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 3p3y_1_A DATA FIRST_RESID 37 DATA SEQUENCE LTQPPTITKQ SAKDHIVDPR DNILIEcEAK GNPAPSFHWT RNSRFFNIAK DATA SEQUENCE DPRVSMRRRS GTLVIDFRSG GRPEEYEGEY QcFARNKFGT ALSNRIRLQV DATA SEQUENCE SKSPLWPKEN LDPVVVQEGA PLTLQcNPPP GLPSPVIFWM SSSMEPITQD DATA SEQUENCE KRVSQGHNGD LYFSNVMLQD MQTDYScNAR FHFTHTIQQK NPFTLKVLTT DATA SEQUENCE RGVAERTPSF MYPQGTASSQ MVLRGMDLLL EcIASGVPTP DIAWYKKGGD DATA SEQUENCE LPSDKAKFEN FNKALRITNV SEEDSGEYFc LASNKMGSIR HTISVRVKAA DATA SEQUENCE PYWLDEPKNL ILAPGEDGRL VcRANGNPKP TVQWMVNGEP LQSAPPNPNR DATA SEQUENCE EVAGDTIIFR DTQISSRAVY QcNTSNEHGY LLANAFVSVL 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 37 L HA 0.000 nan 4.340 nan 0.000 0.249 37 L C 0.000 176.889 176.870 0.031 0.000 1.165 37 L CA 0.000 54.853 54.840 0.022 0.000 0.813 37 L CB 0.000 42.072 42.059 0.021 0.000 0.961 38 T N 2.783 117.351 114.554 0.023 0.000 3.826 38 T HA 0.252 4.602 4.350 -0.000 0.000 0.239 38 T C -0.477 174.164 174.700 -0.099 0.000 1.007 38 T CA -0.033 62.086 62.100 0.032 0.000 1.171 38 T CB -1.010 67.848 68.868 -0.016 0.000 1.153 38 T HN 0.384 nan 8.240 nan 0.000 0.854 39 Q N 3.489 123.265 119.800 -0.039 0.000 2.337 39 Q HA 0.605 4.945 4.340 -0.000 0.000 0.270 39 Q C -3.061 172.834 176.000 -0.175 0.000 1.043 39 Q CA -2.617 53.028 55.803 -0.263 0.000 0.794 39 Q CB 1.857 30.475 28.738 -0.201 0.000 1.281 39 Q HN 0.189 nan 8.270 nan 0.000 0.446 40 P HA 0.095 nan 4.420 nan 0.000 0.272 40 P C -2.479 174.747 177.300 -0.122 0.000 1.248 40 P CA -0.809 62.214 63.100 -0.128 0.000 0.799 40 P CB -0.409 31.104 31.700 -0.312 0.000 0.997 41 P HA 0.145 nan 4.420 nan 0.000 0.268 41 P C -0.816 176.532 177.300 0.080 0.000 1.205 41 P CA 0.587 63.687 63.100 -0.000 0.000 0.771 41 P CB 0.292 31.962 31.700 -0.050 0.000 0.858 42 T N 3.106 117.714 114.554 0.090 0.000 3.109 42 T HA 0.363 4.713 4.350 -0.000 0.000 0.311 42 T C 0.130 174.887 174.700 0.095 0.000 1.011 42 T CA -0.449 61.726 62.100 0.126 0.000 1.026 42 T CB 0.368 69.342 68.868 0.177 0.000 1.047 42 T HN 0.195 nan 8.240 nan 0.000 0.448 43 I N 2.744 123.361 120.570 0.079 0.000 2.668 43 I HA 0.001 4.171 4.170 -0.000 0.000 0.285 43 I C 1.519 177.679 176.117 0.073 0.000 1.168 43 I CA 0.676 62.022 61.300 0.076 0.000 1.424 43 I CB 0.889 38.916 38.000 0.046 0.000 1.377 43 I HN 0.730 nan 8.210 nan 0.000 0.560 44 T N 5.189 119.791 114.554 0.080 0.000 3.021 44 T HA 0.076 4.426 4.350 -0.000 0.000 0.245 44 T C 0.589 175.319 174.700 0.050 0.000 1.028 44 T CA 0.569 62.709 62.100 0.065 0.000 1.139 44 T CB 0.213 69.124 68.868 0.071 0.000 0.884 44 T HN 0.487 nan 8.240 nan 0.000 0.457 45 K N 0.996 121.425 120.400 0.049 0.000 2.536 45 K HA 0.423 4.743 4.320 -0.000 0.000 0.269 45 K C -1.980 174.640 176.600 0.033 0.000 0.965 45 K CA -0.715 55.593 56.287 0.034 0.000 0.860 45 K CB 1.951 34.466 32.500 0.025 0.000 1.423 45 K HN 0.267 nan 8.250 nan 0.000 0.438 46 Q N 0.314 120.126 119.800 0.020 0.000 2.594 46 Q HA 0.324 4.664 4.340 -0.000 0.000 0.278 46 Q C -1.354 174.626 176.000 -0.032 0.000 0.961 46 Q CA -0.983 54.828 55.803 0.013 0.000 0.844 46 Q CB 1.320 30.074 28.738 0.026 0.000 1.475 46 Q HN 0.390 nan 8.270 nan 0.000 0.389 