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 3hl9_1_D DATA FIRST_RESID 10 DATA SEQUENCE AADPVVLMET AFRKAVKSRQ IPGAVIMARD ASGNLNYTRC FGARTVRRDE DATA SEQUENCE NNQLPPLQVD TPCRLASATK LLTTIMALQC MERGLVDLDE TVDRLLPDLS DATA SEQUENCE AMPVLEGFDD AGNARLRERR GKITLRHLLT HTSGLSYVFL HPLLREYMAQ DATA SEQUENCE GHLQSAEKFG IQSRLAPPAV NDPGAEWIYG ANLDWAGKLV ERATGLDLEQ DATA SEQUENCE YLQENICAPL GITDMTFKLQ QRPDMLARRA DQTHRNSADG RLRYDXXXXX DATA SEQUENCE XXXXXXCFGG QGVFSGPGSY MKVLHSLLKR DGLLLQPQTV DLMFQPALEP DATA SEQUENCE RLEEQMNQHM DASPHINYGG PMPMVLRRSF GLGGIIALED LDGENWRRKG DATA SEQUENCE SLTFGGGPNI VWQIDPKAGL CTLAFFQLEP WNDPVCRDLT RTFEHAIYAQ DATA SEQUENCE YQQG 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 10 A HA 0.000 nan 4.320 nan 0.000 0.244 10 A C 0.000 177.621 177.584 0.062 0.000 1.274 10 A CA 0.000 52.086 52.037 0.082 0.000 0.836 10 A CB 0.000 19.068 19.000 0.113 0.000 0.831 11 A N 1.044 123.895 122.820 0.052 0.000 2.406 11 A HA 0.457 4.778 4.320 0.001 0.000 0.243 11 A C 0.840 178.447 177.584 0.039 0.000 1.082 11 A CA 0.675 52.734 52.037 0.037 0.000 0.786 11 A CB -0.128 18.886 19.000 0.024 0.000 1.029 11 A HN 0.838 nan 8.150 nan 0.000 0.495 12 D N 1.041 121.460 120.400 0.030 0.000 2.126 12 D HA -0.128 4.512 4.640 0.001 0.000 0.190 12 D C -0.704 175.615 176.300 0.032 0.000 1.001 12 D CA 2.394 56.412 54.000 0.029 0.000 0.841 12 D CB -1.457 39.356 40.800 0.021 0.000 0.949 12 D HN 0.445 nan 8.370 nan 0.000 0.446 13 P HA -0.037 nan 4.420 nan 0.000 0.217 13 P C 1.626 178.953 177.300 0.045 0.000 1.151 13 P CA 0.560 63.677 63.100 0.029 0.000 0.828 13 P CB 0.136 31.848 31.700 0.021 0.000 0.788 14 V N -0.022 119.917 119.914 0.042 0.000 2.667 14 V HA -0.143 3.978 4.120 0.001 0.000 0.252 14 V C 2.508 178.674 176.094 0.120 0.000 1.065 14 V CA 1.775 64.112 62.300 0.061 0.000 1.083 14 V CB -1.160 30.671 31.823 0.013 0.000 0.692 14 V HN 0.046 nan 8.190 nan 0.000 0.468 15 V N -2.216 117.758 119.914 0.100 0.000 2.488 15 V HA -0.089 4.032 4.120 0.001 0.000 0.246 15 V C 2.168 178.321 176.094 0.099 0.000 1.046 15 V CA 1.310 63.675 62.300 0.108 0.000 1.053 15 V CB -0.752 31.121 31.823 0.083 0.000 0.679 15 V HN 0.400 nan 8.190 nan 0.000 0.458 16 L N -0.577 120.692 121.223 0.076 0.000 2.046 16 L HA -0.157 4.184 4.340 0.001 0.000 0.208 16 L C 2.869 179.791 176.870 0.086 0.000 1.077 16 L CA 2.444 57.321 54.840 0.062 0.000 0.747 16 L CB -0.573 41.509 42.059 0.038 0.000 0.896 16 L HN 0.371 nan 8.230 nan 0.000 0.432 17 M N 0.221 119.893 119.600 0.120 0.000 2.065 17 M HA -0.250 4.231 4.480 0.001 0.000 0.259 17 M C 2.078 178.524 176.300 0.244 0.000 1.069 17 M CA 1.997 57.416 55.300 0.199 0.000 1.110 17 M CB -0.346 32.390 32.600 0.227 0.000 1.328 17 M HN 0.247 nan 8.290 nan 0.000 0.405 18 E N -0.452 119.874 120.200 0.210 0.000 2.118 18 E HA -0.198 4.152 4.350 0.001 0.000 0.195 18 E C 1.800 178.458 176.600 0.097 0.000 0.992 18 E CA 2.107 58.626 56.400 0.198 0.000 0.804 18 E CB -0.148 29.737 29.700 0.309 0.000 0.741 18 E HN 0.727 nan 8.360 nan 0.000 0.458 19 T N -1.432 113.185 114.554 0.105 0.000 2.985 19 T HA 0.103 4.454 4.350 0.001 0.000 0.266 19 T C 2.053 176.769 174.700 0.027 0.000 1.076 19 T CA 0.688 62.828 62.100 0.066 0.000 1.135 19 T CB -0.015 68.891 68.868 0.064 0.000 0.890 19 T HN 0.132 nan 8.240 nan 0.000 0.480 20 A N 0.757 123.601 122.820 0.039 0.000 1.972 20 A HA 0.126 4.447 4.320 0.001 0.000 0.219 20 A C 1.940 179.475 177.584 -0.083 0.000 1.169 20 A CA 1.018 53.048 52.037 -0.011 0.000 0.635 20 A CB -1.091 17.908 19.000 -0.002 0.000 0.810 20 A HN 0.478 nan 8.150 nan 0.000 0.446 21 F N -0.587 119.205 119.950 -0.263 0.000 2.113 21 F HA -0.069 4.459 4.527 0.001 0.000 0.297 21 F C 2.437 178.006 175.800 -0.386 0.000 1.103 21 F CA 1.805 59.539 58.000 -0.444 0.000 1.248 21 F CB -0.202 38.158 39.000 -1.067 0.000 0.999 21 F HN 0.104 nan 8.300 nan 0.000 0.475 22 R N 1.038 121.449 120.500 -0.147 0.000 2.115 22 R HA -0.121 4.220 4.340 0.001 0.000 0.230 22 R C 2.161 178.464 176.300 0.006 0.000 1.111 22 R CA 1.187 57.279 56.100 -0.013 0.000 0.976 22 R CB -0.481 29.866 30.300 0.077 0.000 0.870 22 R HN 0.172 nan 8.270 nan 0.000 0.445 23 K N -0.323 120.065 120.400 -0.019 0.000 2.002 23 K HA -0.103 4.218 4.320 0.001 0.000 0.209 23 K C 1.767 178.346 176.600 -0.035 0.000 1.048 23 K CA 1.646 57.919 56.287 -0.022 0.000 0.930 23 K CB -0.252 32.228 32.500 -0.033 0.000 0.714 23 K HN 0.188 nan 8.250 nan 0.000 0.438 24 A N 0.951 123.728 122.820 -0.072 0.000 1.972 24 A HA -0.079 4.242 4.320 0.001 0.000 0.219 24 A C 2.263 179.832 177.584 -0.025 0.000 1.169 24 A CA 1.481 53.471 52.037 -0.079 0.000 0.635 24 A CB -0.480 18.427 19.000 -0.155 0.000 0.810 24 A HN 0.204 nan 8.150 nan 0.000 0.446 25 V N 0.038 119.956 119.914 0.007 0.000 2.358 25 V HA -0.233 3.888 4.120 0.001 0.000 0.246 25 V C 2.530 178.651 176.094 0.044 0.000 1.047 25 V CA 2.378 64.712 62.300 0.055 0.000 1.035 25 V CB -0.533 31.352 31.823 0.105 0.000 0.658 25 V HN 0.731 nan 8.190 nan 0.000 0.452 26 K N 0.906 121.326 120.400 0.033 0.000 2.116 26 K HA -0.096 4.225 4.320 0.001 0.000 0.203 26 K C 1.900 178.510 176.600 0.016 0.000 1.052 26 K CA 1.382 57.686 56.287 0.029 0.000 0.952 26 K CB -0.171 32.346 32.500 0.028 0.000 0.729 26 K HN 0.559 nan 8.250 nan 0.000 0.446 27 S N 0.353 116.056 115.700 0.004 0.000 2.803 27 S HA 0.132 4.602 4.470 0.001 0.000 0.228 27 S C 0.236 174.834 174.600 -0.004 0.000 0.953 27 S CA -0.088 58.109 58.200 -0.004 0.000 0.983 27 S CB -0.023 63.166 63.200 -0.017 0.000 0.784 27 S HN 0.336 nan 8.310 nan 0.000 0.498 28 R N 0.153 120.657 120.500 0.007 0.000 3.847 28 R HA -0.204 4.137 4.340 0.001 0.000 0.304 28 R C 1.108 177.408 176.300 -0.000 0.000 1.203 28 R CA 1.321 57.428 56.100 0.012 0.000 0.835 28 R CB -2.545 27.763 30.300 0.013 0.000 1.253 28 R HN 0.716 nan 8.270 nan 0.000 0.516 29 Q N -0.412 119.378 119.800 -0.016 0.000 2.096 29 Q HA 0.101 4.441 4.340 0.001 0.000 0.197 29 Q C 1.137 177.117 176.000 -0.034 0.000 0.964 29 Q CA 1.557 57.336 55.803 -0.039 0.000 0.838 29 Q CB 0.183 28.881 28.738 -0.067 0.000 0.906 29 Q HN 0.655 nan 8.270 nan 0.000 0.444 30 I N -4.459 116.109 120.570 -0.002 0.000 2.892 30 I HA 0.366 4.537 4.170 0.001 0.000 0.306 30 I C -2.434 173.735 176.117 0.087 0.000 1.078 30 I CA -2.701 58.627 61.300 0.046 0.000 1.032 30 I CB 1.923 39.985 38.000 0.102 0.000 1.229 30 I HN -0.243 nan 8.210 nan 0.000 0.435 31 P HA 0.227 nan 4.420 nan 0.000 0.219 31 P C 0.387 177.773 177.300 0.145 0.000 1.154 31 P CA 0.676 63.849 63.100 0.122 0.000 0.826 31 P CB 0.200 31.978 31.700 0.130 0.000 0.795 32 G N -1.915 107.001 108.800 0.193 0.000 2.321 32 G HA2 0.526 4.486 3.960 0.001 0.000 0.298 32 G HA3 0.526 4.486 3.960 0.001 0.000 0.298 32 G C -2.134 172.879 174.900 0.189 0.000 1.385 32 G CA -0.012 45.210 45.100 0.202 0.000 0.856 32 G HN 0.181 nan 8.290 nan 0.000 0.584 33 A N -0.921 121.979 122.820 0.133 0.000 2.566 33 A HA 0.778 5.099 4.320 0.001 0.000 0.297 33 A C -1.149 176.403 177.584 -0.055 0.000 1.059 33 A CA -0.401 51.563 52.037 -0.122 0.000 0.691 33 A CB 1.731 20.541 19.000 -0.316 0.000 1.282 33 A HN 1.818 nan 8.150 nan 0.000 0.401 34 V N 3.382 123.207 119.914 -0.149 0.000 2.398 34 V HA 0.618 4.739 4.120 0.001 0.000 0.286 34 V C 0.016 175.995 176.094 -0.191 0.000 1.026 34 V CA -0.233 61.962 62.300 -0.174 0.000 0.868 34 V CB 0.915 32.626 31.823 -0.187 0.000 0.982 34 V HN 0.838 nan 8.190 nan 0.000 0.443 35 I N 2.453 122.865 120.570 -0.263 0.000 2.689 35 I HA 0.863 5.033 4.170 0.001 0.000 0.299 35 I C -0.834 175.222 176.117 -0.100 0.000 1.059 35 I CA -0.938 60.159 61.300 -0.339 0.000 1.055 35 I CB 2.428 39.941 38.000 -0.811 0.000 1.243 35 I HN 0.525 nan 8.210 nan 0.000 0.425 36 M N 4.469 124.158 119.600 0.147 0.000 2.365 36 M HA 0.748 5.229 4.480 0.001 0.000 0.287 36 M C -1.138 175.458 176.300 0.492 0.000 1.154 36 M CA -0.427 55.043 55.300 0.283 0.000 0.941 36 M CB 2.374 35.057 32.600 0.138 0.000 1.704 36 M HN 0.854 nan 8.290 nan 0.000 0.479 37 A N 2.266 125.343 122.820 0.429 0.000 2.435 37 A HA 1.025 5.346 4.320 0.001 0.000 0.304 37 A C -1.177 176.450 177.584 0.071 0.000 1.064 37 A CA -0.648 51.537 52.037 0.246 0.000 0.727 37 A CB 2.021 21.100 19.000 0.132 0.000 1.284 37 A HN 0.821 nan 8.150 nan 0.000 0.415 38 R N 0.138 120.617 120.500 -0.035 0.000 2.710 38 R HA 0.595 4.935 4.340 0.001 0.000 0.270 38 R C -1.789 174.432 176.300 -0.132 0.000 1.021 38 R CA -0.401 55.619 56.100 -0.133 0.000 0.889 38 R CB 1.820 31.930 30.300 -0.316 0.000 1.243 38 R HN 0.944 nan 8.270 nan 0.000 0.464 39 D N 0.087 120.432 120.400 -0.092 0.000 2.477 39 D HA 0.363 5.003 4.640 0.001 0.000 0.234 39 D C 0.139 176.487 176.300 0.080 0.000 1.048 39 D CA -0.547 53.379 54.000 -0.123 0.000 0.959 39 D CB 1.483 42.044 40.800 -0.399 0.000 1.408 39 D HN 0.428 nan 8.370 nan 0.000 0.496 40 A N 0.569 123.412 122.820 0.038 0.000 2.024 40 A HA -0.123 4.198 4.320 0.001 0.000 0.220 40 A C 1.850 179.446 177.584 0.021 0.000 1.164 40 A CA 1.750 53.800 52.037 0.022 0.000 0.643 40 A CB -0.825 18.181 19.000 0.011 0.000 0.806 40 A HN 0.528 nan 8.150 nan 0.000 0.451 41 S N -1.440 114.298 115.700 0.063 0.000 2.547 41 S HA 0.233 4.704 4.470 0.001 0.000 0.235 41 S C 1.809 176.445 174.600 0.059 0.000 0.980 41 S CA 1.124 59.361 58.200 0.061 0.000 0.941 41 S CB -0.340 62.918 63.200 0.096 0.000 0.763 41 S HN 1.560 nan 8.310 nan 0.000 0.532 42 G N 2.634 111.491 108.800 0.096 0.000 2.507 42 G HA2 -0.490 3.471 3.960 0.001 0.000 0.240 42 G HA3 -0.490 3.471 3.960 0.001 0.000 0.240 42 G C 0.979 175.960 174.900 0.136 0.000 1.119 42 G CA 0.936 46.133 45.100 0.163 0.000 0.664 42 G HN 0.719 nan 8.290 nan 0.000 0.516 43 N N 0.680 119.436 118.700 0.093 0.000 2.142 43 N HA 0.138 4.879 4.740 0.001 0.000 0.186 43 N C 1.252 176.801 175.510 0.065 0.000 1.023 43 N CA 1.356 54.452 53.050 0.077 0.000 0.852 43 N CB -0.314 38.221 38.487 0.079 0.000 0.998 43 N HN 0.986 nan 8.380 nan 0.000 0.424 44 L N 1.211 122.462 121.223 0.047 0.000 2.462 44 L HA 0.278 4.618 4.340 0.001 0.000 0.272 44 L C -0.645 176.217 176.870 -0.013 0.000 1.166 44 L CA 0.435 55.273 54.840 -0.003 0.000 0.880 44 L CB -0.275 41.680 42.059 -0.172 0.000 1.142 44 L HN 0.365 nan 8.230 nan 0.000 0.473 45 N N 4.693 123.410 118.700 0.027 0.000 2.722 45 N HA 0.079 4.819 4.740 0.001 0.000 0.242 45 N C -1.938 173.616 175.510 0.073 0.000 1.398 45 N CA -0.394 52.665 53.050 0.015 0.000 0.755 45 N CB 0.217 38.702 38.487 -0.003 0.000 1.268 45 N HN 0.630 nan 8.380 nan 0.000 0.522 46 Y N 1.750 122.029 120.300 -0.035 0.000 2.330 46 Y HA 0.581 5.132 4.550 0.001 0.000 0.336 46 Y C -0.405 175.492 175.900 -0.005 0.000 1.036 46 Y CA -0.199 57.898 58.100 -0.004 0.000 1.125 46 Y CB 1.518 39.996 38.460 0.030 0.000 1.194 46 Y HN 0.226 nan 8.280 nan 0.000 0.469 47 T N 7.406 121.645 114.554 -0.526 0.000 3.798 47 T HA 0.474 4.825 4.350 0.001 0.000 0.339 47 T C -1.991 172.370 174.700 -0.566 0.000 0.967 47 T CA -0.879 60.977 62.100 -0.406 0.000 1.046 47 T CB 0.038 68.782 68.868 -0.206 0.000 1.092 47 T HN 0.676 nan 8.240 nan 0.000 0.465 48 R N 3.240 123.363 120.500 -0.629 0.000 2.538 48 R HA 0.569 4.910 4.340 0.001 0.000 0.292 48 R C -0.822 175.006 176.300 -0.785 0.000 1.008 48 R CA -0.557 55.112 56.100 -0.718 0.000 0.896 48 R CB 1.021 30.845 30.300 -0.794 0.000 1.187 48 R HN 0.673 nan 8.270 nan 0.000 0.440 49 C N 2.869 121.718 119.300 -0.750 0.000 2.365 49 C HA 0.718 5.179 4.460 0.001 0.000 0.351 49 C C -0.445 174.068 174.990 -0.795 0.000 1.240 49 C CA -0.471 58.191 59.018 -0.594 0.000 2.062 49 C CB -0.293 27.251 27.740 -0.327 0.000 2.387 49 C HN 0.638 nan 8.230 nan 0.000 0.537 50 F N 1.347 121.250 119.950 -0.079 0.000 2.547 50 F HA 0.691 5.218 4.527 0.001 0.000 0.316 50 F C 0.723 176.534 175.800 0.019 0.000 1.121 50 F CA 0.575 58.570 58.000 -0.008 0.000 0.911 50 F CB 1.284 40.319 39.000 0.059 0.000 1.179 50 F HN 1.050 nan 8.300 nan 0.000 0.443 51 G N 1.244 110.170 108.800 0.209 0.000 2.593 51 G HA2 0.271 4.232 3.960 0.001 0.000 0.237 51 G HA3 0.271 4.232 3.960 0.001 0.000 0.237 51 G C -0.994 173.964 174.900 0.097 0.000 1.312 51 G CA -0.446 44.744 45.100 0.151 0.000 0.896 51 G HN 1.290 nan 8.290 nan 0.000 0.574 52 A N -0.447 122.431 122.820 0.096 0.000 2.320 52 A HA 0.785 5.106 4.320 0.001 0.000 0.334 52 A C 1.381 179.018 177.584 0.090 0.000 1.147 52 A CA 0.695 52.779 52.037 0.079 0.000 0.820 52 A CB 1.113 20.157 19.000 0.075 0.000 1.218 52 A HN 1.649 nan 8.150 nan 0.000 0.482 53 R N 0.311 120.859 120.500 0.079 0.000 2.236 53 R HA 0.052 4.392 4.340 0.001 0.000 0.208 53 R C 0.483 176.855 176.300 0.120 0.000 1.036 53 R CA 1.505 57.661 56.100 0.094 0.000 1.001 53 R CB -0.101 30.244 30.300 0.075 0.000 0.896 53 R HN 0.585 nan 8.270 nan 0.000 0.464 54 T N -1.095 113.529 114.554 0.117 0.000 2.804 54 T HA 0.343 4.694 4.350 0.001 0.000 0.290 54 T C 0.498 175.277 174.700 0.131 0.000 1.099 54 T CA -0.304 61.883 62.100 0.146 0.000 1.011 54 T CB 1.931 70.896 68.868 0.162 0.000 1.291 54 T HN 0.005 nan 8.240 nan 0.000 0.523 55 V N -0.390 119.618 119.914 0.158 0.000 3.661 55 V HA 0.537 4.658 4.120 0.001 0.000 0.271 55 V C 0.907 177.062 176.094 0.102 0.000 1.315 55 V CA -0.004 62.370 62.300 0.125 0.000 1.072 55 V CB -0.467 31.435 31.823 0.132 0.000 0.830 55 V HN 0.682 nan 8.190 nan 0.000 0.443 56 R N 2.281 122.846 120.500 0.109 0.000 2.234 56 R HA 0.371 4.711 4.340 0.001 0.000 0.324 56 R C -0.054 176.235 176.300 -0.018 0.000 1.054 56 R CA -0.490 55.602 56.100 -0.013 0.000 0.912 56 R CB 0.563 30.747 30.300 -0.193 0.000 1.030 56 R HN 0.476 nan 8.270 nan 0.000 0.455 57 R N 3.030 123.512 120.500 -0.029 0.000 2.491 57 R HA 0.010 4.351 4.340 0.001 0.000 0.283 57 R C 0.205 176.486 176.300 -0.031 