765 346 P CB 0.609 32.296 31.700 -0.021 0.000 0.823 347 D N 1.364 121.747 120.400 -0.028 0.000 2.312 347 D HA -0.239 nan 4.640 nan 0.000 0.211 347 D C 0.413 176.701 176.300 -0.020 0.000 0.964 347 D CA 2.919 56.897 54.000 -0.036 0.000 0.877 347 D CB -0.176 40.590 40.800 -0.056 0.000 0.924 347 D HN 0.416 8.764 8.370 -0.037 0.000 0.515 348 D N -4.435 115.965 120.400 0.000 0.000 2.349 348 D HA -0.106 nan 4.640 nan 0.000 0.215 348 D C -0.277 176.040 176.300 0.028 0.000 1.016 348 D CA -0.142 53.860 54.000 0.003 0.000 0.870 348 D CB -0.234 40.569 40.800 0.004 0.000 0.917 348 D HN -0.028 8.296 8.370 0.003 0.048 0.524 349 H N 4.155 123.192 119.070 -0.055 0.000 2.767 349 H HA 0.140 nan 4.556 nan 0.000 0.316 349 H C -1.860 173.402 175.328 -0.110 0.000 1.059 349 H CA -1.870 54.134 56.048 -0.073 0.000 1.461 349 H CB 0.759 30.473 29.762 -0.080 0.000 1.475 349 H HN -0.504 7.669 8.280 0.115 0.175 0.531 350 P HA 0.034 nan 4.420 nan 0.000 0.271 350 P C -1.934 174.754 177.300 -1.019 0.000 1.226 350 P CA 0.008 62.665 63.100 -0.739 0.000 0.765 350 P CB 0.686 31.831 31.700 -0.926 0.000 0.835 351 L N 2.735 123.528 121.223 -0.716 0.000 2.433 351 L HA 0.246 nan 4.340 nan 0.000 0.256 351 L C -0.228 176.221 176.870 -0.701 0.000 1.063 351 L CA -0.893 53.629 54.840 -0.532 0.000 0.922 351 L CB 0.289 42.267 42.059 -0.136 0.000 1.238 351 L HN -0.086 7.901 8.230 -0.404 0.000 0.466 352 W N 0.075 121.068 121.300 -0.511 0.000 2.341 352 W HA -0.306 nan 4.660 nan 0.000 0.283 352 W C -0.006 176.532 176.519 0.031 0.000 1.215 352 W CA 2.290 59.362 57.345 -0.454 0.000 1.211 352 W CB 0.167 29.590 29.460 -0.062 0.000 1.131 352 W HN -0.163 7.441 8.180 -0.960 0.000 0.552 353 M N -5.810 113.958 119.600 0.281 0.000 2.631 353 M HA 0.162 nan 4.480 nan 0.000 0.288 353 M C -1.277 175.181 176.300 0.263 0.000 1.260 353 M CA -0.966 54.542 55.300 0.345 0.000 0.842 353 M CB 3.947 36.779 32.600 0.385 0.000 1.743 353 M HN -0.867 7.495 8.290 0.163 0.026 0.461 354 S N -0.580 115.289 115.700 0.282 0.000 3.569 354 S HA -0.267 nan 4.470 nan 0.000 0.635 354 S C -2.214 172.613 174.600 0.378 0.000 2.396 354 S CA 1.024 59.392 58.200 0.280 0.000 2.612 354 S CB 0.078 63.414 63.200 0.227 0.000 0.331 354 S HN 0.599 9.075 8.310 0.276 0.000 1.764 355 S N -1.013 114.887 115.700 0.333 0.000 2.819 355 S HA 0.440 nan 4.470 nan 0.000 0.299 355 S C -0.164 174.543 174.600 0.179 0.000 1.192 355 S CA -1.212 57.180 58.200 0.320 0.000 0.847 355 S CB 1.889 65.362 63.200 0.454 0.000 1.224 355 S HN -0.214 8.268 8.310 0.286 0.000 0.537 356 K N -1.471 118.968 120.400 0.066 0.000 2.360 356 K HA -0.177 nan 4.320 nan 0.000 0.201 356 K C 1.381 177.912 176.600 -0.116 0.000 1.046 356 K CA 1.982 58.219 56.287 -0.082 0.000 0.945 