47 S N 0.715 116.348 115.700 -0.112 0.000 2.566 47 S HA 0.407 4.876 4.470 -0.000 0.000 0.280 47 S C 0.184 174.703 174.600 -0.134 0.000 1.343 47 S CA 0.205 58.204 58.200 -0.334 0.000 1.036 47 S CB 0.534 63.236 63.200 -0.830 0.000 0.866 47 S HN 0.668 nan 8.310 nan 0.000 0.526 48 A N 2.061 124.883 122.820 0.004 0.000 2.483 48 A HA 0.176 4.496 4.320 -0.000 0.000 0.238 48 A C 1.356 178.997 177.584 0.096 0.000 1.070 48 A CA -0.108 51.988 52.037 0.099 0.000 0.770 48 A CB -0.027 19.075 19.000 0.171 0.000 1.008 48 A HN 0.929 nan 8.150 nan 0.000 0.497 49 K N 0.222 120.665 120.400 0.071 0.000 2.089 49 K HA -0.196 4.124 4.320 -0.000 0.000 0.210 49 K C 0.110 176.779 176.600 0.115 0.000 1.048 49 K CA 2.226 58.562 56.287 0.081 0.000 0.926 49 K CB -0.021 32.488 32.500 0.015 0.000 0.714 49 K HN 0.795 nan 8.250 nan 0.000 0.448 50 D N -0.225 120.239 120.400 0.106 0.000 2.485 50 D HA 0.037 4.677 4.640 -0.000 0.000 0.256 50 D C -1.406 174.974 176.300 0.134 0.000 1.141 50 D CA -0.263 53.803 54.000 0.110 0.000 0.942 50 D CB 0.047 40.892 40.800 0.074 0.000 1.003 50 D HN 0.182 nan 8.370 nan 0.000 0.507 51 H N 4.185 123.274 119.070 0.031 0.000 2.969 51 H HA 0.257 4.813 4.556 -0.000 0.000 0.269 51 H C -0.337 174.989 175.328 -0.004 0.000 1.223 51 H CA -0.725 55.322 56.048 -0.000 0.000 1.400 51 H CB 0.261 30.017 29.762 -0.010 0.000 1.500 51 H HN 0.363 nan 8.280 nan 0.000 0.486 52 I N 3.449 123.908 120.570 -0.186 0.000 2.392 52 I HA 0.391 4.561 4.170 -0.000 0.000 0.295 52 I C -0.358 175.613 176.117 -0.242 0.000 0.985 52 I CA -0.835 60.385 61.300 -0.134 0.000 1.221 52 I CB 1.377 39.361 38.000 -0.026 0.000 1.366 52 I HN 0.111 nan 8.210 nan 0.000 0.467 53 V N 1.549 121.372 119.914 -0.151 0.000 2.971 53 V HA 0.689 4.809 4.120 -0.000 0.000 0.309 53 V C -1.224 174.814 176.094 -0.093 0.000 1.130 53 V CA -0.803 61.406 62.300 -0.153 0.000 0.964 53 V CB 1.741 33.481 31.823 -0.139 0.000 1.029 53 V HN 0.883 nan 8.190 nan 0.000 0.427 54 D N 2.234 122.581 120.400 -0.087 0.000 2.255 54 D HA 0.426 5.066 4.640 -0.000 0.000 0.249 54 D C -2.177 174.059 176.300 -0.107 0.000 1.078 54 D CA -2.508 51.445 54.000 -0.077 0.000 0.896 54 D CB 1.214 41.987 40.800 -0.046 0.000 1.194 54 D HN 0.349 nan 8.370 nan 0.000 0.429 55 P HA -0.071 nan 4.420 nan 0.000 0.234 55 P C 1.003 178.206 177.300 -0.160 0.000 1.162 55 P CA 0.538 63.507 63.100 -0.219 0.000 0.759 55 P CB 0.181 31.739 31.700 -0.236 0.000 0.813 56 R N 0.544 120.989 120.500 -0.092 0.000 1.730 56 R HA -0.028 4.311 4.340 -0.000 0.000 0.133 56 R C 0.459 176.746 176.300 -0.023 0.000 0.773 56 R CA 0.554 56.624 56.100 -0.050 0.000 1.633 56 R CB -0.793 29.489 30.300 -0.029 0.000 0.594 56 R HN -0.029 nan 8.270 nan 0.000 0.666 57 D N 1.308 121.702 120.400 -0.009 0.000 2.417 57 D HA -0.022 4.618 4.640 -0.000 0.000 0.250 57 D C -0.758 175.562 176.300 0.033 0.000 1.166 57 D CA 0.171 54.178 54.000 0.012 0.000 0.881 57 D CB 0.193 40.995 40.800 0.003 0.000 1.164 57 D HN 0.189 nan 8.370 nan 0.000 0.467 58 N N 3.022 121.770 118.700 0.079 0.000 2.292 58 N HA -0.067 4.673 4.740 -0.000 0.000 0.242 58 N C 0.202 175.771 175.510 0.098 0.000 1.243 58 N CA -0.008 53.134 53.050 0.154 0.000 0.851 58 N CB 0.328 