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 3fks_1_K DATA FIRST_RESID 18 DATA SEQUENCE IKGVSDEANL NETGRVLAVG DGIARVFGLN NIQAEELVEF SSGVKGMALN DATA SEQUENCE LEPGQVGIVL FGSDRLVKEG ELVKRTGNIV DVPVGPGLLG RVVDALGNPI DATA SEQUENCE DGKGPIDAAG RSRAQVKAPG ILPRRSVHEP VQTGLKAVDA LVPIGRGQRE DATA SEQUENCE LIIGDRQTGK TAVALDTILN QKRWNNGSDE SKKLYCVYVA VGQKRSTVAQ DATA SEQUENCE LVQTLEQHDA MKYSIIVAAT ASEAAPLQYL APFTAASIGE WFRDNGKHAL DATA SEQUENCE IVYDDLSKQA VAYRQLSLLL RRPPGREAYP GDVFYLHSRL LERAAKLSEK DATA SEQUENCE EGSGSLTALP VIETQGGDVS AYIPTNVISI TDGQIFLEAE LFYKGIRPAI DATA SEQUENCE NVGLSVSRVG SAAQVKALKQ VAGSLKLFLA QYREVAAFAQ XXXXLDASTK DATA SEQUENCE QTLVRGERLT QLLKQNQYSP LATEEQVPLI YAGVNGHLDG IELSRIGEFE DATA SEQUENCE SSFLSYLKSN HNELLTEIRE KGELSKELLA SLKSATES 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 18 I HA 0.000 nan 4.170 nan 0.000 0.288 18 I C 0.000 176.122 176.117 0.008 0.000 1.063 18 I CA 0.000 61.304 61.300 0.007 0.000 1.566 18 I CB 0.000 38.005 38.000 0.007 0.000 1.214 19 K N 2.180 122.585 120.400 0.008 0.000 2.098 19 K HA 0.955 5.275 4.320 -0.000 0.000 0.258 19 K C 0.586 177.193 176.600 0.011 0.000 0.973 19 K CA -0.193 56.099 56.287 0.009 0.000 0.898 19 K CB 1.419 33.924 32.500 0.008 0.000 1.057 19 K HN 2.723 nan 8.250 nan 0.000 0.447 20 G N -0.543 108.265 108.800 0.012 0.000 2.539 20 G HA2 0.520 4.480 3.960 -0.000 0.000 0.258 20 G HA3 0.520 4.480 3.960 -0.000 0.000 0.258 20 G C 0.441 175.352 174.900 0.018 0.000 1.202 20 G CA 0.148 45.257 45.100 0.016 0.000 0.851 20 G HN 1.492 nan 8.290 nan 0.000 0.556 21 V N 0.143 120.072 119.914 0.024 0.000 2.763 21 V HA 0.498 4.618 4.120 -0.000 0.000 0.306 21 V C 1.258 177.372 176.094 0.033 0.000 1.059 21 V CA 1.031 63.348 62.300 0.029 0.000 1.138 21 V CB 0.307 32.152 31.823 0.037 0.000 0.940 21 V HN 1.235 nan 8.190 nan 0.000 0.489 22 S N 2.927 118.646 115.700 0.031 0.000 2.566 22 S HA 0.445 4.915 4.470 -0.000 0.000 0.166 22 S C 1.234 175.861 174.600 0.046 0.000 0.811 22 S CA 0.943 59.159 58.200 0.027 0.000 0.940 22 S CB -0.715 62.496 63.200 0.018 0.000 0.768 22 S HN 1.698 nan 8.310 nan 0.000 0.534 23 D N -0.187 120.242 120.400 0.049 0.000 2.346 23 D HA 0.447 5.087 4.640 -0.000 0.000 0.236 23 D C 1.143 177.521 176.300 0.129 0.000 1.259 23 D CA 0.704 54.748 54.000 0.073 0.000 0.898 23 D CB -0.591 40.242 40.800 0.054 0.000 1.178 23 D HN 0.747 nan 8.370 nan 0.000 0.457 24 E N -1.228 119.085 120.200 0.188 0.000 2.274 24 E HA 0.246 4.596 4.350 -0.000 0.000 0.194 24 E C 2.360 179.011 176.600 0.084 0.000 0.996 24 E CA 1.566 58.109 56.400 0.239 0.000 0.840 24 E CB -0.620 29.260 29.700 0.300 0.000 0.772 24 E HN 1.012 nan 8.360 nan 0.000 0.491 25 A N 1.303 124.161 122.820 0.062 0.000 1.969 25 A HA -0.168 4.152 4.320 -0.000 0.000 0.218 25 A C 2.072 179.669 177.584 0.022 0.000 1.169 25 A CA 1.530 53.584 52.037 0.028 0.000 0.635 25 A CB -0.236 18.780 19.000 0.026 0.000 0.810 25 A HN 0.461 nan 8.150 nan 0.000 0.445 26 N N 0.231 118.952 118.700 0.035 0.000 2.171 26 N HA -0.024 4.715 4.740 -0.000 0.000 0.184 26 N C 0.432 175.955 175.510 0.022 0.000 1.021 26 N CA 0.556 53.622 53.050 0.027 0.000 0.854 26 N CB -0.520 37.986 38.487 0.032 0.000 0.994 26 N HN 0.433 nan 8.380 nan 0.000 0.426 27 L N 2.651 123.895 121.223 0.035 0.000 2.617 27 L HA 0.038 4.378 4.340 -0.000 0.000 0.282 27 L C 0.875 177.737 176.870 -0.012 0.000 1.174 27 L CA -0.054 54.799 54.840 0.023 0.000 1.016 27 L CB -0.086 42.007 42.059 0.057 0.000 1.337 27 L HN 0.101 nan 8.230 nan 0.000 0.460 28 N N 0.644 119.335 118.700 -0.014 0.000 2.557 28 N HA 0.013 4.752 4.740 -0.000 0.000 0.217 28 N C 1.074 176.567 175.510 -0.028 0.000 1.062 28 N CA 0.286 53.321 53.050 -0.025 0.000 0.863 28 N CB 0.603 39.080 38.487 -0.018 0.000 1.390 28 N HN 0.468 nan 8.380 nan 0.000 0.445 29 E N 0.677 120.864 120.200 -0.023 0.000 2.447 29 E HA 0.087 4.437 4.350 -0.000 0.000 0.204 29 E C 0.361 176.941 176.600 -0.034 0.000 0.977 29 E CA 0.368 56.752 56.400 -0.027 0.000 0.950 29 E CB 1.012 30.700 29.700 -0.021 0.000 0.975 29 E HN 0.338 nan 8.360 nan 0.000 0.496 30 T N -1.611 112.927 114.554 -0.026 0.000 2.932 30 T HA 0.759 5.109 4.350 -0.000 0.000 0.289 30 T C 0.275 174.964 174.700 -0.018 0.000 1.039 30 T CA -0.783 61.301 62.100 -0.028 0.000 1.024 30 T CB 2.515 71.376 68.868 -0.011 0.000 1.090 30 T HN -0.012 nan 8.240 nan 0.000 0.496 31 G N 0.736 109.523 108.800 -0.022 0.000 2.660 31 G HA2 0.622 4.582 3.960 -0.000 0.000 0.294 31 G HA3 0.622 4.582 3.960 -0.000 0.000 0.294 31 G C -1.245 173.686 174.900 0.052 0.000 1.369 31 G CA -1.018 44.090 45.100 0.014 0.000 0.912 31 G HN 0.616 nan 8.290 nan 0.000 0.479 32 R N 1.016 121.594 120.500 0.130 0.000 2.265 32 R HA 0.352 4.692 4.340 -0.000 0.000 0.328 32 R C -0.156 176.237 176.300 0.156 0.000 0.969 32 R CA -0.660 55.518 56.100 0.130 0.000 0.832 32 R CB 1.504 31.878 30.300 0.123 0.000 1.139 32 R HN 0.337 nan 8.270 nan 0.000 0.457 33 V N 5.345 125.349 119.914 0.150 0.000 2.557 33 V HA -0.082 4.038 4.120 -0.000 0.000 0.301 33 V C 1.803 177.971 176.094 0.124 0.000 1.026 33 V CA 0.571 62.977 62.300 0.177 0.000 1.137 33 V CB 0.508 32.464 31.823 0.221 0.000 0.917 33 V HN 0.722 nan 8.190 nan 0.000 0.484 34 L N 4.329 125.627 121.223 0.125 0.000 2.357 34 L HA 0.563 4.903 4.340 -0.000 0.000 0.211 34 L C 0.800 177.705 176.870 0.058 0.000 1.075 34 L CA 0.961 55.851 54.840 0.083 0.000 0.830 34 L CB 0.364 42.491 42.059 0.114 0.000 0.996 34 L HN 0.805 nan 8.230 nan 0.000 0.467 35 A N -1.200 121.659 122.820 0.066 0.000 2.608 35 A HA 0.604 4.924 4.320 -0.000 0.000 0.292 35 A C -1.843 175.760 177.584 0.032 0.000 1.066 35 A CA -0.291 51.769 52.037 0.039 0.000 0.676 35 A CB 1.647 20.665 19.000 0.030 0.000 1.277 35 A HN -0.153 nan 8.150 nan 0.000 0.413 36 V N -0.069 119.847 119.914 0.004 0.000 2.969 36 V HA 0.915 5.035 4.120 -0.000 0.000 0.304 36 V C -0.289 175.785 176.094 -0.032 0.000 1.192 36 V CA 0.926 63.212 62.300 -0.023 0.000 0.962 36 V CB 1.952 33.741 31.823 -0.056 0.000 1.045 36 V HN 2.744 nan 8.190 nan 0.000 0.428 37 G N 3.452 112.227 108.800 -0.042 0.000 2.368 37 G HA2 0.476 4.436 3.960 -0.000 0.000 0.301 37 G HA3 0.476 4.436 3.960 -0.000 0.000 0.301 37 G C -0.898 173.976 174.900 -0.044 0.000 1.640 37 G CA 0.111 45.186 45.100 -0.041 0.000 0.941 37 G HN 1.192 nan 8.290 nan 0.000 0.695 38 D N -0.614 119.759 120.400 -0.047 0.000 2.775 38 D HA -0.033 4.607 4.640 -0.000 0.000 0.235 38 D C 1.744 178.005 176.300 -0.065 0.000 1.120 38 D CA 3.154 57.123 54.000 -0.051 0.000 0.708 38 D CB -1.214 39.559 40.800 -0.046 0.000 1.084 38 D HN 2.316 nan 8.370 nan 0.000 0.434 39 G N -0.748 108.009 108.800 -0.071 0.000 2.220 39 G HA2 -0.335 3.625 3.960 -0.000 0.000 0.269 39 G HA3 -0.335 3.625 3.960 -0.000 0.000 0.269 39 G C 0.552 175.396 174.900 -0.092 0.000 0.977 39 G CA 0.845 45.892 45.100 -0.087 0.000 0.634 39 G HN 0.898 nan 8.290 nan 0.000 0.539 40 I N -2.713 117.814 120.570 -0.071 0.000 2.910 40 I HA 0.912 5.082 4.170 -0.000 0.000 0.310 40 I C -0.140 175.961 176.117 -0.027 0.000 1.043 40 I CA -1.111 60.160 61.300 -0.047 0.000 1.053 40 I CB 2.460 40.436 38.000 -0.039 0.000 1.242 40 I HN 0.709 nan 8.210 nan 0.000 0.452 41 A N 3.503 126.336 122.820 0.022 0.000 2.402 41 A HA 0.636 4.956 4.320 -0.000 0.000 0.291 41 A C -0.789 176.861 177.584 0.109 0.000 1.051 41 A CA -0.765 51.309 52.037 0.061 0.000 0.716 41 A CB 1.189 20.231 19.000 0.070 0.000 1.223 41 A HN 0.786 nan 8.150 nan 0.000 0.425 42 R N 1.500 122.054 120.500 0.090 0.000 2.248 42 R HA 0.435 4.775 4.340 -0.000 0.000 0.337 42 R C -0.801 175.578 176.300 0.133 0.000 1.085 42 R CA -0.138 56.020 56.100 0.096 0.000 0.934 42 R CB 0.971 31.317 30.300 0.076 0.000 1.034 42 R HN 0.407 nan 8.270 nan 0.000 0.465 43 V N 5.142 125.134 119.914 0.131 0.000 2.394 43 V HA 0.218 4.338 4.120 -0.000 0.000 0.282 43 V C -0.268 175.905 176.094 0.132 0.000 1.031 43 V CA -0.697 61.687 62.300 0.140 0.000 0.881 43 V CB 0.995 32.874 31.823 0.093 0.000 0.982 43 V HN 0.526 nan 8.190 nan 0.000 0.451 44 F N 4.751 124.717 119.950 0.026 0.000 2.412 44 F HA 0.661 5.188 4.527 -0.000 0.000 0.348 44 F C 0.955 176.758 175.800 0.005 0.000 1.102 44 F CA 1.574 59.583 58.000 0.015 0.000 1.196 44 F CB 0.807 39.816 39.000 0.016 0.000 1.144 44 F HN 0.850 nan 8.300 nan 0.000 0.541 45 G N 4.204 112.690 108.800 -0.523 0.000 2.503 45 G HA2 -0.219 3.741 3.960 -0.000 0.000 0.235 45 G HA3 -0.219 3.741 3.960 -0.000 0.000 0.235 45 G C 0.192 174.986 174.900 -0.175 0.000 1.179 45 G CA -0.414 44.502 45.100 -0.307 0.000 0.944 45 G HN 1.332 nan 8.290 nan 0.000 0.580 46 L N 0.053 121.219 121.223 -0.095 0.000 3.717 46 L HA -0.240 4.100 4.340 -0.000 0.000 0.414 46 L C 1.827 178.649 176.870 -0.079 0.000 1.228 46 L CA 0.605 55.399 54.840 -0.076 0.000 0.918 46 L CB -1.488 40.529 42.059 -0.070 0.000 1.865 46 L HN 0.671 nan 8.230 nan 0.000 0.922 47 N N 0.700 119.347 118.700 -0.089 0.000 2.037 47 N HA -0.165 4.575 4.740 -0.000 0.000 0.196 47 N C 1.183 176.661 175.510 -0.054 0.000 1.034 47 N CA 2.138 55.139 53.050 -0.081 0.000 0.861 47 N CB -0.243 38.198 38.487 -0.076 0.000 1.039 47 N HN 0.564 nan 8.380 nan 0.000 0.427 48 N N 0.874 119.548 118.700 -0.043 0.000 2.575 48 N HA 0.042 4.782 4.740 -0.000 0.000 0.192 48 N C 0.543 176.036 175.510 -0.028 0.000 1.200 48 N CA 0.002 53.034 53.050 -0.031 0.000 0.897 48 N CB 0.056 38.528 38.487 -0.025 0.000 0.990 48 N HN 0.400 nan 8.380 nan 0.000 0.449 49 I N 0.729 121.279 120.570 -0.033 0.000 2.696 49 I HA -0.071 4.099 4.170 -0.000 0.000 0.284 49 I C 0.764 176.870 176.117 -0.017 0.000 1.129 49 I CA -0.221 61.063 61.300 -0.026 0.000 1.410 49 I CB 0.798 38.779 38.000 -0.031 0.000 1.399 49 I HN 0.103 nan 8.210 nan 0.000 0.579 50 Q N 3.949 123.743 119.800 -0.009 0.000 2.179 50 Q HA 0.590 4.930 4.340 -0.000 0.000 0.174 50 Q C -0.666 175.337 176.000 0.005 0.000 1.044 50 Q CA -0.893 54.909 55.803 -0.002 0.000 1.105 50 Q CB 0.824 29.563 28.738 0.002 0.000 1.213 50 Q HN 0.752 nan 8.270 nan 0.000 0.574 51 A N 0.325 123.152 122.820 0.012 0.000 2.304 51 A HA 0.345 4.665 4.320 -0.000 0.000 0.323 51 A C -0.567 177.036 177.584 0.031 0.000 1.195 51 A CA -0.262 51.788 52.037 0.020 0.000 0.826 51 A CB 0.373 19.385 19.000 0.020 0.000 1.184 51 A HN 0.832 nan 8.150 nan 0.000 0.496 52 E N -0.138 120.090 120.200 0.045 0.000 2.868 52 E HA -0.196 4.154 4.350 -0.000 0.000 0.278 52 E C 0.019 176.656 176.600 0.062 0.000 1.009 52 E CA 1.181 57.620 56.400 0.064 0.000 0.856 52 E CB -1.265 28.469 29.700 0.055 0.000 1.428 52 E HN 0.860 nan 8.360 nan 0.000 0.423 53 E N 1.018 121.248 120.200 0.050 0.000 2.249 53 E HA 0.346 4.696 4.350 -0.000 0.000 0.280 53 E C -0.321 176.312 176.600 0.054 0.000 1.016 53 E CA -0.634 55.788 56.400 0.037 0.000 0.830 53 E CB 0.852 30.562 29.700 0.016 0.000 1.081 53 E HN 0.120 nan 8.360 nan 0.000 0.395 54 L N 5.172 126.419 121.223 0.041 0.000 2.426 54 L HA 0.185 4.525 4.340 -0.000 0.000 0.271 54 L C -0.448 176.436 176.870 0.023 0.000 1.169 54 L CA 0.175 55.043 54.840 0.048 0.000 0.836 54 L CB 1.162 43.216 42.059 -0.009 0.000 1.112 54 L HN 0.461 nan 8.230 nan 0.000 0.465 55 V N 1.146 121.084 119.914 0.039 0.000 3.155 55 V HA 0.734 4.854 4.120 -0.000 0.000 0.313 55 V C -0.965 175.110 176.094 -0.033 0.000 1.162 55 V CA -0.803 61.470 62.300 -0.046 0.000 1.048 55 V CB 1.851 33.590 31.823 -0.141 0.000 1.092 55 V HN 0.864 nan 8.190 nan 0.000 0.447 56 E N 0.318 120.441 120.200 -0.129 0.000 2.263 56 E HA 0.561 4.911 4.350 -0.000 0.000 0.268 56 E C -1.800 174.721 176.600 -0.131 0.000 0.884 56 E CA -0.602 55.778 56.400 -0.034 0.000 0.766 56 E CB 1.887 31.587 29.700 -0.000 0.000 1.196 56 E HN 0.601 nan 8.360 nan 0.000 0.416 57 F N 1.177 121.154 119.950 0.044 0.000 2.321 57 F HA 0.239 4.766 4.527 -0.000 0.000 0.318 57 F C 1.898 177.717 175.800 0.031 0.000 1.129 57 F CA -0.316 57.708 58.000 0.039 0.000 1.074 57 F CB 0.873 39.900 39.000 0.044 0.000 1.432 57 F HN 0.472 nan 8.300 nan 0.000 0.502 58 S N -0.623 115.228 115.700 0.253 0.000 2.383 58 S HA -0.187 4.283 4.470 -0.000 0.000 0.229 58 S C 1.694 176.363 174.600 0.116 0.000 1.030 58 S CA 1.549 59.832 58.200 0.138 0.000 1.002 58 S CB -0.373 62.897 63.200 0.117 0.000 0.829 58 S HN 0.512 nan 8.310 nan 0.000 0.467 59 S N -0.313 115.467 115.700 0.133 0.000 2.743 59 S HA 0.365 4.835 4.470 -0.000 0.000 0.230 59 S C 1.376 176.031 174.600 0.092 0.000 0.950 59 S CA 0.521 58.773 58.200 0.087 0.000 0.976 59 S CB -0.838 62.396 63.200 0.056 0.000 0.779 59 S HN 0.711 nan 8.310 nan 0.000 0.487 60 G N 0.460 109.327 108.800 0.112 0.000 2.270 60 G HA2 -0.286 3.674 3.960 -0.000 0.000 0.268 60 G HA3 -0.286 3.674 3.960 -0.000 0.000 0.268 60 G C 0.422 175.393 174.900 0.119 0.000 0.982 60 G CA 0.451 45.608 45.100 0.096 0.000 0.628 60 G HN 1.024 nan 8.290 nan 0.000 0.544 61 V N 2.160 122.162 119.914 0.146 0.000 2.458 61 V HA 0.379 4.499 4.120 -0.000 0.000 0.287 61 V C 1.118 177.373 176.094 0.267 0.000 1.009 61 V CA 0.195 62.589 62.300 0.157 0.000 1.091 61 V CB 0.086 31.964 31.823 0.092 0.000 0.960 61 V HN 0.405 nan 8.190 nan 0.000 0.476 62 K N 4.750 125.275 120.400 0.209 0.000 2.188 62 K HA 0.549 4.869 4.320 -0.000 0.000 0.246 62 K C 0.426 177.294 176.600 0.446 0.000 1.026 62 K CA 0.552 56.974 56.287 0.225 0.000 0.871 62 K CB 0.610 33.126 32.500 0.026 0.000 1.042 62 K HN 0.963 nan 8.250 nan 0.000 0.509 63 G N -0.190 108.900 108.800 0.484 0.000 2.682 63 G HA2 0.574 4.534 3.960 -0.000 0.000 0.303 63 G HA3 0.574 4.534 3.960 -0.000 0.000 0.303 63 G C -1.858 173.396 174.900 0.591 0.000 1.341 63 G CA -0.742 44.754 45.100 0.660 0.000 0.784 63 G HN 0.471 nan 8.290 nan 0.000 0.497 64 M N 0.616 120.482 119.600 0.444 0.000 2.238 64 M HA 0.609 5.089 4.480 -0.000 0.000 0.278 64 M C -0.559 175.846 176.300 0.174 0.000 1.040 64 M CA -0.717 54.783 55.300 0.334 0.000 0.969 64 M CB 1.926 34.800 32.600 0.456 0.000 1.694 64 M HN 0.917 nan 8.290 nan 0.000 0.472 65 A N 4.081 126.974 122.820 0.121 0.000 2.438 65 A HA 0.322 4.642 4.320 -0.000 0.000 0.280 65 A C 0.153 177.776 177.584 0.065 0.000 1.160 65 A CA -0.222 51.859 52.037 0.074 0.000 0.821 65 A CB 0.096 19.121 19.000 0.041 0.000 1.101 65 A HN 0.929 nan 8.150 nan 0.000 0.515 66 L N 2.731 123.984 121.223 0.051 0.000 2.189 66 L HA 0.203 4.543 4.340 -0.000 0.000 0.199 66 L C 0.755 177.641 176.870 0.026 0.000 1.074 66 L CA 1.588 56.450 54.840 0.038 0.000 0.783 66 L CB -0.220 41.848 42.059 0.015 0.000 0.955 66 L HN 0.881 nan 8.230 nan 0.000 0.460 67 N N -0.715 117.995 118.700 0.017 0.000 2.354 67 N HA 0.515 5.255 4.740 -0.000 0.000 0.287 67 N C -1.533 173.980 175.510 0.006 0.000 1.016 67 N CA -0.532 52.524 53.050 0.010 0.000 0.871 67 N CB 1.316 39.806 38.487 0.005 0.000 1.299 67 N HN -0.128 nan 8.380 nan 0.000 0.482 68 L N 1.532 122.755 121.223 0.000 0.000 2.262 68 L HA 0.370 4.710 4.340 -0.000 0.000 0.288 68 L C 0.093 176.954 176.870 -0.015 0.000 1.035 68 L CA -0.126 54.708 54.840 -0.011 0.000 0.820 68 L CB 0.624 42.675 42.059 -0.014 0.000 1.204 68 L HN 0.622 nan 8.230 nan 0.000 0.424 69 E N 4.552 124.740 120.200 -0.020 0.000 2.221 69 E HA 0.413 4.762 4.350 -0.000 0.000 0.268 69 E C -2.302 174.277 176.600 -0.035 0.000 0.933 69 E CA -2.098 54.291 56.400 -0.019 0.000 0.809 69 E CB 1.301 30.996 29.700 -0.007 0.000 1.190 69 E HN 0.298 nan 8.360 nan 0.000 0.406 70 P HA -0.031 nan 4.420 nan 0.000 0.263 70 P C 0.417 177.692 177.300 -0.041 0.000 1.345 70 P CA 0.809 63.887 63.100 -0.037 0.000 1.119 70 P CB 0.049 31.738 31.700 -0.018 0.000 1.363 71 G N 2.953 111.695 108.800 -0.096 0.000 3.033 71 G HA2 -0.122 3.838 3.960 -0.000 0.000 0.196 71 G HA3 -0.122 3.838 3.960 -0.000 0.000 0.196 71 G C -0.074 174.709 174.900 -0.195 0.000 1.078 71 G CA 0.118 45.145 45.100 -0.122 0.000 0.805 71 G HN 0.670 nan 8.290 nan 0.000 0.472 72 Q N -0.552 119.199 119.800 -0.083 0.000 2.668 72 Q HA 0.821 5.161 4.340 -0.000 0.000 0.298 72 Q C -1.458 174.519 176.000 -0.038 0.000 1.071 72 Q CA -1.074 54.704 55.803 -0.041 0.000 0.789 72 Q CB 2.853 31.623 28.738 0.054 0.000 1.497 72 Q HN 0.575 nan 8.270 nan 0.000 0.460 73 V N 0.157 120.068 119.914 -0.005 0.000 2.668 73 V HA 0.618 4.738 4.120 -0.000 0.000 0.304 73 V C -0.283 175.832 176.094 0.036 0.000 1.071 73 V CA -0.423 61.879 62.300 0.004 0.000 0.894 73 V CB 1.875 33.691 31.823 -0.011 0.000 1.008 73 V HN 0.896 nan 8.190 nan 0.000 0.425 74 G N 4.229 113.048 108.800 0.031 0.000 2.338 74 G HA2 0.609 4.569 3.960 -0.000 0.000 0.295 74 G HA3 0.609 4.569 3.960 -0.000 0.000 0.295 74 G C -0.893 174.039 174.900 0.054 0.000 1.132 74 G CA -0.139 44.985 45.100 0.040 0.000 0.922 74 G HN 0.462 nan 8.290 nan 0.000 0.427 75 I N 2.187 122.812 120.570 0.092 0.000 2.377 75 I HA 0.189 4.359 4.170 -0.000 0.000 0.293 75 I C 0.172 176.337 176.117 0.080 0.000 0.987 75 I CA -0.630 60.749 61.300 0.131 0.000 1.185 75 I CB 2.273 40.435 38.000 0.271 0.000 1.341 75 I HN 0.170 nan 8.210 nan 0.000 0.455 76 V N 7.428 127.359 119.914 0.028 0.000 2.339 76 V HA 0.238 4.358 4.120 -0.000 0.000 0.261 76 V C 0.308 176.301 176.094 -0.169 0.000 1.058 76 V CA -0.635 61.602 62.300 -0.105 0.000 0.897 76 V CB -0.014 