0.000 1.072 57 R CA -0.461 55.629 56.100 -0.016 0.000 1.048 57 R CB 0.405 30.698 30.300 -0.013 0.000 0.983 57 R HN 0.730 nan 8.270 nan 0.000 0.450 58 D N 1.903 122.293 120.400 -0.015 0.000 2.314 58 D HA -0.078 4.563 4.640 0.001 0.000 0.252 58 D C 0.401 176.689 176.300 -0.020 0.000 1.295 58 D CA -0.186 53.803 54.000 -0.018 0.000 0.995 58 D CB 0.417 41.214 40.800 -0.005 0.000 1.125 58 D HN 0.442 nan 8.370 nan 0.000 0.537 59 E N -1.193 118.997 120.200 -0.017 0.000 2.265 59 E HA -0.140 4.211 4.350 0.001 0.000 0.196 59 E C 0.830 177.424 176.600 -0.011 0.000 0.996 59 E CA 1.299 57.690 56.400 -0.015 0.000 0.832 59 E CB -0.490 29.203 29.700 -0.012 0.000 0.756 59 E HN 0.488 nan 8.360 nan 0.000 0.491 60 N N 0.046 118.742 118.700 -0.007 0.000 2.235 60 N HA 0.098 4.839 4.740 0.001 0.000 0.209 60 N C -0.277 175.231 175.510 -0.003 0.000 1.122 60 N CA -0.012 53.036 53.050 -0.004 0.000 0.845 60 N CB 0.449 38.934 38.487 -0.002 0.000 1.004 60 N HN 0.002 nan 8.380 nan 0.000 0.499 61 N N 0.704 119.401 118.700 -0.004 0.000 2.782 61 N HA -0.198 4.543 4.740 0.001 0.000 0.251 61 N C -1.333 174.179 175.510 0.003 0.000 1.101 61 N CA 0.933 53.981 53.050 -0.002 0.000 0.764 61 N CB -0.783 37.703 38.487 -0.002 0.000 1.122 61 N HN 0.532 nan 8.380 nan 0.000 0.561 62 Q N -0.386 119.417 119.800 0.005 0.000 2.413 62 Q HA 0.651 4.991 4.340 0.001 0.000 0.276 62 Q C -0.877 175.131 176.000 0.013 0.000 1.099 62 Q CA -1.248 54.561 55.803 0.010 0.000 0.814 62 Q CB 1.563 30.306 28.738 0.009 0.000 1.379 62 Q HN 0.161 nan 8.270 nan 0.000 0.436 63 L N -0.726 120.510 121.223 0.020 0.000 2.280 63 L HA 0.554 4.894 4.340 0.001 0.000 0.287 63 L C -2.436 174.452 176.870 0.030 0.000 1.023 63 L CA -2.183 52.673 54.840 0.027 0.000 0.819 63 L CB 0.101 42.183 42.059 0.039 0.000 1.212 63 L HN 0.411 nan 8.230 nan 0.000 0.420 64 P HA 0.156 nan 4.420 nan 0.000 0.265 64 P C -2.604 174.714 177.300 0.029 0.000 1.193 64 P CA -0.673 62.441 63.100 0.023 0.000 0.765 64 P CB -0.003 31.710 31.700 0.021 0.000 0.823 65 P HA 0.140 nan 4.420 nan 0.000 0.282 65 P C -0.369 176.937 177.300 0.009 0.000 1.249 65 P CA -0.492 62.619 63.100 0.020 0.000 0.806 65 P CB 0.549 32.253 31.700 0.007 0.000 0.984 66 L N 0.731 121.962 121.223 0.014 0.000 2.439 66 L HA 0.606 4.947 4.340 0.001 0.000 0.261 66 L C 0.284 177.122 176.870 -0.053 0.000 1.153 66 L CA 0.063 54.899 54.840 -0.007 0.000 0.808 66 L CB -0.426 41.642 42.059 0.014 0.000 1.126 66 L HN 0.602 nan 8.230 nan 0.000 0.460 67 Q N 0.319 120.070 119.800 -0.081 0.000 2.738 67 Q HA 0.380 4.721 4.340 0.001 0.000 0.301 67 Q C 0.334 176.251 176.000 -0.139 0.000 0.901 67 Q CA -0.407 55.327 55.803 -0.115 0.000 0.756 67 Q CB 1.332 30.015 28.738 -0.092 0.000 1.463 67 Q HN 0.510 nan 8.270 nan 0.000 0.432 68 V N -2.288 117.536 119.914 -0.150 0.000 2.720 68 V HA -0.217 3.904 4.120 0.001 0.000 0.256 68 V C 1.049 177.062 176.094 -0.136 0.000 1.082 68 V CA 2.325 64.527 62.300 -0.163 0.000 1.101 68 V CB -1.296 30.442 31.823 -0.141 0.000 0.693 68 V HN 0.896 nan 8.190 nan 0.000 0.479 69 D N -0.526 119.815 120.400 -0.098 0.000 2.349 69 D HA 0.044 4.685 4.640 0.001 0.000 0.214 69 D C 0.633 176.900 176.300 -0.055 0.000 1.063 69 D CA 0.203 54.163 54.000 -0.067 0.000 0.847 69 D CB -0.532 40.239 40.800 -0.047 0.000 0.933 69 D HN 0.433 nan 8.370 nan 0.000 0.513 70 T N 2.410 116.921 114.554 -0.071 0.000 2.853 70 T HA 0.211 4.562 4.350 0.001 0.000 0.298 70 T C -2.452 172.242 174.700 -0.009 0.000 0.978 70 T CA -1.035 61.044 62.100 -0.034 0.000 1.152 70 T CB 1.149 69.999 68.868 -0.031 0.000 0.914 70 T HN 0.024 nan 8.240 nan 0.000 0.539 71 P HA 0.352 nan 4.420 nan 0.000 0.276 71 P C -0.856 176.602 177.300 0.264 0.000 1.243 71 P CA -0.431 62.753 63.100 0.139 0.000 0.768 71 P CB 0.187 31.944 31.700 0.095 0.000 0.856 72 C N 3.289 122.794 119.300 0.342 0.000 2.797 72 C HA 0.524 4.984 4.460 0.001 0.000 0.306 72 C C 0.252 175.324 174.990 0.136 0.000 1.207 72 C CA -1.075 58.151 59.018 0.347 0.000 1.507 72 C CB 1.610 29.571 27.740 0.368 0.000 2.028 72 C HN 0.591 nan 8.230 nan 0.000 0.475 73 R N 2.358 122.743 120.500 -0.191 0.000 2.351 73 R HA 0.327 4.668 4.340 0.001 0.000 0.318 73 R C 0.231 176.363 176.300 -0.280 0.000 1.055 73 R CA -0.300 55.358 56.100 -0.738 0.000 0.968 73 R CB 0.238 30.090 30.300 -0.747 0.000 0.974 73 R HN 0.831 nan 8.270 nan 0.000 0.439 74 L N 2.791 123.863 121.223 -0.252 0.000 2.141 74 L HA -0.097 4.244 4.340 0.001 0.000 0.209 74 L C 1.651 178.435 176.870 -0.143 0.000 1.094 74 L CA 1.149 55.891 54.840 -0.164 0.000 0.763 74 L CB -1.012 40.987 42.059 -0.100 0.000 0.908 74 L HN 1.088 nan 8.230 nan 0.000 0.437 75 A N 0.416 123.141 122.820 -0.158 0.000 5.479 75 A HA -0.369 3.952 4.320 0.001 0.000 0.301 75 A C 1.592 179.187 177.584 0.019 0.000 1.961 75 A CA 1.613 53.604 52.037 -0.077 0.000 0.716 75 A CB -1.844 17.111 19.000 -0.076 0.000 1.266 75 A HN 0.336 nan 8.150 nan 0.000 0.372 76 S N 0.420 116.145 115.700 0.042 0.000 2.537 76 S HA 0.201 4.672 4.470 0.001 0.000 0.240 76 S C 1.648 176.418 174.600 0.284 0.000 0.981 76 S CA 1.588 59.888 58.200 0.166 0.000 0.948 76 S CB -0.482 62.795 63.200 0.128 0.000 0.759 76 S HN 1.861 nan 8.310 nan 0.000 0.531 77 A N 1.127 124.059 122.820 0.186 0.000 2.238 77 A HA 0.122 4.443 4.320 0.001 0.000 0.208 77 A C 1.975 179.771 177.584 0.354 0.000 1.177 77 A CA 0.588 52.816 52.037 0.319 0.000 0.804 77 A CB -0.715 18.340 19.000 0.092 0.000 0.823 77 A HN 0.393 nan 8.150 nan 0.000 0.482 78 T N 0.394 115.100 114.554 0.254 0.000 2.962 78 T HA -0.087 4.264 4.350 0.001 0.000 0.270 78 T C 1.820 176.696 174.700 0.294 0.000 1.088 78 T CA 1.222 63.465 62.100 0.238 0.000 1.127 78 T CB -0.114 68.832 68.868 0.130 0.000 0.883 78 T HN 0.522 nan 8.240 nan 0.000 0.493 79 K N 0.939 121.549 120.400 0.349 0.000 2.074 79 K HA -0.108 4.213 4.320 0.001 0.000 0.209 79 K C 2.182 178.939 176.600 0.261 0.000 1.048 79 K CA 0.971 57.446 56.287 0.313 0.000 0.926 79 K CB -0.634 32.082 32.500 0.361 0.000 0.713 79 K HN 0.227 nan 8.250 nan 0.000 0.444 80 L N 2.040 123.443 121.223 0.300 0.000 1.990 80 L HA -0.214 4.126 4.340 0.001 0.000 0.213 80 L C 2.155 179.068 176.870 0.071 0.000 1.072 80 L CA 1.587 56.512 54.840 0.142 0.000 0.755 80 L CB -0.631 41.405 42.059 -0.038 0.000 0.889 80 L HN 0.135 nan 8.230 nan 0.000 0.432 81 L N -1.366 119.912 121.223 0.092 0.000 1.978 81 L HA -0.306 4.034 4.340 0.001 0.000 0.218 81 L C 2.368 179.318 176.870 0.132 0.000 1.075 81 L CA 2.227 57.118 54.840 0.085 0.000 0.767 81 L CB -1.706 40.430 42.059 0.129 0.000 0.890 81 L HN 0.330 nan 8.230 nan 0.000 0.434 82 T N -1.201 113.457 114.554 0.173 0.000 2.720 82 T HA -0.199 4.152 4.350 0.001 0.000 0.268 82 T C 1.889 176.653 174.700 0.108 0.000 1.037 82 T CA 2.001 64.196 62.100 0.159 0.000 1.144 82 T CB -0.454 68.518 68.868 0.173 0.000 0.864 82 T HN 0.353 nan 8.240 nan 0.000 0.444 83 T N 1.927 116.543 114.554 0.103 0.000 2.803 83 T HA 0.018 4.369 4.350 0.001 0.000 0.269 83 T C 1.937 176.673 174.700 0.061 0.000 1.052 83 T CA 0.807 62.953 62.100 0.077 0.000 1.136 83 T CB -0.418 68.502 68.868 0.086 0.000 0.864 83 T HN 0.342 nan 8.240 nan 0.000 0.467 84 I N 0.692 121.298 120.570 0.060 0.000 2.133 84 I HA -0.179 3.992 4.170 0.001 0.000 0.238 84 I C 2.457 178.629 176.117 0.093 0.000 1.074 84 I CA 1.449 62.783 61.300 0.058 0.000 1.342 84 I CB -0.336 37.686 38.000 0.037 0.000 1.053 84 I HN 0.235 nan 8.210 nan 0.000 0.404 85 M N 0.289 119.967 119.600 0.129 0.000 2.267 85 M HA -0.210 4.270 4.480 0.001 0.000 0.263 85 M C 2.366 178.700 176.300 0.057 0.000 1.063 85 M CA 1.858 57.266 55.300 0.180 0.000 1.090 85 M CB -0.500 32.213 32.600 0.187 0.000 1.392 85 M HN 0.344 nan 8.290 nan 0.000 0.422 86 A N 0.443 123.282 122.820 0.031 0.000 1.872 86 A HA -0.056 4.264 4.320 0.001 0.000 0.214 86 A C 2.050 179.648 177.584 0.022 0.000 1.187 86 A CA 1.173 53.212 52.037 0.004 0.000 0.614 86 A CB -0.779 18.227 19.000 0.009 0.000 0.826 86 A HN 0.461 nan 8.150 nan 0.000 0.442 87 L N -0.511 120.737 121.223 0.041 0.000 2.275 87 L HA -0.190 4.151 4.340 0.001 0.000 0.215 87 L C 2.737 179.641 176.870 0.055 0.000 1.119 87 L CA 0.834 55.699 54.840 0.043 0.000 0.790 87 L CB -0.502 41.584 42.059 0.045 0.000 0.919 87 L HN 0.503 nan 8.230 nan 0.000 0.443 88 Q N -0.666 119.184 119.800 0.083 0.000 2.046 88 Q HA -0.190 4.151 4.340 0.001 0.000 0.200 88 Q C 2.497 178.560 176.000 0.104 0.000 0.975 88 Q CA 1.840 57.711 55.803 0.113 0.000 0.836 88 Q CB -0.217 28.643 28.738 0.203 0.000 0.896 88 Q HN 0.590 nan 8.270 nan 0.000 0.428 89 C N 0.559 119.909 119.300 0.083 0.000 2.435 89 C HA -0.075 4.386 4.460 0.001 0.000 0.279 89 C C 2.619 177.625 174.990 0.028 0.000 1.321 89 C CA 0.294 59.339 59.018 0.045 0.000 1.752 89 C CB -0.805 26.925 27.740 -0.016 0.000 1.959 89 C HN 0.552 nan 8.230 nan 0.000 0.500 90 M N 1.264 120.878 119.600 0.024 0.000 2.086 90 M HA -0.139 4.342 4.480 0.001 0.000 0.261 90 M C 2.163 178.475 176.300 0.020 0.000 1.067 90 M CA 1.770 57.079 55.300 0.016 0.000 1.116 90 M CB -0.820 31.788 32.600 0.014 0.000 1.348 90 M HN 0.455 nan 8.290 nan 0.000 0.407 91 E N -0.065 120.153 120.200 0.029 0.000 2.033 91 E HA -0.240 4.111 4.350 0.001 0.000 0.199 91 E C 1.875 178.491 176.600 0.027 0.000 1.011 91 E CA 1.669 58.086 56.400 0.028 0.000 0.815 91 E CB -0.166 29.555 29.700 0.034 0.000 0.755 91 E HN 0.517 nan 8.360 nan 0.000 0.451 92 R N -0.886 119.636 120.500 0.037 0.000 2.341 92 R HA -0.051 4.290 4.340 0.001 0.000 0.213 92 R C 1.385 177.701 176.300 0.027 0.000 1.082 92 R CA 0.579 56.701 56.100 0.036 0.000 1.017 92 R CB 0.059 30.393 30.300 0.056 0.000 0.860 92 R HN 0.398 nan 8.270 nan 0.000 0.473 93 G N 0.150 108.962 108.800 0.020 0.000 2.194 93 G HA2 -0.281 3.679 3.960 0.001 0.000 0.236 93 G HA3 -0.281 3.679 3.960 0.001 0.000 0.236 93 G C 0.749 175.654 174.900 0.010 0.000 0.987 93 G CA 0.047 45.155 45.100 0.013 0.000 0.635 93 G HN 0.252 nan 8.290 nan 0.000 0.520 94 L N 0.249 121.480 121.223 0.013 0.000 2.191 94 L HA 0.246 4.587 4.340 0.001 0.000 0.212 94 L C 1.672 178.540 176.870 -0.003 0.000 1.103 94 L CA 1.658 56.502 54.840 0.007 0.000 0.769 94 L CB -0.380 41.685 42.059 0.010 0.000 0.908 94 L HN 0.649 nan 8.230 nan 0.000 0.438 95 V N -5.405 114.506 119.914 -0.004 0.000 3.112 95 V HA 0.697 4.817 4.120 0.001 0.000 0.310 95 V C -1.824 174.264 176.094 -0.010 0.000 1.364 95 V CA -1.019 61.275 62.300 -0.011 0.000 1.058 95 V CB 2.254 34.067 31.823 -0.017 0.000 1.079 95 V HN -0.091 nan 8.190 nan 0.000 0.463 96 D N -1.438 118.953 120.400 -0.016 0.000 2.927 96 D HA 0.486 5.126 4.640 0.001 0.000 0.219 96 D C 0.630 176.914 176.300 -0.027 0.000 1.248 96 D CA -0.547 53.443 54.000 -0.018 0.000 0.861 96 D CB 1.926 42.716 40.800 -0.018 0.000 1.677 96 D HN 0.604 nan 8.370 nan 0.000 0.511 97 L N 1.463 122.670 121.223 -0.028 0.000 2.081 97 L HA -0.116 4.225 4.340 0.001 0.000 0.212 97 L C 0.680 177.509 176.870 -0.067 0.000 1.080 97 L CA 1.265 56.080 54.840 -0.042 0.000 0.754 97 L CB -0.152 41.884 42.059 -0.038 0.000 0.893 97 L HN 0.494 nan 8.230 nan 0.000 0.433 98 D N -1.188 119.175 120.400 -0.062 0.000 2.369 98 D HA 0.008 4.649 4.640 0.001 0.000 0.211 98 D C 0.704 176.971 176.300 -0.054 0.000 1.077 98 D CA 0.051 54.006 54.000 -0.075 0.000 0.842 98 D CB 0.127 40.888 40.800 -0.066 0.000 0.947 98 D HN 0.344 nan 8.370 nan 0.000 0.509 99 E N 1.160 121.334 120.200 -0.043 0.000 2.414 99 E HA 0.022 4.373 4.350 0.001 0.000 0.263 99 E C -0.420 176.156 176.600 -0.041 0.000 1.000 99 E CA 0.084 56.462 56.400 -0.037 0.000 0.914 99 E CB 0.581 30.262 29.700 -0.032 0.000 0.948 99 E HN -0.171 nan 8.360 nan 0.000 0.444 100 T N 4.504 119.034 114.554 -0.040 0.000 2.784 100 T HA -0.052 4.299 4.350 0.001 0.000 0.291 100 T C 1.342 176.006 174.700 -0.061 0.000 0.942 100 T CA -0.242 61.829 62.100 -0.047 0.000 1.161 100 T CB 1.162 70.001 68.868 -0.049 0.000 0.885 100 T HN 0.533 nan 8.240 nan 0.000 0.534 101 V N 3.878 123.746 119.914 -0.076 0.000 2.311 101 V HA -0.334 3.786 4.120 0.001 0.000 0.259 101 V C 2.204 178.238 176.094 -0.101 0.000 1.086 101 V CA 2.837 65.078 62.300 -0.098 0.000 1.078 101 V CB -0.706 31.024 31.823 -0.155 0.000 0.668 101 V HN 1.070 nan 8.190 nan 0.000 0.452 102 D N -0.518 119.816 120.400 -0.110 0.000 2.280 102 D HA -0.280 4.361 4.640 0.001 0.000 0.206 102 D C 2.080 178.339 176.300 -0.068 0.000 0.988 102 D CA 1.707 55.646 54.000 -0.102 0.000 0.886 102 D CB -0.679 40.062 40.800 -0.098 0.000 0.914 102 D HN 0.594 nan 8.370 nan 0.000 0.473 103 R N 0.095 120.563 120.500 -0.054 0.000 2.082 103 R HA -0.108 4.233 4.340 0.001 0.000 0.234 103 R C 1.762 178.044 176.300 -0.029 0.000 1.136 103 R CA 1.143 57.220 56.100 -0.037 0.000 0.935 103 R CB -0.144 30.137 30.300 -0.032 0.000 0.842 103 R HN 0.191 nan 8.270 nan 0.000 0.430 104 L N 0.423 121.629 121.223 -0.029 0.000 2.249 104 L HA 0.107 4.448 4.340 0.001 0.000 0.207 104 L C 1.025 177.894 176.870 -0.001 0.000 1.090 104 L CA 0.933 55.765 54.840 -0.012 0.000 0.802 104 L CB -0.177 41.877 42.059 -0.009 0.000 0.947 104 L HN 0.244 nan 8.230 nan 0.000 0.453 105 L N 0.538 121.738 121.223 -0.038 0.000 2.732 105 L HA 0.208 4.549 4.340 0.001 0.000 0.246 105 L C -1.588 175.203 176.870 -0.131 0.000 1.407 105 L CA -1.028 53.776 54.840 -0.059 0.000 0.861 105 L CB 0.779 42.755 42.059 -0.139 0.000 1.161 105 L HN -0.080 nan 8.230 nan 0.000 0.510 106 P HA -0.165 nan 4.420 nan 0.000 0.216 106 P C 1.055 178.293 177.300 -0.105 0.000 1.153 106 P CA 1.258 64.306 63.100 -0.085 0.000 0.848 106 P CB 0.135 31.808 31.700 -0.045 0.000 0.787 107 D N -0.270 120.097 120.400 -0.055 0.000 2.182 107 D HA -0.177 4.464 4.640 0.001 0.000 0.201 107 D C 1.846 178.067 176.300 -0.132 0.000 0.986 107 D CA 0.944 