38.899 38.487 0.140 0.000 1.093 58 N HN 0.377 nan 8.380 nan 0.000 0.450 59 I N 1.147 121.806 120.570 0.148 0.000 2.932 59 I HA -0.110 4.060 4.170 -0.000 0.000 0.295 59 I C 0.779 176.907 176.117 0.018 0.000 1.227 59 I CA 0.534 61.882 61.300 0.080 0.000 1.429 59 I CB -0.100 37.966 38.000 0.111 0.000 1.339 59 I HN 0.373 nan 8.210 nan 0.000 0.589 60 L N 6.970 128.207 121.223 0.023 0.000 2.480 60 L HA 0.415 4.754 4.340 -0.000 0.000 0.253 60 L C -0.768 176.060 176.870 -0.070 0.000 1.324 60 L CA -0.117 54.710 54.840 -0.021 0.000 0.916 60 L CB 0.187 42.250 42.059 0.006 0.000 1.160 60 L HN 0.302 nan 8.230 nan 0.000 0.503 61 I N 2.108 122.551 120.570 -0.211 0.000 2.471 61 I HA 0.079 4.249 4.170 -0.000 0.000 0.294 61 I C 0.677 176.676 176.117 -0.197 0.000 1.123 61 I CA 0.326 61.421 61.300 -0.341 0.000 1.336 61 I CB -0.446 37.148 38.000 -0.678 0.000 1.430 61 I HN 0.577 nan 8.210 nan 0.000 0.533 62 E N 4.648 124.772 120.200 -0.126 0.000 2.343 62 E HA 0.416 4.766 4.350 -0.000 0.000 0.269 62 E C -0.651 176.023 176.600 0.123 0.000 1.047 62 E CA -0.311 56.080 56.400 -0.014 0.000 0.874 62 E CB 1.848 31.520 29.700 -0.047 0.000 1.033 62 E HN 0.647 nan 8.360 nan 0.000 0.409 63 c N 2.980 121.649 118.600 0.114 0.000 3.018 63 c HA 0.255 4.825 4.570 -0.000 0.000 0.413 63 c C -1.414 172.655 174.090 -0.035 0.000 1.015 63 c CA -0.343 56.047 56.329 0.102 0.000 1.233 63 c CB -0.003 42.624 42.510 0.196 0.000 1.630 63 c HN 0.859 nan 8.230 nan 0.000 0.532 64 E N 2.798 123.019 120.200 0.035 0.000 2.369 64 E HA 0.870 5.219 4.350 -0.000 0.000 0.270 64 E C -0.698 176.024 176.600 0.204 0.000 0.909 64 E CA -0.622 55.814 56.400 0.060 0.000 0.775 64 E CB 2.293 32.011 29.700 0.030 0.000 1.270 64 E HN 0.995 nan 8.360 nan 0.000 0.445 65 A N 1.445 124.441 122.820 0.293 0.000 2.612 65 A HA 0.537 4.857 4.320 -0.000 0.000 0.293 65 A C -1.052 176.632 177.584 0.167 0.000 1.075 65 A CA -0.791 51.381 52.037 0.225 0.000 0.680 65 A CB 1.336 20.469 19.000 0.222 0.000 1.279 65 A HN 0.468 nan 8.150 nan 0.000 0.411 66 K N -0.211 120.253 120.400 0.105 0.000 2.761 66 K HA 0.779 5.099 4.320 -0.000 0.000 0.286 66 K C 0.257 176.883 176.600 0.043 0.000 1.019 66 K CA 0.129 56.462 56.287 0.076 0.000 1.070 66 K CB 0.734 33.276 32.500 0.070 0.000 1.387 66 K HN 1.830 nan 8.250 nan 0.000 0.509 67 G N -0.024 108.790 108.800 0.025 0.000 2.326 67 G HA2 -0.138 3.822 3.960 -0.000 0.000 0.478 67 G HA3 -0.138 3.822 3.960 -0.000 0.000 0.478 67 G C -0.351 174.549 174.900 0.000 0.000 1.551 67 G CA -0.451 44.647 45.100 -0.004 0.000 0.946 67 G HN 0.696 nan 8.290 nan 0.000 0.671 68 N N 0.250 118.960 118.700 0.017 0.000 2.028 68 N HA -0.017 4.723 4.740 -0.000 0.000 0.194 68 N C -1.275 174.217 175.510 -0.031 0.000 1.050 68 N CA 1.120 54.185 53.050 0.025 0.000 0.848 68 N CB -0.215 38.341 38.487 0.114 0.000 1.038 68 N HN 0.409 nan 8.380 nan 0.000 0.423 69 P HA 0.207 nan 4.420 nan 0.000 0.284 69 P C -1.486 175.764 177.300 -0.084 0.000 1.253 69 P CA -0.222 62.811 63.100 -0.111 0.000 0.800 69 P CB 1.551 33.132 31.700 -0.198 0.000 0.961 70 A N 5.280 128.077 122.820 -0.040 0.000 2.545 70 A HA 0.261 4.581 4.320 -0.000 0.000 0.253 70 A C -1.648 175.909 177.584 -0.046 0.000 