31.697 31.823 -0.186 0.000 1.052 76 V HN 0.432 nan 8.190 nan 0.000 0.480 77 L N 4.801 125.956 121.223 -0.115 0.000 2.453 77 L HA 0.222 4.562 4.340 -0.000 0.000 0.272 77 L C 0.714 177.494 176.870 -0.150 0.000 1.182 77 L CA 0.235 55.036 54.840 -0.065 0.000 0.858 77 L CB 0.064 42.047 42.059 -0.126 0.000 1.120 77 L HN 0.498 nan 8.230 nan 0.000 0.474 78 F N 0.975 120.960 119.950 0.059 0.000 2.693 78 F HA 0.260 4.787 4.527 -0.000 0.000 0.303 78 F C 1.331 177.154 175.800 0.037 0.000 1.097 78 F CA -0.022 58.015 58.000 0.062 0.000 1.330 78 F CB 0.466 39.511 39.000 0.076 0.000 1.067 78 F HN 0.562 nan 8.300 nan 0.000 0.565 79 G N -1.139 107.740 108.800 0.131 0.000 3.105 79 G HA2 0.374 4.334 3.960 -0.000 0.000 0.277 79 G HA3 0.374 4.334 3.960 -0.000 0.000 0.277 79 G C -0.938 173.965 174.900 0.006 0.000 1.375 79 G CA -0.611 44.531 45.100 0.070 0.000 0.962 79 G HN -0.089 nan 8.290 nan 0.000 0.541 80 S N -1.223 114.475 115.700 -0.003 0.000 2.579 80 S HA 0.136 4.606 4.470 -0.000 0.000 0.275 80 S C 0.787 175.352 174.600 -0.058 0.000 1.345 80 S CA -0.095 58.091 58.200 -0.023 0.000 1.031 80 S CB 0.530 63.723 63.200 -0.013 0.000 0.892 80 S HN 0.400 nan 8.310 nan 0.000 0.529 81 D N 1.746 122.109 120.400 -0.061 0.000 2.371 81 D HA -0.010 4.630 4.640 -0.000 0.000 0.221 81 D C 1.785 178.039 176.300 -0.078 0.000 0.986 81 D CA 0.483 54.433 54.000 -0.084 0.000 0.899 81 D CB -0.073 40.687 40.800 -0.066 0.000 0.902 81 D HN 0.557 nan 8.370 nan 0.000 0.530 82 R N 0.524 120.991 120.500 -0.055 0.000 2.115 82 R HA 0.024 4.364 4.340 -0.000 0.000 0.226 82 R C 1.603 177.875 176.300 -0.047 0.000 1.100 82 R CA 0.589 56.664 56.100 -0.042 0.000 0.980 82 R CB -0.098 30.187 30.300 -0.024 0.000 0.875 82 R HN 0.190 nan 8.270 nan 0.000 0.445 83 L N 0.995 122.182 121.223 -0.060 0.000 2.465 83 L HA 0.087 4.426 4.340 -0.000 0.000 0.224 83 L C 0.015 176.832 176.870 -0.088 0.000 1.145 83 L CA 0.060 54.868 54.840 -0.053 0.000 0.834 83 L CB 0.350 42.386 42.059 -0.038 0.000 0.944 83 L HN -0.057 nan 8.230 nan 0.000 0.451 84 V N 0.700 120.522 119.914 -0.153 0.000 2.378 84 V HA 0.271 4.391 4.120 -0.000 0.000 0.288 84 V C -0.027 176.014 176.094 -0.088 0.000 1.016 84 V CA -0.768 61.411 62.300 -0.202 0.000 0.840 84 V CB 1.535 33.066 31.823 -0.487 0.000 0.994 84 V HN 0.142 nan 8.190 nan 0.000 0.431 85 K N 2.458 122.848 120.400 -0.016 0.000 2.185 85 K HA 0.500 4.820 4.320 -0.000 0.000 0.240 85 K C -0.134 176.486 176.600 0.034 0.000 0.983 85 K CA -0.840 55.451 56.287 0.006 0.000 0.873 85 K CB 1.945 34.455 32.500 0.017 0.000 1.118 85 K HN 0.706 nan 8.250 nan 0.000 0.441 86 E N 0.867 121.083 120.200 0.026 0.000 2.220 86 E HA 0.136 4.485 4.350 -0.000 0.000 0.272 86 E C -0.371 176.253 176.600 0.041 0.000 1.099 86 E CA 0.059 56.480 56.400 0.035 0.000 0.907 86 E CB -0.033 29.678 29.700 0.019 0.000 1.022 86 E HN 0.737 nan 8.360 nan 0.000 0.428 87 G N 4.141 112.978 108.800 0.061 0.000 2.956 87 G HA2 -0.185 3.775 3.960 -0.000 0.000 0.263 87 G HA3 -0.185 3.775 3.960 -0.000 0.000 0.263 87 G C -0.575 174.367 174.900 0.070 0.000 1.090 87 G CA -0.161 44.972 45.100 0.054 0.000 1.185 87 G HN 0.567 nan 8.290 nan 0.000 0.566 88 E N -0.712 119.550 120.200 0.103 0.000 2.416 88 E HA 0.573 4.923 4.350 -0.000 0.000 0.273 88 E C -0.467 176.190 176.600 0.094 0.000 0.935 88 E CA -1.324 55.144 56.400 0.114 0.000 0.784 88 E CB 2.212 32.019 29.700 0.178 0.000 1.301 88 E HN 0.311 nan 8.360 nan 0.000 0.454 89 L N 1.912 123.176 121.223 0.069 0.000 2.410 89 L HA 0.169 4.508 4.340 -0.000 0.000 0.273 89 L C -1.100 175.752 176.870 -0.030 0.000 1.144 89 L CA 0.104 54.958 54.840 0.025 0.000 0.863 89 L CB 0.733 42.805 42.059 0.021 0.000 1.140 89 L HN 0.237 nan 8.230 nan 0.000 0.463 90 V N 6.028 125.885 119.914 -0.094 0.000 2.305 90 V HA 0.361 4.481 4.120 -0.000 0.000 0.275 90 V C 0.039 176.028 176.094 -0.175 0.000 1.020 90 V CA -0.841 61.307 62.300 -0.253 0.000 0.811 90 V CB 0.755 32.374 31.823 -0.340 0.000 1.031 90 V HN 0.673 nan 8.190 nan 0.000 0.439 91 K N 4.012 124.323 120.400 -0.148 0.000 2.205 91 K HA 0.534 4.854 4.320 -0.000 0.000 0.279 91 K C 0.318 176.862 176.600 -0.094 0.000 1.027 91 K CA -0.634 55.598 56.287 -0.091 0.000 0.932 91 K CB 1.574 34.041 32.500 -0.055 0.000 1.032 91 K HN 0.543 nan 8.250 nan 0.000 0.466 92 R N 0.491 120.950 120.500 -0.068 0.000 2.774 92 R HA 0.027 4.367 4.340 -0.000 0.000 0.269 92 R C 0.667 176.943 176.300 -0.040 0.000 1.068 92 R CA 0.280 56.348 56.100 -0.054 0.000 1.180 92 R CB 0.388 30.664 30.300 -0.040 0.000 1.077 92 R HN 0.634 nan 8.270 nan 0.000 0.513 93 T N -0.652 113.884 114.554 -0.031 0.000 2.959 93 T HA 0.146 4.496 4.350 -0.000 0.000 0.254 93 T C 1.198 175.888 174.700 -0.018 0.000 1.003 93 T CA 0.376 62.462 62.100 -0.023 0.000 0.950 93 T CB 0.729 69.584 68.868 -0.022 0.000 1.090 93 T HN 0.900 nan 8.240 nan 0.000 0.503 94 G N 2.607 111.397 108.800 -0.016 0.000 2.302 94 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.263 94 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.263 94 G C 0.005 174.900 174.900 -0.008 0.000 0.995 94 G CA 0.058 45.151 45.100 -0.012 0.000 0.622 94 G HN 0.507 nan 8.290 nan 0.000 0.538 95 N N 0.659 119.354 118.700 -0.009 0.000 2.426 95 N HA 0.539 5.279 4.740 -0.000 0.000 0.275 95 N C 0.070 175.578 175.510 -0.002 0.000 1.019 95 N CA -0.532 52.514 53.050 -0.007 0.000 0.941 95 N CB 1.151 39.631 38.487 -0.012 0.000 1.123 95 N HN 0.177 nan 8.380 nan 0.000 0.486 96 I N 1.525 122.096 120.570 0.002 0.000 2.662 96 I HA -0.092 4.078 4.170 -0.000 0.000 0.285 96 I C 0.455 176.573 176.117 0.001 0.000 1.161 96 I CA -0.118 61.186 61.300 0.008 0.000 1.415 96 I CB -0.030 37.975 38.000 0.009 0.000 1.385 96 I HN 0.231 nan 8.210 nan 0.000 0.552 97 V N 7.000 126.918 119.914 0.005 0.000 3.014 97 V HA -0.194 3.926 4.120 -0.000 0.000 0.287 97 V C 0.221 176.301 176.094 -0.024 0.000 1.114 97 V CA 0.554 62.843 62.300 -0.017 0.000 1.259 97 V CB -1.529 30.293 31.823 -0.001 0.000 0.794 97 V HN 0.861 nan 8.190 nan 0.000 0.438 98 D N 4.421 124.802 120.400 -0.033 0.000 2.419 98 D HA 0.721 5.361 4.640 -0.000 0.000 0.234 98 D C -0.444 175.838 176.300 -0.031 0.000 1.014 98 D CA -0.751 53.236 54.000 -0.021 0.000 0.919 98 D CB 2.246 43.038 40.800 -0.012 0.000 1.366 98 D HN 0.474 nan 8.370 nan 0.000 0.490 99 V N -3.592 116.313 119.914 -0.015 0.000 2.760 99 V HA 0.580 4.700 4.120 -0.000 0.000 0.309 99 V C -2.963 173.122 176.094 -0.015 0.000 1.077 99 V CA -2.412 59.877 62.300 -0.019 0.000 0.910 99 V CB 1.844 33.661 31.823 -0.009 0.000 1.008 99 V HN 0.332 nan 8.190 nan 0.000 0.424 100 P HA 0.223 nan 4.420 nan 0.000 0.264 100 P C -0.058 177.206 177.300 -0.061 0.000 1.236 100 P CA 0.369 63.443 63.100 -0.043 0.000 0.811 100 P CB 0.493 32.163 31.700 -0.048 0.000 0.840 101 V N 1.720 121.592 119.914 -0.071 0.000 2.975 101 V HA 1.030 5.150 4.120 -0.000 0.000 0.318 101 V C 0.349 176.226 176.094 -0.362 0.000 1.077 101 V CA -0.161 62.063 62.300 -0.127 0.000 1.000 101 V CB 1.511 33.333 31.823 -0.002 0.000 1.066 101 V HN 0.753 nan 8.190 nan 0.000 0.452 102 G N 2.119 110.475 108.800 -0.739 0.000 2.350 102 G HA2 0.279 4.239 3.960 -0.000 0.000 0.282 102 G HA3 0.279 4.239 3.960 -0.000 0.000 0.282 102 G C -3.004 171.079 174.900 -1.361 0.000 1.314 102 G CA 0.143 44.364 45.100 -1.465 0.000 0.915 102 G HN 0.557 nan 8.290 nan 0.000 0.499 103 P HA 0.165 nan 4.420 nan 0.000 0.224 103 P C 1.669 178.787 177.300 -0.303 0.000 1.159 103 P CA 1.410 64.075 63.100 -0.725 0.000 0.824 103 P CB 0.171 31.556 31.700 -0.524 0.000 0.833 104 G N -0.240 108.396 108.800 -0.274 0.000 3.262 104 G HA2 -0.005 3.955 3.960 -0.000 0.000 0.222 104 G HA3 -0.005 3.955 3.960 -0.000 0.000 0.222 104 G C 0.850 175.689 174.900 -0.101 0.000 1.269 104 G CA 0.201 45.217 45.100 -0.140 0.000 1.032 104 G HN 0.231 nan 8.290 nan 0.000 0.502 105 L N -1.056 120.109 121.223 -0.097 0.000 2.609 105 L HA 0.313 4.653 4.340 -0.000 0.000 0.230 105 L C 0.484 177.362 176.870 0.013 0.000 1.064 105 L CA -0.481 54.333 54.840 -0.043 0.000 0.873 105 L CB -0.011 42.020 42.059 -0.048 0.000 1.139 105 L HN 0.014 nan 8.230 nan 0.000 0.490 106 L N 1.587 122.843 121.223 0.055 0.000 2.667 106 L HA 0.088 4.428 4.340 -0.000 0.000 0.278 106 L C 1.319 178.218 176.870 0.049 0.000 1.217 106 L CA 1.640 56.539 54.840 0.099 0.000 0.935 106 L CB -0.344 41.828 42.059 0.189 0.000 1.193 106 L HN 0.363 nan 8.230 nan 0.000 0.493 107 G N 1.699 110.512 108.800 0.023 0.000 2.175 107 G HA2 -0.207 3.753 3.960 -0.000 0.000 0.244 107 G HA3 -0.207 3.753 3.960 -0.000 0.000 0.244 107 G C 0.414 175.311 174.900 -0.005 0.000 0.982 107 G CA -0.438 44.660 45.100 -0.004 0.000 0.641 107 G HN 0.428 nan 8.290 nan 0.000 0.527 108 R N -0.418 120.083 120.500 0.002 0.000 2.668 108 R HA 0.726 5.066 4.340 -0.000 0.000 0.279 108 R C -0.466 175.836 176.300 0.005 0.000 0.976 108 R CA -0.745 55.355 56.100 -0.000 0.000 0.978 108 R CB 1.926 32.224 30.300 -0.005 0.000 1.133 108 R HN 0.224 nan 8.270 nan 0.000 0.484 109 V N 2.817 122.734 119.914 0.005 0.000 2.407 109 V HA 0.377 4.497 4.120 -0.000 0.000 0.291 109 V C 0.132 176.234 176.094 0.013 0.000 1.018 109 V CA -0.696 61.612 62.300 0.014 0.000 0.842 109 V CB 1.520 33.352 31.823 0.015 0.000 0.996 109 V HN 0.609 nan 8.190 nan 0.000 0.426 110 V N 1.408 121.332 119.914 0.016 0.000 3.155 110 V HA 0.853 4.973 4.120 -0.000 0.000 0.313 110 V C -0.537 175.568 176.094 0.018 0.000 1.162 110 V CA -0.818 61.489 62.300 0.011 0.000 1.048 110 V CB 2.227 34.052 31.823 0.002 0.000 1.092 110 V HN 0.746 nan 8.190 nan 0.000 0.447 111 D N 0.483 120.892 120.400 0.014 0.000 2.564 111 D HA 0.584 5.224 4.640 -0.000 0.000 0.273 111 D C 1.172 177.482 176.300 0.017 0.000 1.192 111 D CA -0.070 53.944 54.000 0.023 0.000 1.080 111 D CB 1.302 42.118 40.800 0.027 0.000 1.160 111 D HN 0.805 nan 8.370 nan 0.000 0.607 112 A N -0.457 122.381 122.820 0.029 0.000 1.940 112 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 112 A C 2.356 179.931 177.584 -0.015 0.000 1.176 112 A CA 1.382 53.435 52.037 0.027 0.000 0.631 112 A CB -1.017 18.023 19.000 0.068 0.000 0.814 112 A HN 0.551 nan 8.150 nan 0.000 0.446 113 L N -1.840 119.354 121.223 -0.049 0.000 2.313 113 L HA 0.136 4.476 4.340 -0.000 0.000 0.214 113 L C 1.656 178.486 176.870 -0.066 0.000 1.119 113 L CA 0.682 55.459 54.840 -0.106 0.000 0.809 113 L CB -0.216 41.751 42.059 -0.152 0.000 0.933 113 L HN 0.624 nan 8.230 nan 0.000 0.449 114 G N -0.133 108.646 108.800 -0.036 0.000 2.135 114 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.183 114 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.183 114 G C -0.373 174.512 174.900 -0.025 0.000 1.004 114 G CA -0.570 44.514 45.100 -0.027 0.000 0.677 114 G HN 0.277 nan 8.290 nan 0.000 0.512 115 N N 1.834 120.522 118.700 -0.020 0.000 2.438 115 N HA 0.476 5.216 4.740 -0.000 0.000 0.282 115 N C -2.541 172.965 175.510 -0.006 0.000 1.037 115 N CA -1.564 51.477 53.050 -0.014 0.000 0.942 115 N CB 1.924 40.403 38.487 -0.012 0.000 1.136 115 N HN 0.156 nan 8.380 nan 0.000 0.481 116 P HA 0.095 nan 4.420 nan 0.000 0.267 116 P C 0.569 177.870 177.300 0.003 0.000 1.209 116 P CA -0.005 63.094 63.100 -0.003 0.000 0.763 116 P CB 0.575 32.271 31.700 -0.006 0.000 0.816 117 I N 0.320 120.894 120.570 0.007 0.000 4.154 117 I HA 0.138 4.308 4.170 -0.000 0.000 0.334 117 I C 0.868 176.991 176.117 0.009 0.000 1.371 117 I CA -0.073 61.234 61.300 0.011 0.000 1.110 117 I CB -0.040 37.970 38.000 0.017 0.000 1.085 117 I HN 0.067 nan 8.210 nan 0.000 0.398 118 D N 1.817 122.221 120.400 0.006 0.000 2.349 118 D HA 0.070 4.709 4.640 -0.000 0.000 0.215 118 D C 1.630 177.931 176.300 0.002 0.000 1.016 118 D CA 0.817 54.820 54.000 0.004 0.000 0.870 118 D CB 0.083 40.884 40.800 0.001 0.000 0.917 118 D HN 0.486 nan 8.370 nan 0.000 0.524 119 G N 0.853 109.654 108.800 0.002 0.000 2.136 119 G HA2 -0.305 3.654 3.960 -0.000 0.000 0.242 119 G HA3 -0.305 3.654 3.960 -0.000 0.000 0.242 119 G C 0.320 175.219 174.900 -0.001 0.000 0.989 119 G CA 0.120 45.221 45.100 0.001 0.000 0.682 119 G HN 0.432 nan 8.290 nan 0.000 0.522 120 K N 0.995 121.393 120.400 -0.003 0.000 3.141 120 K HA 0.459 4.779 4.320 -0.000 0.000 0.248 120 K C 1.481 178.077 176.600 -0.006 0.000 1.282 120 K CA 0.223 56.507 56.287 -0.004 0.000 1.251 120 K CB 0.028 32.525 32.500 -0.005 0.000 1.533 120 K HN 1.247 nan 8.250 nan 0.000 0.409 121 G N 2.342 111.139 108.800 -0.005 0.000 2.682 121 G HA2 -0.272 3.688 3.960 -0.000 0.000 0.256 121 G HA3 -0.272 3.688 3.960 -0.000 0.000 0.256 121 G C -2.352 172.542 174.900 -0.009 0.000 1.333 121 G CA -1.073 44.023 45.100 -0.006 0.000 0.904 121 G HN 0.238 nan 8.290 nan 0.000 0.569 122 P HA 0.465 nan 4.420 nan 0.000 0.271 122 P C 0.133 177.421 177.300 -0.020 0.000 1.244 122 P CA -0.112 62.979 63.100 -0.015 0.000 0.793 122 P CB 0.226 31.917 31.700 -0.015 0.000 0.984 123 I N -2.653 117.901 120.570 -0.027 0.000 2.607 123 I HA 0.452 4.622 4.170 -0.000 0.000 0.305 123 I C 0.101 176.191 176.117 -0.045 0.000 0.995 123 I CA -0.871 60.407 61.300 -0.036 0.000 1.148 123 I CB 0.593 38.568 38.000 -0.042 0.000 1.323 123 I HN 0.006 nan 8.210 nan 0.000 0.461 124 D N 3.696 124.062 120.400 -0.058 0.000 2.619 124 D HA 0.452 5.092 4.640 -0.000 0.000 0.224 124 D C -0.223 176.018 176.300 -0.098 0.000 1.133 124 D CA -0.079 53.881 54.000 -0.067 0.000 1.017 124 D CB -0.137 40.624 40.800 -0.065 0.000 1.077 124 D HN 0.842 nan 8.370 nan 0.000 0.503 125 A N 2.028 124.797 122.820 -0.084 0.000 2.444 125 A HA 0.529 4.848 4.320 -0.000 0.000 0.273 125 A C 0.547 178.076 177.584 -0.091 0.000 1.136 125 A CA -0.319 51.658 52.037 -0.100 0.000 0.799 125 A CB 0.379 19.338 19.000 -0.068 0.000 1.081 125 A HN 0.523 nan 8.150 nan 0.000 0.509 126 A N 3.577 126.318 122.820 -0.132 0.000 3.095 126 A HA 0.622 4.942 4.320 -0.000 0.000 0.301 126 A C 0.989 178.572 177.584 -0.001 0.000 1.432 126 A CA 0.410 52.409 52.037 -0.065 0.000 1.140 126 A CB -1.123 17.831 19.000 -0.075 0.000 1.174 126 A HN 2.773 nan 8.150 nan 0.000 0.546 127 G N 1.024 109.825 108.800 0.002 0.000 2.756 127 G HA2 -0.078 3.882 3.960 -0.000 0.000 0.678 127 G HA3 -0.078 3.882 3.960 -0.000 0.000 0.678 127 G C -0.584 174.323 174.900 0.013 0.000 1.349 127 G CA -0.677 44.439 45.100 0.026 0.000 0.847 127 G HN 0.897 nan 8.290 nan 0.000 0.548 128 R N -0.801 119.713 120.500 0.024 0.000 2.808 128 R HA 0.799 5.139 4.340 -0.000 0.000 0.272 128 R C -0.629 175.692 176.300 0.036 0.000 0.995 128 R CA -0.511 55.599 56.100 0.017 0.000 0.917 128 R CB 2.248 32.549 30.300 0.001 0.000 1.217 128 R HN 0.802 nan 8.270 nan 0.000 0.471 129 S N 0.314 116.035 115.700 0.036 0.000 2.549 129 S HA 0.453 4.922 4.470 -0.000 0.000 0.280 129 S C -0.614 174.005 174.600 0.032 0.000 1.109 129 S CA -0.807 57.421 58.200 0.046 0.000 0.905 129 S CB 1.336 64.582 63.200 0.076 0.000 1.081 129 S HN 0.458 nan 8.310 nan 0.000 0.477 130 R N 1.117 121.633 120.500 0.028 0.000 2.774 130 R HA 0.332 4.672 4.340 -0.000 0.000 0.269 130 R C 1.330 177.644 176.300 0.023 0.000 1.068 130 R CA 0.476 56.586 56.100 0.017 0.000 1.180 130 R CB 0.215 30.522 30.300 0.013 0.000 1.077 130 R HN 0.753 nan 8.270 nan 0.000 0.513 131 A N 1.723 124.546 122.820 0.005 0.000 1.874 131 A HA -0.074 4.246 4.320 -0.000 0.000 0.214 131 A C 0.642 178.223 177.584 -0.007 0.000 1.189 131 A CA 0.933 52.975 52.037 0.009 0.000 0.615 131 A CB 0.075 19.061 19.000 -0.023 0.000 0.830 131 A HN 0.581 nan 8.150 nan 0.000 0.443 132 Q N 0.224 119.982 119.800 -0.069 0.000 2.421 132 Q HA 0.512 4.852 4.340 -0.000 0.000 0.242 132 Q C -1.257 174.728 176.000 -0.025 0.000 1.024 132 Q CA 0.073 55.810 55.803 -0.111 0.000 0.891 132 Q CB 1.334 29.955 28.738 -0.194 0.000 1.222 132 Q HN 0.232 nan 8.270 nan 0.000 0.483 133 V N 3.172 123.097 119.914 0.019 0.000 2.483 133 V HA 0.347 4.467 4.120 -0.000 0.000 0.295 133 V C -0.074 176.044 176.094 0.040 0.000 1.035 133 V CA -0.980 61.342 62.300 0.035 0.000 0.896 133 V CB 1.868 33.723 31.823 0.053 0.000 0.986 133 V HN 0.572 nan 8.190 nan 0.000 0.447 134 K N 3.188 123.612 120.400 0.040 0.000 2.339 134 K HA 0.547 4.867 4.320 -0.000 0.000 0.286 134 K C 0.242 176.871 176.600 0.048 0.000 1.050 134 K CA -0.236 56.081 56.287 0.049 0.000 0.956 134 K CB 0.795 33.325 32.500 0.049 0.000 0.990 134 K HN 0.886 nan 8.250 nan 0.000 0.475 135 A N 5.748 128.599 122.820 0.052 0.000 2.445 135 A HA 0.258 4.578 4.320 -0.000 0.000 0.242 135 A C -2.129 175.481 177.584 0.043 0.000 1.075 135 A CA -1.180 50.886 52.037 0.048 0.000 0.777 135 A CB -0.385 18.644 19.000 0.047 0.000 1.013 135 A HN 0.633 nan 8.150 nan 0.000 0.493 136 P HA 0.107 nan 4.420 nan 0.000 0.263 136 P C 0.839 178.159 177.300 0.033 0.000 1.175 136 P CA 0.918 64.037 63.100 0.032 0.000 0.761 136 P CB 0.346 32.064 31.700 0.030 0.000 0.794 137 G N 1.760 110.577 108.800 0.029 0.000 2.479 137 G HA2 0.043 4.003 3.960 -0.000 0.000 0.275 137 G HA3 0.043 4.003 3.960 -0.000 0.000 0.275 137 G C 0.948 175.865 174.900 0.027 0.000 1.421 137 G CA -0.352 44.765 45.100 0.029 0.000 1.059 137 G HN 0.372 nan 8.290 nan 0.000 0.535 138 I N -0.888 119.697 120.570 0.025 0.000 2.500 138 I HA 