356 K CB -0.484 31.878 32.500 -0.231 0.000 0.750 356 K HN 0.491 8.775 8.250 0.057 0.000 0.464 357 W N -1.256 120.094 121.300 0.083 0.000 3.096 357 W HA -0.128 nan 4.660 nan 0.000 0.241 357 W C 1.250 177.817 176.519 0.080 0.000 1.316 357 W CA 0.702 58.090 57.345 0.073 0.000 1.520 357 W CB -0.412 29.090 29.460 0.069 0.000 1.128 357 W HN -0.606 7.697 8.180 0.293 0.053 0.707 358 L N -0.141 121.224 121.223 0.236 0.000 2.353 358 L HA -0.505 nan 4.340 nan 0.000 0.220 358 L C 1.973 178.954 176.870 0.184 0.000 1.133 358 L CA 2.629 57.583 54.840 0.190 0.000 0.798 358 L CB -0.861 41.273 42.059 0.124 0.000 0.922 358 L HN -0.634 7.599 8.230 0.175 0.102 0.445 359 S N 1.366 117.166 115.700 0.167 0.000 2.383 359 S HA -0.329 nan 4.470 nan 0.000 0.229 359 S C 1.313 176.072 174.600 0.266 0.000 1.030 359 S CA 3.232 61.537 58.200 0.174 0.000 1.002 359 S CB -0.134 63.116 63.200 0.083 0.000 0.829 359 S HN -0.467 7.871 8.310 0.121 0.045 0.467 360 M N -4.599 115.189 119.600 0.314 0.000 2.495 360 M HA 0.214 nan 4.480 nan 0.000 0.237 360 M C 0.288 176.727 176.300 0.230 0.000 1.131 360 M CA 0.169 55.640 55.300 0.285 0.000 1.032 360 M CB 0.265 33.018 32.600 0.255 0.000 1.513 360 M HN -0.595 7.903 8.290 0.371 0.014 0.488 361 N N 3.365 122.210 118.700 0.241 0.000 3.111 361 N HA 0.070 nan 4.740 nan 0.000 0.302 361 N C -1.347 174.346 175.510 0.304 0.000 1.317 361 N CA -0.833 52.352 53.050 0.225 0.000 1.151 361 N CB -0.909 37.710 38.487 0.220 0.000 1.456 361 N HN -0.274 8.048 8.380 0.254 0.211 0.547 362 V N -3.919 116.159 119.914 0.273 0.000 3.133 362 V HA 0.444 nan 4.120 nan 0.000 0.305 362 V C -1.388 174.846 176.094 0.234 0.000 1.084 362 V CA -1.508 60.951 62.300 0.265 0.000 1.089 362 V CB 0.771 32.663 31.823 0.114 0.000 1.073 362 V HN -0.509 7.805 8.190 0.220 0.008 0.477 363 L N 3.130 124.457 121.223 0.173 0.000 2.333 363 L HA 0.518 nan 4.340 nan 0.000 0.280 363 L C -1.228 175.660 176.870 0.031 0.000 1.004 363 L CA -0.865 54.082 54.840 0.178 0.000 0.820 363 L CB 3.640 45.817 42.059 0.197 0.000 1.247 363 L HN -0.412 7.862 8.230 0.072 0.000 0.416 364 M N 5.101 124.742 119.600 0.068 0.000 2.146 364 M HA 0.331 nan 4.480 nan 0.000 0.357 364 M C 0.587 176.901 176.300 0.023 0.000 1.261 364 M CA -1.324 53.987 55.300 0.018 0.000 1.106 364 M CB -0.669 31.987 32.600 0.094 0.000 1.612 364 M HN 0.717 9.094 8.290 0.146 0.000 0.470 365 L N 2.933 124.143 121.223 -0.023 0.000 2.270 365 L HA -0.087 nan 4.340 nan 0.000 0.210 365 L C -0.467 176.410 176.870 0.012 0.000 1.104 365 L CA 2.002 56.834 54.840 -0.014 0.000 0.804 365 L CB -0.076 41.958 42.059 -0.042 0.000 0.937 365 L HN 0.945 9.137 8.230 -0.063 0.000 0.450 366 D N -4.475 115.940 120.400 0.024 0.000 2.769 366 D HA 0.028 nan 4.640 