1.074 70 A CA -0.608 51.427 52.037 -0.003 0.000 0.760 70 A CB -1.172 17.850 19.000 0.037 0.000 1.005 70 A HN 0.418 nan 8.150 nan 0.000 0.506 71 P HA 0.206 nan 4.420 nan 0.000 0.272 71 P C -0.153 176.938 177.300 -0.348 0.000 1.223 71 P CA -0.126 62.807 63.100 -0.278 0.000 0.784 71 P CB 0.998 32.443 31.700 -0.425 0.000 0.923 72 S N 1.236 116.738 115.700 -0.331 0.000 2.565 72 S HA 0.705 5.175 4.470 -0.000 0.000 0.290 72 S C -0.684 173.729 174.600 -0.312 0.000 1.150 72 S CA -0.573 57.540 58.200 -0.145 0.000 1.058 72 S CB 0.414 63.612 63.200 -0.004 0.000 1.032 72 S HN 0.251 nan 8.310 nan 0.000 0.510 73 F N 1.880 121.913 119.950 0.137 0.000 2.546 73 F HA 0.598 5.125 4.527 -0.000 0.000 0.320 73 F C 0.681 176.640 175.800 0.266 0.000 1.076 73 F CA -0.553 57.527 58.000 0.134 0.000 0.928 73 F CB 1.933 41.019 39.000 0.142 0.000 1.189 73 F HN 0.859 nan 8.300 nan 0.000 0.465 74 H N -1.064 118.206 119.070 0.333 0.000 3.008 74 H HA 0.497 5.052 4.556 -0.000 0.000 0.354 74 H C -2.200 173.296 175.328 0.281 0.000 1.252 74 H CA -1.282 55.000 56.048 0.389 0.000 1.117 74 H CB 1.492 31.476 29.762 0.370 0.000 1.857 74 H HN 0.693 nan 8.280 nan 0.000 0.547 75 W N 0.715 122.268 121.300 0.421 0.000 2.962 75 W HA 0.475 5.135 4.660 -0.000 0.000 0.341 75 W C -0.456 176.264 176.519 0.335 0.000 1.155 75 W CA -0.532 57.043 57.345 0.384 0.000 1.165 75 W CB 2.263 31.967 29.460 0.406 0.000 1.435 75 W HN 0.810 nan 8.180 nan 0.000 0.546 76 T N -0.273 114.613 114.554 0.552 0.000 2.885 76 T HA 0.689 5.039 4.350 -0.000 0.000 0.285 76 T C -0.876 173.892 174.700 0.115 0.000 1.019 76 T CA -1.053 61.241 62.100 0.324 0.000 1.010 76 T CB 2.104 71.141 68.868 0.282 0.000 1.022 76 T HN 0.492 nan 8.240 nan 0.000 0.466 77 R N 1.964 122.400 120.500 -0.106 0.000 2.409 77 R HA 0.354 4.693 4.340 -0.000 0.000 0.313 77 R C -0.523 175.623 176.300 -0.257 0.000 0.953 77 R CA -0.451 55.342 56.100 -0.511 0.000 0.849 77 R CB 0.304 30.047 30.300 -0.927 0.000 1.171 77 R HN 1.007 nan 8.270 nan 0.000 0.458 78 N N 2.428 120.990 118.700 -0.231 0.000 2.705 78 N HA -0.241 4.498 4.740 -0.000 0.000 0.255 78 N C -0.463 175.025 175.510 -0.037 0.000 1.008 78 N CA 1.111 54.094 53.050 -0.111 0.000 0.742 78 N CB -0.707 37.712 38.487 -0.113 0.000 0.906 78 N HN 0.816 nan 8.380 nan 0.000 0.541 79 S N -2.625 113.077 115.700 0.005 0.000 2.981 79 S HA -0.275 4.195 4.470 -0.000 0.000 0.274 79 S C 0.368 175.008 174.600 0.067 0.000 1.297 79 S CA 1.385 59.615 58.200 0.050 0.000 1.266 79 S CB -0.451 62.769 63.200 0.032 0.000 1.542 79 S HN 0.620 nan 8.310 nan 0.000 0.674 80 R N -0.412 120.126 120.500 0.064 0.000 2.778 80 R HA 0.538 4.877 4.340 -0.000 0.000 0.277 80 R C -0.295 176.106 176.300 0.168 0.000 0.977 80 R CA -0.779 55.383 56.100 0.102 0.000 0.950 80 R CB 0.730 31.076 30.300 0.076 0.000 1.165 80 R HN 0.167 nan 8.270 nan 0.000 0.474 81 F N 3.105 123.089 119.950 0.057 0.000 2.593 81 F HA -0.017 4.510 4.527 -0.000 0.000 0.393 81 F C -0.535 175.377 175.800 0.186 0.000 1.037 81 F CA 0.016 58.072 58.000 0.094 0.000 1.195 81 F CB 0.060 39.066 39.000 0.012 0.000 1.034 81 F HN 0.402 nan 8.300 nan 0.000 0.552 82 F N 7.806 127.408 119.950 -0.580 0.000 2.405 82 F HA 0.233 