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 5jdw_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 0.000 174.960 174.990 -0.049 0.000 1.270 64 C CA 0.000 59.005 59.018 -0.022 0.000 1.963 64 C CB 0.000 27.725 27.740 -0.026 0.000 2.134 65 P HA -0.080 nan 4.420 nan 0.000 0.221 65 P C -1.282 175.850 177.300 -0.280 0.000 1.150 65 P CA 1.060 64.084 63.100 -0.127 0.000 0.800 65 P CB 0.521 32.195 31.700 -0.044 0.000 0.787 66 V N 0.525 120.257 119.914 -0.304 0.000 2.432 66 V HA 0.212 nan 4.120 nan 0.000 0.275 66 V C -0.933 175.030 176.094 -0.218 0.000 1.043 66 V CA -0.357 61.746 62.300 -0.327 0.000 0.925 66 V CB -0.053 31.587 31.823 -0.306 0.000 0.985 66 V HN -0.822 7.208 8.190 -0.220 0.028 0.466 67 S N 8.353 123.910 115.700 -0.238 0.000 2.288 67 S HA 0.151 nan 4.470 nan 0.000 0.258 67 S C -2.673 171.736 174.600 -0.318 0.000 0.919 67 S CA 0.878 58.913 58.200 -0.275 0.000 1.010 67 S CB 0.913 64.017 63.200 -0.158 0.000 1.231 67 S HN 0.912 9.072 8.310 -0.249 0.000 0.403 68 S N 6.615 122.041 115.700 -0.457 0.000 2.689 68 S HA 0.355 nan 4.470 nan 0.000 0.274 68 S C -1.131 173.219 174.600 -0.417 0.000 1.176 68 S CA -0.249 57.745 58.200 -0.343 0.000 1.014 68 S CB 1.758 64.832 63.200 -0.210 0.000 1.071 68 S HN -0.298 7.691 8.310 -0.535 0.000 0.478 69 Y N 5.282 125.555 120.300 -0.045 0.000 2.458 69 Y HA 0.103 nan 4.550 nan 0.000 0.254 69 Y C -1.283 174.585 175.900 -0.054 0.000 1.120 69 Y CA 0.028 58.136 58.100 0.014 0.000 1.282 69 Y CB 1.016 39.529 38.460 0.087 0.000 1.109 69 Y HN 0.545 8.782 8.280 -0.072 0.000 0.526 70 N N -3.992 114.629 118.700 -0.132 0.000 3.364 70 N HA 0.124 nan 4.740 nan 0.000 0.294 70 N C -0.521 174.722 175.510 -0.445 0.000 1.562 70 N CA -0.784 52.008 53.050 -0.431 0.000 0.862 70 N CB 1.112 38.900 38.487 -1.164 0.000 1.691 70 N HN -0.903 7.379 8.380 -0.164 0.000 0.572 71 E N -3.045 116.855 120.200 -0.501 0.000 2.479 71 E HA 0.036 nan 4.350 nan 0.000 0.193 71 E C -0.628 175.998 176.600 0.044 0.000 1.049 71 E CA 1.052 57.419 56.400 -0.055 0.000 0.870 71 E CB -0.178 29.658 29.700 0.226 0.000 0.944 71 E HN 0.166 8.069 8.360 -0.762 0.000 0.492 72 W N -5.268 116.040 121.300 0.013 0.000 2.661 72 W HA 0.227 nan 4.660 nan 0.000 0.288 72 W C -0.505 176.010 176.519 -0.007 0.000 1.014 72 W CA -1.137 56.195 57.345 -0.022 0.000 1.396 72 W CB 0.888 30.300 29.460 -0.080 0.000 0.963 72 W HN -0.611 7.088 8.180 -1.140 -0.203 0.584 73 D N 3.195 123.464 120.400 -0.218 0.000 2.390 73 D HA 0.113 nan 4.640 nan 0.000 0.236 73 D C -1.451 174.857 176.300 0.013 0.000 1.189 73 D CA 0.123 54.104 54.000 -0.031 0.000 0.887 73 D CB 0.066 40.825 40.800 -0.067 0.000 1.198 73 D HN -0.467 7.844 8.370 -0.559 -0.277 0.444 74 P HA -0.189 nan 4.420 nan 0.000 0.251 74 P C -1.338 175.966 177.300 0.008 0.000 1.154 74 P CA 0.744 63.860 63.100 0.027 0.000 0.805 74 P CB -0.257 31.462 31.700 0.031 0.000 0.759 75 L N 6.081 127.307 121.223 0.004 0.000 2.455 75 L HA -0.152 nan 4.340 nan 0.000 0.272 75 L C -1.085 175.784 176.870 -0.002 0.000 1.174 75 L CA 1.231 56.069 54.840 -0.003 0.000 0.869 75 L CB 0.518 42.579 42.059 0.002 0.000 1.130 75 L HN 0.271 8.507 8.230 0.010 0.000 0.474 76 E N 4.091 124.287 120.200 -0.007 0.000 2.441 76 E HA 0.197 nan 4.350 nan 0.000 0.212 76 E C -0.604 175.998 176.600 0.004 0.000 0.840 76 E CA 0.400 56.799 56.400 -0.002 0.000 1.143 76 E CB 3.006 32.702 29.700 -0.006 0.000 1.153 76 E HN 0.724 9.073 8.360 -0.017 0.000 0.539 77 E N -1.588 118.611 120.200 -0.003 0.000 2.343 77 E HA 0.699 nan 4.350 nan 0.000 0.278 77 E C -2.793 173.819 176.600 0.020 0.000 0.910 77 E CA -0.709 55.701 56.400 0.018 0.000 0.757 77 E CB 4.275 33.985 29.700 0.017 0.000 1.218 77 E HN -0.578 7.771 8.360 -0.018 0.000 0.435 78 V N 3.651 123.598 119.914 0.055 0.000 3.147 78 V HA 0.715 nan 4.120 nan 0.000 0.306 78 V C -2.391 173.764 176.094 0.102 0.000 1.209 78 V CA -1.742 60.595 62.300 0.061 0.000 1.023 78 V CB 4.611 36.467 31.823 0.055 0.000 1.059 78 V HN 0.680 8.912 8.190 0.070 0.000 0.435 79 I N 4.318 124.955 120.570 0.111 0.000 2.433 79 I HA 0.625 nan 4.170 nan 0.000 0.292 79 I C -1.628 174.579 176.117 0.151 0.000 1.001 79 I CA -1.124 60.265 61.300 0.149 0.000 1.119 79 I CB 2.771 40.883 38.000 0.187 0.000 1.289 79 I HN -0.000 8.260 8.210 0.084 0.000 0.438 80 V N 5.808 125.823 119.914 0.167 0.000 2.487 80 V HA 0.592 nan 4.120 nan 0.000 0.298 80 V C 0.276 176.513 176.094 0.239 0.000 1.028 80 V CA -2.175 60.247 62.300 0.204 0.000 0.860 80 V CB 1.973 33.898 31.823 0.170 0.000 0.991 80 V HN 0.503 8.785 8.190 0.153 0.000 0.427 81 G N 5.883 114.866 108.800 0.305 0.000 2.631 81 G HA2 0.217 nan 3.960 nan 0.000 0.271 81 G HA3 0.217 nan 3.960 nan 0.000 0.271 81 G C -1.664 173.439 174.900 0.339 0.000 1.302 81 G CA -0.142 45.105 45.100 0.244 0.000 1.002 81 G HN 0.463 8.960 8.290 0.345 0.000 0.519 82 R N -1.037 119.599 120.500 0.226 0.000 2.740 82 R HA 0.309 nan 4.340 nan 0.000 0.282 82 R C -0.870 175.588 176.300 0.264 0.000 0.969 82 R CA -1.363 54.894 56.100 0.263 0.000 0.918 82 R CB 2.873 33.281 30.300 0.180 0.000 1.175 82 R HN -0.084 8.123 8.270 0.075 0.108 0.464 83 A N 1.467 124.484 122.820 0.329 0.000 2.220 83 A HA 0.030 nan 4.320 nan 0.000 0.211 83 A C -0.654 177.086 177.584 0.259 0.000 1.176 83 A CA 0.355 52.575 52.037 0.305 0.000 0.834 83 A CB 0.425 19.630 19.000 0.341 0.000 0.868 83 A HN 0.381 8.708 8.150 0.295 0.000 0.488 84 E N -1.029 119.316 120.200 0.241 0.000 2.465 84 E HA -0.243 nan 4.350 nan 0.000 0.260 84 E C -0.818 175.992 176.600 0.351 0.000 0.980 84 E CA 0.892 57.430 56.400 0.231 0.000 0.927 84 E CB -0.095 29.709 29.700 0.173 0.000 0.934 84 E HN -0.211 8.232 8.360 0.225 0.052 0.459 85 N N -2.613 116.257 118.700 0.283 0.000 2.713 85 N HA -0.427 nan 4.740 nan 0.000 0.251 85 N C -0.990 174.980 175.510 0.765 0.000 1.117 85 N CA 0.987 54.300 53.050 0.437 0.000 0.770 85 N CB -1.479 37.277 38.487 0.447 0.000 1.137 85 N HN 0.307 8.776 8.380 0.149 0.000 0.566 86 A N -1.608 121.576 122.820 0.606 0.000 2.565 86 A HA -0.123 nan 4.320 nan 0.000 0.237 86 A C -0.896 177.127 177.584 0.731 0.000 1.053 86 A CA 0.954 53.358 52.037 0.611 0.000 0.755 86 A CB 0.622 19.939 19.000 0.529 0.000 0.980 86 A HN -0.600 7.776 8.150 0.467 0.054 0.506 87 C N 2.772 122.407 119.300 0.558 0.000 2.507 87 C HA 0.545 nan 4.460 nan 0.000 0.319 87 C C -0.228 174.794 174.990 0.052 0.000 1.208 87 C CA -0.996 58.182 59.018 0.267 0.000 1.619 87 C CB 2.355 30.203 27.740 0.180 0.000 2.230 87 C HN 0.179 8.567 8.230 0.443 0.108 0.492 88 V N 8.029 127.697 119.914 -0.409 0.000 2.479 88 V HA 0.180 nan 4.120 nan 0.000 0.281 88 V C -1.678 174.322 176.094 -0.156 0.000 1.031 88 V CA -1.954 59.965 62.300 -0.634 0.000 1.038 88 V CB 0.415 31.680 31.823 -0.931 0.000 0.981 88 V HN 1.038 9.001 8.190 -0.379 0.000 0.478 89 P HA 0.375 nan 4.420 nan 0.000 0.271 89 P C -2.543 174.771 177.300 0.023 0.000 1.218 89 P CA -2.202 60.937 63.100 0.065 0.000 0.780 89 P CB -0.534 31.235 31.700 0.114 0.000 0.901 90 P HA -0.016 nan 4.420 nan 0.000 0.268 90 P C -1.576 175.699 177.300 -0.043 0.000 1.208 90 P CA 0.117 63.183 63.100 -0.058 0.000 0.777 90 P CB 0.500 32.133 31.700 -0.111 0.000 0.875 91 F N 3.220 123.067 119.950 -0.172 0.000 2.619 91 F HA 0.030 nan 4.527 nan 0.000 0.350 91 F C -0.676 174.943 175.800 -0.301 0.000 1.259 91 F CA -0.543 57.319 58.000 -0.230 0.000 1.204 91 F CB -0.343 38.583 39.000 -0.123 0.000 1.556 91 F HN 0.202 8.585 8.300 0.139 0.000 0.650 92 T N 3.556 117.724 114.554 -0.643 0.000 2.948 92 T HA 0.320 nan 4.350 nan 0.000 0.285 92 T C 0.756 174.935 174.700 -0.869 0.000 1.019 92 T CA -2.242 59.456 62.100 -0.670 0.000 1.013 92 T CB 2.676 71.199 68.868 -0.576 0.000 1.117 92 T HN -0.222 7.651 8.240 -0.612 0.000 0.533 93 I N 2.018 122.162 120.570 -0.709 0.000 2.185 93 I HA -0.376 nan 4.170 nan 0.000 0.246 93 I C 0.741 176.484 176.117 -0.623 0.000 1.088 93 I CA 2.548 63.472 61.300 -0.627 0.000 1.347 93 I CB 0.016 37.767 38.000 -0.415 0.000 1.041 93 I HN 0.323 8.174 8.210 -0.598 0.000 0.415 94 E N -1.383 118.389 120.200 -0.713 0.000 2.208 94 E HA -0.243 nan 4.350 nan 0.000 0.193 94 E C 1.951 178.091 176.600 -0.767 0.000 0.988 94 E CA 2.795 58.824 56.400 -0.619 0.000 0.828 94 E CB -0.993 28.354 29.700 -0.588 0.000 0.763 94 E HN 0.285 8.147 8.360 -0.829 0.000 0.478 95 V N 2.044 121.333 119.914 -1.041 0.000 2.323 95 V HA -0.344 nan 4.120 nan 0.000 0.244 95 V C 2.089 177.810 176.094 -0.621 0.000 1.041 95 V CA 3.820 65.483 62.300 -1.061 0.000 1.025 95 V CB -0.727 30.508 31.823 -0.980 0.000 0.656 95 V HN -0.394 7.076 8.190 -1.019 0.109 0.451 96 K N 0.042 119.945 120.400 -0.829 0.000 2.063 96 K HA -0.356 nan 4.320 nan 0.000 0.208 96 K C 2.248 178.664 176.600 -0.306 0.000 1.048 96 K CA 3.414 59.213 56.287 -0.813 0.000 0.928 96 K CB -0.161 31.581 32.500 -1.265 0.000 0.713 96 K HN -0.049 7.567 8.250 -1.056 0.000 0.442 97 A N -4.441 118.242 122.820 -0.228 0.000 2.235 97 A HA -0.027 nan 4.320 nan 0.000 0.208 97 A C 0.228 177.875 177.584 0.106 0.000 1.172 97 A CA 1.659 53.706 52.037 0.018 0.000 0.786 97 A CB -0.451 18.538 19.000 -0.018 0.000 0.804 97 A HN -0.268 7.663 8.150 -0.364 0.000 0.479 98 N N -4.397 114.373 118.700 0.117 0.000 2.238 98 N HA 0.198 nan 4.740 nan 0.000 0.235 98 N C -1.988 173.686 175.510 0.274 0.000 1.209 98 N CA -0.468 52.718 53.050 0.227 0.000 0.879 98 N CB 1.953 40.701 38.487 0.435 0.000 1.136 98 N HN -0.392 7.802 8.380 0.013 0.193 0.517 99 T N -5.317 109.433 114.554 0.328 0.000 2.883 99 T HA 0.316 nan 4.350 nan 0.000 0.301 99 T C -1.071 173.919 174.700 0.483 0.000 1.158 99 T CA -1.901 60.479 62.100 0.468 0.000 1.007 99 T CB 2.840 72.058 68.868 0.584 0.000 1.186 99 T HN -0.928 7.526 8.240 0.357 0.000 0.499 100 Y N 1.532 122.101 120.300 0.449 0.000 2.359 100 Y HA -0.050 nan 4.550 nan 0.000 0.330 100 Y C 1.398 177.122 175.900 -0.294 0.000 1.143 100 Y CA 0.363 58.559 58.100 0.159 0.000 1.318 100 Y CB 0.804 39.402 38.460 0.230 0.000 1.234 100 Y HN 0.326 9.050 8.280 0.740 0.000 0.522 101 E N 5.126 124.877 120.200 -0.748 0.000 2.169 101 E HA -0.520 nan 4.350 nan 0.000 0.202 101 E C 2.249 178.461 176.600 -0.648 0.000 1.016 101 E CA 3.835 59.365 56.400 -1.449 0.000 0.817 101 E CB -0.412 28.731 29.700 -0.928 0.000 0.736 101 E HN 0.655 8.719 8.360 -0.493 0.000 0.462 102 K N -0.989 119.180 120.400 -0.385 0.000 2.160 102 K HA -0.278 nan 4.320 nan 0.000 0.206 102 K C 0.983 177.344 176.600 -0.399 0.000 1.047 102 K CA 2.451 58.481 56.287 -0.428 0.000 0.930 102 K CB -0.335 31.793 32.500 -0.621 0.000 0.720 102 K HN 0.096 8.150 8.250 -0.287 0.024 0.450 103 Y N -6.273 114.106 120.300 0.132 0.000 2.462 103 Y HA 0.115 nan 4.550 nan 0.000 0.261 103 Y C 0.845 177.076 175.900 0.551 0.000 1.146 103 Y CA 0.066 58.386 58.100 0.367 0.000 1.283 103 Y CB -0.120 38.669 38.460 0.548 0.000 1.090 103 Y HN -0.108 8.048 8.280 0.035 0.144 0.526 104 W N -0.184 121.307 121.300 0.318 0.000 2.321 104 W HA -0.134 nan 4.660 nan 0.000 0.306 104 W C -0.607 175.750 176.519 -0.269 0.000 1.217 104 W CA 2.913 60.235 57.345 -0.038 0.000 1.257 104 W CB -2.958 26.537 29.460 0.058 0.000 1.145 104 W HN -0.304 7.883 8.180 0.221 0.126 0.509 105 P HA -0.067 nan 4.420 nan 0.000 0.226 105 P C 1.089 178.410 177.300 0.035 0.000 1.153 105 P CA 2.325 65.449 63.100 0.040 0.000 0.777 105 P CB -0.572 31.172 31.700 0.074 0.000 0.794 106 F N 1.542 121.488 119.950 -0.006 0.000 2.084 106 F HA -0.357 nan 4.527 nan 0.000 0.296 106 F C 0.971 176.637 175.800 -0.224 0.000 1.111 106 F CA 3.945 61.893 58.000 -0.087 0.000 1.224 106 F CB 0.148 39.147 39.000 -0.001 0.000 0.991 106 F HN -0.475 7.885 8.300 0.353 0.152 0.471 107 Y N -1.718 118.471 120.300 -0.185 0.000 2.181 107 Y HA -0.547 nan 4.550 nan 0.000 0.288 107 Y C 2.631 178.302 175.900 -0.382 0.000 1.146 107 Y CA 4.438 62.335 58.100 -0.337 0.000 1.164 107 Y CB -0.500 37.860 38.460 -0.167 0.000 0.982 107 Y HN -0.302 8.112 8.280 0.224 0.000 0.515 108 Q N -1.813 117.793 119.800 -0.323 0.000 2.096 108 Q HA -0.346 nan 4.340 nan 0.000 0.204 108 Q C 1.657 177.579 176.000 -0.130 0.000 0.982 108 Q CA 2.805 58.488 55.803 -0.200 0.000 0.850 108 Q CB -0.117 28.507 28.738 -0.190 0.000 0.901 108 Q HN -0.038 7.976 8.270 -0.426 0.000 0.422 109 K N -2.956 117.332 120.400 -0.186 0.000 2.128 109 K HA -0.050 nan 4.320 nan 0.000 0.202 109 K C 1.642 178.098 176.600 -0.240 0.000 1.050 109 K CA 1.610 57.792 56.287 -0.175 0.000 0.966 109 K CB 0.348 32.752 32.500 -0.159 0.000 0.759 109 K HN -0.590 7.529 8.250 -0.219 0.000 0.454 110 Q N -3.434 116.093 119.800 -0.455 0.000 2.424 110 Q HA 0.027 nan 4.340 