0.021 4.191 4.170 -0.000 0.000 0.252 138 I C 2.379 178.507 176.117 0.019 0.000 1.142 138 I CA 0.450 61.764 61.300 0.023 0.000 1.451 138 I CB -0.329 37.684 38.000 0.021 0.000 1.093 138 I HN 0.242 nan 8.210 nan 0.000 0.430 139 L N 1.244 122.477 121.223 0.016 0.000 2.084 139 L HA 0.072 4.412 4.340 -0.000 0.000 0.202 139 L C -0.659 176.217 176.870 0.011 0.000 1.074 139 L CA 1.790 56.638 54.840 0.012 0.000 0.757 139 L CB -1.622 40.442 42.059 0.009 0.000 0.918 139 L HN 0.124 nan 8.230 nan 0.000 0.444 140 P HA -0.036 nan 4.420 nan 0.000 0.244 140 P C -0.215 177.094 177.300 0.015 0.000 1.211 140 P CA 0.688 63.794 63.100 0.010 0.000 0.760 140 P CB -0.014 31.692 31.700 0.009 0.000 0.961 141 R N -0.122 120.389 120.500 0.019 0.000 2.691 141 R HA 0.657 4.997 4.340 -0.000 0.000 0.259 141 R C 0.308 176.623 176.300 0.025 0.000 1.048 141 R CA -0.748 55.367 56.100 0.026 0.000 1.086 141 R CB 1.541 31.858 30.300 0.029 0.000 1.166 141 R HN -0.099 nan 8.270 nan 0.000 0.526 142 R N 0.139 120.660 120.500 0.035 0.000 2.604 142 R HA 0.191 4.531 4.340 -0.000 0.000 0.270 142 R C -1.017 175.314 176.300 0.052 0.000 1.052 142 R CA -0.391 55.730 56.100 0.034 0.000 0.902 142 R CB 2.208 32.526 30.300 0.031 0.000 1.233 142 R HN 0.663 nan 8.270 nan 0.000 0.455 143 S N 1.282 117.008 115.700 0.043 0.000 2.569 143 S HA 0.119 4.589 4.470 -0.000 0.000 0.274 143 S C 0.222 174.887 174.600 0.108 0.000 1.353 143 S CA -0.374 57.861 58.200 0.057 0.000 1.023 143 S CB 0.492 63.716 63.200 0.040 0.000 0.876 143 S HN 0.382 nan 8.310 nan 0.000 0.540 144 V N 3.950 123.922 119.914 0.098 0.000 2.583 144 V HA 0.514 4.633 4.120 -0.000 0.000 0.287 144 V C 0.855 177.039 176.094 0.149 0.000 1.051 144 V CA 0.047 62.414 62.300 0.112 0.000 1.010 144 V CB 1.041 32.882 31.823 0.031 0.000 0.988 144 V HN 1.086 nan 8.190 nan 0.000 0.478 145 H N 1.629 120.689 119.070 -0.016 0.000 3.207 145 H HA 0.380 4.936 4.556 -0.000 0.000 0.237 145 H C 0.172 175.477 175.328 -0.039 0.000 0.959 145 H CA -0.097 55.940 56.048 -0.020 0.000 1.091 145 H CB 0.329 30.085 29.762 -0.011 0.000 1.447 145 H HN 0.664 nan 8.280 nan 0.000 0.477 146 E N 4.094 123.859 120.200 -0.725 0.000 2.194 146 E HA 0.301 4.651 4.350 -0.000 0.000 0.284 146 E C -2.560 173.850 176.600 -0.318 0.000 1.035 146 E CA -2.015 54.063 56.400 -0.536 0.000 0.836 146 E CB 1.570 30.868 29.700 -0.669 0.000 1.070 146 E HN 0.284 nan 8.360 nan 0.000 0.401 147 P HA 0.066 nan 4.420 nan 0.000 0.284 147 P C -0.787 176.363 177.300 -0.249 0.000 1.253 147 P CA -0.445 62.543 63.100 -0.187 0.000 0.800 147 P CB 0.847 32.470 31.700 -0.128 0.000 0.961 148 V N 4.611 124.400 119.914 -0.209 0.000 2.368 148 V HA 0.109 4.229 4.120 -0.000 0.000 0.266 148 V C 0.490 176.466 176.094 -0.197 0.000 1.045 148 V CA -0.073 62.084 62.300 -0.239 0.000 0.899 148 V CB 0.172 31.891 31.823 -0.173 0.000 1.006 148 V HN 0.473 nan 8.190 nan 0.000 0.470 149 Q N 2.773 122.410 119.800 -0.271 0.000 2.377 149 Q HA 0.165 4.505 4.340 -0.000 0.000 0.249 149 Q C 1.275 177.240 176.000 -0.059 0.000 1.005 149 Q CA -0.019 55.701 55.803 -0.138 0.000 0.912 149 Q CB 0.980 29.658 28.738 -0.100 0.000 1.223 149 Q HN 0.937 nan 8.270 nan 0.000 0.459 150 T N -1.126 113.415 114.554 -0.021 0.000 3.035 150 T HA 0.033 4.383 4.350 -0.000 0.000 0.268 150 T C 1.346 176.073 174.700 0.045 0.000 1.109 150 T CA 0.525 62.628 62.100 0.004 0.000 1.119 150 T CB -0.045 68.822 68.868 -0.002 0.000 0.900 150 T HN 0.876 nan 8.240 nan 0.000 0.503 151 G N 1.005 109.846 108.800 0.068 0.000 2.160 151 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.244 151 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.244 151 G C -0.240 174.691 174.900 0.052 0.000 1.022 151 G CA 0.259 45.409 45.100 0.084 0.000 0.741 151 G HN 0.739 nan 8.290 nan 0.000 0.508 152 L N -0.423 120.823 121.223 0.038 0.000 2.343 152 L HA 0.512 4.852 4.340 -0.000 0.000 0.278 152 L C 1.540 178.428 176.870 0.030 0.000 0.996 152 L CA -1.027 53.830 54.840 0.027 0.000 0.831 152 L CB 0.755 42.823 42.059 0.016 0.000 1.232 152 L HN 0.144 nan 8.230 nan 0.000 0.413 153 K N 2.654 123.073 120.400 0.032 0.000 2.015 153 K HA -0.239 4.080 4.320 -0.000 0.000 0.216 153 K C 1.796 178.415 176.600 0.032 0.000 1.052 153 K CA 2.002 58.309 56.287 0.033 0.000 0.937 153 K CB -0.240 32.280 32.500 0.033 0.000 0.719 153 K HN 0.795 nan 8.250 nan 0.000 0.446 154 A N 0.940 123.779 122.820 0.032 0.000 1.940 154 A HA -0.134 4.186 4.320 -0.000 0.000 0.219 154 A C 2.390 179.996 177.584 0.036 0.000 1.176 154 A CA 1.691 53.750 52.037 0.036 0.000 0.631 154 A CB -0.573 18.451 19.000 0.040 0.000 0.814 154 A HN 0.113 nan 8.150 nan 0.000 0.446 155 V N 0.100 120.032 119.914 0.030 0.000 2.300 155 V HA -0.117 4.003 4.120 -0.000 0.000 0.241 155 V C 1.699 177.806 176.094 0.022 0.000 1.034 155 V CA 1.747 64.063 62.300 0.026 0.000 1.021 155 V CB -0.809 31.024 31.823 0.018 0.000 0.662 155 V HN 0.414 nan 8.190 nan 0.000 0.458 156 D N 0.213 120.625 120.400 0.019 0.000 2.403 156 D HA 0.019 4.658 4.640 -0.000 0.000 0.227 156 D C 1.496 177.808 176.300 0.020 0.000 0.995 156 D CA 1.193 55.202 54.000 0.015 0.000 0.928 156 D CB 0.218 41.030 40.800 0.019 0.000 0.887 156 D HN 0.484 nan 8.370 nan 0.000 0.529 157 A N -0.600 122.236 122.820 0.026 0.000 2.011 157 A HA 0.187 4.507 4.320 -0.000 0.000 0.204 157 A C 2.005 179.608 177.584 0.032 0.000 1.520 157 A CA -0.131 51.923 52.037 0.028 0.000 0.819 157 A CB -0.206 18.812 19.000 0.030 0.000 1.087 157 A HN 0.129 nan 8.150 nan 0.000 0.526 158 L N 0.275 121.521 121.223 0.038 0.000 2.209 158 L HA 0.072 4.412 4.340 -0.000 0.000 0.207 158 L C 0.109 177.003 176.870 0.040 0.000 1.094 158 L CA 0.807 55.675 54.840 0.045 0.000 0.790 158 L CB 0.274 42.367 42.059 0.056 0.000 0.932 158 L HN 0.332 nan 8.230 nan 0.000 0.447 159 V N -2.651 117.284 119.914 0.034 0.000 2.558 159 V HA 0.414 4.534 4.120 -0.000 0.000 0.261 159 V C -2.815 173.289 176.094 0.016 0.000 0.958 159 V CA -1.782 60.535 62.300 0.028 0.000 0.852 159 V CB 0.504 32.348 31.823 0.035 0.000 1.067 159 V HN -0.114 nan 8.190 nan 0.000 0.468 160 P HA 0.483 nan 4.420 nan 0.000 0.280 160 P C -0.277 177.015 177.300 -0.013 0.000 1.244 160 P CA 0.040 63.138 63.100 -0.004 0.000 0.784 160 P CB 1.697 33.395 31.700 -0.004 0.000 0.913 161 I N 1.936 122.489 120.570 -0.028 0.000 2.428 161 I HA 0.518 4.688 4.170 -0.000 0.000 0.296 161 I C 1.094 177.173 176.117 -0.063 0.000 0.985 161 I CA -0.434 60.843 61.300 -0.037 0.000 1.260 161 I CB 1.705 39.681 38.000 -0.040 0.000 1.389 161 I HN 0.346 nan 8.210 nan 0.000 0.484 162 G N 4.449 113.213 108.800 -0.059 0.000 2.453 162 G HA2 0.499 4.459 3.960 -0.000 0.000 0.323 162 G HA3 0.499 4.459 3.960 -0.000 0.000 0.323 162 G C -0.595 174.250 174.900 -0.091 0.000 1.198 162 G CA -0.865 44.184 45.100 -0.085 0.000 0.959 162 G HN 0.526 nan 8.290 nan 0.000 0.482 163 R N 0.339 120.756 120.500 -0.140 0.000 2.458 163 R HA 0.359 4.699 4.340 -0.000 0.000 0.303 163 R C 1.063 177.338 176.300 -0.043 0.000 1.013 163 R CA 1.066 57.094 56.100 -0.121 0.000 1.026 163 R CB 0.546 30.714 30.300 -0.219 0.000 0.948 163 R HN 1.216 nan 8.270 nan 0.000 0.417 164 G N 1.806 110.604 108.800 -0.004 0.000 2.140 164 G HA2 -0.273 3.686 3.960 -0.000 0.000 0.211 164 G HA3 -0.273 3.686 3.960 -0.000 0.000 0.211 164 G C -0.086 174.825 174.900 0.019 0.000 1.013 164 G CA 0.022 45.138 45.100 0.027 0.000 0.705 164 G HN 0.608 nan 8.290 nan 0.000 0.508 165 Q N -0.849 118.954 119.800 0.005 0.000 2.306 165 Q HA 0.767 5.107 4.340 -0.000 0.000 0.269 165 Q C -0.230 175.777 176.000 0.012 0.000 1.053 165 Q CA -1.212 54.595 55.803 0.006 0.000 0.879 165 Q CB 1.132 29.866 28.738 -0.005 0.000 1.344 165 Q HN 0.337 nan 8.270 nan 0.000 0.464 166 R N 1.836 122.344 120.500 0.013 0.000 2.407 166 R HA 0.275 4.615 4.340 -0.000 0.000 0.298 166 R C -1.444 174.861 176.300 0.009 0.000 1.166 166 R CA -0.478 55.631 56.100 0.015 0.000 1.006 166 R CB 1.443 31.750 30.300 0.011 0.000 1.145 166 R HN 0.416 nan 8.270 nan 0.000 0.538 167 E N 2.542 122.747 120.200 0.009 0.000 2.158 167 E HA 0.254 4.604 4.350 -0.000 0.000 0.271 167 E C -1.482 175.123 176.600 0.008 0.000 0.911 167 E CA -0.918 55.487 56.400 0.008 0.000 0.767 167 E CB 1.222 30.925 29.700 0.005 0.000 1.120 167 E HN 0.294 nan 8.360 nan 0.000 0.405 168 L N 5.403 126.629 121.223 0.005 0.000 2.275 168 L HA 0.491 4.831 4.340 -0.000 0.000 0.288 168 L C -1.174 175.700 176.870 0.006 0.000 1.046 168 L CA -0.284 54.554 54.840 -0.003 0.000 0.805 168 L CB 0.808 42.856 42.059 -0.019 0.000 1.193 168 L HN 0.567 nan 8.230 nan 0.000 0.426 169 I N 7.111 127.679 120.570 -0.003 0.000 2.269 169 I HA 0.332 4.501 4.170 -0.000 0.000 0.293 169 I C 0.042 176.145 176.117 -0.024 0.000 1.106 169 I CA 0.397 61.692 61.300 -0.009 0.000 1.248 169 I CB 0.322 38.313 38.000 -0.014 0.000 1.444 169 I HN 0.539 nan 8.210 nan 0.000 0.497 170 I N 5.163 125.729 120.570 -0.008 0.000 2.412 170 I HA 0.870 5.040 4.170 -0.000 0.000 0.296 170 I C 0.307 176.361 176.117 -0.105 0.000 0.987 170 I CA 0.120 61.415 61.300 -0.009 0.000 1.180 170 I CB 1.221 39.267 38.000 0.078 0.000 1.340 170 I HN 0.621 nan 8.210 nan 0.000 0.455 171 G N 5.614 114.324 108.800 -0.150 0.000 2.427 171 G HA2 0.225 4.185 3.960 -0.000 0.000 0.306 171 G HA3 0.225 4.185 3.960 -0.000 0.000 0.306 171 G C -2.022 172.764 174.900 -0.191 0.000 1.280 171 G CA -0.598 44.315 45.100 -0.311 0.000 0.837 171 G HN 0.466 nan 8.290 nan 0.000 0.482 172 D N -0.106 120.162 120.400 -0.219 0.000 2.332 172 D HA 0.382 5.022 4.640 -0.000 0.000 0.252 172 D C 0.455 176.668 176.300 -0.145 0.000 1.050 172 D CA -0.529 53.390 54.000 -0.135 0.000 0.970 172 D CB 1.748 42.483 40.800 -0.108 0.000 1.141 172 D HN 0.513 nan 8.370 nan 0.000 0.485 173 R N 0.899 121.343 120.500 -0.094 0.000 2.488 173 R HA -0.089 4.251 4.340 -0.000 0.000 0.317 173 R C -0.223 176.000 176.300 -0.130 0.000 0.941 173 R CA 0.652 56.700 56.100 -0.087 0.000 1.076 173 R CB -0.238 30.037 30.300 -0.042 0.000 0.917 173 R HN 0.414 nan 8.270 nan 0.000 0.407 174 Q N 1.758 121.460 119.800 -0.164 0.000 2.464 174 Q HA -0.150 4.190 4.340 -0.000 0.000 0.286 174 Q C -0.034 175.645 176.000 -0.536 0.000 1.343 174 Q CA 1.155 56.821 55.803 -0.229 0.000 0.772 174 Q CB -1.518 27.155 28.738 -0.108 0.000 1.160 174 Q HN 0.970 nan 8.270 nan 0.000 0.422 175 T N -4.857 109.328 114.554 -0.614 0.000 3.044 175 T HA 0.456 4.806 4.350 -0.000 0.000 0.260 175 T C 1.072 175.239 174.700 -0.889 0.000 1.019 175 T CA 0.574 62.069 62.100 -1.008 0.000 0.921 175 T CB 1.188 69.737 68.868 -0.531 0.000 1.053 175 T HN 0.961 nan 8.240 nan 0.000 0.533 176 G N 1.814 110.324 108.800 -0.484 0.000 2.173 176 G HA2 -0.202 3.758 3.960 -0.000 0.000 0.174 176 G HA3 -0.202 3.758 3.960 -0.000 0.000 0.174 176 G C 0.595 175.427 174.900 -0.113 0.000 1.025 176 G CA 0.148 45.142 45.100 -0.176 0.000 0.706 176 G HN 0.483 nan 8.290 nan 0.000 0.499 177 K N -0.429 119.893 120.400 -0.130 0.000 1.973 177 K HA -0.056 4.264 4.320 -0.000 0.000 0.212 177 K C 2.527 179.108 176.600 -0.032 0.000 1.047 177 K CA 1.916 58.155 56.287 -0.080 0.000 0.937 177 K CB -0.394 32.059 32.500 -0.079 0.000 0.721 177 K HN 0.272 nan 8.250 nan 0.000 0.440 178 T N 1.372 115.918 114.554 -0.013 0.000 2.881 178 T HA -0.115 4.235 4.350 -0.000 0.000 0.270 178 T C 1.968 176.656 174.700 -0.020 0.000 1.068 178 T CA 1.176 63.294 62.100 0.029 0.000 1.131 178 T CB -0.245 68.655 68.868 0.054 0.000 0.871 178 T HN 0.335 nan 8.240 nan 0.000 0.479 179 A N 1.039 123.830 122.820 -0.048 0.000 1.902 179 A HA -0.046 4.274 4.320 -0.000 0.000 0.217 179 A C 2.563 180.090 177.584 -0.095 0.000 1.181 179 A CA 1.328 53.312 52.037 -0.089 0.000 0.623 179 A CB -0.899 18.065 19.000 -0.060 0.000 0.818 179 A HN 0.381 nan 8.150 nan 0.000 0.443 180 V N -0.325 119.558 119.914 -0.052 0.000 2.323 180 V HA -0.176 3.944 4.120 -0.000 0.000 0.244 180 V C 3.042 179.117 176.094 -0.031 0.000 1.041 180 V CA 1.769 64.045 62.300 -0.039 0.000 1.025 180 V CB -1.231 30.581 31.823 -0.020 0.000 0.656 180 V HN 0.604 nan 8.190 nan 0.000 0.451 181 A N -0.053 122.761 122.820 -0.010 0.000 1.877 181 A HA -0.214 4.106 4.320 -0.000 0.000 0.216 181 A C 2.187 179.769 177.584 -0.003 0.000 1.186 181 A CA 2.108 54.154 52.037 0.015 0.000 0.620 181 A CB -0.664 18.378 19.000 0.070 0.000 0.822 181 A HN 0.433 nan 8.150 nan 0.000 0.443 182 L N 0.318 121.516 121.223 -0.041 0.000 2.013 182 L HA -0.251 4.089 4.340 -0.000 0.000 0.212 182 L C 1.737 178.567 176.870 -0.067 0.000 1.073 182 L CA 2.694 57.483 54.840 -0.085 0.000 0.753 182 L CB -0.645 41.335 42.059 -0.131 0.000 0.890 182 L HN 0.388 nan 8.230 nan 0.000 0.432 183 D N -1.322 119.024 120.400 -0.090 0.000 2.182 183 D HA -0.169 4.471 4.640 -0.000 0.000 0.201 183 D C 2.088 178.386 176.300 -0.003 0.000 0.986 183 D CA 1.728 55.690 54.000 -0.063 0.000 0.847 183 D CB -0.417 40.333 40.800 -0.083 0.000 0.942 183 D HN 0.422 nan 8.370 nan 0.000 0.467 184 T N 0.779 115.332 114.554 -0.002 0.000 2.708 184 T HA -0.121 4.229 4.350 -0.000 0.000 0.266 184 T C 2.110 176.833 174.700 0.038 0.000 1.037 184 T CA 0.714 62.821 62.100 0.012 0.000 1.146 184 T CB -0.218 68.649 68.868 -0.001 0.000 0.865 184 T HN 0.075 nan 8.240 nan 0.000 0.435 185 I N 0.996 121.597 120.570 0.051 0.000 2.179 185 I HA -0.076 4.093 4.170 -0.000 0.000 0.242 185 I C 2.259 178.488 176.117 0.186 0.000 1.088 185 I CA 1.150 62.519 61.300 0.116 0.000 1.357 185 I CB -0.587 37.469 38.000 0.093 0.000 1.051 185 I HN 0.170 nan 8.210 nan 0.000 0.409 186 L N 0.028 121.321 121.223 0.117 0.000 2.131 186 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 186 L C 2.103 179.072 176.870 0.166 0.000 1.092 186 L CA 1.339 56.261 54.840 0.136 0.000 0.759 186 L CB -0.763 41.316 42.059 0.033 0.000 0.903 186 L HN 0.334 nan 8.230 nan 0.000 0.435 187 N N -0.417 118.366 118.700 0.138 0.000 2.453 187 N HA -0.163 4.577 4.740 -0.000 0.000 0.183 187 N C 1.741 177.404 175.510 0.255 0.000 1.041 187 N CA 0.598 53.749 53.050 0.169 0.000 0.900 187 N CB 0.160 38.743 38.487 0.160 0.000 0.961 187 N HN 0.211 nan 8.380 nan 0.000 0.443 188 Q N 0.087 120.003 119.800 0.194 0.000 2.482 188 Q HA -0.048 4.292 4.340 -0.000 0.000 0.209 188 Q C 1.414 177.412 176.000 -0.005 0.000 0.961 188 Q CA 0.351 56.237 55.803 0.140 0.000 0.945 188 Q CB -0.021 28.635 28.738 -0.136 0.000 1.012 188 Q HN 0.495 nan 8.270 nan 0.000 0.515 189 K N 1.050 121.499 120.400 0.081 0.000 2.218 189 K HA -0.150 4.170 4.320 -0.000 0.000 0.205 189 K C 1.838 178.420 176.600 -0.030 0.000 1.046 189 K CA 0.908 57.246 56.287 0.086 0.000 0.933 189 K CB 0.189 32.788 32.500 0.164 0.000 0.728 189 K HN 0.111 nan 8.250 nan 0.000 0.454 190 R N -0.471 119.968 120.500 -0.102 0.000 2.070 190 R HA -0.128 4.212 4.340 -0.000 0.000 0.232 190 R C 2.220 178.321 176.300 -0.332 0.000 1.138 190 R CA 1.854 57.740 56.100 -0.356 0.000 0.936 190 R CB -0.291 29.503 30.300 -0.844 0.000 0.839 190 R HN 0.401 nan 8.270 nan 0.000 0.429 191 W N 0.758 121.972 121.300 -0.142 0.000 2.476 191 W HA 0.015 4.675 4.660 -0.000 0.000 0.281 191 W C 1.310 177.716 176.519 -0.188 0.000 1.230 191 W CA 0.163 57.420 57.345 -0.148 0.000 1.287 191 W CB -0.392 28.974 29.460 -0.157 0.000 1.108 191 W HN 0.163 nan 8.180 nan 0.000 0.567 192 N N 0.677 119.330 118.700 -0.078 0.000 2.515 192 N HA -0.095 4.645 4.740 -0.000 0.000 0.185 192 N C 0.960 176.422 175.510 -0.080 0.000 1.109 192 N CA 0.729 53.645 53.050 -0.225 0.000 0.903 192 N CB -0.450 37.653 38.487 -0.640 0.000 0.969 192 N HN 0.152 nan 8.380 nan 0.000 0.450 193 N N -0.101 118.574 118.700 -0.042 0.000 2.405 193 N HA 0.051 4.791 4.740 -0.000 0.000 0.175 193 N C 1.247 176.754 175.510 -0.004 0.000 1.051 193 N CA 0.181 53.227 53.050 -0.006 0.000 0.899 193 N CB 0.029 38.509 38.487 -0.013 0.000 1.000 193 N HN 0.144 nan 8.380 nan 0.000 0.451 194 G N -0.332 108.461 108.800 -0.012 0.000 2.481 194 G HA2 0.165 4.125 3.960 -0.000 0.000 0.251 194 G HA3 0.165 4.125 3.960 -0.000 0.000 0.251 194 G C 0.570 175.489 174.900 0.031 0.000 1.492 194 G CA 0.013 45.114 45.100 0.003 0.000 1.060 194 G HN 0.184 nan 8.290 nan 0.000 0.553 195 S N -0.970 114.756 115.700 0.043 0.000 2.687 195 S HA 0.146 4.615 4.470 -0.000 0.000 0.247 195 S C -0.040 174.606 174.600 0.076 0.000 1.050 195 S CA -0.284 57.951 58.200 0.058 0.000 1.063 195 S CB 0.461 63.689 63.200 0.046 0.000 1.039 195 S HN 0.575 nan 8.310 nan 0.000 0.580 196 D N 2.491 122.941 120.400 0.082 0.000 2.339 196 D HA 0.145 4.784 4.640 -0.000 0.000 0.256 196 D C 0.804 177.180 176.300 0.127 0.000 1.214 196 D CA 0.165 54.224 54.000 0.099 0.000 0.877 196 D CB 0.742 41.604 40.800 0.104 0.000 1.111 196 D HN -0.042 nan 8.370 nan 0.000 0.478 197 E N 1.429 121.711 120.200 0.136 0.000 2.435 197 E HA -0.073 4.277 4.350 -0.000 0.000 0.195 197 E C 1.383 178.114 176.600 0.219 0.000 1.029 197 E CA 0.280 56.788 56.400 0.180 0.000 0.865 197 E CB 0.149 29.941 29.700 0.152 0.000 0.833 197 E HN 0.518 nan 8.360 nan 0.000 0.510 198 S N -0.233 115.580 115.700 0.189 0.000 2.593 198 S HA 0.137 4.607 4.470 -0.000 0.000 0.217 198 S C 1.416 176.106 174.600 0.149 0.000 0.966 198 S CA 0.063 58.411 58.200 0.245 0.000 0.914 