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 2q7n_1_C DATA FIRST_RESID 7 DATA SEQUENCE DLKcTTNNMR VWDcTWPAPL GVSPGTVKDI cIKDRFHScH PLETTNVKIP DATA SEQUENCE ALSPGDHEVT INYLNGFQSK FTLNEKDVSL IPETPEILDL SADFFTSSLL DATA SEQUENCE LKWNDRGSAL PHPSNATWEI KVLQNPRTEP VALVLLNTML SGKDTVQHWN DATA SEQUENCE WTSDLPLQcA THSVSIRWHI DSPHFSGYKE WSDWSPLKNI SWIRNTETNV DATA SEQUENCE FPQDKVVLAG SNMTIcCMSP TKVLSGQIGN TLRPLIHLYG QTVAIHILNI DATA SEQUENCE PVSENSGTNI IFITDDDVYG TVVFAGYPPD VPQKLScETH DLKEIIcSWN DATA SEQUENCE PGRITGLVGP RNTEYTLFES ISGKSAVFHR IEGLTNETYR LGVQMHPGQE DATA SEQUENCE IHNFTLTGRN PLGQAQSAVV INVTERVAPH DPTSLKVKDI NSTVVTFSWY DATA SEQUENCE LPGNFTKINL LcQIEICKAN SKKEVRNATI RGAEDSTYHV AVDKLNPYTA DATA SEQUENCE YTFRVRcSSK TFWKWSRWSD EKRHLTTEAT 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 7 D HA 0.000 nan 4.640 nan 0.000 0.175 7 D C 0.000 176.197 176.300 -0.172 0.000 2.045 7 D CA 0.000 54.021 54.000 0.035 0.000 0.868 7 D CB 0.000 40.910 40.800 0.183 0.000 0.688 8 L N 1.397 122.478 121.223 -0.237 0.000 2.366 8 L HA 0.627 4.967 4.340 0.001 0.000 0.266 8 L C -0.140 176.657 176.870 -0.122 0.000 1.010 8 L CA -0.429 54.239 54.840 -0.287 0.000 0.879 8 L CB 0.781 42.586 42.059 -0.423 0.000 1.228 8 L HN 0.050 nan 8.230 nan 0.000 0.439 9 K N 2.682 123.025 120.400 -0.095 0.000 2.205 9 K HA 0.595 4.916 4.320 0.001 0.000 0.279 9 K C -0.759 175.780 176.600 -0.101 0.000 1.027 9 K CA -0.288 55.939 56.287 -0.099 0.000 0.932 9 K CB 0.962 33.403 32.500 -0.099 0.000 1.032 9 K HN 0.667 nan 8.250 nan 0.000 0.466 10 c N 1.343 119.862 118.600 -0.136 0.000 2.802 10 c HA 0.925 5.495 4.570 0.001 0.000 0.307 10 c C 0.132 174.116 174.090 -0.178 0.000 1.222 10 c CA -0.247 55.993 56.329 -0.149 0.000 1.580 10 c CB 1.839 44.246 42.510 -0.172 0.000 2.119 10 c HN 1.040 nan 8.230 nan 0.000 0.479 11 T N -0.875 113.595 114.554 -0.139 0.000 2.916 11 T HA 0.841 5.192 4.350 0.001 0.000 0.305 11 T C -0.909 173.735 174.700 -0.094 0.000 1.119 11 T CA -0.432 61.591 62.100 -0.128 0.000 1.008 11 T CB 1.691 70.494 68.868 -0.109 0.000 1.129 11 T HN 0.891 nan 8.240 nan 0.000 0.480 12 T N -0.727 113.753 114.554 -0.123 0.000 2.991 12 T HA 0.413 4.764 4.350 0.001 0.000 0.303 12 T C 0.576 175.188 174.700 -0.147 0.000 1.015 12 T CA -0.888 61.164 62.100 -0.080 0.000 1.007 12 T CB 1.264 70.107 68.868 -0.042 0.000 1.034 12 T HN 0.753 nan 8.240 nan 0.000 0.446 13 N N 2.361 121.004 118.700 -0.096 0.000 2.457 13 N HA -0.017 4.723 4.740 0.001 0.000 0.180 13 N C 0.638 176.071 175.510 -0.127 0.000 1.050 13 N CA 0.396 53.379 53.050 -0.112 0.000 0.906 13 N CB 0.048 38.502 38.487 -0.055 0.000 0.968 13 N HN 0.701 nan 8.380 nan 0.000 0.445 14 N N -0.302 118.332 118.700 -0.110 0.000 3.566 14 N HA 0.231 4.971 4.740 0.001 0.000 0.354 14 N C -0.200 175.234 175.510 -0.126 0.000 1.632 14 N CA -0.645 52.337 53.050 -0.114 0.000 0.690 14 N CB 0.314 38.770 38.487 -0.051 0.000 2.273 14 N HN 0.024 nan 8.380 nan 0.000 0.643 15 M N -0.533 119.028 119.600 -0.066 0.000 2.347 15 M HA 0.359 4.840 4.480 0.001 0.000 0.302 15 M C 1.121 177.479 176.300 0.097 0.000 1.051 15 M CA -0.122 55.192 55.300 0.022 0.000 0.988 15 M CB 0.807 33.430 32.600 0.038 0.000 1.475 15 M HN 0.332 nan 8.290 nan 0.000 0.530 16 R N -0.022 120.490 120.500 0.021 0.000 2.087 16 R HA 0.210 4.550 4.340 0.001 0.000 0.216 16 R C 0.354 176.612 176.300 -0.069 0.000 1.114 16 R CA 0.728 56.806 56.100 -0.037 0.000 1.002 16 R CB 0.464 30.732 30.300 -0.054 0.000 0.903 16 R HN 0.076 nan 8.270 nan 0.000 0.445 17 V N 1.470 121.389 119.914 0.009 0.000 2.495 17 V HA 0.214 4.334 4.120 0.001 0.000 0.298 17 V C -0.912 175.311 176.094 0.214 0.000 1.031 17 V CA -0.836 61.466 62.300 0.003 0.000 0.871 17 V CB 1.797 33.620 31.823 0.000 0.000 0.988 17 V HN 0.165 nan 8.190 nan 0.000 0.432 18 W N 2.018 123.300 121.300 -0.031 0.000 2.376 18 W HA 0.469 5.130 4.660 0.001 0.000 0.322 18 W C 0.072 176.570 176.519 -0.035 0.000 1.160 18 W CA -0.992 56.340 57.345 -0.022 0.000 1.218 18 W CB 0.584 30.043 29.460 -0.002 0.000 1.205 18 W HN 0.458 nan 8.180 nan 0.000 0.559 19 D N 2.169 122.672 120.400 0.172 0.000 2.461 19 D HA 0.276 4.917 4.640 0.001 0.000 0.240 19 D C -1.257 175.057 176.300 0.024 0.000 1.094 19 D CA -0.167 53.870 54.000 0.061 0.000 0.868 19 D CB 0.495 41.301 40.800 0.010 0.000 1.062 19 D HN 0.109 nan 8.370 nan 0.000 0.530 20 c N 2.617 121.241 118.600 0.039 0.000 2.281 20 c HA 0.631 5.202 4.570 0.001 0.000 0.325 20 c C 0.460 174.518 174.090 -0.053 0.000 1.282 20 c CA -0.591 55.759 56.329 0.035 0.000 1.640 20 c CB 0.914 43.510 42.510 0.143 0.000 2.288 20 c HN 0.549 nan 8.230 nan 0.000 0.507 21 T N 3.836 118.329 114.554 -0.101 0.000 2.792 21 T HA 0.652 5.002 4.350 0.001 0.000 0.280 21 T C -0.890 173.737 174.700 -0.121 0.000 0.990 21 T CA -0.304 61.653 62.100 -0.238 0.000 0.960 21 T CB 0.376 69.103 68.868 -0.233 0.000 0.939 21 T HN 0.746 nan 8.240 nan 0.000 0.439 22 W N 4.844 126.072 121.300 -0.120 0.000 2.639 22 W HA 0.790 5.450 4.660 0.001 0.000 0.347 22 W C -2.969 173.518 176.519 -0.053 0.000 1.067 22 W CA -2.876 54.364 57.345 -0.175 0.000 1.218 22 W CB -0.592 28.686 29.460 -0.303 0.000 1.393 22 W HN 0.396 nan 8.180 nan 0.000 0.557 23 P HA 0.308 nan 4.420 nan 0.000 0.278 23 P C 0.007 177.535 177.300 0.380 0.000 1.238 23 P CA -0.221 62.978 63.100 0.166 0.000 0.794 23 P CB 0.769 32.546 31.700 0.128 0.000 0.955 24 A N 4.534 127.519 122.820 0.275 0.000 2.552 24 A HA 0.229 4.549 4.320 0.001 0.000 0.241 24 A C -1.626 176.140 177.584 0.304 0.000 1.103 24 A CA -0.457 51.778 52.037 0.331 0.000 0.789 24 A CB -1.716 17.390 19.000 0.176 0.000 1.050 24 A HN 0.513 nan 8.150 nan 0.000 0.515 25 P HA 0.321 nan 4.420 nan 0.000 0.272 25 P C 0.153 177.520 177.300 0.111 0.000 1.230 25 P CA 0.035 63.254 63.100 0.198 0.000 0.788 25 P CB 0.165 31.884 31.700 0.032 0.000 0.949 26 L N 0.761 122.051 121.223 0.111 0.000 2.843 26 L HA 0.362 4.702 4.340 0.001 0.000 0.296 26 L C 1.115 177.978 176.870 -0.011 0.000 1.228 26 L CA 0.916 55.785 54.840 0.048 0.000 1.188 26 L CB -2.092 39.992 42.059 0.042 0.000 1.475 26 L HN 0.913 nan 8.230 nan 0.000 0.433 27 G N 1.096 109.898 108.800 0.005 0.000 2.587 27 G HA2 0.234 4.195 3.960 0.001 0.000 0.686 27 G HA3 0.234 4.195 3.960 0.001 0.000 0.686 27 G C -0.506 174.383 174.900 -0.019 0.000 1.236 27 G CA -0.513 44.578 45.100 -0.016 0.000 0.820 27 G HN 1.631 nan 8.290 nan 0.000 0.645 28 V N 0.941 120.847 119.914 -0.014 0.000 2.752 28 V HA 0.399 4.519 4.120 0.001 0.000 0.306 28 V C 1.076 177.157 176.094 -0.022 0.000 1.099 28 V CA 1.428 63.725 62.300 -0.006 0.000 1.240 28 V CB 0.843 32.665 31.823 -0.002 0.000 0.887 28 V HN 2.239 nan 8.190 nan 0.000 0.499 29 S N 2.949 118.649 115.700 0.000 0.000 2.742 29 S HA 0.218 4.689 4.470 0.001 0.000 0.159 29 S C -2.165 172.476 174.600 0.069 0.000 0.676 29 S CA -0.654 57.553 58.200 0.012 0.000 0.897 29 S CB 0.885 64.069 63.200 -0.026 0.000 1.530 29 S HN 0.541 nan 8.310 nan 0.000 0.465 30 P HA 0.243 nan 4.420 nan 0.000 0.224 30 P C 1.171 178.550 177.300 0.131 0.000 1.157 30 P CA 1.156 64.314 63.100 0.097 0.000 0.799 30 P CB -0.064 31.667 31.700 0.052 0.000 0.809 31 G N -0.860 108.014 108.800 0.123 0.000 4.100 31 G HA2 0.085 4.046 3.960 0.001 0.000 0.294 31 G HA3 0.085 4.046 3.960 0.001 0.000 0.294 31 G C 0.711 175.707 174.900 0.158 0.000 1.040 31 G CA 0.125 45.303 45.100 0.130 0.000 0.829 31 G HN 0.254 nan 8.290 nan 0.000 0.505 32 T N -1.366 113.314 114.554 0.211 0.000 3.148 32 T HA 0.184 4.535 4.350 0.001 0.000 0.253 32 T C 0.916 175.808 174.700 0.320 0.000 1.134 32 T CA -0.079 62.156 62.100 0.225 0.000 1.051 32 T CB 0.035 69.009 68.868 0.177 0.000 0.959 32 T HN -0.025 nan 8.240 nan 0.000 0.525 33 V N 0.613 120.737 119.914 0.350 0.000 2.775 33 V HA 0.666 4.787 4.120 0.001 0.000 0.299 33 V C 1.279 177.445 176.094 0.121 0.000 1.062 33 V CA 0.000 62.450 62.300 0.250 0.000 1.063 33 V CB 0.505 32.460 31.823 0.221 0.000 0.994 33 V HN 0.533 nan 8.190 nan 0.000 0.483 34 K N 2.208 122.629 120.400 0.035 0.000 2.344 34 K HA 0.282 4.603 4.320 0.001 0.000 0.229 34 K C 0.353 176.953 176.600 -0.001 0.000 1.112 34 K CA 0.586 56.890 56.287 0.028 0.000 0.850 34 K CB -0.434 32.083 32.500 0.027 0.000 1.311 34 K HN 0.763 nan 8.250 nan 0.000 0.448 35 D N -0.739 119.626 120.400 -0.059 0.000 2.181 35 D HA 0.560 5.201 4.640 0.001 0.000 0.248 35 D C -1.099 175.146 176.300 -0.093 0.000 1.020 35 D CA -0.263 53.707 54.000 -0.050 0.000 0.891 35 D CB 1.934 42.700 40.800 -0.058 0.000 1.187 35 D HN 0.376 nan 8.370 nan 0.000 0.443 36 I N 0.948 121.508 120.570 -0.016 0.000 2.498 36 I HA 0.443 4.613 4.170 0.001 0.000 0.290 36 I C -1.726 174.411 176.117 0.034 0.000 1.032 36 I CA -0.489 60.788 61.300 -0.038 0.000 1.073 36 I CB 1.180 39.200 38.000 0.033 0.000 1.251 36 I HN 0.426 nan 8.210 nan 0.000 0.426 37 c N 8.019 126.631 118.600 0.019 0.000 2.364 37 c HA 0.664 5.235 4.570 0.001 0.000 0.324 37 c C 0.004 174.166 174.090 0.120 0.000 1.234 37 c CA -0.874 55.506 56.329 0.085 0.000 1.417 37 c CB 0.236 42.782 42.510 0.061 0.000 2.101 37 c HN 0.701 nan 8.230 nan 0.000 0.466 38 I N 1.055 121.715 120.570 0.150 0.000 2.577 38 I HA 0.681 4.852 4.170 0.001 0.000 0.305 38 I C 0.393 176.541 176.117 0.051 0.000 0.986 38 I CA -0.494 60.864 61.300 0.097 0.000 1.189 38 I CB 0.963 39.000 38.000 0.061 0.000 1.355 38 I HN 0.425 nan 8.210 nan 0.000 0.476 39 K N 2.092 122.472 120.400 -0.033 0.000 2.849 39 K HA 0.201 4.522 4.320 0.001 0.000 0.175 39 K C 0.151 176.654 176.600 -0.161 0.000 1.113 39 K CA 0.378 56.569 56.287 -0.160 0.000 1.286 39 K CB -0.112 32.397 32.500 0.015 0.000 1.776 39 K HN 0.764 nan 8.250 nan 0.000 0.472 40 D N 0.221 120.585 120.400 -0.060 0.000 2.354 40 D HA 0.070 4.710 4.640 0.001 0.000 0.238 40 D C 0.630 176.816 176.300 -0.190 0.000 1.250 40 D CA 0.539 54.495 54.000 -0.074 0.000 0.911 40 D CB 0.622 41.463 40.800 0.067 0.000 1.163 40 D HN 0.342 nan 8.370 nan 0.000 0.456 41 R N -1.554 118.802 120.500 -0.240 0.000 1.181 41 R HA -0.206 4.135 4.340 0.001 0.000 0.009 41 R C -0.068 175.958 176.300 -0.456 0.000 0.962 41 R CA 1.642 57.447 56.100 -0.492 0.000 1.987 41 R CB -1.598 28.387 30.300 -0.526 0.000 0.115 41 R HN 0.580 nan 8.270 nan 0.000 0.733 42 F N -2.289 117.615 119.950 -0.077 0.000 3.032 42 F HA 0.452 4.980 4.527 0.001 0.000 0.331 42 F C -0.556 175.203 175.800 -0.068 0.000 1.125 42 F CA -1.180 56.783 58.000 -0.061 0.000 0.873 42 F CB -0.031 38.958 39.000 -0.017 0.000 1.374 42 F HN 0.193 nan 8.300 nan 0.000 0.452 43 H N 0.916 120.125 119.070 0.231 0.000 2.955 43 H HA 0.627 5.184 4.556 0.001 0.000 0.290 43 H C -0.568 174.761 175.328 0.002 0.000 1.047 43 H CA 1.012 57.119 56.048 0.098 0.000 1.484 43 H CB 0.646 30.427 29.762 0.033 0.000 1.501 43 H HN 0.746 nan 8.280 nan 0.000 0.521 44 S N 2.812 118.628 115.700 0.194 0.000 2.566 44 S HA 0.382 4.852 4.470 0.001 0.000 0.273 44 S C -1.129 173.506 174.600 0.058 0.000 1.157 44 S CA -0.902 57.321 58.200 0.039 0.000 0.938 44 S CB 0.707 63.931 63.200 0.041 0.000 1.087 44 S HN 0.534 nan 8.310 nan 0.000 0.474 45 c N 3.111 121.682 118.600 -0.049 0.000 2.321 45 c HA 0.521 5.092 4.570 0.001 0.000 0.323 45 c C -0.039 174.013 174.090 -0.063 0.000 1.191 45 c CA -0.518 55.806 56.329 -0.008 0.000 1.455 45 c CB -1.172 41.331 42.510 -0.012 0.000 2.083 45 c HN 0.987 nan 8.230 nan 0.000 0.442 46 H N 3.927 123.014 119.070 0.029 0.000 2.610 46 H HA 0.345 4.901 4.556 0.001 0.000 0.336 46 H C -1.893 173.454 175.328 0.032 0.000 1.087 46 H CA -0.322 55.746 56.048 0.033 0.000 1.405 46 H CB 0.646 30.438 29.762 0.050 0.000 1.460 46 H HN 0.470 nan 8.280 nan 0.000 0.538 47 P HA 0.207 nan 4.420 nan 0.000 0.278 47 P C -0.930 176.443 177.300 0.122 0.000 1.258 47 P CA -0.474 62.683 63.100 0.095 0.000 0.811 47 P CB 1.461 33.198 31.700 0.061 0.000 1.063 48 L N -0.714 120.573 121.223 0.106 0.000 2.371 48 L HA 0.593 4.934 4.340 0.001 0.000 0.262 48 L C 1.579 178.508 176.870 0.098 0.000 1.006 48 L CA -0.519 54.395 54.840 0.123 0.000 0.818 48 L CB 1.452 43.622 42.059 0.185 0.000 1.354 48 L HN 0.384 nan 8.230 nan 0.000 0.415 49 E N 0.304 120.553 120.200 0.081 0.000 2.290 49 E HA 0.219 4.570 4.350 0.001 0.000 0.199 49 E C 0.816 177.456 176.600 0.067 0.000 0.912 49 E CA 1.153 57.591 56.400 0.064 0.000 0.924 49 E CB 0.480 30.204 29.700 0.040 0.000 0.901 49 E HN 0.811 nan 8.360 nan 0.000 0.487 50 T N -3.728 110.855 114.554 0.048 0.000 2.544 50 T HA 0.303 4.653 4.350 0.001 0.000 0.244 50 T C 1.311 176.007 174.700 -0.006 0.000 0.829 50 T CA 0.807 62.924 62.100 0.028 0.000 1.210 50 T CB 0.701 69.546 68.868 -0.039 0.000 1.487 50 T HN 0.335 nan 8.240 nan 0.000 0.488 51 T N -0.625 113.791 114.554 -0.231 0.000 3.163 51 T HA 0.308 4.659 4.350 0.001 0.000 0.252 51 T C 0.226 173.975 174.700 -1.585 0.000 1.056 51 T CA -0.105 61.532 62.100 -0.771 0.000 0.947 51 T CB -1.346 67.137 68.868 -0.641 0.000 1.016 51 T HN 0.907 nan 8.240 nan 0.000 0.554 52 N N -0.461 117.759 118.700 -0.799 0.000 2.284 52 N HA 0.605 5.345 4.740 0.001 0.000 0.289 52 N C -1.730 173.647 175.510 -0.223 0.000 1.179 52 N CA -0.981 51.713 53.050 -0.594 0.000 0.774 52 N CB 2.413 40.673 38.487 -0.378 0.000 1.548 52 N HN 0.038 nan 8.380 nan 0.000 0.473 53 V N 0.278 120.140 119.914 -0.088 0.000 3.049 53 V HA 0.576 4.697 4.120 0.001 0.000 0.309 53 V C -1.413 174.681 176.094 0.001 0.000 1.148 53 V CA -0.848 61.463 62.300 0.019 0.000 0.990 53 V CB 2.165 34.082 31.823 0.155 0.000 1.039 53 V HN 0.802 nan 8.190 nan 0.000 0.430 54 K N 5.348 125.725 120.400 -0.038 0.000 2.354 54 K HA 0.607 4.927 4.320 0.001 0.000 0.257 54 K C -0.838 175.683 176.600 -0.132 0.000 1.062 54 K CA -0.092 56.166 56.287 -0.049 0.000 0.971 54 K CB 0.809 33.285 32.500 -0.040 0.000 1.305 54 K HN 0.588 nan 8.250 nan 0.000 0.449 55 I N 4.498 125.027 120.570 -0.068 0.000 2.331 55 I HA 0.325 4.495 4.170 0.001 0.000 0.292 55 I C -1.893 174.131 176.117 -0.155 0.000 0.998 55 I CA -2.629 58.597 61.300 -0.124 0.000 1.267 55 I CB 0.881 38.859 38.000 -0.037 0.000 1.386 55 I HN 0.338 nan 8.210 nan 0.000 0.476 56 P HA 0.011 nan 4.420 nan 0.000 0.270 56 P C -0.270 176.686 177.300 -0.572 0.000 1.227 56 P CA -0.255 62.673 63.100 -0.285 0.000 0.788 56 P CB 0.498 32.082 31.700 -0.193 0.000 0.926 57 A N 2.221 124.590 122.820 -0.751 0.000 2.483 57 A HA 0.281 4.602 4.320 0.001 0.000 0.238 57 A C 0.455 177.420 177.584 -1.031 0.000 1.070 57 A CA -0.137 51.090 52.037 -1.350 0.000 0.770 57 A CB -0.577 17.983 19.000 -0.734 0.000 1.008 57 A HN 0.491 nan 8.150 nan 0.000 0.497 58 L N 1.171 121.592 121.223 -1.337 0.000 2.416 58 L HA 0.320 4.660 4.340 0.001 0.000 0.262 58 L C 0.952 177.698 176.870 -0.207 0.000 1.093 58 L CA -0.642 53.820 54.840 -0.629 0.000 0.801 58 L CB 1.218 42.971 42.059 -0.510 0.000 1.191 58 L HN 0.763 nan 8.230 nan 0.000 0.459 59 S N 0.733 116.375 115.700 -0.097 0.000 2.572 59 S HA 0.122 4.593 4.470 0.001 0.000 0.267 59 S C -2.311 172.464 174.600 0.292 0.000 1.361 59 S CA -0.633 57.636 58.200 0.114 0.000 1.009 59 S CB -0.029 63.272 63.200 0.169 0.000 0.888 59 S HN 0.379 nan 8.310 nan 0.000 0.553 60 P HA 0.549 nan 4.420 nan 0.000 0.287 60 P C 0.200 177.537 177.300 0.061 0.000 1.281 60 P CA 0.218 63.400 63.100 0.136 0.000 0.781 60 P CB 0.682 32.420 31.700 0.063 0.000 0.903 61 G N 2.626 111.440 108.800 0.023 0.000 2.347 61 G HA2 -0.001 3.960 3.960 0.001 0.000 0.341 61 G HA3 -0.001 3.960 3.960 0.001 0.000 0.341 61 G C -1.894 172.840 174.900 -0.277 0.000 1.287 61 G CA -0.906 44.111 45.100 -0.138 0.000 0.984 61 G HN 0.384 nan 8.290 nan 0.000 0.526 62 D N 1.127 121.346 120.400 -0.303 0.000 2.295 62 D HA 0.551 5.192 4.640 0.001 0.000 0.248 62 D C -0.067 176.012 176.300 -0.368 0.000 1.154 62 D CA 0.178 54.047 54.000 -0.218 0.000 0.857 62 D CB 0.482 41.221 40.800 -0.102 0.000 1.117 62 D HN 0.397 nan 8.370 nan 0.000 0.468 63 H N 1.427 120.530 119.070 0.054 0.000 2.529 63 H HA 0.200 4.756 4.556 0.001 0.000 0.348 63 H C -0.287 175.074 175.328 0.054 0.000 1.079 63 H CA -0.580 55.496 56.048 0.046 0.000 1.198 63 H CB 1.438 31.235 29.762 0.057 0.000 1.521 63 H HN 0.454 nan 8.280 nan 0.000 0.514 64 E N 2.963 123.252 120.200 0.148 0.000 2.415 64 E HA 0.127 4.478 4.350 0.001 0.000 0.260 64 E C -0.733 175.938 176.600 0.119 0.000 1.016 64 E CA -0.177 56.287 56.400 0.106 0.000 0.924 64 E CB 0.424 30.171 29.700 0.077 0.000 0.961 64 E HN 0.283 nan 8.360 nan 0.000 0.459 65 V N 4.254 124.234 119.914 0.110 0.000 2.326 65 V HA 0.202 4.323 4.120 0.001 0.000 0.281 65 V C 0.345 176.460 176.094 0.036 0.000 1.015 65 V CA -0.982 61.375 62.300 0.095 0.000 0.823 65 V CB 0.980 32.883 31.823 0.132 0.000 1.009 65 V HN 0.628 nan 8.190 nan 0.000 0.436 66 T N 3.955 118.504 114.554 -0.008 0.000 2.732 66 T HA 0.740 5.090 4.350 0.001 0.000 0.287 66 T C -0.211 174.389 174.700 -0.167 0.000 0.993 66 T CA -0.317 61.727 62.100 -0.095 0.000 0.966 66 T CB 1.624 70.446 68.868 -0.077 0.000 1.047 66 T HN 0.593 nan 8.240 nan 0.000 0.527 67 I N 0.789 121.200 120.570 -0.266 0.000 2.715 67 I HA 0.290 4.460 4.170 0.001 0.000 0.288 67 I C -1.783 174.067 176.117 -0.445 0.000 1.371 67 I CA -0.678 60.380 61.300 -0.402 0.000 1.056 67 I CB 1.659 39.319 38.000 -0.566 0.000 1.339 67 I HN 0.489 nan 8.210 nan 0.000 0.425 68 N N 5.925 124.367 118.700 -0.429 0.000 2.269 68 N HA 0.528 5.269 4.740 0.001 0.000 0.304 68 N C -1.799 173.502 175.510 -0.348 0.000 1.072 68 N CA -0.330 52.548 53.050 -0.288 0.000 0.802 68 N CB 2.102 40.513 38.487 -0.126 0.000 1.348 68 N HN 0.340 nan 8.380 nan 0.000 0.484 69 Y N 0.309 120.642 120.300 0.055 0.000 2.562 69 Y HA 0.332 4.882 4.550 0.001 0.000 0.343 69 Y C 1.535 177.487 175.900 0.087 0.000 1.025 69 Y CA -0.844 57.318 58.100 0.102 0.000 1.082 69 Y CB 1.540 40.096 38.460 0.161 0.000 1.264 69 Y HN 0.339 nan 8.280 nan 0.000 0.478 70 L N 1.167 122.534 121.223 0.240 0.000 2.189 70 L HA -0.249 4.091 4.340 0.001 0.000 0.214 70 L C 1.377 178.336 176.870 0.149 0.000 1.097 70 L CA 1.432 56.363 54.840 0.151 0.000 0.764 70 L CB -0.135 41.995 42.059 0.118 0.000 0.900 70 L HN 0.759 nan 8.230 nan 0.000 0.436 71 N N 0.630 119.448 118.700 0.196 0.000 2.417 71 N HA -0.156 4.585 4.740 0.001 0.000 0.187 71 N C 1.524 177.131 175.510 0.163 0.000 1.027 71 N CA 1.318 54.458 53.050 0.150 0.000 0.891 71 N CB -0.146 38.419 38.487 0.130 0.000 0.956 71 N HN 0.643 nan 8.380 nan 0.000 0.442 72 G N -0.301 108.618 108.800 0.198 0.000 2.234 72 G HA2 -0.308 3.652 3.960 0.001 0.000 0.260 72 G HA3 -0.308 3.652 3.960 0.001 0.000 0.260 72 G C 0.254 175.310 174.900 0.260 0.000 0.987 72 G CA 0.192 45.395 45.100 0.171 0.000 0.625 72 G HN 0.339 nan 8.290 nan 0.000 0.532 73 F N 1.827 121.856 119.950 0.132 0.000 2.586 73 F HA 0.525 5.053 4.527 0.001 0.000 0.344 73 F C 0.597 176.534 175.800 0.228 0.000 1.188 73 F CA 0.150 58.242 58.000 0.153 0.000 1.359 73 F CB 0.844 39.907 39.000 0.105 0.000 1.129 73 F HN 0.393 nan 8.300 nan 0.000 0.609 74 Q N 3.850 123.388 119.800 -0.438 0.000 2.487 74 Q HA 0.261 4.601 4.340 0.001 0.000 0.234 74 Q C -1.849 173.698 176.000 -0.755 0.000 0.828 74 Q CA -0.328 55.225 55.803 -0.416 0.000 0.907 74 Q CB 1.364 29.986 28.738 -0.194 0.000 1.462 74 Q HN 0.688 nan 8.270 nan 0.000 0.442 75 S N 2.410 117.673 115.700 -0.728 0.000 2.608 75 S HA 0.562 5.033 4.470 0.001 0.000 0.291 75 S C -0.921 173.296 174.600 -0.639 0.000 1.146 75 S CA -0.541 57.216 58.200 -0.738 0.000 1.043 75 S CB 0.924 63.666 63.200 -0.763 0.000 1.037 75 S HN 0.457 nan 8.310 nan 0.000 0.520 76 K N 3.231 123.249 120.400 -0.637 0.000 2.473 76 K HA 0.324 4.645 4.320 0.001 0.000 0.246 76 K C -1.261 175.070 176.600 -0.448 0.000 1.011 76 K CA -0.058 55.977 56.287 -0.419 0.000 0.984 76 K CB 0.595 32.952 32.500 -0.239 0.000 1.250 76 K HN 0.479 nan 8.250 nan 0.000 0.454 77 F N 0.365 120.259 119.950 -0.093 0.000 2.410 77 F HA 0.361 4.888 4.527 0.001 0.000 0.324 77 F C 1.083 176.874 175.800 -0.015 0.000 1.093 77 F CA -0.528 57.441 58.000 -0.052 0.000 1.028 77 F CB 1.468 40.431 39.000 -0.061 0.000 1.309 77 F HN 0.235 nan 8.300 nan 0.000 0.499 78 T N 0.601 115.305 114.554 0.249 0.000 3.187 78 T HA 0.511 4.862 4.350 0.001 0.000 0.328 78 T C -1.045 173.736 174.700 0.136 0.000 0.951 78 T CA -0.775 61.415 62.100 0.151 0.000 1.049 78 T CB 0.398 69.318 68.868 0.087 0.000 1.015 78 T HN 0.693 nan 8.240 nan 0.000 0.461 79 L N 1.254 122.571 121.223 0.158 0.000 2.331 79 L HA 0.811 5.152 4.340 0.001 0.000 0.275 79 L C -0.589 176.393 176.870 0.186 0.000 1.022 79 L CA -0.684 54.236 54.840 0.133 0.000 0.812 79 L CB 1.875 44.020 42.059 0.143 0.000 1.257 79 L HN 0.766 nan 8.230 nan 0.000 0.435 80 N N 1.225 119.984 118.700 0.099 0.000 2.308 80 N HA 0.078 4.819 4.740 0.001 0.000 0.283 80 N C 0.196 175.702 175.510 -0.006 0.000 1.105 80 N CA -0.477 52.648 53.050 0.124 0.000 0.840 80 N CB 2.206 40.717 38.487 0.039 0.000 1.633 80 N HN 1.011 nan 8.380 nan 0.000 0.476 81 E N 2.000 122.259 120.200 0.098 0.000 2.236 81 E HA -0.301 4.050 4.350 0.001 0.000 0.205 81 E C 1.346 177.785 176.600 -0.269 0.000 1.028 81 E CA 1.562 57.907 56.400 -0.092 0.000 0.827 81 E CB 0.158 29.953 29.700 0.158 0.000 0.735 81 E HN 0.541 nan 8.360 nan 0.000 0.470 82 K N 0.003 120.299 120.400 -0.173 0.000 2.147 82 K HA -0.166 4.155 4.320 0.001 0.000 0.205 82 K C 1.000 177.507 176.600 -0.155 0.000 1.049 82 K CA 1.603 57.782 56.287 -0.180 0.000 0.936 82 K CB 0.125 32.558 32.500 -0.112 0.000 0.722 82 K HN 0.118 nan 8.250 nan 0.000 0.446 83 D N 0.344 120.653 120.400 -0.151 0.000 2.348 83 D HA -0.001 4.639 4.640 0.001 0.000 0.211 83 D C 0.087 176.277 176.300 -0.182 0.000 0.998 83 D CA 0.207 54.130 54.000 -0.129 0.000 0.873 83 D CB 0.352 41.096 40.800 -0.093 0.000 0.925 83 D HN -0.049 nan 8.370 nan 0.000 0.524 84 V N 0.898 120.637 119.914 -0.292 0.000 2.649 84 V HA 0.324 4.445 4.120 0.001 0.000 0.292 84 V C 0.654 176.721 176.094 -0.045 0.000 1.055 84 V CA -0.600 61.502 62.300 -0.331 0.000 1.023 84 V CB 1.522 32.890 31.823 -0.758 0.000 0.992 84 V HN -0.085 nan 8.190 nan 0.000 0.480 85 S N 3.672 119.375 115.700 0.004 0.000 2.621 85 S HA 0.750 5.221 4.470 0.001 0.000 0.302 85 S C -0.699 173.919 174.600 0.030 0.000 1.093 85 S CA -0.675 57.614 58.200 0.150 0.000 1.017 85 S CB 1.915 65.086 63.200 -0.050 0.000 1.077 85 S HN 0.629 nan 8.310 nan 0.000 0.517 86 L N 2.164 123.346 121.223 -0.067 0.000 2.301 86 L HA 0.577 4.917 4.340 0.001 0.000 0.278 86 L C -1.364 175.318 176.870 -0.313 0.000 1.022 86 L CA -0.432 54.125 54.840 -0.471 0.000 0.854 86 L CB -0.225 41.266 42.059 -0.946 0.000 1.226 86 L HN 0.639 nan 8.230 nan 0.000 0.429 87 I N 7.327 127.728 120.570 -0.281 0.000 2.315 87 I HA 0.383 4.554 4.170 0.001 0.000 0.291 87 I C -2.012 173.904 176.117 -0.336 0.000 1.006 87 I CA -1.824 59.323 61.300 -0.256 0.000 1.265 87 I CB 1.511 39.407 38.000 -0.174 0.000 1.387 87 I HN 0.499 nan 8.210 nan 0.000 0.475 88 P HA 0.076 nan 4.420 nan 0.000 0.280 88 P C -0.585 176.541 177.300 -0.290 0.000 1.244 88 P CA -0.560 62.167 63.100 -0.622 0.000 0.784 88 P CB 0.483 31.321 31.700 -1.437 0.000 0.913 89 E N 1.818 121.952 120.200 -0.109 0.000 3.624 89 E HA -0.129 4.222 4.350 0.001 0.000 0.247 89 E C -0.436 176.289 176.600 0.208 0.000 0.869 89 E CA 0.534 56.987 56.400 0.089 0.000 0.946 89 E CB -0.439 29.385 29.700 0.205 0.000 0.880 89 E HN 0.356 nan 8.360 nan 0.000 0.578 90 T N 8.145 122.776 114.554 0.128 0.000 2.736 90 T HA 0.067 4.418 4.350 0.001 0.000 0.275 90 T C -1.949 172.880 174.700 0.214 0.000 0.962 90 T CA -0.927 61.273 62.100 0.166 0.000 1.214 90 T CB 0.069 68.996 68.868 0.097 0.000 0.904 90 T HN 0.393 nan 8.240 nan 0.000 0.529 91 P HA 0.275 nan 4.420 nan 0.000 0.276 91 P C -0.380 177.017 177.300 0.162 0.000 1.244 91 P CA -0.577 62.636 63.100 0.188 0.000 0.801 91 P CB 1.072 32.807 31.700 0.058 0.000 1.006 92 E N 1.133 121.416 120.200 0.138 0.000 2.171 92 E HA 0.357 4.707 4.350 0.001 0.000 0.271 92 E C -0.595 176.100 176.600 0.158 0.000 0.916 92 E CA -0.887 55.592 56.400 0.132 0.000 0.774 92 E CB 1.032 30.793 29.700 0.101 0.000 1.128 92 E HN 0.365 nan 8.360 nan 0.000 0.403 93 I N 6.164 126.825 120.570 0.152 0.000 2.379 93 I HA -0.067 4.103 4.170 0.001 0.000 0.290 93 I C 1.314 177.487 176.117 0.094 0.000 1.063 93 I CA -0.379 61.012 61.300 0.151 0.000 1.351 93 I CB 0.745 38.827 38.000 0.137 0.000 1.410 93 I HN 0.648 nan 8.210 nan 0.000 0.505 94 L N 4.788 126.056 121.223 0.075 0.000 1.988 94 L HA -0.008 4.332 4.340 0.001 0.000 0.207 94 L C 0.626 177.508 176.870 0.021 0.000 1.071 94 L CA 2.005 56.868 54.840 0.038 0.000 0.744 94 L CB -0.691 41.377 42.059 0.016 0.000 0.893 94 L HN 0.666 nan 8.230 nan 0.000 0.433 95 D N -2.543 117.859 120.400 0.004 0.000 2.622 95 D HA 0.460 5.101 4.640 0.001 0.000 0.255 95 D C -1.632 174.663 176.300 -0.009 0.000 1.246 95 D CA -0.430 53.569 54.000 -0.001 0.000 0.795 95 D CB 1.834 42.628 40.800 -0.010 0.000 1.369 95 D HN -0.147 nan 8.370 nan 0.000 0.425 96 L N 1.226 122.445 121.223 -0.006 0.000 2.620 96 L HA 0.651 4.992 4.340 0.001 0.000 0.261 96 L C -1.610 175.242 176.870 -0.029 0.000 0.978 96 L CA -0.035 54.801 54.840 -0.007 0.000 0.897 96 L CB 1.243 43.319 42.059 0.028 0.000 1.207 96 L HN 0.280 nan 8.230 nan 0.000 0.425 97 S N 1.800 117.461 115.700 -0.064 0.000 2.739 97 S HA 1.011 5.481 4.470 0.001 0.000 0.306 97 S C 0.023 174.528 174.600 -0.159 0.000 1.115 97 S CA 0.045 58.179 58.200 -0.110 0.000 0.985 97 S CB 1.771 64.900 63.200 -0.119 0.000 1.133 97 S HN 0.958 nan 8.310 nan 0.000 0.541 98 A N 0.508 123.169 122.820 -0.264 0.000 3.184 98 A HA 0.852 5.172 4.320 0.001 0.000 0.206 98 A C -1.319 176.013 177.584 -0.421 0.000 1.262 98 A CA -0.283 51.537 52.037 -0.362 0.000 0.891 98 A CB 0.717 19.401 19.000 -0.527 0.000 1.526 98 A HN 0.669 nan 8.150 nan 0.000 0.508 99 D N -1.556 118.527 120.400 -0.528 0.000 2.266 99 D HA 0.191 4.831 4.640 0.001 0.000 0.218 99 D C -0.943 175.182 176.300 -0.293 0.000 1.311 99 D CA -0.320 53.440 54.000 -0.400 0.000 0.918 99 D CB -0.450 40.234 40.800 -0.193 0.000 1.530 99 D HN 0.269 nan 8.370 nan 0.000 0.514 100 F N 2.021 121.882 119.950 -0.149 0.000 2.805 100 F HA 0.090 4.618 4.527 0.001 0.000 0.301 100 F C 1.389 177.207 175.800 0.031 0.000 1.196 100 F CA -0.060 57.829 58.000 -0.185 0.000 1.439 100 F CB 0.011 38.659 39.000 -0.587 0.000 1.117 100 F HN 0.294 nan 8.300 nan 0.000 0.581 101 F N 1.166 121.146 119.950 0.050 0.000 2.293 101 F HA -0.090 4.438 4.527 0.001 0.000 0.272 101 F C 2.758 178.569 175.800 0.017 0.000 1.053 101 F CA 1.528 59.563 58.000 0.059 0.000 1.152 101 F CB -0.910 38.102 39.000 0.021 0.000 1.119 101 F HN -0.102 nan 8.300 nan 0.000 0.564 102 T N -1.706 112.889 114.554 0.068 0.000 2.946 102 T HA -0.113 4.237 4.350 0.001 0.000 0.271 102 T C 1.066 175.647 174.700 -0.199 0.000 1.104 102 T CA 0.953 62.996 62.100 -0.094 0.000 1.114 102 T CB -0.836 68.022 68.868 -0.017 0.000 0.867 102 T HN 0.403 nan 8.240 nan 0.000 0.513 103 S N 0.687 116.290 115.700 -0.161 0.000 3.727 103 S HA -0.085 4.385 4.470 0.001 0.000 0.444 103 S C -0.003 174.406 174.600 -0.319 0.000 0.867 103 S CA 0.364 58.449 58.200 -0.193 0.000 1.324 103 S CB -1.677 61.400 63.200 -0.204 0.000 0.890 103 S HN 1.530 nan 8.310 nan 0.000 0.599 104 S N 2.176 117.707 115.700 -0.282 0.000 2.588 104 S HA 0.897 5.367 4.470 0.001 0.000 0.275 104 S C -1.358 173.092 174.600 -0.249 0.000 1.130 104 S CA -1.060 56.948 58.200 -0.319 0.000 0.855 104 S CB 1.779 64.828 63.200 -0.253 0.000 1.116 104 S HN 0.376 nan 8.310 nan 0.000 0.472 105 L N 1.982 123.083 121.223 -0.204 0.000 2.381 105 L HA 0.642 4.983 4.340 0.001 0.000 0.274 105 L C -1.163 175.652 176.870 -0.091 0.000 0.988 105 L CA -0.599 54.186 54.840 -0.093 0.000 0.824 105 L CB 1.605 43.703 42.059 0.065 0.000 1.263 105 L HN 0.840 nan 8.230 nan 0.000 0.410 106 L N 5.425 126.601 121.223 -0.078 0.000 2.297 106 L HA 0.594 4.935 4.340 0.001 0.000 0.277 106 L C -1.239 175.619 176.870 -0.019 0.000 1.040 106 L CA -0.285 54.511 54.840 -0.073 0.000 0.867 106 L CB 0.956 42.946 42.059 -0.115 0.000 1.244 106 L HN 0.536 nan 8.230 nan 0.000 0.433 107 L N 6.011 127.256 121.223 0.037 0.000 2.319 107 L HA 0.608 4.948 4.340 0.001 0.000 0.281 107 L C -0.946 175.784 176.870 -0.235 0.000 1.005 107 L CA -0.202 54.639 54.840 0.002 0.000 0.828 107 L CB 0.916 43.067 42.059 0.153 0.000 1.227 107 L HN 0.648 nan 8.230 nan 0.000 0.415 108 K N 5.548 125.774 120.400 -0.291 0.000 2.463 108 K HA 0.461 4.781 4.320 0.001 0.000 0.255 108 K C -0.748 175.613 176.600 -0.398 0.000 0.942 108 K CA -0.768 55.196 56.287 -0.538 0.000 0.814 108 K CB 1.227 33.562 32.500 -0.276 0.000 1.122 108 K HN 0.664 nan 8.250 nan 0.000 0.425 109 W N 1.674 122.859 121.300 -0.191 0.000 2.055 109 W HA 0.385 5.045 4.660 0.001 0.000 0.644 109 W C -0.193 176.214 176.519 -0.187 0.000 1.508 109 W CA -0.734 56.503 57.345 -0.179 0.000 0.956 109 W CB -0.088 29.235 29.460 -0.228 0.000 3.478 109 W HN 0.415 nan 8.180 nan 0.000 0.744 110 N N 1.567 120.506 118.700 0.398 0.000 2.664 110 N HA 0.038 4.779 4.740 0.001 0.000 0.268 110 N C -1.802 173.764 175.510 0.094 0.000 1.222 110 N CA -0.172 52.987 53.050 0.182 0.000 0.805 110 N CB 0.869 39.418 38.487 0.105 0.000 1.399 110 N HN 0.240 nan 8.380 nan 0.000 0.547 111 D N 2.110 122.568 120.400 0.098 0.000 2.520 111 D HA -0.014 4.627 4.640 0.001 0.000 0.243 111 D C 1.425 177.755 176.300 0.051 0.000 1.160 111 D CA 0.379 54.426 54.000 0.078 0.000 0.877 111 D CB 0.882 41.742 40.800 0.100 0.000 1.150 111 D HN 0.299 nan 8.370 nan 0.000 0.494 112 R N 3.527 124.034 120.500 0.011 0.000 2.062 112 R HA 0.045 4.385 4.340 0.001 0.000 0.229 112 R C 2.050 178.389 176.300 0.066 0.000 1.128 112 R CA 0.974 57.108 56.100 0.056 0.000 0.960 112 R CB -1.272 29.105 30.300 0.130 0.000 0.855 112 R HN 0.773 nan 8.270 nan 0.000 0.432 113 G N 0.958 109.805 108.800 0.078 0.000 3.773 113 G HA2 -0.511 3.449 3.960 0.001 0.000 0.355 113 G HA3 -0.511 3.449 3.960 0.001 0.000 0.355 113 G C 1.120 176.035 174.900 0.026 0.000 1.323 113 G CA 2.802 47.931 45.100 0.049 0.000 1.103 113 G HN 0.459 nan 8.290 nan 0.000 0.716 114 S N 1.018 116.729 115.700 0.018 0.000 2.502 114 S HA -0.284 4.186 4.470 0.001 0.000 0.288 114 S C 2.616 177.222 174.600 0.009 0.000 1.186 114 S CA 3.813 62.020 58.200 0.011 0.000 1.182 114 S CB -0.937 62.273 63.200 0.017 0.000 1.135 114 S HN 2.167 nan 8.310 nan 0.000 0.442 115 A N 0.887 123.721 122.820 0.023 0.000 1.968 115 A HA 0.379 4.700 4.320 0.001 0.000 0.217 115 A C 0.981 178.563 177.584 -0.003 0.000 1.169 115 A CA 0.893 52.939 52.037 0.015 0.000 0.638 115 A CB -0.333 18.688 19.000 0.035 0.000 0.812 115 A HN 0.570 nan 8.150 nan 0.000 0.446 116 L N 0.222 121.449 121.223 0.006 0.000 2.322 116 L HA 0.424 4.765 4.340 0.001 0.000 0.281 116 L C -2.582 174.274 176.870 -0.023 0.000 1.014 116 L CA -2.272 52.563 54.840 -0.010 0.000 0.815 116 L CB 1.647 43.721 42.059 0.025 0.000 1.247 116 L HN -0.088 nan 8.230 nan 0.000 0.421 117 P HA -0.036 nan 4.420 nan 0.000 0.268 117 P C 0.449 177.795 177.300 0.077 0.000 1.208 117 P CA -0.143 62.890 63.100 -0.112 0.000 0.777 117 P CB 0.436 31.820 31.700 -0.527 0.000 0.875 118 H N 2.534 121.642 119.070 0.064 0.000 2.321 118 H HA -0.088 4.469 4.556 0.001 0.000 0.295 118 H C -1.272 174.126 175.328 0.117 0.000 1.102 118 H CA 1.495 57.599 56.048 0.094 0.000 1.266 118 H CB -1.341 28.472 29.762 0.084 0.000 1.363 118 H HN 0.326 nan 8.280 nan 0.000 0.492 119 P HA 0.249 nan 4.420 nan 0.000 0.293 119 P C -1.132 176.301 177.300 0.223 0.000 1.300 119 P CA -0.097 63.172 63.100 0.282 0.000 0.792 119 P CB 1.532 33.331 31.700 0.165 0.000 0.925 120 S N 2.093 117.891 115.700 0.163 0.000 2.849 120 S HA 0.113 4.583 4.470 0.001 0.000 0.141 120 S C -0.466 174.194 174.600 0.101 0.000 1.109 120 S CA -0.653 57.620 58.200 0.122 0.000 1.106 120 S CB -0.422 62.842 63.200 0.108 0.000 1.637 120 S HN 0.363 nan 8.310 nan 0.000 0.457 121 N N 3.145 121.902 118.700 0.094 0.000 2.381 121 N HA 0.123 4.864 4.740 0.001 0.000 0.288 121 N C 0.030 175.572 175.510 0.054 0.000 1.346 121 N CA 0.355 53.455 53.050 0.083 0.000 0.970 121 N CB 0.493 39.026 38.487 0.077 0.000 1.351 121 N HN 0.680 nan 8.380 nan 0.000 0.488 122 A N 2.154 125.007 122.820 0.055 0.000 2.304 122 A HA 0.555 4.876 4.320 0.001 0.000 0.323 122 A C 0.375 177.893 177.584 -0.110 0.000 1.195 122 A CA -0.708 51.308 52.037 -0.035 0.000 0.826 122 A CB 0.681 19.732 19.000 0.085 0.000 1.184 122 A HN 0.474 nan 8.150 nan 0.000 0.496 123 T N -0.102 114.221 114.554 -0.384 0.000 2.812 123 T HA 0.605 4.956 4.350 0.001 0.000 0.282 123 T C -0.769 173.780 174.700 -0.252 0.000 0.990 123 T CA -0.482 61.463 62.100 -0.259 0.000 0.960 123 T CB 0.359 69.098 68.868 -0.216 0.000 0.948 123 T HN 0.522 nan 8.240 nan 0.000 0.438 124 W N 1.412 122.687 121.300 -0.043 0.000 2.359 124 W HA 0.661 5.321 4.660 0.001 0.000 0.344 124 W C 0.571 177.119 176.519 0.049 0.000 1.170 124 W CA -0.822 56.523 57.345 -0.001 0.000 1.296 124 W CB 0.678 30.000 29.460 -0.231 0.000 1.197 124 W HN 0.836 nan 8.180 nan 0.000 0.618 125 E N 1.973 122.352 120.200 0.297 0.000 2.263 125 E HA 0.440 4.791 4.350 0.001 0.000 0.268 125 E C -1.342 175.364 176.600 0.176 0.000 0.884 125 E CA -0.434 56.077 56.400 0.186 0.000 0.766 125 E CB 1.172 30.948 29.700 0.127 0.000 1.196 125 E HN 0.443 nan 8.360 nan 0.000 0.416 126 I N 3.150 123.718 120.570 -0.003 0.000 2.525 126 I HA 0.452 4.622 4.170 0.001 0.000 0.301 126 I C -0.113 175.950 176.117 -0.091 0.000 0.992 126 I CA -0.930 60.298 61.300 -0.119 0.000 1.162 126 I CB 1.777 39.420 38.000 -0.596 0.000 1.332 126 I HN 0.345 nan 8.210 nan 0.000 0.458 127 K N 4.925 125.249 120.400 -0.127 0.000 2.541 127 K HA 0.598 4.918 4.320 0.001 0.000 0.250 