nan 0.000 0.204 110 Q C 1.608 177.482 176.000 -0.210 0.000 0.933 110 Q CA -0.653 54.843 55.803 -0.511 0.000 0.929 110 Q CB 0.379 28.460 28.738 -1.094 0.000 1.037 110 Q HN 0.230 8.044 8.270 -0.583 0.106 0.511 111 G N -0.387 108.284 108.800 -0.215 0.000 2.138 111 G HA2 -0.361 nan 3.960 nan 0.000 0.244 111 G HA3 -0.361 nan 3.960 nan 0.000 0.244 111 G C -0.105 174.702 174.900 -0.154 0.000 1.166 111 G CA 1.359 46.374 45.100 -0.142 0.000 0.902 111 G HN -0.367 7.737 8.290 -0.243 0.040 0.460 112 G N 5.306 113.979 108.800 -0.211 0.000 2.199 112 G HA2 -0.378 nan 3.960 nan 0.000 0.254 112 G HA3 -0.378 nan 3.960 nan 0.000 0.254 112 G C -0.591 174.052 174.900 -0.429 0.000 0.982 112 G CA 0.131 45.048 45.100 -0.305 0.000 0.632 112 G HN 0.572 8.641 8.290 -0.188 0.108 0.529 113 H N -0.340 118.552 119.070 -0.296 0.000 2.630 113 H HA 0.277 nan 4.556 nan 0.000 0.343 113 H C -1.032 174.111 175.328 -0.307 0.000 1.232 113 H CA -1.250 54.620 56.048 -0.297 0.000 1.294 113 H CB 1.717 31.349 29.762 -0.216 0.000 1.746 113 H HN -0.190 7.941 8.280 -0.137 0.067 0.593 114 Y N -3.054 117.288 120.300 0.071 0.000 2.326 114 Y HA -0.053 nan 4.550 nan 0.000 0.333 114 Y C 0.112 176.008 175.900 -0.007 0.000 1.240 114 Y CA 0.708 58.853 58.100 0.075 0.000 1.365 114 Y CB 0.568 39.112 38.460 0.141 0.000 1.289 114 Y HN 0.072 8.429 8.280 0.129 0.000 0.548 115 F N 3.779 123.840 119.950 0.186 0.000 2.490 115 F HA -0.045 nan 4.527 nan 0.000 0.336 115 F C -1.071 174.773 175.800 0.075 0.000 1.178 115 F CA -0.044 57.949 58.000 -0.012 0.000 1.301 115 F CB -0.176 38.777 39.000 -0.078 0.000 1.175 115 F HN -0.243 8.413 8.300 0.594 0.000 0.593 116 P HA -0.049 nan 4.420 nan 0.000 0.253 116 P C -0.141 177.328 177.300 0.281 0.000 1.159 116 P CA 0.336 63.588 63.100 0.254 0.000 0.779 116 P CB 0.014 31.906 31.700 0.320 0.000 0.745 117 K N 5.155 125.677 120.400 0.203 0.000 2.211 117 K HA -0.416 nan 4.320 nan 0.000 0.204 117 K C 1.294 177.990 176.600 0.159 0.000 1.047 117 K CA 4.080 60.461 56.287 0.156 0.000 0.935 117 K CB -0.279 32.267 32.500 0.077 0.000 0.728 117 K HN 0.640 8.995 8.250 0.176 0.000 0.452 118 D N -4.608 115.893 120.400 0.169 0.000 2.178 118 D HA -0.209 nan 4.640 nan 0.000 0.202 118 D C 2.409 178.811 176.300 0.170 0.000 0.974 118 D CA 2.906 56.990 54.000 0.140 0.000 0.841 118 D CB -0.895 39.982 40.800 0.129 0.000 0.953 118 D HN 0.401 8.853 8.370 0.175 0.022 0.478 119 H N 1.273 120.449 119.070 0.176 0.000 2.403 119 H HA -0.092 nan 4.556 nan 0.000 0.298 119 H C 1.735 177.175 175.328 0.186 0.000 1.059 119 H CA 2.966 59.140 56.048 0.211 0.000 1.363 119 H CB 0.626 30.602 29.762 0.358 0.000 1.410 119 H HN -0.620 7.771 8.280 0.383 0.119 0.528 120 L N -1.056 120.384 121.223 0.361 0.000 2.046 120 L HA -0.453 nan 4.340 nan 0.000 0.208 120 L C 1.599 178.563 176.870 0.158 0.000 1.077 120 L CA 3.169 58.170 54.840 0.268 0.000 0.747 120 L CB -0.335 41.862 42.059 0.231 0.000 0.896 120 L HN 0.186 8.552 8.230 0.360 0.079 0.432 121 K N -0.883 119.586 120.400 0.116 0.000 2.097 121 K HA -0.394 nan 4.320 nan 0.000 0.206 121 K C 2.339 178.955 176.600 0.027 0.000 1.049 121 K CA 3.558 59.882 56.287 0.061 0.000 0.933 121 K CB -0.279 32.252 32.500 0.050 0.000 0.717 121 K HN -0.014 8.309 8.250 0.136 0.009 0.442 122 K N -1.738 118.667 120.400 0.007 0.000 2.097 122 K HA -0.255 nan 4.320 nan 0.000 0.205 122 K C 2.219 178.787 176.600 -0.053 0.000 1.050 122 K CA 2.895 59.154 56.287 -0.046 0.000 0.938 122 K CB -0.125 32.307 32.500 -0.113 0.000 0.718 122 K HN -0.783 7.481 8.250 0.023 0.000 0.442 123 A N 0.019 122.832 122.820 -0.012 0.000 1.902 123 A HA -0.189 nan 4.320 nan 0.000 0.217 123 A C 2.187 179.720 177.584 -0.084 0.000 1.181 123 A CA 3.151 55.165 52.037 -0.039 0.000 0.623 123 A CB -0.763 18.295 19.000 0.097 0.000 0.818 123 A HN -0.410 7.690 8.150 0.042 0.075 0.443 124 V N -0.861 119.049 119.914 -0.007 0.000 2.282 124 V HA -0.535 nan 4.120 nan 0.000 0.249 124 V C 1.997 178.065 176.094 -0.043 0.000 1.057 124 V CA 4.415 66.711 62.300 -0.005 0.000 1.032 124 V CB -1.264 30.578 31.823 0.032 0.000 0.645 124 V HN 0.161 8.374 8.190 0.039 0.000 0.447 125 A N -1.872 120.923 122.820 -0.041 0.000 1.877 125 A HA -0.405 nan 4.320 nan 0.000 0.216 125 A C 2.048 179.588 177.584 -0.075 0.000 1.186 125 A CA 3.457 55.466 52.037 -0.047 0.000 0.620 125 A CB -0.869 18.108 19.000 -0.038 0.000 0.822 125 A HN -0.423 7.710 8.150 -0.028 0.000 0.443 126 E N -0.919 119.215 120.200 -0.109 0.000 2.058 126 E HA -0.369 nan 4.350 nan 0.000 0.194 126 E C 2.687 179.181 176.600 -0.175 0.000 0.997 126 E CA 3.025 59.340 56.400 -0.142 0.000 0.801 126 E CB -0.075 29.511 29.700 -0.190 0.000 0.746 126 E HN -0.431 7.866 8.360 -0.106 0.000 0.450 127 I N -1.260 119.162 120.570 -0.247 0.000 2.315 127 I HA -0.361 nan 4.170 nan 0.000 0.248 127 I C 2.282 178.334 176.117 -0.108 0.000 1.117 127 I CA 2.230 63.373 61.300 -0.262 0.000 1.404 127 I CB -1.461 36.311 38.000 -0.380 0.000 1.071 127 I HN 0.238 8.294 8.210 -0.256 0.000 0.419 128 E N -0.307 119.850 120.200 -0.072 0.000 2.077 128 E HA -0.350 nan 4.350 nan 0.000 0.193 128 E C 2.792 179.376 176.600 -0.027 0.000 0.989 128 E CA 3.038 59.420 56.400 -0.031 0.000 0.800 128 E CB -0.843 28.844 29.700 -0.022 0.000 0.746 128 E HN -0.111 8.199 8.360 -0.083 0.000 0.452 129 E N 0.207 120.385 120.200 -0.038 0.000 2.077 129 E HA -0.238 nan 4.350 nan 0.000 0.193 129 E C 2.155 178.745 176.600 -0.017 0.000 0.989 129 E CA 2.257 58.641 56.400 -0.027 0.000 0.800 129 E CB -0.527 29.153 29.700 -0.032 0.000 0.746 129 E HN -0.481 7.847 8.360 -0.053 0.000 0.452 130 M N 0.125 119.714 119.600 -0.018 0.000 2.108 130 M HA -0.386 nan 4.480 nan 0.000 0.261 130 M C 1.976 178.286 176.300 0.017 0.000 1.066 130 M CA 4.005 59.315 55.300 0.017 0.000 1.107 130 M CB 0.016 32.635 32.600 0.032 0.000 1.356 130 M HN -0.319 7.870 8.290 -0.045 0.073 0.406 131 C N -1.176 118.130 119.300 0.009 0.000 2.425 131 C HA -0.413 nan 4.460 nan 0.000 0.277 131 C C 2.079 177.076 174.990 0.011 0.000 1.280 131 C CA 4.108 63.138 59.018 0.020 0.000 1.744 131 C CB -2.186 25.568 27.740 0.023 0.000 1.989 131 C HN 0.314 8.468 8.230 -0.006 0.073 0.491 132 N N 0.624 119.326 118.700 0.002 0.000 2.069 132 N HA -0.263 nan 4.740 nan 0.000 0.191 132 N C 2.081 177.588 175.510 -0.005 0.000 1.031 132 N CA 3.210 56.258 53.050 -0.002 0.000 0.852 132 N CB -0.539 37.944 38.487 -0.007 0.000 1.018 132 N HN -0.232 8.064 8.380 -0.002 0.082 0.423 133 I N 0.279 120.843 120.570 -0.010 0.000 2.226 133 I HA -0.496 nan 4.170 nan 0.000 0.245 133 I C 1.685 177.791 176.117 -0.018 0.000 1.100 133 I CA 4.056 65.344 61.300 -0.019 0.000 1.374 133 I CB -0.164 37.817 38.000 -0.031 0.000 1.057 133 I HN 0.132 8.337 8.210 -0.008 0.000 0.413 134 L N -0.683 120.535 121.223 -0.007 0.000 2.017 134 L HA -0.503 nan 4.340 nan 0.000 0.208 134 L C 2.146 179.016 176.870 0.001 0.000 1.073 134 L CA 3.613 58.452 54.840 -0.002 0.000 0.745 134 L CB -0.581 41.489 42.059 0.018 0.000 0.894 134 L HN -0.070 8.160 8.230 0.000 0.000 0.432 135 K N -1.452 118.951 120.400 0.006 0.000 2.097 135 K HA -0.335 nan 4.320 nan 0.000 0.206 135 K C 3.191 179.791 176.600 0.000 0.000 1.049 135 K CA 3.545 59.836 56.287 0.006 0.000 0.933 135 K CB -0.411 32.094 32.500 0.008 0.000 0.717 135 K HN -0.089 8.166 8.250 0.008 0.000 0.442 136 T N 2.108 116.659 114.554 -0.005 0.000 2.821 136 T HA -0.156 nan 4.350 nan 0.000 0.267 136 T C 1.400 176.093 174.700 -0.012 0.000 1.046 136 T CA 3.468 65.562 62.100 -0.009 0.000 1.139 136 T CB -0.404 68.456 68.868 -0.014 0.000 0.871 136 T HN -0.240 7.899 8.240 -0.006 0.097 0.454 137 E N -1.672 118.519 120.200 -0.015 0.000 2.485 137 E HA 0.084 nan 4.350 nan 0.000 0.194 137 E C 0.614 177.209 176.600 -0.009 0.000 1.098 137 E CA -0.671 55.718 56.400 -0.018 0.000 0.878 137 E CB -0.456 29.227 29.700 -0.028 0.000 0.939 137 E HN -0.231 8.025 8.360 -0.016 0.095 0.503 138 G N -1.616 107.182 108.800 -0.004 0.000 2.147 138 G HA2 -0.463 nan 3.960 nan 0.000 0.244 138 G HA3 -0.463 nan 3.960 nan 0.000 0.244 138 G C -0.844 174.060 174.900 0.006 0.000 1.005 138 G CA 0.546 45.647 45.100 0.002 0.000 0.713 138 G HN -0.341 7.726 8.290 -0.004 0.220 0.515 139 V N 0.371 120.289 119.914 0.008 0.000 2.427 139 V HA 0.156 nan 4.120 nan 0.000 0.286 139 V C 0.084 176.192 176.094 0.023 0.000 1.034 139 V CA -0.876 61.432 62.300 0.014 0.000 0.893 139 V CB 0.850 32.681 31.823 0.014 0.000 0.982 139 V HN -0.407 7.787 8.190 0.005 0.000 0.452 140 T N 9.530 124.103 114.554 0.030 0.000 2.779 140 T HA 0.118 nan 4.350 nan 0.000 0.296 140 T C -1.173 173.560 174.700 0.055 0.000 0.938 140 T CA 0.571 62.696 62.100 0.042 0.000 1.119 140 T CB -0.178 68.720 68.868 0.051 0.000 0.891 140 T HN 0.482 8.637 8.240 0.027 0.101 0.526 141 V N 6.199 126.145 119.914 0.053 0.000 2.435 141 V HA 0.510 nan 4.120 nan 0.000 0.290 141 V C -0.683 175.451 176.094 0.067 0.000 1.030 141 V CA -0.872 61.466 62.300 0.063 0.000 0.881 141 V CB 0.984 32.839 31.823 0.054 0.000 0.983 141 V HN 0.443 8.659 8.190 0.043 0.000 0.445 142 R N 5.989 126.541 120.500 0.086 0.000 2.711 142 R HA 0.475 nan 4.340 nan 0.000 0.284 142 R C -1.803 174.546 176.300 0.082 0.000 0.968 142 R CA -2.000 54.144 56.100 0.073 0.000 0.924 142 R CB 2.575 32.927 30.300 0.086 0.000 1.162 142 R HN 0.397 8.728 8.270 0.102 0.000 0.465 143 R N 1.354 121.887 120.500 0.056 0.000 2.750 143 R HA 0.599 nan 4.340 nan 0.000 0.281 143 R C -2.630 173.676 176.300 0.011 0.000 0.972 143 R CA -3.611 52.525 56.100 0.059 0.000 0.912 143 R CB 1.004 31.335 30.300 0.052 0.000 1.187 143 R HN 0.255 8.544 8.270 0.030 0.000 0.464 144 P HA 0.272 nan 4.420 nan 0.000 0.274 144 P C -1.037 176.203 177.300 -0.099 0.000 1.256 144 P CA -0.648 62.340 63.100 -0.187 0.000 0.795 144 P CB 1.034 32.413 31.700 -0.535 0.000 1.038 145 D N 0.296 120.630 120.400 -0.110 0.000 2.362 145 D HA 0.250 nan 4.640 nan 0.000 0.242 145 D C -1.470 174.809 176.300 -0.036 0.000 1.132 145 D CA -0.876 53.087 54.000 -0.063 0.000 0.907 145 D CB -0.486 40.270 40.800 -0.072 0.000 1.195 145 D HN -0.162 8.113 8.370 -0.159 0.000 0.429 146 P HA 0.152 nan 4.420 nan 0.000 0.281 146 P C -1.137 176.115 177.300 -0.081 0.000 1.252 146 P CA -0.126 62.975 63.100 0.002 0.000 0.778 146 P CB 0.664 32.367 31.700 0.004 0.000 0.895 147 I N 2.412 122.896 120.570 -0.144 0.000 2.722 147 I HA 0.043 nan 4.170 nan 0.000 0.295 147 I C -1.732 174.077 176.117 -0.513 0.000 1.161 147 I CA -1.029 60.017 61.300 -0.424 0.000 1.032 147 I CB 4.466 42.008 38.000 -0.765 0.000 1.244 147 I HN -0.035 8.167 8.210 -0.013 0.000 0.421 148 D N 5.517 125.699 120.400 -0.363 0.000 2.352 148 D HA -0.006 nan 4.640 nan 0.000 0.245 148 D C 0.318 176.465 176.300 -0.255 0.000 1.224 148 D CA -0.993 52.916 54.000 -0.152 0.000 0.879 148 D CB -0.390 40.400 40.800 -0.016 0.000 1.057 148 D HN 0.221 8.404 8.370 -0.312 0.000 0.491 149 W N 4.960 126.380 121.300 0.200 0.000 3.077 149 W HA -0.114 nan 4.660 nan 0.000 0.245 149 W C 0.220 176.788 176.519 0.081 0.000 1.316 149 W CA 0.743 58.190 57.345 0.169 0.000 1.537 149 W CB -0.584 29.005 29.460 0.216 0.000 1.131 149 W HN 0.020 8.330 8.180 0.218 0.000 0.695 150 S N -1.446 114.324 115.700 0.117 0.000 2.527 150 S HA -0.178 nan 4.470 nan 0.000 0.222 150 S C 0.232 174.807 174.600 -0.041 0.000 0.985 150 S CA 1.637 59.794 58.200 -0.071 0.000 0.921 150 S CB 0.041 63.063 63.200 -0.298 0.000 0.772 150 S HN -0.540 8.057 8.310 0.125 -0.213 0.529 151 L N 2.919 124.148 121.223 0.009 0.000 2.578 151 L HA -0.162 nan 4.340 nan 0.000 0.279 151 L C -1.289 175.591 176.870 0.016 0.000 1.227 151 L CA 0.175 55.018 54.840 0.004 0.000 0.900 151 L CB 1.050 43.112 42.059 0.004 0.000 1.144 151 L HN -0.836 7.358 8.230 0.025 0.051 0.496 152 K N 6.786 127.154 120.400 -0.054 0.000 2.253 152 K HA 0.256 nan 4.320 nan 0.000 0.277 152 K C -1.124 175.427 176.600 -0.082 0.000 1.053 152 K CA -0.951 55.247 56.287 -0.149 0.000 0.892 152 K CB 0.751 33.166 32.500 -0.142 0.000 1.102 152 K HN -0.088 8.128 8.250 -0.055 0.000 0.469 153 Y N 4.110 124.412 120.300 0.004 0.000 2.568 153 Y HA 0.423 nan 4.550 nan 0.000 0.327 153 Y C -2.327 173.540 175.900 -0.055 0.000 1.163 153 Y CA -2.743 55.334 58.100 -0.037 0.000 1.219 153 Y CB 2.513 40.963 38.460 -0.017 0.000 1.308 153 Y HN 0.758 8.544 8.280 -0.823 0.000 0.503 154 K N 0.801 121.268 120.400 0.111 0.000 2.581 154 K HA 0.393 nan 4.320 nan 0.000 0.249 154 K C -1.382 175.129 176.600 -0.148 0.000 0.966 154 K CA -0.922 55.318 56.287 -0.078 0.000 0.811 154 K CB 2.466 34.918 32.500 -0.079 0.000 1.223 154 K HN -0.025 8.311 8.250 0.144 0.000 0.438 155 T N 2.280 