198 S CB 0.297 63.598 63.200 0.168 0.000 0.776 198 S HN -0.059 nan 8.310 nan 0.000 0.523 199 K N 0.727 121.197 120.400 0.117 0.000 2.464 199 K HA 0.312 4.632 4.320 -0.000 0.000 0.206 199 K C -0.112 176.465 176.600 -0.039 0.000 1.186 199 K CA 0.100 56.389 56.287 0.003 0.000 0.990 199 K CB 0.406 33.004 32.500 0.164 0.000 1.003 199 K HN 0.337 nan 8.250 nan 0.000 0.562 200 K N 1.504 121.951 120.400 0.079 0.000 2.350 200 K HA 0.106 4.426 4.320 -0.000 0.000 0.279 200 K C -0.388 176.194 176.600 -0.031 0.000 1.027 200 K CA -0.196 56.081 56.287 -0.016 0.000 0.969 200 K CB 0.554 33.035 32.500 -0.033 0.000 0.954 200 K HN -0.175 nan 8.250 nan 0.000 0.474 201 L N 5.101 126.200 121.223 -0.207 0.000 2.401 201 L HA 0.280 4.620 4.340 -0.000 0.000 0.263 201 L C -1.432 175.331 176.870 -0.179 0.000 1.004 201 L CA -0.478 54.286 54.840 -0.126 0.000 0.881 201 L CB 0.215 42.144 42.059 -0.218 0.000 1.219 201 L HN 0.420 nan 8.230 nan 0.000 0.441 202 Y N 2.590 122.842 120.300 -0.080 0.000 2.426 202 Y HA 0.406 4.956 4.550 -0.000 0.000 0.344 202 Y C 0.816 176.618 175.900 -0.162 0.000 1.256 202 Y CA 0.066 58.081 58.100 -0.141 0.000 1.451 202 Y CB 0.620 38.818 38.460 -0.436 0.000 1.342 202 Y HN 0.501 nan 8.280 nan 0.000 0.600 203 C N 1.215 120.562 119.300 0.078 0.000 2.707 203 C HA 0.796 5.256 4.460 -0.000 0.000 0.313 203 C C -0.708 174.273 174.990 -0.016 0.000 1.209 203 C CA -1.102 57.935 59.018 0.032 0.000 1.635 203 C CB 1.479 29.292 27.740 0.122 0.000 2.206 203 C HN 0.529 nan 8.230 nan 0.000 0.485 204 V N 2.128 122.018 119.914 -0.041 0.000 2.524 204 V HA 0.303 4.423 4.120 -0.000 0.000 0.297 204 V C -1.345 174.726 176.094 -0.037 0.000 1.035 204 V CA -0.477 61.795 62.300 -0.045 0.000 0.867 204 V CB 1.266 33.030 31.823 -0.098 0.000 1.004 204 V HN 0.817 nan 8.190 nan 0.000 0.426 205 Y N 5.183 125.422 120.300 -0.103 0.000 2.335 205 Y HA 0.698 5.248 4.550 -0.000 0.000 0.339 205 Y C -0.300 175.548 175.900 -0.088 0.000 0.987 205 Y CA -0.562 57.477 58.100 -0.102 0.000 1.140 205 Y CB 1.675 40.097 38.460 -0.064 0.000 1.173 205 Y HN 0.429 nan 8.280 nan 0.000 0.486 206 V N 5.774 125.324 119.914 -0.606 0.000 2.394 206 V HA 0.674 4.794 4.120 -0.000 0.000 0.282 206 V C -0.151 175.645 176.094 -0.495 0.000 1.031 206 V CA -0.711 61.356 62.300 -0.388 0.000 0.881 206 V CB 1.111 32.789 31.823 -0.242 0.000 0.982 206 V HN 0.913 nan 8.190 nan 0.000 0.451 207 A N 5.105 127.817 122.820 -0.181 0.000 2.511 207 A HA 0.710 5.030 4.320 -0.000 0.000 0.340 207 A C -0.519 177.062 177.584 -0.005 0.000 1.396 207 A CA -0.399 51.604 52.037 -0.057 0.000 0.887 207 A CB 0.434 19.507 19.000 0.122 0.000 1.145 207 A HN 0.647 nan 8.150 nan 0.000 0.497 208 V N 1.918 121.823 119.914 -0.015 0.000 2.394 208 V HA 0.587 4.707 4.120 -0.000 0.000 0.282 208 V C 1.437 177.558 176.094 0.044 0.000 1.031 208 V CA 0.756 63.073 62.300 0.028 0.000 0.881 208 V CB 0.810 32.654 31.823 0.034 0.000 0.982 208 V HN 1.620 nan 8.190 nan 0.000 0.451 209 G N 3.695 112.530 108.800 0.059 0.000 2.196 209 G HA2 -0.273 3.687 3.960 -0.000 0.000 0.268 209 G HA3 -0.273 3.687 3.960 -0.000 0.000 0.268 209 G C 0.340 175.272 174.900 0.053 0.000 0.975 209 G CA 0.578 45.714 45.100 0.059 0.000 0.648 209 G HN 0.657 nan 8.290 nan 0.000 0.538 210 Q N -0.001 119.832 119.800 0.055 0.000 2.443 210 Q HA 0.401 4.741 4.340 -0.000 0.000 0.232 210 Q C 0.458 176.492 176.000 0.056 0.000 1.026 210 Q CA -0.072 55.767 55.803 0.060 0.000 0.924 210 Q CB 0.552 29.340 28.738 0.082 0.000 1.256 210 Q HN 0.381 nan 8.270 nan 0.000 0.519 211 K N 1.160 121.591 120.400 0.052 0.000 2.350 211 K HA 0.031 4.351 4.320 -0.000 0.000 0.279 211 K C 0.902 177.530 176.600 0.047 0.000 1.027 211 K CA 0.003 56.316 56.287 0.045 0.000 0.969 211 K CB 0.676 33.199 32.500 0.038 0.000 0.954 211 K HN 0.457 nan 8.250 nan 0.000 0.474 212 R N 1.400 121.925 120.500 0.042 0.000 2.105 212 R HA -0.197 4.143 4.340 -0.000 0.000 0.239 212 R C 2.139 178.460 176.300 0.035 0.000 1.135 212 R CA 2.282 58.406 56.100 0.040 0.000 0.967 212 R CB -0.070 30.250 30.300 0.034 0.000 0.861 212 R HN 0.829 nan 8.270 nan 0.000 0.442 213 S N -0.954 114.764 115.700 0.031 0.000 2.356 213 S HA -0.126 4.344 4.470 -0.000 0.000 0.223 213 S C 1.938 176.554 174.600 0.027 0.000 1.032 213 S CA 1.659 59.874 58.200 0.026 0.000 1.005 213 S CB -0.636 62.578 63.200 0.023 0.000 0.867 213 S HN 0.274 nan 8.310 nan 0.000 0.449 214 T N 2.457 117.031 114.554 0.033 0.000 2.699 214 T HA -0.064 4.286 4.350 -0.000 0.000 0.268 214 T C 1.882 176.601 174.700 0.032 0.000 1.036 214 T CA 1.649 63.770 62.100 0.034 0.000 1.147 214 T CB -0.661 68.234 68.868 0.044 0.000 0.862 214 T HN 0.326 nan 8.240 nan 0.000 0.446 215 V N 1.453 121.395 119.914 0.047 0.000 2.548 215 V HA -0.068 4.052 4.120 -0.000 0.000 0.249 215 V C 2.824 178.930 176.094 0.019 0.000 1.055 215 V CA 1.302 63.632 62.300 0.050 0.000 1.065 215 V CB -1.217 30.657 31.823 0.086 0.000 0.681 215 V HN 0.514 nan 8.190 nan 0.000 0.462 216 A N -0.123 122.709 122.820 0.019 0.000 1.877 216 A HA -0.274 4.046 4.320 -0.000 0.000 0.216 216 A C 2.207 179.790 177.584 -0.001 0.000 1.186 216 A CA 1.888 53.931 52.037 0.010 0.000 0.620 216 A CB -0.473 18.534 19.000 0.013 0.000 0.822 216 A HN 0.602 nan 8.150 nan 0.000 0.443 217 Q N -0.795 119.005 119.800 0.001 0.000 2.167 217 Q HA -0.046 4.293 4.340 -0.000 0.000 0.202 217 Q C 2.081 178.072 176.000 -0.015 0.000 0.970 217 Q CA 1.171 56.973 55.803 -0.002 0.000 0.855 217 Q CB -0.304 28.439 28.738 0.008 0.000 0.911 217 Q HN 0.702 nan 8.270 nan 0.000 0.438 218 L N 0.246 121.450 121.223 -0.031 0.000 2.083 218 L HA -0.177 4.163 4.340 -0.000 0.000 0.209 218 L C 2.072 178.888 176.870 -0.090 0.000 1.083 218 L CA 0.789 55.579 54.840 -0.083 0.000 0.752 218 L CB -0.014 41.959 42.059 -0.144 0.000 0.899 218 L HN 0.049 nan 8.230 nan 0.000 0.433 219 V N -0.490 119.389 119.914 -0.058 0.000 2.307 219 V HA -0.286 3.834 4.120 -0.000 0.000 0.245 219 V C 2.411 178.482 176.094 -0.039 0.000 1.045 219 V CA 1.832 64.102 62.300 -0.050 0.000 1.024 219 V CB -0.486 31.321 31.823 -0.027 0.000 0.651 219 V HN 0.514 nan 8.190 nan 0.000 0.449 220 Q N 0.460 120.244 119.800 -0.025 0.000 2.234 220 Q HA -0.195 4.145 4.340 -0.000 0.000 0.206 220 Q C 1.990 177.985 176.000 -0.008 0.000 0.980 220 Q CA 2.465 58.257 55.803 -0.018 0.000 0.869 220 Q CB -0.594 28.135 28.738 -0.015 0.000 0.912 220 Q HN 0.665 nan 8.270 nan 0.000 0.436 221 T N -0.070 114.483 114.554 -0.003 0.000 3.023 221 T HA 0.057 4.407 4.350 -0.000 0.000 0.266 221 T C 1.446 176.194 174.700 0.079 0.000 1.093 221 T CA 0.734 62.859 62.100 0.042 0.000 1.129 221 T CB 0.014 68.886 68.868 0.008 0.000 0.899 221 T HN 0.225 nan 8.240 nan 0.000 0.491 222 L N 0.500 121.717 121.223 -0.010 0.000 2.341 222 L HA 0.124 4.464 4.340 -0.000 0.000 0.214 222 L C 2.434 179.281 176.870 -0.038 0.000 1.115 222 L CA 0.928 55.740 54.840 -0.046 0.000 0.820 222 L CB -0.310 41.681 42.059 -0.113 0.000 0.944 222 L HN 0.283 nan 8.230 nan 0.000 0.452 223 E N -0.347 119.839 120.200 -0.024 0.000 2.190 223 E HA -0.168 4.182 4.350 -0.000 0.000 0.191 223 E C 1.865 178.452 176.600 -0.022 0.000 0.978 223 E CA 0.261 56.642 56.400 -0.032 0.000 0.839 223 E CB 0.131 29.811 29.700 -0.033 0.000 0.787 223 E HN 0.429 nan 8.360 nan 0.000 0.473 224 Q N 0.184 119.978 119.800 -0.009 0.000 2.378 224 Q HA -0.104 4.236 4.340 -0.000 0.000 0.205 224 Q C 0.673 176.572 176.000 -0.169 0.000 0.954 224 Q CA 0.931 56.687 55.803 -0.079 0.000 0.901 224 Q CB 0.203 28.886 28.738 -0.092 0.000 0.981 224 Q HN 0.337 nan 8.270 nan 0.000 0.483 225 H N -0.669 118.363 119.070 -0.064 0.000 2.594 225 H HA 0.109 4.665 4.556 -0.000 0.000 0.279 225 H C -0.642 174.675 175.328 -0.018 0.000 1.042 225 H CA 0.352 56.378 56.048 -0.038 0.000 1.177 225 H CB 0.598 30.348 29.762 -0.020 0.000 1.524 225 H HN 0.223 nan 8.280 nan 0.000 0.537 226 D N 0.149 120.574 120.400 0.041 0.000 2.689 226 D HA -0.213 4.427 4.640 -0.000 0.000 0.237 226 D C 0.719 177.020 176.300 0.001 0.000 1.148 226 D CA 0.755 54.764 54.000 0.015 0.000 0.656 226 D CB -0.992 39.828 40.800 0.034 0.000 1.050 226 D HN 0.524 nan 8.370 nan 0.000 0.426 227 A N -0.257 122.486 122.820 -0.129 0.000 2.382 227 A HA 0.219 4.539 4.320 -0.000 0.000 0.228 227 A C 1.781 178.863 177.584 -0.836 0.000 1.217 227 A CA 0.663 52.380 52.037 -0.533 0.000 0.923 227 A CB 0.038 18.896 19.000 -0.237 0.000 0.979 227 A HN 0.307 nan 8.150 nan 0.000 0.515 228 M N 1.178 120.552 119.600 -0.376 0.000 2.374 228 M HA -0.047 4.432 4.480 -0.000 0.000 0.264 228 M C 1.787 177.954 176.300 -0.221 0.000 1.067 228 M CA 1.734 56.876 55.300 -0.263 0.000 1.103 228 M CB -0.467 32.056 32.600 -0.129 0.000 1.402 228 M HN 0.441 nan 8.290 nan 0.000 0.444 229 K N -0.566 119.716 120.400 -0.198 0.000 2.504 229 K HA -0.118 4.202 4.320 -0.000 0.000 0.195 229 K C 0.127 176.776 176.600 0.081 0.000 1.036 229 K CA 1.147 57.417 56.287 -0.027 0.000 0.984 229 K CB -0.464 32.062 32.500 0.043 0.000 0.788 229 K HN 0.590 nan 8.250 nan 0.000 0.488 230 Y N -0.535 119.804 120.300 0.067 0.000 2.738 230 Y HA 0.412 4.962 4.550 -0.000 0.000 0.249 230 Y C -0.566 175.387 175.900 0.089 0.000 1.153 230 Y CA -1.189 56.965 58.100 0.089 0.000 1.165 230 Y CB -0.060 38.374 38.460 -0.044 0.000 1.235 230 Y HN 0.114 nan 8.280 nan 0.000 0.559 231 S N 0.363 116.079 115.700 0.027 0.000 2.595 231 S HA 0.829 5.299 4.470 -0.000 0.000 0.281 231 S C -1.121 173.496 174.600 0.027 0.000 1.117 231 S CA -0.777 57.443 58.200 0.034 0.000 0.873 231 S CB 2.036 65.199 63.200 -0.063 0.000 1.108 231 S HN 0.265 nan 8.310 nan 0.000 0.477 232 I N 1.641 122.229 120.570 0.030 0.000 2.439 232 I HA 0.368 4.538 4.170 -0.000 0.000 0.283 232 I C -1.498 174.642 176.117 0.039 0.000 1.023 232 I CA -0.715 60.605 61.300 0.033 0.000 1.100 232 I CB 1.492 39.517 38.000 0.043 0.000 1.238 232 I HN 0.501 nan 8.210 nan 0.000 0.445 233 I N 7.278 127.875 120.570 0.046 0.000 2.304 233 I HA 0.234 4.404 4.170 -0.000 0.000 0.291 233 I C -0.031 176.121 176.117 0.058 0.000 1.018 233 I CA -0.374 60.977 61.300 0.084 0.000 1.260 233 I CB 1.424 39.480 38.000 0.092 0.000 1.390 233 I HN 0.177 nan 8.210 nan 0.000 0.475 234 V N 6.309 126.250 119.914 0.044 0.000 2.347 234 V HA 0.744 4.864 4.120 -0.000 0.000 0.280 234 V C 0.248 176.361 176.094 0.031 0.000 1.021 234 V CA -0.634 61.681 62.300 0.026 0.000 0.847 234 V CB 1.153 32.980 31.823 0.006 0.000 0.990 234 V HN 0.801 nan 8.190 nan 0.000 0.444 235 A N 4.302 127.148 122.820 0.044 0.000 2.291 235 A HA 0.860 5.180 4.320 -0.000 0.000 0.311 235 A C 0.120 177.734 177.584 0.050 0.000 1.224 235 A CA -0.349 51.720 52.037 0.053 0.000 0.821 235 A CB 1.181 20.222 19.000 0.067 0.000 1.172 235 A HN 1.239 nan 8.150 nan 0.000 0.494 236 A N 3.287 126.137 122.820 0.051 0.000 2.664 236 A HA 0.604 4.923 4.320 -0.000 0.000 0.338 236 A C 0.637 178.260 177.584 0.064 0.000 1.280 236 A CA 0.111 52.186 52.037 0.064 0.000 0.809 236 A CB -0.493 18.553 19.000 0.076 0.000 1.114 236 A HN 1.297 nan 8.150 nan 0.000 0.479 237 T N -1.142 113.449 114.554 0.061 0.000 2.689 237 T HA 0.432 4.782 4.350 -0.000 0.000 0.308 237 T C 1.436 176.171 174.700 0.058 0.000 1.021 237 T CA 0.209 62.343 62.100 0.058 0.000 0.973 237 T CB 0.732 69.632 68.868 0.053 0.000 1.113 237 T HN 1.037 nan 8.240 nan 0.000 0.522 238 A N -0.157 122.695 122.820 0.052 0.000 2.119 238 A HA 0.107 4.427 4.320 -0.000 0.000 0.217 238 A C 2.530 180.141 177.584 0.045 0.000 1.153 238 A CA 1.399 53.465 52.037 0.049 0.000 0.692 238 A CB -1.125 17.901 19.000 0.044 0.000 0.799 238 A HN 0.829 nan 8.150 nan 0.000 0.458 239 S N -0.451 115.275 115.700 0.043 0.000 2.446 239 S HA 0.006 4.476 4.470 -0.000 0.000 0.225 239 S C 0.857 175.483 174.600 0.043 0.000 1.016 239 S CA -0.094 58.129 58.200 0.038 0.000 0.943 239 S CB -0.303 62.917 63.200 0.034 0.000 0.786 239 S HN 0.564 nan 8.310 nan 0.000 0.508 240 E N 1.480 121.713 120.200 0.054 0.000 2.447 240 E HA 0.223 4.573 4.350 -0.000 0.000 0.259 240 E C 0.332 176.971 176.600 0.065 0.000 1.196 240 E CA 0.325 56.765 56.400 0.066 0.000 0.995 240 E CB 0.225 29.974 29.700 0.082 0.000 0.974 240 E HN 0.444 nan 8.360 nan 0.000 0.465 241 A N 0.620 123.485 122.820 0.075 0.000 2.332 241 A HA 0.377 4.697 4.320 -0.000 0.000 0.258 241 A C 1.283 178.911 177.584 0.073 0.000 1.087 241 A CA 0.424 52.496 52.037 0.058 0.000 0.802 241 A CB 0.495 19.524 19.000 0.049 0.000 1.042 241 A HN 0.660 nan 8.150 nan 0.000 0.489 242 A N 2.089 124.936 122.820 0.045 0.000 1.884 242 A HA -0.114 4.206 4.320 -0.000 0.000 0.219 242 A C -0.155 177.511 177.584 0.136 0.000 1.197 242 A CA 2.365 54.443 52.037 0.067 0.000 0.637 242 A CB -1.937 17.070 19.000 0.011 0.000 0.827 242 A HN 0.633 nan 8.150 nan 0.000 0.450 243 P HA -0.159 nan 4.420 nan 0.000 0.215 243 P C 1.519 179.007 177.300 0.314 0.000 1.157 243 P CA 1.031 64.239 63.100 0.179 0.000 0.874 243 P CB -0.215 31.302 31.700 -0.304 0.000 0.790 244 L N -1.029 120.373 121.223 0.298 0.000 2.079 244 L HA -0.253 4.087 4.340 -0.000 0.000 0.210 244 L C 2.637 179.625 176.870 0.198 0.000 1.081 244 L CA 1.678 56.697 54.840 0.298 0.000 0.752 244 L CB -0.938 41.266 42.059 0.242 0.000 0.896 244 L HN 0.084 nan 8.230 nan 0.000 0.433 245 Q N -1.038 118.874 119.800 0.186 0.000 2.016 245 Q HA -0.250 4.090 4.340 -0.000 0.000 0.200 245 Q C 2.170 178.290 176.000 0.200 0.000 0.978 245 Q CA 1.850 57.750 55.803 0.161 0.000 0.833 245 Q CB -0.489 28.338 28.738 0.149 0.000 0.895 245 Q HN 0.496 nan 8.270 nan 0.000 0.427 246 Y N 1.327 121.726 120.300 0.165 0.000 2.193 246 Y HA -0.248 4.302 4.550 -0.000 0.000 0.285 246 Y C 1.798 177.875 175.900 0.296 0.000 1.166 246 Y CA 1.255 59.488 58.100 0.221 0.000 1.181 246 Y CB -0.267 38.343 38.460 0.250 0.000 0.976 246 Y HN 0.096 nan 8.280 nan 0.000 0.520 247 L N 0.436 121.555 121.223 -0.173 0.000 2.307 247 L HA 0.221 4.561 4.340 -0.000 0.000 0.211 247 L C 2.530 179.420 176.870 0.034 0.000 1.099 247 L CA 1.385 56.111 54.840 -0.190 0.000 0.816 247 L CB -1.167 40.875 42.059 -0.028 0.000 0.952 247 L HN 0.295 nan 8.230 nan 0.000 0.455 248 A N 0.947 123.798 122.820 0.051 0.000 1.881 248 A HA -0.213 4.106 4.320 -0.000 0.000 0.219 248 A C -0.115 177.492 177.584 0.038 0.000 1.215 248 A CA 2.506 54.572 52.037 0.048 0.000 0.648 248 A CB -2.181 16.849 19.000 0.050 0.000 0.832 248 A HN 0.420 nan 8.150 nan 0.000 0.455 249 P HA -0.047 nan 4.420 nan 0.000 0.223 249 P C 0.915 178.196 177.300 -0.031 0.000 1.151 249 P CA 0.791 63.904 63.100 0.022 0.000 0.787 249 P CB -0.122 31.462 31.700 -0.193 0.000 0.788 250 F N 0.059 120.004 119.950 -0.007 0.000 2.187 250 F HA -0.099 4.428 4.527 -0.000 0.000 0.295 250 F C 2.439 178.239 175.800 0.001 0.000 1.091 250 F CA 1.853 59.832 58.000 -0.034 0.000 1.308 250 F CB -1.707 37.215 39.000 -0.131 0.000 1.030 250 F HN -0.036 nan 8.300 nan 0.000 0.487 251 T N -2.318 112.338 114.554 0.169 0.000 2.951 251 T HA 0.020 4.370 4.350 -0.000 0.000 0.268 251 T C 1.949 176.698 174.700 0.082 0.000 1.073 251 T CA 0.832 62.991 62.100 0.098 0.000 1.134 251 T CB -0.579 68.320 68.868 0.051 0.000 0.884 251 T HN 0.139 nan 8.240 nan 0.000 0.479 252 A N 0.648 123.511 122.820 0.072 0.000 2.238 252 A HA 0.708 5.028 4.320 -0.000 0.000 0.208 252 A C 2.398 180.009 177.584 0.045 0.000 1.177 252 A CA 0.804 52.863 52.037 0.036 0.000 0.804 252 A CB -0.717 18.272 19.000 -0.018 0.000 0.823 252 A HN 0.693 nan 8.150 nan 0.000 0.482 253 A N -0.947 121.938 122.820 0.109 0.000 2.115 253 A HA 0.200 4.520 4.320 -0.000 0.000 0.211 253 A C 2.154 179.818 177.584 0.134 0.000 1.169 253 A CA 1.188 53.306 52.037 0.134 0.000 0.787 253 A CB -0.241 18.877 19.000 0.196 0.000 0.858 253 A HN 0.367 nan 8.150 nan 0.000 0.474 254 S N 0.304 116.082 115.700 0.131 0.000 2.414 254 S HA -0.001 4.469 4.470 -0.000 0.000 0.227 254 S C 1.698 176.395 174.600 0.162 0.000 1.022 254 S CA 1.099 59.377 58.200 0.130 0.000 0.958 254 S CB -0.378 62.885 63.200 0.104 0.000 0.797 254 S HN 0.566 nan 8.310 nan 0.000 0.493 255 I N 1.700 122.362 120.570 0.152 0.000 2.315 255 I HA -0.072 4.098 4.170 -0.000 0.000 0.248 255 I C 2.660 178.989 176.117 0.354 0.000 1.117 255 I CA 1.153 62.574 61.300 0.201 0.000 1.404 255 I CB -0.835 37.246 38.000 0.135 0.000 1.071 255 I HN 0.359 nan 8.210 nan 0.000 0.419 256 G N 0.275 109.222 108.800 0.245 0.000 2.471 256 G HA2 -0.166 3.794 3.960 -0.000 0.000 0.219 256 G HA3 -0.166 3.794 3.960 -0.000 0.000 0.219 256 G C 1.505 176.589 174.900 0.307 0.000 1.125 256 G CA 0.263 45.511 45.100 0.246 0.000 0.775 256 G HN 0.404 nan 8.290 nan 0.000 0.548 257 E N -0.845 119.503 120.200 0.247 0.000 2.208 257 E HA -0.095 4.255 4.350 -0.000 0.000 0.193 257 E C 1.896 178.608 176.600 0.187 0.000 0.988 257 E CA 0.207 56.717 56.400 0.182 0.000 0.828 257 E CB -0.150 29.629 29.700 0.131 0.000 0.763 257 E HN 0.669 nan 8.360 nan 0.000 0.478 258 W N 0.236 121.575 121.300 0.066 0.000 2.363 258 W HA -0.191 4.469 4.660 -0.000 0.000 0.296 258 W C 1.303 177.709 176.519 -0.188 0.000 1.212 258 W CA 1.343 58.633 57.345 -0.092 0.000 1.260 258 W CB -0.099 29.244 29.460 -0.193 0.000 1.131 258 W HN -0.009 nan 8.180 nan 0.000 0.530 259 F N -0.172 