nan 0.000 0.309 366 D C 0.607 176.947 176.300 0.067 0.000 1.315 366 D CA -0.488 53.549 54.000 0.062 0.000 0.780 366 D CB 0.096 40.921 40.800 0.042 0.000 1.312 366 D HN -0.678 7.670 8.370 0.002 0.024 0.437 367 E N -1.693 118.559 120.200 0.086 0.000 2.209 367 E HA -0.283 nan 4.350 nan 0.000 0.196 367 E C 0.733 177.314 176.600 -0.031 0.000 0.993 367 E CA 2.869 59.280 56.400 0.019 0.000 0.819 367 E CB -0.008 29.685 29.700 -0.012 0.000 0.745 367 E HN 0.259 8.687 8.360 0.114 0.000 0.477 368 K N -4.667 115.719 120.400 -0.023 0.000 2.455 368 K HA 0.260 nan 4.320 nan 0.000 0.206 368 K C -1.762 174.803 176.600 -0.058 0.000 1.027 368 K CA -1.300 54.965 56.287 -0.037 0.000 1.113 368 K CB 0.641 33.127 32.500 -0.024 0.000 0.850 368 K HN -0.274 8.206 8.250 -0.005 -0.233 0.503 369 R N -1.390 119.063 120.500 -0.077 0.000 2.502 369 R HA 0.529 nan 4.340 nan 0.000 0.298 369 R C -2.578 173.621 176.300 -0.167 0.000 1.018 369 R CA -0.418 55.616 56.100 -0.110 0.000 0.899 369 R CB 3.348 33.603 30.300 -0.076 0.000 1.181 369 R HN -0.520 7.737 8.270 -0.062 -0.025 0.444 370 V N 4.826 124.580 119.914 -0.267 0.000 2.656 370 V HA 0.762 nan 4.120 nan 0.000 0.307 370 V C -2.430 173.442 176.094 -0.370 0.000 1.051 370 V CA -2.710 59.366 62.300 -0.373 0.000 0.893 370 V CB 4.330 35.713 31.823 -0.733 0.000 0.999 370 V HN 0.909 8.944 8.190 -0.258 0.000 0.426 371 M N 9.624 128.999 119.600 -0.376 0.000 2.084 371 M HA 0.625 nan 4.480 nan 0.000 0.351 371 M C -2.358 173.532 176.300 -0.684 0.000 1.240 371 M CA 0.106 55.069 55.300 -0.561 0.000 1.083 371 M CB 1.325 33.551 32.600 -0.624 0.000 1.593 371 M HN 0.366 8.475 8.290 -0.302 0.000 0.463 372 V N 5.422 124.998 119.914 -0.564 0.000 3.040 372 V HA 0.505 nan 4.120 nan 0.000 0.312 372 V C -2.848 173.267 176.094 0.034 0.000 1.115 372 V CA -3.152 59.040 62.300 -0.180 0.000 0.998 372 V CB 4.442 36.233 31.823 -0.053 0.000 1.042 372 V HN 0.697 8.583 8.190 -0.506 0.000 0.433 373 D N 3.521 124.148 120.400 0.379 0.000 2.417 373 D HA -0.061 nan 4.640 nan 0.000 0.250 373 D C 0.896 177.280 176.300 0.139 0.000 1.166 373 D CA 1.230 55.434 54.000 0.340 0.000 0.881 373 D CB 1.271 42.213 40.800 0.236 0.000 1.164 373 D HN 0.310 8.918 8.370 0.397 0.000 0.467 374 A N 8.420 131.299 122.820 0.099 0.000 1.978 374 A HA -0.295 nan 4.320 nan 0.000 0.220 374 A C 1.214 178.809 177.584 0.018 0.000 1.170 374 A CA 2.727 54.785 52.037 0.036 0.000 0.636 374 A CB 0.022 19.032 19.000 0.017 0.000 0.810 374 A HN 0.596 8.722 8.150 0.142 0.110 0.448 375 N N -3.678 115.029 118.700 0.010 0.000 2.354 375 N HA -0.102 nan 4.740 nan 0.000 0.179 375 N C 0.302 175.807 175.510 -0.008 0.000 1.021 375 N CA 2.044 55.084 53.050 -0.016 0.000 0.887 375 N CB 0.435 38.892 38.487 -0.050 