4.760 4.527 -0.000 0.000 0.358 82 F C 0.413 175.704 175.800 -0.848 0.000 1.151 82 F CA -0.876 56.823 58.000 -0.503 0.000 1.161 82 F CB -0.149 38.748 39.000 -0.171 0.000 1.245 82 F HN 0.421 nan 8.300 nan 0.000 0.545 83 N N 7.372 125.521 118.700 -0.918 0.000 2.402 83 N HA 0.029 4.768 4.740 -0.000 0.000 0.259 83 N C 1.128 176.219 175.510 -0.699 0.000 1.167 83 N CA -0.012 52.618 53.050 -0.700 0.000 0.949 83 N CB 0.417 38.742 38.487 -0.269 0.000 1.212 83 N HN 0.599 nan 8.380 nan 0.000 0.493 84 I N 2.184 122.417 120.570 -0.562 0.000 2.113 84 I HA -0.229 3.940 4.170 -0.000 0.000 0.238 84 I C 2.244 178.208 176.117 -0.256 0.000 1.070 84 I CA 0.873 61.912 61.300 -0.435 0.000 1.332 84 I CB -1.643 36.235 38.000 -0.204 0.000 1.044 84 I HN 0.488 nan 8.210 nan 0.000 0.402 85 A N 0.371 123.107 122.820 -0.141 0.000 2.067 85 A HA -0.271 4.048 4.320 -0.000 0.000 0.224 85 A C 2.262 179.799 177.584 -0.079 0.000 1.172 85 A CA 2.069 54.057 52.037 -0.082 0.000 0.662 85 A CB -0.648 18.336 19.000 -0.025 0.000 0.814 85 A HN 0.461 nan 8.150 nan 0.000 0.468 86 K N -1.097 119.240 120.400 -0.105 0.000 2.358 86 K HA 0.056 4.375 4.320 -0.000 0.000 0.197 86 K C -0.392 176.161 176.600 -0.080 0.000 1.025 86 K CA -0.006 56.236 56.287 -0.073 0.000 1.104 86 K CB 0.379 32.837 32.500 -0.069 0.000 0.855 86 K HN 0.369 nan 8.250 nan 0.000 0.531 87 D N 0.717 121.042 120.400 -0.125 0.000 2.303 87 D HA 0.122 4.762 4.640 -0.000 0.000 0.236 87 D C -2.063 174.198 176.300 -0.065 0.000 1.068 87 D CA -2.126 51.821 54.000 -0.089 0.000 0.830 87 D CB 1.954 42.655 40.800 -0.165 0.000 1.109 87 D HN -0.123 nan 8.370 nan 0.000 0.496 88 P HA 0.040 nan 4.420 nan 0.000 0.224 88 P C 1.213 178.474 177.300 -0.064 0.000 1.157 88 P CA 0.422 63.495 63.100 -0.044 0.000 0.799 88 P CB 0.547 32.227 31.700 -0.033 0.000 0.809 89 R N -0.184 120.275 120.500 -0.068 0.000 2.073 89 R HA 0.074 4.414 4.340 -0.000 0.000 0.229 89 R C 0.794 177.024 176.300 -0.117 0.000 1.120 89 R CA 0.779 56.792 56.100 -0.146 0.000 0.967 89 R CB -1.230 28.923 30.300 -0.244 0.000 0.862 89 R HN 0.157 nan 8.270 nan 0.000 0.436 90 V N 1.726 121.609 119.914 -0.051 0.000 2.743 90 V HA 0.340 4.460 4.120 -0.000 0.000 0.301 90 V C 0.390 176.440 176.094 -0.074 0.000 1.057 90 V CA -0.651 61.618 62.300 -0.052 0.000 1.006 90 V CB 1.572 33.398 31.823 0.005 0.000 1.024 90 V HN 0.399 nan 8.190 nan 0.000 0.473 91 S N 3.305 118.963 115.700 -0.071 0.000 2.547 91 S HA 0.712 5.181 4.470 -0.000 0.000 0.270 91 S C -0.899 173.674 174.600 -0.046 0.000 1.150 91 S CA -0.820 57.348 58.200 -0.053 0.000 0.850 91 S CB 1.688 64.861 63.200 -0.046 0.000 1.118 91 S HN 0.626 nan 8.310 nan 0.000 0.461 92 M N 1.119 120.711 119.600 -0.014 0.000 2.154 92 M HA 0.604 5.084 4.480 -0.000 0.000 0.251 92 M C 0.179 176.471 176.300 -0.013 0.000 1.200 92 M CA -0.562 54.739 55.300 0.002 0.000 0.967 92 M CB 1.105 33.743 32.600 0.064 0.000 1.362 92 M HN 0.909 nan 8.290 nan 0.000 0.522 93 R N -0.771 119.714 120.500 -0.025 0.000 2.943 93 R HA 0.472 4.812 4.340 -0.000 0.000 0.246 93 R C -1.220 175.073 176.300 -0.012 0.000 1.201 93 R CA -0.627 55.455 56.100 -0.031 0.000 1.056 93 R CB 1.117 31.380 30.300 -0.062 0.000 1.243 93 R HN 0.452 