119.890 119.950 0.187 0.000 2.293 259 F HA 0.046 4.572 4.527 -0.000 0.000 0.297 259 F C 2.639 178.366 175.800 -0.121 0.000 1.089 259 F CA 1.626 59.629 58.000 0.005 0.000 1.377 259 F CB -1.084 37.954 39.000 0.063 0.000 1.051 259 F HN -0.221 nan 8.300 nan 0.000 0.511 260 R N 0.662 121.241 120.500 0.132 0.000 2.075 260 R HA -0.131 4.209 4.340 -0.000 0.000 0.232 260 R C 1.252 177.512 176.300 -0.067 0.000 1.126 260 R CA 1.874 57.995 56.100 0.035 0.000 0.963 260 R CB -0.325 30.018 30.300 0.071 0.000 0.858 260 R HN 0.142 nan 8.270 nan 0.000 0.435 261 D N 0.134 120.462 120.400 -0.120 0.000 2.347 261 D HA -0.044 4.596 4.640 -0.000 0.000 0.215 261 D C 0.310 176.448 176.300 -0.270 0.000 0.976 261 D CA 0.607 54.507 54.000 -0.168 0.000 0.884 261 D CB -0.012 40.692 40.800 -0.159 0.000 0.915 261 D HN 0.183 nan 8.370 nan 0.000 0.526 262 N N -0.258 118.204 118.700 -0.396 0.000 2.321 262 N HA 0.182 4.922 4.740 -0.000 0.000 0.242 262 N C 1.228 176.544 175.510 -0.323 0.000 1.141 262 N CA 0.325 53.091 53.050 -0.474 0.000 0.864 262 N CB 1.178 39.121 38.487 -0.907 0.000 1.100 262 N HN 0.158 nan 8.380 nan 0.000 0.510 263 G N 0.392 109.051 108.800 -0.235 0.000 2.267 263 G HA2 -0.333 3.627 3.960 -0.000 0.000 0.257 263 G HA3 -0.333 3.627 3.960 -0.000 0.000 0.257 263 G C 0.497 175.224 174.900 -0.288 0.000 0.998 263 G CA 0.379 45.358 45.100 -0.202 0.000 0.620 263 G HN 0.365 nan 8.290 nan 0.000 0.529 264 K N 0.038 120.290 120.400 -0.247 0.000 2.440 264 K HA 0.568 4.888 4.320 -0.000 0.000 0.252 264 K C 0.030 176.433 176.600 -0.328 0.000 1.044 264 K CA -0.443 55.731 56.287 -0.190 0.000 0.962 264 K CB 0.300 32.848 32.500 0.081 0.000 1.269 264 K HN 0.407 nan 8.250 nan 0.000 0.505 265 H N -1.158 118.064 119.070 0.253 0.000 2.637 265 H HA 0.561 5.117 4.556 -0.000 0.000 0.363 265 H C -1.067 174.364 175.328 0.172 0.000 1.131 265 H CA -0.815 55.330 56.048 0.161 0.000 1.183 265 H CB 2.062 31.865 29.762 0.068 0.000 1.637 265 H HN 0.653 nan 8.280 nan 0.000 0.531 266 A N 2.389 125.318 122.820 0.181 0.000 2.449 266 A HA 0.524 4.844 4.320 -0.000 0.000 0.302 266 A C -1.544 176.040 177.584 -0.000 0.000 1.048 266 A CA -0.620 51.431 52.037 0.024 0.000 0.708 266 A CB 1.857 20.842 19.000 -0.026 0.000 1.274 266 A HN 0.426 nan 8.150 nan 0.000 0.410 267 L N 3.037 124.233 121.223 -0.045 0.000 2.343 267 L HA 0.652 4.992 4.340 -0.000 0.000 0.278 267 L C -1.206 175.612 176.870 -0.086 0.000 0.996 267 L CA -0.407 54.402 54.840 -0.052 0.000 0.831 267 L CB 1.228 43.260 42.059 -0.045 0.000 1.232 267 L HN 0.671 nan 8.230 nan 0.000 0.413 268 I N 6.254 126.748 120.570 -0.127 0.000 2.406 268 I HA 0.435 4.605 4.170 -0.000 0.000 0.290 268 I C -1.159 174.748 176.117 -0.350 0.000 0.999 268 I CA -0.566 60.576 61.300 -0.264 0.000 1.124 268 I CB 2.063 39.858 38.000 -0.341 0.000 1.289 268 I HN 0.311 nan 8.210 nan 0.000 0.441 269 V N 9.031 128.729 119.914 -0.360 0.000 2.326 269 V HA 0.296 4.416 4.120 -0.000 0.000 0.281 269 V C -0.838 174.968 176.094 -0.479 0.000 1.015 269 V CA -0.623 61.504 62.300 -0.287 0.000 0.823 269 V CB 1.046 32.851 31.823 -0.030 0.000 1.009 269 V HN 0.449 nan 8.190 nan 0.000 0.436 270 Y N 2.874 123.059 120.300 -0.192 0.000 2.365 270 Y HA 0.559 5.109 4.550 -0.000 0.000 0.340 270 Y C 0.448 176.204 175.900 -0.241 0.000 1.016 270 Y CA -0.346 57.614 58.100 -0.234 0.000 1.196 270 Y CB 0.820 39.169 38.460 -0.184 0.000 1.167 270 Y HN 0.543 nan 8.280 nan 0.000 0.509 271 D N 2.858 123.148 120.400 -0.182 0.000 2.613 271 D HA 0.079 4.719 4.640 -0.000 0.000 0.230 271 D C -2.002 174.237 176.300 -0.102 0.000 1.365 271 D CA -0.443 53.468 54.000 -0.147 0.000 0.976 271 D CB 1.263 41.951 40.800 -0.186 0.000 1.415 271 D HN 0.580 nan 8.370 nan 0.000 0.589 272 D N 4.112 124.495 120.400 -0.027 0.000 2.375 272 D HA 0.225 4.865 4.640 -0.000 0.000 0.247 272 D C 1.418 177.712 176.300 -0.009 0.000 1.061 272 D CA -0.534 53.456 54.000 -0.017 0.000 0.834 272 D CB 2.058 42.856 40.800 -0.002 0.000 1.247 272 D HN 0.346 nan 8.370 nan 0.000 0.489 273 L N 2.148 123.347 121.223 -0.040 0.000 2.079 273 L HA -0.186 4.154 4.340 -0.000 0.000 0.210 273 L C 2.293 179.146 176.870 -0.029 0.000 1.081 273 L CA 0.861 55.659 54.840 -0.069 0.000 0.752 273 L CB -0.250 41.677 42.059 -0.221 0.000 0.896 273 L HN 0.377 nan 8.230 nan 0.000 0.433 274 S N -0.128 115.542 115.700 -0.050 0.000 2.374 274 S HA -0.224 4.246 4.470 -0.000 0.000 0.227 274 S C 1.823 176.469 174.600 0.077 0.000 1.037 274 S CA 1.415 59.609 58.200 -0.010 0.000 1.024 274 S CB -0.174 63.019 63.200 -0.012 0.000 0.861 274 S HN 0.409 nan 8.310 nan 0.000 0.456 275 K N 0.912 121.353 120.400 0.069 0.000 2.365 275 K HA -0.032 4.288 4.320 -0.000 0.000 0.199 275 K C 2.330 179.007 176.600 0.128 0.000 1.045 275 K CA 0.545 56.889 56.287 0.094 0.000 0.962 275 K CB -0.075 32.465 32.500 0.068 0.000 0.759 275 K HN 0.422 nan 8.250 nan 0.000 0.469 276 Q N 0.834 120.716 119.800 0.136 0.000 2.083 276 Q HA -0.112 4.228 4.340 -0.000 0.000 0.198 276 Q C 2.068 178.216 176.000 0.246 0.000 0.969 276 Q CA 1.222 57.132 55.803 0.179 0.000 0.838 276 Q CB -0.040 28.785 28.738 0.145 0.000 0.900 276 Q HN 0.301 nan 8.270 nan 0.000 0.436 277 A N 0.289 123.272 122.820 0.272 0.000 1.883 277 A HA -0.162 4.158 4.320 -0.000 0.000 0.217 277 A C 2.202 180.050 177.584 0.440 0.000 1.186 277 A CA 1.730 53.990 52.037 0.371 0.000 0.624 277 A CB -0.928 18.276 19.000 0.340 0.000 0.822 277 A HN 0.310 nan 8.150 nan 0.000 0.444 278 V N -0.146 119.980 119.914 0.352 0.000 2.469 278 V HA -0.276 3.844 4.120 -0.000 0.000 0.251 278 V C 2.927 179.098 176.094 0.129 0.000 1.064 278 V CA 1.986 64.406 62.300 0.199 0.000 1.066 278 V CB -1.370 30.542 31.823 0.148 0.000 0.667 278 V HN 0.641 nan 8.190 nan 0.000 0.461 279 A N -0.907 122.014 122.820 0.167 0.000 1.854 279 A HA -0.197 4.123 4.320 -0.000 0.000 0.214 279 A C 2.158 179.814 177.584 0.119 0.000 1.192 279 A CA 1.607 53.727 52.037 0.137 0.000 0.611 279 A CB -0.773 18.335 19.000 0.179 0.000 0.832 279 A HN 0.560 nan 8.150 nan 0.000 0.442 280 Y N 0.461 120.791 120.300 0.050 0.000 2.256 280 Y HA -0.209 4.341 4.550 -0.000 0.000 0.288 280 Y C 2.495 178.364 175.900 -0.051 0.000 1.155 280 Y CA 2.056 60.116 58.100 -0.066 0.000 1.203 280 Y CB -0.222 38.215 38.460 -0.039 0.000 0.980 280 Y HN 0.316 nan 8.280 nan 0.000 0.530 281 R N 0.121 120.686 120.500 0.107 0.000 2.096 281 R HA -0.227 4.113 4.340 -0.000 0.000 0.235 281 R C 2.430 178.660 176.300 -0.117 0.000 1.127 281 R CA 1.770 57.855 56.100 -0.025 0.000 0.968 281 R CB -0.290 29.928 30.300 -0.137 0.000 0.861 281 R HN 0.531 nan 8.270 nan 0.000 0.440 282 Q N 0.393 120.136 119.800 -0.094 0.000 2.050 282 Q HA -0.170 4.170 4.340 -0.000 0.000 0.202 282 Q C 2.098 178.007 176.000 -0.151 0.000 0.980 282 Q CA 1.528 57.270 55.803 -0.100 0.000 0.840 282 Q CB -0.054 28.649 28.738 -0.058 0.000 0.898 282 Q HN 0.406 nan 8.270 nan 0.000 0.424 283 L N 0.483 121.569 121.223 -0.227 0.000 1.955 283 L HA -0.254 4.085 4.340 -0.000 0.000 0.213 283 L C 2.842 179.542 176.870 -0.284 0.000 1.072 283 L CA 1.732 56.396 54.840 -0.293 0.000 0.755 283 L CB -0.821 40.957 42.059 -0.467 0.000 0.888 283 L HN 0.402 nan 8.230 nan 0.000 0.432 284 S N 0.287 115.766 115.700 -0.367 0.000 2.359 284 S HA -0.255 4.214 4.470 -0.000 0.000 0.223 284 S C 1.951 176.461 174.600 -0.150 0.000 1.039 284 S CA 1.492 59.535 58.200 -0.261 0.000 1.042 284 S CB -1.104 61.954 63.200 -0.236 0.000 0.915 284 S HN 0.359 nan 8.310 nan 0.000 0.439 285 L N 0.664 121.809 121.223 -0.130 0.000 2.187 285 L HA -0.005 4.335 4.340 -0.000 0.000 0.213 285 L C 2.484 179.305 176.870 -0.082 0.000 1.100 285 L CA 0.983 55.768 54.840 -0.091 0.000 0.765 285 L CB -0.543 41.463 42.059 -0.087 0.000 0.904 285 L HN 0.334 nan 8.230 nan 0.000 0.437 286 L N -1.105 120.060 121.223 -0.098 0.000 2.270 286 L HA -0.081 4.259 4.340 -0.000 0.000 0.210 286 L C 1.871 178.694 176.870 -0.078 0.000 1.104 286 L CA 0.472 55.263 54.840 -0.082 0.000 0.804 286 L CB -0.035 41.971 42.059 -0.088 0.000 0.937 286 L HN 0.239 nan 8.230 nan 0.000 0.450 287 L N -0.344 120.822 121.223 -0.096 0.000 2.627 287 L HA 0.119 4.459 4.340 -0.000 0.000 0.232 287 L C 0.755 177.589 176.870 -0.060 0.000 1.150 287 L CA -0.027 54.764 54.840 -0.081 0.000 0.917 287 L CB -0.039 41.956 42.059 -0.106 0.000 1.104 287 L HN 0.243 nan 8.230 nan 0.000 0.445 288 R N -0.883 119.584 120.500 -0.056 0.000 3.922 288 R HA -0.133 4.207 4.340 -0.000 0.000 0.447 288 R C -0.109 176.171 176.300 -0.034 0.000 1.035 288 R CA 0.474 56.551 56.100 -0.040 0.000 1.289 288 R CB -1.511 28.771 30.300 -0.029 0.000 1.906 288 R HN 0.307 nan 8.270 nan 0.000 0.540 289 R N 1.721 122.195 120.500 -0.043 0.000 2.480 289 R HA 0.109 4.449 4.340 -0.000 0.000 0.303 289 R C -2.020 174.272 176.300 -0.014 0.000 0.985 289 R CA -1.276 54.809 56.100 -0.026 0.000 1.051 289 R CB -0.276 30.003 30.300 -0.035 0.000 0.935 289 R HN -0.016 nan 8.270 nan 0.000 0.410 290 P HA 0.012 nan 4.420 nan 0.000 0.264 290 P C -2.248 175.058 177.300 0.010 0.000 1.179 290 P CA -0.569 62.531 63.100 0.000 0.000 0.763 290 P CB -0.047 31.657 31.700 0.005 0.000 0.806 291 P HA 0.231 nan 4.420 nan 0.000 0.281 291 P C 0.420 177.729 177.300 0.016 0.000 1.252 291 P CA 0.029 63.133 63.100 0.007 0.000 0.778 291 P CB 1.016 32.709 31.700 -0.013 0.000 0.895 292 G N 2.801 111.626 108.800 0.041 0.000 2.945 292 G HA2 0.280 4.240 3.960 -0.000 0.000 0.156 292 G HA3 0.280 4.240 3.960 -0.000 0.000 0.156 292 G C -0.469 174.410 174.900 -0.035 0.000 1.375 292 G CA -0.833 44.270 45.100 0.006 0.000 1.039 292 G HN 0.359 nan 8.290 nan 0.000 0.586 293 R N 0.786 121.181 120.500 -0.174 0.000 2.484 293 R HA 0.172 4.512 4.340 -0.000 0.000 0.293 293 R C 0.006 176.342 176.300 0.059 0.000 1.023 293 R CA 0.551 56.512 56.100 -0.232 0.000 1.037 293 R CB 0.181 30.048 30.300 -0.721 0.000 0.951 293 R HN 0.739 nan 8.270 nan 0.000 0.418 294 E N 1.608 121.871 120.200 0.105 0.000 3.065 294 E HA -0.365 3.985 4.350 -0.000 0.000 0.277 294 E C 0.422 177.068 176.600 0.075 0.000 1.008 294 E CA 0.509 57.029 56.400 0.199 0.000 0.864 294 E CB -0.997 28.983 29.700 0.468 0.000 1.439 294 E HN 0.918 nan 8.360 nan 0.000 0.445 295 A N -2.127 120.716 122.820 0.040 0.000 3.526 295 A HA -0.286 4.033 4.320 -0.000 0.000 0.254 295 A C 0.131 177.693 177.584 -0.035 0.000 1.109 295 A CA 1.350 53.359 52.037 -0.047 0.000 1.395 295 A CB -1.975 16.949 19.000 -0.127 0.000 1.057 295 A HN 0.374 nan 8.150 nan 0.000 0.901 296 Y N 1.806 122.198 120.300 0.153 0.000 2.526 296 Y HA 0.390 4.939 4.550 -0.000 0.000 0.330 296 Y C -1.171 174.860 175.900 0.217 0.000 1.156 296 Y CA -0.926 57.316 58.100 0.237 0.000 1.419 296 Y CB 0.124 38.831 38.460 0.412 0.000 1.250 296 Y HN 0.285 nan 8.280 nan 0.000 0.540 297 P HA -0.061 nan 4.420 nan 0.000 0.270 297 P C 0.743 178.226 177.300 0.305 0.000 1.227 297 P CA 0.336 63.590 63.100 0.256 0.000 0.788 297 P CB 0.782 32.634 31.700 0.253 0.000 0.926 298 G N 1.408 110.341 108.800 0.221 0.000 2.422 298 G HA2 -0.231 3.729 3.960 -0.000 0.000 0.218 298 G HA3 -0.231 3.729 3.960 -0.000 0.000 0.218 298 G C 0.708 175.763 174.900 0.258 0.000 1.146 298 G CA 0.743 45.972 45.100 0.216 0.000 0.769 298 G HN 0.604 nan 8.290 nan 0.000 0.547 299 D N 0.491 121.044 120.400 0.256 0.000 2.324 299 D HA 0.033 4.673 4.640 -0.000 0.000 0.235 299 D C 1.906 178.328 176.300 0.204 0.000 1.095 299 D CA -0.053 54.105 54.000 0.264 0.000 0.871 299 D CB -0.066 40.894 40.800 0.266 0.000 0.906 299 D HN 0.158 nan 8.370 nan 0.000 0.522 300 V N -0.311 119.735 119.914 0.220 0.000 2.490 300 V HA -0.166 3.953 4.120 -0.000 0.000 0.250 300 V C 1.758 177.856 176.094 0.007 0.000 1.061 300 V CA 1.282 63.621 62.300 0.065 0.000 1.064 300 V CB -0.674 31.273 31.823 0.207 0.000 0.670 300 V HN 0.223 nan 8.190 nan 0.000 0.461 301 F N 0.032 119.993 119.950 0.018 0.000 2.146 301 F HA -0.186 4.341 4.527 -0.000 0.000 0.298 301 F C 2.121 177.961 175.800 0.067 0.000 1.096 301 F CA 2.237 60.256 58.000 0.031 0.000 1.275 301 F CB -0.592 38.450 39.000 0.069 0.000 1.008 301 F HN 0.347 nan 8.300 nan 0.000 0.480 302 Y N 0.501 120.816 120.300 0.025 0.000 2.403 302 Y HA -0.134 4.416 4.550 -0.000 0.000 0.291 302 Y C 1.946 177.741 175.900 -0.175 0.000 1.143 302 Y CA 1.145 59.203 58.100 -0.069 0.000 1.257 302 Y CB -0.634 37.859 38.460 0.056 0.000 0.984 302 Y HN 0.222 nan 8.280 nan 0.000 0.550 303 L N -0.582 120.435 121.223 -0.344 0.000 2.275 303 L HA -0.150 4.189 4.340 -0.000 0.000 0.215 303 L C 1.439 177.975 176.870 -0.556 0.000 1.119 303 L CA 2.054 56.590 54.840 -0.506 0.000 0.790 303 L CB -0.510 41.073 42.059 -0.794 0.000 0.919 303 L HN 0.301 nan 8.230 nan 0.000 0.443 304 H N -2.861 115.999 119.070 -0.350 0.000 2.855 304 H HA 0.150 4.706 4.556 -0.000 0.000 0.259 304 H C 2.259 177.330 175.328 -0.427 0.000 0.972 304 H CA 0.622 56.422 56.048 -0.414 0.000 1.213 304 H CB 0.213 29.731 29.762 -0.407 0.000 1.451 304 H HN 0.388 nan 8.280 nan 0.000 0.484 305 S N 1.595 117.048 115.700 -0.411 0.000 2.368 305 S HA -0.200 4.270 4.470 -0.000 0.000 0.224 305 S C 1.998 176.487 174.600 -0.186 0.000 1.029 305 S CA 1.122 59.103 58.200 -0.365 0.000 0.988 305 S CB -0.177 62.763 63.200 -0.434 0.000 0.838 305 S HN 0.562 nan 8.310 nan 0.000 0.462 306 R N 0.225 120.582 120.500 -0.240 0.000 2.299 306 R HA 0.310 4.650 4.340 -0.000 0.000 0.197 306 R C 1.985 178.264 176.300 -0.035 0.000 0.971 306 R CA 0.530 56.538 56.100 -0.153 0.000 1.030 306 R CB -0.363 29.709 30.300 -0.379 0.000 0.932 306 R HN 0.443 nan 8.270 nan 0.000 0.477 307 L N 0.525 121.690 121.223 -0.096 0.000 2.189 307 L HA 0.191 4.531 4.340 -0.000 0.000 0.199 307 L C 1.898 178.659 176.870 -0.183 0.000 1.074 307 L CA 1.187 55.918 54.840 -0.183 0.000 0.783 307 L CB -0.170 41.525 42.059 -0.607 0.000 0.955 307 L HN 0.155 nan 8.230 nan 0.000 0.460 308 L N -0.484 120.614 121.223 -0.209 0.000 2.141 308 L HA -0.106 4.234 4.340 -0.000 0.000 0.209 308 L C 2.395 179.241 176.870 -0.040 0.000 1.094 308 L CA 0.987 55.748 54.840 -0.131 0.000 0.763 308 L CB -0.616 41.353 42.059 -0.150 0.000 0.908 308 L HN 0.362 nan 8.230 nan 0.000 0.437 309 E N 0.389 120.566 120.200 -0.039 0.000 2.204 309 E HA -0.163 4.187 4.350 -0.000 0.000 0.194 309 E C 2.113 178.728 176.600 0.026 0.000 0.989 309 E CA 0.546 56.947 56.400 0.001 0.000 0.824 309 E CB 0.031 29.737 29.700 0.009 0.000 0.756 309 E HN 0.456 nan 8.360 nan 0.000 0.477 310 R N 0.557 121.076 120.500 0.033 0.000 2.293 310 R HA -0.016 4.324 4.340 -0.000 0.000 0.219 310 R C 0.655 176.994 176.300 0.065 0.000 1.091 310 R CA 0.403 56.537 56.100 0.057 0.000 1.004 310 R CB -0.033 30.313 30.300 0.078 0.000 0.865 310 R HN -0.062 nan 8.270 nan 0.000 0.469 311 A N 1.094 123.951 122.820 0.062 0.000 2.276 311 A HA 0.688 5.008 4.320 -0.000 0.000 0.300 311 A C -0.460 177.153 177.584 0.049 0.000 1.235 311 A CA -0.207 51.868 52.037 0.064 0.000 0.867 311 A CB 0.824 19.868 19.000 0.074 0.000 1.137 311 A HN 0.234 nan 8.150 nan 0.000 0.527 312 A N 2.360 125.211 122.820 0.051 0.000 2.590 312 A HA 0.594 4.914 4.320 -0.000 0.000 0.296 312 A C -0.731 176.886 177.584 0.054 0.000 1.050 312 A CA -0.797 51.268 52.037 0.047 0.000 0.697 312 A CB 0.685 19.710 19.000 0.042 0.000 1.277 312 A HN 0.949 nan 8.150 nan 0.000 0.411 313 K N 2.074 122.508 120.400 0.057 0.000 2.363 313 K HA 0.502 4.822 4.320 -0.000 0.000 0.289 313 K C -0.603 176.037 176.600 0.068 0.000 1.063 313 K CA 0.100 56.432 56.287 0.076 0.000 0.967 313 K CB -0.319 32.234 32.500 0.088 0.000 0.987 313 K HN 0.567 nan 8.250 nan 0.000 0.473 314 L N 3.352 124.613 121.223 0.062 0.000 2.464 314 L HA 0.145 4.485 4.340 -0.000 0.000 0.264 314 L C 0.616 177.512 176.870 0.043 0.000 1.199 314 L CA -0.223 54.641 54.840 0.040 0.000 0.818 314 L CB 0.917 42.988 42.059 0.019 0.000 1.102 314 L HN 0.913 nan 8.230 nan 0.000 0.473 315 S N 0.129 115.844 115.700 0.024 0.000 2.624 315 S HA 0.113 4.583 4.470 -0.000 0.000 0.263 315 S C 0.713 175.319 174.600 0.010 0.000 1.287 315 S CA -0.673 57.536 58.200 0.016 0.000 0.990 315 S CB 0.983 64.187 63.200 0.007 0.000 0.950 315 S HN 0.654 nan 8.310 nan 0.000 0.561 316 E N 0.305 120.505 120.200 0.000 0.000 2.204 316 E HA -0.137 4.213 4.350 -0.000 0.000 0.195 316 E C 1.757 178.351 176.600 -0.009 0.000 0.990 316 E CA 0.834 57.232 56.400 -0.004 0.000 0.821 316 E CB -0.089 29.601 29.700 -0.016 0.000 0.750 316 E HN 0.687 nan 8.360 nan 0.000 0.477 317 K N 0.530 120.925 120.400 -0.010 0.000 2.296 317 K HA -0.095 4.225 4.320 -0.000 0.000 0.200 317 K C 1.586 178.176 176.600 -0.016 0.000 1.048 317 K CA 0.657 56.937 56.287 -0.012 0.000 0.966 317 K CB 0.387 32.881 32.500 -0.010 0.000 0.754 317 K HN -0.012 nan 8.250 nan 0.000 0.466 318 E N -0.938 119.253 120.200 -0.016 0.000 2.057 318 E HA 0.025 4.375 4.350 -0.000 0.000 0.190 318 E C 1.300 177.877 176.600 -0.038 0.000 0.969 318 E CA 1.367 57.752 56.400 -0.024 0.000 0.812 318 E CB 0.564 30.253 29.700 -0.018 0.000 0.777 318 E HN 0.435 nan 8.360 nan 0.000 0.455 319 G N -0.662 108.117 108.800 -0.035 0.000 4.589 319 G HA2 -0.072 3.888 3.960 -0.000 0.000 0.218 319 G HA3 -0.072 3.888 3.960 -0.000 0.000 0.218 319 G C 