116.585 114.554 -0.414 0.000 2.937 155 T HA 0.568 nan 4.350 nan 0.000 0.283 155 T C -0.810 173.720 174.700 -0.284 0.000 1.012 155 T CA -3.295 58.561 62.100 -0.407 0.000 0.997 155 T CB -0.323 68.077 68.868 -0.781 0.000 1.136 155 T HN 0.783 8.626 8.240 -0.662 0.000 0.551 156 P HA 0.045 nan 4.420 nan 0.000 0.234 156 P C -0.931 176.330 177.300 -0.065 0.000 1.167 156 P CA 1.368 64.415 63.100 -0.088 0.000 0.763 156 P CB 0.270 31.946 31.700 -0.040 0.000 0.835 157 D N -3.530 116.812 120.400 -0.097 0.000 2.422 157 D HA 0.171 nan 4.640 nan 0.000 0.218 157 D C -0.634 175.765 176.300 0.165 0.000 1.047 157 D CA 1.278 55.316 54.000 0.063 0.000 0.885 157 D CB 2.818 43.742 40.800 0.207 0.000 1.035 157 D HN -0.117 8.031 8.370 -0.232 0.083 0.502 158 F N -5.852 114.077 119.950 -0.034 0.000 2.858 158 F HA 0.374 nan 4.527 nan 0.000 0.319 158 F C -3.320 172.456 175.800 -0.041 0.000 1.166 158 F CA -1.314 56.663 58.000 -0.038 0.000 0.899 158 F CB 1.364 40.348 39.000 -0.027 0.000 1.332 158 F HN -0.816 7.187 8.300 -0.495 0.000 0.461 159 E N -0.632 119.638 120.200 0.116 0.000 2.272 159 E HA 0.700 nan 4.350 nan 0.000 0.269 159 E C -2.100 174.525 176.600 0.042 0.000 0.877 159 E CA -1.392 54.992 56.400 -0.027 0.000 0.755 159 E CB 2.964 32.629 29.700 -0.059 0.000 1.192 159 E HN -0.010 8.498 8.360 0.248 0.000 0.422 160 S N 3.049 118.618 115.700 -0.218 0.000 2.611 160 S HA 0.331 nan 4.470 nan 0.000 0.268 160 S C -2.422 171.791 174.600 -0.644 0.000 1.156 160 S CA -0.596 57.426 58.200 -0.297 0.000 0.817 160 S CB 2.759 65.932 63.200 -0.046 0.000 1.122 160 S HN 0.624 8.676 8.310 -0.430 0.000 0.466 161 T N -1.565 112.793 114.554 -0.326 0.000 2.944 161 T HA 0.775 nan 4.350 nan 0.000 0.284 161 T C 0.070 174.799 174.700 0.047 0.000 1.010 161 T CA -1.958 60.026 62.100 -0.192 0.000 1.025 161 T CB 1.883 70.675 68.868 -0.127 0.000 1.079 161 T HN -0.053 8.068 8.240 -0.199 0.000 0.516 162 G N 0.505 109.495 108.800 0.316 0.000 2.543 162 G HA2 0.538 nan 3.960 nan 0.000 0.290 162 G HA3 0.538 nan 3.960 nan 0.000 0.290 162 G C -2.127 172.964 174.900 0.317 0.000 1.310 162 G CA -0.587 44.837 45.100 0.540 0.000 1.025 162 G HN -0.104 8.363 8.290 0.294 0.000 0.502 163 L N -1.938 119.360 121.223 0.126 0.000 3.211 163 L HA 0.535 nan 4.340 nan 0.000 0.175 163 L C -1.503 175.069 176.870 -0.497 0.000 1.378 163 L CA -0.634 54.091 54.840 -0.193 0.000 0.987 163 L CB 2.960 44.792 42.059 -0.378 0.000 1.457 163 L HN -0.180 8.128 8.230 0.129 0.000 0.628 164 Y N -8.145 111.591 120.300 -0.939 0.000 2.895 164 Y HA 0.336 nan 4.550 nan 0.000 0.339 164 Y C -2.190 173.014 175.900 -1.161 0.000 1.363 164 Y CA -2.095 55.212 58.100 -1.322 0.000 1.085 164 Y CB 0.751 38.951 38.460 -0.433 0.000 1.500 164 Y HN -0.748 6.950 8.280 -0.969 0.000 0.442 165 S N -1.161 114.397 115.700 -0.237 0.000 2.668 165 S HA 0.267 nan 4.470 nan 0.000 0.244 165 S C 0.766 175.279 174.600 -0.145 0.000 1.140 165 S CA -2.054 56.128 58.200 -0.030 0.000 1.134 165 S CB 0.659 63.908 63.200 0.082 0.000 0.954 165 S HN 0.461 8.713 8.310 -0.097 0.000 0.490 166 A N 1.938 124.381 122.820 -0.628 0.000 1.930 166 A HA -0.027 nan 4.320 nan 0.000 0.215 166 A C -0.837 176.116 177.584 -1.052 0.000 1.176 166 A CA 2.420 53.776 52.037 -1.135 0.000 0.632 166 A CB 0.160 17.961 19.000 -1.998 0.000 0.819 166 A HN 0.030 7.662 8.150 -0.753 0.066 0.445 167 M N -4.520 114.650 119.600 -0.717 0.000 2.208 167 M HA 0.395 nan 4.480 nan 0.000 0.352 167 M C -1.963 174.213 176.300 -0.208 0.000 1.137 167 M CA -4.200 50.812 55.300 -0.481 0.000 1.091 167 M CB -1.361 30.988 32.600 -0.418 0.000 1.309 167 M HN -0.351 7.602 8.290 -0.563 0.000 0.408 168 P HA -0.134 nan 4.420 nan 0.000 0.220 168 P C 0.789 177.947 177.300 -0.236 0.000 1.148 168 P CA 2.156 65.157 63.100 -0.166 0.000 0.803 168 P CB -0.040 31.650 31.700 -0.017 0.000 0.782 169 R N -3.080 117.295 120.500 -0.208 0.000 2.152 169 R HA -0.277 nan 4.340 nan 0.000 0.232 169 R C 0.683 176.852 176.300 -0.219 0.000 1.117 169 R CA 2.546 58.517 56.100 -0.215 0.000 0.981 169 R CB -0.590 29.564 30.300 -0.243 0.000 0.870 169 R HN -0.633 7.504 8.270 -0.192 0.018 0.451 170 D N -2.897 117.344 120.400 -0.265 0.000 2.224 170 D HA -0.050 nan 4.640 nan 0.000 0.205 170 D C 1.062 177.272 176.300 -0.152 0.000 0.965 170 D CA 2.944 56.786 54.000 -0.264 0.000 0.852 170 D CB 0.665 41.328 40.800 -0.227 0.000 0.947 170 D HN -0.526 7.543 8.370 -0.259 0.146 0.494 171 I N -2.852 117.603 120.570 -0.191 0.000 3.883 171 I HA 0.178 nan 4.170 nan 0.000 0.305 171 I C -1.882 174.110 176.117 -0.208 0.000 1.247 171 I CA 0.480 61.661 61.300 -0.198 0.000 1.350 171 I CB 2.065 39.935 38.000 -0.216 0.000 1.194 171 I HN -0.725 7.208 8.210 -0.235 0.136 0.441 172 L N -1.927 119.151 121.223 -0.242 0.000 2.334 172 L HA 0.576 nan 4.340 nan 0.000 0.276 172 L C -1.712 175.092 176.870 -0.111 0.000 1.014 172 L CA -0.895 53.836 54.840 -0.181 0.000 0.815 172 L CB 2.274 44.192 42.059 -0.235 0.000 1.268 172 L HN -0.271 7.793 8.230 -0.276 0.000 0.428 173 I N 0.780 121.309 120.570 -0.069 0.000 2.686 173 I HA 0.367 nan 4.170 nan 0.000 0.295 173 I C -2.585 173.496 176.117 -0.060 0.000 1.114 173 I CA -1.981 59.288 61.300 -0.052 0.000 1.038 173 I CB 4.488 42.468 38.000 -0.034 0.000 1.238 173 I HN 0.151 8.326 8.210 -0.058 0.000 0.420 174 V N 7.250 127.117 119.914 -0.077 0.000 2.384 174 V HA 0.602 nan 4.120 nan 0.000 0.287 174 V C -1.562 174.448 176.094 -0.139 0.000 1.020 174 V CA -0.831 61.406 62.300 -0.105 0.000 0.850 174 V CB 1.107 32.851 31.823 -0.132 0.000 0.987 174 V HN 0.186 8.334 8.190 -0.071 0.000 0.436 175 V N 6.923 126.741 119.914 -0.160 0.000 2.349 175 V HA 0.574 nan 4.120 nan 0.000 0.284 175 V C 0.460 176.436 176.094 -0.197 0.000 1.014 175 V CA -1.763 60.391 62.300 -0.244 0.000 0.826 175 V CB 0.131 31.718 31.823 -0.394 0.000 1.009 175 V HN 0.494 8.613 8.190 -0.118 0.000 0.431 176 G N 8.253 116.871 108.800 -0.303 0.000 2.561 176 G HA2 -0.454 nan 3.960 nan 0.000 0.289 176 G HA3 -0.454 nan 3.960 nan 0.000 0.289 176 G C -0.327 174.404 174.900 -0.281 0.000 1.169 176 G CA 1.476 46.353 45.100 -0.372 0.000 0.980 176 G HN 0.029 8.084 8.290 -0.392 0.000 0.550 177 N N 4.905 123.552 118.700 -0.089 0.000 2.276 177 N HA 0.059 nan 4.740 nan 0.000 0.212 177 N C -1.673 173.828 175.510 -0.015 0.000 1.127 177 N CA -0.493 52.520 53.050 -0.062 0.000 0.834 177 N CB 0.177 38.664 38.487 -0.000 0.000 1.014 177 N HN 0.195 8.580 8.380 0.008 0.000 0.491 178 E N 0.208 120.401 120.200 -0.012 0.000 2.176 178 E HA 0.515 nan 4.350 nan 0.000 0.267 178 E C -2.662 173.956 176.600 0.030 0.000 0.893 178 E CA -1.479 54.953 56.400 0.053 0.000 0.761 178 E CB 2.877 32.634 29.700 0.095 0.000 1.133 178 E HN -0.516 7.712 8.360 -0.056 0.098 0.409 179 I N 7.125 127.744 120.570 0.082 0.000 2.321 179 I HA 0.597 nan 4.170 nan 0.000 0.291 179 I C -2.272 173.927 176.117 0.135 0.000 0.998 179 I CA -1.016 60.321 61.300 0.061 0.000 1.227 179 I CB 2.164 40.184 38.000 0.034 0.000 1.368 179 I HN 0.672 8.967 8.210 0.143 0.000 0.466 180 I N 9.724 130.338 120.570 0.073 0.000 2.378 180 I HA 0.401 nan 4.170 nan 0.000 0.291 180 I C -1.576 174.545 176.117 0.007 0.000 0.992 180 I CA -1.058 60.284 61.300 0.070 0.000 1.154 180 I CB 1.654 39.690 38.000 0.060 0.000 1.315 180 I HN 0.838 9.062 8.210 0.023 0.000 0.448 181 E N 6.750 126.940 120.200 -0.016 0.000 2.200 181 E HA 0.460 nan 4.350 nan 0.000 0.283 181 E C -1.118 175.336 176.600 -0.243 0.000 1.015 181 E CA -1.452 54.889 56.400 -0.099 0.000 0.819 181 E CB 1.501 31.165 29.700 -0.060 0.000 1.081 181 E HN 0.473 8.841 8.360 0.014 0.000 0.397 182 A N 4.976 127.624 122.820 -0.287 0.000 2.332 182 A HA 0.293 nan 4.320 nan 0.000 0.258 182 A C -1.822 175.382 177.584 -0.633 0.000 1.087 182 A CA -2.021 49.665 52.037 -0.584 0.000 0.802 182 A CB -0.779 17.980 19.000 -0.402 0.000 1.042 182 A HN 0.786 8.701 8.150 -0.210 0.109 0.489 183 P HA -0.025 nan 4.420 nan 0.000 0.221 183 P C -0.989 176.053 177.300 -0.429 0.000 1.155 183 P CA 0.767 63.487 63.100 -0.634 0.000 0.812 183 P CB 0.566 31.867 31.700 -0.665 0.000 0.801 184 M N -5.891 113.487 119.600 -0.370 0.000 7.319 184 M HA -0.365 nan 4.480 nan 0.000 0.156 184 M C -0.485 175.780 176.300 -0.058 0.000 0.480 184 M CA 0.625 55.827 55.300 -0.164 0.000 1.311 184 M CB -1.673 30.868 32.600 -0.099 0.000 0.421 184 M HN -0.304 7.673 8.290 -0.522 0.000 0.199 185 A N -2.202 120.668 122.820 0.083 0.000 2.548 185 A HA 0.327 nan 4.320 nan 0.000 0.236 185 A C -1.644 176.190 177.584 0.416 0.000 1.246 185 A CA 0.208 52.372 52.037 0.212 0.000 0.993 185 A CB 1.783 20.911 19.000 0.214 0.000 1.209 185 A HN 0.426 8.620 8.150 0.073 0.000 0.570 186 W N -2.054 119.269 121.300 0.038 0.000 2.390 186 W HA 0.404 nan 4.660 nan 0.000 0.312 186 W C 1.171 177.687 176.519 -0.006 0.000 1.123 186 W CA -2.133 55.201 57.345 -0.018 0.000 1.202 186 W CB 0.551 29.991 29.460 -0.034 0.000 1.251 186 W HN -0.603 7.783 8.180 0.345 0.000 0.511 187 R N 5.366 125.872 120.500 0.009 0.000 2.105 187 R HA -0.390 nan 4.340 nan 0.000 0.239 187 R C 1.980 178.448 176.300 0.280 0.000 1.135 187 R CA 3.921 59.941 56.100 -0.133 0.000 0.967 187 R CB -0.233 29.713 30.300 -0.591 0.000 0.861 187 R HN 0.321 8.759 8.270 -0.174 -0.272 0.442 188 S N -2.261 113.586 115.700 0.244 0.000 2.603 188 S HA -0.176 nan 4.470 nan 0.000 0.229 188 S C 0.351 175.206 174.600 0.425 0.000 0.972 188 S CA 2.446 60.853 58.200 0.345 0.000 0.935 188 S CB -0.371 62.955 63.200 0.210 0.000 0.769 188 S HN 0.159 8.531 8.310 0.125 0.013 0.536 189 R N -1.176 119.561 120.500 0.396 0.000 2.596 189 R HA 0.188 nan 4.340 nan 0.000 0.369 189 R C 1.313 177.768 176.300 0.259 0.000 1.042 189 R CA -1.019 55.240 56.100 0.266 0.000 1.120 189 R CB -0.134 30.242 30.300 0.127 0.000 1.353 189 R HN -0.318 7.994 8.270 0.403 0.200 0.564 190 F N 3.000 123.074 119.950 0.206 0.000 2.102 190 F HA -0.330 nan 4.527 nan 0.000 0.298 190 F C -0.320 175.363 175.800 -0.195 0.000 1.105 190 F CA 4.569 62.566 58.000 -0.005 0.000 1.239 190 F CB 0.673 39.689 39.000 0.028 0.000 0.991 190 F HN -0.691 7.925 8.300 0.631 0.062 0.474 191 F N -5.070 114.960 119.950 0.132 0.000 2.668 191 F HA 0.097 nan 4.527 nan 0.000 0.297 191 F C 0.953 176.634 175.800 -0.199 0.000 1.124 191 F CA -0.995 56.864 58.000 -0.236 0.000 1.353 191 F CB -0.790 37.988 39.000 -0.370 0.000 0.992 191 F HN -0.426 8.043 8.300 0.281 0.000 0.524 192 E N 2.406 122.729 120.200 0.206 0.000 2.153 192 E HA -0.375 nan 4.350 nan 0.000 0.194 192 E C 1.594 178.402 176.600 0.348 0.000 0.988 192 E CA 3.471 60.073 56.400 0.336 0.000 0.811 192 E CB -0.202 29.612 29.700 0.189 0.000 0.746 192 E HN -0.549 7.839 8.360 0.183 0.083 0.466 193 Y N -4.133 116.341 120.300 0.290 0.000 2.384 193 Y HA -0.294 nan 4.550 nan 0.000 0.289 193 Y C 1.951 178.044 175.900 0.323 0.000 1.152 193 Y CA 1.214 59.490 58.100 0.294 0.000 1.258 193 Y CB -1.136 37.402 38.460 0.130 0.000 0.979 193 Y HN -0.171 8.251 8.280 0.272 0.021 0.549 194 R N -0.443 119.951 120.500 -0.177 0.000 2.139 194 R HA -0.451 nan 4.340 nan 0.000 0.243 194 R C 1.326 177.650 176.300 0.041 0.000 1.145 194 R CA 2.909 58.971 56.100 -0.064 0.000 0.976 194 R CB -0.641 29.536 30.300 -0.204 0.000 0.866 194 R HN -0.473 7.426 8.270 -0.542 0.045 0.449 195 A N -3.522 119.348 122.820 0.083 0.000 2.014 195 A HA -0.088 nan 4.320 nan 0.000 0.218 195 A C 1.267 178.702 177.584 -0.247 0.000 1.163 195 A CA 2.266 54.245 52.037 -0.096 0.000 0.652 195 A CB 0.111 19.059 19.000 -0.087 0.000 0.808 195 A HN -0.512 7.744 8.150 0.216 0.024 0.449 196 Y N -4.346 116.020 120.300 0.110 0.000 2.449 196 Y HA 0.102 nan 4.550 nan 0.000 0.254 196 Y C 1.749 177.648 175.900 -0.001 0.000 1.140 196 Y CA 1.346 59.479 58.100 0.055 0.000 1.272 196 Y CB -0.058 38.442 38.460 0.066 0.000 1.114 196 Y HN -0.522 7.806 8.280 0.326 0.148 0.525 197 R N 0.256 120.853 120.500 0.161 0.000 2.127 197 R HA -0.359 nan 4.340 nan 0.000 0.238 197 R C 2.097 178.376 176.300 -0.034 0.000 1.134 197 R CA 2.975 59.118 56.100 0.072 0.000 0.975 197 R CB -1.237 29.168 30.300 0.175 0.000 0.865 197 R HN -0.621 7.767 8.270 0.196 0.000 0.447 198 S N -0.627 115.060 115.700 -0.023 0.000 2.356 198 S HA -0.254 nan 4.470 nan 0.000 0.223 198 S C 1.964 176.488 174.600 -0.127 0.000 1.032 198 S CA 3.721 61.889 58.200 -0.052 0.000 1.005 198 S CB -0.678 62.494 63.200 -0.046 0.000 0.867 198 S HN 0.083 8.392 8.310 -0.003 0.000 0.449 199 I N 1.534 122.010 120.570 -0.156 0.000 2.142 199 I HA -0.455 nan 4.170 nan 0.000 0.240 199 I C 1.478 177.305 176.117 -0.484 0.000 1.078 199 I CA 3.598 64.703 61.300 -0.325 0.000 1.343 199 I CB -0.073 