0.000 0.974 375 N HN -0.298 8.328 8.380 0.021 -0.233 0.437 376 E N 1.213 121.424 120.200 0.019 0.000 2.148 376 E HA 0.048 nan 4.350 nan 0.000 0.308 376 E C -0.015 176.605 176.600 0.033 0.000 1.278 376 E CA -0.537 55.876 56.400 0.022 0.000 1.368 376 E CB -1.922 27.810 29.700 0.052 0.000 1.229 376 E HN -0.526 7.714 8.360 0.044 0.147 0.494 377 V N 3.077 122.998 119.914 0.012 0.000 2.282 377 V HA -0.319 nan 4.120 nan 0.000 0.249 377 V C -0.578 175.525 176.094 0.016 0.000 1.057 377 V CA 6.407 68.716 62.300 0.015 0.000 1.032 377 V CB -2.693 29.130 31.823 0.000 0.000 0.645 377 V HN -0.210 7.918 8.190 -0.002 0.061 0.447 378 P HA -0.248 nan 4.420 nan 0.000 0.215 378 P C 1.536 178.828 177.300 -0.012 0.000 1.153 378 P CA 3.448 66.543 63.100 -0.009 0.000 0.853 378 P CB -0.407 31.281 31.700 -0.021 0.000 0.788 379 I N -3.155 117.421 120.570 0.009 0.000 2.617 379 I HA -0.395 nan 4.170 nan 0.000 0.256 379 I C 1.053 177.215 176.117 0.076 0.000 1.167 379 I CA 2.022 63.312 61.300 -0.016 0.000 1.469 379 I CB -0.162 37.871 38.000 0.055 0.000 1.098 379 I HN -0.724 7.500 8.210 0.024 0.000 0.436 380 Q N 0.466 120.354 119.800 0.146 0.000 2.084 380 Q HA -0.416 nan 4.340 nan 0.000 0.202 380 Q C 2.449 178.530 176.000 0.134 0.000 0.978 380 Q CA 3.732 59.652 55.803 0.196 0.000 0.844 380 Q CB -0.259 28.540 28.738 0.102 0.000 0.898 380 Q HN -0.453 7.770 8.270 0.101 0.108 0.426 381 K N -0.825 119.607 120.400 0.052 0.000 2.057 381 K HA -0.281 nan 4.320 nan 0.000 0.207 381 K C 2.210 178.806 176.600 -0.007 0.000 1.049 381 K CA 2.210 58.509 56.287 0.020 0.000 0.931 381 K CB -0.722 31.777 32.500 -0.001 0.000 0.714 381 K HN -0.082 8.191 8.250 0.039 0.000 0.440 382 M N -0.096 119.459 119.600 -0.075 0.000 2.080 382 M HA -0.376 nan 4.480 nan 0.000 0.260 382 M C 2.168 178.375 176.300 -0.154 0.000 1.068 382 M CA 3.857 59.054 55.300 -0.170 0.000 1.109 382 M CB -0.070 32.340 32.600 -0.316 0.000 1.342 382 M HN -0.661 7.512 8.290 -0.075 0.072 0.405 383 F N -2.457 117.481 119.950 -0.020 0.000 2.146 383 F HA -0.399 nan 4.527 nan 0.000 0.298 383 F C 2.240 178.021 175.800 -0.031 0.000 1.096 383 F CA 3.693 61.675 58.000 -0.030 0.000 1.275 383 F CB -0.808 38.174 39.000 -0.030 0.000 1.008 383 F HN -0.333 7.918 8.300 -0.081 0.000 0.480 384 E N -0.589 119.707 120.200 0.160 0.000 2.110 384 E HA -0.377 nan 4.350 nan 0.000 0.193 384 E C 2.927 179.552 176.600 0.042 0.000 0.988 384 E CA 3.317 59.764 56.400 0.079 0.000 0.804 384 E CB -0.434 29.298 29.700 0.054 0.000 0.745 384 E HN -0.006 8.456 8.360 0.170 0.000 0.458 385 K N -0.612 119.802 120.400 0.022 0.000 2.283 385 K HA -0.221 nan 4.320 nan 0.000 0.202 385 K C 1.353 177.953 176.600 -0.000 0.000 1.048 385 K CA 2.484 58.772 56.287 0.001 0.000 