0.165 175.040 174.900 -0.042 0.000 0.678 319 G CA 0.134 45.202 45.100 -0.053 0.000 0.859 319 G HN 0.023 nan 8.290 nan 0.000 0.650 320 S N -0.538 115.158 115.700 -0.007 0.000 3.473 320 S HA -0.153 4.316 4.470 -0.000 0.000 0.339 320 S C 1.297 175.908 174.600 0.018 0.000 1.148 320 S CA 1.038 59.261 58.200 0.038 0.000 0.969 320 S CB -1.327 61.911 63.200 0.063 0.000 0.936 320 S HN 1.695 nan 8.310 nan 0.000 0.530 321 G N 0.778 109.554 108.800 -0.040 0.000 2.537 321 G HA2 0.611 4.571 3.960 -0.000 0.000 0.273 321 G HA3 0.611 4.571 3.960 -0.000 0.000 0.273 321 G C -0.173 174.746 174.900 0.032 0.000 1.189 321 G CA 0.232 45.275 45.100 -0.095 0.000 0.881 321 G HN 1.080 nan 8.290 nan 0.000 0.535 322 S N -0.975 114.776 115.700 0.085 0.000 2.541 322 S HA 0.619 5.089 4.470 -0.000 0.000 0.271 322 S C -1.458 173.219 174.600 0.130 0.000 1.133 322 S CA -0.820 57.472 58.200 0.153 0.000 0.876 322 S CB 1.982 65.334 63.200 0.253 0.000 1.105 322 S HN 1.101 nan 8.310 nan 0.000 0.470 323 L N 2.092 123.370 121.223 0.091 0.000 2.406 323 L HA 0.668 5.008 4.340 -0.000 0.000 0.270 323 L C -0.711 176.187 176.870 0.046 0.000 0.982 323 L CA 0.181 55.064 54.840 0.072 0.000 0.843 323 L CB 1.675 43.781 42.059 0.077 0.000 1.225 323 L HN 0.909 nan 8.230 nan 0.000 0.412 324 T N 3.894 118.461 114.554 0.022 0.000 2.875 324 T HA 0.812 5.162 4.350 -0.000 0.000 0.284 324 T C -0.071 174.630 174.700 0.002 0.000 0.995 324 T CA -0.167 61.935 62.100 0.005 0.000 1.060 324 T CB 1.423 70.277 68.868 -0.023 0.000 0.967 324 T HN 0.808 nan 8.240 nan 0.000 0.476 325 A N 3.058 125.893 122.820 0.025 0.000 2.304 325 A HA 0.745 5.064 4.320 -0.000 0.000 0.323 325 A C -0.387 177.222 177.584 0.042 0.000 1.195 325 A CA -0.720 51.353 52.037 0.060 0.000 0.826 325 A CB 0.406 19.482 19.000 0.126 0.000 1.184 325 A HN 0.876 nan 8.150 nan 0.000 0.496 326 L N 4.097 125.341 121.223 0.035 0.000 2.529 326 L HA 0.280 4.620 4.340 -0.000 0.000 0.246 326 L C -2.584 174.324 176.870 0.063 0.000 1.394 326 L CA -1.652 53.203 54.840 0.027 0.000 0.906 326 L CB 1.571 43.627 42.059 -0.005 0.000 1.170 326 L HN 0.441 nan 8.230 nan 0.000 0.501 327 P HA 0.127 nan 4.420 nan 0.000 0.272 327 P C -0.659 176.646 177.300 0.009 0.000 1.230 327 P CA -0.100 63.051 63.100 0.085 0.000 0.788 327 P CB 1.291 32.978 31.700 -0.023 0.000 0.949 328 V N 3.732 123.638 119.914 -0.013 0.000 2.531 328 V HA 0.386 4.506 4.120 -0.000 0.000 0.301 328 V C -0.249 175.810 176.094 -0.059 0.000 1.034 328 V CA -0.446 61.836 62.300 -0.031 0.000 0.865 328 V CB 1.699 33.513 31.823 -0.016 0.000 0.995 328 V HN 0.370 nan 8.190 nan 0.000 0.424 329 I N 3.617 124.149 120.570 -0.062 0.000 2.465 329 I HA 0.454 4.624 4.170 -0.000 0.000 0.291 329 I C 0.011 176.099 176.117 -0.049 0.000 1.014 329 I CA -0.469 60.788 61.300 -0.071 0.000 1.093 329 I CB 2.054 40.000 38.000 -0.089 0.000 1.267 329 I HN 0.762 nan 8.210 nan 0.000 0.431 330 E N 5.299 125.477 120.200 -0.038 0.000 2.073 330 E HA 0.342 4.692 4.350 -0.000 0.000 0.269 330 E C -0.303 176.292 176.600 -0.009 0.000 0.917 330 E CA -0.403 55.980 56.400 -0.029 0.000 0.757 330 E CB 0.918 30.606 29.700 -0.020 0.000 1.111 330 E HN 0.719 nan 8.360 nan 0.000 0.410 331 T N 1.957 116.510 114.554 -0.002 0.000 2.788 331 T HA 0.246 4.595 4.350 -0.000 0.000 0.280 331 T C 0.136 174.853 174.700 0.028 0.000 0.984 331 T CA -0.848 61.269 62.100 0.030 0.000 0.972 331 T CB 1.075 69.986 68.868 0.073 0.000 1.039 331 T HN 0.340 nan 8.240 nan 0.000 0.530 332 Q N 0.492 120.319 119.800 0.044 0.000 2.401 332 Q HA 0.468 4.808 4.340 -0.000 0.000 0.260 332 Q C 0.633 176.661 176.000 0.045 0.000 1.034 332 Q CA -0.025 55.801 55.803 0.040 0.000 0.737 332 Q CB 1.003 29.768 28.738 0.046 0.000 1.227 332 Q HN 1.313 nan 8.270 nan 0.000 0.488 333 G N 1.233 110.057 108.800 0.039 0.000 2.212 333 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.255 333 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.255 333 G C 0.746 175.692 174.900 0.076 0.000 1.062 333 G CA 0.512 45.639 45.100 0.046 0.000 0.815 333 G HN 1.189 nan 8.290 nan 0.000 0.497 334 G N -0.674 108.189 108.800 0.104 0.000 2.187 334 G HA2 -0.232 3.727 3.960 -0.000 0.000 0.261 334 G HA3 -0.232 3.727 3.960 -0.000 0.000 0.261 334 G C 0.258 175.267 174.900 0.182 0.000 1.000 334 G CA 1.110 46.336 45.100 0.211 0.000 0.718 334 G HN 1.544 nan 8.290 nan 0.000 0.519 335 D N 0.321 120.790 120.400 0.114 0.000 2.402 335 D HA 0.383 5.022 4.640 -0.000 0.000 0.235 335 D C 1.705 178.052 176.300 0.079 0.000 1.226 335 D CA 0.247 54.293 54.000 0.077 0.000 0.918 335 D CB 0.712 41.548 40.800 0.060 0.000 1.043 335 D HN 0.555 nan 8.370 nan 0.000 0.506 336 V N 1.199 121.147 119.914 0.057 0.000 3.623 336 V HA 0.104 4.224 4.120 -0.000 0.000 0.271 336 V C 1.237 177.343 176.094 0.020 0.000 1.248 336 V CA 0.333 62.658 62.300 0.041 0.000 1.156 336 V CB -0.090 31.725 31.823 -0.014 0.000 0.870 336 V HN 0.320 nan 8.190 nan 0.000 0.453 337 S N 1.272 116.985 115.700 0.022 0.000 2.679 337 S HA 0.642 5.112 4.470 -0.000 0.000 0.233 337 S C 0.989 175.620 174.600 0.053 0.000 0.951 337 S CA 0.330 58.547 58.200 0.028 0.000 0.973 337 S CB -0.265 62.946 63.200 0.018 0.000 0.778 337 S HN 0.871 nan 8.310 nan 0.000 0.477 338 A N 0.365 123.220 122.820 0.058 0.000 2.272 338 A HA 0.488 4.807 4.320 -0.000 0.000 0.275 338 A C 0.797 178.449 177.584 0.114 0.000 1.096 338 A CA -0.331 51.758 52.037 0.086 0.000 0.822 338 A CB 0.023 19.065 19.000 0.071 0.000 1.088 338 A HN 0.361 nan 8.150 nan 0.000 0.495 339 Y N 0.807 121.100 120.300 -0.012 0.000 2.109 339 Y HA -0.172 4.378 4.550 -0.000 0.000 0.285 339 Y C 1.859 177.703 175.900 -0.093 0.000 1.131 339 Y CA 1.912 59.989 58.100 -0.038 0.000 1.121 339 Y CB -0.196 38.250 38.460 -0.024 0.000 0.987 339 Y HN 0.477 nan 8.280 nan 0.000 0.495 340 I N 0.808 121.175 120.570 -0.339 0.000 2.142 340 I HA -0.203 3.967 4.170 -0.000 0.000 0.240 340 I C -0.329 175.615 176.117 -0.288 0.000 1.078 340 I CA 1.550 62.569 61.300 -0.469 0.000 1.343 340 I CB -2.682 35.068 38.000 -0.417 0.000 1.046 340 I HN 0.171 nan 8.210 nan 0.000 0.405 341 P HA -0.153 nan 4.420 nan 0.000 0.214 341 P C 1.840 179.089 177.300 -0.085 0.000 1.163 341 P CA 2.656 65.693 63.100 -0.104 0.000 0.889 341 P CB -0.372 31.310 31.700 -0.030 0.000 0.790 342 T N -2.530 111.995 114.554 -0.048 0.000 2.665 342 T HA -0.239 4.111 4.350 -0.000 0.000 0.268 342 T C 1.698 176.394 174.700 -0.006 0.000 1.035 342 T CA 1.739 63.833 62.100 -0.010 0.000 1.151 342 T CB -1.464 67.423 68.868 0.032 0.000 0.862 342 T HN -0.016 nan 8.240 nan 0.000 0.438 343 N N 1.605 120.277 118.700 -0.048 0.000 2.021 343 N HA -0.100 4.640 4.740 -0.000 0.000 0.198 343 N C 2.068 177.582 175.510 0.006 0.000 1.041 343 N CA 1.566 54.647 53.050 0.050 0.000 0.862 343 N CB -1.148 37.300 38.487 -0.065 0.000 1.048 343 N HN 0.374 nan 8.380 nan 0.000 0.427 344 V N 1.928 121.752 119.914 -0.151 0.000 2.332 344 V HA -0.195 3.925 4.120 -0.000 0.000 0.248 344 V C 2.306 178.343 176.094 -0.095 0.000 1.055 344 V CA 1.295 63.474 62.300 -0.202 0.000 1.038 344 V CB -0.545 31.101 31.823 -0.296 0.000 0.651 344 V HN 0.260 nan 8.190 nan 0.000 0.450 345 I N 1.264 121.802 120.570 -0.053 0.000 2.264 345 I HA -0.255 3.915 4.170 -0.000 0.000 0.248 345 I C 2.667 178.792 176.117 0.014 0.000 1.111 345 I CA 1.895 63.186 61.300 -0.015 0.000 1.382 345 I CB -0.557 37.441 38.000 -0.004 0.000 1.060 345 I HN 0.517 nan 8.210 nan 0.000 0.418 346 S N 0.952 116.682 115.700 0.051 0.000 2.423 346 S HA -0.079 4.391 4.470 -0.000 0.000 0.231 346 S C 1.878 176.536 174.600 0.097 0.000 1.014 346 S CA 0.759 59.017 58.200 0.096 0.000 0.965 346 S CB -0.580 62.723 63.200 0.172 0.000 0.785 346 S HN 0.435 nan 8.310 nan 0.000 0.495 347 I N 2.088 122.690 120.570 0.054 0.000 2.270 347 I HA -0.022 4.148 4.170 -0.000 0.000 0.239 347 I C 1.462 177.574 176.117 -0.008 0.000 1.080 347 I CA 0.920 62.221 61.300 0.001 0.000 1.383 347 I CB -1.114 36.819 38.000 -0.113 0.000 1.097 347 I HN 0.370 nan 8.210 nan 0.000 0.420 348 T N 0.593 115.130 114.554 -0.028 0.000 2.928 348 T HA -0.007 4.343 4.350 -0.000 0.000 0.305 348 T C 0.150 174.851 174.700 0.003 0.000 1.035 348 T CA -0.651 61.438 62.100 -0.017 0.000 1.145 348 T CB 0.287 69.138 68.868 -0.027 0.000 0.963 348 T HN 0.296 nan 8.240 nan 0.000 0.545 349 D N 1.654 122.059 120.400 0.009 0.000 2.896 349 D HA 0.439 5.079 4.640 -0.000 0.000 0.240 349 D C 0.651 176.960 176.300 0.014 0.000 1.193 349 D CA -0.497 53.512 54.000 0.015 0.000 0.983 349 D CB -0.598 40.212 40.800 0.018 0.000 1.074 349 D HN 1.085 nan 8.370 nan 0.000 0.496 350 G N 0.577 109.385 108.800 0.014 0.000 2.312 350 G HA2 0.272 4.232 3.960 -0.000 0.000 0.347 350 G HA3 0.272 4.232 3.960 -0.000 0.000 0.347 350 G C -1.828 173.085 174.900 0.021 0.000 1.564 350 G CA -1.068 44.043 45.100 0.018 0.000 0.981 350 G HN 0.202 nan 8.290 nan 0.000 0.678 351 Q N -0.511 119.309 119.800 0.033 0.000 2.379 351 Q HA 0.719 5.059 4.340 -0.000 0.000 0.278 351 Q C -0.482 175.560 176.000 0.070 0.000 1.068 351 Q CA -0.609 55.223 55.803 0.049 0.000 0.816 351 Q CB 2.799 31.573 28.738 0.059 0.000 1.387 351 Q HN 0.621 nan 8.270 nan 0.000 0.413 352 I N 2.255 122.869 120.570 0.075 0.000 2.428 352 I HA 0.329 4.499 4.170 -0.000 0.000 0.279 352 I C -0.995 175.190 176.117 0.114 0.000 1.040 352 I CA -0.677 60.674 61.300 0.084 0.000 1.171 352 I CB 0.473 38.498 38.000 0.042 0.000 1.312 352 I HN 0.513 nan 8.210 nan 0.000 0.470 353 F N 7.523 127.479 119.950 0.010 0.000 2.412 353 F HA 0.502 5.029 4.527 -0.000 0.000 0.348 353 F C -0.634 175.177 175.800 0.018 0.000 1.102 353 F CA -0.260 57.746 58.000 0.009 0.000 1.196 353 F CB 0.720 39.728 39.000 0.013 0.000 1.144 353 F HN 0.233 nan 8.300 nan 0.000 0.541 354 L N 6.294 127.041 121.223 -0.794 0.000 2.353 354 L HA 0.338 4.678 4.340 -0.000 0.000 0.270 354 L C -0.448 175.951 176.870 -0.786 0.000 1.003 354 L CA -0.498 54.012 54.840 -0.550 0.000 0.862 354 L CB 1.446 43.312 42.059 -0.320 0.000 1.221 354 L HN 0.618 nan 8.230 nan 0.000 0.430 355 E N 1.526 121.453 120.200 -0.454 0.000 2.283 355 E HA 0.351 4.701 4.350 -0.000 0.000 0.278 355 E C 0.697 177.284 176.600 -0.021 0.000 1.027 355 E CA -0.087 56.205 56.400 -0.179 0.000 0.843 355 E CB 1.910 31.732 29.700 0.204 0.000 1.062 355 E HN 0.699 nan 8.360 nan 0.000 0.401 356 A N 3.952 126.769 122.820 -0.005 0.000 2.067 356 A HA -0.169 4.151 4.320 -0.000 0.000 0.219 356 A C 1.806 179.497 177.584 0.178 0.000 1.158 356 A CA 1.425 53.507 52.037 0.075 0.000 0.661 356 A CB -0.278 18.739 19.000 0.029 0.000 0.801 356 A HN 0.776 nan 8.150 nan 0.000 0.452 357 E N 0.314 120.598 120.200 0.140 0.000 2.031 357 E HA -0.125 4.225 4.350 -0.000 0.000 0.193 357 E C 1.787 178.498 176.600 0.185 0.000 0.994 357 E CA 1.406 57.893 56.400 0.144 0.000 0.800 357 E CB -0.321 29.449 29.700 0.117 0.000 0.752 357 E HN 0.596 nan 8.360 nan 0.000 0.447 358 L N -0.313 121.015 121.223 0.174 0.000 2.291 358 L HA -0.048 4.292 4.340 -0.000 0.000 0.214 358 L C 2.148 179.120 176.870 0.170 0.000 1.120 358 L CA 0.442 55.376 54.840 0.157 0.000 0.799 358 L CB -0.315 41.829 42.059 0.143 0.000 0.925 358 L HN 0.178 nan 8.230 nan 0.000 0.446 359 F N -0.332 119.658 119.950 0.066 0.000 2.163 359 F HA -0.254 4.273 4.527 -0.000 0.000 0.297 359 F C 2.490 178.336 175.800 0.077 0.000 1.094 359 F CA 1.336 59.366 58.000 0.050 0.000 1.290 359 F CB -0.239 38.779 39.000 0.029 0.000 1.017 359 F HN -0.036 nan 8.300 nan 0.000 0.483 360 Y N 1.144 121.521 120.300 0.127 0.000 2.200 360 Y HA -0.151 4.399 4.550 -0.000 0.000 0.290 360 Y C 2.310 178.193 175.900 -0.029 0.000 1.137 360 Y CA 1.857 59.982 58.100 0.042 0.000 1.163 360 Y CB -0.391 38.121 38.460 0.086 0.000 0.988 360 Y HN -0.075 nan 8.280 nan 0.000 0.518 361 K N -0.848 119.632 120.400 0.134 0.000 2.152 361 K HA -0.089 4.231 4.320 -0.000 0.000 0.206 361 K C 1.471 178.021 176.600 -0.083 0.000 1.048 361 K CA 1.328 57.641 56.287 0.044 0.000 0.933 361 K CB -0.360 32.194 32.500 0.089 0.000 0.721 361 K HN 0.607 nan 8.250 nan 0.000 0.447 362 G N 0.184 108.901 108.800 -0.139 0.000 2.367 362 G HA2 -0.154 3.806 3.960 -0.000 0.000 0.181 362 G HA3 -0.154 3.806 3.960 -0.000 0.000 0.181 362 G C -0.117 174.694 174.900 -0.149 0.000 1.000 362 G CA -0.545 44.442 45.100 -0.189 0.000 0.693 362 G HN 0.066 nan 8.290 nan 0.000 0.480 363 I N 3.005 123.532 120.570 -0.072 0.000 2.574 363 I HA 0.321 4.490 4.170 -0.000 0.000 0.291 363 I C 0.817 176.917 176.117 -0.029 0.000 1.131 363 I CA 0.649 61.937 61.300 -0.019 0.000 1.352 363 I CB 0.105 38.132 38.000 0.046 0.000 1.431 363 I HN 0.097 nan 8.210 nan 0.000 0.543 364 R N 7.007 127.476 120.500 -0.051 0.000 2.476 364 R HA 0.499 4.839 4.340 -0.000 0.000 0.305 364 R C -2.584 173.725 176.300 0.015 0.000 0.965 364 R CA -1.791 54.296 56.100 -0.021 0.000 0.867 364 R CB 1.485 31.710 30.300 -0.125 0.000 1.176 364 R HN 0.203 nan 8.270 nan 0.000 0.447 365 P HA 0.068 nan 4.420 nan 0.000 0.274 365 P C -0.529 176.836 177.300 0.108 0.000 1.237 365 P CA -0.363 62.795 63.100 0.097 0.000 0.793 365 P CB 0.802 32.540 31.700 0.063 0.000 0.977 366 A N 3.418 126.335 122.820 0.161 0.000 3.077 366 A HA 0.185 4.505 4.320 -0.000 0.000 0.255 366 A C 0.310 177.952 177.584 0.096 0.000 1.728 366 A CA -0.199 51.923 52.037 0.140 0.000 1.383 366 A CB -1.313 17.804 19.000 0.195 0.000 1.097 366 A HN 0.343 nan 8.150 nan 0.000 0.634 367 I N 1.741 122.369 120.570 0.097 0.000 2.421 367 I HA -0.003 4.167 4.170 -0.000 0.000 0.291 367 I C 0.661 176.865 176.117 0.145 0.000 1.089 367 I CA 0.174 61.538 61.300 0.106 0.000 1.354 367 I CB -0.332 37.721 38.000 0.088 0.000 1.413 367 I HN 0.587 nan 8.210 nan 0.000 0.513 368 N N 6.178 125.004 118.700 0.210 0.000 2.402 368 N HA 0.106 4.846 4.740 -0.000 0.000 0.252 368 N C 0.850 176.453 175.510 0.155 0.000 1.118 368 N CA -0.368 52.815 53.050 0.221 0.000 0.945 368 N CB 1.331 40.032 38.487 0.358 0.000 1.147 368 N HN 0.384 nan 8.380 nan 0.000 0.495 369 V N 3.428 123.414 119.914 0.120 0.000 2.913 369 V HA -0.062 4.057 4.120 -0.000 0.000 0.260 369 V C 2.252 178.386 176.094 0.067 0.000 1.098 369 V CA 1.670 64.026 62.300 0.094 0.000 1.121 369 V CB -0.566 31.316 31.823 0.098 0.000 0.714 369 V HN 0.793 nan 8.190 nan 0.000 0.487 370 G N -0.419 108.414 108.800 0.055 0.000 2.430 370 G HA2 -0.041 3.919 3.960 -0.000 0.000 0.216 370 G HA3 -0.041 3.919 3.960 -0.000 0.000 0.216 370 G C 1.465 176.357 174.900 -0.014 0.000 1.146 370 G CA 0.456 45.565 45.100 0.016 0.000 0.793 370 G HN 0.494 nan 8.290 nan 0.000 0.537 371 L N 0.262 121.469 121.223 -0.026 0.000 2.537 371 L HA 0.258 4.598 4.340 -0.000 0.000 0.224 371 L C 0.745 177.614 176.870 -0.001 0.000 1.065 371 L CA -0.043 54.752 54.840 -0.075 0.000 0.860 371 L CB 0.478 42.378 42.059 -0.265 0.000 1.086 371 L HN -0.019 nan 8.230 nan 0.000 0.482 372 S N 0.193 115.931 115.700 0.064 0.000 2.565 372 S HA 0.443 4.913 4.470 -0.000 0.000 0.276 372 S C -0.435 174.198 174.600 0.055 0.000 1.326 372 S CA -0.209 58.042 58.200 0.086 0.000 1.045 372 S CB 1.975 65.247 63.200 0.119 0.000 0.918 372 S HN 0.028 nan 8.310 nan 0.000 0.505 373 V N 2.445 122.387 119.914 0.047 0.000 2.915 373 V HA 0.458 4.578 4.120 -0.000 0.000 0.282 373 V C -0.869 175.243 176.094 0.030 0.000 1.445 373 V CA -0.573 61.749 62.300 0.036 0.000 0.953 373 V CB 2.108 33.947 31.823 0.027 0.000 1.140 373 V HN 0.803 nan 8.190 nan 0.000 0.440 374 S N 6.174 121.890 115.700 0.027 0.000 2.422 374 S HA 0.460 4.930 4.470 -0.000 0.000 0.298 374 S C 1.128 175.740 174.600 0.019 0.000 1.118 374 S CA -0.509 57.703 58.200 0.021 0.000 1.083 374 S CB 0.868 64.078 63.200 0.017 0.000 0.971 374 S HN 0.804 nan 8.310 nan 0.000 0.478 375 R N 2.243 122.754 120.500 0.018 0.000 2.200 375 R HA -0.048 4.292 4.340 -0.000 0.000 0.234 375 R C 0.566 176.876 176.300 0.018 0.000 1.127 375 R CA 1.184 57.295 56.100 0.018 0.000 0.989 375 R CB -0.335 29.976 30.300 0.018 0.000 0.869 375 R HN 0.612 nan 8.270 nan 0.000 0.459 376 V N -1.833 118.091 119.914 0.016 0.000 2.257 376 V HA 0.449 4.569 4.120 -0.000 0.000 0.269 376 V C 0.915 177.016 176.094 0.013 0.000 1.040 376 V CA -0.611 61.699 62.300 0.015 0.000 0.813 376 V CB 0.916 32.747 31.823 0.014 0.000 1.065 376 V HN 0.137 nan 8.190 nan 0.000 0.457 377 G N 3.354 112.163 108.800 0.016 0.000 2.688 377 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.211 377 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.211 377 G C 1.355 176.263 174.900 0.014 0.000 1.399 377 G CA 0.963 46.073 45.100 0.016 0.000 0.901 377 G HN 0.628 nan 8.290 nan 0.000 0.555 378 S N 1.234 116.944 115.700 0.017 0.000 2.382 378 S HA -0.048 4.422 4.470 -0.000 0.000 0.228 378 S C 2.643 177.253 174.600 0.016 0.000 1.027 378 S CA 1.268 59.478 58.200 0.017 0.000 0.991 378 S CB -0.424 62.788 63.200 0.019 0.000 0.823 378 S HN 0.639 nan 8.310 nan 0.000 0.469 379 A N 0.899 123.731 122.820 0.019 0.000 2.019 379 A HA 0.287 4.607 4.320 -0.000 0.000 0.219 379 A C 1.786 179.380 177.584 0.018 0.000 1.164 379 A CA 1.362 53.414 52.037 0.026 0.000 0.644 379 A CB -0.431 18.588 19.000 0.032 0.000 0.805 379 A HN 0.502 nan 8.150 nan 0.000 0.449 380 A N -1.237 