nan 8.270 nan 0.000 0.498 94 R N 1.561 122.055 120.500 -0.009 0.000 2.446 94 R HA 0.095 4.435 4.340 -0.000 0.000 0.325 94 R C -0.159 176.151 176.300 0.016 0.000 0.997 94 R CA 0.387 56.492 56.100 0.008 0.000 1.010 94 R CB -0.120 30.184 30.300 0.006 0.000 0.946 94 R HN 0.563 nan 8.270 nan 0.000 0.422 95 R N -0.474 120.053 120.500 0.046 0.000 3.932 95 R HA -0.257 4.083 4.340 -0.000 0.000 0.318 95 R C -0.024 176.340 176.300 0.107 0.000 1.219 95 R CA 1.423 57.576 56.100 0.089 0.000 0.889 95 R CB -2.113 28.232 30.300 0.074 0.000 1.309 95 R HN 0.762 nan 8.270 nan 0.000 0.537 96 S N -2.749 112.932 115.700 -0.033 0.000 2.732 96 S HA 0.685 5.155 4.470 -0.000 0.000 0.293 96 S C 0.809 174.948 174.600 -0.768 0.000 1.159 96 S CA -0.405 57.576 58.200 -0.366 0.000 0.847 96 S CB 2.129 65.178 63.200 -0.252 0.000 1.169 96 S HN 0.184 nan 8.310 nan 0.000 0.501 97 G N 0.114 107.977 108.800 -1.562 0.000 3.126 97 G HA2 0.275 4.235 3.960 -0.000 0.000 0.224 97 G HA3 0.275 4.235 3.960 -0.000 0.000 0.224 97 G C 0.132 174.986 174.900 -0.077 0.000 1.142 97 G CA -0.169 44.415 45.100 -0.860 0.000 0.759 97 G HN 0.734 nan 8.290 nan 0.000 0.550 98 T N 2.239 116.697 114.554 -0.160 0.000 2.871 98 T HA 0.216 4.566 4.350 -0.000 0.000 0.296 98 T C 0.463 175.122 174.700 -0.069 0.000 0.998 98 T CA 0.406 62.483 62.100 -0.039 0.000 1.162 98 T CB 0.720 69.546 68.868 -0.071 0.000 0.947 98 T HN 0.006 nan 8.240 nan 0.000 0.536 99 L N 3.235 124.366 121.223 -0.153 0.000 2.387 99 L HA 0.807 5.146 4.340 -0.000 0.000 0.266 99 L C 0.078 176.849 176.870 -0.165 0.000 1.059 99 L CA -1.000 53.707 54.840 -0.222 0.000 0.801 99 L CB 1.357 43.133 42.059 -0.471 0.000 1.223 99 L HN 0.352 nan 8.230 nan 0.000 0.456 100 V N 2.733 122.570 119.914 -0.128 0.000 2.655 100 V HA 0.471 4.591 4.120 -0.000 0.000 0.301 100 V C -0.510 175.528 176.094 -0.093 0.000 1.082 100 V CA -0.251 61.994 62.300 -0.093 0.000 0.899 100 V CB 1.745 33.529 31.823 -0.065 0.000 1.014 100 V HN 0.568 nan 8.190 nan 0.000 0.429 101 I N 4.942 125.456 120.570 -0.094 0.000 2.783 101 I HA 0.671 4.841 4.170 -0.000 0.000 0.312 101 I C -0.646 175.327 176.117 -0.240 0.000 0.988 101 I CA -0.505 60.690 61.300 -0.175 0.000 1.182 101 I CB 1.579 39.478 38.000 -0.168 0.000 1.368 101 I HN 0.509 nan 8.210 nan 0.000 0.511 102 D N 1.993 122.129 120.400 -0.440 0.000 2.764 102 D HA 0.282 4.922 4.640 -0.000 0.000 0.227 102 D C -0.478 175.544 176.300 -0.463 0.000 1.347 102 D CA -0.256 53.558 54.000 -0.310 0.000 0.953 102 D CB 1.474 42.181 40.800 -0.153 0.000 1.476 102 D HN 0.256 nan 8.370 nan 0.000 0.585 103 F N 0.764 120.664 119.950 -0.084 0.000 2.664 103 F HA 0.220 4.747 4.527 -0.000 0.000 0.303 103 F C 2.048 177.807 175.800 -0.068 0.000 1.092 103 F CA -0.226 57.713 58.000 -0.101 0.000 1.305 103 F CB 0.297 39.223 39.000 -0.123 0.000 1.054 103 F HN 0.034 nan 8.300 nan 0.000 0.565 104 R N -0.507 120.031 120.500 0.064 0.000 2.377 104 R HA -0.049 4.291 4.340 -0.000 0.000 0.207 104 R C 0.991 177.302 176.300 0.017 0.000 1.075 104 R CA 0.758 56.880 56.100 0.036 0.000 1.035 104 R CB -0.225 30.082 30.300 0.012 0.000 0.857 104 R HN 0.022 nan 8.270 nan 0.000 0.475 105 S N -0.206 115.500 115.700 0.011 0.000 2.474 