0.948 385 K CB -0.148 32.342 32.500 -0.017 0.000 0.742 385 K HN -0.134 8.128 8.250 0.020 0.000 0.458 386 L N -3.038 118.192 121.223 0.012 0.000 2.591 386 L HA 0.059 nan 4.340 nan 0.000 0.228 386 L C -0.207 176.673 176.870 0.018 0.000 1.133 386 L CA -0.311 54.534 54.840 0.010 0.000 0.880 386 L CB 0.096 42.167 42.059 0.019 0.000 1.033 386 L HN -0.775 7.323 8.230 0.030 0.151 0.450 387 G N -1.739 107.075 108.800 0.024 0.000 2.147 387 G HA2 -0.418 nan 3.960 nan 0.000 0.244 387 G HA3 -0.418 nan 3.960 nan 0.000 0.244 387 G C -0.491 174.419 174.900 0.016 0.000 1.005 387 G CA 0.371 45.479 45.100 0.013 0.000 0.713 387 G HN -0.203 7.901 8.290 0.028 0.203 0.515 388 I N 0.169 120.765 120.570 0.044 0.000 2.339 388 I HA -0.015 nan 4.170 nan 0.000 0.290 388 I C -0.621 175.493 176.117 -0.004 0.000 0.994 388 I CA -0.868 60.443 61.300 0.019 0.000 1.191 388 I CB 1.086 39.118 38.000 0.054 0.000 1.343 388 I HN -0.256 7.977 8.210 0.077 0.023 0.458 389 T N 10.130 124.659 114.554 -0.041 0.000 2.817 389 T HA 0.055 nan 4.350 nan 0.000 0.295 389 T C -0.160 174.480 174.700 -0.099 0.000 0.958 389 T CA 0.906 62.974 62.100 -0.053 0.000 1.157 389 T CB 0.066 68.903 68.868 -0.052 0.000 0.898 389 T HN 0.371 8.585 8.240 -0.042 0.000 0.536 390 T N 3.210 117.716 114.554 -0.079 0.000 2.771 390 T HA 0.599 nan 4.350 nan 0.000 0.291 390 T C -0.354 174.275 174.700 -0.118 0.000 0.954 390 T CA -1.899 60.131 62.100 -0.117 0.000 1.045 390 T CB 0.312 69.153 68.868 -0.044 0.000 0.917 390 T HN 0.186 8.401 8.240 -0.042 0.000 0.484 391 I N 7.052 127.518 120.570 -0.172 0.000 2.371 391 I HA 0.226 nan 4.170 nan 0.000 0.282 391 I C -1.136 174.861 176.117 -0.199 0.000 1.031 391 I CA -0.717 60.485 61.300 -0.164 0.000 1.180 391 I CB 1.044 38.937 38.000 -0.179 0.000 1.336 391 I HN 1.011 9.084 8.210 -0.228 0.000 0.467 392 K N 6.946 127.270 120.400 -0.127 0.000 2.258 392 K HA 0.342 nan 4.320 nan 0.000 0.284 392 K C -1.241 175.312 176.600 -0.078 0.000 1.051 392 K CA 0.093 56.322 56.287 -0.096 0.000 0.923 392 K CB 0.376 32.851 32.500 -0.042 0.000 1.046 392 K HN 0.197 8.389 8.250 -0.096 0.000 0.474 393 V N 3.586 123.474 119.914 -0.043 0.000 2.760 393 V HA 0.198 nan 4.120 nan 0.000 0.309 393 V C -1.614 174.584 176.094 0.172 0.000 1.077 393 V CA -1.571 60.758 62.300 0.047 0.000 0.910 393 V CB 4.253 36.105 31.823 0.048 0.000 1.008 393 V HN 0.510 8.676 8.190 -0.040 0.000 0.424 394 N N 5.606 124.354 118.700 0.078 0.000 2.414 394 N HA 0.311 nan 4.740 nan 0.000 0.256 394 N C -0.450 175.047 175.510 -0.023 0.000 1.029 394 N CA -0.028 53.041 53.050 0.033 0.000 0.948 394 N CB 0.439 38.915 38.487 -0.019 0.000 1.102 394 N HN 0.289 8.691 8.380 0.037 0.000 0.496 395 I N -0.032 120.492 120.570 -0.078 0.000 3.083 