121.584 122.820 0.002 0.000 2.713 380 A HA 0.507 4.827 4.320 -0.000 0.000 0.296 380 A C 0.278 177.843 177.584 -0.032 0.000 1.255 380 A CA -0.154 51.868 52.037 -0.024 0.000 0.955 380 A CB -0.114 18.871 19.000 -0.024 0.000 1.149 380 A HN 0.519 nan 8.150 nan 0.000 0.538 381 Q N -0.181 119.608 119.800 -0.018 0.000 2.421 381 Q HA 0.534 4.874 4.340 -0.000 0.000 0.280 381 Q C -1.325 174.670 176.000 -0.009 0.000 1.085 381 Q CA -0.679 55.115 55.803 -0.014 0.000 0.807 381 Q CB 2.524 31.262 28.738 0.000 0.000 1.405 381 Q HN 0.150 nan 8.270 nan 0.000 0.419 382 V N 4.140 124.050 119.914 -0.006 0.000 2.485 382 V HA -0.028 4.092 4.120 -0.000 0.000 0.287 382 V C 1.086 177.187 176.094 0.012 0.000 1.022 382 V CA 0.399 62.702 62.300 0.004 0.000 1.067 382 V CB 0.630 32.463 31.823 0.016 0.000 0.967 382 V HN 0.848 nan 8.190 nan 0.000 0.479 383 K N 3.583 123.991 120.400 0.013 0.000 2.218 383 K HA -0.221 4.099 4.320 -0.000 0.000 0.205 383 K C 2.144 178.752 176.600 0.014 0.000 1.046 383 K CA 1.488 57.783 56.287 0.014 0.000 0.933 383 K CB -0.196 32.313 32.500 0.015 0.000 0.728 383 K HN 0.846 nan 8.250 nan 0.000 0.454 384 A N 1.424 124.252 122.820 0.014 0.000 1.877 384 A HA -0.147 4.173 4.320 -0.000 0.000 0.216 384 A C 2.110 179.704 177.584 0.016 0.000 1.186 384 A CA 1.233 53.277 52.037 0.011 0.000 0.620 384 A CB -0.560 18.448 19.000 0.013 0.000 0.822 384 A HN 0.160 nan 8.150 nan 0.000 0.443 385 L N -0.564 120.672 121.223 0.021 0.000 2.017 385 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 385 L C 2.643 179.528 176.870 0.025 0.000 1.073 385 L CA 1.949 56.804 54.840 0.025 0.000 0.745 385 L CB -0.440 41.633 42.059 0.024 0.000 0.894 385 L HN 0.492 nan 8.230 nan 0.000 0.432 386 K N 0.121 120.534 120.400 0.021 0.000 2.074 386 K HA -0.269 4.051 4.320 -0.000 0.000 0.209 386 K C 2.075 178.690 176.600 0.026 0.000 1.048 386 K CA 1.816 58.117 56.287 0.022 0.000 0.926 386 K CB -0.034 32.478 32.500 0.019 0.000 0.713 386 K HN 0.411 nan 8.250 nan 0.000 0.444 387 Q N 0.018 119.833 119.800 0.025 0.000 2.123 387 Q HA -0.091 4.249 4.340 -0.000 0.000 0.199 387 Q C 2.097 178.128 176.000 0.051 0.000 0.966 387 Q CA 1.513 57.334 55.803 0.030 0.000 0.845 387 Q CB 0.101 28.849 28.738 0.017 0.000 0.907 387 Q HN 0.392 nan 8.270 nan 0.000 0.439 388 V N -2.742 117.205 119.914 0.054 0.000 3.129 388 V HA 0.239 4.359 4.120 -0.000 0.000 0.259 388 V C 1.011 177.146 176.094 0.069 0.000 1.116 388 V CA 0.844 63.203 62.300 0.098 0.000 1.127 388 V CB -0.178 31.698 31.823 0.088 0.000 0.742 388 V HN 0.150 nan 8.190 nan 0.000 0.474 389 A N 1.247 124.089 122.820 0.037 0.000 3.150 389 A HA 0.714 5.034 4.320 -0.000 0.000 0.328 389 A C 0.862 178.451 177.584 0.009 0.000 1.104 389 A CA 0.226 52.270 52.037 0.012 0.000 0.937 389 A CB -0.676 18.334 19.000 0.017 0.000 1.073 389 A HN 0.683 nan 8.150 nan 0.000 0.497 390 G N 0.523 109.323 108.800 0.000 0.000 2.428 390 G HA2 0.375 4.335 3.960 -0.000 0.000 0.290 390 G HA3 0.375 4.335 3.960 -0.000 0.000 0.290 390 G C 0.614 175.518 174.900 0.007 0.000 0.996 390 G CA 0.650 45.753 45.100 0.005 0.000 1.406 390 G HN 1.126 nan 8.290 nan 0.000 0.445 391 S N 0.460 116.178 115.700 0.030 0.000 3.631 391 S HA -0.207 4.262 4.470 -0.000 0.000 0.366 391 S C 1.529 176.178 174.600 0.081 0.000 0.993 391 S CA 0.549 58.782 58.200 0.056 0.000 1.167 391 S CB -1.083 62.156 63.200 0.066 0.000 0.909 391 S HN 0.763 nan 8.310 nan 0.000 0.478 392 L N 1.090 122.345 121.223 0.053 0.000 2.191 392 L HA 0.028 4.368 4.340 -0.000 0.000 0.212 392 L C 2.035 178.990 176.870 0.143 0.000 1.103 392 L CA 2.293 57.174 54.840 0.068 0.000 0.769 392 L CB -0.390 41.681 42.059 0.020 0.000 0.908 392 L HN 0.458 nan 8.230 nan 0.000 0.438 393 K N -0.652 119.812 120.400 0.107 0.000 1.985 393 K HA -0.132 4.187 4.320 -0.000 0.000 0.210 393 K C 2.013 178.684 176.600 0.117 0.000 1.047 393 K CA 1.735 58.083 56.287 0.101 0.000 0.932 393 K CB -0.244 32.298 32.500 0.071 0.000 0.716 393 K HN 0.369 nan 8.250 nan 0.000 0.439 394 L N 0.494 121.785 121.223 0.113 0.000 2.376 394 L HA -0.087 4.253 4.340 -0.000 0.000 0.219 394 L C 2.146 179.091 176.870 0.125 0.000 1.133 394 L CA 0.280 55.178 54.840 0.096 0.000 0.816 394 L CB -0.233 41.871 42.059 0.075 0.000 0.933 394 L HN 0.237 nan 8.230 nan 0.000 0.449 395 F N 0.539 120.509 119.950 0.033 0.000 2.186 395 F HA -0.155 4.372 4.527 -0.000 0.000 0.299 395 F C 1.961 177.805 175.800 0.073 0.000 1.090 395 F CA 1.433 59.455 58.000 0.038 0.000 1.307 395 F CB 0.067 39.074 39.000 0.011 0.000 1.019 395 F HN -0.101 nan 8.300 nan 0.000 0.489 396 L N -0.280 121.036 121.223 0.155 0.000 2.418 396 L HA 0.088 4.428 4.340 -0.000 0.000 0.218 396 L C 2.505 179.428 176.870 0.089 0.000 1.125 396 L CA 0.663 55.572 54.840 0.116 0.000 0.835 396 L CB -0.736 41.428 42.059 0.174 0.000 0.953 396 L HN 0.199 nan 8.230 nan 0.000 0.454 397 A N -0.841 122.013 122.820 0.056 0.000 2.168 397 A HA -0.102 4.218 4.320 -0.000 0.000 0.215 397 A C 2.102 179.680 177.584 -0.010 0.000 1.152 397 A CA 0.977 53.033 52.037 0.031 0.000 0.716 397 A CB -0.040 18.979 19.000 0.032 0.000 0.794 397 A HN 0.354 nan 8.150 nan 0.000 0.465 398 Q N -2.651 117.119 119.800 -0.049 0.000 2.391 398 Q HA 0.068 4.408 4.340 -0.000 0.000 0.243 398 Q C 1.611 177.539 176.000 -0.119 0.000 0.874 398 Q CA 0.553 56.303 55.803 -0.090 0.000 0.950 398 Q CB -0.320 28.355 28.738 -0.106 0.000 1.103 398 Q HN 0.817 nan 8.270 nan 0.000 0.544 399 Y N 2.016 122.148 120.300 -0.279 0.000 2.224 399 Y HA -0.126 4.424 4.550 -0.000 0.000 0.289 399 Y C 2.351 178.180 175.900 -0.119 0.000 1.146 399 Y CA 1.682 59.621 58.100 -0.267 0.000 1.182 399 Y CB 0.087 38.341 38.460 -0.342 0.000 0.983 399 Y HN -0.061 nan 8.280 nan 0.000 0.524 400 R N 0.461 120.852 120.500 -0.183 0.000 2.073 400 R HA -0.159 4.180 4.340 -0.000 0.000 0.229 400 R C 2.289 178.484 176.300 -0.176 0.000 1.120 400 R CA 1.538 57.509 56.100 -0.215 0.000 0.967 400 R CB -0.349 29.938 30.300 -0.021 0.000 0.862 400 R HN 0.494 nan 8.270 nan 0.000 0.436 401 E N -0.183 119.949 120.200 -0.114 0.000 2.331 401 E HA -0.138 4.212 4.350 -0.000 0.000 0.199 401 E C 1.367 177.914 176.600 -0.087 0.000 1.008 401 E CA 0.923 57.275 56.400 -0.081 0.000 0.843 401 E CB 0.297 29.954 29.700 -0.072 0.000 0.761 401 E HN 0.193 nan 8.360 nan 0.000 0.507 402 V N -0.135 119.692 119.914 -0.144 0.000 2.949 402 V HA 0.049 4.169 4.120 -0.000 0.000 0.245 402 V C 2.143 178.171 176.094 -0.110 0.000 1.086 402 V CA 1.003 63.238 62.300 -0.109 0.000 1.097 402 V CB 0.193 31.936 31.823 -0.135 0.000 0.762 402 V HN 0.343 nan 8.190 nan 0.000 0.470 403 A N 0.501 123.157 122.820 -0.274 0.000 1.978 403 A HA -0.153 4.167 4.320 -0.000 0.000 0.220 403 A C 2.300 179.818 177.584 -0.109 0.000 1.170 403 A CA 2.253 54.125 52.037 -0.275 0.000 0.636 403 A CB -0.490 18.233 19.000 -0.462 0.000 0.810 403 A HN 0.565 nan 8.150 nan 0.000 0.448 404 A N -2.078 120.708 122.820 -0.057 0.000 1.975 404 A HA 0.168 4.488 4.320 -0.000 0.000 0.215 404 A C 1.857 179.456 177.584 0.026 0.000 1.170 404 A CA 1.012 53.043 52.037 -0.011 0.000 0.656 404 A CB -0.509 18.494 19.000 0.005 0.000 0.821 404 A HN 0.549 nan 8.150 nan 0.000 0.449 405 F N 0.883 120.788 119.950 -0.075 0.000 2.699 405 F HA 0.282 4.809 4.527 -0.000 0.000 0.298 405 F C 1.472 177.242 175.800 -0.051 0.000 1.154 405 F CA 0.312 58.278 58.000 -0.057 0.000 1.457 405 F CB -0.008 38.958 39.000 -0.057 0.000 1.106 405 F HN 0.166 nan 8.300 nan 0.000 0.585 406 A N 1.367 124.209 122.820 0.037 0.000 2.805 406 A HA 0.440 4.760 4.320 -0.000 0.000 0.301 406 A C -0.113 177.432 177.584 -0.065 0.000 1.557 406 A CA 0.052 52.087 52.037 -0.003 0.000 1.254 406 A CB -0.380 18.620 19.000 -0.000 0.000 1.114 406 A HN 0.491 nan 8.150 nan 0.000 0.553 413 D N -0.482 119.931 120.400 0.021 0.000 2.621 413 D HA 0.847 5.487 4.640 -0.000 0.000 0.255 413 D C 0.043 176.353 176.300 0.017 0.000 1.122 413 D CA 0.430 54.442 54.000 0.020 0.000 1.096 413 D CB 2.342 43.156 40.800 0.025 0.000 1.282 413 D HN 0.587 nan 8.370 nan 0.000 0.619 414 A N -0.715 122.114 122.820 0.015 0.000 2.141 414 A HA 0.166 4.486 4.320 -0.000 0.000 0.196 414 A C 1.566 179.158 177.584 0.014 0.000 1.502 414 A CA 0.954 52.998 52.037 0.012 0.000 1.075 414 A CB -0.450 18.555 19.000 0.008 0.000 1.217 414 A HN 0.412 nan 8.150 nan 0.000 0.477 415 S N 0.555 116.263 115.700 0.014 0.000 2.303 415 S HA -0.116 4.354 4.470 -0.000 0.000 0.207 415 S C 1.971 176.586 174.600 0.024 0.000 1.025 415 S CA 1.907 60.116 58.200 0.016 0.000 0.953 415 S CB -1.543 61.664 63.200 0.011 0.000 0.932 415 S HN 0.707 nan 8.310 nan 0.000 0.472 416 T N -0.731 113.835 114.554 0.020 0.000 3.072 416 T HA 0.172 4.522 4.350 -0.000 0.000 0.266 416 T C 1.519 176.239 174.700 0.034 0.000 1.127 416 T CA 0.893 63.006 62.100 0.022 0.000 1.107 416 T CB -0.307 68.562 68.868 0.001 0.000 0.910 416 T HN 0.407 nan 8.240 nan 0.000 0.513 417 K N 0.059 120.480 120.400 0.034 0.000 2.365 417 K HA 0.079 4.399 4.320 -0.000 0.000 0.197 417 K C 2.383 179.013 176.600 0.051 0.000 1.042 417 K CA 0.161 56.472 56.287 0.041 0.000 0.987 417 K CB 0.046 32.564 32.500 0.032 0.000 0.779 417 K HN 0.188 nan 8.250 nan 0.000 0.484 418 Q N 0.291 120.120 119.800 0.047 0.000 2.212 418 Q HA -0.057 4.283 4.340 -0.000 0.000 0.199 418 Q C 1.598 177.642 176.000 0.074 0.000 0.950 418 Q CA 1.643 57.473 55.803 0.046 0.000 0.863 418 Q CB 0.098 28.852 28.738 0.027 0.000 0.944 418 Q HN 0.420 nan 8.270 nan 0.000 0.465 419 T N -0.830 113.784 114.554 0.100 0.000 3.007 419 T HA -0.111 4.239 4.350 -0.000 0.000 0.270 419 T C 1.783 176.605 174.700 0.203 0.000 1.107 419 T CA 0.670 62.870 62.100 0.167 0.000 1.118 419 T CB -0.143 68.827 68.868 0.171 0.000 0.889 419 T HN 0.088 nan 8.240 nan 0.000 0.506 420 L N 1.144 122.473 121.223 0.176 0.000 2.179 420 L HA 0.195 4.535 4.340 -0.000 0.000 0.208 420 L C 2.405 179.399 176.870 0.208 0.000 1.096 420 L CA 0.997 55.985 54.840 0.248 0.000 0.779 420 L CB -0.219 41.918 42.059 0.130 0.000 0.922 420 L HN 0.146 nan 8.230 nan 0.000 0.443 421 V N -0.674 119.309 119.914 0.116 0.000 3.041 421 V HA -0.068 4.052 4.120 -0.000 0.000 0.260 421 V C 2.550 178.673 176.094 0.048 0.000 1.105 421 V CA 0.838 63.181 62.300 0.071 0.000 1.125 421 V CB -0.844 31.001 31.823 0.037 0.000 0.730 421 V HN 0.353 nan 8.190 nan 0.000 0.479 422 R N 1.010 121.548 120.500 0.063 0.000 2.057 422 R HA 0.053 4.393 4.340 -0.000 0.000 0.224 422 R C 2.482 178.768 176.300 -0.022 0.000 1.136 422 R CA 1.422 57.539 56.100 0.029 0.000 0.968 422 R CB -1.110 29.240 30.300 0.083 0.000 0.863 422 R HN 0.513 nan 8.270 nan 0.000 0.433 423 G N 1.070 109.816 108.800 -0.089 0.000 2.471 423 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.219 423 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.219 423 G C 1.330 176.022 174.900 -0.345 0.000 1.125 423 G CA 0.378 45.141 45.100 -0.562 0.000 0.775 423 G HN 0.401 nan 8.290 nan 0.000 0.548 424 E N 0.636 120.830 120.200 -0.010 0.000 2.077 424 E HA -0.139 4.211 4.350 -0.000 0.000 0.193 424 E C 2.506 179.118 176.600 0.021 0.000 0.989 424 E CA 0.758 57.210 56.400 0.088 0.000 0.800 424 E CB -0.040 29.724 29.700 0.105 0.000 0.746 424 E HN 0.441 nan 8.360 nan 0.000 0.452 425 R N -0.168 120.325 120.500 -0.011 0.000 2.223 425 R HA 0.021 4.361 4.340 -0.000 0.000 0.198 425 R C 2.454 178.735 176.300 -0.032 0.000 0.984 425 R CA 0.228 56.318 56.100 -0.017 0.000 1.018 425 R CB -0.199 30.085 30.300 -0.025 0.000 0.945 425 R HN 0.161 nan 8.270 nan 0.000 0.479 426 L N 1.221 122.407 121.223 -0.062 0.000 1.994 426 L HA -0.133 4.207 4.340 -0.000 0.000 0.208 426 L C 1.875 178.718 176.870 -0.045 0.000 1.071 426 L CA 2.043 56.842 54.840 -0.067 0.000 0.745 426 L CB -0.755 41.245 42.059 -0.098 0.000 0.892 426 L HN 0.009 nan 8.230 nan 0.000 0.431 427 T N -0.718 113.800 114.554 -0.060 0.000 2.788 427 T HA -0.199 4.151 4.350 -0.000 0.000 0.268 427 T C 1.836 176.546 174.700 0.017 0.000 1.044 427 T CA 1.348 63.446 62.100 -0.003 0.000 1.139 427 T CB -0.239 68.655 68.868 0.044 0.000 0.867 427 T HN 0.360 nan 8.240 nan 0.000 0.454 428 Q N 0.317 120.124 119.800 0.012 0.000 2.230 428 Q HA 0.020 4.360 4.340 -0.000 0.000 0.202 428 Q C 2.219 178.228 176.000 0.015 0.000 0.963 428 Q CA 0.849 56.661 55.803 0.015 0.000 0.866 428 Q CB -0.379 28.367 28.738 0.014 0.000 0.931 428 Q HN 0.424 nan 8.270 nan 0.000 0.452 429 L N 0.112 121.342 121.223 0.012 0.000 2.044 429 L HA -0.057 4.283 4.340 -0.000 0.000 0.205 429 L C 2.148 179.033 176.870 0.024 0.000 1.075 429 L CA 1.317 56.170 54.840 0.022 0.000 0.747 429 L CB -0.617 41.453 42.059 0.017 0.000 0.903 429 L HN 0.168 nan 8.230 nan 0.000 0.435 430 L N -0.254 120.980 121.223 0.019 0.000 2.261 430 L HA -0.186 4.154 4.340 -0.000 0.000 0.216 430 L C 0.894 177.779 176.870 0.024 0.000 1.114 430 L CA 0.577 55.431 54.840 0.024 0.000 0.777 430 L CB -0.649 41.427 42.059 0.028 0.000 0.910 430 L HN 0.179 nan 8.230 nan 0.000 0.440 431 K N 1.563 121.975 120.400 0.019 0.000 2.453 431 K HA -0.006 4.314 4.320 -0.000 0.000 0.280 431 K C 0.021 176.627 176.600 0.010 0.000 1.045 431 K CA 0.470 56.763 56.287 0.010 0.000 1.059 431 K CB 0.293 32.794 32.500 0.001 0.000 0.901 431 K HN 0.120 nan 8.250 nan 0.000 0.475 432 Q N 3.023 122.826 119.800 0.005 0.000 2.347 432 Q HA 0.192 4.532 4.340 -0.000 0.000 0.271 432 Q C -0.986 175.010 176.000 -0.005 0.000 1.064 432 Q CA -0.928 54.879 55.803 0.006 0.000 0.800 432 Q CB 1.326 30.071 28.738 0.012 0.000 1.304 432 Q HN 0.482 nan 8.270 nan 0.000 0.438 433 N N 2.283 120.984 118.700 0.001 0.000 2.467 433 N HA 0.055 4.795 4.740 -0.000 0.000 0.262 433 N C -0.692 174.809 175.510 -0.016 0.000 1.234 433 N CA -0.187 52.862 53.050 -0.001 0.000 0.952 433 N CB 0.719 39.219 38.487 0.021 0.000 1.158 433 N HN 0.598 nan 8.380 nan 0.000 0.463 434 Q N 0.341 120.119 119.800 -0.036 0.000 2.332 434 Q HA 0.002 4.342 4.340 -0.000 0.000 0.263 434 Q C -0.637 175.334 176.000 -0.049 0.000 0.979 434 Q CA -0.062 55.641 55.803 -0.166 0.000 0.885 434 Q CB 0.142 28.735 28.738 -0.240 0.000 1.218 434 Q HN 0.546 nan 8.270 nan 0.000 0.405 435 Y N 0.451 120.751 120.300 -0.000 0.000 3.929 435 Y HA -0.242 4.308 4.550 -0.000 0.000 0.225 435 Y C -0.215 175.706 175.900 0.033 0.000 1.200 435 Y CA 0.869 58.971 58.100 0.003 0.000 1.791 435 Y CB -2.105 36.377 38.460 0.037 0.000 1.561 435 Y HN 0.422 nan 8.280 nan 0.000 0.657 436 S N -0.322 115.442 115.700 0.106 0.000 2.272 436 S HA 0.364 4.834 4.470 -0.000 0.000 0.207 436 S C -2.222 172.413 174.600 0.059 0.000 1.336 436 S CA -0.949 57.301 58.200 0.084 0.000 1.259 436 S CB 0.779 64.016 63.200 0.063 0.000 1.130 436 S HN 0.026 nan 8.310 nan 0.000 0.444 437 P HA 0.289 nan 4.420 nan 0.000 0.270 437 P C -0.488 176.843 177.300 0.051 0.000 1.223 437 P CA -0.202 62.933 63.100 0.059 0.000 0.785 437 P CB 0.619 32.364 31.700 0.076 0.000 0.923 438 L N -0.020 121.235 121.223 0.053 0.000 2.277 438 L HA 0.798 5.138 4.340 -0.000 0.000 0.254 438 L C 0.026 176.927 176.870 0.052 0.000 1.044 438 L CA -1.357 53.508 54.840 0.042 0.000 0.842 438 L CB 1.724 43.808 42.059 0.042 0.000 1.422 438 L HN 0.301 nan 8.230 nan 0.000 0.422 439 A N -0.572 122.268 122.820 0.034 0.000 2.281 439 A HA 0.539 4.859 4.320 -0.000 0.000 0.329 439 A C 0.803 178.424 177.584 0.062 0.000 1.122 439 A CA -0.256 51.804 52.037 0.039 0.000 0.850 439 A CB 0.992 19.981 19.000 -0.018 0.000 1.207 439 A HN 0.802 nan 8.150 nan 0.000 0.495 440 T N 0.897 115.504 114.554 0.087 0.000 2.737 440 T HA -0.165 4.185 4.350 -0.000 0.000 0.269 440 T C 1.567 176.299 174.700 0.055 0.000 1.040 440 T CA 1.927 64.074 62.100 0.078 0.000 1.142 440 T CB -0.212 68.711 68.868 0.092 0.000 0.861 440 T HN 0.836 nan 8.240 nan 0.000 0.456 441 E N 1.965 122.191 120.200 0.043 0.000 2.208 441 E HA -0.144 4.206 4.350 -0.000 0.000 0.193 441 E C 1.607 178.239 176.600 0.052 0.000 0.988 441 E CA 0.955 57.378 56.400 0.039 0.000 0.828 441 E CB -0.343 29.369 29.700 0.022 0.000 0.763 441 E HN 0.613 nan 8.360 nan 0.000 0.478 442 E N 0.656 120.885 120.200 0.048 0.000 2.358 442 E HA -0.062 4.288 4.350 -0.000 0.000 0.195 442 E C 2.036 178.675 176.600 0.066 0.000 1.010 442 E CA 0.480 56.915 56.400 0.059 0.000 0.856 442 E CB 0.066 29.790 29.700 0.040 0.000 0.795 442 E HN 0.412 nan 8.360 nan 0.000 0.504 443 Q N 0.317 120.152 119.800 0.059 0.000 2.165 443 Q HA -0.060 4.280 4.340 -0.000 0.000 0.197 443 Q C 2.577 178.611 176.000 0.056 0.000 0.952 443 Q CA 1.158 56.994 55.803 0.055 0.000 0.848 443 Q CB 0.064 28.832 28.738 0.050 0.000 0.931 443 Q HN 0.226 nan 8.270 nan 0.000 0.470 444 V N -0.619 119.328 119.914 0.054 0.000 2.332 444 V HA -0.141 3.979 4.120 -0.000 0.000 0.248 444 V C -0.865 175.266 176.094 0.062 0.000 1.055 444 V CA 1.237 63.566 62.300 0.049 0.000 1.038 444 V CB -2.206 29.636 31.823 0.031 0.000 0.651 444 V HN 0.166 nan 8.190 nan 0.000 0.450 445 P HA -0.029 nan 4.420 nan 0.000 0.216 445 P C 2.079 179.415 177.300 0.059 0.000 1.153 445 P CA 1.304 64.448 63.100 0.074 0.000 0.844 445 P CB -0.137 31.640 31.700 0.129 0.000 0.787 446 L N -1.005 120.253 121.223 0.059 0.000 2.042 446 L HA -0.171 4.169 4.340 -0.000 0.000 0.210 446 L