105 S HA 0.301 4.771 4.470 -0.000 0.000 0.224 105 S C -0.197 174.409 174.600 0.010 0.000 1.209 105 S CA 0.125 58.326 58.200 0.001 0.000 1.212 105 S CB 0.628 63.817 63.200 -0.018 0.000 1.137 105 S HN 0.493 nan 8.310 nan 0.000 0.446 106 G N 1.114 109.931 108.800 0.028 0.000 2.462 106 G HA2 0.085 4.045 3.960 -0.000 0.000 0.283 106 G HA3 0.085 4.045 3.960 -0.000 0.000 0.283 106 G C 0.133 175.062 174.900 0.049 0.000 1.043 106 G CA -0.078 45.041 45.100 0.032 0.000 1.300 106 G HN 1.137 nan 8.290 nan 0.000 0.518 107 G N 0.298 109.159 108.800 0.102 0.000 2.718 107 G HA2 0.912 4.872 3.960 -0.000 0.000 0.295 107 G HA3 0.912 4.872 3.960 -0.000 0.000 0.295 107 G C -0.574 174.449 174.900 0.206 0.000 1.421 107 G CA -0.562 44.640 45.100 0.170 0.000 0.902 107 G HN 1.111 nan 8.290 nan 0.000 0.501 108 R N 1.503 122.054 120.500 0.085 0.000 2.532 108 R HA 0.478 4.818 4.340 -0.000 0.000 0.297 108 R C -2.591 173.586 176.300 -0.205 0.000 0.984 108 R CA -1.816 54.186 56.100 -0.164 0.000 0.884 108 R CB 2.778 33.024 30.300 -0.091 0.000 1.182 108 R HN 0.187 nan 8.270 nan 0.000 0.442 109 P HA -0.193 nan 4.420 nan 0.000 0.228 109 P C 0.570 177.865 177.300 -0.008 0.000 1.151 109 P CA 1.003 63.932 63.100 -0.285 0.000 0.770 109 P CB 0.161 31.556 31.700 -0.508 0.000 0.786 110 E N 0.593 120.768 120.200 -0.041 0.000 2.268 110 E HA -0.179 4.171 4.350 -0.000 0.000 0.195 110 E C 1.200 177.857 176.600 0.096 0.000 0.995 110 E CA 0.958 57.367 56.400 0.016 0.000 0.836 110 E CB -0.641 29.047 29.700 -0.021 0.000 0.763 110 E HN 0.366 nan 8.360 nan 0.000 0.491 111 E N -0.203 120.102 120.200 0.175 0.000 2.385 111 E HA -0.030 4.320 4.350 -0.000 0.000 0.194 111 E C 0.351 177.182 176.600 0.385 0.000 1.013 111 E CA 0.246 56.799 56.400 0.256 0.000 0.866 111 E CB 0.132 30.017 29.700 0.308 0.000 0.832 111 E HN 0.261 nan 8.360 nan 0.000 0.500 112 Y N 1.760 122.136 120.300 0.127 0.000 2.583 112 Y HA 0.191 4.741 4.550 -0.000 0.000 0.294 112 Y C -0.071 175.922 175.900 0.154 0.000 1.170 112 Y CA -0.453 57.746 58.100 0.165 0.000 1.265 112 Y CB -0.105 38.515 38.460 0.266 0.000 1.119 112 Y HN -0.109 nan 8.280 nan 0.000 0.522 113 E N 0.207 120.530 120.200 0.205 0.000 2.200 113 E HA 0.557 4.907 4.350 -0.000 0.000 0.283 113 E C 0.376 177.017 176.600 0.069 0.000 1.015 113 E CA -0.234 56.254 56.400 0.147 0.000 0.819 113 E CB 1.296 31.054 29.700 0.096 0.000 1.081 113 E HN 0.427 nan 8.360 nan 0.000 0.397 114 G N 2.274 111.126 108.800 0.086 0.000 2.349 114 G HA2 0.045 4.005 3.960 -0.000 0.000 0.294 114 G HA3 0.045 4.005 3.960 -0.000 0.000 0.294 114 G C -1.493 173.390 174.900 -0.028 0.000 1.380 114 G CA -0.881 44.183 45.100 -0.060 0.000 0.811 114 G HN 0.448 nan 8.290 nan 0.000 0.519 115 E N -0.059 120.074 120.200 -0.111 0.000 2.152 115 E HA 0.489 4.839 4.350 -0.000 0.000 0.285 115 E C -1.086 175.454 176.600 -0.101 0.000 1.043 115 E CA -0.342 56.052 56.400 -0.010 0.000 0.839 115 E CB 0.522 30.221 29.700 -0.001 0.000 1.069 115 E HN 0.348 nan 8.360 nan 0.000 0.399 116 Y N 2.368 122.722 120.300 0.090 0.000 2.420 116 Y HA 0.317 4.867 4.550 -0.000 0.000 0.334 116 Y C 0.110 176.189 175.900 0.297 0.000 1.094 116 Y CA -0.625 57.603 58.100 0.213 0.000 1.126 