37.808 38.000 -0.198 0.000 1.046 199 I HN -0.460 7.698 8.210 -0.087 0.000 0.405 200 I N -0.670 119.705 120.570 -0.325 0.000 2.208 200 I HA -0.655 nan 4.170 nan 0.000 0.245 200 I C 1.945 177.761 176.117 -0.500 0.000 1.097 200 I CA 4.418 65.463 61.300 -0.425 0.000 1.363 200 I CB -0.558 37.045 38.000 -0.662 0.000 1.051 200 I HN -0.280 7.808 8.210 -0.204 0.000 0.413 201 K N -1.537 118.604 120.400 -0.431 0.000 2.147 201 K HA -0.407 nan 4.320 nan 0.000 0.205 201 K C 2.014 178.664 176.600 0.082 0.000 1.049 201 K CA 3.823 59.991 56.287 -0.198 0.000 0.936 201 K CB -0.571 31.923 32.500 -0.009 0.000 0.722 201 K HN 0.099 8.132 8.250 -0.362 0.000 0.446 202 D N -0.284 120.110 120.400 -0.011 0.000 2.117 202 D HA -0.221 nan 4.640 nan 0.000 0.198 202 D C 2.301 178.659 176.300 0.096 0.000 0.982 202 D CA 3.048 57.069 54.000 0.035 0.000 0.828 202 D CB -0.259 40.441 40.800 -0.166 0.000 0.967 202 D HN -0.705 7.459 8.370 -0.156 0.112 0.464 203 Y N -1.738 118.576 120.300 0.023 0.000 2.242 203 Y HA -0.316 nan 4.550 nan 0.000 0.291 203 Y C 2.138 178.060 175.900 0.036 0.000 1.137 203 Y CA 1.620 59.726 58.100 0.010 0.000 1.181 203 Y CB -0.580 37.861 38.460 -0.032 0.000 0.989 203 Y HN -0.455 7.689 8.280 -0.227 0.000 0.527 204 F N 1.151 121.137 119.950 0.060 0.000 2.113 204 F HA -0.434 nan 4.527 nan 0.000 0.297 204 F C 2.198 178.017 175.800 0.032 0.000 1.103 204 F CA 3.777 61.798 58.000 0.035 0.000 1.248 204 F CB -0.044 38.958 39.000 0.003 0.000 0.999 204 F HN 0.201 8.539 8.300 0.211 0.088 0.475 205 H N -0.854 118.254 119.070 0.062 0.000 2.457 205 H HA -0.224 nan 4.556 nan 0.000 0.297 205 H C 1.328 176.613 175.328 -0.072 0.000 1.092 205 H CA 3.114 59.145 56.048 -0.028 0.000 1.309 205 H CB 0.040 29.838 29.762 0.059 0.000 1.382 205 H HN 0.018 8.411 8.280 0.188 0.000 0.535 206 R N -3.672 116.880 120.500 0.086 0.000 2.426 206 R HA 0.074 nan 4.340 nan 0.000 0.263 206 R C 0.342 176.638 176.300 -0.006 0.000 0.961 206 R CA -0.446 55.687 56.100 0.055 0.000 1.086 206 R CB 0.263 30.628 30.300 0.109 0.000 1.186 206 R HN -0.612 7.587 8.270 0.132 0.150 0.537 207 G N -3.124 105.620 108.800 -0.093 0.000 2.201 207 G HA2 -0.261 nan 3.960 nan 0.000 0.212 207 G HA3 -0.261 nan 3.960 nan 0.000 0.212 207 G C -0.379 174.485 174.900 -0.060 0.000 0.994 207 G CA -0.399 44.639 45.100 -0.103 0.000 0.644 207 G HN -0.338 7.667 8.290 -0.178 0.178 0.508 208 A N 1.095 123.913 122.820 -0.003 0.000 2.386 208 A HA 0.101 nan 4.320 nan 0.000 0.248 208 A C -0.781 176.916 177.584 0.188 0.000 1.082 208 A CA 0.041 52.119 52.037 0.067 0.000 0.789 208 A CB 1.004 20.048 19.000 0.074 0.000 1.025 208 A HN -0.186 7.971 8.150 0.012 0.000 0.490 209 K N 0.498 121.018 120.400 0.200 0.000 2.174 209 K HA 0.187 nan 4.320 nan 0.000 0.275 209 K C -1.457 175.386 176.600 0.404 0.000 1.015 209 K CA -0.478 55.988 56.287 0.299 0.000 0.933 209 K CB 1.509 34.128 32.500 0.199 0.000 1.025 209 K HN 0.328 8.654 8.250 0.127 0.000 0.463 210 W N 2.541 123.963 121.300 0.203 0.000 2.683 210 W HA 0.460 nan 4.660 nan 0.000 0.329 210 W C -1.368 175.171 176.519 0.034 0.000 1.037 210 W CA -1.906 55.498 57.345 0.098 0.000 1.232 210 W CB 1.706 31.195 29.460 0.048 0.000 1.390 210 W HN 0.065 8.564 8.180 0.532 0.000 0.465 211 T N 8.981 123.713 114.554 0.295 0.000 2.916 211 T HA 0.419 nan 4.350 nan 0.000 0.298 211 T C -1.786 172.897 174.700 -0.029 0.000 1.031 211 T CA -0.172 61.952 62.100 0.039 0.000 0.993 211 T CB 3.459 72.397 68.868 0.118 0.000 1.045 211 T HN 0.561 9.087 8.240 0.477 0.000 0.454 212 T N 0.700 115.127 114.554 -0.211 0.000 2.815 212 T HA 0.618 nan 4.350 nan 0.000 0.289 212 T C -0.344 174.103 174.700 -0.422 0.000 1.000 212 T CA -2.560 59.367 62.100 -0.289 0.000 0.958 212 T CB 0.923 69.574 68.868 -0.362 0.000 0.944 212 T HN 0.230 8.319 8.240 -0.251 0.000 0.442 213 A N 6.811 129.268 122.820 -0.604 0.000 2.406 213 A HA 0.245 nan 4.320 nan 0.000 0.243 213 A C -1.853 175.223 177.584 -0.847 0.000 1.082 213 A CA -1.369 49.993 52.037 -1.124 0.000 0.786 213 A CB -0.532 17.762 19.000 -1.175 0.000 1.029 213 A HN 0.176 8.027 8.150 -0.497 0.000 0.495 214 P HA -0.076 nan 4.420 nan 0.000 0.260 214 P C -1.429 175.598 177.300 -0.454 0.000 1.207 214 P CA 0.144 62.927 63.100 -0.527 0.000 0.780 214 P CB 0.384 31.822 31.700 -0.437 0.000 0.789 215 K N 6.476 126.638 120.400 -0.396 0.000 2.436 215 K HA 0.089 nan 4.320 nan 0.000 0.282 215 K C -1.647 174.831 176.600 -0.203 0.000 1.044 215 K CA -1.130 54.925 56.287 -0.387 0.000 1.028 215 K CB -0.242 31.998 32.500 -0.434 0.000 0.919 215 K HN 0.147 8.171 8.250 -0.376 0.000 0.474 216 P HA 0.108 nan 4.420 nan 0.000 0.272 216 P C -1.237 176.200 177.300 0.229 0.000 1.240 216 P CA -0.727 62.381 63.100 0.014 0.000 0.791 216 P CB 1.063 32.770 31.700 0.012 0.000 0.978 217 T N -3.791 110.899 114.554 0.228 0.000 3.014 217 T HA -0.018 nan 4.350 nan 0.000 0.263 217 T C 0.699 175.641 174.700 0.404 0.000 1.078 217 T CA 0.661 62.946 62.100 0.308 0.000 1.135 217 T CB 0.329 69.350 68.868 0.254 0.000 0.895 217 T HN -0.056 8.729 8.240 0.160 -0.449 0.480 218 M N -2.081 117.697 119.600 0.297 0.000 2.537 218 M HA -0.527 nan 4.480 nan 0.000 0.205 218 M C -1.153 175.269 176.300 0.203 0.000 0.450 218 M CA 0.570 55.987 55.300 0.195 0.000 0.553 218 M CB -1.905 30.791 32.600 0.160 0.000 2.046 218 M HN -0.293 8.401 8.290 0.244 -0.258 0.797 219 A N -1.875 121.050 122.820 0.174 0.000 2.313 219 A HA 0.029 nan 4.320 nan 0.000 0.261 219 A C 0.825 178.396 177.584 -0.022 0.000 1.090 219 A CA -0.615 51.485 52.037 0.104 0.000 0.807 219 A CB 0.880 19.918 19.000 0.063 0.000 1.055 219 A HN -0.802 7.462 8.150 0.219 0.017 0.492 220 D N 0.957 121.351 120.400 -0.011 0.000 2.203 220 D HA -0.419 nan 4.640 nan 0.000 0.199 220 D C 2.010 178.208 176.300 -0.169 0.000 0.997 220 D CA 3.965 57.959 54.000 -0.010 0.000 0.863 220 D CB -0.404 40.375 40.800 -0.035 0.000 0.928 220 D HN 0.702 9.080 8.370 0.014 0.000 0.458 221 E N -2.222 117.720 120.200 -0.430 0.000 2.401 221 E HA -0.216 nan 4.350 nan 0.000 0.199 221 E C 0.915 177.146 176.600 -0.616 0.000 1.023 221 E CA 1.877 57.865 56.400 -0.686 0.000 0.859 221 E CB -0.727 28.143 29.700 -1.384 0.000 0.780 221 E HN 0.291 8.330 8.360 -0.435 0.059 0.523 222 L N -3.094 117.799 121.223 -0.549 0.000 2.492 222 L HA -0.053 nan 4.340 nan 0.000 0.223 222 L C -1.401 175.069 176.870 -0.667 0.000 1.132 222 L CA 0.265 54.797 54.840 -0.514 0.000 0.850 222 L CB 1.112 42.803 42.059 -0.615 0.000 0.966 222 L HN -0.186 7.562 8.230 -0.515 0.173 0.454 223 Y N -3.551 116.683 120.300 -0.110 0.000 2.446 223 Y HA 0.257 nan 4.550 nan 0.000 0.345 223 Y C -0.734 175.100 175.900 -0.109 0.000 0.984 223 Y CA -2.081 55.947 58.100 -0.121 0.000 1.058 223 Y CB 2.213 40.578 38.460 -0.159 0.000 1.220 223 Y HN -0.308 7.649 8.280 -0.259 0.168 0.455 224 N N 4.546 123.282 118.700 0.060 0.000 2.663 224 N HA 0.090 nan 4.740 nan 0.000 0.250 224 N C 0.450 175.981 175.510 0.034 0.000 1.129 224 N CA -0.258 52.818 53.050 0.044 0.000 0.995 224 N CB -0.419 38.117 38.487 0.081 0.000 1.324 224 N HN 0.517 8.818 8.380 0.044 0.105 0.512 225 Q N 1.928 121.732 119.800 0.006 0.000 2.443 225 Q HA -0.317 nan 4.340 nan 0.000 0.213 225 Q C -0.182 175.791 176.000 -0.045 0.000 0.982 225 Q CA 2.220 57.995 55.803 -0.047 0.000 0.894 225 Q CB -0.493 28.212 28.738 -0.054 0.000 0.947 225 Q HN -0.020 8.256 8.270 0.010 0.000 0.480 226 D N -6.371 114.028 120.400 -0.002 0.000 2.501 226 D HA -0.000 nan 4.640 nan 0.000 0.226 226 D C -0.807 175.509 176.300 0.026 0.000 1.198 226 D CA -1.789 52.209 54.000 -0.003 0.000 0.830 226 D CB -0.940 39.861 40.800 0.001 0.000 1.014 226 D HN -0.261 8.035 8.370 0.019 0.085 0.496 227 Y N 4.651 124.886 120.300 -0.108 0.000 2.834 227 Y HA -0.119 nan 4.550 nan 0.000 0.355 227 Y C -0.966 174.836 175.900 -0.164 0.000 1.287 227 Y CA -1.877 56.155 58.100 -0.114 0.000 1.647 227 Y CB -0.070 38.321 38.460 -0.114 0.000 1.221 227 Y HN -0.254 8.035 8.280 0.126 0.067 0.519 228 P HA -0.082 nan 4.420 nan 0.000 0.238 228 P C -1.933 175.031 177.300 -0.560 0.000 1.729 228 P CA 0.260 63.123 63.100 -0.395 0.000 1.055 228 P CB -1.778 29.781 31.700 -0.235 0.000 1.980 229 I N 1.605 121.816 120.570 -0.599 0.000 2.389 229 I HA 0.130 nan 4.170 nan 0.000 0.288 229 I C -2.113 173.786 176.117 -0.364 0.000 0.999 229 I CA -1.524 59.529 61.300 -0.411 0.000 1.129 229 I CB 2.125 39.984 38.000 -0.234 0.000 1.288 229 I HN -0.102 7.749 8.210 -0.530 0.041 0.444 230 H N 7.843 127.011 119.070 0.165 0.000 3.241 230 H HA 0.181 nan 4.556 nan 0.000 0.260 230 H C -1.332 174.168 175.328 0.287 0.000 1.084 230 H CA -0.305 55.913 56.048 0.283 0.000 1.203 230 H CB 2.023 31.871 29.762 0.144 0.000 1.524 230 H HN 0.203 8.725 8.280 -0.003 -0.244 0.521 231 S N -2.779 113.078 115.700 0.261 0.000 2.588 231 S HA 0.083 nan 4.470 nan 0.000 0.269 231 S C -0.267 174.362 174.600 0.048 0.000 1.157 231 S CA -0.798 57.452 58.200 0.082 0.000 0.824 231 S CB 2.629 65.865 63.200 0.059 0.000 1.126 231 S HN -0.852 7.650 8.310 0.203 -0.071 0.464 232 V N 2.298 122.189 119.914 -0.039 0.000 2.867 232 V HA -0.264 nan 4.120 nan 0.000 0.260 232 V C 1.728 177.677 176.094 -0.241 0.000 1.099 232 V CA 2.839 65.028 62.300 -0.184 0.000 1.122 232 V CB -0.743 30.941 31.823 -0.231 0.000 0.708 232 V HN 0.637 9.127 8.190 -0.047 -0.329 0.490 233 E N -1.293 118.893 120.200 -0.023 0.000 2.072 233 E HA -0.276 nan 4.350 nan 0.000 0.191 233 E C 2.452 179.079 176.600 0.045 0.000 0.985 233 E CA 3.160 59.607 56.400 0.077 0.000 0.801 233 E CB -1.000 28.760 29.700 0.101 0.000 0.750 233 E HN -0.363 7.963 8.360 0.016 0.045 0.452 234 D N -0.189 120.215 120.400 0.007 0.000 2.097 234 D HA -0.225 nan 4.640 nan 0.000 0.195 234 D C 2.187 178.436 176.300 -0.085 0.000 0.989 234 D CA 3.079 57.062 54.000 -0.029 0.000 0.827 234 D CB -0.406 40.367 40.800 -0.045 0.000 0.966 234 D HN -0.692 7.598 8.370 0.019 0.090 0.456 235 R N -0.400 120.035 120.500 -0.109 0.000 2.117 235 R HA -0.406 nan 4.340 nan 0.000 0.243 235 R C 2.221 178.509 176.300 -0.019 0.000 1.143 235 R CA 3.333 59.381 56.100 -0.086 0.000 0.968 235 R CB -0.083 30.190 30.300 -0.046 0.000 0.863 235 R HN -0.522 7.694 8.270 -0.090 0.000 0.444 236 H N -1.896 117.199 119.070 0.042 0.000 2.387 236 H HA -0.212 nan 4.556 nan 0.000 0.299 236 H C 2.560 177.905 175.328 0.029 0.000 1.090 236 H CA 2.688 58.769 56.048 0.055 0.000 1.332 236 H CB -0.064 29.741 29.762 0.072 0.000 1.386 236 H HN -0.396 7.781 8.280 -0.150 0.013 0.516 237 K N 0.142 120.618 120.400 0.126 0.000 2.025 237 K HA -0.283 nan 4.320 nan 0.000 0.207 237 K C 2.278 178.877 176.600 -0.001 0.000 1.049 237 K CA 2.869 59.191 56.287 0.058 0.000 0.933 237 K CB -0.112 32.407 32.500 0.032 0.000 0.714 237 K HN -0.717 7.487 8.250 0.105 0.109 0.438 238 L N -1.375 119.813 121.223 -0.059 0.000 2.017 238 L HA -0.374 nan 4.340 nan 0.000 0.208 238 L C 2.006 178.770 176.870 -0.175 0.000 1.073 238 L CA 2.980 57.751 54.840 -0.116 0.000 0.745 238 L CB -0.291 41.648 42.059 -0.201 0.000 0.894 238 L HN -0.017 8.174 8.230 -0.065 0.000 0.432 239 A N -1.789 120.917 122.820 -0.191 0.000 1.940 239 A HA -0.346 nan 4.320 nan 0.000 0.219 239 A C 2.269 179.782 177.584 -0.117 0.000 1.176 239 A CA 2.983 54.797 52.037 -0.373 0.000 0.631 239 A CB -1.094 17.896 19.000 -0.017 0.000 0.814 239 A HN 0.282 8.385 8.150 -0.079 0.000 0.446 240 A N -1.607 121.219 122.820 0.010 0.000 1.930 240 A HA -0.216 nan 4.320 nan 0.000 0.217 240 A C 1.351 178.954 177.584 0.032 0.000 1.175 240 A CA 2.402 54.478 52.037 0.064 0.000 0.627 240 A CB -0.578 18.465 19.000 0.072 0.000 0.815 240 A HN -0.284 7.778 8.150 0.022 0.101 0.443 241 Q N -2.767 117.027 119.800 -0.010 0.000 2.472 241 Q HA -0.072 nan 4.340 nan 0.000 0.208 241 Q C 0.014 176.025 176.000 0.019 0.000 0.958 241 Q CA -0.225 55.578 55.803 0.000 0.000 0.932 241 Q CB 0.071 28.801 28.738 -0.014 0.000 1.007 241 Q HN -0.345 7.771 8.270 -0.037 0.131 0.508 242 G N -1.520 107.278 108.800 -0.003 0.000 2.132 242 G HA2 -0.422 nan 3.960 nan 0.000 0.234 242 G HA3 -0.422 nan 3.960 nan 0.000 0.234 242 G C -1.066 173.865 174.900 0.051 0.000 0.989 242 G CA -0.162 45.018 45.100 0.133 0.000 0.676 242 G HN -0.374 7.665 8.290 -0.068 0.210 0.522 243 K N 1.419 121.688 120.400 -0.220 0.000 2.240 243 K HA 0.195 nan 4.320 nan 0.000 0.271 243 K C -1.484 174.908 176.600 -0.347 0.000 1.018 243 K CA -1.086 55.144 56.287 -0.094 0.000 0.874 243 K CB 0.999 33.522 32.500 0.039 0.000 1.098 243 K HN -0.173 7.873 8.250 -0.286 0.033 0.458 244 F N 0.017 120.023 119.950 0.094 0.000 2.639 244 F HA 0.261 nan 4.527 nan 0.000 0.339 244 F C 0.215 175.673 