54.931 54.000 -0.021 0.000 0.847 107 D CB -1.228 39.646 40.800 0.124 0.000 0.942 107 D HN 0.130 nan 8.370 nan 0.000 0.467 108 L N 0.213 121.183 121.223 -0.422 0.000 2.095 108 L HA 0.072 4.413 4.340 0.001 0.000 0.204 108 L C 2.241 178.834 176.870 -0.461 0.000 1.080 108 L CA 1.416 55.773 54.840 -0.805 0.000 0.759 108 L CB -0.859 40.233 42.059 -1.612 0.000 0.914 108 L HN 0.017 nan 8.230 nan 0.000 0.439 109 S N -0.933 114.562 115.700 -0.342 0.000 2.447 109 S HA -0.021 4.450 4.470 0.001 0.000 0.233 109 S C 2.026 176.513 174.600 -0.189 0.000 1.006 109 S CA 0.877 58.929 58.200 -0.245 0.000 0.957 109 S CB -0.291 62.797 63.200 -0.186 0.000 0.773 109 S HN 0.645 nan 8.310 nan 0.000 0.507 110 A N 1.543 124.261 122.820 -0.169 0.000 1.968 110 A HA 0.212 4.532 4.320 0.001 0.000 0.217 110 A C 1.000 178.505 177.584 -0.133 0.000 1.169 110 A CA 0.536 52.495 52.037 -0.131 0.000 0.638 110 A CB -0.347 18.590 19.000 -0.106 0.000 0.812 110 A HN 0.454 nan 8.150 nan 0.000 0.446 111 M N 1.193 120.705 119.600 -0.146 0.000 2.240 111 M HA 0.096 4.577 4.480 0.001 0.000 0.346 111 M C -2.107 174.107 176.300 -0.143 0.000 1.236 111 M CA -1.572 53.650 55.300 -0.129 0.000 0.986 111 M CB -0.754 31.767 32.600 -0.132 0.000 1.786 111 M HN 0.173 nan 8.290 nan 0.000 0.457 112 P HA 0.345 nan 4.420 nan 0.000 0.279 112 P C -0.863 176.336 177.300 -0.168 0.000 1.276 112 P CA -0.631 62.384 63.100 -0.140 0.000 0.801 112 P CB 1.173 32.799 31.700 -0.124 0.000 1.127 113 V N 1.513 121.325 119.914 -0.169 0.000 2.427 113 V HA 0.301 4.421 4.120 0.001 0.000 0.286 113 V C -0.161 175.812 176.094 -0.203 0.000 1.034 113 V CA -1.135 61.051 62.300 -0.190 0.000 0.893 113 V CB 0.678 32.399 31.823 -0.170 0.000 0.982 113 V HN 0.411 nan 8.190 nan 0.000 0.452 114 L N 5.620 126.692 121.223 -0.253 0.000 2.315 114 L HA 0.375 4.716 4.340 0.001 0.000 0.283 114 L C 1.147 177.894 176.870 -0.205 0.000 1.089 114 L CA 0.174 54.844 54.840 -0.284 0.000 0.833 114 L CB 1.004 42.814 42.059 -0.416 0.000 1.170 114 L HN 0.948 nan 8.230 nan 0.000 0.442 115 E N 3.592 123.683 120.200 -0.181 0.000 2.060 115 E HA 0.186 4.537 4.350 0.001 0.000 0.189 115 E C 0.606 177.155 176.600 -0.086 0.000 0.974 115 E CA 0.750 57.081 56.400 -0.115 0.000 0.808 115 E CB 0.350 29.993 29.700 -0.094 0.000 0.768 115 E HN 0.895 nan 8.360 nan 0.000 0.453 116 G N -1.194 107.515 108.800 -0.152 0.000 2.341 116 G HA2 0.349 4.310 3.960 0.001 0.000 0.299 116 G HA3 0.349 4.310 3.960 0.001 0.000 0.299 116 G C -1.633 173.120 174.900 -0.246 0.000 1.274 116 G CA -0.884 44.164 45.100 -0.087 0.000 0.853 116 G HN 0.065 nan 8.290 nan 0.000 0.493 117 F N 1.088 121.082 119.950 0.075 0.000 2.579 117 F HA 0.542 5.070 4.527 0.001 0.000 0.324 117 F C 0.490 176.325 175.800 0.059 0.000 1.058 117 F CA -0.423 57.628 58.000 0.084 0.000 0.944 117 F CB 2.210 41.268 39.000 0.097 0.000 1.245 117 F HN 0.662 nan 8.300 nan 0.000 0.477 118 D N -0.447 120.099 120.400 0.244 0.000 2.496 118 D HA 0.119 4.760 4.640 0.001 0.000 0.283 118 D C 0.125 176.504 176.300 0.132 0.000 1.214 118 D CA -0.166 53.921 54.000 0.144 0.000 1.089 118 D CB 0.290 41.149 40.800 0.099 0.000 1.141 118 D HN 0.424 nan 8.370 nan 0.000 0.580 119 D N -0.650 119.803 120.400 0.088 0.000 2.201 119 D HA 0.039 4.679 4.640 0.001 0.000 0.209 119 D C 1.814 178.149 176.300 0.059 0.000 0.961 119 D CA 1.154 55.192 54.000 0.065 0.000 0.861 119 D CB -0.478 40.350 40.800 0.046 0.000 0.997 119 D HN 0.508 nan 8.370 nan 0.000 0.486 120 A N 0.551 123.408 122.820 0.062 0.000 2.178 120 A HA 0.164 4.485 4.320 0.001 0.000 0.218 120 A C 1.951 179.582 177.584 0.078 0.000 1.157 120 A CA 1.835 53.908 52.037 0.060 0.000 0.689 120 A CB -0.588 18.447 19.000 0.057 0.000 0.787 120 A HN 0.358 nan 8.150 nan 0.000 0.465 121 G N -1.375 107.492 108.800 0.112 0.000 2.195 121 G HA2 -0.259 3.702 3.960 0.001 0.000 0.246 121 G HA3 -0.259 3.702 3.960 0.001 0.000 0.246 121 G C 0.108 175.180 174.900 0.287 0.000 0.984 121 G CA 0.078 45.265 45.100 0.144 0.000 0.633 121 G HN 0.520 nan 8.290 nan 0.000 0.525 122 N N 1.331 120.175 118.700 0.239 0.000 2.345 122 N HA 0.375 5.116 4.740 0.001 0.000 0.243 122 N C 0.816 176.524 175.510 0.331 0.000 1.246 122 N CA 0.895 54.103 53.050 0.263 0.000 0.863 122 N CB 0.601 39.169 38.487 0.135 0.000 1.096 122 N HN 0.930 nan 8.380 nan 0.000 0.446 123 A N 2.391 125.389 122.820 0.297 0.000 2.515 123 A HA 0.021 4.341 4.320 0.001 0.000 0.263 123 A C 0.792 178.334 177.584 -0.069 0.000 1.096 123 A CA -0.002 52.074 52.037 0.065 0.000 0.769 123 A CB -0.217 18.814 19.000 0.052 0.000 1.040 123 A HN 0.679 nan 8.150 nan 0.000 0.505 124 R N 2.701 123.091 120.500 -0.184 0.000 2.265 124 R HA 0.601 4.942 4.340 0.001 0.000 0.319 124 R C -1.418 174.785 176.300 -0.161 0.000 1.006 124 R CA -0.406 55.619 56.100 -0.125 0.000 0.880 124 R CB 0.446 30.695 30.300 -0.085 0.000 1.077 124 R HN 0.558 nan 8.270 nan 0.000 0.454 125 L N 3.635 124.790 121.223 -0.113 0.000 2.388 125 L HA 0.611 4.951 4.340 0.001 0.000 0.264 125 L C -0.922 175.888 176.870 -0.099 0.000 0.998 125 L CA -0.567 54.202 54.840 -0.118 0.000 0.817 125 L CB 1.935 43.937 42.059 -0.094 0.000 1.338 125 L HN 0.778 nan 8.230 nan 0.000 0.414 126 R N 2.239 122.673 120.500 -0.109 0.000 2.698 126 R HA 0.485 4.826 4.340 0.001 0.000 0.275 126 R C -1.178 175.061 176.300 -0.101 0.000 1.001 126 R CA -0.639 55.404 56.100 -0.095 0.000 0.896 126 R CB 1.823 32.068 30.300 -0.091 0.000 1.218 126 R HN 0.753 nan 8.270 nan 0.000 0.462 127 E N 3.645 123.791 120.200 -0.089 0.000 2.374 127 E HA 0.124 4.474 4.350 0.001 0.000 0.260 127 E C -0.861 175.679 176.600 -0.099 0.000 1.101 127 E CA -0.709 55.635 56.400 -0.094 0.000 0.907 127 E CB 1.106 30.757 29.700 -0.081 0.000 1.014 127 E HN 0.462 nan 8.360 nan 0.000 0.427 128 R N 2.287 122.721 120.500 -0.110 0.000 2.267 128 R HA 0.123 4.464 4.340 0.001 0.000 0.319 128 R C -0.310 175.930 176.300 -0.101 0.000 1.067 128 R CA -0.300 55.729 56.100 -0.119 0.000 0.936 128 R CB 0.507 30.723 30.300 -0.140 0.000 1.006 128 R HN 0.524 nan 8.270 nan 0.000 0.452 129 R N 2.648 123.091 120.500 -0.095 0.000 2.389 129 R HA 0.260 4.601 4.340 0.001 0.000 0.295 129 R C 0.203 176.450 176.300 -0.090 0.000 1.075 129 R CA 0.892 56.944 56.100 -0.080 0.000 1.005 129 R CB 1.168 31.427 30.300 -0.069 0.000 0.987 129 R HN 1.002 nan 8.270 nan 0.000 0.452 130 G N 1.872 110.627 108.800 -0.076 0.000 2.710 130 G HA2 -0.160 3.801 3.960 0.001 0.000 0.668 130 G HA3 -0.160 3.801 3.960 0.001 0.000 0.668 130 G C -1.183 173.667 174.900 -0.084 0.000 1.320 130 G CA -0.825 44.230 45.100 -0.075 0.000 0.860 130 G HN 0.396 nan 8.290 nan 0.000 0.538 131 K N -1.093 119.267 120.400 -0.068 0.000 2.466 131 K HA 0.780 5.100 4.320 0.001 0.000 0.260 131 K C -0.806 175.769 176.600 -0.041 0.000 1.011 131 K CA -0.817 55.429 56.287 -0.069 0.000 0.871 131 K CB 2.361 34.831 32.500 -0.049 0.000 1.404 131 K HN 0.990 nan 8.250 nan 0.000 0.450 132 I N 1.040 121.583 120.570 -0.044 0.000 2.499 132 I HA 0.383 4.553 4.170 0.001 0.000 0.288 132 I C -0.572 175.567 176.117 0.037 0.000 1.048 132 I CA -0.195 61.095 61.300 -0.017 0.000 1.062 132 I CB 1.797 39.700 38.000 -0.162 0.000 1.238 132 I HN 0.716 nan 8.210 nan 0.000 0.426 133 T N 4.472 119.135 114.554 0.182 0.000 2.926 133 T HA 0.299 4.650 4.350 0.001 0.000 0.289 133 T C 0.866 175.552 174.700 -0.023 0.000 1.054 133 T CA -0.861 61.247 62.100 0.014 0.000 1.015 133 T CB 1.662 70.479 68.868 -0.084 0.000 1.167 133 T HN 0.570 nan 8.240 nan 0.000 0.526 134 L N 0.435 121.626 121.223 -0.053 0.000 2.083 134 L HA -0.010 4.331 4.340 0.001 0.000 0.209 134 L C 2.595 179.434 176.870 -0.052 0.000 1.083 134 L CA 1.730 56.542 54.840 -0.046 0.000 0.752 134 L CB -0.791 41.246 42.059 -0.037 0.000 0.899 134 L HN 0.894 nan 8.230 nan 0.000 0.433 135 R N -0.926 119.519 120.500 -0.091 0.000 2.081 135 R HA -0.220 4.121 4.340 0.001 0.000 0.235 135 R C 2.154 178.400 176.300 -0.089 0.000 1.131 135 R CA 1.875 57.913 56.100 -0.103 0.000 0.960 135 R CB -0.364 29.834 30.300 -0.170 0.000 0.856 135 R HN 0.526 nan 8.270 nan 0.000 0.436 136 H N 0.007 119.041 119.070 -0.060 0.000 2.352 136 H HA -0.115 4.442 4.556 0.001 0.000 0.299 136 H C 2.159 177.401 175.328 -0.142 0.000 1.097 136 H CA 1.741 57.734 56.048 -0.090 0.000 1.311 136 H CB 0.040 29.736 29.762 -0.110 0.000 1.377 136 H HN 0.152 nan 8.280 nan 0.000 0.504 137 L N 0.250 121.460 121.223 -0.022 0.000 1.994 137 L HA -0.212 4.129 4.340 0.001 0.000 0.208 137 L C 2.247 178.989 176.870 -0.214 0.000 1.071 137 L CA 1.161 55.924 54.840 -0.129 0.000 0.745 137 L CB -0.535 41.474 42.059 -0.082 0.000 0.892 137 L HN 0.353 nan 8.230 nan 0.000 0.431 138 L N -0.278 120.879 121.223 -0.109 0.000 2.265 138 L HA -0.144 4.197 4.340 0.001 0.000 0.215 138 L C 2.154 179.020 176.870 -0.006 0.000 1.117 138 L CA 1.623 56.425 54.840 -0.064 0.000 0.782 138 L CB -0.824 41.248 42.059 0.022 0.000 0.914 138 L HN 0.488 nan 8.230 nan 0.000 0.441 139 T N -5.741 108.800 114.554 -0.022 0.000 3.134 139 T HA 0.075 4.426 4.350 0.001 0.000 0.260 139 T C 0.623 175.250 174.700 -0.122 0.000 1.027 139 T CA -0.414 61.731 62.100 0.076 0.000 0.913 139 T CB -0.149 68.821 68.868 0.170 0.000 1.046 139 T HN 0.298 nan 8.240 nan 0.000 0.553 140 H N 0.517 119.406 119.070 -0.302 0.000 2.791 140 H HA -0.119 4.437 4.556 0.001 0.000 0.302 140 H C -0.093 174.913 175.328 -0.537 0.000 1.198 140 H CA 1.266 56.978 56.048 -0.561 0.000 1.145 140 H CB -2.254 26.911 29.762 -0.995 0.000 1.385 140 H HN 0.486 nan 8.280 nan 0.000 0.409 141 T N -1.233 113.209 114.554 -0.186 0.000 3.228 141 T HA 0.058 4.409 4.350 0.001 0.000 0.278 141 T C 1.587 176.172 174.700 -0.191 0.000 1.014 141 T CA 0.504 62.541 62.100 -0.106 0.000 0.904 141 T CB 0.256 69.185 68.868 0.102 0.000 1.110 141 T HN 0.512 nan 8.240 nan 0.000 0.541 142 S N 1.007 116.571 115.700 -0.226 0.000 2.507 142 S HA 0.206 4.677 4.470 0.001 0.000 0.235 142 S C 2.090 176.504 174.600 -0.310 0.000 0.988 142 S CA 0.527 58.564 58.200 -0.272 0.000 0.944 142 S CB -0.539 62.517 63.200 -0.240 0.000 0.762 142 S HN 0.757 nan 8.310 nan 0.000 0.526 143 G N 0.475 109.102 108.800 -0.290 0.000 2.148 143 G HA2 -0.217 3.744 3.960 0.001 0.000 0.254 143 G HA3 -0.217 3.744 3.960 0.001 0.000 0.254 143 G C -0.210 174.523 174.900 -0.277 0.000 0.981 143 G CA 0.448 45.385 45.100 -0.272 0.000 0.670 143 G HN 1.133 nan 8.290 nan 0.000 0.528 144 L N -1.320 119.733 121.223 -0.284 0.000 2.319 144 L HA 1.016 5.357 4.340 0.001 0.000 0.267 144 L C -0.120 176.566 176.870 -0.308 0.000 1.011 144 L CA -0.409 54.266 54.840 -0.276 0.000 0.818 144 L CB 2.124 44.044 42.059 -0.232 0.000 1.316 144 L HN 0.492 nan 8.230 nan 0.000 0.432 145 S N 0.203 115.730 115.700 -0.289 0.000 2.704 145 S HA 0.705 5.176 4.470 0.001 0.000 0.296 145 S C -1.261 173.188 174.600 -0.251 0.000 1.138 145 S CA -0.470 57.572 58.200 -0.263 0.000 0.875 145 S CB 0.769 63.858 63.200 -0.185 0.000 1.151 145 S HN 0.527 nan 8.310 nan 0.000 0.500 146 Y N 1.112 121.350 120.300 -0.104 0.000 2.301 146 Y HA 0.300 4.851 4.550 0.001 0.000 0.325 146 Y C 1.587 177.455 175.900 -0.052 0.000 1.203 146 Y CA -0.304 57.737 58.100 -0.097 0.000 1.255 146 Y CB 0.850 39.265 38.460 -0.075 0.000 1.232 146 Y HN 0.407 nan 8.280 nan 0.000 0.501 147 V N 1.703 121.639 119.914 0.036 0.000 2.237 147 V HA -0.305 3.815 4.120 0.001 0.000 0.245 147 V C 1.340 177.465 176.094 0.052 0.000 1.046 147 V CA 1.793 64.037 62.300 -0.093 0.000 1.007 147 V CB -0.575 30.974 31.823 -0.457 0.000 0.638 147 V HN 0.637 nan 8.190 nan 0.000 0.445 148 F N -0.282 119.756 119.950 0.146 0.000 2.725 148 F HA 0.283 4.811 4.527 0.001 0.000 0.303 148 F C 1.489 177.374 175.800 0.141 0.000 1.167 148 F CA 0.072 58.144 58.000 0.120 0.000 1.403 148 F CB -0.793 38.256 39.000 0.082 0.000 1.077 148 F HN 0.079 nan 8.300 nan 0.000 0.537 149 L N -1.945 119.481 121.223 0.337 0.000 2.575 149 L HA 0.168 4.509 4.340 0.001 0.000 0.228 149 L C 0.120 177.166 176.870 0.295 0.000 1.075 149 L CA 0.109 55.136 54.840 0.312 0.000 0.867 149 L CB 0.030 42.294 42.059 0.340 0.000 1.097 149 L HN -0.029 nan 8.230 nan 0.000 0.485 150 H N 0.591 119.764 119.070 0.172 0.000 2.469 150 H HA 0.260 4.817 4.556 0.001 0.000 0.342 150 H C -1.966 173.451 175.328 0.147 0.000 1.115 150 H CA -1.821 54.305 56.048 0.129 0.000 1.204 150 H CB 2.077 31.883 29.762 0.074 0.000 1.492 150 H HN -0.259 nan 8.280 nan 0.000 0.499 151 P HA -0.115 nan 4.420 nan 0.000 0.219 151 P C 1.184 178.527 177.300 0.073 0.000 1.150 151 P CA 1.013 64.067 63.100 -0.078 0.000 0.814 151 P CB 0.434 32.038 31.700 -0.160 0.000 0.787 152 L N -1.339 119.981 121.223 0.161 0.000 1.988 152 L HA -0.125 4.216 4.340 0.001 0.000 0.207 152 L C 2.505 179.657 176.870 0.469 0.000 1.071 152 L CA 1.325 56.417 54.840 0.421 0.000 0.744 152 L CB -1.191 41.117 42.059 0.414 0.000 0.893 152 L HN -0.092 nan 8.230 nan 0.000 0.433 153 L N -0.662 120.780 121.223 0.365 0.000 2.079 153 L HA -0.220 4.121 4.340 0.001 0.000 0.210 153 L C 2.981 180.052 176.870 0.334 0.000 1.081 153 L CA 0.847 55.871 54.840 0.308 0.000 0.752 153 L CB -0.638 41.535 42.059 0.189 0.000 0.896 153 L HN 0.294 nan 8.230 nan 0.000 0.433 154 R N 0.242 120.919 120.500 0.295 0.000 2.133 154 R HA -0.258 4.083 4.340 0.001 0.000 0.245 154 R C 2.083 178.502 176.300 0.198 0.000 1.137 154 R CA 1.908 58.171 56.100 0.271 0.000 0.947 154 R CB -0.755 29.654 30.300 0.180 0.000 0.865 154 R HN 0.494 nan 8.270 nan 0.000 0.437 155 E N -0.847 119.433 120.200 0.134 0.000 2.112 155 E HA -0.152 4.199 4.350 0.001 0.000 0.190 155 E C 1.851 178.486 176.600 0.058 0.000 0.979 155 E CA 0.308 56.663 56.400 -0.076 0.000 0.814 155 E CB -0.143 29.256 29.700 -0.502 0.000 0.762 155 E HN 0.257 nan 8.360 nan 0.000 0.460 156 Y