127 K C -1.239 175.270 176.600 -0.152 0.000 0.950 127 K CA -0.531 55.645 56.287 -0.185 0.000 0.805 127 K CB 2.127 34.362 32.500 -0.442 0.000 1.166 127 K HN 0.532 nan 8.250 nan 0.000 0.430 128 V N 1.353 121.194 119.914 -0.122 0.000 2.975 128 V HA 0.752 4.873 4.120 0.001 0.000 0.318 128 V C -0.700 175.396 176.094 0.004 0.000 1.077 128 V CA -0.908 61.366 62.300 -0.044 0.000 1.000 128 V CB 1.333 33.072 31.823 -0.140 0.000 1.066 128 V HN 0.656 nan 8.190 nan 0.000 0.452 129 L N 0.822 122.107 121.223 0.103 0.000 2.654 129 L HA 0.635 4.976 4.340 0.001 0.000 0.257 129 L C 0.186 177.123 176.870 0.111 0.000 1.093 129 L CA -0.394 54.495 54.840 0.082 0.000 0.903 129 L CB 1.783 43.845 42.059 0.006 0.000 1.520 129 L HN 0.862 nan 8.230 nan 0.000 0.402 130 Q N -0.289 119.518 119.800 0.012 0.000 2.623 130 Q HA 0.416 4.756 4.340 0.001 0.000 0.204 130 Q C -0.437 175.534 176.000 -0.048 0.000 0.942 130 Q CA -0.508 55.230 55.803 -0.108 0.000 0.459 130 Q CB 0.470 29.131 28.738 -0.128 0.000 4.000 130 Q HN 0.567 nan 8.270 nan 0.000 0.282 131 N N 0.809 119.507 118.700 -0.002 0.000 2.197 131 N HA 0.243 4.984 4.740 0.001 0.000 0.228 131 N C -2.283 173.246 175.510 0.031 0.000 1.212 131 N CA -0.347 52.712 53.050 0.015 0.000 0.883 131 N CB 0.389 38.902 38.487 0.042 0.000 1.107 131 N HN 0.338 nan 8.380 nan 0.000 0.519 132 P HA 0.369 nan 4.420 nan 0.000 0.287 132 P C 0.804 178.115 177.300 0.018 0.000 1.279 132 P CA -0.315 62.804 63.100 0.032 0.000 0.867 132 P CB 1.169 32.894 31.700 0.042 0.000 1.127 133 R N 0.047 120.558 120.500 0.018 0.000 2.293 133 R HA 0.011 4.352 4.340 0.001 0.000 0.219 133 R C 1.368 177.675 176.300 0.011 0.000 1.091 133 R CA 1.615 57.721 56.100 0.011 0.000 1.004 133 R CB -1.492 28.817 30.300 0.014 0.000 0.865 133 R HN 0.675 nan 8.270 nan 0.000 0.469 134 T N -0.276 114.291 114.554 0.021 0.000 2.814 134 T HA 0.421 4.772 4.350 0.001 0.000 0.284 134 T C -1.000 173.712 174.700 0.020 0.000 0.998 134 T CA -0.229 61.887 62.100 0.026 0.000 0.935 134 T CB 0.645 69.538 68.868 0.041 0.000 1.167 134 T HN 0.514 nan 8.240 nan 0.000 0.545 135 E N 1.335 121.550 120.200 0.025 0.000 2.283 135 E HA 0.327 4.678 4.350 0.001 0.000 0.258 135 E C -2.096 174.525 176.600 0.036 0.000 0.893 135 E CA -1.627 54.781 56.400 0.013 0.000 0.798 135 E CB 1.634 31.323 29.700 -0.017 0.000 1.242 135 E HN 0.244 nan 8.360 nan 0.000 0.414 136 P HA -0.160 nan 4.420 nan 0.000 0.218 136 P C -0.379 176.945 177.300 0.040 0.000 1.146 136 P CA 1.048 64.224 63.100 0.126 0.000 0.820 136 P CB 0.169 32.031 31.700 0.270 0.000 0.778 137 V N -5.766 114.089 119.914 -0.098 0.000 2.809 137 V HA 0.650 4.770 4.120 0.001 0.000 0.290 137 V C -0.789 175.249 176.094 -0.094 0.000 1.305 137 V CA -1.643 60.596 62.300 -0.101 0.000 0.939 137 V CB 0.895 32.621 31.823 -0.161 0.000 1.081 137 V HN 0.010 nan 8.190 nan 0.000 0.439 138 A N 4.820 127.628 122.820 -0.020 0.000 2.363 138 A HA 0.909 5.229 4.320 0.001 0.000 0.270 138 A C -0.760 176.837 177.584 0.022 0.000 1.121 138 A CA -0.437 51.605 52.037 0.007 0.000 0.800 138 A CB 1.101 20.131 19.000 0.049 0.000 1.052 138 A HN 1.583 nan 8.150 nan 0.000 0.493 139 L N 3.824 125.052 121.223 0.008 0.000 2.528 139 L HA 0.470 4.810 4.340 0.001 0.000 0.267 139 L C -0.478 176.407 176.870 0.026 0.000 0.961 139 L CA -0.556 54.305 54.840 0.034 0.000 0.866 139 L CB 1.697 43.799 42.059 0.072 0.000 1.248 139 L HN 0.706 nan 8.230 nan 0.000 0.404 140 V N 3.794 123.764 119.914 0.093 0.000 2.408 140 V HA 0.496 4.616 4.120 0.001 0.000 0.267 140 V C -0.210 175.956 176.094 0.121 0.000 1.047 140 V CA -0.537 61.840 62.300 0.128 0.000 0.937 140 V CB 1.133 33.059 31.823 0.170 0.000 0.999 140 V HN 0.712 nan 8.190 nan 0.000 0.472 141 L N 6.526 127.825 121.223 0.127 0.000 2.287 141 L HA 0.552 4.892 4.340 0.001 0.000 0.287 141 L C -0.704 176.284 176.870 0.197 0.000 1.022 141 L CA -0.742 54.182 54.840 0.139 0.000 0.814 141 L CB 1.647 43.753 42.059 0.077 0.000 1.217 141 L HN 0.710 nan 8.230 nan 0.000 0.420 142 L N 5.425 126.747 121.223 0.165 0.000 2.295 142 L HA 0.305 4.646 4.340 0.001 0.000 0.288 142 L C -0.137 176.840 176.870 0.178 0.000 1.079 142 L CA -0.028 54.905 54.840 0.155 0.000 0.830 142 L CB 0.513 42.642 42.059 0.116 0.000 1.200 142 L HN 0.513 nan 8.230 nan 0.000 0.438 143 N N 1.356 120.200 118.700 0.239 0.000 2.407 143 N HA 0.138 4.878 4.740 0.001 0.000 0.277 143 N C -0.574 175.059 175.510 0.205 0.000 0.995 143 N CA -0.373 52.821 53.050 0.241 0.000 0.903 143 N CB 1.672 40.356 38.487 0.328 0.000 1.218 143 N HN 0.378 nan 8.380 nan 0.000 0.487 144 T N 4.772 119.416 114.554 0.150 0.000 2.751 144 T HA 0.082 4.432 4.350 0.001 0.000 0.290 144 T C 0.737 175.515 174.700 0.130 0.000 0.919 144 T CA -0.577 61.599 62.100 0.127 0.000 1.136 144 T CB -0.382 68.548 68.868 0.104 0.000 0.875 144 T HN 0.503 nan 8.240 nan 0.000 0.532 145 M N 5.206 124.888 119.600 0.136 0.000 2.250 145 M HA 0.263 4.743 4.480 0.001 0.000 0.337 145 M C -0.831 175.505 176.300 0.061 0.000 1.161 145 M CA 0.085 55.459 55.300 0.123 0.000 1.088 145 M CB -0.744 31.933 32.600 0.127 0.000 1.639 145 M HN 0.538 nan 8.290 nan 0.000 0.447 146 L N 5.281 126.527 121.223 0.038 0.000 2.599 146 L HA 0.525 4.866 4.340 0.001 0.000 0.241 146 L C 0.600 177.440 176.870 -0.050 0.000 1.207 146 L CA -0.060 54.769 54.840 -0.017 0.000 0.987 146 L CB -0.707 41.357 42.059 0.008 0.000 1.318 146 L HN 1.023 nan 8.230 nan 0.000 0.458 147 S N 0.121 115.759 115.700 -0.103 0.000 2.633 147 S HA 0.720 5.191 4.470 0.001 0.000 0.257 147 S C 1.447 175.983 174.600 -0.106 0.000 1.265 147 S CA 0.864 59.012 58.200 -0.087 0.000 0.980 147 S CB 1.177 64.328 63.200 -0.082 0.000 1.017 147 S HN 2.552 nan 8.310 nan 0.000 0.577 148 G N -0.599 108.163 108.800 -0.063 0.000 2.454 148 G HA2 0.014 3.974 3.960 0.001 0.000 0.225 148 G HA3 0.014 3.974 3.960 0.001 0.000 0.225 148 G C 0.146 175.036 174.900 -0.017 0.000 1.138 148 G CA 0.897 45.976 45.100 -0.035 0.000 0.667 148 G HN 1.516 nan 8.290 nan 0.000 0.512 149 K N 0.159 120.549 120.400 -0.017 0.000 2.433 149 K HA 0.719 5.040 4.320 0.001 0.000 0.252 149 K C -0.915 175.689 176.600 0.006 0.000 1.015 149 K CA 0.080 56.365 56.287 -0.003 0.000 0.860 149 K CB 0.823 33.321 32.500 -0.003 0.000 1.359 149 K HN 0.360 nan 8.250 nan 0.000 0.452 150 D N 1.243 121.650 120.400 0.012 0.000 2.177 150 D HA 0.485 5.125 4.640 0.001 0.000 0.247 150 D C -0.431 175.878 176.300 0.015 0.000 1.063 150 D CA -0.016 53.997 54.000 0.021 0.000 0.867 150 D CB 1.691 42.506 40.800 0.025 0.000 1.168 150 D HN 0.564 nan 8.370 nan 0.000 0.445 151 T N -2.089 112.479 114.554 0.023 0.000 2.890 151 T HA 0.388 4.738 4.350 0.001 0.000 0.295 151 T C 0.024 174.723 174.700 -0.002 0.000 0.993 151 T CA -1.125 60.976 62.100 0.001 0.000 0.979 151 T CB 0.795 69.664 68.868 0.001 0.000 0.967 151 T HN 0.234 nan 8.240 nan 0.000 0.441 152 V N 1.491 121.362 119.914 -0.070 0.000 2.382 152 V HA 0.250 4.370 4.120 0.001 0.000 0.250 152 V C 0.492 176.339 176.094 -0.413 0.000 1.069 152 V CA -0.367 61.839 62.300 -0.156 0.000 1.130 152 V CB -0.538 31.185 31.823 -0.166 0.000 1.165 152 V HN 0.877 nan 8.190 nan 0.000 0.483 153 Q N 2.462 122.022 119.800 -0.399 0.000 2.230 153 Q HA 0.416 4.756 4.340 0.001 0.000 0.248 153 Q C -0.393 174.829 176.000 -1.296 0.000 0.915 153 Q CA -0.302 55.088 55.803 -0.689 0.000 0.900 153 Q CB 1.660 30.350 28.738 -0.080 0.000 1.229 153 Q HN 0.941 nan 8.270 nan 0.000 0.439 154 H N 0.000 118.710 119.070 -0.601 0.000 2.523 154 H HA 0.435 4.992 4.556 0.001 0.000 0.345 154 H C -1.123 174.054 175.328 -0.251 0.000 1.261 154 H CA -0.510 55.275 56.048 -0.440 0.000 1.343 154 H CB 1.155 30.791 29.762 -0.209 0.000 1.650 154 H HN 0.530 nan 8.280 nan 0.000 0.591 155 W N 1.541 122.733 121.300 -0.180 0.000 3.473 155 W HA 0.181 4.842 4.660 0.001 0.000 0.324 155 W C -1.539 174.956 176.519 -0.039 0.000 1.099 155 W CA -0.828 56.459 57.345 -0.098 0.000 1.277 155 W CB 0.985 30.384 29.460 -0.102 0.000 1.216 155 W HN 0.429 nan 8.180 nan 0.000 0.423 156 N N 4.838 123.377 118.700 -0.269 0.000 2.558 156 N HA 0.126 4.867 4.740 0.001 0.000 0.233 156 N C -0.982 174.204 175.510 -0.539 0.000 1.038 156 N CA -0.195 52.659 53.050 -0.326 0.000 0.934 156 N CB 0.406 38.764 38.487 -0.214 0.000 1.175 156 N HN 0.468 nan 8.380 nan 0.000 0.512 157 W N 3.747 124.526 121.300 -0.867 0.000 2.438 157 W HA 0.394 5.055 4.660 0.001 0.000 0.324 157 W C -0.307 175.953 176.519 -0.432 0.000 1.119 157 W CA -0.532 56.308 57.345 -0.842 0.000 1.221 157 W CB 0.862 29.660 29.460 -1.103 0.000 1.253 157 W HN 0.324 nan 8.180 nan 0.000 0.555 158 T N 2.304 116.268 114.554 -0.982 0.000 2.772 158 T HA 0.278 4.628 4.350 0.001 0.000 0.288 158 T C -0.224 173.552 174.700 -1.540 0.000 0.994 158 T CA -0.750 60.796 62.100 -0.923 0.000 0.951 158 T CB 1.318 69.893 68.868 -0.489 0.000 0.933 158 T HN 0.413 nan 8.240 nan 0.000 0.447 159 S N 2.458 117.329 115.700 -1.381 0.000 4.087 159 S HA 0.077 4.548 4.470 0.001 0.000 0.213 159 S C 1.142 175.426 174.600 -0.527 0.000 1.415 159 S CA -0.655 56.756 58.200 -1.316 0.000 0.893 159 S CB -0.719 61.923 63.200 -0.930 0.000 1.529 159 S HN 0.643 nan 8.310 nan 0.000 0.457 160 D N 2.423 122.598 120.400 -0.374 0.000 2.322 160 D HA -0.104 4.537 4.640 0.001 0.000 0.210 160 D C 0.899 177.162 176.300 -0.063 0.000 0.983 160 D CA 0.827 54.736 54.000 -0.152 0.000 0.902 160 D CB 0.014 40.783 40.800 -0.051 0.000 0.905 160 D HN 0.473 nan 8.370 nan 0.000 0.483 161 L N 0.524 121.727 121.223 -0.034 0.000 2.553 161 L HA 0.147 4.487 4.340 0.001 0.000 0.185 161 L C -1.662 175.203 176.870 -0.009 0.000 1.137 161 L CA -0.976 53.880 54.840 0.025 0.000 0.919 161 L CB -0.968 41.175 42.059 0.140 0.000 1.560 161 L HN -0.128 nan 8.230 nan 0.000 0.515 162 P HA -0.055 nan 4.420 nan 0.000 0.270 162 P C -0.819 176.500 177.300 0.032 0.000 1.221 162 P CA 0.216 63.323 63.100 0.011 0.000 0.788 162 P CB 0.222 31.926 31.700 0.005 0.000 0.904 163 L N 2.133 123.367 121.223 0.018 0.000 2.512 163 L HA 0.088 4.428 4.340 0.001 0.000 0.247 163 L C 0.743 177.678 176.870 0.109 0.000 1.204 163 L CA 0.144 55.015 54.840 0.051 0.000 1.153 163 L CB -0.749 41.354 42.059 0.074 0.000 1.415 163 L HN 0.452 nan 8.230 nan 0.000 0.406 164 Q N -1.425 118.503 119.800 0.213 0.000 2.439 164 Q HA -0.229 4.112 4.340 0.001 0.000 0.247 164 Q C 1.319 177.402 176.000 0.138 0.000 0.899 164 Q CA 1.402 57.429 55.803 0.374 0.000 1.201 164 Q CB -2.875 26.219 28.738 0.593 0.000 1.608 164 Q HN 0.898 nan 8.270 nan 0.000 0.563 165 c N -1.394 117.077 118.600 -0.216 0.000 2.526 165 c HA 0.680 5.250 4.570 0.001 0.000 0.286 165 c C 1.099 175.115 174.090 -0.124 0.000 1.416 165 c CA -0.173 55.908 56.329 -0.413 0.000 1.671 165 c CB -1.095 41.145 42.510 -0.451 0.000 1.650 165 c HN 0.617 nan 8.230 nan 0.000 0.590 166 A N 0.827 123.646 122.820 -0.001 0.000 2.488 166 A HA 0.639 4.960 4.320 0.001 0.000 0.295 166 A C -0.022 177.516 177.584 -0.078 0.000 1.045 166 A CA -0.017 52.052 52.037 0.054 0.000 0.703 166 A CB 0.445 19.488 19.000 0.073 0.000 1.271 166 A HN 0.572 nan 8.150 nan 0.000 0.400 167 T N 0.558 115.090 114.554 -0.036 0.000 2.870 167 T HA 0.521 4.871 4.350 0.001 0.000 0.300 167 T C -0.049 174.601 174.700 -0.083 0.000 0.989 167 T CA 0.221 62.327 62.100 0.009 0.000 1.139 167 T CB 0.005 68.887 68.868 0.025 0.000 0.920 167 T HN 0.604 nan 8.240 nan 0.000 0.537 168 H N 0.887 120.028 119.070 0.118 0.000 2.502 168 H HA 0.672 5.228 4.556 0.001 0.000 0.338 168 H C 0.106 175.485 175.328 0.086 0.000 1.155 168 H CA -0.388 55.731 56.048 0.119 0.000 1.237 168 H CB 1.667 31.529 29.762 0.167 0.000 1.534 168 H HN 0.656 nan 8.280 nan 0.000 0.523 169 S N 0.722 116.537 115.700 0.192 0.000 2.600 169 S HA 0.673 5.144 4.470 0.001 0.000 0.300 169 S C -1.114 173.543 174.600 0.095 0.000 1.087 169 S CA -0.682 57.580 58.200 0.103 0.000 0.965 169 S CB 1.629 64.841 63.200 0.020 0.000 1.089 169 S HN 0.297 nan 8.310 nan 0.000 0.496 170 V N 1.500 121.445 119.914 0.051 0.000 2.971 170 V HA 0.856 4.977 4.120 0.001 0.000 0.309 170 V C -0.790 175.288 176.094 -0.027 0.000 1.130 170 V CA -0.241 62.082 62.300 0.038 0.000 0.964 170 V CB 2.428 34.324 31.823 0.123 0.000 1.029 170 V HN 0.816 nan 8.190 nan 0.000 0.427 171 S N 3.277 118.925 115.700 -0.087 0.000 2.537 171 S HA 0.828 5.299 4.470 0.001 0.000 0.271 171 S C -1.593 173.018 174.600 0.018 0.000 1.148 171 S CA -0.413 57.717 58.200 -0.117 0.000 0.868 171 S CB 1.519 64.457 63.200 -0.436 0.000 1.115 171 S HN 0.852 nan 8.310 nan 0.000 0.461 172 I N 1.036 121.782 120.570 0.294 0.000 3.042 172 I HA 0.915 5.085 4.170 0.001 0.000 0.310 172 I C -0.531 175.972 176.117 0.643 0.000 1.117 172 I CA -0.911 60.697 61.300 0.513 0.000 1.003 172 I CB 1.884 40.102 38.000 0.362 0.000 1.228 172 I HN 0.883 nan 8.210 nan 0.000 0.443 173 R N 1.543 122.282 120.500 0.397 0.000 2.766 173 R HA 0.812 5.153 4.340 0.001 0.000 0.270 173 R C -2.237 174.255 176.300 0.319 0.000 1.035 173 R CA -0.763 55.436 56.100 0.164 0.000 0.911 173 R CB 1.903 31.857 30.300 -0.578 0.000 1.243 173 R HN 0.966 nan 8.270 nan 0.000 0.460 174 W N 0.451 121.683 121.300 -0.114 0.000 3.419 174 W HA 0.376 5.037 4.660 0.001 0.000 0.298 174 W C -1.731 174.704 176.519 -0.140 0.000 1.260 174 W CA -1.173 56.027 57.345 -0.241 0.000 1.199 174 W CB -0.548 28.279 29.460 -1.056 0.000 1.349 174 W HN 0.956 nan 8.180 nan 0.000 0.557 175 H N 0.596 119.491 119.070 -0.291 0.000 2.559 175 H HA 0.847 5.404 4.556 0.001 0.000 0.343 175 H C -1.066 173.919 175.328 -0.571 0.000 1.209 175 H CA -1.033 54.647 56.048 -0.613 0.000 1.287 175 H CB 1.935 31.197 29.762 -0.833 0.000 1.650 175 H HN 0.343 nan 8.280 nan 0.000 0.567 176 I N 1.000 121.393 120.570 -0.295 0.000 2.493 176 I HA 0.235 4.406 4.170 0.001 0.000 0.298 176 I C -0.390 175.737 176.117 0.016 0.000 0.998 176 I CA -0.599 60.578 61.300 -0.205 0.000 1.137 176 I CB 1.648 39.429 38.000 -0.365 0.000 1.310 176 I HN 0.645 nan 8.210 nan 0.000 0.445 177 D N 2.939 123.374 120.400 0.058 0.000 2.433 177 D HA 0.679 5.320 4.640 0.001 0.000 0.236 177 D C -1.241 175.093 176.300 0.057 0.000 1.026 177 D CA -0.030 53.999 54.000 0.049 0.000 0.884 177 D CB 2.348 43.193 40.800 0.075 0.000 1.384 177 D HN 0.473 nan 8.370 nan 0.000 0.477 178 S N 1.298 117.045 115.700 0.079 0.000 2.678 178 S HA 0.267 4.737 4.470 0.001 0.000 0.290 178 S C -2.682 171.980 174.600 0.103 0.000 1.047 178 S CA -0.767 57.500 58.200 0.112 0.000 0.851 178 S CB 1.381 64.680 63.200 0.166 0.000 1.058 178 S HN 0.157 nan 8.310 nan 0.000 0.451 179 P HA 0.154 nan 4.420 nan 0.000 0.241 179 P C 0.996 178.284 177.300 -0.020 0.000 1.191 179 P CA 0.437 63.525 63.100 -0.020 0.000 0.771 179 P CB -0.122 31.526 31.700 -0.086 0.000 0.929 180 H N -1.691 117.436 119.070 0.096 0.000 2.495 180 H HA 0.084 4.641 4.556 0.001 0.000 0.287 180 H C 0.039 175.487 175.328 0.199 0.000 1.033 180 H CA 0.741 56.861 56.048 0.121 0.000 1.307 180 H CB 0.060 29.891 29.762 0.116 0.000 1.401 180 H HN 0.165 nan 8.280 nan 0.000 0.555 181 F N 0.116 120.141 119.950 0.125 0.000 2.507 181 F HA 0.277 4.805 4.527 0.001 0.000 0.328 181 F C 0.669 176.480 175.800 0.017 0.000 1.136 181 F CA -0.550 57.499 58.000 0.082 0.000 0.930 181 F CB 1.832 40.863 39.000 0.053 0.000 1.166 181 F HN -0.313 nan 8.300 nan 0.000 0.436 182 S N 3.140 118.515 115.700 -0.542 0.000 2.559 182 S HA 0.359 4.830 4.470 0.001 0.000 0.226 182 S C 0.730 174.968 174.600 -0.604 0.000 1.000 182 S CA 0.281 58.232 58.200 -0.415 0.000 0.948 182 S CB -0.495 62.575 63.200 -0.217 0.000 0.870 182 S HN 0.896 nan 8.310 nan 0.000 0.497 183 G N -0.151 107.907 108.800 -1.236 0.000 2.510 183 G HA2 0.337 4.298 3.960 0.001 0.000 0.280 183 G HA3 0.337 4.298 3.960 0.001 0.000 0.280 183 G C -0.861 173.791 174.900 -0.412 0.000 1.386 183 G CA -0.793 43.810 45.100 -0.829 0.000 1.047 183 G HN 0.447 nan 8.290 nan 0.000 0.527 184 Y N 1.019 121.201 120.300 -0.197 0.000 2.754 184 Y HA 0.171 4.722 4.550 0.001 0.000 0.349 184 Y C 1.049 177.015 175.900 0.110 0.000 1.179 184 Y CA 0.151 58.221 58.100 -0.051 0.000 1.538 184 Y CB 0.062 38.483 38.460 -0.064 0.000 1.200 184 Y HN 0.217 nan 8.280 nan 0.000 0.522 185 K N 4.255 124.707 120.400 0.086 0.000 2.202 185 K HA 0.193 4.514 4.320 0.001 0.000 0.264 185 K C -0.609 176.000 176.600 0.014 0.000 1.010 185 K CA -0.259 56.050 56.287 0.037 0.000 0.940 185 K CB 0.885 33.275 32.500 -0.184 0.000 0.983 185 K HN 0.603 nan 8.250 nan 0.000 0.475 186 E N 1.018 121.168 120.200 -0.083 0.000 2.366 186 E HA 0.204 4.555 4.350 0.001 0.000 0.278 186 E C -1.678 174.828 176.600 -0.156 0.000 0.923 186 E CA -0.634 55.740 56.400 -0.043 0.000 0.761 186 E CB 0.577 30.289 29.700 0.020 0.000 1.231 186 E HN 0.434 nan 8.360 nan 0.000 0.443 187 W N 3.510 124.723 121.300 -0.146 0.000 2.223 187 W HA 0.127 4.788 4.660 0.001 0.000 0.334 187 W C 1.073 177.417 176.519 -0.290 