175.800 -0.570 0.000 1.071 244 F CA -0.975 56.925 58.000 -0.167 0.000 0.994 244 F CB 2.455 41.395 39.000 -0.100 0.000 1.341 244 F HN -0.441 8.017 8.300 0.264 0.000 0.498 245 V N -0.396 119.092 119.914 -0.710 0.000 2.970 245 V HA -0.130 nan 4.120 nan 0.000 0.260 245 V C -1.063 174.943 176.094 -0.147 0.000 1.100 245 V CA 1.249 63.145 62.300 -0.672 0.000 1.122 245 V CB 0.222 31.711 31.823 -0.556 0.000 0.721 245 V HN 0.367 8.598 8.190 -0.492 -0.336 0.483 246 T N -4.592 109.940 114.554 -0.037 0.000 2.795 246 T HA 0.450 nan 4.350 nan 0.000 0.282 246 T C -0.059 174.645 174.700 0.007 0.000 0.980 246 T CA -2.710 59.379 62.100 -0.018 0.000 1.012 246 T CB 1.574 70.434 68.868 -0.015 0.000 0.936 246 T HN -0.641 7.568 8.240 -0.004 0.029 0.457 247 T N 1.005 115.549 114.554 -0.017 0.000 2.833 247 T HA 0.214 nan 4.350 nan 0.000 0.292 247 T C 0.499 175.244 174.700 0.076 0.000 1.031 247 T CA -1.585 60.543 62.100 0.047 0.000 0.937 247 T CB 0.732 69.623 68.868 0.038 0.000 1.256 247 T HN 0.713 8.779 8.240 -0.091 0.119 0.551 248 E N -1.144 119.128 120.200 0.119 0.000 2.411 248 E HA 0.233 nan 4.350 nan 0.000 0.204 248 E C -1.074 175.609 176.600 0.137 0.000 1.059 248 E CA -0.742 55.732 56.400 0.123 0.000 1.112 248 E CB -0.833 28.951 29.700 0.139 0.000 1.168 248 E HN 0.464 8.900 8.360 0.126 0.000 0.445 249 F N 1.272 121.209 119.950 -0.021 0.000 2.171 249 F HA -0.282 nan 4.527 nan 0.000 0.300 249 F C -0.533 175.255 175.800 -0.019 0.000 1.090 249 F CA 1.882 59.865 58.000 -0.028 0.000 1.293 249 F CB 1.196 40.157 39.000 -0.066 0.000 1.013 249 F HN -0.533 7.803 8.300 0.232 0.103 0.486 250 E N -4.833 115.293 120.200 -0.123 0.000 2.416 250 E HA 0.202 nan 4.350 nan 0.000 0.280 250 E C -2.880 173.688 176.600 -0.053 0.000 1.055 250 E CA -3.103 53.171 56.400 -0.209 0.000 0.825 250 E CB 0.583 30.094 29.700 -0.315 0.000 1.312 250 E HN -0.530 7.858 8.360 0.047 0.000 0.452 251 P HA 0.099 nan 4.420 nan 0.000 0.271 251 P C -1.549 175.750 177.300 -0.002 0.000 1.216 251 P CA -0.072 63.049 63.100 0.034 0.000 0.776 251 P CB 0.443 32.167 31.700 0.039 0.000 0.881 252 C N -0.375 118.979 119.300 0.090 0.000 3.171 252 C HA 0.543 nan 4.460 nan 0.000 0.336 252 C C -2.416 172.714 174.990 0.234 0.000 1.198 252 C CA -2.491 56.544 59.018 0.028 0.000 1.319 252 C CB 2.939 30.681 27.740 0.003 0.000 1.682 252 C HN -0.156 8.178 8.230 0.173 0.000 0.497 253 F N -3.152 116.800 119.950 0.004 0.000 2.829 253 F HA 0.413 nan 4.527 nan 0.000 0.319 253 F C -3.399 172.444 175.800 0.072 0.000 1.153 253 F CA -0.669 57.377 58.000 0.078 0.000 0.912 253 F CB 1.309 40.440 39.000 0.218 0.000 1.292 253 F HN -0.344 7.832 8.300 -0.206 0.000 0.447 254 D N 0.837 121.498 120.400 0.435 0.000 2.256 254 D HA 0.456 nan 4.640 nan 0.000 0.246 254 D C 0.572 177.173 176.300 0.502 0.000 1.042 254 D CA -1.665 52.511 54.000 0.292 0.000 0.841 254 D CB 2.117 43.094 40.800 0.294 0.000 1.223 254 D HN -0.051 8.623 8.370 0.507 0.000 0.470 255 A N 4.714 127.727 122.820 0.322 0.000 2.024 255 A HA -0.209 nan 4.320 nan 0.000 0.220 255 A C 1.082 178.874 177.584 0.345 0.000 1.164 255 A CA 3.279 55.517 52.037 0.335 0.000 0.643 255 A CB -0.076 18.987 19.000 0.104 0.000 0.806 255 A HN 0.395 8.624 8.150 0.132 0.000 0.451 256 A N -3.512 119.408 122.820 0.167 0.000 2.216 256 A HA -0.164 nan 4.320 nan 0.000 0.214 256 A C 0.879 178.607 177.584 0.241 0.000 1.160 256 A CA 1.962 54.052 52.037 0.087 0.000 0.725 256 A CB -0.633 18.145 19.000 -0.370 0.000 0.784 256 A HN -0.068 8.092 8.150 0.073 0.034 0.472 257 D N -2.462 118.122 120.400 0.306 0.000 2.340 257 D HA 0.129 nan 4.640 nan 0.000 0.220 257 D C -1.104 175.123 176.300 -0.123 0.000 1.039 257 D CA 1.517 55.571 54.000 0.091 0.000 0.866 257 D CB 0.653 41.434 40.800 -0.032 0.000 0.913 257 D HN -0.444 8.110 8.370 0.433 0.076 0.523 258 F N -2.260 117.784 119.950 0.157 0.000 2.495 258 F HA 0.445 nan 4.527 nan 0.000 0.327 258 F C -0.698 175.240 175.800 0.230 0.000 1.103 258 F CA -0.955 57.145 58.000 0.166 0.000 0.949 258 F CB 2.596 41.647 39.000 0.085 0.000 1.142 258 F HN -0.585 7.852 8.300 0.517 0.173 0.457 259 I N 3.206 124.050 120.570 0.457 0.000 2.499 259 I HA 0.336 nan 4.170 nan 0.000 0.288 259 I C -2.242 174.173 176.117 0.496 0.000 1.048 259 I CA -1.628 59.943 61.300 0.451 0.000 1.062 259 I CB 4.414 42.679 38.000 0.441 0.000 1.238 259 I HN 0.907 9.400 8.210 0.472 0.000 0.426 260 R N 7.978 128.713 120.500 0.392 0.000 2.349 260 R HA 0.543 nan 4.340 nan 0.000 0.299 260 R C -1.415 175.138 176.300 0.421 0.000 1.027 260 R CA -0.934 55.382 56.100 0.359 0.000 0.958 260 R CB 1.071 31.490 30.300 0.197 0.000 1.047 260 R HN 0.659 9.482 8.270 0.338 -0.350 0.468 261 A N 2.722 125.874 122.820 0.554 0.000 3.176 261 A HA 0.349 nan 4.320 nan 0.000 0.265 261 A C -0.469 177.584 177.584 0.782 0.000 0.936 261 A CA -1.145 51.340 52.037 0.746 0.000 1.033 261 A CB 0.245 19.902 19.000 1.094 0.000 1.158 261 A HN 0.200 8.669 8.150 0.532 0.000 0.485 262 G N 3.211 112.351 108.800 0.567 0.000 2.559 262 G HA2 -0.443 nan 3.960 nan 0.000 0.282 262 G HA3 -0.443 nan 3.960 nan 0.000 0.282 262 G C -0.043 175.133 174.900 0.460 0.000 1.177 262 G CA 0.646 46.062 45.100 0.527 0.000 0.960 262 G HN 0.134 8.660 8.290 0.393 0.000 0.540 263 R N 2.557 123.222 120.500 0.275 0.000 2.307 263 R HA -0.054 nan 4.340 nan 0.000 0.199 263 R C -1.221 175.242 176.300 0.273 0.000 1.000 263 R CA 1.585 57.782 56.100 0.162 0.000 1.023 263 R CB 0.829 31.115 30.300 -0.023 0.000 0.908 263 R HN -0.099 8.293 8.270 0.204 0.000 0.473 264 D N -1.603 119.005 120.400 0.345 0.000 2.505 264 D HA 0.628 nan 4.640 nan 0.000 0.249 264 D C -1.793 174.591 176.300 0.140 0.000 1.082 264 D CA 0.190 54.332 54.000 0.237 0.000 0.839 264 D CB 2.419 43.344 40.800 0.208 0.000 1.317 264 D HN -0.782 7.787 8.370 0.431 0.060 0.497 265 I N 1.047 121.613 120.570 -0.006 0.000 2.569 265 I HA 0.778 nan 4.170 nan 0.000 0.296 265 I C -1.390 174.626 176.117 -0.169 0.000 1.028 265 I CA -1.146 60.199 61.300 0.075 0.000 1.082 265 I CB 3.515 41.624 38.000 0.181 0.000 1.264 265 I HN 0.743 8.959 8.210 0.010 0.000 0.429 266 F N 3.975 124.161 119.950 0.392 0.000 2.508 266 F HA 0.822 nan 4.527 nan 0.000 0.325 266 F C -1.716 174.166 175.800 0.137 0.000 1.090 266 F CA -1.838 56.340 58.000 0.295 0.000 0.945 266 F CB 3.252 42.439 39.000 0.313 0.000 1.156 266 F HN 0.321 8.939 8.300 0.530 0.000 0.463 267 A N 1.279 124.173 122.820 0.124 0.000 2.566 267 A HA 0.988 nan 4.320 nan 0.000 0.292 267 A C -2.897 174.617 177.584 -0.116 0.000 1.112 267 A CA -1.334 50.557 52.037 -0.244 0.000 0.707 267 A CB 3.957 22.515 19.000 -0.735 0.000 1.302 267 A HN 1.053 9.318 8.150 0.191 0.000 0.409 268 Q N -1.901 117.786 119.800 -0.188 0.000 2.347 268 Q HA 0.412 nan 4.340 nan 0.000 0.271 268 Q C -1.524 174.338 176.000 -0.229 0.000 1.064 268 Q CA -1.573 54.181 55.803 -0.080 0.000 0.800 268 Q CB 3.389 32.205 28.738 0.130 0.000 1.304 268 Q HN -0.094 7.972 8.270 -0.340 0.000 0.438 269 R N 5.153 125.471 120.500 -0.304 0.000 2.370 269 R HA 0.016 nan 4.340 nan 0.000 0.309 269 R C -1.013 174.925 176.300 -0.604 0.000 1.059 269 R CA 0.047 55.777 56.100 -0.616 0.000 0.981 269 R CB -0.532 29.176 30.300 -0.988 0.000 0.972 269 R HN 0.462 8.614 8.270 -0.197 0.000 0.437 270 S N 4.236 119.600 115.700 -0.560 0.000 2.874 270 S HA 0.488 nan 4.470 nan 0.000 0.318 270 S C -0.008 174.364 174.600 -0.381 0.000 1.109 270 S CA -1.485 56.489 58.200 -0.378 0.000 0.878 270 S CB 3.096 66.229 63.200 -0.112 0.000 1.307 270 S HN 0.462 8.370 8.310 -0.491 0.108 0.592 271 Q N -2.021 117.777 119.800 -0.004 0.000 2.226 271 Q HA -0.032 nan 4.340 nan 0.000 0.204 271 Q C 1.895 177.918 176.000 0.039 0.000 0.975 271 Q CA 2.361 58.225 55.803 0.101 0.000 0.866 271 Q CB 0.397 29.226 28.738 0.151 0.000 0.915 271 Q HN 0.229 8.542 8.270 0.071 0.000 0.440 272 V N -10.528 109.395 119.914 0.016 0.000 3.605 272 V HA 0.279 nan 4.120 nan 0.000 0.284 272 V C -0.037 176.088 176.094 0.052 0.000 1.386 272 V CA -0.650 61.690 62.300 0.068 0.000 1.053 272 V CB 0.531 32.392 31.823 0.064 0.000 0.857 272 V HN -0.794 7.348 8.190 -0.023 0.035 0.436 273 T N 5.212 119.750 114.554 -0.027 0.000 2.833 273 T HA 0.311 nan 4.350 nan 0.000 0.297 273 T C -1.589 173.003 174.700 -0.180 0.000 1.015 273 T CA -0.216 61.889 62.100 0.008 0.000 0.963 273 T CB 0.549 69.423 68.868 0.011 0.000 0.955 273 T HN -0.678 7.382 8.240 -0.115 0.111 0.449 274 N N 6.210 124.850 118.700 -0.099 0.000 2.478 274 N HA 0.529 nan 4.740 nan 0.000 0.275 274 N C 0.630 176.045 175.510 -0.159 0.000 1.221 274 N CA -1.865 51.061 53.050 -0.207 0.000 0.979 274 N CB 1.819 40.263 38.487 -0.071 0.000 1.202 274 N HN -0.273 8.129 8.380 0.036 0.000 0.564 275 Y N -2.164 118.132 120.300 -0.006 0.000 2.274 275 Y HA -0.272 nan 4.550 nan 0.000 0.290 275 Y C 2.290 178.222 175.900 0.053 0.000 1.145 275 Y CA 3.775 61.883 58.100 0.014 0.000 1.203 275 Y CB -0.040 38.429 38.460 0.015 0.000 0.984 275 Y HN 0.211 8.658 8.280 -0.192 -0.282 0.533 276 L N -1.637 119.713 121.223 0.211 0.000 2.083 276 L HA -0.364 nan 4.340 nan 0.000 0.209 276 L C 2.238 179.243 176.870 0.225 0.000 1.083 276 L CA 3.055 58.004 54.840 0.181 0.000 0.752 276 L CB -0.605 41.532 42.059 0.129 0.000 0.899 276 L HN -0.248 8.332 8.230 0.190 -0.236 0.433 277 G N -1.237 107.700 108.800 0.228 0.000 2.402 277 G HA2 -0.315 nan 3.960 nan 0.000 0.216 277 G HA3 -0.315 nan 3.960 nan 0.000 0.216 277 G C 1.477 176.497 174.900 0.200 0.000 1.162 277 G CA 1.900 47.209 45.100 0.348 0.000 0.777 277 G HN -0.765 7.521 8.290 0.174 0.108 0.539 278 I N 1.731 122.393 120.570 0.153 0.000 2.226 278 I HA -0.539 nan 4.170 nan 0.000 0.245 278 I C 1.358 177.568 176.117 0.155 0.000 1.100 278 I CA 3.771 65.169 61.300 0.164 0.000 1.374 278 I CB -0.152 37.907 38.000 0.098 0.000 1.057 278 I HN -0.191 8.098 8.210 0.132 0.000 0.413 279 E N 0.455 120.752 120.200 0.161 0.000 2.077 279 E HA -0.326 nan 4.350 nan 0.000 0.193 279 E C 1.735 178.392 176.600 0.095 0.000 0.989 279 E CA 2.991 59.458 56.400 0.112 0.000 0.800 279 E CB -0.666 29.102 29.700 0.113 0.000 0.746 279 E HN -0.134 8.337 8.360 0.185 0.000 0.452 280 W N 0.307 121.632 121.300 0.042 0.000 2.335 280 W HA -0.372 nan 4.660 nan 0.000 0.311 280 W C 2.183 178.720 176.519 0.030 0.000 1.213 280 W CA 4.023 61.397 57.345 0.047 0.000 1.274 280 W CB 0.082 29.593 29.460 0.087 0.000 1.148 280 W HN -0.033 8.356 8.180 0.348 0.000 0.498 281 M N -1.842 117.859 119.600 0.170 0.000 2.086 281 M HA -0.496 nan 4.480 nan 0.000 0.261 281 M C 2.347 178.587 176.300 -0.101 0.000 1.067 281 M CA 2.679 57.964 55.300 -0.025 0.000 1.116 281 M CB -1.131 31.343 32.600 -0.209 0.000 1.348 281 M HN -0.500 7.943 8.290 0.255 0.000 0.407 282 R N -1.074 119.399 120.500 -0.046 0.000 2.083 282 R HA -0.408 nan 4.340 nan 0.000 0.237 282 R C 2.254 178.479 176.300 -0.124 0.000 1.137 282 R CA 3.899 59.961 56.100 -0.063 0.000 0.951 282 R CB -0.048 30.230 30.300 -0.036 0.000 0.851 282 R HN 0.331 8.500 8.270 0.013 0.108 0.434 283 R N -2.689 117.707 120.500 -0.173 0.000 2.115 283 R HA -0.224 nan 4.340 nan 0.000 0.230 283 R C 2.037 178.161 176.300 -0.292 0.000 1.111 283 R CA 2.759 58.731 56.100 -0.212 0.000 0.976 283 R CB -0.126 30.048 30.300 -0.211 0.000 0.870 283 R HN 0.169 8.233 8.270 -0.159 0.111 0.445 284 H N -0.731 118.003 119.070 -0.560 0.000 2.395 284 H HA -0.178 nan 4.556 nan 0.000 0.299 284 H C 0.753 175.905 175.328 -0.293 0.000 1.070 284 H CA 2.940 58.627 56.048 -0.601 0.000 1.356 284 H CB 0.546 29.620 29.762 -1.147 0.000 1.401 284 H HN -0.279 7.624 8.280 -0.460 0.101 0.524 285 L N -4.413 116.649 121.223 -0.269 0.000 2.477 285 L HA 0.011 nan 4.340 nan 0.000 0.220 285 L C -0.401 176.459 176.870 -0.017 0.000 1.106 285 L CA 0.040 54.800 54.840 -0.133 0.000 0.851 285 L CB 0.495 42.535 42.059 -0.032 0.000 0.994 285 L HN -0.350 7.770 8.230 -0.183 0.000 0.462 286 A N 0.705 123.477 122.820 -0.081 0.000 2.425 286 A HA 0.020 nan 4.320 nan 0.000 0.242 286 A C -1.470 176.064 177.584 -0.084 0.000 1.077 286 A CA -0.317 51.680 52.037 -0.066 0.000 0.781 286 A CB -0.947 18.000 19.000 -0.088 0.000 1.020 286 A HN -0.557 7.517 8.150 -0.127 0.000 0.494 287 P HA 0.104 nan 4.420 nan 0.000 0.245 287 P C 0.094 177.336 177.300 -0.097 0.000 1.203 287 P CA 0.613 63.667 63.100 -0.075 0.000 0.792 287 P CB 0.930 32.586 31.700 -0.074 0.000 0.997 288 D N -1.546 118.783 120.400 -0.117 0.000 2.218 288 D HA -0.188 nan 4.640 nan 0.000 0.204 288 D C -0.199 175.791 176.300 -0.517 0.000 0.976 288 D CA 2.922 56.741 54.000 -0.301 0.000 0.853 288 D CB 0.651 41.252 40.800 -0.333 0.000 0.939 288 D HN 0.182 8.460 