N 0.719 121.238 120.300 0.365 0.000 2.102 156 Y HA -0.329 4.222 4.550 0.001 0.000 0.280 156 Y C 2.287 178.275 175.900 0.146 0.000 1.178 156 Y CA 2.006 60.377 58.100 0.450 0.000 1.146 156 Y CB -0.133 38.574 38.460 0.412 0.000 0.968 156 Y HN 0.136 nan 8.280 nan 0.000 0.504 157 M N -0.482 119.271 119.600 0.256 0.000 2.086 157 M HA -0.183 4.297 4.480 0.001 0.000 0.261 157 M C 2.361 178.687 176.300 0.042 0.000 1.067 157 M CA 1.931 57.319 55.300 0.147 0.000 1.116 157 M CB -1.108 31.641 32.600 0.249 0.000 1.348 157 M HN 0.393 nan 8.290 nan 0.000 0.407 158 A N 0.380 123.216 122.820 0.026 0.000 1.917 158 A HA -0.231 4.090 4.320 0.001 0.000 0.219 158 A C 1.864 179.367 177.584 -0.135 0.000 1.182 158 A CA 1.664 53.671 52.037 -0.050 0.000 0.633 158 A CB -0.699 18.254 19.000 -0.080 0.000 0.819 158 A HN 0.637 nan 8.150 nan 0.000 0.448 159 Q N -1.621 118.030 119.800 -0.247 0.000 2.119 159 Q HA 0.083 4.424 4.340 0.001 0.000 0.201 159 Q C 1.347 177.099 176.000 -0.413 0.000 0.972 159 Q CA 1.162 56.721 55.803 -0.405 0.000 0.847 159 Q CB -0.659 27.613 28.738 -0.777 0.000 0.903 159 Q HN 1.288 nan 8.270 nan 0.000 0.433 160 G N 0.816 109.389 108.800 -0.378 0.000 2.215 160 G HA2 -0.184 3.777 3.960 0.001 0.000 0.198 160 G HA3 -0.184 3.777 3.960 0.001 0.000 0.198 160 G C 0.133 174.926 174.900 -0.179 0.000 1.047 160 G CA 0.120 45.100 45.100 -0.201 0.000 0.747 160 G HN 0.321 nan 8.290 nan 0.000 0.495 161 H N -0.354 118.552 119.070 -0.274 0.000 2.548 161 H HA 0.224 4.781 4.556 0.001 0.000 0.268 161 H C 2.555 177.790 175.328 -0.155 0.000 0.975 161 H CA 0.789 56.609 56.048 -0.380 0.000 1.195 161 H CB 0.166 29.292 29.762 -1.059 0.000 1.397 161 H HN 0.523 nan 8.280 nan 0.000 0.572 162 L N 0.081 121.329 121.223 0.040 0.000 2.492 162 L HA -0.040 4.300 4.340 0.001 0.000 0.223 162 L C 2.045 178.969 176.870 0.090 0.000 1.132 162 L CA 0.324 55.236 54.840 0.121 0.000 0.850 162 L CB -0.111 42.019 42.059 0.118 0.000 0.966 162 L HN 0.167 nan 8.230 nan 0.000 0.454 163 Q N -0.079 119.759 119.800 0.063 0.000 2.135 163 Q HA -0.167 4.173 4.340 0.001 0.000 0.204 163 Q C 2.248 178.288 176.000 0.066 0.000 0.981 163 Q CA 1.761 57.595 55.803 0.052 0.000 0.856 163 Q CB -0.170 28.589 28.738 0.034 0.000 0.902 163 Q HN 0.380 nan 8.270 nan 0.000 0.425 164 S N 0.700 116.459 115.700 0.098 0.000 2.507 164 S HA -0.054 4.417 4.470 0.001 0.000 0.235 164 S C 1.960 176.663 174.600 0.172 0.000 0.988 164 S CA 0.566 58.838 58.200 0.120 0.000 0.944 164 S CB -0.164 63.146 63.200 0.184 0.000 0.762 164 S HN 0.471 nan 8.310 nan 0.000 0.526 165 A N 2.108 125.039 122.820 0.185 0.000 1.948 165 A HA -0.241 4.080 4.320 0.001 0.000 0.220 165 A C 1.945 179.615 177.584 0.144 0.000 1.177 165 A CA 1.725 53.891 52.037 0.216 0.000 0.636 165 A CB -0.614 18.471 19.000 0.142 0.000 0.815 165 A HN 0.581 nan 8.150 nan 0.000 0.449 166 E N -0.054 120.182 120.200 0.060 0.000 2.114 166 E HA -0.268 4.083 4.350 0.001 0.000 0.199 166 E C 1.966 178.528 176.600 -0.064 0.000 1.008 166 E CA 1.775 58.180 56.400 0.008 0.000 0.810 166 E CB -0.245 29.452 29.700 -0.005 0.000 0.739 166 E HN 0.672 nan 8.360 nan 0.000 0.456 167 K N -0.100 120.183 120.400 -0.194 0.000 2.147 167 K HA -0.113 4.208 4.320 0.001 0.000 0.205 167 K C 1.143 177.408 176.600 -0.559 0.000 1.049 167 K CA 1.050 57.057 56.287 -0.465 0.000 0.936 167 K CB -0.028 31.986 32.500 -0.809 0.000 0.722 167 K HN 0.139 nan 8.250 nan 0.000 0.446 168 F N -0.191 119.774 119.950 0.026 0.000 2.639 168 F HA 0.292 4.820 4.527 0.001 0.000 0.302 168 F C 1.109 176.927 175.800 0.030 0.000 1.097 168 F CA -0.276 57.741 58.000 0.028 0.000 1.294 168 F CB 0.471 39.489 39.000 0.031 0.000 1.027 168 F HN 0.057 nan 8.300 nan 0.000 0.550 169 G N 1.635 110.506 108.800 0.119 0.000 2.283 169 G HA2 -0.318 3.643 3.960 0.001 0.000 0.280 169 G HA3 -0.318 3.643 3.960 0.001 0.000 0.280 169 G C 0.203 175.169 174.900 0.111 0.000 1.029 169 G CA -0.040 45.114 45.100 0.091 0.000 0.840 169 G HN 0.395 nan 8.290 nan 0.000 0.505 170 I N 0.728 121.383 120.570 0.141 0.000 2.371 170 I HA 0.153 4.324 4.170 0.001 0.000 0.290 170 I C 0.808 176.971 176.117 0.077 0.000 1.028 170 I CA -0.769 60.601 61.300 0.117 0.000 1.345 170 I CB 0.939 39.026 38.000 0.144 0.000 1.407 170 I HN 0.118 nan 8.210 nan 0.000 0.501 171 Q N 3.913 123.745 119.800 0.052 0.000 2.315 171 Q HA -0.035 4.305 4.340 0.001 0.000 0.289 171 Q C 1.379 177.357 176.000 -0.036 0.000 1.044 171 Q CA 0.183 56.019 55.803 0.055 0.000 0.920 171 Q CB 0.878 29.696 28.738 0.134 0.000 1.214 171 Q HN 0.836 nan 8.270 nan 0.000 0.392 172 S N 3.324 119.015 115.700 -0.014 0.000 2.372 172 S HA -0.276 4.195 4.470 0.001 0.000 0.227 172 S C 1.660 176.175 174.600 -0.141 0.000 1.044 172 S CA 1.879 60.052 58.200 -0.044 0.000 1.050 172 S CB 0.023 63.215 63.200 -0.013 0.000 0.901 172 S HN 0.675 nan 8.310 nan 0.000 0.447 173 R N -0.591 119.730 120.500 -0.298 0.000 2.148 173 R HA 0.097 4.437 4.340 0.001 0.000 0.223 173 R C 1.608 177.656 176.300 -0.420 0.000 1.088 173 R CA 0.991 56.850 56.100 -0.402 0.000 0.985 173 R CB -0.184 29.716 30.300 -0.666 0.000 0.880 173 R HN 0.397 nan 8.270 nan 0.000 0.451 174 L N -0.357 120.592 121.223 -0.456 0.000 2.509 174 L HA 0.165 4.506 4.340 0.001 0.000 0.222 174 L C 2.002 178.830 176.870 -0.071 0.000 1.123 174 L CA 0.836 55.423 54.840 -0.421 0.000 0.856 174 L CB -0.108 41.551 42.059 -0.666 0.000 0.985 174 L HN 0.122 nan 8.230 nan 0.000 0.456 175 A N 0.131 122.919 122.820 -0.054 0.000 1.902 175 A HA 0.010 4.331 4.320 0.001 0.000 0.217 175 A C -1.120 176.503 177.584 0.065 0.000 1.181 175 A CA 0.642 52.703 52.037 0.041 0.000 0.623 175 A CB -1.833 17.197 19.000 0.051 0.000 0.818 175 A HN 0.260 nan 8.150 nan 0.000 0.443 176 P HA 0.281 nan 4.420 nan 0.000 0.269 176 P C -2.719 174.550 177.300 -0.051 0.000 1.209 176 P CA -0.979 62.129 63.100 0.013 0.000 0.776 176 P CB -0.037 31.646 31.700 -0.029 0.000 0.876 177 P HA 0.206 nan 4.420 nan 0.000 0.276 177 P C -0.301 176.864 177.300 -0.226 0.000 1.244 177 P CA -0.318 62.649 63.100 -0.222 0.000 0.801 177 P CB 0.369 31.829 31.700 -0.400 0.000 1.006 178 A N 1.099 123.789 122.820 -0.216 0.000 2.406 178 A HA 0.292 4.613 4.320 0.001 0.000 0.243 178 A C 0.941 178.372 177.584 -0.255 0.000 1.082 178 A CA 0.201 52.099 52.037 -0.231 0.000 0.786 178 A CB -0.332 18.532 19.000 -0.226 0.000 1.029 178 A HN 0.505 nan 8.150 nan 0.000 0.495 179 V N -1.552 118.192 119.914 -0.282 0.000 3.380 179 V HA 0.398 4.519 4.120 0.001 0.000 0.307 179 V C 0.105 176.041 176.094 -0.264 0.000 1.434 179 V CA 0.353 62.468 62.300 -0.309 0.000 1.075 179 V CB -1.099 30.403 31.823 -0.535 0.000 0.954 179 V HN 0.820 nan 8.190 nan 0.000 0.444 180 N N -0.303 118.258 118.700 -0.232 0.000 3.261 180 N HA 0.247 4.988 4.740 0.001 0.000 0.248 180 N C -1.980 173.417 175.510 -0.188 0.000 1.498 180 N CA -0.302 52.637 53.050 -0.186 0.000 0.884 180 N CB 1.957 40.336 38.487 -0.180 0.000 1.428 180 N HN 0.182 nan 8.380 nan 0.000 0.517 181 D N 0.775 121.075 120.400 -0.165 0.000 2.283 181 D HA 0.378 5.019 4.640 0.001 0.000 0.248 181 D C -2.184 173.976 176.300 -0.233 0.000 1.072 181 D CA -0.806 53.086 54.000 -0.180 0.000 0.929 181 D CB 0.424 41.141 40.800 -0.139 0.000 1.182 181 D HN 0.242 nan 8.370 nan 0.000 0.433 182 P HA 0.105 nan 4.420 nan 0.000 0.266 182 P C 0.852 177.885 177.300 -0.445 0.000 1.195 182 P CA 0.450 63.239 63.100 -0.519 0.000 0.768 182 P CB 0.518 31.812 31.700 -0.677 0.000 0.838 183 G N 1.561 110.110 108.800 -0.418 0.000 2.184 183 G HA2 -0.311 3.650 3.960 0.001 0.000 0.264 183 G HA3 -0.311 3.650 3.960 0.001 0.000 0.264 183 G C 1.000 175.875 174.900 -0.043 0.000 0.975 183 G CA 0.509 45.560 45.100 -0.082 0.000 0.642 183 G HN 0.693 nan 8.290 nan 0.000 0.536 184 A N -0.394 122.371 122.820 -0.091 0.000 1.859 184 A HA 0.554 4.874 4.320 0.001 0.000 0.212 184 A C 1.049 178.619 177.584 -0.024 0.000 1.238 184 A CA 1.703 53.706 52.037 -0.057 0.000 0.613 184 A CB 0.099 19.047 19.000 -0.086 0.000 0.904 184 A HN 0.573 nan 8.150 nan 0.000 0.457 185 E N -2.822 117.352 120.200 -0.043 0.000 2.320 185 E HA 0.353 4.704 4.350 0.001 0.000 0.264 185 E C -1.683 174.934 176.600 0.028 0.000 0.923 185 E CA -0.904 55.497 56.400 0.001 0.000 0.796 185 E CB 1.498 31.174 29.700 -0.039 0.000 1.262 185 E HN 0.447 nan 8.360 nan 0.000 0.428 186 W N 2.767 124.020 121.300 -0.078 0.000 2.322 186 W HA 0.445 5.106 4.660 0.001 0.000 0.307 186 W C -1.046 175.401 176.519 -0.121 0.000 1.220 186 W CA -0.056 57.230 57.345 -0.099 0.000 1.210 186 W CB 0.373 29.777 29.460 -0.094 0.000 1.223 186 W HN 0.326 nan 8.180 nan 0.000 0.511 187 I N 8.037 128.158 120.570 -0.748 0.000 2.563 187 I HA 0.014 4.184 4.170 0.001 0.000 0.285 187 I C -1.065 174.537 176.117 -0.858 0.000 1.123 187 I CA -1.229 59.697 61.300 -0.624 0.000 1.059 187 I CB 1.107 38.886 38.000 -0.368 0.000 1.229 187 I HN 0.225 nan 8.210 nan 0.000 0.442 188 Y N 5.780 125.468 120.300 -1.019 0.000 2.745 188 Y HA 0.436 4.986 4.550 0.001 0.000 0.335 188 Y C 0.550 176.332 175.900 -0.196 0.000 1.212 188 Y CA 0.438 58.137 58.100 -0.667 0.000 1.535 188 Y CB 0.304 38.692 38.460 -0.120 0.000 1.220 188 Y HN 0.624 nan 8.280 nan 0.000 0.531 189 G N 2.864 111.333 108.800 -0.551 0.000 2.687 189 G HA2 0.494 4.455 3.960 0.001 0.000 0.291 189 G HA3 0.494 4.455 3.960 0.001 0.000 0.291 189 G C -0.423 173.668 174.900 -1.348 0.000 1.420 189 G CA -0.449 44.083 45.100 -0.948 0.000 0.796 189 G HN 0.761 nan 8.290 nan 0.000 0.485 190 A N -0.276 121.736 122.820 -1.346 0.000 2.263 190 A HA 0.053 4.373 4.320 0.001 0.000 0.205 190 A C 1.522 178.899 177.584 -0.345 0.000 1.226 190 A CA 0.961 52.499 52.037 -0.832 0.000 0.810 190 A CB -1.038 17.642 19.000 -0.534 0.000 0.784 190 A HN 0.701 nan 8.150 nan 0.000 0.486 191 N N -0.501 118.016 118.700 -0.304 0.000 2.567 191 N HA -0.021 4.719 4.740 0.001 0.000 0.195 191 N C 0.726 176.169 175.510 -0.112 0.000 1.242 191 N CA -0.045 52.930 53.050 -0.125 0.000 0.884 191 N CB 0.095 38.451 38.487 -0.219 0.000 1.007 191 N HN 0.306 nan 8.380 nan 0.000 0.450 192 L N 0.621 121.780 121.223 -0.106 0.000 2.638 192 L HA 0.161 4.502 4.340 0.001 0.000 0.232 192 L C 0.454 177.346 176.870 0.037 0.000 1.099 192 L CA 0.866 55.695 54.840 -0.020 0.000 0.883 192 L CB 0.082 42.163 42.059 0.037 0.000 1.136 192 L HN -0.002 nan 8.230 nan 0.000 0.492 193 D N -1.695 118.687 120.400 -0.029 0.000 2.213 193 D HA -0.159 4.481 4.640 0.001 0.000 0.205 193 D C 1.816 178.077 176.300 -0.066 0.000 0.961 193 D CA 0.937 54.904 54.000 -0.054 0.000 0.853 193 D CB -0.001 40.625 40.800 -0.291 0.000 0.967 193 D HN 0.201 nan 8.370 nan 0.000 0.496 194 W N 1.833 123.101 121.300 -0.055 0.000 2.358 194 W HA -0.071 4.590 4.660 0.001 0.000 0.303 194 W C 2.606 179.100 176.519 -0.042 0.000 1.208 194 W CA 0.964 58.276 57.345 -0.054 0.000 1.274 194 W CB -0.292 29.108 29.460 -0.100 0.000 1.138 194 W HN -0.067 nan 8.180 nan 0.000 0.515 195 A N 0.825 123.748 122.820 0.173 0.000 1.892 195 A HA -0.195 4.126 4.320 0.001 0.000 0.218 195 A C 2.195 179.815 177.584 0.061 0.000 1.188 195 A CA 2.338 54.425 52.037 0.082 0.000 0.631 195 A CB -1.642 17.384 19.000 0.044 0.000 0.822 195 A HN 0.354 nan 8.150 nan 0.000 0.447 196 G N -0.344 108.499 108.800 0.071 0.000 2.476 196 G HA2 -0.275 3.686 3.960 0.001 0.000 0.218 196 G HA3 -0.275 3.686 3.960 0.001 0.000 0.218 196 G C 1.663 176.568 174.900 0.008 0.000 1.164 196 G CA 1.267 46.392 45.100 0.042 0.000 0.768 196 G HN 0.421 nan 8.290 nan 0.000 0.560 197 K N 0.209 120.641 120.400 0.054 0.000 2.009 197 K HA -0.013 4.308 4.320 0.001 0.000 0.210 197 K C 2.485 179.113 176.600 0.046 0.000 1.049 197 K CA 0.923 57.245 56.287 0.058 0.000 0.929 197 K CB -1.131 31.451 32.500 0.137 0.000 0.714 197 K HN 0.377 nan 8.250 nan 0.000 0.440 198 L N 1.161 122.430 121.223 0.077 0.000 2.034 198 L HA -0.271 4.069 4.340 0.001 0.000 0.217 198 L C 2.225 179.073 176.870 -0.037 0.000 1.077 198 L CA 1.423 56.281 54.840 0.031 0.000 0.769 198 L CB -0.264 41.812 42.059 0.029 0.000 0.890 198 L HN -0.084 nan 8.230 nan 0.000 0.435 199 V N -0.204 119.659 119.914 -0.086 0.000 2.295 199 V HA -0.298 3.822 4.120 0.001 0.000 0.246 199 V C 2.401 178.378 176.094 -0.196 0.000 1.049 199 V CA 2.211 64.389 62.300 -0.203 0.000 1.024 199 V CB -0.643 30.986 31.823 -0.324 0.000 0.648 199 V HN 0.513 nan 8.190 nan 0.000 0.447 200 E N -0.157 119.960 120.200 -0.138 0.000 2.130 200 E HA -0.233 4.117 4.350 0.001 0.000 0.196 200 E C 2.440 179.005 176.600 -0.059 0.000 0.998 200 E CA 1.197 57.537 56.400 -0.099 0.000 0.806 200 E CB -0.140 29.511 29.700 -0.082 0.000 0.738 200 E HN 0.550 nan 8.360 nan 0.000 0.459 201 R N -0.090 120.386 120.500 -0.040 0.000 2.112 201 R HA 0.109 4.450 4.340 0.001 0.000 0.216 201 R C 2.255 178.543 176.300 -0.020 0.000 1.080 201 R CA 0.856 56.947 56.100 -0.016 0.000 0.996 201 R CB -0.181 30.123 30.300 0.007 0.000 0.902 201 R HN 0.066 nan 8.270 nan 0.000 0.449 202 A N 1.311 124.109 122.820 -0.036 0.000 2.015 202 A HA -0.102 4.219 4.320 0.001 0.000 0.219 202 A C 1.949 179.520 177.584 -0.022 0.000 1.163 202 A CA 1.791 53.809 52.037 -0.031 0.000 0.646 202 A CB -0.340 18.634 19.000 -0.044 0.000 0.806 202 A HN 0.434 nan 8.150 nan 0.000 0.448 203 T N -5.060 109.473 114.554 -0.036 0.000 3.085 203 T HA 0.417 4.767 4.350 0.001 0.000 0.264 203 T C 1.215 175.933 174.700 0.029 0.000 1.019 203 T CA 0.943 63.051 62.100 0.014 0.000 0.910 203 T CB -0.065 68.818 68.868 0.026 0.000 1.059 203 T HN 1.502 nan 8.240 nan 0.000 0.542 204 G N 1.726 110.530 108.800 0.006 0.000 2.380 204 G HA2 -0.231 3.730 3.960 0.001 0.000 0.298 204 G HA3 -0.231 3.730 3.960 0.001 0.000 0.298 204 G C -0.116 174.795 174.900 0.017 0.000 0.989 204 G CA 0.768 45.874 45.100 0.009 0.000 