0.000 1.334 187 W CA -0.059 57.156 57.345 -0.216 0.000 1.246 187 W CB 0.826 30.156 29.460 -0.218 0.000 1.184 187 W HN 0.593 nan 8.180 nan 0.000 0.563 188 S N 2.392 118.139 115.700 0.079 0.000 2.634 188 S HA 0.009 4.479 4.470 0.001 0.000 0.254 188 S C 0.117 174.635 174.600 -0.136 0.000 1.299 188 S CA -0.516 57.594 58.200 -0.150 0.000 0.974 188 S CB 0.772 63.803 63.200 -0.281 0.000 1.001 188 S HN 0.534 nan 8.310 nan 0.000 0.584 189 D N -0.796 119.549 120.400 -0.091 0.000 2.387 189 D HA 0.209 4.850 4.640 0.001 0.000 0.251 189 D C -0.815 175.464 176.300 -0.034 0.000 1.141 189 D CA -0.460 53.496 54.000 -0.074 0.000 0.987 189 D CB 0.657 41.464 40.800 0.012 0.000 1.116 189 D HN 0.643 nan 8.370 nan 0.000 0.491 190 W N 1.119 122.419 121.300 -0.001 0.000 2.238 190 W HA 0.088 4.749 4.660 0.001 0.000 0.321 190 W C 1.196 177.738 176.519 0.038 0.000 1.293 190 W CA -0.784 56.562 57.345 0.001 0.000 1.204 190 W CB 0.776 30.220 29.460 -0.027 0.000 1.167 190 W HN 0.259 nan 8.180 nan 0.000 0.553 191 S N 4.194 120.153 115.700 0.432 0.000 2.569 191 S HA 0.114 4.585 4.470 0.001 0.000 0.274 191 S C -2.101 172.605 174.600 0.177 0.000 1.353 191 S CA -1.295 57.059 58.200 0.257 0.000 1.023 191 S CB 0.296 63.638 63.200 0.238 0.000 0.876 191 S HN 0.257 nan 8.310 nan 0.000 0.540 192 P HA 0.229 nan 4.420 nan 0.000 0.276 192 P C -0.234 177.103 177.300 0.061 0.000 1.253 192 P CA -0.389 62.761 63.100 0.083 0.000 0.766 192 P CB 0.138 31.881 31.700 0.073 0.000 0.845 193 L N 2.279 123.517 121.223 0.024 0.000 2.499 193 L HA 0.131 4.472 4.340 0.001 0.000 0.281 193 L C 1.041 177.926 176.870 0.026 0.000 1.234 193 L CA 0.258 55.097 54.840 -0.002 0.000 0.839 193 L CB -0.366 41.668 42.059 -0.041 0.000 1.104 193 L HN 0.240 nan 8.230 nan 0.000 0.500 194 K N 2.008 122.429 120.400 0.034 0.000 2.404 194 K HA 0.257 4.578 4.320 0.001 0.000 0.257 194 K C -0.835 175.801 176.600 0.060 0.000 1.026 194 K CA -0.315 56.002 56.287 0.051 0.000 0.951 194 K CB 0.432 32.970 32.500 0.064 0.000 1.203 194 K HN 0.365 nan 8.250 nan 0.000 0.446 195 N N 3.373 122.106 118.700 0.053 0.000 2.452 195 N HA 0.156 4.897 4.740 0.001 0.000 0.266 195 N C -0.471 175.088 175.510 0.081 0.000 1.175 195 N CA -0.108 52.980 53.050 0.063 0.000 0.945 195 N CB 0.602 39.116 38.487 0.044 0.000 1.063 195 N HN 0.529 nan 8.380 nan 0.000 0.472 196 I N -0.403 120.238 120.570 0.119 0.000 2.534 196 I HA 0.508 4.679 4.170 0.001 0.000 0.288 196 I C -0.896 175.343 176.117 0.203 0.000 1.077 196 I CA -0.424 60.958 61.300 0.137 0.000 1.051 196 I CB 1.736 39.804 38.000 0.114 0.000 1.234 196 I HN 0.326 nan 8.210 nan 0.000 0.425 197 S N 5.418 121.241 115.700 0.205 0.000 2.540 197 S HA 0.424 4.894 4.470 0.001 0.000 0.275 197 S C -1.174 173.580 174.600 0.256 0.000 1.123 197 S CA -0.622 57.709 58.200 0.217 0.000 0.907 197 S CB 1.292 64.570 63.200 0.131 0.000 1.081 197 S HN 0.834 nan 8.310 nan 0.000 0.476 198 W N 5.033 126.330 121.300 -0.006 0.000 2.381 198 W HA 0.298 4.959 4.660 0.001 0.000 0.321 198 W C -0.496 175.939 176.519 -0.141 0.000 1.407 198 W CA -0.919 56.267 57.345 -0.265 0.000 1.274 198 W CB -0.138 29.057 29.460 -0.440 0.000 1.310 198 W HN 0.715 nan 8.180 nan 0.000 0.551 199 I N 4.624 125.183 120.570 -0.018 0.000 2.395 199 I HA 0.354 4.525 4.170 0.001 0.000 0.289 199 I C 0.641 176.892 176.117 0.224 0.000 1.023 199 I CA -0.650 60.704 61.300 0.089 0.000 1.350 199 I CB 0.774 38.795 38.000 0.035 0.000 1.409 199 I HN 0.112 nan 8.210 nan 0.000 0.507 200 R N 5.170 125.849 120.500 0.299 0.000 2.370 200 R HA 0.153 4.494 4.340 0.001 0.000 0.309 200 R C -0.039 176.420 176.300 0.266 0.000 1.059 200 R CA 0.259 56.567 56.100 0.346 0.000 0.981 200 R CB 0.348 30.743 30.300 0.158 0.000 0.972 200 R HN 0.839 nan 8.270 nan 0.000 0.437 201 N N 0.514 119.441 118.700 0.377 0.000 2.202 201 N HA -0.034 4.706 4.740 0.001 0.000 0.191 201 N C -0.066 175.558 175.510 0.189 0.000 1.054 201 N CA 0.906 54.104 53.050 0.246 0.000 0.877 201 N CB 0.178 38.832 38.487 0.278 0.000 1.057 201 N HN 0.476 nan 8.380 nan 0.000 0.456 202 T N -0.401 114.278 114.554 0.208 0.000 2.950 202 T HA 0.133 4.483 4.350 0.001 0.000 0.288 202 T C 0.768 175.521 174.700 0.088 0.000 1.035 202 T CA -0.638 61.539 62.100 0.129 0.000 1.028 202 T CB 2.025 70.961 68.868 0.113 0.000 1.109 202 T HN 0.256 nan 8.240 nan 0.000 0.514 203 E N 0.934 121.169 120.200 0.059 0.000 2.315 203 E HA -0.242 4.108 4.350 0.001 0.000 0.215 203 E C 0.939 177.554 176.600 0.025 0.000 1.069 203 E CA 1.982 58.408 56.400 0.043 0.000 0.859 203 E CB -0.479 29.246 29.700 0.041 0.000 0.743 203 E HN 0.631 nan 8.360 nan 0.000 0.469 204 T N -1.325 113.231 114.554 0.002 0.000 2.766 204 T HA 0.214 4.564 4.350 0.001 0.000 0.295 204 T C -0.101 174.530 174.700 -0.115 0.000 1.024 204 T CA 0.167 62.224 62.100 -0.072 0.000 1.018 204 T CB 0.333 69.096 68.868 -0.175 0.000 1.002 204 T HN 0.435 nan 8.240 nan 0.000 0.532 205 N N 0.273 118.857 118.700 -0.193 0.000 2.286 205 N HA 0.356 5.096 4.740 0.001 0.000 0.245 205 N C -1.503 173.921 175.510 -0.143 0.000 1.363 205 N CA -0.335 52.597 53.050 -0.196 0.000 0.822 205 N CB 0.986 39.222 38.487 -0.418 0.000 1.345 205 N HN 0.275 nan 8.380 nan 0.000 0.494 206 V N 0.639 120.378 119.914 -0.291 0.000 2.969 206 V HA 0.601 4.722 4.120 0.001 0.000 0.304 206 V C -1.637 174.141 176.094 -0.526 0.000 1.192 206 V CA -0.698 61.513 62.300 -0.149 0.000 0.962 206 V CB 2.248 34.033 31.823 -0.063 0.000 1.045 206 V HN 0.053 nan 8.190 nan 0.000 0.428 207 F N 3.807 123.730 119.950 -0.046 0.000 2.631 207 F HA 0.734 5.261 4.527 0.001 0.000 0.308 207 F C -2.535 173.239 175.800 -0.044 0.000 1.097 207 F CA -1.803 56.170 58.000 -0.045 0.000 0.952 207 F CB 2.883 41.839 39.000 -0.074 0.000 1.307 207 F HN 0.291 nan 8.300 nan 0.000 0.450 208 P HA 0.219 nan 4.420 nan 0.000 0.285 208 P C -1.407 175.916 177.300 0.038 0.000 1.269 208 P CA -0.724 62.499 63.100 0.204 0.000 0.844 208 P CB 0.959 32.722 31.700 0.104 0.000 1.094 209 Q N 1.322 121.150 119.800 0.047 0.000 2.271 209 Q HA 0.068 4.408 4.340 0.001 0.000 0.273 209 Q C 0.006 176.059 176.000 0.088 0.000 1.051 209 Q CA 0.779 56.586 55.803 0.007 0.000 0.901 209 Q CB -0.524 28.235 28.738 0.034 0.000 1.174 209 Q HN 0.454 nan 8.270 nan 0.000 0.385 210 D N 1.205 121.644 120.400 0.065 0.000 2.704 210 D HA -0.226 4.415 4.640 0.001 0.000 0.232 210 D C -0.045 176.402 176.300 0.245 0.000 1.183 210 D CA 0.963 55.067 54.000 0.174 0.000 0.647 210 D CB -0.804 40.137 40.800 0.234 0.000 1.013 210 D HN 0.442 nan 8.370 nan 0.000 0.415 211 K N 0.104 120.599 120.400 0.158 0.000 2.126 211 K HA 0.415 4.736 4.320 0.001 0.000 0.257 211 K C 0.166 176.887 176.600 0.202 0.000 1.007 211 K CA -0.739 55.635 56.287 0.145 0.000 0.928 211 K CB 1.119 33.619 32.500 -0.001 0.000 1.013 211 K HN 0.050 nan 8.250 nan 0.000 0.473 212 V N 1.149 121.174 119.914 0.185 0.000 2.384 212 V HA 0.577 4.698 4.120 0.001 0.000 0.287 212 V C -0.385 175.770 176.094 0.101 0.000 1.020 212 V CA -0.809 61.599 62.300 0.180 0.000 0.850 212 V CB 1.041 32.943 31.823 0.131 0.000 0.987 212 V HN 0.459 nan 8.190 nan 0.000 0.436 213 V N 3.366 123.326 119.914 0.077 0.000 3.155 213 V HA 0.576 4.696 4.120 0.001 0.000 0.313 213 V C -0.170 175.921 176.094 -0.005 0.000 1.162 213 V CA -1.129 61.185 62.300 0.024 0.000 1.048 213 V CB 2.132 33.954 31.823 -0.001 0.000 1.092 213 V HN 0.835 nan 8.190 nan 0.000 0.447 214 L N 2.069 123.273 121.223 -0.032 0.000 2.319 214 L HA 0.588 4.929 4.340 0.001 0.000 0.280 214 L C 0.964 177.745 176.870 -0.149 0.000 1.099 214 L CA -0.260 54.534 54.840 -0.076 0.000 0.828 214 L CB 1.190 43.221 42.059 -0.047 0.000 1.150 214 L HN 0.945 nan 8.230 nan 0.000 0.442 215 A N 3.947 126.585 122.820 -0.304 0.000 2.594 215 A HA 0.402 4.722 4.320 0.001 0.000 0.291 215 A C 1.113 178.528 177.584 -0.283 0.000 1.374 215 A CA 0.806 52.605 52.037 -0.397 0.000 1.025 215 A CB -0.983 17.486 19.000 -0.884 0.000 1.072 215 A HN 1.139 nan 8.150 nan 0.000 0.555 216 G N 0.920 109.633 108.800 -0.144 0.000 2.198 216 G HA2 -0.064 3.897 3.960 0.001 0.000 0.156 216 G HA3 -0.064 3.897 3.960 0.001 0.000 0.156 216 G C 0.398 175.270 174.900 -0.048 0.000 1.012 216 G CA 0.172 45.224 45.100 -0.080 0.000 0.692 216 G HN 1.453 nan 8.290 nan 0.000 0.492 217 S N 0.661 116.331 115.700 -0.050 0.000 2.564 217 S HA 0.442 4.912 4.470 0.001 0.000 0.278 217 S C 0.749 175.344 174.600 -0.009 0.000 1.333 217 S CA -0.383 57.801 58.200 -0.027 0.000 1.048 217 S CB 0.319 63.501 63.200 -0.030 0.000 0.900 217 S HN 0.328 nan 8.310 nan 0.000 0.505 218 N N 3.215 121.918 118.700 0.006 0.000 2.454 218 N HA 0.272 5.012 4.740 0.001 0.000 0.254 218 N C -0.274 175.252 175.510 0.027 0.000 1.228 218 N CA 0.456 53.523 53.050 0.029 0.000 0.900 218 N CB 0.534 39.045 38.487 0.041 0.000 1.089 218 N HN 0.755 nan 8.380 nan 0.000 0.449 219 M N 0.406 120.034 119.600 0.045 0.000 2.490 219 M HA 0.191 4.672 4.480 0.001 0.000 0.286 219 M C -1.728 174.582 176.300 0.017 0.000 1.185 219 M CA -0.429 54.881 55.300 0.017 0.000 0.912 219 M CB 1.848 34.442 32.600 -0.010 0.000 1.744 219 M HN 0.316 nan 8.290 nan 0.000 0.494 220 T N 4.601 119.138 114.554 -0.028 0.000 2.840 220 T HA 0.673 5.024 4.350 0.001 0.000 0.287 220 T C -0.731 173.932 174.700 -0.062 0.000 0.991 220 T CA -0.540 61.501 62.100 -0.098 0.000 0.964 220 T CB 0.941 69.685 68.868 -0.206 0.000 0.954 220 T HN 0.556 nan 8.240 nan 0.000 0.438 221 I N 0.453 120.998 120.570 -0.042 0.000 2.863 221 I HA 0.959 5.130 4.170 0.001 0.000 0.311 221 I C 0.038 176.201 176.117 0.077 0.000 1.026 221 I CA -0.955 60.356 61.300 0.019 0.000 1.077 221 I CB 1.366 39.359 38.000 -0.012 0.000 1.262 221 I HN 0.818 nan 8.210 nan 0.000 0.461 222 c N 1.458 120.152 118.600 0.156 0.000 3.285 222 c HA 0.894 5.465 4.570 0.001 0.000 0.320 222 c C -0.258 174.008 174.090 0.294 0.000 1.411 222 c CA -0.952 55.465 56.329 0.148 0.000 1.429 222 c CB 1.081 43.602 42.510 0.017 0.000 1.812 222 c HN 1.266 nan 8.230 nan 0.000 0.454 223 C N 1.986 121.295 119.300 0.014 0.000 2.719 223 C HA 0.830 5.291 4.460 0.001 0.000 0.327 223 C C -0.245 174.634 174.990 -0.186 0.000 1.238 223 C CA -0.498 58.475 59.018 -0.075 0.000 1.727 223 C CB 1.675 29.073 27.740 -0.571 0.000 2.256 223 C HN 0.982 nan 8.230 nan 0.000 0.489 224 M N 4.036 123.502 119.600 -0.224 0.000 2.952 224 M HA 0.209 4.690 4.480 0.001 0.000 0.259 224 M C -0.057 176.040 176.300 -0.339 0.000 1.306 224 M CA 0.241 55.397 55.300 -0.241 0.000 0.626 224 M CB 0.361 32.848 32.600 -0.189 0.000 1.423 224 M HN 0.708 nan 8.290 nan 0.000 0.459 225 S N 1.839 117.337 115.700 -0.337 0.000 2.489 225 S HA 0.435 4.906 4.470 0.001 0.000 0.277 225 S C -1.561 172.946 174.600 -0.156 0.000 1.230 225 S CA -1.098 56.917 58.200 -0.308 0.000 1.053 225 S CB 1.114 64.191 63.200 -0.205 0.000 0.955 225 S HN 0.262 nan 8.310 nan 0.000 0.488 226 P HA 0.094 nan 4.420 nan 0.000 0.226 226 P C 0.453 177.745 177.300 -0.014 0.000 1.161 226 P CA 0.453 63.527 63.100 -0.042 0.000 0.804 226 P CB 0.038 31.726 31.700 -0.021 0.000 0.829 227 T N -1.164 113.400 114.554 0.017 0.000 2.929 227 T HA 0.581 4.932 4.350 0.001 0.000 0.284 227 T C 0.020 174.728 174.700 0.013 0.000 1.014 227 T CA -0.621 61.496 62.100 0.028 0.000 1.051 227 T CB 0.276 69.179 68.868 0.059 0.000 1.028 227 T HN 0.009 nan 8.240 nan 0.000 0.485 228 K N 2.509 122.911 120.400 0.003 0.000 2.550 228 K HA 0.307 4.627 4.320 0.001 0.000 0.280 228 K C 0.185 176.783 176.600 -0.004 0.000 0.987 228 K CA 0.089 56.370 56.287 -0.009 0.000 1.048 228 K CB -0.497 32.005 32.500 0.004 0.000 0.879 228 K HN 0.660 nan 8.250 nan 0.000 0.491 229 V N 5.314 125.208 119.914 -0.034 0.000 2.356 229 V HA 0.090 4.211 4.120 0.001 0.000 0.258 229 V C 1.664 177.753 176.094 -0.009 0.000 1.065 229 V CA -0.124 62.146 62.300 -0.051 0.000 0.935 229 V CB 0.294 32.020 31.823 -0.163 0.000 1.061 229 V HN 0.854 nan 8.190 nan 0.000 0.484 230 L N 3.987 125.221 121.223 0.019 0.000 1.993 230 L HA 0.049 4.390 4.340 0.001 0.000 0.206 230 L C 1.278 178.173 176.870 0.041 0.000 1.074 230 L CA 1.727 56.585 54.840 0.030 0.000 0.746 230 L CB 0.299 42.376 42.059 0.031 0.000 0.896 230 L HN 0.739 nan 8.230 nan 0.000 0.435 231 S N -3.182 112.563 115.700 0.074 0.000 2.761 231 S HA 0.643 5.114 4.470 0.001 0.000 0.290 231 S C -1.193 173.563 174.600 0.261 0.000 1.222 231 S CA -0.217 58.053 58.200 0.117 0.000 0.954 231 S CB 1.083 64.335 63.200 0.086 0.000 1.281 231 S HN 0.347 nan 8.310 nan 0.000 0.527 232 G N 0.552 109.516 108.800 0.274 0.000 2.703 232 G HA2 0.629 4.590 3.960 0.001 0.000 0.294 232 G HA3 0.629 4.590 3.960 0.001 0.000 0.294 232 G C -2.153 172.807 174.900 0.100 0.000 1.451 232 G CA -0.548 44.722 45.100 0.283 0.000 0.869 232 G HN 0.807 nan 8.290 nan 0.000 0.516 233 Q N -0.751 119.043 119.800 -0.011 0.000 2.511 233 Q HA 0.745 5.085 4.340 0.001 0.000 0.289 233 Q C -1.730 174.228 176.000 -0.070 0.000 1.021 233 Q CA -1.085 54.704 55.803 -0.023 0.000 0.785 233 Q CB 2.523 31.253 28.738 -0.013 0.000 1.472 233 Q HN 0.360 nan 8.270 nan 0.000 0.411 234 I N 0.998 121.538 120.570 -0.050 0.000 2.411 234 I HA 0.444 4.614 4.170 0.001 0.000 0.284 234 I C 0.514 176.602 176.117 -0.047 0.000 1.012 234 I CA 0.074 61.336 61.300 -0.063 0.000 1.119 234 I CB 1.760 39.730 38.000 -0.051 0.000 1.261 234 I HN 0.915 nan 8.210 nan 0.000 0.448 235 G N 5.425 114.192 108.800 -0.056 0.000 2.386 235 G HA2 -0.360 3.601 3.960 0.001 0.000 0.295 235 G HA3 -0.360 3.601 3.960 0.001 0.000 0.295 235 G C 0.702 175.585 174.900 -0.028 0.000 0.979 235 G CA 0.855 45.929 45.100 -0.042 0.000 1.193 235 G HN 1.014 nan 8.290 nan 0.000 0.508 236 N N -1.846 116.838 118.700 -0.027 0.000 2.714 236 N HA -0.195 4.545 4.740 0.001 0.000 0.250 236 N C -0.007 175.497 175.510 -0.009 0.000 1.117 236 N CA 1.291 54.331 53.050 -0.016 0.000 0.719 236 N CB -0.606 37.873 38.487 -0.014 0.000 1.081 236 N HN 0.598 nan 8.380 nan 0.000 0.557 237 T N 1.637 116.185 114.554 -0.010 0.000 2.842 237 T HA 0.404 4.754 4.350 0.001 0.000 0.308 237 T C 0.213 174.914 174.700 0.002 0.000 1.041 237 T CA -0.602 61.496 62.100 -0.002 0.000 0.964 237 T CB 0.818 69.685 68.868 -0.002 0.000 0.972 237 T HN 0.195 nan 8.240 nan 0.000 0.460 238 L N 2.767 123.996 121.223 0.009 0.000 2.367 238 L HA 0.674 5.015 4.340 0.001 0.000 0.275 238 L C 0.482 177.368 176.870 0.028 0.000 1.129 238 L CA -0.710 54.143 54.840 0.021 0.000 0.839 238 L CB 0.235 42.307 42.059 0.023 0.000 1.133 238 L HN 0.215 nan 8.230 nan 0.000 0.453 239 R N 2.543 123.069 120.500 0.042 0.000 2.888 239 R HA 0.598 4.938 4.340 0.001 0.000 0.266 239 R C -2.596 173.744 176.300 0.066 0.000 1.020 239 R CA -2.083 54.047 56.100 0.049 0.000 0.963 239 R CB 1.562 31.891 30.300 0.049 0.000 1.197 239 R HN 0.463 nan 8.270 nan 0.000 0.481 240 P HA 0.162 nan 4.420 nan 0.000 0.271 240 P C -0.341 177.000 177.300 0.068 0.000 1.216 240 P CA -0.310 62.822 63.100 0.055 0.000 0.771 240 P CB 0.451 32.180 31.700 0.049 0.000 0.864 241 L N 1.985 123.235 121.223 0.045 0.000 2.436 241 L HA 0.483 4.824 4.340 0.001 0.000 0.265 241 L C 0.431 177.319 176.870 0.029 0.000 1.168 241 L CA -0.351 54.507 54.840 0.031 0.000 0.815 241 L CB -0.125 41.943 42.059 0.015 0.000 1.109 241 L HN 0.188 nan 8.230 nan 0.000 0.462 242 I N 0.966 121.552 120.570 0.026 0.000 2.563 242 I HA 0.190 4.360 4.170 0.001 0.000 0.276 242 I C -0.034 176.109 176.117 0.045 0.000 1.074 242 I CA -0.236 61.087 61.300 0.038 0.000 1.124 242 I CB 0.397 38.422 38.000 0.042 0.000 1.225 242 I HN 0.732 nan 8.210 nan 0.000 0.482 243 H N 5.766 124.791 119.070 -0.076 0.000 3.286 243 H HA 0.065 4.621 4.556 0.001 0.000 0.245 243 H C 0.831 176.090 175.328 -0.115 0.000 0.932 243 H CA 0.127 56.116 56.048 -0.097 0.000 1.407 243 H CB 1.262 30.991 29.762 -0.054 0.000 1.540 243 H HN 0.544 nan 8.280 nan 0.000 0.516 244 L N 4.419 125.524 121.223 -0.196 0.000 2.357 244 L HA -0.023 4.318 4.340 0.001 0.000 0.211 244 L C 0.350 177.060 176.870 -0.266 0.000 1.075 244 L CA 0.537 55.206 54.840 -0.284 0.000 0.830 244 L CB 0.135 41.908 42.059 -0.477 0.000 0.996 244 L HN 0.624 nan 8.230 nan 0.000 0.467 245 Y N -2.479 117.733 120.300 -0.147 0.000 1.813 245 Y HA 0.335 4.886 4.550 0.001 0.000 0.104 245 Y C 0.724 176.510 175.900 -0.191 0.000 1.646 245 Y CA -0.704 57.311 58.100 -0.142 0.000 1.405 245 Y CB -0.623 37.773 38.460 -0.107 0.000 2.971 245 Y HN -0.287 nan 8.280 nan 0.000 0.193 246 G N 1.173 110.192 108.800 0.364 0.000 2.741 246 G HA2 0.463 4.424 3.960 0.001 0.000 0.301 246 G HA3 0.463 4.424 3.960 0.001 0.000 0.301 246 G C -0.252 174.653 174.900 0.009 0.000 0.834 246 G CA 0.677 45.847 45.100 0.116 0.000 1.683 246 G HN 0.638 nan 8.290 nan 0.000 0.506 247 Q N -0.297 119.407 119.800 -0.159 0.000 2.858 247 Q HA -0.260 4.080 4.340 0.001 0.000 0.191 247 Q C 1.595 177.423 176.000 -0.287 0.000 2.796 247 Q CA 2.420 58.096 55.803 -0.212 