8.370 -0.073 0.048 0.481 289 Y N -3.195 117.082 120.300 -0.038 0.000 2.536 289 Y HA 0.292 nan 4.550 nan 0.000 0.347 289 Y C -1.184 174.674 175.900 -0.069 0.000 1.000 289 Y CA -1.242 56.844 58.100 -0.022 0.000 1.051 289 Y CB 3.509 41.969 38.460 0.001 0.000 1.259 289 Y HN -0.807 7.499 8.280 0.085 0.025 0.468 290 R N 1.302 121.841 120.500 0.066 0.000 2.393 290 R HA 0.408 nan 4.340 nan 0.000 0.315 290 R C -1.856 174.289 176.300 -0.258 0.000 0.952 290 R CA -1.115 54.896 56.100 -0.149 0.000 0.842 290 R CB 1.833 32.004 30.300 -0.215 0.000 1.163 290 R HN 0.690 9.043 8.270 0.139 0.000 0.450 291 V N 3.884 123.647 119.914 -0.251 0.000 2.407 291 V HA 0.315 nan 4.120 nan 0.000 0.278 291 V C -0.642 175.253 176.094 -0.332 0.000 1.037 291 V CA -0.763 61.444 62.300 -0.155 0.000 0.900 291 V CB 0.363 32.196 31.823 0.016 0.000 0.983 291 V HN 0.400 8.467 8.190 -0.205 0.000 0.459 292 H N 5.866 124.866 119.070 -0.117 0.000 2.569 292 H HA 0.371 nan 4.556 nan 0.000 0.357 292 H C -1.208 174.144 175.328 0.040 0.000 1.153 292 H CA -1.811 54.207 56.048 -0.050 0.000 1.193 292 H CB 3.567 33.288 29.762 -0.068 0.000 1.602 292 H HN 0.759 8.915 8.280 -0.029 0.107 0.523 293 I N 2.381 123.048 120.570 0.163 0.000 2.339 293 I HA 0.500 nan 4.170 nan 0.000 0.290 293 I C -0.538 175.636 176.117 0.095 0.000 0.994 293 I CA -0.461 60.906 61.300 0.113 0.000 1.191 293 I CB 0.842 38.917 38.000 0.126 0.000 1.343 293 I HN 0.249 8.545 8.210 0.143 0.000 0.458 294 I N 3.581 124.167 120.570 0.026 0.000 2.957 294 I HA 0.679 nan 4.170 nan 0.000 0.310 294 I C -2.263 173.672 176.117 -0.304 0.000 1.063 294 I CA -2.308 58.899 61.300 -0.155 0.000 1.033 294 I CB 3.058 40.894 38.000 -0.273 0.000 1.230 294 I HN 0.891 9.121 8.210 0.033 0.000 0.447 295 S N -0.773 114.641 115.700 -0.476 0.000 2.632 295 S HA 0.386 nan 4.470 nan 0.000 0.289 295 S C -1.672 172.405 174.600 -0.871 0.000 1.115 295 S CA -1.696 56.289 58.200 -0.359 0.000 0.889 295 S CB 3.311 66.603 63.200 0.154 0.000 1.116 295 S HN 0.134 8.358 8.310 -0.407 -0.159 0.486 296 F N -2.291 117.558 119.950 -0.168 0.000 2.613 296 F HA 0.505 nan 4.527 nan 0.000 0.314 296 F C -1.005 174.567 175.800 -0.381 0.000 1.075 296 F CA -1.131 56.630 58.000 -0.399 0.000 0.945 296 F CB 4.379 43.267 39.000 -0.187 0.000 1.310 296 F HN -0.110 8.265 8.300 0.126 0.000 0.467 297 K N 1.464 121.737 120.400 -0.212 0.000 2.270 297 K HA -0.100 nan 4.320 nan 0.000 0.276 297 K C -0.195 176.387 176.600 -0.029 0.000 1.023 297 K CA -0.060 56.201 56.287 -0.043 0.000 0.955 297 K CB 0.804 33.288 32.500 -0.028 0.000 0.975 297 K HN 0.391 8.516 8.250 -0.208 0.000 0.471 298 D N 0.060 120.411 120.400 -0.081 0.000 2.810 298 D HA -0.199 nan 4.640 nan 0.000 0.224 298 D C -1.960 174.299 176.300 -0.068 0.000 1.222 298 D CA 0.284 54.053 54.000 -0.385 0.000 0.698 298 D CB -1.357 39.025 40.800 -0.697 0.000 0.961 298 D HN 0.197 8.558 8.370 -0.014 0.000 0.403 299 P HA -0.110 nan 4.420 nan 0.000 0.272 299 P C -1.047 176.366 177.300 0.188 0.000 1.240 299 P CA -0.660 62.538 63.100 0.163 0.000 0.791 299 P CB 0.778 32.639 31.700 0.268 0.000 0.978 300 N N 0.254 119.009 118.700 0.093 0.000 2.497 300 N HA 0.006 nan 4.740 nan 0.000 0.268 300 N C 0.306 175.887 175.510 0.118 0.000 1.171 300 N CA -1.620 51.496 53.050 0.110 0.000 0.948 300 N CB 0.928 39.451 38.487 0.059 0.000 1.069 300 N HN 0.075 8.451 8.380 -0.008 0.000 0.460 301 P HA -0.157 nan 4.420 nan 0.000 0.217 301 P C -1.651 175.676 177.300 0.046 0.000 1.148 301 P CA 2.010 65.181 63.100 0.117 0.000 0.828 301 P CB 0.455 32.217 31.700 0.102 0.000 0.783 302 M N -7.614 111.950 119.600 -0.060 0.000 2.322 302 M HA 0.217 nan 4.480 nan 0.000 0.285 302 M C -1.973 174.131 176.300 -0.326 0.000 1.119 302 M CA -0.531 54.610 55.300 -0.265 0.000 0.953 302 M CB 3.855 36.161 32.600 -0.490 0.000 1.701 302 M HN -0.818 7.432 8.290 -0.033 0.019 0.479 303 H N -0.798 118.294 119.070 0.037 0.000 4.932 303 H HA -0.345 nan 4.556 nan 0.000 0.318 303 H C -1.267 174.083 175.328 0.036 0.000 0.672 303 H CA 0.013 56.092 56.048 0.051 0.000 0.810 303 H CB -0.684 29.113 29.762 0.058 0.000 1.235 303 H HN 0.425 9.081 8.280 0.019 -0.365 0.336 304 I N 1.239 121.922 120.570 0.188 0.000 4.035 304 I HA 0.118 nan 4.170 nan 0.000 0.321 304 I C -0.280 175.889 176.117 0.087 0.000 1.289 304 I CA -0.576 60.773 61.300 0.082 0.000 1.236 304 I CB 2.137 40.219 38.000 0.137 0.000 1.076 304 I HN 0.530 8.777 8.210 0.232 0.102 0.418 305 D N 1.674 122.166 120.400 0.154 0.000 2.392 305 D HA -0.213 nan 4.640 nan 0.000 0.228 305 D C -0.799 175.552 176.300 0.084 0.000 1.003 305 D CA 1.423 55.495 54.000 0.121 0.000 0.917 305 D CB -1.033 39.923 40.800 0.261 0.000 0.890 305 D HN -0.395 8.096 8.370 0.202 0.000 0.532 306 A N -5.408 117.463 122.820 0.084 0.000 2.610 306 A HA 0.297 nan 4.320 nan 0.000 0.291 306 A C -0.595 176.977 177.584 -0.021 0.000 1.116 306 A CA -0.325 51.768 52.037 0.094 0.000 0.963 306 A CB 0.778 19.886 19.000 0.179 0.000 1.220 306 A HN -0.223 7.903 8.150 0.079 0.071 0.530 307 T N 0.259 114.747 114.554 -0.110 0.000 3.105 307 T HA 0.284 nan 4.350 nan 0.000 0.257 307 T C -1.349 173.239 174.700 -0.186 0.000 0.949 307 T CA 1.785 63.709 62.100 -0.293 0.000 0.959 307 T CB 3.035 71.557 68.868 -0.577 0.000 1.205 307 T HN -0.191 7.857 8.240 -0.057 0.158 0.496 308 F N 2.372 122.162 119.950 -0.266 0.000 3.050 308 F HA 0.315 nan 4.527 nan 0.000 0.382 308 F C -2.819 172.938 175.800 -0.071 0.000 1.246 308 F CA -0.618 57.298 58.000 -0.140 0.000 1.217 308 F CB 1.889 40.878 39.000 -0.018 0.000 1.795 308 F HN 0.040 8.343 8.300 0.005 0.000 0.622 309 N N 6.100 124.697 118.700 -0.172 0.000 2.439 309 N HA 0.284 nan 4.740 nan 0.000 0.249 309 N C -1.032 174.356 175.510 -0.202 0.000 1.003 309 N CA -1.338 51.626 53.050 -0.145 0.000 0.942 309 N CB 2.124 40.545 38.487 -0.110 0.000 1.115 309 N HN -0.060 8.191 8.380 -0.215 0.000 0.505 310 I N 6.220 126.730 120.570 -0.100 0.000 2.363 310 I HA -0.110 nan 4.170 nan 0.000 0.292 310 I C -0.260 175.870 176.117 0.022 0.000 1.075 310 I CA 0.972 62.230 61.300 -0.071 0.000 1.333 310 I CB -0.158 37.954 38.000 0.187 0.000 1.415 310 I HN 0.463 8.673 8.210 0.000 0.000 0.502 311 I N 0.551 121.037 120.570 -0.141 0.000 4.018 311 I HA 0.261 nan 4.170 nan 0.000 0.337 311 I C -0.899 175.051 176.117 -0.279 0.000 1.327 311 I CA -1.120 60.135 61.300 -0.075 0.000 1.100 311 I CB 1.158 39.135 38.000 -0.037 0.000 1.025 311 I HN -0.038 8.010 8.210 -0.270 0.000 0.396 312 G N -1.152 107.120 108.800 -0.880 0.000 2.451 312 G HA2 0.227 nan 3.960 nan 0.000 0.292 312 G HA3 0.227 nan 3.960 nan 0.000 0.292 312 G C -3.491 170.054 174.900 -2.258 0.000 1.427 312 G CA -0.392 43.749 45.100 -1.598 0.000 0.792 312 G HN -0.911 6.825 8.290 -0.925 0.000 0.498 313 P HA -0.114 nan 4.420 nan 0.000 0.262 313 P C -0.650 176.051 177.300 -0.999 0.000 1.455 313 P CA 0.461 62.751 63.100 -1.351 0.000 1.217 313 P CB -1.314 30.012 31.700 -0.623 0.000 1.625 314 G N 2.158 110.131 108.800 -1.380 0.000 2.134 314 G HA2 -0.408 nan 3.960 nan 0.000 0.209 314 G HA3 -0.408 nan 3.960 nan 0.000 0.209 314 G C -1.787 172.477 174.900 -1.059 0.000 0.993 314 G CA 0.051 44.187 45.100 -1.606 0.000 0.669 314 G HN 0.282 7.586 8.290 -1.601 0.025 0.519 315 I N -0.414 119.603 120.570 -0.921 0.000 2.465 315 I HA 0.809 nan 4.170 nan 0.000 0.291 315 I C -2.196 173.621 176.117 -0.501 0.000 1.014 315 I CA -0.505 60.471 61.300 -0.539 0.000 1.093 315 I CB 2.494 40.239 38.000 -0.424 0.000 1.267 315 I HN -0.563 6.888 8.210 -1.110 0.093 0.431 316 V N 6.663 126.355 119.914 -0.369 0.000 2.888 316 V HA 0.715 nan 4.120 nan 0.000 0.309 316 V C -2.530 173.340 176.094 -0.373 0.000 1.114 316 V CA -2.158 59.871 62.300 -0.451 0.000 0.940 316 V CB 4.562 35.952 31.823 -0.721 0.000 1.021 316 V HN 0.579 8.600 8.190 -0.282 0.000 0.426 317 L N 7.842 128.855 121.223 -0.350 0.000 2.255 317 L HA 0.687 nan 4.340 nan 0.000 0.289 317 L C -1.547 175.150 176.870 -0.289 0.000 1.046 317 L CA -1.386 53.311 54.840 -0.239 0.000 0.816 317 L CB -0.105 41.881 42.059 -0.121 0.000 1.197 317 L HN 0.612 8.513 8.230 -0.371 0.106 0.427 318 S N 5.006 120.571 115.700 -0.225 0.000 2.448 318 S HA 0.124 nan 4.470 nan 0.000 0.320 318 S C -1.052 173.433 174.600 -0.191 0.000 1.071 318 S CA -1.841 56.274 58.200 -0.141 0.000 1.113 318 S CB 0.898 64.073 63.200 -0.041 0.000 0.972 318 S HN 0.410 8.604 8.310 -0.193 0.000 0.465 319 N N 9.701 128.232 118.700 -0.282 0.000 2.414 319 N HA 0.026 nan 4.740 nan 0.000 0.268 319 N C 0.221 175.442 175.510 -0.481 0.000 1.286 319 N CA -1.224 51.478 53.050 -0.579 0.000 0.896 319 N CB 0.767 38.848 38.487 -0.677 0.000 1.093 319 N HN -0.097 8.150 8.380 -0.222 0.000 0.480 320 P HA -0.211 nan 4.420 nan 0.000 0.217 320 P C -0.323 176.873 177.300 -0.174 0.000 1.148 320 P CA 2.447 65.414 63.100 -0.222 0.000 0.828 320 P CB -0.296 31.347 31.700 -0.096 0.000 0.783 321 D N -4.230 116.006 120.400 -0.273 0.000 2.323 321 D HA -0.018 nan 4.640 nan 0.000 0.209 321 D C 0.353 176.574 176.300 -0.132 0.000 0.973 321 D CA 0.943 54.871 54.000 -0.120 0.000 0.874 321 D CB -0.225 40.576 40.800 0.002 0.000 0.930 321 D HN -0.033 7.994 8.370 -0.540 0.019 0.521 322 R N -0.882 119.504 120.500 -0.191 0.000 2.748 322 R HA 0.437 nan 4.340 nan 0.000 0.283 322 R C -2.915 173.377 176.300 -0.012 0.000 1.507 322 R CA -2.734 53.297 56.100 -0.115 0.000 1.666 322 R CB 0.547 30.729 30.300 -0.196 0.000 1.237 322 R HN -0.470 7.477 8.270 -0.275 0.158 0.633 323 P HA -0.073 nan 4.420 nan 0.000 0.268 323 P C -1.307 176.001 177.300 0.014 0.000 1.204 323 P CA -0.557 62.557 63.100 0.024 0.000 0.768 323 P CB 0.627 32.322 31.700 -0.008 0.000 0.842 324 C N 4.536 123.876 119.300 0.066 0.000 2.566 324 C HA 0.105 nan 4.460 nan 0.000 0.393 324 C C 1.909 176.776 174.990 -0.205 0.000 1.309 324 C CA -0.860 58.026 59.018 -0.221 0.000 1.801 324 C CB -0.310 27.303 27.740 -0.211 0.000 2.493 324 C HN 0.668 8.980 8.230 0.136 0.000 0.575 325 H N 8.137 127.094 119.070 -0.189 0.000 2.489 325 H HA -0.300 nan 4.556 nan 0.000 0.293 325 H C 1.005 176.281 175.328 -0.087 0.000 1.066 325 H CA 2.363 58.349 56.048 -0.105 0.000 1.305 325 H CB 0.068 29.769 29.762 -0.103 0.000 1.386 325 H HN 0.775 8.571 8.280 -0.622 0.110 0.551 326 Q N -2.924 116.869 119.800 -0.012 0.000 2.201 326 Q HA 0.151 nan 4.340 nan 0.000 0.236 326 Q C 0.404 176.451 176.000 0.077 0.000 0.857 326 Q CA -1.191 54.606 55.803 -0.010 0.000 1.025 326 Q CB -0.757 27.942 28.738 -0.065 0.000 1.124 326 Q HN -0.640 7.505 8.270 -0.128 0.048 0.473 327 I N 1.531 122.171 120.570 0.118 0.000 2.335 327 I HA -0.511 nan 4.170 nan 0.000 0.251 327 I C 0.253 176.487 176.117 0.195 0.000 1.129 327 I CA 2.447 63.889 61.300 0.237 0.000 1.402 327 I CB 0.218 38.307 38.000 0.148 0.000 1.069 327 I HN -0.527 7.648 8.210 0.064 0.073 0.424 328 D N -0.870 119.571 120.400 0.067 0.000 2.218 328 D HA -0.288 nan 4.640 nan 0.000 0.204 328 D C 1.935 178.192 176.300 -0.072 0.000 0.976 328 D CA 4.371 58.378 54.000 0.012 0.000 0.853 328 D CB -0.248 40.549 40.800 -0.004 0.000 0.939 328 D HN 0.128 8.503 8.370 0.051 0.026 0.481 329 L N -0.433 120.673 121.223 -0.194 0.000 2.083 329 L HA -0.286 nan 4.340 nan 0.000 0.209 329 L C 0.958 177.499 176.870 -0.550 0.000 1.083 329 L CA 3.183 57.774 54.840 -0.415 0.000 0.752 329 L CB -0.163 41.516 42.059 -0.632 0.000 0.899 329 L HN -0.528 7.583 8.230 -0.155 0.026 0.433 330 F N -2.438 117.372 119.950 -0.234 0.000 2.234 330 F HA -0.299 nan 4.527 nan 0.000 0.296 330 F C 1.890 177.622 175.800 -0.113 0.000 1.089 330 F CA 3.780 61.583 58.000 -0.329 0.000 1.343 330 F CB -0.531 38.334 39.000 -0.226 0.000 1.040 330 F HN -0.662 7.416 8.300 -0.183 0.113 0.498 331 K N -0.681 119.795 120.400 0.127 0.000 2.097 331 K HA -0.348 nan 4.320 nan 0.000 0.206 331 K C 2.908 179.543 176.600 0.059 0.000 1.049 331 K CA 3.424 59.776 56.287 0.109 0.000 0.933 331 K CB -0.457 32.093 32.500 0.082 0.000 0.717 331 K HN -0.273 7.987 8.250 0.134 0.071 0.442 332 K N -0.555 119.842 120.400 -0.006 0.000 2.147 332 K HA -0.225 nan 4.320 nan 0.000 0.205 332 K C 1.567 178.164 176.600 -0.005 0.000 1.049 332 K CA 2.447 58.722 56.287 -0.020 0.000 0.936 332 K CB -0.261 32.201 32.500 -0.064 0.000 0.722 332 K HN -0.063 8.159 8.250 -0.037 0.006 0.446 333 A N -4.239 118.561 122.820 -0.033 0.000 2.206 333 A HA 0.067 nan 4.320 nan 0.000 0.211 333 A C 0.256 177.985 177.584 0.241 0.000 1.158 333 A CA -0.154 51.906 52.037 0.038 0.000 0.761 333 A CB -0.081 18.811 19.000 -0.181 0.000 0.801 333 A HN -0.550 7.413 8.150 -0.102 0.125 0.473 334 G N -2.269 106.663 108.800 0.221 0.000 2.149 334 G HA2 -0.260 