395 I HA 0.405 nan 4.170 nan 0.000 0.336 395 I C -0.103 175.906 176.117 -0.181 0.000 1.497 395 I CA -1.972 59.201 61.300 -0.212 0.000 0.936 395 I CB 0.120 37.860 38.000 -0.433 0.000 1.671 395 I HN -0.400 7.972 8.210 -0.042 -0.187 0.535 396 R N 3.618 124.032 120.500 -0.144 0.000 2.091 396 R HA -0.380 nan 4.340 nan 0.000 0.238 396 R C 1.121 177.404 176.300 -0.028 0.000 1.136 396 R CA 3.516 59.513 56.100 -0.172 0.000 0.959 396 R CB -0.353 29.778 30.300 -0.281 0.000 0.856 396 R HN -0.096 8.325 8.270 -0.132 -0.230 0.437 397 N N -0.857 117.827 118.700 -0.028 0.000 2.300 397 N HA -0.171 nan 4.740 nan 0.000 0.179 397 N C 2.338 177.971 175.510 0.206 0.000 1.016 397 N CA 3.305 56.398 53.050 0.072 0.000 0.876 397 N CB -0.204 38.155 38.487 -0.213 0.000 0.979 397 N HN -0.363 8.368 8.380 -0.101 -0.412 0.432 398 A N 0.804 123.635 122.820 0.020 0.000 1.969 398 A HA -0.196 nan 4.320 nan 0.000 0.218 398 A C 2.105 179.838 177.584 0.248 0.000 1.169 398 A CA 2.782 54.831 52.037 0.022 0.000 0.635 398 A CB -0.769 17.885 19.000 -0.578 0.000 0.810 398 A HN 0.190 8.546 8.150 -0.095 -0.263 0.445 399 N N -1.429 117.346 118.700 0.125 0.000 2.137 399 N HA -0.284 nan 4.740 nan 0.000 0.190 399 N C 2.528 178.114 175.510 0.127 0.000 1.017 399 N CA 2.659 55.796 53.050 0.145 0.000 0.859 399 N CB -0.855 37.680 38.487 0.079 0.000 1.002 399 N HN 0.115 8.496 8.380 0.026 0.015 0.428 400 S N 1.190 116.929 115.700 0.065 0.000 2.402 400 S HA -0.289 nan 4.470 nan 0.000 0.233 400 S C 1.549 176.117 174.600 -0.053 0.000 1.030 400 S CA 3.246 61.283 58.200 -0.271 0.000 1.003 400 S CB -0.323 62.420 63.200 -0.762 0.000 0.813 400 S HN -0.575 7.727 8.310 0.178 0.114 0.477 401 L N -2.401 118.904 121.223 0.136 0.000 2.465 401 L HA -0.203 nan 4.340 nan 0.000 0.224 401 L C 0.672 177.636 176.870 0.156 0.000 1.145 401 L CA 1.234 56.155 54.840 0.134 0.000 0.834 401 L CB 0.068 42.159 42.059 0.053 0.000 0.944 401 L HN -0.525 7.692 8.230 0.206 0.137 0.451 402 G N -3.900 104.986 108.800 0.144 0.000 2.159 402 G HA2 -0.170 nan 3.960 nan 0.000 0.170 402 G HA3 -0.170 nan 3.960 nan 0.000 0.170 402 G C -1.065 173.900 174.900 0.108 0.000 1.007 402 G CA -0.474 44.717 45.100 0.151 0.000 0.672 402 G HN -0.020 8.170 8.290 0.143 0.185 0.507 403 G N -2.075 106.799 108.800 0.123 0.000 2.704 403 G HA2 0.187 nan 3.960 nan 0.000 0.293 403 G HA3 0.187 nan 3.960 nan 0.000 0.293 403 G C -1.916 173.144 174.900 0.266 0.000 1.421 403 G CA -0.567 44.607 45.100 0.122 0.000 0.870 403 G HN -0.972 7.444 8.290 0.210 0.000 0.492 404 G N -1.283 107.625 108.800 0.179 0.000 2.857 404 G HA2 0.598 nan 3.960 nan 0.000 0.217 404 G HA3 0.598 nan 3.960 nan 0.000 0.217 404 G C 0.135 175.040 174.900 0.008 0.000 1.357 404 G CA -1.535 43.559 