0.000 0.359 247 Q CB -1.963 26.700 28.738 -0.126 0.000 0.330 247 Q HN 0.996 nan 8.270 nan 0.000 0.511 248 T N -0.510 113.862 114.554 -0.303 0.000 2.866 248 T HA 0.375 4.726 4.350 0.001 0.000 0.293 248 T C 0.669 175.083 174.700 -0.477 0.000 1.005 248 T CA 0.147 62.004 62.100 -0.405 0.000 1.162 248 T CB 0.299 68.917 68.868 -0.416 0.000 0.968 248 T HN 0.776 nan 8.240 nan 0.000 0.530 249 V N 0.155 119.816 119.914 -0.422 0.000 3.271 249 V HA 1.074 5.194 4.120 0.001 0.000 0.305 249 V C -0.220 175.715 176.094 -0.265 0.000 1.303 249 V CA -1.007 61.095 62.300 -0.329 0.000 1.038 249 V CB 1.122 32.788 31.823 -0.262 0.000 1.197 249 V HN 1.479 nan 8.190 nan 0.000 0.478 250 A N -0.250 122.482 122.820 -0.146 0.000 2.610 250 A HA 0.873 5.194 4.320 0.001 0.000 0.291 250 A C -1.447 176.168 177.584 0.052 0.000 1.086 250 A CA -0.600 51.424 52.037 -0.022 0.000 0.677 250 A CB 1.470 20.416 19.000 -0.091 0.000 1.278 250 A HN 0.971 nan 8.150 nan 0.000 0.414 251 I N 1.708 122.337 120.570 0.098 0.000 2.498 251 I HA 0.317 4.487 4.170 0.001 0.000 0.290 251 I C -0.726 175.385 176.117 -0.010 0.000 1.032 251 I CA -0.623 60.724 61.300 0.079 0.000 1.073 251 I CB 1.865 39.944 38.000 0.131 0.000 1.251 251 I HN 0.631 nan 8.210 nan 0.000 0.426 252 H N 5.974 125.072 119.070 0.047 0.000 2.800 252 H HA 0.317 4.874 4.556 0.001 0.000 0.291 252 H C -0.449 174.891 175.328 0.019 0.000 1.076 252 H CA -0.241 55.825 56.048 0.030 0.000 1.452 252 H CB 1.361 31.140 29.762 0.028 0.000 1.461 252 H HN 0.293 nan 8.280 nan 0.000 0.488 253 I N 4.769 125.409 120.570 0.117 0.000 2.472 253 I HA -0.029 4.142 4.170 0.001 0.000 0.290 253 I C 1.483 177.633 176.117 0.055 0.000 1.016 253 I CA -0.180 61.156 61.300 0.059 0.000 1.348 253 I CB 0.835 38.844 38.000 0.015 0.000 1.417 253 I HN 0.456 nan 8.210 nan 0.000 0.521 254 L N 3.446 124.689 121.223 0.033 0.000 2.460 254 L HA 0.256 4.596 4.340 0.001 0.000 0.166 254 L C 0.545 177.423 176.870 0.013 0.000 1.296 254 L CA -0.155 54.699 54.840 0.023 0.000 2.800 254 L CB -0.471 41.598 42.059 0.017 0.000 2.761 254 L HN 0.580 nan 8.230 nan 0.000 0.936 255 N N 0.188 118.892 118.700 0.006 0.000 2.521 255 N HA 0.267 5.008 4.740 0.001 0.000 0.236 255 N C -0.407 175.098 175.510 -0.009 0.000 1.067 255 N CA -0.346 52.703 53.050 -0.002 0.000 0.939 255 N CB 0.231 38.719 38.487 0.002 0.000 1.201 255 N HN 0.519 nan 8.380 nan 0.000 0.511 256 I N 4.732 125.291 120.570 -0.019 0.000 2.618 256 I HA 0.191 4.361 4.170 0.001 0.000 0.284 256 I C -1.863 174.234 176.117 -0.032 0.000 1.146 256 I CA -1.654 59.631 61.300 -0.026 0.000 1.425 256 I CB 0.692 38.672 38.000 -0.032 0.000 1.383 256 I HN 0.478 nan 8.210 nan 0.000 0.562 257 P HA -0.044 nan 4.420 nan 0.000 0.274 257 P C -0.383 176.908 177.300 -0.016 0.000 1.246 257 P CA -0.238 62.856 63.100 -0.010 0.000 0.795 257 P CB 0.945 32.646 31.700 0.002 0.000 1.006 258 V N 1.810 121.729 119.914 0.008 0.000 2.519 258 V HA -0.020 4.101 4.120 0.001 0.000 0.258 258 V C 0.680 176.803 176.094 0.047 0.000 0.989 258 V CA 0.377 62.702 62.300 0.042 0.000 1.170 258 V CB -1.825 30.089 31.823 0.152 0.000 1.066 258 V HN 0.734 nan 8.190 nan 0.000 0.469 259 S N 5.476 121.193 115.700 0.028 0.000 2.569 259 S HA 0.209 4.680 4.470 0.001 0.000 0.274 259 S C 0.295 174.934 174.600 0.065 0.000 1.353 259 S CA 0.159 58.369 58.200 0.018 0.000 1.023 259 S CB 1.158 64.345 63.200 -0.022 0.000 0.876 259 S HN 1.034 nan 8.310 nan 0.000 0.540 260 E N 1.774 122.006 120.200 0.053 0.000 3.362 260 E HA 0.260 4.611 4.350 0.001 0.000 0.253 260 E C 0.509 177.187 176.600 0.131 0.000 0.962 260 E CA -0.566 55.886 56.400 0.087 0.000 1.399 260 E CB -0.477 29.259 29.700 0.060 0.000 1.668 260 E HN 0.546 nan 8.360 nan 0.000 0.563 261 N N 0.565 119.336 118.700 0.118 0.000 2.036 261 N HA -0.175 4.565 4.740 0.001 0.000 0.195 261 N C 1.744 177.363 175.510 0.182 0.000 1.037 261 N CA 2.192 55.328 53.050 0.144 0.000 0.855 261 N CB -0.732 37.814 38.487 0.098 0.000 1.033 261 N HN 0.452 nan 8.380 nan 0.000 0.423 262 S N -0.816 114.943 115.700 0.099 0.000 2.453 262 S HA 0.197 4.668 4.470 0.001 0.000 0.231 262 S C 0.656 175.236 174.600 -0.032 0.000 1.005 262 S CA 0.843 59.081 58.200 0.063 0.000 0.949 262 S CB -0.577 62.629 63.200 0.011 0.000 0.774 262 S HN 0.691 nan 8.310 nan 0.000 0.510 263 G N -0.408 108.322 108.800 -0.117 0.000 2.650 263 G HA2 -0.117 3.843 3.960 0.001 0.000 0.686 263 G HA3 -0.117 3.843 3.960 0.001 0.000 0.686 263 G C -0.575 174.153 174.900 -0.285 0.000 1.205 263 G CA -0.470 44.343 45.100 -0.479 0.000 0.781 263 G HN 0.263 nan 8.290 nan 0.000 0.648 264 T N 3.086 117.474 114.554 -0.276 0.000 2.749 264 T HA 0.421 4.772 4.350 0.001 0.000 0.295 264 T C 0.542 175.123 174.700 -0.198 0.000 0.936 264 T CA -0.479 61.516 62.100 -0.175 0.000 1.060 264 T CB 0.333 69.128 68.868 -0.122 0.000 0.904 264 T HN 0.556 nan 8.240 nan 0.000 0.500 265 N N 3.847 122.453 118.700 -0.157 0.000 2.444 265 N HA 0.342 5.082 4.740 0.001 0.000 0.271 265 N C -0.474 174.943 175.510 -0.155 0.000 1.069 265 N CA -0.303 52.652 53.050 -0.157 0.000 0.965 265 N CB 1.120 39.532 38.487 -0.125 0.000 1.092 265 N HN 0.508 nan 8.380 nan 0.000 0.476 266 I N 2.015 122.469 120.570 -0.193 0.000 2.406 266 I HA 0.492 4.662 4.170 0.001 0.000 0.290 266 I C 0.256 176.182 176.117 -0.318 0.000 0.999 266 I CA -1.051 60.106 61.300 -0.238 0.000 1.124 266 I CB 1.099 38.930 38.000 -0.282 0.000 1.289 266 I HN 0.405 nan 8.210 nan 0.000 0.441 267 I N 1.576 121.967 120.570 -0.297 0.000 2.740 267 I HA 0.674 4.844 4.170 0.001 0.000 0.303 267 I C -1.307 174.636 176.117 -0.290 0.000 1.044 267 I CA -0.595 60.543 61.300 -0.270 0.000 1.064 267 I CB 1.942 39.871 38.000 -0.118 0.000 1.249 267 I HN 0.322 nan 8.210 nan 0.000 0.433 268 F N 3.562 123.527 119.950 0.026 0.000 2.483 268 F HA 0.729 5.257 4.527 0.001 0.000 0.329 268 F C -0.417 175.404 175.800 0.035 0.000 1.064 268 F CA -1.033 56.998 58.000 0.051 0.000 0.986 268 F CB 2.070 41.135 39.000 0.108 0.000 1.218 268 F HN 0.280 nan 8.300 nan 0.000 0.484 269 I N 0.465 121.187 120.570 0.255 0.000 2.512 269 I HA 0.345 4.515 4.170 0.001 0.000 0.287 269 I C 0.011 176.178 176.117 0.084 0.000 1.069 269 I CA -0.455 60.908 61.300 0.105 0.000 1.056 269 I CB 1.707 39.745 38.000 0.064 0.000 1.229 269 I HN 0.600 nan 8.210 nan 0.000 0.429 270 T N -0.909 113.672 114.554 0.044 0.000 2.906 270 T HA 0.312 4.663 4.350 0.001 0.000 0.283 270 T C 0.627 175.335 174.700 0.013 0.000 1.098 270 T CA -0.216 61.911 62.100 0.045 0.000 0.960 270 T CB 0.886 69.798 68.868 0.073 0.000 1.776 270 T HN 0.534 nan 8.240 nan 0.000 0.594 271 D N -0.305 120.102 120.400 0.011 0.000 2.305 271 D HA 0.027 4.668 4.640 0.001 0.000 0.206 271 D C 1.076 177.368 176.300 -0.013 0.000 0.974 271 D CA 0.565 54.566 54.000 0.001 0.000 0.871 271 D CB 0.153 40.957 40.800 0.006 0.000 0.947 271 D HN 0.398 nan 8.370 nan 0.000 0.516 272 D N -0.395 119.992 120.400 -0.022 0.000 2.490 272 D HA 0.034 4.675 4.640 0.001 0.000 0.244 272 D C 0.197 176.445 176.300 -0.086 0.000 0.979 272 D CA 0.519 54.496 54.000 -0.039 0.000 0.924 272 D CB 0.959 41.747 40.800 -0.020 0.000 1.075 272 D HN 0.082 nan 8.370 nan 0.000 0.488 273 D N -0.905 119.406 120.400 -0.148 0.000 2.579 273 D HA 0.373 5.014 4.640 0.001 0.000 0.257 273 D C -1.449 174.625 176.300 -0.378 0.000 1.176 273 D CA -0.659 53.163 54.000 -0.298 0.000 0.914 273 D CB 2.682 43.211 40.800 -0.453 0.000 1.431 273 D HN -0.305 nan 8.370 nan 0.000 0.454 274 V N 1.807 121.455 119.914 -0.444 0.000 2.483 274 V HA 0.469 4.589 4.120 0.001 0.000 0.297 274 V C -1.049 174.824 176.094 -0.368 0.000 1.027 274 V CA -0.781 61.329 62.300 -0.316 0.000 0.855 274 V CB 1.004 32.738 31.823 -0.148 0.000 0.995 274 V HN 0.435 nan 8.190 nan 0.000 0.424 275 Y N 2.384 122.713 120.300 0.050 0.000 2.331 275 Y HA 0.820 5.371 4.550 0.001 0.000 0.338 275 Y C 0.806 176.690 175.900 -0.027 0.000 0.992 275 Y CA -0.406 57.715 58.100 0.035 0.000 1.121 275 Y CB 2.356 40.882 38.460 0.110 0.000 1.184 275 Y HN 0.827 nan 8.280 nan 0.000 0.469 276 G N 0.753 109.575 108.800 0.037 0.000 2.694 276 G HA2 0.678 4.639 3.960 0.001 0.000 0.290 276 G HA3 0.678 4.639 3.960 0.001 0.000 0.290 276 G C -1.412 173.408 174.900 -0.132 0.000 1.386 276 G CA -0.795 44.242 45.100 -0.106 0.000 0.872 276 G HN 0.399 nan 8.290 nan 0.000 0.475 277 T N -0.404 114.036 114.554 -0.190 0.000 2.956 277 T HA 0.513 4.863 4.350 0.001 0.000 0.312 277 T C -0.475 174.117 174.700 -0.180 0.000 1.151 277 T CA -0.291 61.706 62.100 -0.171 0.000 1.024 277 T CB 1.947 70.706 68.868 -0.181 0.000 1.140 277 T HN 0.445 nan 8.240 nan 0.000 0.473 278 V N 2.467 122.278 119.914 -0.173 0.000 2.863 278 V HA 0.725 4.846 4.120 0.001 0.000 0.307 278 V C -0.314 175.624 176.094 -0.259 0.000 1.061 278 V CA -0.468 61.682 62.300 -0.250 0.000 1.024 278 V CB 1.796 33.430 31.823 -0.315 0.000 1.049 278 V HN 0.661 nan 8.190 nan 0.000 0.471 279 V N 3.058 122.758 119.914 -0.356 0.000 2.655 279 V HA 0.427 4.547 4.120 0.001 0.000 0.301 279 V C -1.164 174.728 176.094 -0.336 0.000 1.082 279 V CA -0.471 61.683 62.300 -0.244 0.000 0.899 279 V CB 1.791 33.535 31.823 -0.131 0.000 1.014 279 V HN 0.670 nan 8.190 nan 0.000 0.429 280 F N 3.804 123.752 119.950 -0.004 0.000 2.391 280 F HA 0.721 5.248 4.527 0.001 0.000 0.359 280 F C 0.676 176.474 175.800 -0.002 0.000 1.122 280 F CA -0.302 57.701 58.000 0.005 0.000 1.120 280 F CB 1.477 40.490 39.000 0.022 0.000 1.142 280 F HN 0.540 nan 8.300 nan 0.000 0.483 281 A N 3.106 126.006 122.820 0.134 0.000 2.287 281 A HA 0.855 5.176 4.320 0.001 0.000 0.317 281 A C -0.062 177.561 177.584 0.065 0.000 1.220 281 A CA -0.311 51.761 52.037 0.059 0.000 0.835 281 A CB 0.645 19.638 19.000 -0.012 0.000 1.180 281 A HN 0.882 nan 8.150 nan 0.000 0.500 282 G N 0.538 109.365 108.800 0.045 0.000 2.695 282 G HA2 0.575 4.536 3.960 0.001 0.000 0.290 282 G HA3 0.575 4.536 3.960 0.001 0.000 0.290 282 G C -1.597 173.331 174.900 0.046 0.000 1.410 282 G CA -0.541 44.612 45.100 0.088 0.000 0.844 282 G HN 0.469 nan 8.290 nan 0.000 0.478 283 Y N 0.792 121.123 120.300 0.052 0.000 2.310 283 Y HA 0.459 5.010 4.550 0.001 0.000 0.326 283 Y C -1.621 174.301 175.900 0.038 0.000 1.151 283 Y CA -2.621 55.505 58.100 0.043 0.000 1.195 283 Y CB 1.065 39.550 38.460 0.042 0.000 1.210 283 Y HN 0.241 nan 8.280 nan 0.000 0.483 284 P HA 0.070 nan 4.420 nan 0.000 0.272 284 P C -2.588 174.777 177.300 0.108 0.000 1.223 284 P CA -1.347 61.816 63.100 0.106 0.000 0.784 284 P CB 0.310 32.055 31.700 0.076 0.000 0.923 285 P HA 0.052 nan 4.420 nan 0.000 0.268 285 P C -0.195 177.154 177.300 0.082 0.000 1.205 285 P CA 0.233 63.376 63.100 0.070 0.000 0.771 285 P CB 0.327 32.037 31.700 0.017 0.000 0.858 286 D N 1.555 122.006 120.400 0.086 0.000 2.417 286 D HA -0.014 4.627 4.640 0.001 0.000 0.250 286 D C -0.029 176.342 176.300 0.117 0.000 1.166 286 D CA -0.083 53.961 54.000 0.074 0.000 0.881 286 D CB 0.442 41.265 40.800 0.038 0.000 1.164 286 D HN 0.001 nan 8.370 nan 0.000 0.467 287 V N 6.672 126.639 119.914 0.089 0.000 2.644 287 V HA -0.020 4.100 4.120 0.001 0.000 0.303 287 V C -1.928 174.230 176.094 0.106 0.000 1.058 287 V CA -0.966 61.389 62.300 0.090 0.000 1.228 287 V CB 0.146 32.000 31.823 0.053 0.000 0.861 287 V HN 0.633 nan 8.190 nan 0.000 0.484 288 P HA -0.079 nan 4.420 nan 0.000 0.260 288 P C 0.128 177.481 177.300 0.088 0.000 1.147 288 P CA 0.654 63.820 63.100 0.111 0.000 0.758 288 P CB 0.397 32.017 31.700 -0.134 0.000 0.744 289 Q N 3.223 123.088 119.800 0.108 0.000 1.596 289 Q HA 0.012 4.353 4.340 0.001 0.000 0.516 289 Q C 1.088 177.121 176.000 0.055 0.000 0.916 289 Q CA 0.999 56.835 55.803 0.055 0.000 0.888 289 Q CB -0.716 28.032 28.738 0.018 0.000 1.242 289 Q HN 0.432 nan 8.270 nan 0.000 0.383 290 K N 1.964 122.388 120.400 0.040 0.000 2.111 290 K HA 0.279 4.600 4.320 0.001 0.000 0.249 290 K C -0.272 176.370 176.600 0.070 0.000 1.157 290 K CA -0.011 56.299 56.287 0.039 0.000 1.048 290 K CB -1.314 31.194 32.500 0.012 0.000 1.498 290 K HN 0.225 nan 8.250 nan 0.000 0.344 291 L N 0.847 122.116 121.223 0.077 0.000 2.282 291 L HA 0.705 5.045 4.340 0.001 0.000 0.288 291 L C -0.196 176.714 176.870 0.067 0.000 1.033 291 L CA -0.122 54.771 54.840 0.089 0.000 0.807 291 L CB 2.069 44.159 42.059 0.052 0.000 1.209 291 L HN 0.341 nan 8.230 nan 0.000 0.423 292 S N 4.683 120.428 115.700 0.075 0.000 2.706 292 S HA 0.477 4.948 4.470 0.001 0.000 0.270 292 S C -1.003 173.633 174.600 0.060 0.000 1.163 292 S CA -0.611 57.630 58.200 0.069 0.000 1.042 292 S CB 0.233 63.493 63.200 0.099 0.000 1.079 292 S HN 0.793 nan 8.310 nan 0.000 0.474 293 c N 4.625 123.245 118.600 0.032 0.000 2.452 293 c HA 0.755 5.325 4.570 0.001 0.000 0.379 293 c C 0.574 174.672 174.090 0.014 0.000 1.275 293 c CA -0.516 55.811 56.329 -0.003 0.000 2.056 293 c CB -0.444 42.034 42.510 -0.054 0.000 2.506 293 c HN 0.943 nan 8.230 nan 0.000 0.560 294 E N 0.416 120.621 120.200 0.008 0.000 2.437 294 E HA 0.771 5.122 4.350 0.001 0.000 0.253 294 E C -0.918 175.649 176.600 -0.055 0.000 0.905 294 E CA -0.729 55.678 56.400 0.011 0.000 0.871 294 E CB 1.492 31.266 29.700 0.124 0.000 1.649 294 E HN 0.537 nan 8.360 nan 0.000 0.422 295 T N -1.175 113.325 114.554 -0.090 0.000 3.041 295 T HA 0.241 4.592 4.350 0.001 0.000 0.321 295 T C -0.564 174.042 174.700 -0.156 0.000 1.184 295 T CA -0.555 61.481 62.100 -0.107 0.000 1.050 295 T CB 1.007 69.853 68.868 -0.037 0.000 1.159 295 T HN 0.610 nan 8.240 nan 0.000 0.469 296 H N 2.680 121.723 119.070 -0.045 0.000 2.388 296 H HA 0.160 4.716 4.556 0.001 0.000 0.304 296 H C 0.522 175.800 175.328 -0.084 0.000 1.049 296 H CA 0.909 56.862 56.048 -0.159 0.000 1.371 296 H CB 0.401 29.856 29.762 -0.512 0.000 1.436 296 H HN 0.733 nan 8.280 nan 0.000 0.544 297 D N 0.238 120.676 120.400 0.064 0.000 2.511 297 D HA 0.144 4.785 4.640 0.001 0.000 0.283 297 D C 0.942 177.122 176.300 -0.201 0.000 1.198 297 D CA -0.640 53.333 54.000 -0.046 0.000 1.097 297 D CB 0.605 41.424 40.800 0.031 0.000 1.160 297 D HN 0.006 nan 8.370 nan 0.000 0.589 298 L N -1.343 119.693 121.223 -0.311 0.000 2.966 298 L HA 0.245 4.585 4.340 0.001 0.000 0.262 298 L C 1.586 178.387 176.870 -0.115 0.000 1.165 298 L CA -0.064 54.642 54.840 -0.224 0.000 0.978 298 L CB 0.241 42.111 42.059 -0.316 0.000 1.337 298 L HN 0.209 nan 8.230 nan 0.000 0.563 299 K N 0.890 121.242 120.400 -0.081 0.000 2.228 299 K HA -0.022 4.299 4.320 0.001 0.000 0.202 299 K C -0.094 176.506 176.600 -0.001 0.000 1.051 299 K CA 0.751 57.018 56.287 -0.034 0.000 0.960 299 K CB 0.257 32.748 32.500 -0.016 0.000 0.743 299 K HN 0.386 nan 8.250 nan 0.000 0.458 300 E N 0.292 120.497 120.200 0.009 0.000 2.392 300 E HA 0.392 4.743 4.350 0.001 0.000 0.279 300 E C -1.105 175.505 176.600 0.017 0.000 0.964 300 E CA -0.822 55.594 56.400 0.026 0.000 0.777 300 E CB 1.363 31.088 29.700 0.042 0.000 1.249 300 E HN -0.089 nan 8.360 nan 0.000 0.449 301 I N 1.103 121.673 120.570 0.000 0.000 2.488 301 I HA 0.418 4.588 4.170 0.001 0.000 0.299 301 I C -0.528 175.566 176.117 -0.038 0.000 0.984 301 I CA -1.019 60.262 61.300 -0.032 0.000 1.250 301 I CB 0.790 38.760 38.000 -0.049 0.000 1.389 301 I HN 0.428 nan 8.210 nan 0.000 0.488 302 I N 4.529 125.081 120.570 -0.030 0.000 2.418 302 I HA 0.315 4.486 4.170 0.001 0.000 0.287 302 I C -0.872 175.222 176.117 -0.039 0.000 1.008 302 I CA 0.043 61.347 61.300 0.008 0.000 1.104 302 I CB 1.546 39.621 38.000 0.126 0.000 1.264 302 I HN 0.573 nan 8.210 nan 0.000 0.438 303 c N 4.514 123.081 118.600 -0.055 0.000 2.322 303 c HA 0.761 5.332 4.570 0.001 0.000 0.324 303 c C 0.129 174.331 174.090 0.187 0.000 1.284 303 c CA -0.673 55.631 56.329 -0.042 0.000 1.606 303 c CB 0.332 42.694 42.510 -0.246 0.000 2.251 303 c HN 0.813 nan 8.230 nan 0.000 0.502 304 S N 2.304 118.121 115.700 0.196 0.000 2.503 304 S HA 0.901 5.372 4.470 0.001 0.000 0.301 304 S C -0.950 173.834 174.600 0.307 0.000 1.087 304 S CA -0.683 57.649 58.200 0.219 0.000 1.042 304 S CB 1.413 64.657 63.200 0.074 0.000 1.043 304 S HN 1.013 nan 8.310 nan 0.000 0.489 305 W N 0.564 121.759 121.300 -0.175 0.000 2.874 305 W HA 0.681 5.341 4.660 0.001 0.000 0.403 305 W C -2.020 174.325 176.519 -0.289 0.000 1.144 305 W CA -0.706 56.508 57.345 -0.217 0.000 1.175 305 W CB 0.950 30.251 29.460 -0.266 0.000 1.483 305 W HN 0.571 nan 8.180 nan 0.000 0.591 306 N N 1.672 120.260 118.700 -0.188 0.000 2.410 306 N HA 0.315 5.056 4.740 0.001 0.000 0.287 306 N C -1.843 173.571 175.510 -0.162 0.000 1.044 306 N CA -2.058 50.789 53.050 -0.337 0.000 0.881 306 N CB 2.995 41.379 38.487 -0.173 0.000 1.405 306 N HN 0.224 nan 8.380 nan 0.000 0.490 307 P HA 0.003 nan 4.420 nan 0.000 0.225 307 P C 0.895 178.231 177.300 0.059 0.000 1.148 307 P CA 1.143 64.234 63.100 -0.014 0.000 0.779 307 P CB 0.549 32.195 31.700 -0.090 0.000 0.780 308 G N 0.931 109.710 108.800 -0.035 0.000 2.557 308 G HA2 -0.312 3.649 3.960 0.001 0.000 0.292 308 G HA3 -0.312 3.649 3.960 0.001 0.000 0.292 308 G C 0.005 174.887 174.900 -0.029 0.000 1.162 308 G CA -0.060 45.028 45.100 -0.021 0.000 0.964 308 G HN 0.495 nan 8.290 nan 0.000 0.541 309 R N 1.534 122.018 120.500 -0.026 0.000 2.242 309 R HA 0.361 4.702 4.340 0.001 0.000 0.334 309 R C 0.643 176.919 176.300 -0.040 0.000 1.071 309 R CA -0.280 55.776 56.100 -0.074 0.000 0.922 309 R CB -0.315 29.895 30.300 -0.149 0.000 1.023 309 R HN 0.700 nan 8.270 nan 0.000 0.458 310 I N 2.353 122.907 120.570 -0.027 0.000 2.741 310 I HA -0.056 4.115 4.170 0.001 0.000 0.288 310 I C 1.830 177.983 176.117 0.061 0.000 1.192 310 I CA 0.153 61.475 61.300 0.036 0.000 1.426 310 I CB 0.258 38.284 38.000 0.044 0.000 1.367 310 I HN 0.613 nan 8.210 nan 0.000 0.563 311 T N 2.544 117.165 114.554 0.111 0.000 2.720 311 T HA 0.017 4.368 4.350 0.001 0.000 0.268 311 T C 1.615 176.429 174.700 0.190 0.000 1.037 311 T CA 1.376 63.565 62.100 0.147 0.000 1.144 311 T CB -0.874 68.062 68.868 0.113 0.000 0.864 311 T HN 1.754 nan 8.240 nan 0.000 0.444 312 G N 0.899 109.793 108.800 0.157 0.000 2.232 312 G HA2 -0.158 3.803 3.960 0.001 0.000 0.226 312 G HA3 -0.158 3.803 3.960 0.001 0.000 0.226 312 G C 0.016 175.005 174.900 0.149 0.000 0.996 312 G CA 0.093 45.289 45.100 0.161 0.000 0.626 312 G HN 0.705 nan 8.290 nan 0.000 0.509 313 L N 0.902 122.203 121.223 0.130 0.000 2.416 313 L HA 0.788 5.128 4.340 0.001 0.000 0.262 313 L C 0.611 177.526 176.870 0.075 0.000 1.093 313 L CA -1.148 53.747 54.840 0.092 0.000 0.801 313 L CB 1.675 43.759 42.059 0.041 0.000 1.191 313 L HN 0.364 nan 8.230 nan 0.000 0.459 314 V N -1.598 118.331 119.914 0.025 0.000 2.733 314 V HA 0.908 5.029 4.120 0.001 0.000 0.306 314 V C 0.199 176.285 176.094 -0.013 0.000 1.084 314 V CA -0.028 62.296 62.300 0.040 0.000 0.905 314 V CB 0.611 32.475 31.823 0.069 0.000 1.010 314 V HN 1.064 nan 8.190 nan 0.000 0.424 315 G N 4.978 113.787 108.800 0.015 0.000 2.536 315 G HA2 -0.192 3.768 3.960 0.001 0.000 0.280 315 G HA3 -0.192 3.768 3.960 0.001 0.000 0.280 315 G C -0.958 173.904 174.900 -0.062 0.000 1.152 315 G CA 0.325 45.400 45.100 -0.041 0.000 0.970 315 G HN 0.844 nan 8.290 nan 0.000 0.549 316 P HA -0.148 nan 4.420 nan 0.000 0.220 316 P C 1.406 178.672 177.300 -0.058 0.000 1.142 316 P CA 1.886 64.909 63.100 -0.129 0.000 0.801 316 P CB -0.147 31.471 31.700 -0.136 0.000 0.764 317 R N -2.328 118.130 120.500 -0.070 0.000 2.282 317 R HA 0.141 4.481 4.340 0.001 0.000 0.195 317 R C 0.841 177.160 176.300 0.032 0.000 0.909 317 R CA -0.327 55.734 56.100 -0.065 0.000 1.039 317 R CB -1.116 29.067 30.300 -0.195 0.000 1.015 317 R HN 0.168 nan 8.270 nan 0.000 0.513 318 N N 2.271 121.045 118.700 0.124 0.000 2.395 318 N HA -0.080 4.661 4.740 0.001 0.000 0.246 318 N C -0.326 175.179 175.510 -0.008 0.000 1.246 318 N CA 0.521 53.654 53.050 0.138 0.000 0.879 318 N CB 0.669 39.295 38.487 0.233 0.000 1.098 318 N HN 0.002 nan 8.380 nan 0.000 0.444 319 T N 0.833 115.340 114.554 -0.079 0.000 2.908 319 T HA -0.078 4.272 4.350 0.001 0.000 0.301 319 T C 0.369 174.774 174.700 -0.492 0.000 1.019 319 T CA 0.041 61.959 62.100 -0.303 0.000 1.152 319 T CB 0.035 68.635 68.868 -0.446 0.000 0.966 319 T HN 0.482 nan 8.240 nan 0.000 0.540 320 E N 4.871 124.747 120.200 -0.540 0.000 2.280 320 E HA 0.100 4.451 4.350 0.001 0.000 0.279 320 E C -0.774 175.735 176.600 -0.152 0.000 1.325 320 E CA -0.599 55.493 56.400 -0.512 0.000 1.486 320 E CB -0.215 29.295 29.700 -0.316 0.000 1.466 320 E HN 0.789 nan 8.360 nan 0.000 0.473 321 Y N 1.202 121.582 120.300 0.134 0.000 2.846 321 Y HA -0.094 4.457 4.550 0.001 0.000 0.352 321 Y C 0.598 176.537 175.900 0.064 0.000 1.298 321 Y CA 0.504 58.675 58.100 0.118 0.000 1.634 321 Y CB 0.384 39.005 38.460 0.268 0.000 1.214 321 Y HN 0.111 nan 8.280 nan 0.000 0.529 322 T N 5.252 119.873 114.554 0.113 0.000 2.855 322 T HA 0.460 4.811 4.350 0.001 0.000 0.281 322 T C -1.007 173.706 174.700 0.022 0.000 1.007 322 T CA -0.738 61.403 62.100 0.068 0.000 1.009 322 T CB 1.438 70.342 68.868 0.060 0.000 0.983 322 T HN 0.266 nan 8.240 nan 0.000 0.455 323 L N 3.287 124.517 121.223 0.013 0.000 2.353 323 L HA 0.541 4.882 4.340 0.001 0.000 0.270 323 L C -1.337 175.592 176.870 0.098 0.000 1.003 323 L CA -0.670 54.177 54.840 0.011 0.000 0.862 323 L CB 0.183 42.190 42.059 -0.087 0.000 1.221 323 L HN 0.651 nan 8.230 nan 0.000 0.430 324 F N 3.614 123.622 119.950 0.097 0.000 2.411 324 F HA 0.364 4.891 4.527 0.001 0.000 0.350 324 F C 0.662 176.605 175.800 0.239 0.000 1.114 324 F CA -0.394 57.684 58.000 0.131 0.000 1.135 324 F CB 0.907 39.950 39.000 0.071 0.000 1.120 324 F HN 0.397 nan 8.300 nan 0.000 0.495 325 E N 3.719 124.309 120.200 0.650 0.000 2.130 325 E HA 0.084 4.435 4.350 0.001 0.000 0.284 325 E C 0.237 177.115 176.600 0.463 0.000 1.018 325 E CA 0.128 56.796 56.400 0.447 0.000 0.817 325 E CB 1.847 31.773 29.700 0.376 0.000 1.078 325 E HN 0.710 nan 8.360 nan 0.000 0.396 326 S N 3.359 119.135 115.700 0.127 0.000 2.395 326 S HA -0.108 4.363 4.470 0.001 0.000 0.225 326 S C 1.775 176.353 174.600 -0.036 0.000 1.027 326 S CA 1.190 59.370 58.200 -0.034 0.000 0.965 326 S CB -0.050 63.067 63.200 -0.139 0.000 0.812 326 S HN 0.601 nan 8.310 nan 0.000 0.482 327 I N -0.466 120.053 120.570 -0.085 0.000 2.296 327 I HA 0.129 4.299 4.170 0.001 0.000 0.242 327 I C 2.369 178.452 176.117 -0.056 0.000 1.087 327 I CA 1.098 62.337 61.300 -0.102 0.000 1.393 327 I CB -1.267 36.630 38.000 -0.172 0.000 1.093 327 I HN 0.026 nan 8.210 nan 0.000 0.421 328 S N 0.554 116.225 115.700 -0.049 0.000 2.359 328 S HA -0.053 4.418 4.470 0.001 0.000 0.223 328 S C 1.780 176.409 174.600 0.049 0.000 1.039 328 S CA 2.136 60.337 58.200 0.002 0.000 1.042 328 S CB -1.100 62.150 63.200 0.084 0.000 0.915 328 S HN 1.010 nan 8.310 nan 0.000 0.439 329 G N -0.411 108.487 108.800 0.164 0.000 2.142 329 G HA2 -0.108 3.852 3.960 0.001 0.000 0.225 329 G HA3 -0.108 3.852 3.960 0.001 0.000 0.225 329 G C -0.150 174.775 174.900 0.042 0.000 1.015 329 G CA 0.598 45.834 45.100 0.226 0.000 0.716 329 G HN 0.906 nan 8.290 nan 0.000 0.508 330 K N -0.102 120.309 120.400 0.018 0.000 2.159 330 K HA 0.905 5.226 4.320 0.001 0.000 0.266 330 K C 0.430 176.907 176.600 -0.205 0.000 0.975 330 K CA 0.268 56.522 56.287 -0.055 0.000 0.865 330 K CB 1.406 33.943 32.500 0.062 0.000 1.087 330 K HN 1.626 nan 8.250 nan 0.000 0.446 331 S N -0.820 114.720 115.700 -0.267 0.000 2.634 331 S HA 0.945 5.415 4.470 0.001 0.000 0.296 331 S C -0.471 174.053 174.600 -0.126 0.000 1.104 331 S CA -0.339 57.669 58.200 -0.319 0.000 0.920 331 S CB 1.902 64.794 63.200 -0.514 0.000 1.111 331 S HN 1.966 nan 8.310 nan 0.000 0.493 332 A N 0.188 122.960 122.820 -0.079 0.000 2.590 332 A HA 0.744 5.064 4.320 0.001 0.000 0.294 332 A C -1.629 175.975 177.584 0.034 0.000 1.046 332 A CA -0.653 51.378 52.037 -0.011 0.000 0.684 332 A CB 1.018 20.026 19.000 0.014 0.000 1.279 332 A HN 1.374 nan 8.150 nan 0.000 0.415 333 V N 1.373 121.332 119.914 0.076 0.000 2.876 333 V HA 0.828 4.948 4.120 0.001 0.000 0.312 333 V C -1.584 174.643 176.094 0.221 0.000 1.085 333 V CA -0.680 61.698 62.300 0.130 0.000 0.945 333 V CB 1.986 33.861 31.823 0.086 0.000 1.017 333 V HN 1.302 nan 8.190 nan 0.000 0.428 334 F N 5.654 125.696 119.950 0.153 0.000 2.449 334 F HA 0.703 5.230 4.527 0.001 0.000 0.342 334 F C -0.734 175.188 175.800 0.203 0.000 1.127 334 F CA -0.103 58.026 58.000 0.214 0.000 0.975 334 F CB 1.007 40.228 39.000 0.369 0.000 1.146 334 F HN 0.625 nan 8.300 nan 0.000 0.444 335 H N 5.918 124.486 119.070 -0.836 0.000 3.239 335 H HA 0.347 4.904 4.556 0.001 0.000 0.320 335 H C -1.113 173.784 175.328 -0.718 0.000 1.074 335 H CA -0.578 55.077 56.048 -0.656 0.000 1.553 335 H CB 1.059 30.673 29.762 -0.248 0.000 1.752 335 H HN 0.794 nan 8.280 nan 0.000 0.513 336 R N 2.889 123.051 120.500 -0.563 0.000 2.404 336 R HA 0.211 4.552 4.340 0.001 0.000 0.291 336 R C 1.458 177.762 176.300 0.006 0.000 1.025 336 R CA -0.394 55.571 56.100 -0.226 0.000 0.991 336 R CB 0.719 30.987 30.300 -0.053 0.000 1.053 336 R HN 0.605 nan 8.270 nan 0.000 0.479 337 I N -0.658 119.892 120.570 -0.033 0.000 2.500 337 I HA 0.099 4.270 4.170 0.001 0.000 0.252 337 I C 0.686 176.823 176.117 0.034 0.000 1.142 337 I CA 0.700 61.991 61.300 -0.016 0.000 1.451 337 I CB -0.367 37.601 38.000 -0.054 0.000 1.093 337 I HN 0.501 nan 8.210 nan 0.000 0.430 338 E N 1.941 122.168 120.200 0.044 0.000 2.373 338 E HA 0.367 4.718 4.350 0.001 0.000 0.263 338 E C 0.505 177.175 176.600 0.117 0.000 1.073 338 E CA -0.192 56.248 56.400 0.068 0.000 0.894 338 E CB 0.721 30.453 29.700 0.054 0.000 1.008 338 E HN 0.383 nan 8.360 nan 0.000 0.420 339 G N 2.280 111.150 108.800 0.117 0.000 2.630 339 G HA2 0.145 4.106 3.960 0.001 0.000 0.236 339 G HA3 0.145 4.106 3.960 0.001 0.000 0.236 339 G C -0.379 174.637 174.900 0.193 0.000 1.248 339 G CA -0.548 44.640 45.100 0.147 0.000 0.844 339 G HN 0.273 nan 8.290 nan 0.000 0.588 340 L N 0.112 121.475 121.223 0.233 0.000 2.468 340 L HA 0.455 4.796 4.340 0.001 0.000 0.254 340 L C 1.497 178.491 176.870 0.207 0.000 1.171 340 L CA -0.205 54.824 54.840 0.315 0.000 0.809 340 L CB 1.214 43.469 42.059 0.326 0.000 1.155 340 L HN 0.776 nan 8.230 nan 0.000 0.473 341 T N -1.969 112.712 114.554 0.212 0.000 2.906 341 T HA 0.239 4.589 4.350 0.001 0.000 0.283 341 T C 0.803 175.469 174.700 -0.056 0.000 1.098 341 T CA -0.486 61.661 62.100 0.078 0.000 0.960 341 T CB 0.464 69.405 68.868 0.122 0.000 1.776 341 T HN 0.488 nan 8.240 nan 0.000 0.594 342 N N 0.012 118.670 118.700 -0.070 0.000 2.414 342 N HA 0.001 4.742 4.740 0.001 0.000 0.177 342 N C 0.495 175.896 175.510 -0.182 0.000 1.062 342 N CA 0.035 53.014 53.050 -0.120 0.000 0.890 342 N CB 0.137 38.583 38.487 -0.068 0.000 1.070 342 N HN 0.702 nan 8.380 nan 0.000 0.454 343 E N 0.918 121.038 120.200 -0.135 0.000 2.438 343 E HA -0.040 4.310 4.350 0.001 0.000 0.261 343 E C -0.531 175.874 176.600 -0.326 0.000 1.103 343 E CA 0.159 56.479 56.400 -0.134 0.000 0.959 343 E CB 0.570 30.268 29.700 -0.004 0.000 0.958 343 E HN 0.208 nan 8.360 nan 0.000 0.447 344 T N 1.829 116.229 114.554 -0.257 0.000 2.749 344 T HA 0.254 4.605 4.350 0.001 0.000 0.295 344 T C -0.351 174.159 174.700 -0.317 0.000 0.936 344 T CA -0.411 61.460 62.100 -0.382 0.000 1.060 344 T CB 0.012 68.748 68.868 -0.220 0.000 0.904 344 T HN 0.283 nan 8.240 nan 0.000 0.500 345 Y N 1.808 121.598 120.300 -0.850 0.000 2.334 345 Y HA 0.473 5.023 4.550 0.001 0.000 0.328 345 Y C 1.351 176.670 175.900 -0.968 0.000 1.130 345 Y CA -1.710 55.786 58.100 -1.007 0.000 1.163 345 Y CB 1.471 39.064 38.460 -1.445 0.000 1.207 345 Y HN 0.395 nan 8.280 nan 0.000 0.471 346 R N 1.922 122.239 120.500 -0.304 0.000 2.691 346 R HA 0.699 5.039 4.340 0.001 0.000 0.259 346 R C -1.580 174.796 176.300 0.127 0.000 1.048 346 R CA -1.192 54.883 56.100 -0.042 0.000 1.086 346 R CB 1.522 31.827 30.300 0.008 0.000 1.166 346 R HN 0.448 nan 8.270 nan 0.000 0.526 347 L N -0.752 120.596 121.223 0.209 0.000 2.549 347 L HA 0.433 4.774 4.340 0.001 0.000 0.259 347 L C -1.100 175.827 176.870 0.095 0.000 0.934 347 L CA -0.031 54.933 54.840 0.206 0.000 0.865 347 L CB 2.312 44.538 42.059 0.278 0.000 1.352 347 L HN 0.744 nan 8.230 nan 0.000 0.410 348 G N 3.909 112.761 108.800 0.086 0.000 2.655 348 G HA2 0.561 4.522 3.960 0.001 0.000 0.334 348 G HA3 0.561 4.522 3.960 0.001 0.000 0.334 348 G C -1.039 173.882 174.900 0.034 0.000 1.099 348 G CA -0.401 44.732 45.100 0.055 0.000 1.075 348 G HN 0.524 nan 8.290 nan 0.000 0.463 349 V N 1.851 121.768 119.914 0.005 0.000 2.364 349 V HA 0.293 4.414 4.120 0.001 0.000 0.272 349 V C 0.383 176.508 176.094 0.052 0.000 1.036 349 V CA -1.155 61.160 62.300 0.025 0.000 0.880 349 V CB 0.977 32.815 31.823 0.024 0.000 0.991 349 V HN 0.702 nan 8.190 nan 0.000 0.460 350 Q N 4.754 124.589 119.800 0.059 0.000 2.386 350 Q HA 0.384 4.724 4.340 0.001 0.000 0.282 350 Q C -0.328 175.735 176.000 0.105 0.000 1.050 350 Q CA 0.471 56.315 55.803 0.067 0.000 0.918 350 Q CB 0.862 29.635 28.738 0.058 0.000 1.266 350 Q HN 0.893 nan 8.270 nan 0.000 0.423 351 M N 1.186 120.851 119.600 0.107 0.000 2.690 351 M HA 0.532 5.012 4.480 0.001 0.000 0.302 351 M C -1.200 175.204 176.300 0.172 0.000 1.234 351 M CA -1.043 54.359 55.300 0.171 0.000 0.853 351 M CB 1.802 34.493 32.600 0.150 0.000 1.748 351 M HN 0.664 nan 8.290 nan 0.000 0.469 352 H N 0.711 119.846 119.070 0.108 0.000 2.487 352 H HA 0.550 5.106 4.556 0.001 0.000 0.333 352 H C -2.504 172.857 175.328 0.055 0.000 1.114 352 H CA -1.111 54.975 56.048 0.063 0.000 1.310 352 H CB 1.162 30.952 29.762 0.046 0.000 1.462 352 H HN 0.436 nan 8.280 nan 0.000 0.516 353 P HA -0.077 nan 4.420 nan 0.000 0.265 353 P C 0.918 178.165 177.300 -0.087 0.000 1.167 353 P CA 1.780 64.729 63.100 -0.252 0.000 0.760 353 P CB 0.307 31.785 31.700 -0.370 0.000 0.783 354 G N 1.684 110.463 108.800 -0.035 0.000 3.581 354 G HA2 -0.431 3.530 3.960 0.001 0.000 0.336 354 G HA3 -0.431 3.530 3.960 0.001 0.000 0.336 354 G C 0.939 175.868 174.900 0.048 0.000 1.259 354 G CA 1.141 46.246 45.100 0.008 0.000 1.001 354 G HN 0.550 nan 8.290 nan 0.000 0.662 355 Q N -1.589 118.248 119.800 0.062 0.000 1.920 355 Q HA -0.419 3.922 4.340 0.001 0.000 0.176 355 Q C 2.186 178.193 176.000 0.012 0.000 2.930 355 Q CA 5.301 61.137 55.803 0.056 0.000 0.210 355 Q CB -1.655 27.166 28.738 0.138 0.000 0.279 355 Q HN 2.619 nan 8.270 nan 0.000 0.368 356 E N -0.622 119.632 120.200 0.089 0.000 4.027 356 E HA -0.293 4.057 4.350 0.001 0.000 0.194 356 E C 0.627 177.293 176.600 0.111 0.000 1.213 356 E CA 2.337 58.787 56.400 0.083 0.000 2.285 356 E CB -2.813 26.898 29.700 0.018 0.000 1.825 356 E HN 0.958 nan 8.360 nan 0.000 0.363 357 I N 0.406 120.933 120.570 -0.072 0.000 2.588 357 I HA 0.663 4.834 4.170 0.001 0.000 0.283 357 I C 0.317 176.194 176.117 -0.400 0.000 1.119 357 I CA -0.264 60.954 61.300 -0.137 0.000 1.419 357 I CB 0.739 38.659 38.000 -0.133 0.000 1.394 357 I HN 0.530 nan 8.210 nan 0.000 0.562 358 H N 3.493 122.437 119.070 -0.211 0.000 3.017 358 H HA 0.364 4.920 4.556 0.001 0.000 0.340 358 H C -0.923 174.105 175.328 -0.501 0.000 1.014 358 H CA -0.619 55.170 56.048 -0.433 0.000 1.341 358 H CB 1.273 30.716 29.762 -0.531 0.000 1.739 358 H HN 0.580 nan 8.280 nan 0.000 0.506 359 N N 4.205 122.642 118.700 -0.440 0.000 2.501 359 N HA 0.195 4.935 4.740 0.001 0.000 0.245 359 N C -1.350 173.986 175.510 -0.290 0.000 0.974 359 N CA -0.176 52.712 53.050 -0.270 0.000 0.941 359 N CB 0.418 38.802 38.487 -0.172 0.000 1.122 359 N HN 0.431 nan 8.380 nan 0.000 0.507 360 F N 0.994 120.977 119.950 0.055 0.000 2.458 360 F HA 0.330 4.858 4.527 0.001 0.000 0.336 360 F C 0.495 176.308 175.800 0.021 0.000 1.114 360 F CA -0.670 57.362 58.000 0.053 0.000 0.987 360 F CB 2.012 41.031 39.000 0.032 0.000 1.130 360 F HN 0.095 nan 8.300 nan 0.000 0.458 361 T N 4.968 119.695 114.554 0.289 0.000 2.864 361 T HA 0.269 4.619 4.350 0.001 0.000 0.299 361 T C -1.033 173.718 174.700 0.085 0.000 1.011 361 T CA -0.452 61.731 62.100 0.138 0.000 0.975 361 T CB 1.140 70.068 68.868 0.100 0.000 0.962 361 T HN 0.254 nan 8.240 nan 0.000 0.448 362 L N 5.530 126.736 121.223 -0.029 0.000 2.282 362 L HA 0.456 4.796 4.340 0.001 0.000 0.287 362 L C 0.329 177.164 176.870 -0.058 0.000 1.075 362 L CA -0.197 54.557 54.840 -0.144 0.000 0.839 362 L CB -0.173 41.642 42.059 -0.407 0.000 1.219 362 L HN 0.714 nan 8.230 nan 0.000 0.434 363 T N 1.649 116.205 114.554 0.004 0.000 2.767 363 T HA 0.725 5.075 4.350 0.001 0.000 0.288 363 T C 0.340 175.051 174.700 0.019 0.000 0.963 363 T CA -0.470 61.644 62.100 0.023 0.000 1.019 363 T CB 1.333 70.223 68.868 0.038 0.000 0.923 363 T HN 0.798 nan 8.240 nan 0.000 0.468 364 G N 2.655 111.447 108.800 -0.014 0.000 2.468 364 G HA2 0.511 4.472 3.960 0.001 0.000 0.315 364 G HA3 0.511 4.472 3.960 0.001 0.000 0.315 364 G C -0.400 174.384 174.900 -0.193 0.000 1.203 364 G CA -1.042 43.934 45.100 -0.206 0.000 0.962 364 G HN 0.685 nan 8.290 nan 0.000 0.476 365 R N 1.836 122.209 120.500 -0.211 0.000 2.215 365 R HA 0.192 4.532 4.340 0.001 0.000 0.337 365 R C -0.381 175.838 176.300 -0.136 0.000 1.010 365 R CA -0.440 55.584 56.100 -0.126 0.000 0.871 365 R CB 1.077 31.332 30.300 -0.074 0.000 1.134 365 R HN 0.581 nan 8.270 nan 0.000 0.477 366 N N 3.629 122.277 118.700 -0.086 0.000 2.609 366 N HA 0.241 4.981 4.740 0.001 0.000 0.234 366 N C -2.412 173.088 175.510 -0.017 0.000 1.001 366 N CA -2.075 50.943 53.050 -0.052 0.000 0.926 366 N CB 0.976 39.447 38.487 -0.027 0.000 1.130 366 N HN 0.147 nan 8.380 nan 0.000 0.510 367 P HA -0.115 nan 4.420 nan 0.000 0.212 367 P C -0.109 177.202 177.300 0.018 0.000 0.974 367 P CA 0.973 64.075 63.100 0.002 0.000 1.226 367 P CB 0.080 31.779 31.700 -0.002 0.000 1.258 368 L N 0.663 121.899 121.223 0.022 0.000 1.242 368 L HA 0.186 4.526 4.340 0.001 0.000 0.048 368 L C 0.528 177.413 176.870 0.025 0.000 1.534 368 L CA 0.781 55.640 54.840 0.031 0.000 1.113 368 L CB -0.735 41.346 42.059 0.037 0.000 2.238 368 L HN 0.443 nan 8.230 nan 0.000 0.436 369 G N -0.418 108.393 108.800 0.018 0.000 2.619 369 G HA2 0.638 4.599 3.960 0.001 0.000 0.305 369 G HA3 0.638 4.599 3.960 0.001 0.000 0.305 369 G C -2.066 172.836 174.900 0.003 0.000 1.330 369 G CA -0.369 44.740 45.100 0.015 0.000 0.789 369 G HN 0.091 nan 8.290 nan 0.000 0.487 370 Q N -1.501 118.302 119.800 0.005 0.000 2.528 370 Q HA 0.775 5.116 4.340 0.001 0.000 0.289 370 Q C -0.871 175.136 176.000 0.011 0.000 1.091 370 Q CA -0.943 54.858 55.803 -0.003 0.000 0.797 370 Q CB 2.759 31.495 28.738 -0.003 0.000 1.466 370 Q HN 1.182 nan 8.270 nan 0.000 0.436 371 A N 1.041 123.868 122.820 0.012 0.000 2.608 371 A HA 0.540 4.861 4.320 0.001 0.000 0.292 371 A C -2.033 175.568 177.584 0.028 0.000 1.066 371 A CA -0.787 51.266 52.037 0.025 0.000 0.676 371 A CB 1.845 20.869 19.000 0.040 0.000 1.277 371 A HN 0.617 nan 8.150 nan 0.000 0.413 372 Q N 0.433 120.247 119.800 0.023 0.000 2.372 372 Q HA 0.804 5.145 4.340 0.001 0.000 0.273 372 Q C -0.956 175.048 176.000 0.008 0.000 1.078 372 Q CA -0.757 55.055 55.803 0.014 0.000 0.806 372 Q CB 2.172 30.917 28.738 0.012 0.000 1.332 372 Q HN 0.496 nan 8.270 nan 0.000 0.435 373 S N 0.221 115.913 115.700 -0.013 0.000 2.578 373 S HA 0.840 5.311 4.470 0.001 0.000 0.301 373 S C -1.337 173.263 174.600 -0.000 0.000 1.091 373 S CA -0.477 57.715 58.200 -0.013 0.000 1.032 373 S CB 1.537 64.713 63.200 -0.039 0.000 1.064 373 S HN 0.708 nan 8.310 nan 0.000 0.508 374 A N 2.691 125.520 122.820 0.015 0.000 2.375 374 A HA 0.702 5.023 4.320 0.001 0.000 0.291 374 A C -0.383 177.227 177.584 0.043 0.000 1.160 374 A CA -0.633 51.423 52.037 0.032 0.000 0.747 374 A CB 0.409 19.420 19.000 0.017 0.000 1.170 374 A HN 0.973 nan 8.150 nan 0.000 0.458 375 V N 0.125 120.089 119.914 0.082 0.000 3.181 375 V HA 0.976 5.097 4.120 0.001 0.000 0.314 375 V C -0.388 175.758 176.094 0.086 0.000 1.173 375 V CA -0.674 61.678 62.300 0.086 0.000 1.052 375 V CB 1.628 33.519 31.823 0.113 0.000 1.123 375 V HN 1.569 nan 8.190 nan 0.000 0.454 376 V N -0.869 119.079 119.914 0.057 0.000 2.775 376 V HA 0.704 4.825 4.120 0.001 0.000 0.295 376 V C -1.054 175.039 176.094 -0.001 0.000 1.226 376 V CA -0.308 61.994 62.300 0.004 0.000 0.934 376 V CB 0.920 32.732 31.823 -0.019 0.000 1.056 376 V HN 0.921 nan 8.190 nan 0.000 0.436 377 I N 3.237 123.806 120.570 -0.002 0.000 2.582 377 I HA 0.489 4.659 4.170 0.001 0.000 0.292 377 I C -0.380 175.733 176.117 -0.006 0.000 1.066 377 I CA -0.512 60.784 61.300 -0.006 0.000 1.053 377 I CB 2.487 40.507 38.000 0.032 0.000 1.241 377 I HN 0.704 nan 8.210 nan 0.000 0.421 378 N N 5.340 124.013 118.700 -0.045 0.000 2.807 378 N HA 0.113 4.853 4.740 0.001 0.000 0.259 378 N C 0.916 176.401 175.510 -0.042 0.000 1.149 378 N CA 0.121 53.149 53.050 -0.036 0.000 1.042 378 N CB 0.831 39.285 38.487 -0.054 0.000 1.367 378 N HN 0.449 nan 8.380 nan 0.000 0.516 379 V N 1.813 121.735 119.914 0.013 0.000 2.278 379 V HA -0.343 3.778 4.120 0.001 0.000 0.251 379 V C 2.299 178.380 176.094 -0.022 0.000 1.062 379 V CA 2.580 64.876 62.300 -0.007 0.000 1.038 379 V CB -1.087 30.758 31.823 0.037 0.000 0.646 379 V HN 0.771 nan 8.190 nan 0.000 0.447 380 T N -2.524 112.031 114.554 0.002 0.000 2.946 380 T HA -0.292 4.059 4.350 0.001 0.000 0.270 380 T C 1.505 176.199 174.700 -0.009 0.000 1.129 380 T CA 1.959 64.063 62.100 0.008 0.000 1.103 380 T CB -0.303 68.571 68.868 0.010 0.000 0.839 380 T HN 0.660 nan 8.240 nan 0.000 0.544 381 E N 0.520 120.684 120.200 -0.061 0.000 2.132 381 E HA 0.172 4.523 4.350 0.001 0.000 0.193 381 E C 1.561 178.044 176.600 -0.195 0.000 0.951 381 E CA -0.101 56.232 56.400 -0.111 0.000 0.843 381 E CB 0.234 29.830 29.700 -0.174 0.000 0.807 381 E HN 0.180 nan 8.360 nan 0.000 0.467 382 R N 0.905 121.236 120.500 -0.281 0.000 3.385 382 R HA 0.033 4.373 4.340 0.001 0.000 0.236 382 R C -0.553 175.808 176.300 0.101 0.000 1.663 382 R CA -0.052 55.795 56.100 -0.423 0.000 1.444 382 R CB -0.335 29.763 30.300 -0.336 0.000 1.218 382 R HN 0.002 nan 8.270 nan 0.000 0.575 383 V N -1.994 118.084 119.914 0.274 0.000 2.461 383 V HA 0.634 4.754 4.120 0.001 0.000 0.275 383 V C 0.478 176.756 176.094 0.306 0.000 1.047 383 V CA -0.805 61.656 62.300 0.268 0.000 0.955 383 V CB 1.471 33.429 31.823 0.225 0.000 0.988 383 V HN 0.124 nan 8.190 nan 0.000 0.471 384 A N 5.935 128.829 122.820 0.124 0.000 3.248 384 A HA 0.673 4.993 4.320 0.001 0.000 0.315 384 A C -2.126 175.493 177.584 0.057 0.000 0.974 384 A CA -1.539 50.490 52.037 -0.014 0.000 0.939 384 A CB -0.192 18.715 19.000 -0.154 0.000 1.061 384 A HN 0.762 nan 8.150 nan 0.000 0.481 385 P HA -0.151 nan 4.420 nan 0.000 0.270 385 P C 0.340 177.775 177.300 0.225 0.000 1.167 385 P CA 1.036 64.273 63.100 0.228 0.000 0.759 385 P CB 0.374 32.158 31.700 0.140 0.000 0.777 386 H N 0.509 119.756 119.070 0.296 0.000 2.208 386 H HA 0.116 4.672 4.556 0.001 0.000 0.252 386 H C 0.063 175.503 175.328 0.186 0.000 1.635 386 H CA -0.102 56.081 56.048 0.225 0.000 1.485 386 H CB 0.325 30.209 29.762 0.204 0.000 1.721 386 H HN 0.351 nan 8.280 nan 0.000 0.710 387 D N 1.460 122.067 120.400 0.345 0.000 2.460 387 D HA 0.221 4.862 4.640 0.001 0.000 0.232 387 D C -2.512 173.916 176.300 0.213 0.000 1.079 387 D CA -1.442 52.687 54.000 0.215 0.000 0.864 387 D CB 1.032 41.915 40.800 0.138 0.000 1.048 387 D HN 0.156 nan 8.370 nan 0.000 0.523 388 P HA -0.063 nan 4.420 nan 0.000 0.257 388 P C -0.459 176.987 177.300 0.244 0.000 1.153 388 P CA 0.588 63.890 63.100 0.337 0.000 0.762 388 P CB 0.455 32.313 31.700 0.263 0.000 0.743 389 T N 1.436 116.136 114.554 0.243 0.000 2.918 389 T HA 0.366 4.717 4.350 0.001 0.000 0.286 389 T C 0.412 175.208 174.700 0.161 0.000 1.026 389 T CA -0.531 61.650 62.100 0.134 0.000 1.031 389 T CB 1.091 69.961 68.868 0.003 0.000 1.046 389 T HN 0.315 nan 8.240 nan 0.000 0.479 390 S N -0.013 115.744 115.700 0.094 0.000 3.482 390 S HA -0.133 4.338 4.470 0.001 0.000 0.294 390 S C 0.445 175.081 174.600 0.061 0.000 1.244 390 S CA -0.043 58.199 58.200 0.071 0.000 0.911 390 S CB -2.158 61.085 63.200 0.071 0.000 1.070 390 S HN 0.708 nan 8.310 nan 0.000 0.614 391 L N 0.261 121.518 121.223 0.057 0.000 2.737 391 L HA 0.287 4.628 4.340 0.001 0.000 0.279 391 L C 0.676 177.462 176.870 -0.140 0.000 1.200 391 L CA 1.176 55.953 54.840 -0.106 0.000 0.952 391 L CB -0.797 41.168 42.059 -0.156 0.000 1.240 391 L HN 0.457 nan 8.230 nan 0.000 0.486 392 K N 3.309 123.589 120.400 -0.200 0.000 2.340 392 K HA 0.832 5.153 4.320 0.001 0.000 0.244 392 K C -0.887 175.576 176.600 -0.228 0.000 0.973 392 K CA -0.588 55.613 56.287 -0.143 0.000 0.828 392 K CB 2.541 35.004 32.500 -0.062 0.000 1.226 392 K HN 0.306 nan 8.250 nan 0.000 0.437 393 V N 1.654 121.457 119.914 -0.184 0.000 2.482 393 V HA 0.744 4.865 4.120 0.001 0.000 0.295 393 V C 0.043 175.989 176.094 -0.246 0.000 1.026 393 V CA -0.904 61.262 62.300 -0.223 0.000 0.856 393 V CB 1.129 32.817 31.823 -0.224 0.000 1.001 393 V HN 1.184 nan 8.190 nan 0.000 0.424 394 K N 1.963 122.275 120.400 -0.147 0.000 2.118 394 K HA 0.744 5.065 4.320 0.001 0.000 0.254 394 K C -0.588 175.989 176.600 -0.038 0.000 0.961 394 K CA -0.751 55.488 56.287 -0.081 0.000 0.876 394 K CB 0.810 33.274 32.500 -0.061 0.000 1.077 394 K HN 0.773 nan 8.250 nan 0.000 0.440 395 D N 1.017 121.437 120.400 0.033 0.000 2.193 395 D HA 0.404 5.045 4.640 0.001 0.000 0.244 395 D C 0.777 177.112 176.300 0.058 0.000 1.064 395 D CA -0.619 53.435 54.000 0.090 0.000 0.845 395 D CB 1.201 42.101 40.800 0.165 0.000 1.148 395 D HN 0.448 nan 8.370 nan 0.000 0.464 396 I N 0.671 121.272 120.570 0.052 0.000 2.522 396 I HA -0.017 4.154 4.170 0.001 0.000 0.240 396 I C 0.790 176.936 176.117 0.048 0.000 1.078 396 I CA 0.510 61.832 61.300 0.037 0.000 1.422 396 I CB -0.155 37.859 38.000 0.023 0.000 1.188 396 I HN 0.394 nan 8.210 nan 0.000 0.442 397 N N -0.620 118.114 118.700 0.057 0.000 3.512 397 N HA 0.156 4.896 4.740 0.001 0.000 0.360 397 N C 0.207 175.767 175.510 0.082 0.000 1.593 397 N CA -0.423 52.664 53.050 0.061 0.000 0.672 397 N CB 0.336 38.851 38.487 0.046 0.000 2.105 397 N HN -0.203 nan 8.380 nan 0.000 0.645 398 S N -1.671 114.075 115.700 0.076 0.000 2.558 398 S HA 0.020 4.491 4.470 0.001 0.000 0.217 398 S C 1.150 175.810 174.600 0.100 0.000 0.975 398 S CA 0.759 59.014 58.200 0.093 0.000 0.912 398 S CB -0.372 62.872 63.200 0.073 0.000 0.776 398 S HN 0.822 nan 8.310 nan 0.000 0.526 399 T N 0.594 115.197 114.554 0.082 0.000 2.971 399 T HA 0.328 4.679 4.350 0.001 0.000 0.252 399 T C 0.110 174.847 174.700 0.061 0.000 1.022 399 T CA 0.090 62.236 62.100 0.077 0.000 0.980 399 T CB 0.166 69.069 68.868 0.059 0.000 1.044 399 T HN 0.049 nan 8.240 nan 0.000 0.501 400 V N 2.380 122.332 119.914 0.062 0.000 2.841 400 V HA 0.796 4.916 4.120 0.001 0.000 0.310 400 V C -0.624 175.506 176.094 0.060 0.000 1.090 400 V CA -0.841 61.485 62.300 0.044 0.000 0.930 400 V CB 1.945 33.785 31.823 0.029 0.000 1.014 400 V HN 0.339 nan 8.190 nan 0.000 0.425 401 V N 0.365 120.307 119.914 0.047 0.000 3.181 401 V HA 0.792 4.913 4.120 0.001 0.000 0.308 401 V C -0.581 175.521 176.094 0.012 0.000 1.214 401 V CA -0.596 61.736 62.300 0.053 0.000 1.053 401 V CB 2.226 34.124 31.823 0.125 0.000 1.069 401 V HN 0.742 nan 8.190 nan 0.000 0.441 402 T N 2.778 117.327 114.554 -0.008 0.000 2.842 402 T HA 0.560 4.910 4.350 0.001 0.000 0.308 402 T C -0.933 173.765 174.700 -0.004 0.000 1.041 402 T CA 0.058 62.142 62.100 -0.026 0.000 0.964 402 T CB 0.193 68.998 68.868 -0.106 0.000 0.972 402 T HN 0.602 nan 8.240 nan 0.000 0.460 403 F N 3.432 123.326 119.950 -0.093 0.000 2.370 403 F HA 0.638 5.166 4.527 0.001 0.000 0.324 403 F C 0.333 176.249 175.800 0.194 0.000 1.116 403 F CA -0.064 57.919 58.000 -0.028 0.000 1.123 403 F CB 0.933 39.851 39.000 -0.137 0.000 1.238 403 F HN 0.530 nan 8.300 nan 0.000 0.536 404 S N 3.076 118.740 115.700 -0.060 0.000 2.583 404 S HA 0.476 4.947 4.470 0.001 0.000 0.294 404 S C -1.808 172.937 174.600 0.242 0.000 1.121 404 S CA -1.007 57.333 58.200 0.234 0.000 0.910 404 S CB 0.025 63.294 63.200 0.116 0.000 1.102 404 S HN 0.940 nan 8.310 nan 0.000 0.451 405 W N 0.852 122.148 121.300 -0.007 0.000 3.372 405 W HA 0.726 5.387 4.660 0.001 0.000 0.315 405 W C -1.769 174.729 176.519 -0.034 0.000 1.223 405 W CA -1.400 55.943 57.345 -0.003 0.000 1.202 405 W CB 0.527 30.028 29.460 0.069 0.000 1.367 405 W HN 0.770 nan 8.180 nan 0.000 0.531 406 Y N 3.978 124.228 120.300 -0.083 0.000 2.319 406 Y HA 0.516 5.066 4.550 0.001 0.000 0.328 406 Y C -0.624 175.207 175.900 -0.114 0.000 1.133 406 Y CA -0.541 57.431 58.100 -0.214 0.000 1.265 406 Y CB 0.962 39.368 38.460 -0.090 0.000 1.218 406 Y HN 0.527 nan 8.280 nan 0.000 0.508 407 L N 9.669 130.890 121.223 -0.004 0.000 2.573 407 L HA 0.488 4.829 4.340 0.001 0.000 0.260 407 L C -2.821 174.236 176.870 0.312 0.000 0.997 407 L CA -2.669 52.293 54.840 0.203 0.000 0.890 407 L CB 1.064 43.218 42.059 0.158 0.000 1.179 407 L HN 0.437 nan 8.230 nan 0.000 0.439 408 P HA 0.517 nan 4.420 nan 0.000 0.264 408 P C -0.249 177.322 177.300 0.452 0.000 1.193 408 P CA 0.390 63.744 63.100 0.423 0.000 0.763 408 P CB 0.658 32.559 31.700 0.336 0.000 0.810 409 G N 2.326 111.235 108.800 0.182 0.000 2.306 409 G HA2 -0.061 3.900 3.960 0.001 0.000 0.340 409 G HA3 -0.061 3.900 3.960 0.001 0.000 0.340 409 G C -0.873 173.748 174.900 -0.465 0.000 1.630 409 G CA -0.897 43.980 45.100 -0.372 0.000 0.937 409 G HN 0.476 nan 8.290 nan 0.000 0.693 410 N N 0.867 119.325 118.700 -0.404 0.000 2.598 410 N HA 0.117 4.858 4.740 0.001 0.000 0.300 410 N C 0.544 175.923 175.510 -0.219 0.000 1.224 410 N CA -0.218 52.705 53.050 -0.212 0.000 1.125 410 N CB -0.603 37.797 38.487 -0.145 0.000 1.468 410 N HN 0.420 nan 8.380 nan 0.000 0.504 411 F N -0.264 119.716 119.950 0.051 0.000 2.727 411 F HA 0.063 4.591 4.527 0.001 0.000 0.302 411 F C 1.956 177.765 175.800 0.014 0.000 1.097 411 F CA -0.138 57.892 58.000 0.050 0.000 1.330 411 F CB 0.451 39.514 39.000 0.105 0.000 1.084 411 F HN 0.234 nan 8.300 nan 0.000 0.578 412 T N -0.910 113.731 114.554 0.145 0.000 2.788 412 T HA -0.202 4.148 4.350 0.001 0.000 0.268 412 T C 2.456 177.187 174.700 0.052 0.000 1.044 412 T CA 1.553 63.698 62.100 0.075 0.000 1.139 412 T CB -0.496 68.393 68.868 0.035 0.000 0.867 412 T HN 0.383 nan 8.240 nan 0.000 0.454 413 K N 0.876 121.307 120.400 0.052 0.000 2.015 413 K HA -0.027 4.294 4.320 0.001 0.000 0.216 413 K C 1.228 177.854 176.600 0.044 0.000 1.052 413 K CA 1.418 57.728 56.287 0.037 0.000 0.937 413 K CB -1.084 31.435 32.500 0.032 0.000 0.719 413 K HN 0.391 nan 8.250 nan 0.000 0.446 414 I N 0.586 121.206 120.570 0.085 0.000 3.078 414 I HA 0.266 4.436 4.170 0.001 0.000 0.318 414 I C -0.730 175.391 176.117 0.006 0.000 1.016 414 I CA -1.118 60.215 61.300 0.056 0.000 1.130 414 I CB 1.658 39.717 38.000 0.098 0.000 1.397 414 I HN 0.585 nan 8.210 nan 0.000 0.570 415 N N 4.687 123.364 118.700 -0.039 0.000 2.354 415 N HA 0.547 5.288 4.740 0.001 0.000 0.287 415 N C -1.001 174.440 175.510 -0.115 0.000 1.016 415 N CA -0.820 52.172 53.050 -0.096 0.000 0.871 415 N CB 1.073 39.502 38.487 -0.098 0.000 1.299 415 N HN 0.512 nan 8.380 nan 0.000 0.482 416 L N -0.847 120.274 121.223 -0.170 0.000 2.397 416 L HA 0.785 5.126 4.340 0.001 0.000 0.266 416 L C -0.299 176.494 176.870 -0.128 0.000 1.040 416 L CA -1.281 53.457 54.840 -0.169 0.000 0.800 416 L CB 0.872 42.785 42.059 -0.244 0.000 1.324 416 L HN 0.589 nan 8.230 nan 0.000 0.469 417 L N -0.709 120.455 121.223 -0.098 0.000 2.354 417 L HA 0.861 5.201 4.340 0.001 0.000 0.264 417 L C -1.235 175.697 176.870 0.104 0.000 1.008 417 L CA -0.370 54.463 54.840 -0.012 0.000 0.819 417 L CB 2.024 44.065 42.059 -0.030 0.000 1.339 417 L HN 0.793 nan 8.230 nan 0.000 0.420 418 c N 0.923 119.614 118.600 0.153 0.000 2.971 418 c HA 0.606 5.177 4.570 0.001 0.000 0.310 418 c C -0.619 173.512 174.090 0.069 0.000 1.285 418 c CA -0.419 56.009 56.329 0.166 0.000 1.593 418 c CB 2.226 44.865 42.510 0.215 0.000 2.076 418 c HN 0.871 nan 8.230 nan 0.000 0.472 419 Q N 1.196 120.953 119.800 -0.071 0.000 2.321 419 Q HA 0.641 4.982 4.340 0.001 0.000 0.270 419 Q C -1.343 174.568 176.000 -0.149 0.000 1.032 419 Q CA -0.182 55.548 55.803 -0.121 0.000 0.784 419 Q CB 1.822 30.418 28.738 -0.237 0.000 1.264 419 Q HN 0.608 nan 8.270 nan 0.000 0.448 420 I N 2.237 122.729 120.570 -0.129 0.000 2.355 420 I HA 0.231 4.402 4.170 0.001 0.000 0.288 420 I C -0.006 176.073 176.117 -0.063 0.000 0.999 420 I CA -0.548 60.607 61.300 -0.241 0.000 1.163 420 I CB 1.537 39.240 38.000 -0.495 0.000 1.316 420 I HN 0.610 nan 8.210 nan 0.000 0.454 421 E N 7.885 128.098 120.200 0.021 0.000 2.217 421 E HA 0.294 4.645 4.350 0.001 0.000 0.279 421 E C -0.930 175.708 176.600 0.064 0.000 1.068 421 E CA -0.327 56.060 56.400 -0.022 0.000 0.882 421 E CB 0.729 30.318 29.700 -0.185 0.000 1.039 421 E HN 0.549 nan 8.360 nan 0.000 0.418 422 I N 5.977 126.601 120.570 0.091 0.000 2.412 422 I HA 0.188 4.358 4.170 0.001 0.000 0.279 422 I C -0.630 175.600 176.117 0.189 0.000 1.063 422 I CA -0.748 60.700 61.300 0.246 0.000 1.193 422 I CB 0.983 39.096 38.000 0.189 0.000 1.370 422 I HN 0.527 nan 8.210 nan 0.000 0.479 423 C N 6.941 126.322 119.300 0.136 0.000 2.203 423 C HA 0.278 4.738 4.460 0.001 0.000 0.325 423 C C 0.766 175.759 174.990 0.006 0.000 1.156 423 C CA -0.574 58.469 59.018 0.043 0.000 1.597 423 C CB -0.298 27.420 27.740 -0.038 0.000 2.148 423 C HN 0.705 nan 8.230 nan 0.000 0.472 424 K N 3.249 123.641 120.400 -0.014 0.000 2.149 424 K HA 0.513 4.833 4.320 0.001 0.000 0.245 424 K C 0.309 176.798 176.600 -0.186 0.000 1.024 424 K CA -0.227 55.916 56.287 -0.239 0.000 0.899 424 K CB 0.643 32.984 32.500 -0.265 0.000 1.038 424 K HN 0.756 nan 8.250 nan 0.000 0.496 425 A N 2.878 125.559 122.820 -0.230 0.000 2.451 425 A HA 0.116 4.436 4.320 0.001 0.000 0.266 425 A C -0.154 177.356 177.584 -0.124 0.000 1.119 425 A CA -0.078 51.862 52.037 -0.161 0.000 0.786 425 A CB -0.256 18.643 19.000 -0.167 0.000 1.061 425 A HN 0.985 nan 8.150 nan 0.000 0.503 426 N N 0.765 119.409 118.700 -0.093 0.000 2.747 426 N HA -0.143 4.597 4.740 0.001 0.000 0.249 426 N C -0.336 175.137 175.510 -0.061 0.000 1.107 426 N CA 1.387 54.394 53.050 -0.071 0.000 0.707 426 N CB -1.282 37.166 38.487 -0.066 0.000 1.054 426 N HN 0.611 nan 8.380 nan 0.000 0.555 427 S N -0.496 115.168 115.700 -0.060 0.000 2.638 427 S HA 0.714 5.184 4.470 0.001 0.000 0.302 427 S C 0.687 175.266 174.600 -0.034 0.000 1.096 427 S CA -0.411 57.765 58.200 -0.040 0.000 0.953 427 S CB 2.261 65.442 