nan 3.960 nan 0.000 0.235 334 G HA3 -0.260 nan 3.960 nan 0.000 0.235 334 G C -0.286 174.818 174.900 0.340 0.000 1.018 334 G CA -0.044 45.194 45.100 0.230 0.000 0.728 334 G HN -0.547 7.640 8.290 0.149 0.193 0.508 335 W N -0.666 120.674 121.300 0.066 0.000 2.316 335 W HA 0.058 nan 4.660 nan 0.000 0.321 335 W C 0.414 176.931 176.519 -0.003 0.000 1.203 335 W CA -1.530 55.840 57.345 0.041 0.000 1.214 335 W CB 0.491 30.017 29.460 0.109 0.000 1.169 335 W HN -0.556 7.917 8.180 0.489 0.000 0.561 336 T N 6.165 120.768 114.554 0.083 0.000 2.727 336 T HA 0.163 nan 4.350 nan 0.000 0.298 336 T C -1.167 173.518 174.700 -0.024 0.000 0.942 336 T CA 0.421 62.523 62.100 0.002 0.000 0.997 336 T CB -0.190 68.630 68.868 -0.080 0.000 0.917 336 T HN 0.972 9.182 8.240 -0.050 0.000 0.487 337 I N 7.817 128.391 120.570 0.006 0.000 2.312 337 I HA 0.321 nan 4.170 nan 0.000 0.291 337 I C -0.782 175.294 176.117 -0.069 0.000 1.031 337 I CA -1.108 60.168 61.300 -0.040 0.000 1.293 337 I CB 0.396 38.403 38.000 0.011 0.000 1.403 337 I HN 0.298 8.532 8.210 0.039 0.000 0.484 338 I N 10.075 130.575 120.570 -0.117 0.000 2.336 338 I HA 0.214 nan 4.170 nan 0.000 0.292 338 I C -1.271 174.773 176.117 -0.122 0.000 0.991 338 I CA -2.125 59.102 61.300 -0.121 0.000 1.227 338 I CB 0.922 38.830 38.000 -0.153 0.000 1.366 338 I HN 0.852 8.969 8.210 -0.155 0.000 0.466 339 T N 5.816 120.313 114.554 -0.095 0.000 2.770 339 T HA 0.473 nan 4.350 nan 0.000 0.297 339 T C -1.688 172.973 174.700 -0.066 0.000 0.997 339 T CA -3.887 58.161 62.100 -0.086 0.000 0.949 339 T CB 0.688 69.521 68.868 -0.060 0.000 0.941 339 T HN 0.271 8.462 8.240 -0.082 0.000 0.457 340 P HA 0.343 nan 4.420 nan 0.000 0.269 340 P C -2.450 174.926 177.300 0.127 0.000 1.215 340 P CA -1.572 61.530 63.100 0.004 0.000 0.780 340 P CB -0.639 31.110 31.700 0.082 0.000 0.898 341 P HA 0.079 nan 4.420 nan 0.000 0.276 341 P C -1.217 176.173 177.300 0.150 0.000 1.252 341 P CA -0.267 62.893 63.100 0.099 0.000 0.802 341 P CB 0.592 32.302 31.700 0.016 0.000 1.035 342 T N -4.251 110.344 114.554 0.069 0.000 2.926 342 T HA 0.041 nan 4.350 nan 0.000 0.307 342 T C -1.459 173.054 174.700 -0.312 0.000 1.059 342 T CA -2.058 59.934 62.100 -0.180 0.000 1.122 342 T CB -0.984 67.816 68.868 -0.113 0.000 0.972 342 T HN -0.111 8.171 8.240 0.069 0.000 0.545 343 P HA 0.097 nan 4.420 nan 0.000 0.271 343 P C -0.792 176.357 177.300 -0.251 0.000 1.218 343 P CA -0.451 62.412 63.100 -0.394 0.000 0.780 343 P CB 0.528 31.899 31.700 -0.548 0.000 0.901 344 I N -5.305 115.168 120.570 -0.161 0.000 4.018 344 I HA 0.217 nan 4.170 nan 0.000 0.337 344 I C 0.330 176.378 176.117 -0.114 0.000 1.327 344 I CA -1.143 60.085 61.300 -0.120 0.000 1.100 344 I CB 0.677 38.627 38.000 -0.083 0.000 1.025 344 I HN -0.087 8.520 8.210 -0.138 -0.480 0.396 345 I N 2.896 123.388 120.570 -0.129 0.000 2.775 345 I HA -0.107 nan 4.170 nan 0.000 0.290 345 I C -1.994 174.067 176.117 -0.093 0.000 1.203 345 I CA -1.615 59.615 61.300 -0.117 0.000 1.433 345 I CB 0.706 38.639 38.000 -0.113 0.000 1.354 345 I HN -0.740 7.390 8.210 -0.153 -0.012 0.579 346 P HA 0.099 nan 4.420 nan 0.000 0.268 346 P C -0.311 176.975 177.300 -0.023 0.000 1.204 346 P CA -0.215 62.859 63.100 -0.044 0.000 0.768 346 P CB 0.733 32.415 31.700 -0.029 0.000 0.842 347 D N 1.786 122.160 120.400 -0.042 0.000 2.350 347 D HA -0.272 nan 4.640 nan 0.000 0.216 347 D C 0.643 176.920 176.300 -0.040 0.000 0.968 347 D CA 2.917 56.886 54.000 -0.052 0.000 0.894 347 D CB -0.156 40.602 40.800 -0.070 0.000 0.909 347 D HN 0.450 8.791 8.370 -0.049 0.000 0.520 348 D N -5.743 114.646 120.400 -0.017 0.000 2.323 348 D HA -0.188 nan 4.640 nan 0.000 0.209 348 D C 0.227 176.530 176.300 0.003 0.000 0.973 348 D CA 0.663 54.654 54.000 -0.015 0.000 0.874 348 D CB -0.334 40.462 40.800 -0.006 0.000 0.930 348 D HN 0.036 8.347 8.370 -0.013 0.052 0.521 349 H N 3.438 122.462 119.070 -0.076 0.000 2.848 349 H HA 0.074 nan 4.556 nan 0.000 0.317 349 H C -1.608 173.632 175.328 -0.147 0.000 1.046 349 H CA -1.752 54.238 56.048 -0.096 0.000 1.470 349 H CB 1.069 30.776 29.762 -0.092 0.000 1.483 349 H HN -0.523 7.659 8.280 0.101 0.159 0.548 350 P HA 0.044 nan 4.420 nan 0.000 0.276 350 P C -1.986 174.684 177.300 -1.051 0.000 1.243 350 P CA -0.066 62.533 63.100 -0.836 0.000 0.768 350 P CB 0.831 31.852 31.700 -1.132 0.000 0.856 351 L N 2.994 123.772 121.223 -0.741 0.000 2.417 351 L HA 0.253 nan 4.340 nan 0.000 0.259 351 L C -0.245 176.173 176.870 -0.753 0.000 1.023 351 L CA -0.896 53.625 54.840 -0.533 0.000 0.901 351 L CB 0.320 42.289 42.059 -0.151 0.000 1.227 351 L HN -0.082 7.883 8.230 -0.443 0.000 0.454 352 W N 1.329 122.314 121.300 -0.525 0.000 2.350 352 W HA -0.265 nan 4.660 nan 0.000 0.289 352 W C -0.340 176.168 176.519 -0.018 0.000 1.215 352 W CA 2.333 59.388 57.345 -0.483 0.000 1.236 352 W CB 0.353 29.749 29.460 -0.106 0.000 1.130 352 W HN -0.206 7.566 8.180 -0.680 0.000 0.541 353 M N -6.021 113.736 119.600 0.262 0.000 2.667 353 M HA 0.121 nan 4.480 nan 0.000 0.286 353 M C -1.351 175.097 176.300 0.247 0.000 1.270 353 M CA -1.112 54.387 55.300 0.332 0.000 0.826 353 M CB 3.853 36.673 32.600 0.366 0.000 1.743 353 M HN -0.899 7.453 8.290 0.153 0.029 0.460 354 S N -0.741 115.123 115.700 0.273 0.000 3.514 354 S HA -0.325 nan 4.470 nan 0.000 0.634 354 S C -2.024 172.777 174.600 0.336 0.000 2.489 354 S CA 0.747 59.106 58.200 0.266 0.000 2.771 354 S CB 0.091 63.422 63.200 0.217 0.000 0.328 354 S HN 0.882 9.356 8.310 0.273 0.000 1.714 355 S N -1.582 114.293 115.700 0.292 0.000 2.776 355 S HA 0.362 nan 4.470 nan 0.000 0.292 355 S C -0.446 174.245 174.600 0.153 0.000 1.187 355 S CA -0.576 57.791 58.200 0.277 0.000 0.834 355 S CB 2.895 66.346 63.200 0.418 0.000 1.199 355 S HN -0.077 8.387 8.310 0.256 0.000 0.514 356 K N -1.382 119.040 120.400 0.036 0.000 2.280 356 K HA -0.182 nan 4.320 nan 0.000 0.202 356 K C 1.425 177.938 176.600 -0.145 0.000 1.047 356 K CA 2.195 58.411 56.287 -0.119 0.000 0.942 356 K CB -0.395 31.937 32.500 -0.281 0.000 0.739 356 K HN 0.473 8.742 8.250 0.032 0.000 0.457 357 W N -1.437 119.909 121.300 0.077 0.000 3.109 357 W HA -0.135 nan 4.660 nan 0.000 0.242 357 W C 1.370 177.938 176.519 0.081 0.000 1.318 357 W CA 0.613 58.000 57.345 0.071 0.000 1.491 357 W CB -0.575 28.925 29.460 0.067 0.000 1.120 357 W HN -0.679 7.598 8.180 0.215 0.032 0.715 358 L N 0.114 121.475 121.223 0.230 0.000 2.353 358 L HA -0.472 nan 4.340 nan 0.000 0.220 358 L C 1.953 178.934 176.870 0.184 0.000 1.133 358 L CA 2.512 57.466 54.840 0.190 0.000 0.798 358 L CB -0.786 41.351 42.059 0.129 0.000 0.922 358 L HN -0.624 7.602 8.230 0.166 0.104 0.445 359 S N 1.469 117.268 115.700 0.165 0.000 2.400 359 S HA -0.311 nan 4.470 nan 0.000 0.232 359 S C 1.273 176.030 174.600 0.260 0.000 1.025 359 S CA 3.228 61.531 58.200 0.171 0.000 0.993 359 S CB -0.045 63.204 63.200 0.083 0.000 0.808 359 S HN -0.422 7.916 8.310 0.121 0.044 0.478 360 M N -4.704 115.079 119.600 0.306 0.000 2.495 360 M HA 0.221 nan 4.480 nan 0.000 0.237 360 M C 0.129 176.565 176.300 0.227 0.000 1.131 360 M CA 0.059 55.529 55.300 0.282 0.000 1.032 360 M CB 0.469 33.225 32.600 0.261 0.000 1.513 360 M HN -0.513 7.861 8.290 0.353 0.128 0.488 361 N N 3.451 122.294 118.700 0.239 0.000 3.243 361 N HA 0.073 nan 4.740 nan 0.000 0.310 361 N C -1.230 174.460 175.510 0.299 0.000 1.313 361 N CA -0.796 52.391 53.050 0.228 0.000 1.204 361 N CB -0.958 37.666 38.487 0.229 0.000 1.483 361 N HN -0.404 7.924 8.380 0.253 0.203 0.553 362 V N -3.868 116.195 119.914 0.248 0.000 3.133 362 V HA 0.444 nan 4.120 nan 0.000 0.305 362 V C -1.362 174.847 176.094 0.192 0.000 1.084 362 V CA -1.667 60.765 62.300 0.221 0.000 1.089 362 V CB 0.763 32.619 31.823 0.055 0.000 1.073 362 V HN -0.481 7.834 8.190 0.193 -0.009 0.477 363 L N 2.693 123.991 121.223 0.125 0.000 2.333 363 L HA 0.522 nan 4.340 nan 0.000 0.280 363 L C -1.285 175.588 176.870 0.006 0.000 1.004 363 L CA -0.887 54.041 54.840 0.148 0.000 0.820 363 L CB 3.746 45.914 42.059 0.181 0.000 1.247 363 L HN -0.416 7.815 8.230 0.002 0.000 0.416 364 M N 5.199 124.828 119.600 0.050 0.000 2.108 364 M HA 0.345 nan 4.480 nan 0.000 0.354 364 M C 0.550 176.860 176.300 0.017 0.000 1.229 364 M CA -1.488 53.816 55.300 0.008 0.000 1.081 364 M CB -0.815 31.834 32.600 0.081 0.000 1.606 364 M HN 0.759 9.124 8.290 0.125 0.000 0.467 365 L N 3.263 124.471 121.223 -0.026 0.000 2.240 365 L HA -0.183 nan 4.340 nan 0.000 0.211 365 L C -0.363 176.513 176.870 0.010 0.000 1.106 365 L CA 2.351 57.182 54.840 -0.015 0.000 0.793 365 L CB -0.298 41.736 42.059 -0.042 0.000 0.927 365 L HN 0.738 8.927 8.230 -0.067 0.000 0.446 366 D N -5.121 115.292 120.400 0.022 0.000 2.865 366 D HA 0.011 nan 4.640 nan 0.000 0.343 366 D C -0.247 176.097 176.300 0.074 0.000 1.372 366 D CA -0.321 53.716 54.000 0.061 0.000 0.862 366 D CB -0.021 40.804 40.800 0.042 0.000 1.425 366 D HN -0.649 7.698 8.370 0.001 0.024 0.501 367 E N -2.370 117.884 120.200 0.091 0.000 2.265 367 E HA -0.259 nan 4.350 nan 0.000 0.196 367 E C 0.686 177.272 176.600 -0.024 0.000 0.996 367 E CA 2.671 59.090 56.400 0.032 0.000 0.832 367 E CB 0.061 29.763 29.700 0.003 0.000 0.756 367 E HN 0.207 8.628 8.360 0.102 0.000 0.491 368 K N -4.601 115.788 120.400 -0.019 0.000 2.438 368 K HA 0.273 nan 4.320 nan 0.000 0.205 368 K C -1.780 174.787 176.600 -0.055 0.000 1.033 368 K CA -1.180 55.086 56.287 -0.034 0.000 1.089 368 K CB 0.868 33.355 32.500 -0.021 0.000 0.857 368 K HN -0.089 8.459 8.250 -0.002 -0.298 0.522 369 R N -1.362 119.094 120.500 -0.073 0.000 2.514 369 R HA 0.557 nan 4.340 nan 0.000 0.296 369 R C -2.524 173.679 176.300 -0.162 0.000 1.012 369 R CA -0.448 55.590 56.100 -0.105 0.000 0.897 369 R CB 3.313 33.569 30.300 -0.073 0.000 1.184 369 R HN -0.609 7.654 8.270 -0.058 -0.028 0.440 370 V N 4.630 124.390 119.914 -0.258 0.000 2.735 370 V HA 0.739 nan 4.120 nan 0.000 0.310 370 V C -2.424 173.448 176.094 -0.369 0.000 1.061 370 V CA -2.708 59.374 62.300 -0.364 0.000 0.913 370 V CB 4.372 35.776 31.823 -0.700 0.000 1.005 370 V HN 0.742 8.783 8.190 -0.249 0.000 0.428 371 M N 9.533 128.896 119.600 -0.395 0.000 2.069 371 M HA 0.537 nan 4.480 nan 0.000 0.349 371 M C -2.344 173.487 176.300 -0.783 0.000 1.194 371 M CA -0.163 54.777 55.300 -0.599 0.000 1.081 371 M CB 0.886 33.099 32.600 -0.645 0.000 1.500 371 M HN 0.467 8.562 8.290 -0.325 0.000 0.438 372 V N 5.756 125.333 119.914 -0.562 0.000 2.960 372 V HA 0.473 nan 4.120 nan 0.000 0.315 372 V C -2.603 173.496 176.094 0.009 0.000 1.087 372 V CA -3.456 58.725 62.300 -0.198 0.000 0.982 372 V CB 4.128 35.909 31.823 -0.070 0.000 1.039 372 V HN 0.240 8.149 8.190 -0.469 0.000 0.437 373 D N 3.427 124.032 120.400 0.343 0.000 2.458 373 D HA -0.089 nan 4.640 nan 0.000 0.243 373 D C 0.844 177.222 176.300 0.129 0.000 1.146 373 D CA 1.384 55.574 54.000 0.316 0.000 0.877 373 D CB 1.346 42.279 40.800 0.222 0.000 1.176 373 D HN 0.282 8.882 8.370 0.384 0.000 0.461 374 A N 8.085 130.960 122.820 0.092 0.000 2.024 374 A HA -0.275 nan 4.320 nan 0.000 0.220 374 A C 1.104 178.697 177.584 0.016 0.000 1.164 374 A CA 2.636 54.693 52.037 0.033 0.000 0.643 374 A CB 0.039 19.049 19.000 0.016 0.000 0.806 374 A HN 0.726 8.843 8.150 0.133 0.112 0.451 375 N N -3.639 115.066 118.700 0.009 0.000 2.376 375 N HA -0.085 nan 4.740 nan 0.000 0.177 375 N C 0.257 175.761 175.510 -0.009 0.000 1.024 375 N CA 2.025 55.065 53.050 -0.017 0.000 0.893 375 N CB 0.499 38.955 38.487 -0.051 0.000 0.980 375 N HN -0.316 8.319 8.380 0.020 -0.243 0.439 376 E N 1.287 121.497 120.200 0.017 0.000 1.999 376 E HA 0.006 nan 4.350 nan 0.000 0.296 376 E C 0.069 176.688 176.600 0.032 0.000 1.187 376 E CA -0.353 56.059 56.400 0.021 0.000 1.229 376 E CB -1.950 27.782 29.700 0.054 0.000 1.131 376 E HN -0.550 7.732 8.360 0.040 0.102 0.478 377 V N 3.175 123.095 119.914 0.011 0.000 2.332 377 V HA -0.283 nan 4.120 nan 0.000 0.248 377 V C -0.560 175.542 176.094 0.013 0.000 1.055 377 V CA 6.216 68.523 62.300 0.013 0.000 1.038 377 V CB -2.639 29.183 31.823 -0.001 0.000 0.651 377 V HN -0.103 8.034 8.190 -0.004 0.052 0.450 378 P HA -0.225 nan 4.420 nan 0.000 0.215 378 P C 1.480 178.772 177.300 -0.013 0.000 1.153 378 P CA 3.485 66.579 63.100 -0.010 0.000 0.853 378 P CB -0.343 31.346 31.700 -0.020 0.000 0.788 379 I N -3.417 117.157 120.570 0.007 0.000 2.676 379 I HA -0.407 nan 4.170 nan 0.000 0.259 379 I C 1.132 177.290 176.117 0.068 0.000 1.194 379 I CA 1.954 63.245 61.300 -0.016 0.000 1.473 379 I CB -0.204 37.834 38.000 0.063 0.000 1.096 379 I HN -0.717 7.507 8.210 0.023 0.000 0.443 380 Q