C 2.299 179.188 176.870 0.032 0.000 1.076 446 L CA 1.281 56.151 54.840 0.051 0.000 0.749 446 L CB -1.022 41.073 42.059 0.061 0.000 0.893 446 L HN -0.064 nan 8.230 nan 0.000 0.432 447 I N -1.054 119.543 120.570 0.043 0.000 2.361 447 I HA -0.301 3.868 4.170 -0.000 0.000 0.251 447 I C 2.445 178.581 176.117 0.031 0.000 1.133 447 I CA 1.574 62.890 61.300 0.028 0.000 1.413 447 I CB -1.162 36.862 38.000 0.039 0.000 1.073 447 I HN 0.273 nan 8.210 nan 0.000 0.424 448 Y N 1.964 122.215 120.300 -0.080 0.000 2.509 448 Y HA 0.001 4.551 4.550 -0.000 0.000 0.293 448 Y C 2.430 178.231 175.900 -0.165 0.000 1.133 448 Y CA 0.916 58.945 58.100 -0.118 0.000 1.283 448 Y CB -0.083 38.291 38.460 -0.143 0.000 1.001 448 Y HN 0.111 nan 8.280 nan 0.000 0.555 449 A N -0.874 121.856 122.820 -0.149 0.000 2.021 449 A HA 0.138 4.458 4.320 -0.000 0.000 0.216 449 A C 2.352 179.904 177.584 -0.054 0.000 1.163 449 A CA 1.110 53.057 52.037 -0.149 0.000 0.676 449 A CB -1.081 17.849 19.000 -0.117 0.000 0.818 449 A HN 0.492 nan 8.150 nan 0.000 0.453 450 G N -0.107 108.634 108.800 -0.098 0.000 2.437 450 G HA2 0.033 3.993 3.960 -0.000 0.000 0.212 450 G HA3 0.033 3.993 3.960 -0.000 0.000 0.212 450 G C 1.558 176.327 174.900 -0.218 0.000 1.174 450 G CA 1.222 46.245 45.100 -0.130 0.000 0.811 450 G HN 0.780 nan 8.290 nan 0.000 0.537 451 V N -0.245 119.524 119.914 -0.242 0.000 2.469 451 V HA -0.138 3.982 4.120 -0.000 0.000 0.251 451 V C 1.753 177.665 176.094 -0.304 0.000 1.064 451 V CA 2.129 64.232 62.300 -0.329 0.000 1.066 451 V CB -0.448 31.238 31.823 -0.228 0.000 0.667 451 V HN 0.267 nan 8.190 nan 0.000 0.461 452 N N 0.445 119.002 118.700 -0.238 0.000 2.197 452 N HA 0.272 5.011 4.740 -0.000 0.000 0.201 452 N C 1.080 176.427 175.510 -0.272 0.000 1.148 452 N CA 0.870 53.781 53.050 -0.231 0.000 0.883 452 N CB 1.039 39.398 38.487 -0.214 0.000 1.012 452 N HN 0.829 nan 8.380 nan 0.000 0.507 453 G N 1.348 110.036 108.800 -0.188 0.000 2.694 453 G HA2 -0.240 3.720 3.960 -0.000 0.000 0.247 453 G HA3 -0.240 3.720 3.960 -0.000 0.000 0.247 453 G C -0.173 174.543 174.900 -0.307 0.000 0.989 453 G CA -0.042 44.943 45.100 -0.191 0.000 1.252 453 G HN 0.498 nan 8.290 nan 0.000 0.483 454 H N 0.619 119.564 119.070 -0.208 0.000 2.986 454 H HA 0.353 4.909 4.556 -0.000 0.000 0.267 454 H C 1.923 177.108 175.328 -0.238 0.000 1.072 454 H CA 0.262 56.183 56.048 -0.212 0.000 1.202 454 H CB 0.610 30.237 29.762 -0.225 0.000 1.535 454 H HN 0.434 nan 8.280 nan 0.000 0.522 455 L N 0.301 121.443 121.223 -0.135 0.000 3.202 455 L HA 0.197 4.536 4.340 -0.000 0.000 0.278 455 L C 0.230 177.014 176.870 -0.142 0.000 1.268 455 L CA 0.005 54.725 54.840 -0.201 0.000 1.034 455 L CB 0.801 42.705 42.059 -0.257 0.000 1.407 455 L HN 0.053 nan 8.230 nan 0.000 0.581 456 D N 0.731 121.059 120.400 -0.120 0.000 2.350 456 D HA -0.087 4.553 4.640 -0.000 0.000 0.216 456 D C 2.060 178.313 176.300 -0.079 0.000 0.968 456 D CA 1.057 55.004 54.000 -0.088 0.000 0.894 456 D CB 0.263 41.012 40.800 -0.084 0.000 0.909 456 D HN 0.365 nan 8.370 nan 0.000 0.520 457 G N 0.240 108.983 108.800 -0.096 0.000 2.426 457 G HA2 0.004 3.964 3.960 -0.000 0.000 0.214 457 G HA3 0.004 3.964 3.960 -0.000 0.000 0.214 457 G C 0.744 175.601 174.900 -0.071 0.000 1.156 457 G CA -0.206 44.846 45.100 -0.080 0.000 0.802 457 G HN 0.220 nan 8.290 nan 0.000 0.534 458 I N 1.566 122.082 120.570 -0.091 0.000 2.648 458 I HA 0.115 4.285 4.170 -0.000 0.000 0.284 458 I C 0.310 176.401 176.117 -0.043 0.000 1.153 458 I CA -0.222 61.037 61.300 -0.069 0.000 1.426 458 I CB 0.760 38.707 38.000 -0.089 0.000 1.381 458 I HN 0.146 nan 8.210 nan 0.000 0.571 459 E N 3.872 124.057 120.200 -0.025 0.000 2.392 459 E HA 0.065 4.415 4.350 -0.000 0.000 0.256 459 E C -0.076 176.520 176.600 -0.007 0.000 1.145 459 E CA -0.703 55.689 56.400 -0.014 0.000 0.929 459 E CB 0.962 30.657 29.700 -0.008 0.000 0.998 459 E HN 0.373 nan 8.360 nan 0.000 0.442 460 L N 2.573 123.795 121.223 -0.002 0.000 2.858 460 L HA -0.041 4.298 4.340 -0.000 0.000 0.243 460 L C 0.506 177.379 176.870 0.006 0.000 1.416 460 L CA 0.836 55.678 54.840 0.004 0.000 1.182 460 L CB -0.899 41.165 42.059 0.009 0.000 1.564 460 L HN 0.524 nan 8.230 nan 0.000 0.436 461 S N -1.461 114.243 115.700 0.007 0.000 2.699 461 S HA 0.240 4.710 4.470 -0.000 0.000 0.277 461 S C 1.250 175.860 174.600 0.016 0.000 1.062 461 S CA -0.575 57.630 58.200 0.009 0.000 1.116 461 S CB 0.066 63.270 63.200 0.006 0.000 0.977 461 S HN 0.466 nan 8.310 nan 0.000 0.498 462 R N 0.580 121.093 120.500 0.021 0.000 2.629 462 R HA 0.514 4.854 4.340 -0.000 0.000 0.408 462 R C 0.664 176.998 176.300 0.057 0.000 1.057 462 R CA 0.016 56.139 56.100 0.038 0.000 1.119 462 R CB 0.033 30.357 30.300 0.040 0.000 1.403 462 R HN 0.391 nan 8.270 nan 0.000 0.576 463 I N -0.192 120.403 120.570 0.042 0.000 2.286 463 I HA -0.168 4.002 4.170 -0.000 0.000 0.248 463 I C 2.209 178.385 176.117 0.099 0.000 1.115 463 I CA 1.717 63.048 61.300 0.051 0.000 1.392 463 I CB -0.197 37.816 38.000 0.021 0.000 1.065 463 I HN 0.271 nan 8.210 nan 0.000 0.418 464 G N -0.085 108.760 108.800 0.075 0.000 2.623 464 G HA2 -0.095 3.864 3.960 -0.000 0.000 0.214 464 G HA3 -0.095 3.864 3.960 -0.000 0.000 0.214 464 G C 1.502 176.452 174.900 0.083 0.000 1.138 464 G CA 0.037 45.182 45.100 0.075 0.000 0.794 464 G HN 0.242 nan 8.290 nan 0.000 0.535 465 E N 0.317 120.573 120.200 0.093 0.000 2.150 465 E HA -0.084 4.266 4.350 -0.000 0.000 0.193 465 E C 1.903 178.577 176.600 0.122 0.000 0.985 465 E CA 0.313 56.765 56.400 0.087 0.000 0.814 465 E CB -0.281 29.466 29.700 0.078 0.000 0.752 465 E HN 0.504 nan 8.360 nan 0.000 0.466 466 F N 2.285 122.249 119.950 0.024 0.000 2.269 466 F HA -0.137 4.390 4.527 -0.000 0.000 0.301 466 F C 2.220 178.067 175.800 0.078 0.000 1.082 466 F CA 1.465 59.489 58.000 0.039 0.000 1.360 466 F CB 0.046 39.045 39.000 -0.002 0.000 1.041 466 F HN -0.014 nan 8.300 nan 0.000 0.512 467 E N -0.170 120.030 120.200 0.001 0.000 2.150 467 E HA -0.188 4.162 4.350 -0.000 0.000 0.193 467 E C 2.002 178.557 176.600 -0.076 0.000 0.985 467 E CA 1.406 57.770 56.400 -0.060 0.000 0.814 467 E CB -0.126 29.596 29.700 0.036 0.000 0.752 467 E HN 0.515 nan 8.360 nan 0.000 0.466 468 S N -1.148 114.524 115.700 -0.046 0.000 2.486 468 S HA 0.115 4.585 4.470 -0.000 0.000 0.220 468 S C 1.965 176.535 174.600 -0.050 0.000 1.011 468 S CA 0.330 58.510 58.200 -0.033 0.000 0.921 468 S CB 0.553 63.751 63.200 -0.004 0.000 0.785 468 S HN 0.047 nan 8.310 nan 0.000 0.517 469 S N 1.315 116.972 115.700 -0.072 0.000 2.371 469 S HA 0.230 4.700 4.470 -0.000 0.000 0.221 469 S C 1.219 175.760 174.600 -0.098 0.000 1.036 469 S CA 0.511 58.681 58.200 -0.051 0.000 0.965 469 S CB -0.542 62.670 63.200 0.019 0.000 0.845 469 S HN 0.540 nan 8.310 nan 0.000 0.475 470 F N 1.946 121.602 119.950 -0.490 0.000 2.451 470 F HA 0.069 4.596 4.527 -0.000 0.000 0.299 470 F C 1.654 177.341 175.800 -0.188 0.000 1.101 470 F CA 0.322 58.036 58.000 -0.477 0.000 1.436 470 F CB -0.139 38.202 39.000 -1.099 0.000 1.074 470 F HN 0.105 nan 8.300 nan 0.000 0.553 471 L N -0.605 120.539 121.223 -0.133 0.000 2.072 471 L HA -0.109 4.231 4.340 -0.000 0.000 0.205 471 L C 2.389 179.186 176.870 -0.122 0.000 1.079 471 L CA 1.781 56.556 54.840 -0.109 0.000 0.752 471 L CB -0.937 41.089 42.059 -0.056 0.000 0.906 471 L HN -0.038 nan 8.230 nan 0.000 0.436 472 S N -1.642 114.005 115.700 -0.088 0.000 2.423 472 S HA -0.187 4.283 4.470 -0.000 0.000 0.231 472 S C 1.777 176.331 174.600 -0.076 0.000 1.014 472 S CA 0.995 59.155 58.200 -0.066 0.000 0.965 472 S CB -0.520 62.662 63.200 -0.030 0.000 0.785 472 S HN 0.590 nan 8.310 nan 0.000 0.495 473 Y N 1.946 122.089 120.300 -0.260 0.000 2.373 473 Y HA 0.097 4.647 4.550 -0.000 0.000 0.293 473 Y C 1.501 177.216 175.900 -0.309 0.000 1.129 473 Y CA 0.965 58.880 58.100 -0.308 0.000 1.226 473 Y CB -0.187 37.990 38.460 -0.471 0.000 1.000 473 Y HN 0.163 nan 8.280 nan 0.000 0.549 474 L N -0.478 120.537 121.223 -0.347 0.000 2.509 474 L HA -0.026 4.314 4.340 -0.000 0.000 0.222 474 L C 2.152 178.906 176.870 -0.193 0.000 1.123 474 L CA 0.168 54.837 54.840 -0.284 0.000 0.856 474 L CB -0.286 41.635 42.059 -0.229 0.000 0.985 474 L HN -0.063 nan 8.230 nan 0.000 0.456 475 K N 0.450 120.747 120.400 -0.170 0.000 2.025 475 K HA -0.047 4.273 4.320 -0.000 0.000 0.207 475 K C 2.159 178.684 176.600 -0.126 0.000 1.049 475 K CA 1.865 58.079 56.287 -0.122 0.000 0.933 475 K CB -0.081 32.363 32.500 -0.094 0.000 0.714 475 K HN 0.408 nan 8.250 nan 0.000 0.438 476 S N -0.716 114.894 115.700 -0.150 0.000 2.830 476 S HA 0.090 4.560 4.470 -0.000 0.000 0.249 476 S C 1.606 176.101 174.600 -0.175 0.000 1.084 476 S CA -0.161 57.959 58.200 -0.134 0.000 0.852 476 S CB -0.124 63.017 63.200 -0.098 0.000 0.802 476 S HN 0.087 nan 8.310 nan 0.000 0.481 477 N N 1.437 119.977 118.700 -0.268 0.000 2.173 477 N HA 0.097 4.837 4.740 -0.000 0.000 0.184 477 N C 0.034 175.367 175.510 -0.296 0.000 1.025 477 N CA 1.147 54.004 53.050 -0.321 0.000 0.852 477 N CB -0.158 37.994 38.487 -0.558 0.000 0.998 477 N HN 0.422 nan 8.380 nan 0.000 0.427 478 H N -0.881 117.835 119.070 -0.589 0.000 2.355 478 H HA 0.323 4.879 4.556 -0.000 0.000 0.232 478 H C -0.148 175.028 175.328 -0.255 0.000 1.422 478 H CA -0.394 55.413 56.048 -0.401 0.000 1.261 478 H CB -0.111 29.385 29.762 -0.444 0.000 1.595 478 H HN 0.076 nan 8.280 nan 0.000 0.529 479 N N 0.160 118.765 118.700 -0.159 0.000 2.336 479 N HA -0.049 4.691 4.740 -0.000 0.000 0.189 479 N C 1.273 176.720 175.510 -0.105 0.000 1.113 479 N CA 0.351 53.331 53.050 -0.117 0.000 0.858 479 N CB 0.513 38.933 38.487 -0.111 0.000 0.970 479 N HN 0.381 nan 8.380 nan 0.000 0.471 480 E N 0.171 120.287 120.200 -0.139 0.000 2.076 480 E HA -0.016 4.334 4.350 -0.000 0.000 0.190 480 E C 1.634 178.186 176.600 -0.079 0.000 0.979 480 E CA 0.590 56.917 56.400 -0.121 0.000 0.807 480 E CB -0.012 29.588 29.700 -0.167 0.000 0.761 480 E HN 0.464 nan 8.360 nan 0.000 0.454 481 L N 0.591 121.778 121.223 -0.060 0.000 2.217 481 L HA -0.068 4.272 4.340 -0.000 0.000 0.211 481 L C 2.448 179.318 176.870 -0.001 0.000 1.107 481 L CA 0.466 55.302 54.840 -0.005 0.000 0.783 481 L CB -0.339 41.761 42.059 0.068 0.000 0.919 481 L HN 0.067 nan 8.230 nan 0.000 0.442 482 L N -0.834 120.379 121.223 -0.016 0.000 2.156 482 L HA -0.111 4.229 4.340 -0.000 0.000 0.208 482 L C 2.553 179.408 176.870 -0.026 0.000 1.095 482 L CA 1.047 55.877 54.840 -0.018 0.000 0.770 482 L CB -0.762 41.277 42.059 -0.034 0.000 0.914 482 L HN 0.233 nan 8.230 nan 0.000 0.439 483 T N -0.612 113.921 114.554 -0.035 0.000 2.777 483 T HA -0.145 4.205 4.350 -0.000 0.000 0.266 483 T C 1.675 176.360 174.700 -0.024 0.000 1.040 483 T CA 1.257 63.336 62.100 -0.035 0.000 1.141 483 T CB -0.121 68.722 68.868 -0.042 0.000 0.868 483 T HN 0.412 nan 8.240 nan 0.000 0.444 484 E N 1.035 121.223 120.200 -0.021 0.000 2.017 484 E HA -0.069 4.281 4.350 -0.000 0.000 0.193 484 E C 2.234 178.830 176.600 -0.006 0.000 0.997 484 E CA 1.136 57.528 56.400 -0.014 0.000 0.804 484 E CB -0.378 29.313 29.700 -0.015 0.000 0.757 484 E HN 0.464 nan 8.360 nan 0.000 0.448 485 I N 0.913 121.481 120.570 -0.002 0.000 2.286 485 I HA -0.246 3.924 4.170 -0.000 0.000 0.248 485 I C 2.797 178.922 176.117 0.013 0.000 1.115 485 I CA 0.976 62.279 61.300 0.006 0.000 1.392 485 I CB -0.355 37.652 38.000 0.011 0.000 1.065 485 I HN 0.052 nan 8.210 nan 0.000 0.418 486 R N 1.071 121.574 120.500 0.005 0.000 2.075 486 R HA -0.148 4.191 4.340 -0.000 0.000 0.232 486 R C 2.076 178.386 176.300 0.015 0.000 1.126 486 R CA 1.389 57.494 56.100 0.008 0.000 0.963 486 R CB 0.057 30.347 30.300 -0.018 0.000 0.858 486 R HN 0.312 nan 8.270 nan 0.000 0.435 487 E N 0.460 120.663 120.200 0.006 0.000 2.122 487 E HA -0.081 4.269 4.350 -0.000 0.000 0.190 487 E C 1.854 178.464 176.600 0.016 0.000 0.977 487 E CA 0.895 57.301 56.400 0.009 0.000 0.820 487 E CB 0.070 29.770 29.700 -0.001 0.000 0.770 487 E HN 0.362 nan 8.360 nan 0.000 0.462 488 K N -0.562 119.845 120.400 0.012 0.000 2.029 488 K HA 0.022 4.342 4.320 -0.000 0.000 0.205 488 K C 1.503 178.115 176.600 0.021 0.000 1.042 488 K CA 1.043 57.338 56.287 0.014 0.000 0.949 488 K CB 0.143 32.647 32.500 0.007 0.000 0.740 488 K HN 0.250 nan 8.250 nan 0.000 0.442 489 G N 1.102 109.915 108.800 0.022 0.000 2.258 489 G HA2 -0.228 3.732 3.960 -0.000 0.000 0.233 489 G HA3 -0.228 3.732 3.960 -0.000 0.000 0.233 489 G C -0.076 174.836 174.900 0.019 0.000 1.006 489 G CA 0.158 45.275 45.100 0.027 0.000 0.620 489 G HN 0.382 nan 8.290 nan 0.000 0.511 490 E N -0.359 119.848 120.200 0.013 0.000 2.264 490 E HA 0.763 5.113 4.350 -0.000 0.000 0.260 490 E C -0.438 176.161 176.600 -0.001 0.000 0.961 490 E CA -0.944 55.460 56.400 0.007 0.000 0.834 490 E CB 1.817 31.522 29.700 0.008 0.000 1.230 490 E HN 0.189 nan 8.360 nan 0.000 0.412 491 L N 1.589 122.808 121.223 -0.008 0.000 2.322 491 L HA 0.360 4.700 4.340 -0.000 0.000 0.281 491 L C -0.151 176.708 176.870 -0.019 0.000 1.014 491 L CA -0.611 54.216 54.840 -0.022 0.000 0.815 491 L CB 1.613 43.648 42.059 -0.040 0.000 1.247 491 L HN 0.591 nan 8.230 nan 0.000 0.421 492 S N 1.611 117.299 115.700 -0.020 0.000 2.690 492 S HA 0.415 4.885 4.470 -0.000 0.000 0.291 492 S C 0.729 175.318 174.600 -0.019 0.000 1.138 492 S CA -0.976 57.216 58.200 -0.015 0.000 1.013 492 S CB 1.968 65.162 63.200 -0.010 0.000 1.053 492 S HN 0.437 nan 8.310 nan 0.000 0.539 493 K N 0.881 121.274 120.400 -0.011 0.000 2.211 493 K HA -0.141 4.179 4.320 -0.000 0.000 0.204 493 K C 1.828 178.422 176.600 -0.010 0.000 1.047 493 K CA 1.600 57.882 56.287 -0.009 0.000 0.935 493 K CB -0.506 31.993 32.500 -0.001 0.000 0.728 493 K HN 0.837 nan 8.250 nan 0.000 0.452 494 E N 0.778 120.972 120.200 -0.010 0.000 2.077 494 E HA -0.150 4.199 4.350 -0.000 0.000 0.193 494 E C 1.562 178.154 176.600 -0.013 0.000 0.989 494 E CA 0.852 57.247 56.400 -0.009 0.000 0.800 494 E CB -0.062 29.633 29.700 -0.008 0.000 0.746 494 E HN 0.077 nan 8.360 nan 0.000 0.452 495 L N -0.088 121.121 121.223 -0.023 0.000 2.567 495 L HA 0.204 4.544 4.340 -0.000 0.000 0.225 495 L C 1.558 178.391 176.870 -0.061 0.000 1.119 495 L CA 0.444 55.265 54.840 -0.032 0.000 0.871 495 L CB 0.012 42.052 42.059 -0.033 0.000 1.036 495 L HN 0.231 nan 8.230 nan 0.000 0.459 496 L N -0.481 120.707 121.223 -0.059 0.000 2.156 496 L HA 0.036 4.376 4.340 -0.000 0.000 0.208 496 L C 2.206 179.036 176.870 -0.067 0.000 1.095 496 L CA 1.919 56.707 54.840 -0.087 0.000 0.770 496 L CB -0.442 41.589 42.059 -0.046 0.000 0.914 496 L HN 0.250 nan 8.230 nan 0.000 0.439 497 A N -2.607 120.199 122.820 -0.023 0.000 2.035 497 A HA 0.012 4.331 4.320 -0.000 0.000 0.208 497 A C 2.310 179.904 177.584 0.017 0.000 1.206 497 A CA 0.827 52.869 52.037 0.008 0.000 0.773 497 A CB -0.511 18.501 19.000 0.019 0.000 0.878 497 A HN 0.348 nan 8.150 nan 0.000 0.469 498 S N -0.638 115.067 115.700 0.008 0.000 2.474 498 S HA -0.076 4.394 4.470 -0.000 0.000 0.235 498 S C 1.726 176.356 174.600 0.050 0.000 0.997 498 S CA 1.297 59.514 58.200 0.029 0.000 0.949 498 S CB -0.394 62.816 63.200 0.017 0.000 0.766 498 S HN 0.399 nan 8.310 nan 0.000 0.517 499 L N 1.271 122.499 121.223 0.008 0.000 2.209 499 L HA 0.291 4.631 4.340 -0.000 0.000 0.207 499 L C 1.883 178.782 176.870 0.049 0.000 1.094 499 L CA 1.442 56.287 54.840 0.008 0.000 0.790 499 L CB -0.297 41.676 42.059 -0.142 0.000 0.932 499 L HN 0.095 nan 8.230 nan 0.000 0.447 500 K N -0.910 119.524 120.400 0.056 0.000 2.611 500 K HA -0.018 4.302 4.320 -0.000 0.000 0.193 500 K C 1.786 178.457 176.600 0.118 0.000 1.026 500 K CA 0.779 57.141 56.287 0.125 0.000 1.063 500 K CB -0.073 32.525 32.500 0.163 0.000 0.839 500 K HN 0.509 nan 8.250 nan 0.000 0.505 501 S N -0.508 115.264 115.700 0.120 0.000 2.452 501 S HA 0.077 4.547 4.470 -0.000 0.000 0.225 501 S C 2.146 176.836 174.600 0.149 0.000 1.057 501 S CA 0.197 58.474 58.200 0.128 0.000 0.949 501 S CB 0.140 63.421 63.200 0.134 0.000 0.836 501 S HN 0.194 nan 8.310 nan 0.000 0.518 502 A N 2.020 124.961 122.820 0.202 0.000 2.167 502 A HA 0.124 4.444 4.320 -0.000 0.000 0.214 502 A C 2.292 179.984 177.584 0.180 0.000 1.151 502 A CA 1.536 53.694 52.037 0.202 0.000 0.735 502 A CB -1.158 17.998 19.000 0.260 0.000 0.802 502 A HN 0.765 nan 8.150 nan 0.000 0.467 503 T N -2.656 111.968 114.554 0.117 0.000 2.852 503 T HA -0.061 4.289 4.350 -0.000 0.000 0.256 503 T C 1.551 176.254 174.700 0.004 0.000 1.038 503 T CA 1.006 63.113 62.100 0.010 0.000 1.141 503 T CB -0.285 68.559 68.868 -0.039 0.000 0.869 503 T HN 0.346 nan 8.240 nan 0.000 0.439 504 E N 2.493 122.721 120.200 0.047 0.000 2.097 504 E HA -0.069 4.281 4.350 -0.000 0.000 0.196 504 E C 1.847 178.447 176.600 -0.001 0.000 1.000 504 E CA 1.260 57.678 56.400 0.032 0.000 0.804 504 E CB -0.701 29.029 29.700 0.049 0.000 0.740 504 E HN 0.785 nan 8.360 nan 0.000 0.454 505 S N 0.000 115.703 115.700 0.006 0.000 2.498 505 S HA 0.000 4.470 4.470 -0.000 0.000 0.327 505 S CA 0.000 58.189 58.200 -0.018 0.000 1.107 505 S CB 0.000 63.186 63.200 -0.024 0.000 0.593 505 S HN 0.000 nan 8.310 nan 0.000 0.517