45.100 -0.010 0.000 1.033 404 G HN -0.486 7.905 8.290 0.168 0.000 0.571 405 F N -0.131 119.952 119.950 0.221 0.000 2.134 405 F HA -0.305 nan 4.527 nan 0.000 0.299 405 F C 1.537 177.469 175.800 0.221 0.000 1.097 405 F CA 4.092 62.208 58.000 0.192 0.000 1.264 405 F CB -0.050 39.016 39.000 0.111 0.000 1.001 405 F HN -0.304 7.863 8.300 -0.221 0.000 0.479 406 H N -2.094 117.142 119.070 0.275 0.000 2.387 406 H HA -0.282 nan 4.556 nan 0.000 0.299 406 H C 2.230 177.631 175.328 0.122 0.000 1.090 406 H CA 4.330 60.487 56.048 0.182 0.000 1.332 406 H CB 0.933 30.788 29.762 0.156 0.000 1.386 406 H HN -0.212 8.350 8.280 0.470 0.000 0.516 407 C N -1.046 118.348 119.300 0.156 0.000 2.440 407 C HA -0.236 nan 4.460 nan 0.000 0.278 407 C C 1.912 176.842 174.990 -0.099 0.000 1.295 407 C CA 4.520 63.529 59.018 -0.015 0.000 1.738 407 C CB -1.445 26.277 27.740 -0.031 0.000 1.987 407 C HN 0.282 8.640 8.230 0.242 0.018 0.492 408 W N -2.312 118.956 121.300 -0.053 0.000 3.077 408 W HA -0.171 nan 4.660 nan 0.000 0.245 408 W C -1.144 175.364 176.519 -0.017 0.000 1.316 408 W CA 1.646 58.959 57.345 -0.053 0.000 1.537 408 W CB -0.363 29.060 29.460 -0.062 0.000 1.131 408 W HN -0.138 8.232 8.180 0.316 0.000 0.695 409 T N -8.201 106.427 114.554 0.123 0.000 2.887 409 T HA 0.588 nan 4.350 nan 0.000 0.292 409 T C -2.805 171.869 174.700 -0.044 0.000 1.087 409 T CA -2.380 59.765 62.100 0.074 0.000 1.009 409 T CB 3.401 72.323 68.868 0.091 0.000 1.203 409 T HN -0.668 7.533 8.240 0.061 0.076 0.518 410 C N 2.391 121.678 119.300 -0.022 0.000 2.522 410 C HA 0.440 nan 4.460 nan 0.000 0.344 410 C C -2.018 172.951 174.990 -0.035 0.000 1.104 410 C CA -1.407 57.570 59.018 -0.068 0.000 1.317 410 C CB 1.948 29.646 27.740 -0.069 0.000 1.896 410 C HN 0.445 8.695 8.230 0.032 0.000 0.443 411 D N 7.970 128.335 120.400 -0.058 0.000 2.358 411 D HA -0.029 nan 4.640 nan 0.000 0.258 411 D C -0.505 175.749 176.300 -0.076 0.000 1.223 411 D CA 0.460 54.432 54.000 -0.047 0.000 0.886 411 D CB -0.156 40.618 40.800 -0.043 0.000 1.120 411 D HN -0.054 8.263 8.370 -0.089 0.000 0.482 412 V N 1.252 121.118 119.914 -0.080 0.000 2.599 412 V HA 0.006 nan 4.120 nan 0.000 0.245 412 V C -0.311 175.666 176.094 -0.195 0.000 1.046 412 V CA 2.241 64.446 62.300 -0.160 0.000 1.065 412 V CB 0.870 32.579 31.823 -0.191 0.000 0.703 412 V HN 0.232 8.395 8.190 -0.046 0.000 0.464 413 R N -1.972 118.446 120.500 -0.137 0.000 2.533 413 R HA 0.492 nan 4.340 nan 0.000 0.288 413 R C -2.439 173.815 176.300 -0.078 0.000 1.039 413 R CA -0.540 55.485 56.100 -0.125 0.000 0.909 413 R CB 3.053 33.283 30.300 -0.116 0.000 1.195 413 R HN -0.473 7.740 8.270 -0.096 0.000 0.438 414 R N 4.635 125.089 120.500 -0.077 0.000 2.686 414 R HA 0.621 nan 