N 0.343 120.220 119.800 0.128 0.000 2.046 380 Q HA -0.394 nan 4.340 nan 0.000 0.200 380 Q C 2.438 178.510 176.000 0.120 0.000 0.975 380 Q CA 3.676 59.586 55.803 0.177 0.000 0.836 380 Q CB -0.229 28.566 28.738 0.094 0.000 0.896 380 Q HN -0.440 7.758 8.270 0.088 0.125 0.428 381 K N -0.745 119.681 120.400 0.042 0.000 2.057 381 K HA -0.284 nan 4.320 nan 0.000 0.207 381 K C 2.200 178.790 176.600 -0.017 0.000 1.049 381 K CA 2.193 58.487 56.287 0.013 0.000 0.931 381 K CB -0.749 31.748 32.500 -0.006 0.000 0.714 381 K HN -0.297 7.972 8.250 0.030 0.000 0.440 382 M N -0.170 119.379 119.600 -0.086 0.000 2.080 382 M HA -0.389 nan 4.480 nan 0.000 0.260 382 M C 2.130 178.323 176.300 -0.178 0.000 1.068 382 M CA 3.924 59.114 55.300 -0.184 0.000 1.109 382 M CB -0.083 32.318 32.600 -0.331 0.000 1.342 382 M HN -0.696 7.543 8.290 -0.086 0.000 0.405 383 F N -2.619 117.318 119.950 -0.022 0.000 2.134 383 F HA -0.390 nan 4.527 nan 0.000 0.299 383 F C 2.286 178.066 175.800 -0.033 0.000 1.097 383 F CA 3.642 61.622 58.000 -0.033 0.000 1.264 383 F CB -0.832 38.148 39.000 -0.033 0.000 1.001 383 F HN -0.479 7.740 8.300 -0.136 0.000 0.479 384 E N -0.516 119.772 120.200 0.148 0.000 2.110 384 E HA -0.353 nan 4.350 nan 0.000 0.193 384 E C 2.993 179.614 176.600 0.034 0.000 0.988 384 E CA 3.265 59.709 56.400 0.073 0.000 0.804 384 E CB -0.388 29.342 29.700 0.051 0.000 0.745 384 E HN -0.077 8.301 8.360 0.155 0.075 0.458 385 K N -0.359 120.049 120.400 0.013 0.000 2.288 385 K HA -0.205 nan 4.320 nan 0.000 0.201 385 K C 1.414 178.011 176.600 -0.006 0.000 1.048 385 K CA 2.444 58.728 56.287 -0.005 0.000 0.956 385 K CB -0.122 32.365 32.500 -0.022 0.000 0.746 385 K HN -0.004 8.250 8.250 0.006 0.000 0.461 386 L N -3.776 117.449 121.223 0.004 0.000 2.554 386 L HA -0.028 nan 4.340 nan 0.000 0.226 386 L C -0.027 176.851 176.870 0.013 0.000 1.137 386 L CA -0.007 54.835 54.840 0.003 0.000 0.863 386 L CB 0.098 42.164 42.059 0.013 0.000 0.985 386 L HN -0.847 7.256 8.230 0.015 0.135 0.451 387 G N -2.462 106.351 108.800 0.022 0.000 2.132 387 G HA2 -0.372 nan 3.960 nan 0.000 0.228 387 G HA3 -0.372 nan 3.960 nan 0.000 0.228 387 G C -0.497 174.412 174.900 0.015 0.000 1.000 387 G CA -0.015 45.092 45.100 0.012 0.000 0.693 387 G HN -0.537 7.585 8.290 0.029 0.186 0.515 388 I N 0.332 120.928 120.570 0.043 0.000 2.354 388 I HA -0.007 nan 4.170 nan 0.000 0.292 388 I C -0.606 175.510 176.117 -0.001 0.000 0.989 388 I CA -0.972 60.340 61.300 0.019 0.000 1.188 388 I CB 0.954 38.982 38.000 0.048 0.000 1.342 388 I HN -0.350 7.906 8.210 0.077 0.000 0.457 389 T N 10.319 124.851 114.554 -0.036 0.000 2.817 389 T HA 0.050 nan 4.350 nan 0.000 0.295 389 T C -0.199 174.447 174.700 -0.089 0.000 0.958 389 T CA 0.920 62.992 62.100 -0.047 0.000 1.157 389 T CB -0.039 68.800 68.868 -0.048 0.000 0.898 389 T HN 0.517 8.733 8.240 -0.040 0.000 0.536 390 T N 3.154 117.666 114.554 -0.070 0.000 2.806 390 T HA 0.584 nan 4.350 nan 0.000 0.290 390 T C -0.309 174.324 174.700 -0.112 0.000 0.966 390 T CA -1.898 60.137 62.100 -0.109 0.000 1.060 390 T CB 0.354 69.198 68.868 -0.040 0.000 0.927 390 T HN 0.254 8.474 8.240 -0.034 0.000 0.485 391 I N 6.580 127.049 120.570 -0.167 0.000 2.388 391 I HA 0.203 nan 4.170 nan 0.000 0.281 391 I C -1.040 174.964 176.117 -0.188 0.000 1.046 391 I CA -0.765 60.440 61.300 -0.158 0.000 1.187 391 I CB 0.785 38.680 38.000 -0.176 0.000 1.351 391 I HN 0.873 8.948 8.210 -0.224 0.000 0.472 392 K N 6.795 127.125 120.400 -0.116 0.000 2.312 392 K HA 0.211 nan 4.320 nan 0.000 0.287 392 K C -1.172 175.392 176.600 -0.061 0.000 1.062 392 K CA 0.288 56.525 56.287 -0.084 0.000 0.934 392 K CB 0.183 32.662 32.500 -0.035 0.000 1.027 392 K HN 0.204 8.402 8.250 -0.087 0.000 0.478 393 V N 3.841 123.742 119.914 -0.022 0.000 2.709 393 V HA 0.219 nan 4.120 nan 0.000 0.308 393 V C -1.574 174.619 176.094 0.166 0.000 1.062 393 V CA -1.798 60.541 62.300 0.065 0.000 0.901 393 V CB 4.092 35.971 31.823 0.094 0.000 1.003 393 V HN 0.352 8.527 8.190 -0.025 0.000 0.425 394 N N 5.142 123.884 118.700 0.069 0.000 2.422 394 N HA 0.331 nan 4.740 nan 0.000 0.266 394 N C -0.479 175.009 175.510 -0.037 0.000 1.007 394 N CA -0.052 53.011 53.050 0.021 0.000 0.941 394 N CB 0.739 39.211 38.487 -0.025 0.000 1.115 394 N HN 0.264 8.663 8.380 0.032 0.000 0.492 395 I N -0.375 120.137 120.570 -0.097 0.000 3.171 395 I HA 0.415 nan 4.170 nan 0.000 0.329 395 I C 0.007 176.010 176.117 -0.189 0.000 1.522 395 I CA -1.900 59.266 61.300 -0.224 0.000 0.948 395 I CB 0.325 38.057 38.000 -0.446 0.000 1.527 395 I HN -0.363 7.993 8.210 -0.065 -0.185 0.547 396 R N 3.450 123.858 120.500 -0.153 0.000 2.117 396 R HA -0.413 nan 4.340 nan 0.000 0.243 396 R C 0.841 177.107 176.300 -0.056 0.000 1.143 396 R CA 3.654 59.640 56.100 -0.191 0.000 0.968 396 R CB -0.379 29.751 30.300 -0.282 0.000 0.863 396 R HN 0.112 8.584 8.270 -0.139 -0.284 0.444 397 N N -1.418 117.264 118.700 -0.031 0.000 2.376 397 N HA -0.147 nan 4.740 nan 0.000 0.177 397 N C 2.319 177.963 175.510 0.223 0.000 1.024 397 N CA 3.132 56.236 53.050 0.089 0.000 0.893 397 N CB -0.193 38.173 38.487 -0.202 0.000 0.980 397 N HN -0.457 8.273 8.380 -0.102 -0.411 0.439 398 A N 1.298 124.134 122.820 0.026 0.000 1.969 398 A HA -0.233 nan 4.320 nan 0.000 0.218 398 A C 2.079 179.816 177.584 0.254 0.000 1.169 398 A CA 2.922 54.969 52.037 0.016 0.000 0.635 398 A CB -0.753 17.897 19.000 -0.583 0.000 0.810 398 A HN 0.228 8.500 8.150 -0.090 -0.175 0.445 399 N N -1.757 117.028 118.700 0.142 0.000 2.137 399 N HA -0.290 nan 4.740 nan 0.000 0.190 399 N C 2.581 178.188 175.510 0.162 0.000 1.017 399 N CA 2.580 55.730 53.050 0.167 0.000 0.859 399 N CB -0.820 37.727 38.487 0.100 0.000 1.002 399 N HN 0.226 8.620 8.380 0.032 0.005 0.428 400 S N 1.173 116.955 115.700 0.136 0.000 2.419 400 S HA -0.270 nan 4.470 nan 0.000 0.235 400 S C 1.587 176.222 174.600 0.059 0.000 1.019 400 S CA 3.224 61.336 58.200 -0.147 0.000 0.982 400 S CB -0.331 62.547 63.200 -0.536 0.000 0.789 400 S HN -0.545 7.785 8.310 0.252 0.131 0.490 401 L N -3.571 117.754 121.223 0.170 0.000 2.376 401 L HA -0.234 nan 4.340 nan 0.000 0.219 401 L C 0.581 177.544 176.870 0.155 0.000 1.133 401 L CA 1.297 56.205 54.840 0.113 0.000 0.816 401 L CB 0.204 42.281 42.059 0.029 0.000 0.933 401 L HN -0.557 7.788 8.230 0.237 0.028 0.449 402 G N -4.370 104.519 108.800 0.148 0.000 2.227 402 G HA2 -0.139 nan 3.960 nan 0.000 0.168 402 G HA3 -0.139 nan 3.960 nan 0.000 0.168 402 G C -1.518 173.449 174.900 0.113 0.000 1.006 402 G CA -0.341 44.850 45.100 0.152 0.000 0.684 402 G HN -0.271 7.951 8.290 0.161 0.165 0.489 403 G N -3.109 105.764 108.800 0.121 0.000 2.684 403 G HA2 0.243 nan 3.960 nan 0.000 0.290 403 G HA3 0.243 nan 3.960 nan 0.000 0.290 403 G C -1.869 173.199 174.900 0.281 0.000 1.425 403 G CA -0.970 44.209 45.100 0.132 0.000 0.822 403 G HN -1.096 7.319 8.290 0.208 0.000 0.482 404 G N -2.103 106.820 108.800 0.204 0.000 3.008 404 G HA2 0.632 nan 3.960 nan 0.000 0.181 404 G HA3 0.632 nan 3.960 nan 0.000 0.181 404 G C 0.005 174.917 174.900 0.019 0.000 1.309 404 G CA -1.296 43.810 45.100 0.010 0.000 1.009 404 G HN -0.621 7.780 8.290 0.185 0.000 0.584 405 F N -0.187 119.891 119.950 0.214 0.000 2.134 405 F HA -0.296 nan 4.527 nan 0.000 0.299 405 F C 1.303 177.235 175.800 0.219 0.000 1.097 405 F CA 3.881 61.993 58.000 0.186 0.000 1.264 405 F CB 0.031 39.095 39.000 0.107 0.000 1.001 405 F HN -0.256 7.930 8.300 -0.189 0.000 0.479 406 H N -2.264 116.969 119.070 0.272 0.000 2.389 406 H HA -0.279 nan 4.556 nan 0.000 0.299 406 H C 2.172 177.571 175.328 0.118 0.000 1.081 406 H CA 4.359 60.514 56.048 0.178 0.000 1.345 406 H CB 1.030 30.884 29.762 0.152 0.000 1.393 406 H HN -0.453 8.108 8.280 0.468 0.000 0.520 407 C N -1.183 118.200 119.300 0.138 0.000 2.446 407 C HA -0.234 nan 4.460 nan 0.000 0.277 407 C C 1.986 176.916 174.990 -0.100 0.000 1.275 407 C CA 4.492 63.491 59.018 -0.031 0.000 1.727 407 C CB -1.426 26.292 27.740 -0.037 0.000 2.010 407 C HN 0.268 8.639 8.230 0.235 0.000 0.486 408 W N -2.292 118.972 121.300 -0.061 0.000 3.077 408 W HA -0.166 nan 4.660 nan 0.000 0.245 408 W C -1.137 175.370 176.519 -0.020 0.000 1.316 408 W CA 1.585 58.894 57.345 -0.059 0.000 1.537 408 W CB -0.433 28.984 29.460 -0.072 0.000 1.131 408 W HN -0.085 8.287 8.180 0.321 0.000 0.695 409 T N -8.211 106.416 114.554 0.121 0.000 2.865 409 T HA 0.587 nan 4.350 nan 0.000 0.294 409 T C -2.754 171.919 174.700 -0.046 0.000 1.119 409 T CA -2.308 59.836 62.100 0.074 0.000 1.007 409 T CB 3.441 72.365 68.868 0.094 0.000 1.225 409 T HN -0.669 7.530 8.240 0.055 0.074 0.515 410 C N 2.243 121.528 119.300 -0.025 0.000 2.620 410 C HA 0.409 nan 4.460 nan 0.000 0.356 410 C C -2.089 172.880 174.990 -0.034 0.000 1.082 410 C CA -1.224 57.753 59.018 -0.068 0.000 1.293 410 C CB 1.899 29.598 27.740 -0.069 0.000 1.836 410 C HN 0.302 8.549 8.230 0.028 0.000 0.453 411 D N 7.603 127.971 120.400 -0.054 0.000 2.346 411 D HA -0.050 nan 4.640 nan 0.000 0.260 411 D C -0.535 175.720 176.300 -0.075 0.000 1.252 411 D CA 0.537 54.511 54.000 -0.043 0.000 0.895 411 D CB -0.170 40.608 40.800 -0.037 0.000 1.097 411 D HN -0.078 8.243 8.370 -0.081 0.000 0.489 412 V N 1.185 121.052 119.914 -0.078 0.000 2.599 412 V HA -0.024 nan 4.120 nan 0.000 0.245 412 V C -0.350 175.628 176.094 -0.193 0.000 1.046 412 V CA 2.335 64.540 62.300 -0.158 0.000 1.065 412 V CB 0.812 32.525 31.823 -0.184 0.000 0.703 412 V HN 0.092 8.257 8.190 -0.042 0.000 0.464 413 R N -2.099 118.321 120.500 -0.134 0.000 2.533 413 R HA 0.497 nan 4.340 nan 0.000 0.288 413 R C -2.513 173.741 176.300 -0.078 0.000 1.039 413 R CA -0.530 55.496 56.100 -0.122 0.000 0.909 413 R CB 3.176 33.409 30.300 -0.112 0.000 1.195 413 R HN -0.533 7.681 8.270 -0.093 0.000 0.438 414 R N 4.943 125.397 120.500 -0.077 0.000 2.575 414 R HA 0.529 nan 4.340 nan 0.000 0.293 414 R C -1.744 174.548 176.300 -0.013 0.000 0.983 414 R CA -1.426 54.646 56.100 -0.047 0.000 0.887 414 R CB 3.371 33.627 30.300 -0.074 0.000 1.184 414 R HN 0.719 8.929 8.270 -0.101 0.000 0.445 415 R N 4.627 125.133 120.500 0.009 0.000 2.343 415 R HA -0.152 nan 4.340 nan 0.000 0.326 415 R C -0.932 175.407 176.300 0.064 0.000 1.055 415 R CA 1.067 57.187 56.100 0.035 0.000 0.961 415 R CB -0.199 30.119 30.300 0.031 0.000 0.978 415 R HN 0.692 8.859 8.270 0.005 0.106 0.443 416 G N 4.175 113.037 108.800 0.104 0.000 2.317 416 G HA2 0.001 nan 3.960 nan 0.000 0.293 416 G HA3 0.001 nan 3.960 nan 0.000 0.293 416 G C -2.728 172.286 174.900 0.190 0.000 1.287 416 G CA 0.225 45.406 45.100 0.135 0.000 0.850 416 G HN -0.151 8.206 8.290 0.111 0.000 0.515 417 T N -3.878 110.739 114.554 0.106 0.000 2.907 417 T HA 0.330 nan 4.350 nan 0.000 0.290 417 T C -0.994 173.459 174.700 -0.413 0.000 1.066 417 T CA -1.904 60.136 62.100 -0.100 0.000 1.012 417 T CB 2.929 71.747 68.868 -0.084 0.000 1.184 417 T HN 0.074 8.377 8.240 0.105 0.000 0.522 418 L N 1.392 122.081 121.223 -0.891 0.000 2.360 418 L HA 0.158 nan 4.340 nan 0.000 0.276 418 L C -0.892 175.772 176.870 -0.344 0.000 1.121 418 L CA 0.392 54.749 54.840 -0.805 0.000 0.845 418 L CB 0.466 42.018 42.059 -0.844 0.000 1.143 418 L HN 0.115 7.860 8.230 -0.809 0.000 0.452 419 Q N 4.172 123.830 119.800 -0.237 0.000 2.626 419 Q HA 0.254 nan 4.340 nan 0.000 0.300 419 Q C -2.214 173.510 176.000 -0.459 0.000 0.988 419 Q CA -1.501 54.098 55.803 -0.341 0.000 0.761 419 Q CB 4.161 32.650 28.738 -0.415 0.000 1.494 419 Q HN 0.037 8.232 8.270 -0.125 0.000 0.439 420 S N -1.050 114.365 115.700 -0.475 0.000 2.537 420 S HA 0.320 nan 4.470 nan 0.000 0.301 420 S C -0.799 173.540 174.600 -0.435 0.000 1.092 420 S CA -1.298 56.730 58.200 -0.286 0.000 1.048 420 S CB 0.706 63.860 63.200 -0.077 0.000 1.053 420 S HN 0.149 8.219 8.310 -0.401 0.000 0.501 421 Y N 3.317 123.828 120.300 0.352 0.000 2.563 421 Y HA 0.198 nan 4.550 nan 0.000 0.250 421 Y C -0.515 175.747 175.900 0.604 0.000 1.126 421 Y CA -0.159 58.184 58.100 0.406 0.000 1.231 421 Y CB 0.995 39.697 38.460 0.403 0.000 1.288 421 Y HN 0.908 9.408 8.280 0.366 0.000 0.537 422 L N -0.959 120.586 121.223 0.537 0.000 2.667 422 L HA 0.036 nan 4.340 nan 0.000 0.232 422 L C -1.054 175.935 176.870 0.198 0.000 1.138 422 L CA -0.057 55.000 54.840 0.362 0.000 0.921 422 L CB 0.301 42.490 42.059 0.217 0.000 1.180 422 L HN -0.742 7.661 8.230 0.376 0.053 0.487 423 D N 0.000 120.517 120.400 0.195 0.000 6.856 423 D HA 0.000 nan 4.640 nan 0.000 0.175 423 D CA 0.000 54.066 54.000 0.110 0.000 0.868 423 D CB 0.000 40.858 40.800 0.096 0.000 0.688 423 D HN 0.000 8.422 8.370 0.236 0.089 0.683