0.836 204 G HN 0.665 nan 8.290 nan 0.000 0.511 205 L N 0.412 121.648 121.223 0.021 0.000 2.381 205 L HA 0.395 4.735 4.340 0.001 0.000 0.268 205 L C 0.101 176.969 176.870 -0.002 0.000 0.997 205 L CA -1.310 53.554 54.840 0.040 0.000 0.818 205 L CB 1.668 43.805 42.059 0.130 0.000 1.310 205 L HN 0.306 nan 8.230 nan 0.000 0.416 206 D N 2.421 122.808 120.400 -0.020 0.000 2.362 206 D HA 0.065 4.706 4.640 0.001 0.000 0.242 206 D C 0.726 176.991 176.300 -0.058 0.000 1.132 206 D CA -0.475 53.480 54.000 -0.076 0.000 0.907 206 D CB 1.357 42.097 40.800 -0.099 0.000 1.195 206 D HN 0.340 nan 8.370 nan 0.000 0.429 207 L N -1.286 119.847 121.223 -0.150 0.000 2.610 207 L HA 0.178 4.519 4.340 0.001 0.000 0.232 207 L C 1.768 178.603 176.870 -0.058 0.000 1.149 207 L CA 0.658 55.444 54.840 -0.090 0.000 0.872 207 L CB -1.559 40.407 42.059 -0.154 0.000 0.992 207 L HN 0.410 nan 8.230 nan 0.000 0.447 208 E N 0.936 121.065 120.200 -0.119 0.000 2.028 208 E HA -0.239 4.111 4.350 0.001 0.000 0.190 208 E C 2.209 178.873 176.600 0.106 0.000 0.984 208 E CA 1.614 58.048 56.400 0.057 0.000 0.800 208 E CB -0.253 29.470 29.700 0.038 0.000 0.758 208 E HN 0.672 nan 8.360 nan 0.000 0.448 209 Q N -1.151 118.689 119.800 0.067 0.000 2.030 209 Q HA -0.226 4.114 4.340 0.001 0.000 0.204 209 Q C 2.121 178.176 176.000 0.093 0.000 0.986 209 Q CA 1.792 57.636 55.803 0.069 0.000 0.843 209 Q CB -0.430 28.339 28.738 0.052 0.000 0.904 209 Q HN 0.478 nan 8.270 nan 0.000 0.420 210 Y N 0.485 120.793 120.300 0.015 0.000 2.256 210 Y HA -0.266 4.285 4.550 0.001 0.000 0.288 210 Y C 1.921 177.853 175.900 0.054 0.000 1.155 210 Y CA 1.398 59.513 58.100 0.026 0.000 1.203 210 Y CB -0.087 38.382 38.460 0.016 0.000 0.980 210 Y HN 0.280 nan 8.280 nan 0.000 0.530 211 L N 0.179 121.538 121.223 0.227 0.000 2.027 211 L HA -0.215 4.126 4.340 0.001 0.000 0.206 211 L C 2.147 179.062 176.870 0.076 0.000 1.074 211 L CA 1.793 56.755 54.840 0.203 0.000 0.745 211 L CB -0.835 41.416 42.059 0.321 0.000 0.898 211 L HN 0.194 nan 8.230 nan 0.000 0.433 212 Q N -0.201 119.637 119.800 0.064 0.000 2.119 212 Q HA -0.207 4.133 4.340 0.001 0.000 0.201 212 Q C 2.200 178.179 176.000 -0.035 0.000 0.972 212 Q CA 1.803 57.622 55.803 0.026 0.000 0.847 212 Q CB -0.306 28.454 28.738 0.036 0.000 0.903 212 Q HN 0.671 nan 8.270 nan 0.000 0.433 213 E N 0.413 120.560 120.200 -0.089 0.000 2.072 213 E HA -0.044 4.307 4.350 0.001 0.000 0.190 213 E C 1.319 177.796 176.600 -0.206 0.000 0.982 213 E CA 0.595 56.908 56.400 -0.145 0.000 0.803 213 E CB 0.165 29.756 29.700 -0.181 0.000 0.755 213 E HN 0.372 nan 8.360 nan 0.000 0.453 214 N N -0.753 117.756 118.700 -0.319 0.000 2.205 214 N HA 0.171 4.911 4.740 0.001 0.000 0.201 214 N C 1.087 176.515 175.510 -0.138 0.000 1.128 214 N CA 0.276 53.132 53.050 -0.323 0.000 0.867 214 N CB 1.262 39.325 38.487 -0.707 0.000 0.996 214 N HN 0.136 nan 8.380 nan 0.000 0.503 215 I N -1.038 119.485 120.570 -0.078 0.000 4.079 215 I HA -0.001 4.170 4.170 0.001 0.000 0.276 215 I C 1.503 177.610 176.117 -0.017 0.000 1.146 215 I CA 0.164 61.450 61.300 -0.024 0.000 1.324 215 I CB 0.293 38.305 38.000 0.020 0.000 1.638 215 I HN 0.009 nan 8.210 nan 0.000 0.436 216 C N 1.358 120.656 119.300 -0.004 0.000 2.489 216 C HA -0.008 4.453 4.460 0.001 0.000 0.279 216 C C 3.040 178.026 174.990 -0.007 0.000 1.266 216 C CA 1.136 60.157 59.018 0.005 0.000 1.707 216 C CB -1.101 26.653 27.740 0.024 0.000 2.059 216 C HN 0.592 nan 8.230 nan 0.000 0.481 217 A N 2.093 124.903 122.820 -0.017 0.000 1.859 217 A HA -0.173 4.147 4.320 0.001 0.000 0.217 217 A C 0.261 177.832 177.584 -0.022 0.000 1.198 217 A CA 2.391 54.415 52.037 -0.021 0.000 0.629 217 A CB -2.096 16.885 19.000 -0.033 0.000 0.830 217 A HN 0.464 nan 8.150 nan 0.000 0.446 218 P HA -0.115 nan 4.420 nan 0.000 0.217 218 P C 0.890 178.179 177.300 -0.018 0.000 1.148 218 P CA 1.016 64.100 63.100 -0.026 0.000 0.828 218 P CB -0.069 31.611 31.700 -0.033 0.000 0.783 219 L N -2.853 118.361 121.223 -0.014 0.000 2.769 219 L HA 0.355 4.696 4.340 0.001 0.000 0.240 219 L C 0.811 177.680 176.870 -0.001 0.000 1.163 219 L CA -0.026 54.810 54.840 -0.006 0.000 0.962 219 L CB -0.653 41.402 42.059 -0.007 0.000 1.258 219 L HN 0.029 nan 8.230 nan 0.000 0.513 220 G N 2.040 110.838 108.800 -0.004 0.000 2.370 220 G HA2 -0.277 3.684 3.960 0.001 0.000 0.293 220 G HA3 -0.277 3.684 3.960 0.001 0.000 0.293 220 G C -0.222 174.680 174.900 0.003 0.000 0.992 220 G CA 0.107 45.207 45.100 -0.001 0.000 1.247 220 G HN 0.320 nan 8.290 nan 0.000 0.505 221 I N 0.011 120.585 120.570 0.006 0.000 2.460 221 I HA 0.528 4.699 4.170 0.001 0.000 0.298 221 I C 1.260 177.388 176.117 0.017 0.000 0.989 221 I CA -0.271 61.037 61.300 0.013 0.000 1.173 221 I CB 2.024 40.036 38.000 0.019 0.000 1.338 221 I HN 0.239 nan 8.210 nan 0.000 0.456 222 T N -1.797 112.768 114.554 0.018 0.000 3.058 222 T HA 0.113 4.464 4.350 0.001 0.000 0.278 222 T C 0.268 174.985 174.700 0.029 0.000 0.974 222 T CA -0.285 61.828 62.100 0.021 0.000 0.893 222 T CB -0.210 68.666 68.868 0.013 0.000 1.138 222 T HN 0.654 nan 8.240 nan 0.000 0.529 223 D N 0.506 120.926 120.400 0.034 0.000 2.424 223 D HA 0.375 5.016 4.640 0.001 0.000 0.220 223 D C 0.156 176.500 176.300 0.074 0.000 1.150 223 D CA -0.484 53.543 54.000 0.045 0.000 0.831 223 D CB -0.025 40.794 40.800 0.030 0.000 0.981 223 D HN 0.268 nan 8.370 nan 0.000 0.500 224 M N 1.079 120.724 119.600 0.075 0.000 2.113 224 M HA 0.468 4.949 4.480 0.001 0.000 0.352 224 M C -0.903 175.457 176.300 0.101 0.000 1.170 224 M CA 0.308 55.663 55.300 0.092 0.000 1.053 224 M CB 1.537 34.186 32.600 0.083 0.000 1.601 224 M HN -0.027 nan 8.290 nan 0.000 0.459 225 T N 3.140 117.760 114.554 0.110 0.000 2.977 225 T HA 0.381 4.732 4.350 0.001 0.000 0.345 225 T C -0.214 174.568 174.700 0.137 0.000 1.562 225 T CA -0.533 61.656 62.100 0.148 0.000 1.090 225 T CB 0.530 69.482 68.868 0.140 0.000 1.383 225 T HN 0.530 nan 8.240 nan 0.000 0.484 226 F N 1.852 121.889 119.950 0.145 0.000 2.219 226 F HA 0.350 4.877 4.527 0.001 0.000 0.294 226 F C 1.755 177.640 175.800 0.142 0.000 1.086 226 F CA 0.498 58.589 58.000 0.152 0.000 1.330 226 F CB 0.380 39.440 39.000 0.099 0.000 1.047 226 F HN 0.237 nan 8.300 nan 0.000 0.495 227 K N 2.244 122.819 120.400 0.292 0.000 2.222 227 K HA 0.126 4.447 4.320 0.001 0.000 0.243 227 K C 1.024 177.681 176.600 0.095 0.000 1.160 227 K CA 0.008 56.393 56.287 0.164 0.000 1.090 227 K CB 0.840 33.407 32.500 0.113 0.000 1.694 227 K HN 0.221 nan 8.250 nan 0.000 0.361 228 L N 2.386 123.644 121.223 0.058 0.000 2.131 228 L HA -0.181 4.160 4.340 0.001 0.000 0.206 228 L C 1.929 178.754 176.870 -0.074 0.000 1.087 228 L CA 1.859 56.662 54.840 -0.062 0.000 0.767 228 L CB -0.210 41.666 42.059 -0.306 0.000 0.917 228 L HN 0.536 nan 8.230 nan 0.000 0.441 229 Q N -0.547 119.226 119.800 -0.046 0.000 2.308 229 Q HA -0.252 4.089 4.340 0.001 0.000 0.209 229 Q C 1.507 177.500 176.000 -0.011 0.000 0.985 229 Q CA 1.634 57.420 55.803 -0.028 0.000 0.881 229 Q CB -0.558 28.179 28.738 -0.002 0.000 0.917 229 Q HN 0.521 nan 8.270 nan 0.000 0.443 230 Q N -0.056 119.745 119.800 0.003 0.000 2.228 230 Q HA 0.175 4.516 4.340 0.001 0.000 0.211 230 Q C -0.416 175.587 176.000 0.005 0.000 0.890 230 Q CA -0.175 55.633 55.803 0.009 0.000 0.953 230 Q CB 0.628 29.380 28.738 0.023 0.000 1.053 230 Q HN 0.135 nan 8.270 nan 0.000 0.471 231 R N 0.456 120.951 120.500 -0.009 0.000 2.639 231 R HA 0.173 4.514 4.340 0.001 0.000 0.273 231 R C -2.197 174.091 176.300 -0.021 0.000 1.732 231 R CA -1.575 54.519 56.100 -0.010 0.000 1.586 231 R CB 0.885 31.181 30.300 -0.007 0.000 1.263 231 R HN 0.072 nan 8.270 nan 0.000 0.615 232 P HA -0.234 nan 4.420 nan 0.000 0.215 232 P C 0.512 177.802 177.300 -0.016 0.000 1.157 232 P CA 1.618 64.709 63.100 -0.016 0.000 0.874 232 P CB 0.278 31.972 31.700 -0.009 0.000 0.790 233 D N 1.315 121.708 120.400 -0.011 0.000 2.204 233 D HA -0.256 4.385 4.640 0.001 0.000 0.189 233 D C 2.047 178.339 176.300 -0.014 0.000 1.006 233 D CA 2.287 56.281 54.000 -0.010 0.000 0.855 233 D CB -1.487 39.310 40.800 -0.006 0.000 0.946 233 D HN 0.340 nan 8.370 nan 0.000 0.448 234 M N -1.366 118.223 119.600 -0.018 0.000 2.516 234 M HA 0.294 4.775 4.480 0.001 0.000 0.259 234 M C 2.129 178.402 176.300 -0.045 0.000 1.146 234 M CA 0.183 55.469 55.300 -0.023 0.000 1.122 234 M CB 0.039 32.632 32.600 -0.013 0.000 1.341 234 M HN 0.102 nan 8.290 nan 0.000 0.478 235 L N 1.744 122.930 121.223 -0.062 0.000 2.042 235 L HA -0.137 4.203 4.340 0.001 0.000 0.210 235 L C 2.791 179.629 176.870 -0.053 0.000 1.076 235 L CA 1.833 56.620 54.840 -0.089 0.000 0.749 235 L CB -0.363 41.649 42.059 -0.080 0.000 0.893 235 L HN 0.490 nan 8.230 nan 0.000 0.432 236 A N 0.591 123.393 122.820 -0.030 0.000 1.972 236 A HA -0.218 4.103 4.320 0.001 0.000 0.219 236 A C 2.070 179.650 177.584 -0.006 0.000 1.169 236 A CA 1.766 53.794 52.037 -0.014 0.000 0.635 236 A CB -0.518 18.476 19.000 -0.010 0.000 0.810 236 A HN 0.701 nan 8.150 nan 0.000 0.446 237 R N 0.071 120.567 120.500 -0.008 0.000 2.507 237 R HA 0.174 4.515 4.340 0.001 0.000 0.298 237 R C 0.500 176.809 176.300 0.015 0.000 0.999 237 R CA -0.451 55.651 56.100 0.004 0.000 1.082 237 R CB -0.198 30.101 30.300 -0.001 0.000 1.246 237 R HN 0.580 nan 8.270 nan 0.000 0.553 238 R N 0.648 121.154 120.500 0.009 0.000 2.774 238 R HA 0.359 4.699 4.340 0.001 0.000 0.269 238 R C -0.599 175.753 176.300 0.085 0.000 1.068 238 R CA 0.029 56.151 56.100 0.035 0.000 1.180 238 R CB 0.418 30.702 30.300 -0.028 0.000 1.077 238 R HN 0.068 nan 8.270 nan 0.000 0.513 239 A N 2.256 125.161 122.820 0.142 0.000 2.362 239 A HA 0.172 4.492 4.320 0.001 0.000 0.276 239 A C -0.685 177.011 177.584 0.186 0.000 1.153 239 A CA -0.718 51.415 52.037 0.160 0.000 0.813 239 A CB 0.282 19.391 19.000 0.182 0.000 1.081 239 A HN 0.763 nan 8.150 nan 0.000 0.507 240 D N 2.030 122.537 120.400 0.178 0.000 2.345 240 D HA 0.149 4.790 4.640 0.001 0.000 0.247 240 D C 0.280 176.669 176.300 0.149 0.000 1.108 240 D CA 0.237 54.356 54.000 0.197 0.000 0.894 240 D CB 0.705 41.696 40.800 0.318 0.000 1.203 240 D HN 0.470 nan 8.370 nan 0.000 0.430 241 Q N 0.687 120.532 119.800 0.076 0.000 2.392 241 Q HA 0.196 4.537 4.340 0.001 0.000 0.262 241 Q C -0.234 175.769 176.000 0.005 0.000 1.003 241 Q CA 0.467 56.295 55.803 0.041 0.000 0.888 241 Q CB 0.982 29.727 28.738 0.012 0.000 1.260 241 Q HN 0.338 nan 8.270 nan 0.000 0.435 242 T N 2.423 117.010 114.554 0.055 0.000 2.863 242 T HA 0.328 4.679 4.350 0.001 0.000 0.285 242 T C -0.875 173.869 174.700 0.074 0.000 1.009 242 T CA -0.507 61.632 62.100 0.066 0.000 0.989 242 T CB 1.123 70.042 68.868 0.085 0.000 1.004 242 T HN 0.366 nan 8.240 nan 0.000 0.455 243 H N 2.115 121.178 119.070 -0.013 0.000 2.679 243 H HA 0.474 5.030 4.556 0.001 0.000 0.360 243 H C -0.630 174.692 175.328 -0.010 0.000 1.105 243 H CA -0.731 55.307 56.048 -0.016 0.000 1.196 243 H CB 1.636 31.381 29.762 -0.028 0.000 1.636 243 H HN 0.556 nan 8.280 nan 0.000 0.531 244 R N 4.213 124.590 120.500 -0.205 0.000 2.368 244 R HA 0.277 4.618 4.340 0.001 0.000 0.302 244 R C -0.764 175.576 176.300 0.067 0.000 1.002 244 R CA -0.636 55.423 56.100 -0.068 0.000 0.929 244 R CB 0.751 30.954 30.300 -0.161 0.000 1.073 244 R HN 0.644 nan 8.270 nan 0.000 0.464 245 N N 1.896 120.647 118.700 0.085 0.000 2.524 245 N HA 0.042 4.783 4.740 0.001 0.000 0.283 245 N C 0.286 175.819 175.510 0.037 0.000 1.142 245 N CA -0.336 52.770 53.050 0.092 0.000 0.984 245 N CB 1.729 40.251 38.487 0.058 0.000 1.155 245 N HN 0.596 nan 8.380 nan 0.000 0.467 246 S N 1.135 116.859 115.700 0.040 0.000 2.383 246 S HA -0.132 4.338 4.470 0.001 0.000 0.227 246 S C 2.010 176.609 174.600 -0.003 0.000 1.026 246 S CA 0.957 59.163 58.200 0.009 0.000 0.981 246 S CB -0.173 63.035 63.200 0.013 0.000 0.818 246 S HN 0.741 nan 8.310 nan 0.000 0.472 247 A N 2.279 125.101 122.820 0.003 0.000 1.858 247 A HA -0.139 4.181 4.320 0.001 0.000 0.216 247 A C 1.780 179.360 177.584 -0.007 0.000 1.190 247 A CA 1.865 53.900 52.037 -0.003 0.000 0.617 247 A CB -0.667 18.333 19.000 -0.000 0.000 0.827 247 A HN 0.420 nan 8.150 nan 0.000 0.443 248 D N -2.313 118.085 120.400 -0.004 0.000 2.202 248 D HA 0.311 4.952 4.640 0.001 0.000 0.214 248 D C 1.572 177.861 176.300 -0.017 0.000 0.967 248 D CA 1.708 55.704 54.000 -0.007 0.000 0.871 248 D CB -0.254 40.546 40.800 0.001 0.000 1.020 248 D HN 0.657 nan 8.370 nan 0.000 0.474 249 G N -0.019 108.768 108.800 -0.021 0.000 2.176 249 G HA2 -0.277 3.684 3.960 0.001 0.000 0.232 249 G HA3 -0.277 3.684 3.960 0.001 0.000 0.232 249 G C 0.428 175.309 174.900 -0.032 0.000 0.986 249 G CA -0.085 44.993 45.100 -0.037 0.000 0.643 249 G HN 0.247 nan 8.290 nan 0.000 0.522 250 R N -0.370 120.122 120.500 -0.012 0.000 2.549 250 R HA 0.704 5.044 4.340 0.001 0.000 0.267 250 R C 0.171 176.480 176.300 0.014 0.000 1.045 250 R CA -0.468 55.632 56.100 -0.001 0.000 1.115 250 R CB 0.541 30.845 30.300 0.008 0.000 1.121 250 R HN 0.315 nan 8.270 nan 0.000 0.543 251 L N -0.461 120.776 121.223 0.025 0.000 2.342 251 L HA 0.686 5.026 4.340 0.001 0.000 0.271 251 L C -0.308 176.606 176.870 0.073 0.000 1.008 251 L CA -0.880 53.986 54.840 0.043 0.000 0.818 251 L CB 1.512 43.588 42.059 0.028 0.000 1.296 251 L HN 0.605 nan 8.230 nan 0.000 0.427 252 R N 0.309 120.870 120.500 0.101 0.000 2.867 252 R HA 0.564 4.904 4.340 0.001 0.000 0.268 252 R C -1.069 175.326 176.300 0.159 0.000 1.014 252 R CA -0.952 55.223 56.100 0.125 0.000 0.946 252 R CB 0.983 31.349 30.300 0.109 0.000 1.208 252 R HN 0.613 nan 8.270 nan 0.000 0.477 253 Y N 0.805 121.142 120.300 0.061 0.000 2.426 253 Y HA 0.234 4.784 4.550 0.001 0.000 0.344 253 Y C -0.484 175.458 