4.340 nan 0.000 0.286 414 R C -1.697 174.597 176.300 -0.009 0.000 0.969 414 R CA -1.632 54.442 56.100 -0.043 0.000 0.898 414 R CB 3.683 33.943 30.300 -0.067 0.000 1.183 414 R HN 0.625 8.833 8.270 -0.102 0.000 0.456 415 R N 3.000 123.509 120.500 0.015 0.000 2.248 415 R HA -0.027 nan 4.340 nan 0.000 0.328 415 R C -0.909 175.434 176.300 0.073 0.000 1.067 415 R CA 0.577 56.702 56.100 0.041 0.000 0.924 415 R CB 0.288 30.609 30.300 0.035 0.000 1.013 415 R HN 0.645 8.808 8.270 0.012 0.114 0.454 416 G N 4.114 112.981 108.800 0.112 0.000 2.324 416 G HA2 -0.027 nan 3.960 nan 0.000 0.293 416 G HA3 -0.027 nan 3.960 nan 0.000 0.293 416 G C -2.733 172.274 174.900 0.178 0.000 1.297 416 G CA 0.150 45.331 45.100 0.135 0.000 0.853 416 G HN -0.003 8.359 8.290 0.120 0.000 0.535 417 T N -3.842 110.754 114.554 0.069 0.000 2.927 417 T HA 0.358 nan 4.350 nan 0.000 0.286 417 T C -0.806 173.602 174.700 -0.486 0.000 1.040 417 T CA -2.095 59.912 62.100 -0.155 0.000 1.010 417 T CB 2.771 71.571 68.868 -0.114 0.000 1.177 417 T HN 0.143 8.429 8.240 0.077 0.000 0.546 418 L N 1.394 122.071 121.223 -0.911 0.000 2.360 418 L HA 0.162 nan 4.340 nan 0.000 0.276 418 L C -0.864 175.797 176.870 -0.348 0.000 1.121 418 L CA 0.182 54.542 54.840 -0.800 0.000 0.845 418 L CB 0.429 42.017 42.059 -0.786 0.000 1.143 418 L HN 0.124 7.875 8.230 -0.799 0.000 0.452 419 Q N 4.255 123.911 119.800 -0.240 0.000 2.565 419 Q HA 0.235 nan 4.340 nan 0.000 0.294 419 Q C -2.152 173.577 176.000 -0.451 0.000 1.005 419 Q CA -1.738 53.865 55.803 -0.332 0.000 0.771 419 Q CB 4.141 32.646 28.738 -0.388 0.000 1.486 419 Q HN 0.040 8.232 8.270 -0.130 0.000 0.422 420 S N -1.126 114.299 115.700 -0.459 0.000 2.509 420 S HA 0.451 nan 4.470 nan 0.000 0.297 420 S C -1.148 173.193 174.600 -0.431 0.000 1.118 420 S CA -1.434 56.591 58.200 -0.292 0.000 1.074 420 S CB 0.565 63.713 63.200 -0.087 0.000 1.038 420 S HN 0.137 8.222 8.310 -0.376 0.000 0.498 421 Y N 3.470 123.976 120.300 0.343 0.000 2.499 421 Y HA 0.187 nan 4.550 nan 0.000 0.253 421 Y C -0.119 176.155 175.900 0.623 0.000 1.105 421 Y CA 0.046 58.389 58.100 0.405 0.000 1.240 421 Y CB 1.158 39.855 38.460 0.396 0.000 1.289 421 Y HN 0.956 9.420 8.280 0.307 0.000 0.534 422 L N -0.253 121.326 121.223 0.593 0.000 2.592 422 L HA 0.031 nan 4.340 nan 0.000 0.227 422 L C -0.588 176.416 176.870 0.223 0.000 1.127 422 L CA 0.117 55.196 54.840 0.399 0.000 0.884 422 L CB 0.411 42.609 42.059 0.231 0.000 1.065 422 L HN -0.460 8.040 8.230 0.450 0.000 0.457 423 D N 0.000 120.525 120.400 0.209 0.000 6.856 423 D HA 0.000 nan 4.640 nan 0.000 0.175 423 D CA 0.000 54.071 54.000 0.118 0.000 0.868 423 D CB 0.000 40.867 40.800 0.112 0.000 0.688 423 D HN 0.000 8.445 8.370 0.236 0.067 0.683