63.200 -0.031 0.000 1.107 427 S HN 0.484 nan 8.310 nan 0.000 0.503 428 K N 1.334 121.720 120.400 -0.023 0.000 2.286 428 K HA 0.194 4.515 4.320 0.001 0.000 0.256 428 K C -0.092 176.497 176.600 -0.020 0.000 0.999 428 K CA 0.124 56.397 56.287 -0.024 0.000 0.908 428 K CB -0.404 32.087 32.500 -0.015 0.000 0.981 428 K HN 0.631 nan 8.250 nan 0.000 0.500 429 K N 1.920 122.301 120.400 -0.031 0.000 2.379 429 K HA 0.078 4.398 4.320 0.001 0.000 0.284 429 K C -0.285 176.311 176.600 -0.008 0.000 1.044 429 K CA -0.177 56.090 56.287 -0.033 0.000 0.974 429 K CB 0.783 33.240 32.500 -0.072 0.000 0.962 429 K HN 0.735 nan 8.250 nan 0.000 0.474 430 E N 2.909 123.119 120.200 0.017 0.000 2.152 430 E HA 0.072 4.422 4.350 0.001 0.000 0.285 430 E C -1.233 175.373 176.600 0.009 0.000 1.043 430 E CA -0.361 56.055 56.400 0.026 0.000 0.839 430 E CB 1.290 31.024 29.700 0.056 0.000 1.069 430 E HN 0.238 nan 8.360 nan 0.000 0.399 431 V N 6.974 126.893 119.914 0.008 0.000 2.328 431 V HA 0.348 4.468 4.120 0.001 0.000 0.278 431 V C -0.730 175.371 176.094 0.011 0.000 1.021 431 V CA -0.515 61.794 62.300 0.015 0.000 0.838 431 V CB 0.884 32.722 31.823 0.024 0.000 0.999 431 V HN 0.614 nan 8.190 nan 0.000 0.447 432 R N 5.860 126.356 120.500 -0.006 0.000 2.288 432 R HA 0.452 4.793 4.340 0.001 0.000 0.326 432 R C -0.724 175.568 176.300 -0.013 0.000 0.959 432 R CA -0.484 55.603 56.100 -0.023 0.000 0.834 432 R CB 1.161 31.421 30.300 -0.067 0.000 1.157 432 R HN 0.693 nan 8.270 nan 0.000 0.470 433 N N 1.558 120.268 118.700 0.016 0.000 2.499 433 N HA 0.401 5.141 4.740 0.001 0.000 0.281 433 N C -0.733 174.792 175.510 0.025 0.000 1.098 433 N CA 0.083 53.156 53.050 0.039 0.000 0.979 433 N CB 2.011 40.535 38.487 0.062 0.000 1.121 433 N HN 0.567 nan 8.380 nan 0.000 0.466 434 A N 1.077 123.919 122.820 0.037 0.000 2.520 434 A HA 0.551 4.871 4.320 0.001 0.000 0.298 434 A C -0.596 177.013 177.584 0.041 0.000 1.051 434 A CA -0.800 51.259 52.037 0.036 0.000 0.690 434 A CB 0.949 19.976 19.000 0.046 0.000 1.281 434 A HN 0.489 nan 8.150 nan 0.000 0.402 435 T N 0.906 115.466 114.554 0.010 0.000 2.749 435 T HA 0.617 4.968 4.350 0.001 0.000 0.287 435 T C -0.229 174.446 174.700 -0.041 0.000 0.970 435 T CA -0.267 61.819 62.100 -0.022 0.000 0.980 435 T CB 0.180 69.023 68.868 -0.041 0.000 0.924 435 T HN 1.016 nan 8.240 nan 0.000 0.456 436 I N -0.953 119.565 120.570 -0.086 0.000 2.608 436 I HA 0.559 4.730 4.170 0.001 0.000 0.295 436 I C -0.016 175.952 176.117 -0.248 0.000 1.049 436 I CA -1.599 59.607 61.300 -0.157 0.000 1.063 436 I CB 1.413 39.305 38.000 -0.180 0.000 1.248 436 I HN 0.389 nan 8.210 nan 0.000 0.424 437 R N 2.616 122.986 120.500 -0.216 0.000 2.585 437 R HA 0.365 4.706 4.340 0.001 0.000 0.275 437 R C 0.522 176.634 176.300 -0.313 0.000 1.018 437 R CA 0.457 56.439 56.100 -0.197 0.000 1.072 437 R CB 0.319 30.540 30.300 -0.131 0.000 0.953 437 R HN 1.044 nan 8.270 nan 0.000 0.419 438 G N 0.547 109.221 108.800 -0.211 0.000 2.562 438 G HA2 0.541 4.502 3.960 0.001 0.000 0.275 438 G HA3 0.541 4.502 3.960 0.001 0.000 0.275 438 G C -1.004 173.898 174.900 0.002 0.000 1.196 438 G CA -0.133 44.871 45.100 -0.160 0.000 0.908 438 G HN 0.708 nan 8.290 nan 0.000 0.524 439 A N -0.273 122.668 122.820 0.203 0.000 2.605 439 A HA 0.589 4.910 4.320 0.001 0.000 0.294 439 A C -0.458 177.260 177.584 0.224 0.000 1.062 439 A CA -0.631 51.521 52.037 0.192 0.000 0.682 439 A CB 1.173 20.272 19.000 0.165 0.000 1.278 439 A HN 0.700 nan 8.150 nan 0.000 0.410 440 E N 2.004 122.264 120.200 0.099 0.000 1.939 440 E HA 0.201 4.552 4.350 0.001 0.000 0.259 440 E C -0.760 175.853 176.600 0.022 0.000 1.259 440 E CA 0.274 56.703 56.400 0.047 0.000 0.971 440 E CB -0.429 29.274 29.700 0.006 0.000 1.055 440 E HN 0.456 nan 8.360 nan 0.000 0.420 441 D N 2.257 122.692 120.400 0.058 0.000 2.828 441 D HA -0.169 4.471 4.640 0.001 0.000 0.241 441 D C -1.097 175.044 176.300 -0.265 0.000 1.142 441 D CA 0.790 54.786 54.000 -0.007 0.000 0.755 441 D CB -1.005 39.819 40.800 0.041 0.000 1.014 441 D HN 0.252 nan 8.370 nan 0.000 0.420 442 S N -0.633 114.846 115.700 -0.369 0.000 2.570 442 S HA 0.586 5.057 4.470 0.001 0.000 0.286 442 S C -0.170 173.806 174.600 -1.040 0.000 1.099 442 S CA -0.506 57.350 58.200 -0.573 0.000 0.913 442 S CB 1.610 64.682 63.200 -0.212 0.000 1.085 442 S HN 0.179 nan 8.310 nan 0.000 0.480 443 T N 2.664 116.696 114.554 -0.871 0.000 2.851 443 T HA 0.399 4.749 4.350 0.001 0.000 0.298 443 T C -0.627 173.663 174.700 -0.683 0.000 0.977 443 T CA -0.051 61.567 62.100 -0.804 0.000 1.126 443 T CB -0.143 68.441 68.868 -0.473 0.000 0.916 443 T HN 0.493 nan 8.240 nan 0.000 0.529 444 Y N 0.488 120.381 120.300 -0.679 0.000 2.419 444 Y HA 0.396 4.946 4.550 0.001 0.000 0.328 444 Y C 0.998 176.659 175.900 -0.398 0.000 1.162 444 Y CA -1.256 56.428 58.100 -0.693 0.000 1.174 444 Y CB 1.524 39.381 38.460 -1.005 0.000 1.228 444 Y HN 0.680 nan 8.280 nan 0.000 0.473 445 H N 1.609 120.599 119.070 -0.133 0.000 2.991 445 H HA 0.458 5.015 4.556 0.001 0.000 0.304 445 H C -1.468 173.891 175.328 0.053 0.000 1.040 445 H CA -0.631 55.401 56.048 -0.027 0.000 1.410 445 H CB 1.869 31.613 29.762 -0.029 0.000 1.529 445 H HN 0.372 nan 8.280 nan 0.000 0.509 446 V N 2.694 122.753 119.914 0.243 0.000 2.789 446 V HA 0.615 4.736 4.120 0.001 0.000 0.311 446 V C -0.605 175.575 176.094 0.143 0.000 1.073 446 V CA -0.588 61.844 62.300 0.219 0.000 0.921 446 V CB 1.715 33.740 31.823 0.337 0.000 1.009 446 V HN 0.831 nan 8.190 nan 0.000 0.426 447 A N 5.712 128.575 122.820 0.072 0.000 2.409 447 A HA 0.646 4.967 4.320 0.001 0.000 0.267 447 A C -0.489 177.091 177.584 -0.007 0.000 1.127 447 A CA -0.121 51.932 52.037 0.027 0.000 0.795 447 A CB 0.479 19.489 19.000 0.016 0.000 1.061 447 A HN 0.881 nan 8.150 nan 0.000 0.502 448 V N 4.530 124.421 119.914 -0.038 0.000 2.459 448 V HA 0.488 4.609 4.120 0.001 0.000 0.295 448 V C -0.435 175.628 176.094 -0.053 0.000 1.029 448 V CA -0.506 61.737 62.300 -0.095 0.000 0.874 448 V CB 1.536 33.227 31.823 -0.220 0.000 0.985 448 V HN 1.093 nan 8.190 nan 0.000 0.438 449 D N 2.926 123.297 120.400 -0.049 0.000 2.732 449 D HA 0.374 5.014 4.640 0.001 0.000 0.292 449 D C -0.631 175.656 176.300 -0.021 0.000 1.135 449 D CA -1.020 52.967 54.000 -0.021 0.000 1.071 449 D CB 1.166 41.963 40.800 -0.005 0.000 1.457 449 D HN 0.391 nan 8.370 nan 0.000 0.547 450 K N -0.323 120.081 120.400 0.006 0.000 3.244 450 K HA -0.134 4.187 4.320 0.001 0.000 0.270 450 K C -0.746 175.875 176.600 0.035 0.000 1.016 450 K CA 0.379 56.680 56.287 0.024 0.000 0.754 450 K CB -1.744 30.769 32.500 0.021 0.000 1.326 450 K HN 0.382 nan 8.250 nan 0.000 0.465 451 L N 0.599 121.847 121.223 0.042 0.000 2.362 451 L HA 0.387 4.728 4.340 0.001 0.000 0.271 451 L C 0.287 177.283 176.870 0.210 0.000 1.002 451 L CA -1.318 53.583 54.840 0.101 0.000 0.818 451 L CB 1.482 43.467 42.059 -0.124 0.000 1.298 451 L HN 0.017 nan 8.230 nan 0.000 0.420 452 N N 2.276 121.167 118.700 0.319 0.000 2.497 452 N HA 0.212 4.952 4.740 0.001 0.000 0.268 452 N C -2.463 173.182 175.510 0.225 0.000 1.171 452 N CA -1.363 51.813 53.050 0.209 0.000 0.948 452 N CB 0.221 38.791 38.487 0.138 0.000 1.069 452 N HN 0.259 nan 8.380 nan 0.000 0.460 453 P HA -0.059 nan 4.420 nan 0.000 0.265 453 P C -0.325 177.116 177.300 0.235 0.000 1.187 453 P CA 0.287 63.494 63.100 0.179 0.000 0.766 453 P CB 0.082 31.857 31.700 0.126 0.000 0.820 454 Y N 0.409 120.745 120.300 0.059 0.000 3.018 454 Y HA -0.230 4.321 4.550 0.001 0.000 0.181 454 Y C -0.787 175.108 175.900 -0.009 0.000 1.542 454 Y CA 0.934 59.044 58.100 0.015 0.000 0.975 454 Y CB -2.022 36.438 38.460 0.000 0.000 1.379 454 Y HN 0.345 nan 8.280 nan 0.000 0.423 455 T N 0.134 114.649 114.554 -0.066 0.000 2.912 455 T HA 0.744 5.094 4.350 0.001 0.000 0.299 455 T C 0.207 174.741 174.700 -0.276 0.000 1.052 455 T CA -0.407 61.572 62.100 -0.202 0.000 0.996 455 T CB 1.877 70.603 68.868 -0.235 0.000 1.070 455 T HN 0.710 nan 8.240 nan 0.000 0.465 456 A N 2.348 124.957 122.820 -0.353 0.000 3.076 456 A HA 0.305 4.626 4.320 0.001 0.000 0.269 456 A C -0.469 176.910 177.584 -0.342 0.000 1.916 456 A CA -0.028 51.825 52.037 -0.308 0.000 1.492 456 A CB -1.297 17.547 19.000 -0.260 0.000 1.000 456 A HN 0.764 nan 8.150 nan 0.000 0.615 457 Y N 0.679 120.817 120.300 -0.271 0.000 2.359 457 Y HA 0.267 4.818 4.550 0.001 0.000 0.334 457 Y C 0.862 176.431 175.900 -0.552 0.000 1.058 457 Y CA 0.374 58.237 58.100 -0.394 0.000 1.244 457 Y CB 1.310 39.490 38.460 -0.466 0.000 1.187 457 Y HN 0.409 nan 8.280 nan 0.000 0.510 458 T N 5.374 119.769 114.554 -0.265 0.000 2.758 458 T HA 0.446 4.797 4.350 0.001 0.000 0.285 458 T C -0.598 174.015 174.700 -0.145 0.000 0.981 458 T CA -0.577 61.396 62.100 -0.213 0.000 0.965 458 T CB 0.239 69.047 68.868 -0.100 0.000 0.927 458 T HN 0.321 nan 8.240 nan 0.000 0.448 459 F N 1.779 121.819 119.950 0.150 0.000 2.497 459 F HA 0.741 5.269 4.527 0.001 0.000 0.331 459 F C 1.030 176.914 175.800 0.140 0.000 1.060 459 F CA -1.402 56.686 58.000 0.146 0.000 0.989 459 F CB 1.665 40.888 39.000 0.372 0.000 1.245 459 F HN 0.150 nan 8.300 nan 0.000 0.486 460 R N 0.725 121.416 120.500 0.318 0.000 2.629 460 R HA 0.635 4.975 4.340 0.001 0.000 0.266 460 R C -1.928 174.501 176.300 0.215 0.000 1.051 460 R CA -0.814 55.455 56.100 0.281 0.000 0.895 460 R CB 2.744 33.137 30.300 0.155 0.000 1.246 460 R HN 0.426 nan 8.270 nan 0.000 0.459 461 V N 1.545 121.594 119.914 0.225 0.000 3.126 461 V HA 0.702 4.823 4.120 0.001 0.000 0.314 461 V C -0.850 175.150 176.094 -0.156 0.000 1.138 461 V CA -0.688 61.551 62.300 -0.102 0.000 1.034 461 V CB 2.379 33.924 31.823 -0.463 0.000 1.075 461 V HN 0.656 nan 8.190 nan 0.000 0.442 462 R N 1.721 121.973 120.500 -0.412 0.000 2.678 462 R HA 0.429 4.769 4.340 0.001 0.000 0.267 462 R C -2.341 173.860 176.300 -0.165 0.000 1.173 462 R CA -0.287 55.490 56.100 -0.537 0.000 1.061 462 R CB 1.123 30.446 30.300 -1.629 0.000 1.262 462 R HN 0.740 nan 8.270 nan 0.000 0.427 463 c N 2.708 121.368 118.600 0.100 0.000 2.396 463 c HA 0.708 5.279 4.570 0.001 0.000 0.321 463 c C 0.307 174.509 174.090 0.186 0.000 1.233 463 c CA -0.449 56.027 56.329 0.245 0.000 1.440 463 c CB 1.525 44.215 42.510 0.300 0.000 2.110 463 c HN 0.868 nan 8.230 nan 0.000 0.473 464 S N 1.999 117.683 115.700 -0.027 0.000 2.810 464 S HA 0.787 5.257 4.470 0.001 0.000 0.315 464 S C -0.488 173.950 174.600 -0.269 0.000 1.138 464 S CA -0.367 57.627 58.200 -0.343 0.000 0.889 464 S CB 1.673 64.224 63.200 -1.082 0.000 1.236 464 S HN 0.791 nan 8.310 nan 0.000 0.548 465 S N -0.146 115.413 115.700 -0.234 0.000 2.585 465 S HA 0.391 4.862 4.470 0.001 0.000 0.277 465 S C 0.261 174.744 174.600 -0.195 0.000 1.241 465 S CA -0.547 57.558 58.200 -0.158 0.000 1.041 465 S CB 0.814 63.990 63.200 -0.040 0.000 0.987 465 S HN 0.709 nan 8.310 nan 0.000 0.512 466 K N 2.293 122.587 120.400 -0.176 0.000 2.914 466 K HA 0.054 4.374 4.320 0.001 0.000 0.246 466 K C 0.619 177.111 176.600 -0.181 0.000 0.949 466 K CA 0.564 56.721 56.287 -0.217 0.000 1.136 466 K CB -1.005 31.394 32.500 -0.168 0.000 0.976 466 K HN 0.626 nan 8.250 nan 0.000 0.473 467 T N -3.139 111.340 114.554 -0.125 0.000 3.448 467 T HA 0.239 4.590 4.350 0.001 0.000 0.271 467 T C 0.871 175.606 174.700 0.057 0.000 1.002 467 T CA -0.705 61.368 62.100 -0.045 0.000 0.995 467 T CB -0.848 68.017 68.868 -0.006 0.000 1.153 467 T HN 0.200 nan 8.240 nan 0.000 0.510 468 F N 1.045 120.939 119.950 -0.094 0.000 2.652 468 F HA -0.490 4.038 4.527 0.001 0.000 0.240 468 F C 1.847 177.583 175.800 -0.106 0.000 1.342 468 F CA 2.503 60.395 58.000 -0.180 0.000 1.809 468 F CB -0.815 38.139 39.000 -0.077 0.000 0.593 468 F HN 0.548 nan 8.300 nan 0.000 0.396 469 W N 0.276 121.604 121.300 0.046 0.000 2.259 469 W HA -0.435 4.225 4.660 0.001 0.000 0.293 469 W C 0.286 176.731 176.519 -0.123 0.000 1.351 469 W CA 1.648 58.968 57.345 -0.041 0.000 1.295 469 W CB -1.316 28.116 29.460 -0.047 0.000 0.892 469 W HN 0.232 nan 8.180 nan 0.000 0.520 470 K N -0.047 119.910 120.400 -0.739 0.000 2.106 470 K HA 0.275 4.595 4.320 0.001 0.000 0.246 470 K C -0.456 175.860 176.600 -0.474 0.000 0.987 470 K CA -0.602 55.220 56.287 -0.774 0.000 0.904 470 K CB 0.862 32.751 32.500 -1.020 0.000 1.071 470 K HN 0.223 nan 8.250 nan 0.000 0.453 471 W N 0.304 121.467 121.300 -0.228 0.000 2.298 471 W HA 0.197 4.857 4.660 0.001 0.000 0.358 471 W C 0.512 176.956 176.519 -0.125 0.000 1.241 471 W CA -0.329 56.921 57.345 -0.158 0.000 1.385 471 W CB 1.151 30.490 29.460 -0.200 0.000 1.225 471 W HN 0.513 nan 8.180 nan 0.000 0.654 472 S N 1.329 117.207 115.700 0.296 0.000 2.601 472 S HA 0.469 4.939 4.470 0.001 0.000 0.271 472 S C 0.056 174.690 174.600 0.057 0.000 1.305 472 S CA -0.787 57.507 58.200 0.157 0.000 1.022 472 S CB 0.879 64.166 63.200 0.145 0.000 0.940 472 S HN 0.486 nan 8.310 nan 0.000 0.525 473 R N 0.714 121.261 120.500 0.078 0.000 2.679 473 R HA 0.043 4.384 4.340 0.001 0.000 0.268 473 R C -0.531 175.785 176.300 0.027 0.000 1.044 473 R CA -0.036 56.103 56.100 0.064 0.000 1.105 473 R CB 0.341 30.710 30.300 0.115 0.000 0.989 473 R HN 0.735 nan 8.270 nan 0.000 0.447 474 W N 2.915 124.226 121.300 0.017 0.000 2.505 474 W HA -0.079 4.582 4.660 0.001 0.000 0.332 474 W C 0.946 177.473 176.519 0.013 0.000 1.434 474 W CA 0.115 57.450 57.345 -0.017 0.000 1.320 474 W CB 0.350 29.778 29.460 -0.052 0.000 1.363 474 W HN 0.589 nan 8.180 nan 0.000 0.565 475 S N 2.940 118.840 115.700 0.334 0.000 2.563 475 S HA -0.058 4.413 4.470 0.001 0.000 0.269 475 S C 0.414 175.145 174.600 0.219 0.000 1.364 475 S CA -0.657 57.680 58.200 0.228 0.000 1.010 475 S CB 0.699 64.010 63.200 0.185 0.000 0.877 475 S HN 0.497 nan 8.310 nan 0.000 0.549 476 D N 1.154 121.650 120.400 0.161 0.000 2.354 476 D HA 0.078 4.719 4.640 0.001 0.000 0.238 476 D C 0.320 176.707 176.300 0.144 0.000 1.250 476 D CA 0.318 54.395 54.000 0.127 0.000 0.911 476 D CB 0.369 41.226 40.800 0.096 0.000 1.163 476 D HN 0.665 nan 8.370 nan 0.000 0.456 477 E N 0.033 120.298 120.200 0.108 0.000 2.331 477 E HA 0.466 4.816 4.350 0.001 0.000 0.272 477 E C -0.052 176.629 176.600 0.135 0.000 1.036 477 E CA -0.410 56.059 56.400 0.115 0.000 0.864 477 E CB 0.750 30.485 29.700 0.058 0.000 1.035 477 E HN 0.340 nan 8.360 nan 0.000 0.408 478 K N 3.011 123.528 120.400 0.194 0.000 2.640 478 K HA 0.268 4.589 4.320 0.001 0.000 0.245 478 K C -0.567 176.156 176.600 0.206 0.000 0.962 478 K CA -0.867 55.537 56.287 0.196 0.000 0.896 478 K CB 0.713 33.346 32.500 0.220 0.000 1.147 478 K HN 0.639 nan 8.250 nan 0.000 0.445 479 R N 0.915 121.485 120.500 0.116 0.000 2.500 479 R HA 0.778 5.119 4.340 0.001 0.000 0.277 479 R C -0.399 175.985 176.300 0.138 0.000 1.026 479 R CA -0.726 55.407 56.100 0.055 0.000 1.058 479 R CB 1.295 31.590 30.300 -0.009 0.000 1.078 479 R HN 0.725 nan 8.270 nan 0.000 0.509 480 H N 2.237 121.266 119.070 -0.069 0.000 3.153 480 H HA 0.160 4.716 4.556 0.001 0.000 0.323 480 H C -1.490 173.819 175.328 -0.032 0.000 1.096 480 H CA -0.729 55.314 56.048 -0.009 0.000 1.385 480 H CB 1.295 31.123 29.762 0.111 0.000 2.027 480 H HN 0.717 nan 8.280 nan 0.000 0.499 481 L N 2.266 123.092 121.223 -0.661 0.000 2.439 481 L HA 0.652 4.992 4.340 0.001 0.000 0.259 481 L C 0.133 176.701 176.870 -0.503 0.000 1.129 481 L CA -0.480 54.071 54.840 -0.481 0.000 0.803 481 L CB 1.111 42.912 42.059 -0.431 0.000 1.161 481 L HN 0.481 nan 8.230 nan 0.000 0.462 482 T N -0.295 114.198 114.554 -0.102 0.000 3.018 482 T HA 0.335 4.685 4.350 0.001 0.000 0.338 482 T C 0.112 174.900 174.700 0.146 0.000 1.208 482 T CA -0.018 62.141 62.100 0.098 0.000 0.963 482 T CB 0.876 69.866 68.868 0.204 0.000 1.697 482 T HN 0.877 nan 8.240 nan 0.000 0.560 483 T N -0.668 114.010 114.554 0.206 0.000 2.831 483 T HA 0.447 4.797 4.350 0.001 0.000 0.287 483 T C -1.295 173.494 174.700 0.149 0.000 1.070 483 T CA -0.798 61.421 62.100 0.198 0.000 1.010 483 T CB 1.594 70.550 68.868 0.146 0.000 1.264 483 T HN 0.392 nan 8.240 nan 0.000 0.532 484 E N -0.236 120.001 120.200 0.061 0.000 2.284 484 E HA 0.637 4.988 4.350 0.001 0.000 0.255 484 E C 0.825 177.422 176.600 -0.005 0.000 1.052 484 E CA -0.327 56.058 56.400 -0.025 0.000 0.904 484 E CB 1.623 31.245 29.700 -0.130 0.000 1.217 484 E HN 0.693 nan 8.360 nan 0.000 0.438 485 A N 0.480 123.285 122.820 -0.025 0.000 1.844 485 A HA 0.063 4.383 4.320 0.001 0.000 0.212 485 A C 0.801 178.376 177.584 -0.015 0.000 1.221 485 A CA 1.301 53.332 52.037 -0.011 0.000 0.607 485 A CB -0.017 18.975 19.000 -0.014 0.000 0.878 485 A HN 0.536 nan 8.150 nan 0.000 0.451 486 T N 0.000 114.535 114.554 -0.032 0.000 3.816 486 T HA 0.000 4.351 4.350 0.001 0.000 0.228 486 T CA 0.000 62.082 62.100 -0.030 0.000 1.349 486 T CB 0.000 68.856 68.868 -0.020 0.000 0.612 486 T HN 0.000 nan 8.240 nan 0.000 0.658