175.900 0.070 0.000 1.256 253 Y CA 1.010 59.149 58.100 0.064 0.000 1.451 253 Y CB 0.805 39.294 38.460 0.049 0.000 1.342 253 Y HN 0.826 nan 8.280 nan 0.000 0.600 267 F N 1.760 121.701 119.950 -0.014 0.000 2.375 267 F HA 0.584 5.112 4.527 0.001 0.000 0.333 267 F C 1.446 177.318 175.800 0.119 0.000 1.104 267 F CA 0.995 58.978 58.000 -0.029 0.000 1.149 267 F CB 0.698 39.682 39.000 -0.027 0.000 1.190 267 F HN 0.437 nan 8.300 nan 0.000 0.533 268 G N 0.237 109.194 108.800 0.262 0.000 2.716 268 G HA2 0.384 4.345 3.960 0.001 0.000 0.251 268 G HA3 0.384 4.345 3.960 0.001 0.000 0.251 268 G C 0.950 176.033 174.900 0.306 0.000 1.224 268 G CA -0.014 45.287 45.100 0.334 0.000 0.891 268 G HN 1.304 nan 8.290 nan 0.000 0.561 269 G N -1.320 107.646 108.800 0.277 0.000 2.363 269 G HA2 -0.082 3.879 3.960 0.001 0.000 0.238 269 G HA3 -0.082 3.879 3.960 0.001 0.000 0.238 269 G C 0.306 175.354 174.900 0.246 0.000 1.062 269 G CA 1.475 46.717 45.100 0.236 0.000 0.629 269 G HN 1.530 nan 8.290 nan 0.000 0.514 270 Q N -2.013 117.936 119.800 0.249 0.000 2.575 270 Q HA 0.613 4.954 4.340 0.001 0.000 0.290 270 Q C 0.301 176.410 176.000 0.183 0.000 0.963 270 Q CA 0.114 56.026 55.803 0.183 0.000 0.783 270 Q CB 1.083 29.903 28.738 0.136 0.000 1.467 270 Q HN 1.999 nan 8.270 nan 0.000 0.402 271 G N -0.774 108.057 108.800 0.051 0.000 2.215 271 G HA2 -0.055 3.906 3.960 0.001 0.000 0.198 271 G HA3 -0.055 3.906 3.960 0.001 0.000 0.198 271 G C -0.747 174.067 174.900 -0.144 0.000 1.047 271 G CA -0.185 44.931 45.100 0.027 0.000 0.747 271 G HN 0.560 nan 8.290 nan 0.000 0.495 272 V N 0.197 119.918 119.914 -0.321 0.000 2.532 272 V HA 0.769 4.889 4.120 0.001 0.000 0.295 272 V C -0.022 175.918 176.094 -0.257 0.000 1.041 272 V CA -0.676 61.371 62.300 -0.423 0.000 0.926 272 V CB 1.600 33.153 31.823 -0.449 0.000 0.992 272 V HN 0.240 nan 8.190 nan 0.000 0.457 273 F N 3.142 123.047 119.950 -0.076 0.000 2.411 273 F HA 0.651 5.179 4.527 0.001 0.000 0.352 273 F C 0.393 176.212 175.800 0.032 0.000 1.123 273 F CA 0.060 58.069 58.000 0.015 0.000 1.044 273 F CB 1.936 40.953 39.000 0.028 0.000 1.135 273 F HN 0.519 nan 8.300 nan 0.000 0.461 274 S N 2.466 118.294 115.700 0.213 0.000 2.579 274 S HA 0.777 5.248 4.470 0.001 0.000 0.272 274 S C -0.480 174.174 174.600 0.091 0.000 1.141 274 S CA -0.731 57.568 58.200 0.165 0.000 0.843 274 S CB 1.468 64.779 63.200 0.184 0.000 1.122 274 S HN 0.885 nan 8.310 nan 0.000 0.468 275 G N 2.072 110.889 108.800 0.028 0.000 2.398 275 G HA2 0.455 4.415 3.960 0.001 0.000 0.246 275 G HA3 0.455 4.415 3.960 0.001 0.000 0.246 275 G C -1.275 173.517 174.900 -0.181 0.000 1.289 275 G CA -1.392 43.655 45.100 -0.089 0.000 0.869 275 G HN 0.601 nan 8.290 nan 0.000 0.543 276 P HA -0.102 nan 4.420 nan 0.000 0.220 276 P C 1.855 179.053 177.300 -0.169 0.000 1.148 276 P CA 1.386 64.090 63.100 -0.659 0.000 0.803 276 P CB 0.159 31.155 31.700 -1.173 0.000 0.782 277 G N 0.101 108.814 108.800 -0.145 0.000 2.422 277 G HA2 -0.206 3.755 3.960 0.001 0.000 0.218 277 G HA3 -0.206 3.755 3.960 0.001 0.000 0.218 277 G C 1.737 176.637 174.900 -0.001 0.000 1.146 277 G CA 0.780 45.842 45.100 -0.062 0.000 0.769 277 G HN 0.238 nan 8.290 nan 0.000 0.547 278 S N -0.539 115.171 115.700 0.017 0.000 2.371 278 S HA -0.051 4.420 4.470 0.001 0.000 0.224 278 S C 1.947 176.598 174.600 0.085 0.000 1.029 278 S CA 0.659 58.886 58.200 0.045 0.000 0.978 278 S CB -0.426 62.802 63.200 0.047 0.000 0.833 278 S HN 0.444 nan 8.310 nan 0.000 0.466 279 Y N 1.812 122.130 120.300 0.029 0.000 2.151 279 Y HA -0.263 4.287 4.550 0.001 0.000 0.284 279 Y C 2.415 178.350 175.900 0.057 0.000 1.166 279 Y CA 1.848 59.989 58.100 0.069 0.000 1.163 279 Y CB -0.360 38.210 38.460 0.183 0.000 0.974 279 Y HN 0.192 nan 8.280 nan 0.000 0.511 280 M N 0.764 120.478 119.600 0.190 0.000 2.065 280 M HA -0.252 4.228 4.480 0.001 0.000 0.259 280 M C 1.974 178.301 176.300 0.046 0.000 1.071 280 M CA 1.952 57.325 55.300 0.121 0.000 1.109 280 M CB -0.583 32.066 32.600 0.081 0.000 1.313 280 M HN 0.105 nan 8.290 nan 0.000 0.408 281 K N -0.910 119.510 120.400 0.033 0.000 2.107 281 K HA -0.222 4.099 4.320 0.001 0.000 0.211 281 K C 1.843 178.462 176.600 0.031 0.000 1.049 281 K CA 1.974 58.291 56.287 0.051 0.000 0.927 281 K CB -0.838 31.678 32.500 0.027 0.000 0.714 281 K HN 0.319 nan 8.250 nan 0.000 0.452 282 V N 1.652 121.525 119.914 -0.069 0.000 2.261 282 V HA -0.235 3.886 4.120 0.001 0.000 0.246 282 V C 2.239 178.254 176.094 -0.130 0.000 1.047 282 V CA 1.629 63.841 62.300 -0.148 0.000 1.015 282 V CB -0.398 31.226 31.823 -0.331 0.000 0.642 282 V HN 0.281 nan 8.190 nan 0.000 0.446 283 L N -0.765 120.372 121.223 -0.143 0.000 2.127 283 L HA -0.223 4.118 4.340 0.001 0.000 0.211 283 L C 2.554 179.483 176.870 0.097 0.000 1.089 283 L CA 1.566 56.378 54.840 -0.047 0.000 0.757 283 L CB -0.701 41.379 42.059 0.035 0.000 0.899 283 L HN 0.440 nan 8.230 nan 0.000 0.434 284 H N 0.052 119.113 119.070 -0.014 0.000 2.284 284 H HA -0.135 4.422 4.556 0.001 0.000 0.304 284 H C 2.531 177.855 175.328 -0.008 0.000 1.069 284 H CA 1.588 57.637 56.048 0.002 0.000 1.327 284 H CB -0.300 29.463 29.762 0.001 0.000 1.387 284 H HN 0.334 nan 8.280 nan 0.000 0.498 285 S N 0.387 116.085 115.700 -0.004 0.000 2.374 285 S HA -0.192 4.279 4.470 0.001 0.000 0.227 285 S C 2.414 176.980 174.600 -0.057 0.000 1.037 285 S CA 1.614 59.767 58.200 -0.079 0.000 1.024 285 S CB -0.930 62.243 63.200 -0.044 0.000 0.861 285 S HN 0.402 nan 8.310 nan 0.000 0.456 286 L N 0.447 121.662 121.223 -0.014 0.000 1.976 286 L HA -0.083 4.258 4.340 0.001 0.000 0.209 286 L C 2.732 179.612 176.870 0.017 0.000 1.071 286 L CA 1.574 56.428 54.840 0.024 0.000 0.746 286 L CB -0.796 41.302 42.059 0.066 0.000 0.890 286 L HN 0.352 nan 8.230 nan 0.000 0.432 287 L N 1.160 122.406 121.223 0.037 0.000 2.021 287 L HA -0.233 4.108 4.340 0.001 0.000 0.215 287 L C 1.997 178.833 176.870 -0.057 0.000 1.074 287 L CA 2.016 56.867 54.840 0.019 0.000 0.760 287 L CB -0.612 41.501 42.059 0.090 0.000 0.889 287 L HN 0.331 nan 8.230 nan 0.000 0.433 288 K N -0.027 120.315 120.400 -0.097 0.000 2.814 288 K HA 0.191 4.512 4.320 0.001 0.000 0.213 288 K C 0.259 176.796 176.600 -0.106 0.000 1.113 288 K CA -0.115 56.097 56.287 -0.125 0.000 1.145 288 K CB -0.010 32.355 32.500 -0.224 0.000 0.948 288 K HN 0.406 nan 8.250 nan 0.000 0.464 289 R N 0.655 121.106 120.500 -0.081 0.000 3.973 289 R HA -0.249 4.092 4.340 0.001 0.000 0.322 289 R C 0.173 176.439 176.300 -0.056 0.000 1.238 289 R CA 1.917 57.980 56.100 -0.062 0.000 0.937 289 R CB -2.700 27.564 30.300 -0.060 0.000 1.340 289 R HN 0.704 nan 8.270 nan 0.000 0.552 290 D N 0.553 120.910 120.400 -0.072 0.000 2.350 290 D HA -0.052 4.588 4.640 0.001 0.000 0.216 290 D C 1.462 177.735 176.300 -0.045 0.000 0.968 290 D CA 1.479 55.438 54.000 -0.068 0.000 0.894 290 D CB -0.493 40.249 40.800 -0.097 0.000 0.909 290 D HN 0.717 nan 8.370 nan 0.000 0.520 291 G N 0.181 108.961 108.800 -0.035 0.000 2.189 291 G HA2 -0.332 3.628 3.960 0.001 0.000 0.267 291 G HA3 -0.332 3.628 3.960 0.001 0.000 0.267 291 G C 0.918 175.807 174.900 -0.019 0.000 0.975 291 G CA 0.594 45.681 45.100 -0.021 0.000 0.644 291 G HN 0.388 nan 8.290 nan 0.000 0.537 292 L N -0.431 120.777 121.223 -0.025 0.000 2.141 292 L HA 0.163 4.504 4.340 0.001 0.000 0.209 292 L C 2.508 179.366 176.870 -0.020 0.000 1.094 292 L CA 2.567 57.393 54.840 -0.023 0.000 0.763 292 L CB -0.204 41.839 42.059 -0.027 0.000 0.908 292 L HN 0.573 nan 8.230 nan 0.000 0.437 293 L N -5.415 115.798 121.223 -0.017 0.000 2.840 293 L HA 0.454 4.794 4.340 0.001 0.000 0.249 293 L C 0.107 176.980 176.870 0.006 0.000 1.119 293 L CA 0.202 55.036 54.840 -0.010 0.000 0.930 293 L CB -0.147 41.903 42.059 -0.016 0.000 1.295 293 L HN -0.125 nan 8.230 nan 0.000 0.534 294 L N -0.509 120.718 121.223 0.006 0.000 2.389 294 L HA 0.614 4.954 4.340 0.001 0.000 0.249 294 L C -1.169 175.709 176.870 0.013 0.000 1.083 294 L CA -0.267 54.584 54.840 0.019 0.000 0.876 294 L CB 2.030 44.105 42.059 0.028 0.000 1.489 294 L HN 0.166 nan 8.230 nan 0.000 0.412 295 Q N 1.023 120.834 119.800 0.019 0.000 2.339 295 Q HA 0.361 4.702 4.340 0.001 0.000 0.268 295 Q C -1.981 174.028 176.000 0.014 0.000 1.027 295 Q CA -1.726 54.085 55.803 0.013 0.000 0.759 295 Q CB 1.930 30.677 28.738 0.014 0.000 1.244 295 Q HN 0.284 nan 8.270 nan 0.000 0.464 296 P HA -0.329 nan 4.420 nan 0.000 0.226 296 P C 0.591 177.897 177.300 0.009 0.000 1.154 296 P CA 1.636 64.736 63.100 -0.001 0.000 0.901 296 P CB 0.390 32.082 31.700 -0.014 0.000 0.788 297 Q N -1.502 118.305 119.800 0.011 0.000 2.061 297 Q HA -0.155 4.186 4.340 0.001 0.000 0.204 297 Q C 2.289 178.310 176.000 0.034 0.000 0.984 297 Q CA 2.560 58.374 55.803 0.018 0.000 0.846 297 Q CB -1.534 27.213 28.738 0.015 0.000 0.902 297 Q HN 0.433 nan 8.270 nan 0.000 0.421 298 T N -2.695 111.882 114.554 0.037 0.000 2.951 298 T HA -0.022 4.328 4.350 0.001 0.000 0.268 298 T C 1.835 176.580 174.700 0.075 0.000 1.073 298 T CA 0.921 63.050 62.100 0.049 0.000 1.134 298 T CB -0.371 68.521 68.868 0.040 0.000 0.884 298 T HN 0.046 nan 8.240 nan 0.000 0.479 299 V N 2.374 122.337 119.914 0.081 0.000 2.358 299 V HA -0.124 3.997 4.120 0.001 0.000 0.246 299 V C 2.576 178.797 176.094 0.212 0.000 1.047 299 V CA 2.018 64.401 62.300 0.138 0.000 1.035 299 V CB -0.618 31.264 31.823 0.097 0.000 0.658 299 V HN 0.478 nan 8.190 nan 0.000 0.452 300 D N 0.063 120.532 120.400 0.115 0.000 2.158 300 D HA -0.179 4.462 4.640 0.001 0.000 0.197 300 D C 2.172 178.577 176.300 0.174 0.000 0.995 300 D CA 1.148 55.215 54.000 0.111 0.000 0.846 300 D CB -0.246 40.580 40.800 0.042 0.000 0.941 300 D HN 0.315 nan 8.370 nan 0.000 0.456 301 L N 0.186 121.487 121.223 0.130 0.000 2.012 301 L HA -0.195 4.146 4.340 0.001 0.000 0.210 301 L C 2.603 179.545 176.870 0.121 0.000 1.073 301 L CA 1.036 55.941 54.840 0.107 0.000 0.748 301 L CB -0.315 41.787 42.059 0.072 0.000 0.891 301 L HN 0.088 nan 8.230 nan 0.000 0.431 302 M N -1.340 118.343 119.600 0.138 0.000 2.143 302 M HA -0.276 4.205 4.480 0.001 0.000 0.258 302 M C 1.908 178.172 176.300 -0.061 0.000 1.071 302 M CA 1.948 57.270 55.300 0.037 0.000 1.088 302 M CB -0.404 32.206 32.600 0.017 0.000 1.360 302 M HN 0.115 nan 8.290 nan 0.000 0.404 303 F N -0.236 119.728 119.950 0.023 0.000 2.780 303 F HA 0.028 4.556 4.527 0.001 0.000 0.299 303 F C 1.000 176.808 175.800 0.012 0.000 1.146 303 F CA 0.131 58.142 58.000 0.017 0.000 1.428 303 F CB -0.153 38.862 39.000 0.024 0.000 1.115 303 F HN 0.033 nan 8.300 nan 0.000 0.583 304 Q N 1.850 121.746 119.800 0.160 0.000 2.297 304 Q HA 0.161 4.502 4.340 0.001 0.000 0.267 304 Q C -2.323 173.718 176.000 0.068 0.000 1.006 304 Q CA -2.412 53.451 55.803 0.101 0.000 0.896 304 Q CB 0.042 28.828 28.738 0.081 0.000 1.186 304 Q HN 0.018 nan 8.270 nan 0.000 0.392 305 P HA 0.040 nan 4.420 nan 0.000 0.268 305 P C -0.095 177.246 177.300 0.068 0.000 1.282 305 P CA 0.195 63.326 63.100 0.052 0.000 0.880 305 P CB 0.470 32.193 31.700 0.039 0.000 0.971 306 A N 5.183 128.061 122.820 0.098 0.000 2.067 306 A HA -0.007 4.314 4.320 0.001 0.000 0.217 306 A C 1.002 178.647 177.584 0.101 0.000 1.156 306 A CA 0.623 52.721 52.037 0.101 0.000 0.683 306 A CB -0.411 18.669 19.000 0.133 0.000 0.808 306 A HN 0.408 nan 8.150 nan 0.000 0.455 307 L N 1.897 123.188 121.223 0.113 0.000 2.418 307 L HA 0.134 4.474 4.340 0.001 0.000 0.274 307 L C 0.056 176.968 176.870 0.070 0.000 1.135 307 L CA 0.193 55.095 54.840 0.103 0.000 0.870 307 L CB -0.069 42.044 42.059 0.091 0.000 1.154 307 L HN 0.402 nan 8.230 nan 0.000 0.462 308 E N 5.490 125.731 120.200 0.068 0.000 2.438 308 E HA -0.039 4.312 4.350 0.001 0.000 0.261 308 E C -1.458 175.168 176.600 0.044 0.000 1.103 308 E CA -0.780 55.650 56.400 0.050 0.000 0.959 308 E CB 0.212 29.942 29.700 0.051 0.000 0.958 308 E HN 0.397 nan 8.360 nan 0.000 0.447 309 P HA -0.229 nan 4.420 nan 0.000 0.215 309 P C 1.180 178.497 177.300 0.028 0.000 1.157 309 P CA 1.314 64.430 63.100 0.027 0.000 0.868 309 P CB 0.139 31.853 31.700 0.022 0.000 0.788 310 R N 0.332 120.850 120.500 0.030 0.000 2.115 310 R HA -0.013 4.328 4.340 0.001 0.000 0.226 310 R C 1.988 178.312 176.300 0.040 0.000 1.100 310 R CA 1.262 57.381 56.100 0.031 0.000 0.980 310 R CB -1.463 28.854 30.300 0.028 0.000 0.875 310 R HN 0.229 nan 8.270 nan 0.000 0.445 311 L N 1.440 122.692 121.223 0.048 0.000 2.027 311 L HA -0.162 4.179 4.340 0.001 0.000 0.206 311 L C 2.640 179.545 176.870 0.058 0.000 1.074 311 L CA 2.108 56.988 54.840 0.067 0.000 0.745 311 L CB -0.422 41.689 42.059 0.087 0.000 0.898 311 L HN 0.343 nan 8.230 nan 0.000 0.433 312 E N -0.732 119.491 120.200 0.038 0.000 2.268 312 E HA -0.234 4.117 4.350 0.001 0.000 0.195 312 E C 1.915 178.514 176.600 -0.001 0.000 0.995 312 E CA 0.925 57.328 56.400 0.007 0.000 0.836 312 E CB -0.125 29.579 29.700 0.007 0.000 0.763 312 E HN 0.344 nan 8.360 nan 0.000 0.491 313 E N 1.176 121.387 120.200 0.018 0.000 2.033 313 E HA -0.203 4.148 4.350 0.001 0.000 0.189 313 E C 2.214 178.833 176.600 0.033 0.000 0.979 313 E CA 1.604 58.016 56.400 0.019 0.000 0.802 313 E CB -0.070 29.644 29.700 0.023 0.000 0.763 313 E HN 0.601 nan 8.360 nan 0.000 0.449 314 Q N 0.328 120.158 119.800 0.050 0.000 2.181 314 Q HA -0.150 4.191 4.340 0.001 0.000 0.205 314 Q C 2.168 178.233 176.000 0.109 0.000 0.980 314 Q CA 1.934 57.784 55.803 0.079 0.000 0.862 314 Q CB -0.526 28.260 28.738 0.081 0.000 0.905 314 Q HN 0.228 nan 8.270 nan 0.000 0.429 315 M N 0.425 120.065 119.600 0.068 0.000 2.064 315 M HA -0.171 4.310 4.480 0.001 0.000 0.260 315 M C 1.348 177.636 176.300 -0.020 0.000 1.073 315 M CA 1.830 57.139 55.300 0.014 0.000 1.124 315 M CB -0.249 32.233 32.600 -0.197 0.000 1.326 315 M HN 0.311 nan 8.290 nan 0.000 0.410 316 N N 0.651 119.323 118.700 -0.047 0.000 2.060 316 N HA -0.237 4.504 4.740 0.001 0.000 0.195 316 N C 1.682 177.194 175.510 0.004 0.000 1.028 316 N CA 1.705 54.731 53.050 -0.041 0.000 0.861 316 N CB -0.625 37.844 38.487 -0.030 0.000 1.029 316 N HN 0.568 nan 8.380 nan 0.000 0.428 317 Q N -0.219 119.608 119.800 0.045 0.000 2.061 317 Q HA -0.203 4.138 4.340 0.001 0.000 0.204 317 Q C 1.997 178.062 176.000 0.109 0.000 0.984 317 Q CA 1.512 57.357 55.803 0.070 0.000 0.846 317 Q CB -0.389 28.399 28.738 0.083 0.000 0.902 317 Q HN 0.579 nan 8.270 nan 0.000 0.421 318 H N 0.739 119.847 119.070 0.063 0.000 2.290 318 H HA -0.074 4.483 4.556 0.001 0.000 0.298 318 H C 1.972 177.370 175.328 0.117 0.000 1.087 318 H CA 2.030 58.143 56.048 0.109 0.000 1.291 318 H CB -0.200 29.655 29.762 0.154 0.000 1.369 318 H HN 0.101 nan 8.280 nan 0.000 0.492 319 M N 0.086 119.586 119.600 -0.167 0.000 2.159 319 M HA -0.141 4.340 4.480 0.001 0.000 0.263 319 M C 1.540 177.779 176.300 -0.101 0.000 1.063 319 M CA 1.599 56.796 55.300 -0.172 0.000 1.110 319 M CB -0.193 32.350 32.600 -0.095 0.000 1.374 319 M HN 0.334 nan 8.290 nan 0.000 0.411 320 D N 0.933 121.300 120.400 -0.055 0.000 2.117 320 D HA -0.064 4.577 4.640 0.001 0.000 0.198 320 D C 1.971 178.258 176.300 -0.022 0.000 0.982 320 D CA 1.561 55.543 54.000 -0.029 0.000 0.828 320 D CB -0.196 40.600 40.800 -0.007 0.000 0.967 320 D HN 0.329 nan 8.370 nan 0.000 0.464 321 A N 0.540 123.356 122.820 -0.006 0.000 2.121 321 A HA -0.043 4.278 4.320 0.001 0.000 0.218 321 A C 1.155 178.755 177.584 0.026 0.000 1.154 321 A CA 0.913 52.970 52.037 0.034 0.000 0.679 321 A CB -0.156 18.897 19.000 0.088 0.000 0.795 321 A HN 0.220 nan 8.150 nan 0.000 0.458 322 S N -0.710 114.935 115.700 -0.091 0.000 2.252 322 S HA 0.435 4.905 4.470 0.001 0.000 0.180 322 S C -1.852 172.579 174.600 -0.283 0.000 1.534 322 S CA -1.018 57.051 58.200 -0.219 0.000 1.141 322 S CB 1.194 64.190 63.200 -0.339 0.000 1.122 322 S HN 0.302 nan 8.310 nan 0.000 0.475 323 P HA -0.090 nan 4.420 nan 0.000 0.230 323 P C 1.415 178.656 177.300 -0.099 0.000 1.168 323 P CA 0.786 63.830 63.100 -0.093 0.000 0.793 323 P CB -0.230 31.460 31.700 -0.015 0.000 0.851 324 H N -0.124 118.922 119.070 -0.040 0.000 2.423 324 H HA 0.030 4.587 4.556 0.001 0.000 0.297 324 H C 1.814 177.120 175.328 -0.036 0.000 1.075 324 H CA 0.733 56.759 56.048 -0.038 0.000 1.342 324 H CB -0.965 28.786 29.762 -0.018 0.000 1.395 324 H HN 0.156 nan 8.280 nan 0.000 0.530 325 I N 0.768 121.033 120.570 -0.509 0.000 2.296 325 I HA -0.155 4.016 4.170 0.001 0.000 0.242 325 I C 0.440 176.425 176.117 -0.220 0.000 1.087 325 I CA 0.657 61.723 61.300 -0.390 0.000 1.393 325 I CB -0.410 37.186 38.000 -0.674 0.000 1.093 325 I HN 0.160 nan 8.210 nan 0.000 0.421 326 N N 0.734 119.282 118.700 -0.252 0.000 2.608 326 N HA -0.256 4.485 4.740 0.001 0.000 0.273 326 N C 0.157 175.703 175.510 0.061 0.000 1.133 326 N CA 0.354 53.361 53.050 -0.072 0.000 0.726 326 N CB -1.247 37.200 38.487 -0.067 0.000 0.890 326 N HN 0.309 nan 8.380 nan 0.000 0.548 327 Y N -0.299 120.005 120.300 0.006 0.000 2.274 327 Y HA -0.013 4.538 4.550 0.001 0.000 0.290 327 Y C 2.372 178.250 175.900 -0.036 0.000 1.145 327 Y CA 1.390 59.442 58.100 -0.079 0.000 1.203 327 Y CB -0.293 38.114 38.460 -0.090 0.000 0.984 327 Y HN 0.517 nan 8.280 nan 0.000 0.533 328 G N -0.594 108.280 108.800 0.123 0.000 2.442 328 G HA2 0.089 4.050 3.960 0.001 0.000 0.219 328 G HA3 0.089 4.050 3.960 0.001 0.000 0.219 328 G C 1.625 176.547 174.900 0.035 0.000 1.141 328 G CA 1.158 46.280 45.100 0.036 0.000 0.763 328 G HN 0.686 nan 8.290 nan 0.000 0.554 329 G N 0.480 109.316 108.800 0.061 0.000 3.031 329 G HA2 -0.292 3.668 3.960 0.001 0.000 0.289 329 G HA3 -0.292 3.668 3.960 0.001 0.000 0.289 329 G C -0.524 174.310 174.900 -0.110 0.000 1.393 329 G CA 0.858 45.920 45.100 -0.063 0.000 1.010 329 G HN 0.519 nan 8.290 nan 0.000 0.579 330 P HA 0.203 nan 4.420 nan 0.000 0.245 330 P C 1.190 178.613 177.300 0.204 0.000 1.199 330 P CA 1.182 64.334 63.100 0.086 0.000 0.807 330 P CB -0.053 31.762 31.700 0.192 0.000 1.002 331 M N -0.994 118.656 119.600 0.084 0.000 2.288 331 M HA 0.581 5.062 4.480 0.001 0.000 0.334 331 M C -2.462 173.857 176.300 0.032 0.000 1.150 331 M CA -2.320 52.982 55.300 0.003 0.000 1.118 331 M CB -0.451 32.008 32.600 -0.234 0.000 1.501 331 M HN -0.382 nan 8.290 nan 0.000 0.462 332 P HA -0.093 nan 4.420 nan 0.000 0.261 332 P C 0.511 177.813 177.300 0.003 0.000 1.158 332 P CA 0.366 63.495 63.100 0.048 0.000 0.758 332 P CB 0.278 32.000 31.700 0.036 0.000 0.763 333 M N 2.166 121.768 119.600 0.003 0.000 2.117 333 M HA -0.060 4.421 4.480 0.001 0.000 0.262 333 M C 0.627 176.917 176.300 -0.017 0.000 1.065 333 M CA 1.523 56.815 55.300 -0.014 0.000 1.114 333 M CB -0.572 32.018 32.600 -0.017 0.000 1.361 333 M HN 0.044 nan 8.290 nan 0.000 0.408 334 V N 2.001 121.909 119.914 -0.010 0.000 2.370 334 V HA 0.476 4.597 4.120 0.001 0.000 0.279 334 V C -0.088 175.996 176.094 -0.016 0.000 1.029 334 V CA -0.339 61.954 62.300 -0.012 0.000 0.870 334 V CB 1.893 33.713 31.823 -0.005 0.000 0.984 334 V HN 0.269 nan 8.190 nan 0.000 0.451 335 L N 4.477 125.683 121.223 -0.028 0.000 2.622 335 L HA 0.588 4.929 4.340 0.001 0.000 0.258 335 L C -0.707 176.138 176.870 -0.041 0.000 0.996 335 L CA -0.904 53.912 54.840 -0.039 0.000 0.858 335 L CB 2.669 44.691 42.059 -0.061 0.000 1.449 335 L HN 0.613 nan 8.230 nan 0.000 0.411 336 R N 2.439 122.914 120.500 -0.041 0.000 2.198 336 R HA 0.574 4.915 4.340 0.001 0.000 0.339 336 R C -1.177 175.091 176.300 -0.053 0.000 1.020 336 R CA -0.351 55.725 56.100 -0.039 0.000 0.864 336 R CB 0.753 31.037 30.300 -0.026 0.000 1.105 336 R HN 0.545 nan 8.270 nan 0.000 0.463 337 R N 1.718 122.179 120.500 -0.065 0.000 2.930 337 R HA 0.557 4.898 4.340 0.001 0.000 0.257 337 R C -0.811 175.445 176.300 -0.073 0.000 1.107 337 R CA -0.817 55.237 56.100 -0.078 0.000 0.999 337 R CB 1.738 31.975 30.300 -0.104 0.000 1.209 337 R HN 0.504 nan 8.270 nan 0.000 0.486 338 S N -0.918 114.743 115.700 -0.065 0.000 2.971 338 S HA 0.733 5.204 4.470 0.001 0.000 0.320 338 S C -1.728 172.867 174.600 -0.008 0.000 1.111 338 S CA -0.588 57.590 58.200 -0.038 0.000 0.870 338 S CB 0.764 63.964 63.200 0.000 0.000 1.331 338 S HN 0.338 nan 8.310 nan 0.000 0.635 339 F N -0.277 119.606 119.950 -0.111 0.000 2.599 339 F HA 0.731 5.258 4.527 0.001 0.000 0.311 339 F C 0.441 176.245 175.800 0.007 0.000 1.076 339 F CA 0.097 58.059 58.000 -0.063 0.000 0.937 339 F CB 1.708 40.677 39.000 -0.053 0.000 1.282 339 F HN 0.697 nan 8.300 nan 0.000 0.460 340 G N 2.504 111.204 108.800 -0.166 0.000 3.414 340 G HA2 0.445 4.406 3.960 0.001 0.000 0.189 340 G HA3 0.445 4.406 3.960 0.001 0.000 0.189 340 G C -1.287 173.682 174.900 0.114 0.000 1.329 340 G CA -0.679 44.403 45.100 -0.030 0.000 0.851 340 G HN 0.517 nan 8.290 nan 0.000 0.671 341 L N 1.064 122.286 121.223 -0.001 0.000 2.445 341 L HA 0.578 4.919 4.340 0.001 0.000 0.252 341 L C 0.818 177.707 176.870 0.031 0.000 1.105 341 L CA 0.223 55.117 54.840 0.089 0.000 0.943 341 L CB 1.067 43.164 42.059 0.064 0.000 1.277 341 L HN 0.964 nan 8.230 nan 0.000 0.465 342 G N 0.919 109.768 108.800 0.082 0.000 2.901 342 G HA2 0.049 4.010 3.960 0.001 0.000 0.194 342 G HA3 0.049 4.010 3.960 0.001 0.000 0.194 342 G C 0.165 175.069 174.900 0.007 0.000 1.020 342 G CA -0.117 45.038 45.100 0.092 0.000 0.787 342 G HN 0.866 nan 8.290 nan 0.000 0.477 343 G N -0.605 107.896 108.800 -0.499 0.000 2.561 343 G HA2 0.569 4.529 3.960 0.001 0.000 0.310 343 G HA3 0.569 4.529 3.960 0.001 0.000 0.310 343 G C -1.129 172.937 174.900 -1.391 0.000 1.292 343 G CA -0.365 44.305 45.100 -0.716 0.000 0.811 343 G HN 0.542 nan 8.290 nan 0.000 0.482 344 I N 0.620 120.858 120.570 -0.554 0.000 2.662 344 I HA 0.435 4.606 4.170 0.001 0.000 0.291 344 I C -0.066 175.871 176.117 -0.301 0.000 1.046 344 I CA -0.267 60.810 61.300 -0.372 0.000 1.361 344 I CB 1.073 39.019 38.000 -0.090 0.000 1.429 344 I HN 0.257 nan 8.210 nan 0.000 0.558 345 I N 3.562 124.002 120.570 -0.218 0.000 2.418 345 I HA 0.323 4.494 4.170 0.001 0.000 0.287 345 I C 0.287 176.350 176.117 -0.090 0.000 1.008 345 I CA -0.799 60.421 61.300 -0.133 0.000 1.104 345 I CB 1.927 39.868 38.000 -0.098 0.000 1.264 345 I HN 0.628 nan 8.210 nan 0.000 0.438 346 A N 7.112 129.883 122.820 -0.082 0.000 2.473 346 A HA 0.263 4.584 4.320 0.001 0.000 0.282 346 A C 1.078 178.630 177.584 -0.053 0.000 1.163 346 A CA -0.024 51.960 52.037 -0.088 0.000 0.827 346 A CB -0.008 18.916 19.000 -0.126 0.000 1.098 346 A HN 0.892 nan 8.150 nan 0.000 0.515 347 L N 1.476 122.670 121.223 -0.048 0.000 2.109 347 L HA -0.043 4.297 4.340 0.001 0.000 0.207 347 L C 1.714 178.571 176.870 -0.022 0.000 1.086 347 L CA 1.227 56.052 54.840 -0.026 0.000 0.760 347 L CB -0.162 41.883 42.059 -0.023 0.000 0.910 347 L HN 0.945 nan 8.230 nan 0.000 0.437 348 E N -0.955 119.225 120.200 -0.034 0.000 2.285 348 E HA 0.138 4.489 4.350 0.001 0.000 0.254 348 E C -0.840 175.735 176.600 -0.043 0.000 1.011 348 E CA -0.894 55.489 56.400 -0.028 0.000 0.873 348 E CB 1.111 30.797 29.700 -0.023 0.000 1.229 348 E HN -0.129 nan 8.360 nan 0.000 0.422 349 D N 0.414 120.795 120.400 -0.031 0.000 2.277 349 D HA 0.098 4.739 4.640 0.001 0.000 0.249 349 D C 0.906 177.172 176.300 -0.057 0.000 1.134 349 D CA -0.227 53.752 54.000 -0.036 0.000 0.863 349 D CB 1.467 42.265 40.800 -0.003 0.000 1.143 349 D HN 0.337 nan 8.370 nan 0.000 0.458 350 L N 2.722 123.870 121.223 -0.126 0.000 2.046 350 L HA -0.089 4.251 4.340 0.001 0.000 0.208 350 L C 0.965 177.843 176.870 0.013 0.000 1.077 350 L CA 1.484 56.221 54.840 -0.173 0.000 0.747 350 L CB -0.094 41.637 42.059 -0.545 0.000 0.896 350 L HN 0.439 nan 8.230 nan 0.000 0.432 351 D N -1.434 119.009 120.400 0.072 0.000 2.634 351 D HA 0.365 5.006 4.640 0.001 0.000 0.236 351 D C 0.416 176.777 176.300 0.102 0.000 1.323 351 D CA 0.583 54.662 54.000 0.131 0.000 0.884 351 D CB -0.164 40.781 40.800 0.242 0.000 1.496 351 D HN 0.227 nan 8.370 nan 0.000 0.525 352 G N 2.958 111.799 108.800 0.067 0.000 2.614 352 G HA2 -0.357 3.604 3.960 0.001 0.000 0.303 352 G HA3 -0.357 3.604 3.960 0.001 0.000 0.303 352 G C 0.711 175.656 174.900 0.074 0.000 1.270 352 G CA 0.633 45.769 45.100 0.061 0.000 0.988 352 G HN 0.452 nan 8.290 nan 0.000 0.551 353 E N 1.267 121.514 120.200 0.080 0.000 2.465 353 E HA 0.210 4.561 4.350 0.001 0.000 0.191 353 E C 2.035 178.721 176.600 0.143 0.000 1.053 353 E CA 0.454 56.915 56.400 0.101 0.000 0.869 353 E CB 0.063 29.807 29.700 0.073 0.000 0.977 353 E HN 0.437 nan 8.360 nan 0.000 0.483 354 N N -0.546 118.234 118.700 0.133 0.000 2.250 354 N HA -0.043 4.697 4.740 0.001 0.000 0.181 354 N C 0.112 175.726 175.510 0.173 0.000 1.017 354 N CA 0.704 53.833 53.050 0.132 0.000 0.866 354 N CB 0.090 38.629 38.487 0.086 0.000 0.985 354 N HN 0.158 nan 8.380 nan 0.000 0.429 355 W N 0.928 122.139 121.300 -0.148 0.000 3.564 355 W HA 0.477 5.138 4.660 0.002 0.000 0.499 355 W C -0.236 176.043 176.519 -0.400 0.000 1.284 355 W CA -1.225 55.816 57.345 -0.507 0.000 0.898 355 W CB -0.153 28.967 29.460 -0.567 0.000 2.588 355 W HN -0.370 nan 8.180 nan 0.000 0.680 356 R N 1.930 122.000 120.500 -0.717 0.000 2.756 356 R HA 0.151 4.491 4.340 0.001 0.000 0.264 356 R C -0.077 176.145 176.300 -0.130 0.000 1.026 356 R CA -0.011 55.838 56.100 -0.419 0.000 1.121 356 R CB 0.265 30.149 30.300 -0.693 0.000 0.999 356 R HN 0.034 nan 8.270 nan 0.000 0.449 357 R N 1.838 122.347 120.500 0.015 0.000 2.732 357 R HA 0.180 4.520 4.340 0.001 0.000 0.278 357 R C -0.384 175.916 176.300 0.000 0.000 0.976 357 R CA -1.096 55.020 56.100 0.026 0.000 0.963 357 R CB 0.768 31.116 30.300 0.081 0.000 1.150 357 R HN 0.526 nan 8.270 nan 0.000 0.478 358 K N 0.610 121.008 120.400 -0.003 0.000 2.513 358 K HA -0.124 4.197 4.320 0.001 0.000 0.275 358 K C 0.620 177.240 176.600 0.033 0.000 1.025 358 K CA 1.792 58.081 56.287 0.003 0.000 1.125 358 K CB -0.115 32.389 32.500 0.007 0.000 0.843 358 K HN 0.816 nan 8.250 nan 0.000 0.486 359 G N 2.140 110.969 108.800 0.049 0.000 2.259 359 G HA2 -0.294 3.666 3.960 0.001 0.000 0.217 359 G HA3 -0.294 3.666 3.960 0.001 0.000 0.217 359 G C -0.059 174.962 174.900 0.201 0.000 1.001 359 G CA 0.144 45.310 45.100 0.110 0.000 0.627 359 G HN 0.979 nan 8.290 nan 0.000 0.501 360 S N 0.421 116.208 115.700 0.145 0.000 2.560 360 S HA 0.518 4.989 4.470 0.001 0.000 0.284 360 S C -0.068 174.615 174.600 0.139 0.000 1.327 360 S CA 0.293 58.610 58.200 0.195 0.000 1.055 360 S CB 1.976 65.235 63.200 0.099 0.000 0.868 360 S HN 1.515 nan 8.310 nan 0.000 0.506 361 L N 3.003 124.337 121.223 0.186 0.000 2.316 361 L HA 0.610 4.951 4.340 0.001 0.000 0.280 361 L C -0.046 176.859 176.870 0.058 0.000 1.006 361 L CA 0.095 54.916 54.840 -0.032 0.000 0.836 361 L CB 1.669 43.473 42.059 -0.425 0.000 1.221 361 L HN 0.945 nan 8.230 nan 0.000 0.418 362 T N 4.017 118.492 114.554 -0.133 0.000 2.918 362 T HA 0.735 5.086 4.350 0.001 0.000 0.286 362 T C -1.188 173.131 174.700 -0.634 0.000 1.026 362 T CA -0.182 61.700 62.100 -0.363 0.000 1.031 362 T CB 0.741 69.471 68.868 -0.230 0.000 1.046 362 T HN 0.450 nan 8.240 nan 0.000 0.479 363 F N 0.494 119.460 119.950 -1.640 0.000 2.985 363 F HA 0.747 5.275 4.527 0.001 0.000 0.322 363 F C -0.167 174.994 175.800 -1.066 0.000 1.187 363 F CA 0.144 57.527 58.000 -1.028 0.000 0.910 363 F CB 1.414 40.099 39.000 -0.525 0.000 1.411 363 F HN 0.886 nan 8.300 nan 0.000 0.492 364 G N -0.367 107.847 108.800 -0.977 0.000 2.606 364 G HA2 0.558 4.519 3.960 0.001 0.000 0.300 364 G HA3 0.558 4.519 3.960 0.001 0.000 0.300 364 G C -1.704 172.924 174.900 -0.453 0.000 1.360 364 G CA -0.204 44.601 45.100 -0.492 0.000 0.783 364 G HN 1.069 nan 8.290 nan 0.000 0.484 365 G N -1.546 107.124 108.800 -0.217 0.000 2.533 365 G HA2 0.596 4.557 3.960 0.001 0.000 0.304 365 G HA3 0.596 4.557 3.960 0.001 0.000 0.304 365 G C 1.100 175.913 174.900 -0.145 0.000 1.263 365 G CA 0.523 45.511 45.100 -0.187 0.000 0.964 365 G HN 1.479 nan 8.290 nan 0.000 0.479 366 G N 0.989 109.704 108.800 -0.141 0.000 2.732 366 G HA2 -0.223 3.737 3.960 0.001 0.000 0.222 366 G HA3 -0.223 3.737 3.960 0.001 0.000 0.222 366 G C -0.771 174.217 174.900 0.146 0.000 1.203 366 G CA 1.283 46.367 45.100 -0.027 0.000 0.780 366 G HN 0.556 nan 8.290 nan 0.000 0.621 367 P HA 0.159 nan 4.420 nan 0.000 0.261 367 P C -0.171 177.178 177.300 0.083 0.000 1.650 367 P CA -0.135 63.005 63.100 0.066 0.000 0.846 367 P CB -0.595 31.127 31.700 0.035 0.000 1.758 368 N N -1.020 117.781 118.700 0.168 0.000 2.725 368 N HA -0.176 4.565 4.740 0.001 0.000 0.249 368 N C -0.251 175.344 175.510 0.142 0.000 1.103 368 N CA 0.710 53.790 53.050 0.050 0.000 0.707 368 N CB -1.426 36.893 38.487 -0.281 0.000 1.043 368 N HN 0.387 nan 8.380 nan 0.000 0.553 369 I N 0.775 121.393 120.570 0.081 0.000 2.371 369 I HA 0.245 4.416 4.170 0.001 0.000 0.290 369 I C 0.608 176.756 176.117 0.051 0.000 1.028 369 I CA -0.345 60.889 61.300 -0.110 0.000 1.345 369 I CB 1.556 39.275 38.000 -0.468 0.000 1.407 369 I HN -0.157 nan 8.210 nan 0.000 0.501 370 V N 8.580 128.554 119.914 0.100 0.000 2.569 370 V HA 0.536 4.657 4.120 0.001 0.000 0.301 370 V C -1.016 175.213 176.094 0.225 0.000 1.044 370 V CA -0.311 62.047 62.300 0.096 0.000 0.874 370 V CB 1.518 33.413 31.823 0.120 0.000 1.002 370 V HN 0.835 nan 8.190 nan 0.000 0.424 371 W N 5.577 127.005 121.300 0.214 0.000 2.655 371 W HA 0.888 5.548 4.660 0.001 0.000 0.358 371 W C -1.246 175.425 176.519 0.254 0.000 1.100 371 W CA -0.836 56.676 57.345 0.279 0.000 1.195 371 W CB 1.646 31.323 29.460 0.362 0.000 1.403 371 W HN 0.735 nan 8.180 nan 0.000 0.589 372 Q N 0.911 121.116 119.800 0.674 0.000 2.403 372 Q HA 0.539 4.880 4.340 0.001 0.000 0.267 372 Q C -1.941 174.373 176.000 0.523 0.000 0.991 372 Q CA -0.682 55.421 55.803 0.500 0.000 0.906 372 Q CB 2.070 30.957 28.738 0.247 0.000 1.422 372 Q HN 0.463 nan 8.270 nan 0.000 0.400 373 I N 2.210 123.089 120.570 0.516 0.000 2.362 373 I HA 0.429 4.600 4.170 0.001 0.000 0.289 373 I C -0.872 175.493 176.117 0.414 0.000 0.994 373 I CA -0.549 61.023 61.300 0.454 0.000 1.158 373 I CB 1.680 40.024 38.000 0.574 0.000 1.315 373 I HN 0.801 nan 8.210 nan 0.000 0.451 374 D N 9.163 129.732 120.400 0.281 0.000 2.464 374 D HA 0.340 4.980 4.640 0.001 0.000 0.243 374 D C -1.954 174.407 176.300 0.101 0.000 1.104 374 D CA -1.997 52.132 54.000 0.214 0.000 0.883 374 D CB 2.244 43.191 40.800 0.245 0.000 1.050 374 D HN 0.149 nan 8.370 nan 0.000 0.524 375 P HA -0.065 nan 4.420 nan 0.000 0.217 375 P C 1.261 178.541 177.300 -0.033 0.000 1.151 375 P CA 0.883 63.928 63.100 -0.092 0.000 0.828 375 P CB 0.483 32.010 31.700 -0.287 0.000 0.788 376 K N 0.039 120.441 120.400 0.003 0.000 2.148 376 K HA -0.015 4.306 4.320 0.001 0.000 0.204 376 K C 1.840 178.464 176.600 0.040 0.000 1.050 376 K CA 1.252 57.550 56.287 0.018 0.000 0.942 376 K CB -0.489 32.030 32.500 0.030 0.000 0.724 376 K HN -0.041 nan 8.250 nan 0.000 0.446 377 A N 0.030 122.887 122.820 0.062 0.000 2.208 377 A HA 0.205 4.525 4.320 0.001 0.000 0.209 377 A C 1.337 178.951 177.584 0.049 0.000 1.161 377 A CA 0.706 52.777 52.037 0.056 0.000 0.782 377 A CB -0.407 18.628 19.000 0.058 0.000 0.816 377 A HN 0.507 nan 8.150 nan 0.000 0.477 378 G N -1.277 107.546 108.800 0.037 0.000 2.179 378 G HA2 -0.222 3.739 3.960 0.001 0.000 0.257 378 G HA3 -0.222 3.739 3.960 0.001 0.000 0.257 378 G C -0.047 174.839 174.900 -0.024 0.000 1.010 378 G CA 0.773 45.897 45.100 0.040 0.000 0.736 378 G HN 0.506 nan 8.290 nan 0.000 0.513 379 L N -1.051 120.137 121.223 -0.059 0.000 2.327 379 L HA 0.832 5.173 4.340 0.001 0.000 0.258 379 L C 0.413 177.302 176.870 0.032 0.000 1.024 379 L CA -0.838 53.926 54.840 -0.126 0.000 0.825 379 L CB 2.635 44.500 42.059 -0.324 0.000 1.386 379 L HN 0.665 nan 8.230 nan 0.000 0.417 380 C N -0.510 118.831 119.300 0.068 0.000 2.752 380 C HA 0.833 5.293 4.460 0.001 0.000 0.360 380 C C -0.204 174.921 174.990 0.224 0.000 1.081 380 C CA -0.454 58.681 59.018 0.195 0.000 1.272 380 C CB 0.589 28.458 27.740 0.215 0.000 1.754 380 C HN 0.894 nan 8.230 nan 0.000 0.483 381 T N 1.336 116.087 114.554 0.329 0.000 2.908 381 T HA 0.808 5.159 4.350 0.001 0.000 0.290 381 T C -1.070 173.934 174.700 0.508 0.000 1.034 381 T CA -0.619 61.728 62.100 0.410 0.000 1.010 381 T CB 1.764 70.879 68.868 0.413 0.000 1.068 381 T HN 1.781 nan 8.240 nan 0.000 0.481 382 L N 1.801 123.349 121.223 0.541 0.000 2.491 382 L HA 0.793 5.134 4.340 0.001 0.000 0.267 382 L C -0.669 176.418 176.870 0.360 0.000 0.971 382 L CA -0.524 54.607 54.840 0.486 0.000 0.857 382 L CB 1.280 43.617 42.059 0.463 0.000 1.226 382 L HN 1.111 nan 8.230 nan 0.000 0.408 383 A N 4.334 127.337 122.820 0.305 0.000 2.290 383 A HA 0.719 5.040 4.320 0.001 0.000 0.310 383 A C -1.320 176.351 177.584 0.145 0.000 1.202 383 A CA -0.218 51.879 52.037 0.099 0.000 0.837 383 A CB 0.324 19.457 19.000 0.222 0.000 1.139 383 A HN 0.616 nan 8.150 nan 0.000 0.509 384 F N 2.798 122.654 119.950 -0.157 0.000 2.496 384 F HA 0.685 5.213 4.527 0.001 0.000 0.341 384 F C -1.135 174.502 175.800 -0.272 0.000 1.134 384 F CA -0.867 57.073 58.000 -0.099 0.000 0.968 384 F CB 0.993 39.946 39.000 -0.077 0.000 1.205 384 F HN 0.525 nan 8.300 nan 0.000 0.436 385 F N 2.544 122.551 119.950 0.095 0.000 2.639 385 F HA 0.523 5.051 4.527 0.001 0.000 0.339 385 F C 0.270 176.137 175.800 0.110 0.000 1.071 385 F CA -0.657 57.418 58.000 0.125 0.000 0.994 385 F CB 1.487 40.508 39.000 0.035 0.000 1.341 385 F HN 0.145 nan 8.300 nan 0.000 0.498 386 Q N 2.098 122.099 119.800 0.336 0.000 2.333 386 Q HA 0.297 4.638 4.340 0.001 0.000 0.365 386 Q C -1.584 174.509 176.000 0.154 0.000 0.882 386 Q CA -0.216 55.716 55.803 0.216 0.000 1.124 386 Q CB 1.519 30.388 28.738 0.219 0.000 1.345 386 Q HN 0.479 nan 8.270 nan 0.000 0.409 387 L N -0.101 121.192 121.223 0.117 0.000 2.385 387 L HA 0.542 4.883 4.340 0.001 0.000 0.273 387 L C -0.701 176.143 176.870 -0.043 0.000 0.990 387 L CA -0.102 54.752 54.840 0.022 0.000 0.821 387 L CB 1.647 43.692 42.059 -0.022 0.000 1.279 387 L HN -0.083 nan 8.230 nan 0.000 0.412 388 E N 5.529 125.680 120.200 -0.082 0.000 2.212 388 E HA 0.552 4.902 4.350 0.001 0.000 0.270 388 E C -2.623 173.714 176.600 -0.438 0.000 0.956 388 E CA -1.722 54.596 56.400 -0.136 0.000 0.825 388 E CB 1.898 31.609 29.700 0.018 0.000 1.167 388 E HN 0.460 nan 8.360 nan 0.000 0.400 389 P HA 0.074 nan 4.420 nan 0.000 0.281 389 P C 0.052 177.314 177.300 -0.062 0.000 1.281 389 P CA -0.666 62.365 63.100 -0.115 0.000 0.811 389 P CB 0.945 32.609 31.700 -0.061 0.000 1.154 390 W N 1.840 123.050 121.300 -0.149 0.000 2.345 390 W HA -0.116 4.545 4.660 0.002 0.000 0.346 390 W C 0.286 176.698 176.519 -0.178 0.000 1.243 390 W CA 0.981 58.225 57.345 -0.169 0.000 1.327 390 W CB -0.531 28.830 29.460 -0.165 0.000 1.187 390 W HN 0.662 nan 8.180 nan 0.000 0.588 391 N N 2.862 120.716 118.700 -1.409 0.000 2.708 391 N HA -0.246 4.495 4.740 0.001 0.000 0.255 391 N C -1.069 174.100 175.510 -0.569 0.000 1.046 391 N CA 1.207 53.604 53.050 -1.088 0.000 0.715 391 N CB -1.076 36.914 38.487 -0.829 0.000 0.895 391 N HN 0.441 nan 8.380 nan 0.000 0.545 392 D N 0.139 120.220 120.400 -0.531 0.000 2.256 392 D HA 0.269 4.909 4.640 0.001 0.000 0.250 392 D C -1.341 174.745 176.300 -0.357 0.000 1.093 392 D CA -1.992 51.776 54.000 -0.387 0.000 0.882 392 D CB 1.293 41.857 40.800 -0.392 0.000 1.185 392 D HN 0.129 nan 8.370 nan 0.000 0.437 393 P HA -0.170 nan 4.420 nan 0.000 0.215 393 P C 1.568 178.725 177.300 -0.239 0.000 1.157 393 P CA 1.378 64.341 63.100 -0.227 0.000 0.874 393 P CB 0.061 31.655 31.700 -0.176 0.000 0.790 394 V N -3.079 116.684 119.914 -0.252 0.000 2.379 394 V HA -0.217 3.904 4.120 0.001 0.000 0.245 394 V C 2.150 178.042 176.094 -0.336 0.000 1.044 394 V CA 1.905 64.050 62.300 -0.259 0.000 1.036 394 V CB -1.880 29.805 31.823 -0.230 0.000 0.664 394 V HN 0.103 nan 8.190 nan 0.000 0.453 395 C N 0.186 119.210 119.300 -0.460 0.000 2.453 395 C HA -0.036 4.425 4.460 0.001 0.000 0.277 395 C C 2.943 177.691 174.990 -0.403 0.000 1.262 395 C CA 1.582 60.189 59.018 -0.685 0.000 1.718 395 C CB -1.285 25.834 27.740 -1.035 0.000 2.031 395 C HN 0.663 nan 8.230 nan 0.000 0.480 396 R N 1.030 121.319 120.500 -0.351 0.000 2.081 396 R HA -0.182 4.158 4.340 0.001 0.000 0.235 396 R C 1.807 178.025 176.300 -0.137 0.000 1.131 396 R CA 2.298 58.258 56.100 -0.233 0.000 0.960 396 R CB -0.526 29.617 30.300 -0.260 0.000 0.856 396 R HN 0.548 nan 8.270 nan 0.000 0.436 397 D N -0.397 119.900 120.400 -0.172 0.000 2.117 397 D HA -0.140 4.500 4.640 0.001 0.000 0.197 397 D C 1.709 177.934 176.300 -0.126 0.000 0.987 397 D CA 0.922 54.834 54.000 -0.148 0.000 0.829 397 D CB 0.120 40.818 40.800 -0.170 0.000 0.961 397 D HN 0.130 nan 8.370 nan 0.000 0.460 398 L N 0.125 121.245 121.223 -0.171 0.000 2.072 398 L HA -0.033 4.307 4.340 0.001 0.000 0.205 398 L C 2.542 179.506 176.870 0.157 0.000 1.079 398 L CA 1.400 56.113 54.840 -0.212 0.000 0.752 398 L CB -1.079 40.591 42.059 -0.649 0.000 0.906 398 L HN 0.070 nan 8.230 nan 0.000 0.436 399 T N -1.013 113.672 114.554 0.219 0.000 2.708 399 T HA -0.174 4.177 4.350 0.001 0.000 0.266 399 T C 2.078 177.002 174.700 0.373 0.000 1.037 399 T CA 0.932 63.282 62.100 0.418 0.000 1.146 399 T CB -0.141 68.917 68.868 0.317 0.000 0.865 399 T HN 0.167 nan 8.240 nan 0.000 0.435 400 R N 0.929 121.539 120.500 0.184 0.000 2.136 400 R HA -0.156 4.184 4.340 0.001 0.000 0.242 400 R C 2.877 179.216 176.300 0.065 0.000 1.131 400 R CA 2.232 58.383 56.100 0.085 0.000 0.937 400 R CB -1.326 28.942 30.300 -0.055 0.000 0.863 400 R HN 0.630 nan 8.270 nan 0.000 0.435 401 T N -1.801 112.773 114.554 0.033 0.000 3.055 401 T HA -0.076 4.275 4.350 0.001 0.000 0.265 401 T C 1.677 176.498 174.700 0.203 0.000 1.111 401 T CA 0.589 62.693 62.100 0.008 0.000 1.118 401 T CB -0.319 68.527 68.868 -0.037 0.000 0.909 401 T HN 0.218 nan 8.240 nan 0.000 0.501 402 F N 2.772 122.852 119.950 0.217 0.000 2.060 402 F HA 0.058 4.585 4.527 0.001 0.000 0.295 402 F C 2.199 178.108 175.800 0.180 0.000 1.120 402 F CA 1.420 59.579 58.000 0.266 0.000 1.205 402 F CB -0.477 38.757 39.000 0.390 0.000 0.986 402 F HN 0.140 nan 8.300 nan 0.000 0.470 403 E N -0.596 119.532 120.200 -0.119 0.000 2.031 403 E HA -0.271 4.080 4.350 0.001 0.000 0.193 403 E C 2.048 178.526 176.600 -0.203 0.000 0.994 403 E CA 1.803 58.075 56.400 -0.213 0.000 0.800 403 E CB -0.689 29.112 29.700 0.169 0.000 0.752 403 E HN 0.571 nan 8.360 nan 0.000 0.447 404 H N 0.569 119.376 119.070 -0.439 0.000 2.362 404 H HA -0.210 4.347 4.556 0.001 0.000 0.294 404 H C 1.998 177.234 175.328 -0.153 0.000 1.113 404 H CA 2.058 57.858 56.048 -0.413 0.000 1.253 404 H CB -0.221 29.280 29.762 -0.435 0.000 1.363 404 H HN 0.257 nan 8.280 nan 0.000 0.494 405 A N 0.421 123.241 122.820 -0.000 0.000 1.840 405 A HA -0.093 4.228 4.320 0.001 0.000 0.214 405 A C 2.227 179.774 177.584 -0.060 0.000 1.198 405 A CA 1.672 53.702 52.037 -0.011 0.000 0.608 405 A CB -0.589 18.419 19.000 0.014 0.000 0.839 405 A HN 0.414 nan 8.150 nan 0.000 0.443 406 I N -3.036 117.425 120.570 -0.181 0.000 2.454 406 I HA -0.147 4.024 4.170 0.001 0.000 0.254 406 I C 2.117 178.204 176.117 -0.050 0.000 1.156 406 I CA 1.012 62.177 61.300 -0.224 0.000 1.433 406 I CB -1.407 36.326 38.000 -0.446 0.000 1.082 406 I HN 0.275 nan 8.210 nan 0.000 0.432 407 Y N 1.562 121.794 120.300 -0.114 0.000 2.181 407 Y HA -0.084 4.467 4.550 0.001 0.000 0.288 407 Y C 2.731 178.650 175.900 0.031 0.000 1.146 407 Y CA 1.709 59.811 58.100 0.003 0.000 1.164 407 Y CB -0.661 37.816 38.460 0.028 0.000 0.982 407 Y HN 0.241 nan 8.280 nan 0.000 0.515 408 A N -0.512 122.393 122.820 0.142 0.000 1.854 408 A HA -0.193 4.128 4.320 0.001 0.000 0.214 408 A C 2.226 179.842 177.584 0.052 0.000 1.192 408 A CA 1.471 53.560 52.037 0.086 0.000 0.611 408 A CB -0.831 18.203 19.000 0.058 0.000 0.832 408 A HN 0.428 nan 8.150 nan 0.000 0.442 409 Q N -1.070 118.752 119.800 0.036 0.000 1.998 409 Q HA -0.275 4.066 4.340 0.001 0.000 0.209 409 Q C 2.028 178.060 176.000 0.054 0.000 1.002 409 Q CA 2.698 58.518 55.803 0.029 0.000 0.858 409 Q CB -0.549 28.190 28.738 0.001 0.000 0.932 409 Q HN 0.745 nan 8.270 nan 0.000 0.416 410 Y N 1.349 121.607 120.300 -0.070 0.000 2.109 410 Y HA -0.218 4.333 4.550 0.001 0.000 0.285 410 Y C 2.599 178.463 175.900 -0.061 0.000 1.131 410 Y CA 2.525 60.582 58.100 -0.071 0.000 1.121 410 Y CB -0.503 37.892 38.460 -0.107 0.000 0.987 410 Y HN 0.348 nan 8.280 nan 0.000 0.495 411 Q N -0.085 119.671 119.800 -0.073 0.000 2.297 411 Q HA -0.138 4.203 4.340 0.001 0.000 0.204 411 Q C 0.501 176.425 176.000 -0.127 0.000 0.962 411 Q CA 1.427 57.116 55.803 -0.190 0.000 0.879 411 Q CB -0.136 28.595 28.738 -0.011 0.000 0.947 411 Q HN 0.621 nan 8.270 nan 0.000 0.462 412 Q N 1.014 120.778 119.800 -0.060 0.000 2.233 412 Q HA 0.321 4.662 4.340 0.001 0.000 0.340 412 Q C 0.001 175.978 176.000 -0.039 0.000 0.899 412 Q CA -0.284 55.498 55.803 -0.035 0.000 1.139 412 Q CB 1.419 30.160 28.738 0.007 0.000 1.273 412 Q HN 0.408 nan 8.270 nan 0.000 0.431 413 G N 0.000 108.758 108.800 -0.070 0.000 5.446 413 G HA2 0.000 3.961 3.960 0.001 0.000 0.244 413 G HA3 0.000 3.961 3.960 0.001 0.000 0.244 413 G CA 0.000 45.070 45.100 -0.051 0.000 0.502 413 G HN 0.000 nan 8.290 nan 0.000 0.925