116 Y CB 1.905 40.501 38.460 0.228 0.000 1.217 116 Y HN 0.455 nan 8.280 nan 0.000 0.462 117 Q N 1.872 121.969 119.800 0.494 0.000 2.268 117 Q HA 0.448 4.788 4.340 -0.000 0.000 0.266 117 Q C -1.712 174.159 176.000 -0.216 0.000 1.006 117 Q CA -0.578 55.305 55.803 0.133 0.000 0.824 117 Q CB 1.943 30.741 28.738 0.101 0.000 1.306 117 Q HN 0.916 nan 8.270 nan 0.000 0.424 118 c N 4.397 122.523 118.600 -0.792 0.000 2.401 118 c HA 0.716 5.285 4.570 -0.000 0.000 0.365 118 c C -1.104 172.565 174.090 -0.702 0.000 1.250 118 c CA -0.207 55.400 56.329 -1.203 0.000 2.131 118 c CB -0.290 41.494 42.510 -1.210 0.000 2.445 118 c HN 0.753 nan 8.230 nan 0.000 0.550 119 F N 4.190 123.763 119.950 -0.627 0.000 2.496 119 F HA 0.558 5.085 4.527 -0.000 0.000 0.341 119 F C 0.498 176.059 175.800 -0.397 0.000 1.134 119 F CA -0.332 57.371 58.000 -0.495 0.000 0.968 119 F CB 1.278 39.788 39.000 -0.816 0.000 1.205 119 F HN 0.805 nan 8.300 nan 0.000 0.436 120 A N 5.039 127.742 122.820 -0.194 0.000 2.253 120 A HA 0.731 5.051 4.320 -0.000 0.000 0.316 120 A C -0.298 177.149 177.584 -0.228 0.000 1.327 120 A CA -0.655 51.166 52.037 -0.359 0.000 0.917 120 A CB 0.564 19.398 19.000 -0.276 0.000 1.162 120 A HN 0.793 nan 8.150 nan 0.000 0.535 121 R N 2.795 123.146 120.500 -0.248 0.000 2.599 121 R HA 0.492 4.831 4.340 -0.000 0.000 0.295 121 R C -0.805 175.390 176.300 -0.174 0.000 0.963 121 R CA -0.481 55.541 56.100 -0.130 0.000 0.883 121 R CB 1.123 31.407 30.300 -0.027 0.000 1.171 121 R HN 0.914 nan 8.270 nan 0.000 0.450 122 N N 2.183 120.790 118.700 -0.154 0.000 3.167 122 N HA 0.214 4.953 4.740 -0.000 0.000 0.323 122 N C -0.055 175.304 175.510 -0.252 0.000 1.478 122 N CA -0.733 52.185 53.050 -0.220 0.000 0.753 122 N CB 0.552 38.879 38.487 -0.266 0.000 1.721 122 N HN 0.339 nan 8.380 nan 0.000 0.618 123 K N -0.313 119.834 120.400 -0.421 0.000 2.152 123 K HA -0.005 4.315 4.320 -0.000 0.000 0.206 123 K C 1.545 177.969 176.600 -0.293 0.000 1.048 123 K CA 1.366 57.408 56.287 -0.407 0.000 0.933 123 K CB -0.522 31.658 32.500 -0.532 0.000 0.721 123 K HN 0.544 nan 8.250 nan 0.000 0.447 124 F N -0.143 119.763 119.950 -0.073 0.000 2.147 124 F HA 0.061 4.588 4.527 -0.000 0.000 0.291 124 F C 1.721 177.484 175.800 -0.061 0.000 1.093 124 F CA 0.334 58.290 58.000 -0.074 0.000 1.263 124 F CB -0.024 38.912 39.000 -0.108 0.000 1.036 124 F HN 0.068 nan 8.300 nan 0.000 0.481 125 G N -1.024 107.840 108.800 0.108 0.000 2.650 125 G HA2 0.503 4.463 3.960 -0.000 0.000 0.310 125 G HA3 0.503 4.463 3.960 -0.000 0.000 0.310 125 G C -1.625 173.287 174.900 0.019 0.000 1.270 125 G CA -0.559 44.572 45.100 0.052 0.000 0.810 125 G HN -0.142 nan 8.290 nan 0.000 0.493 126 T N 0.077 114.648 114.554 0.027 0.000 2.921 126 T HA 0.726 5.075 4.350 -0.000 0.000 0.297 126 T C -0.374 174.340 174.700 0.023 0.000 1.013 126 T CA 0.133 62.249 62.100 0.027 0.000 0.990 126 T CB 1.578 70.498 68.868 0.087 0.000 1.023 126 T HN 1.260 nan 8.240 nan 0.000 0.447 127 A N 3.361 126.172 122.820 -0.016 0.000 2.350 127 A HA 0.927 5.247 4.320 -0.000 0.000 0.324 127 A C -0.757 176.737 177.584 -0.151 0.000 1.118 127 A CA -0.802 51.216 52.037 -0.032 0.000 0.783 127 A CB 0.712 19.719 19.000 0.012 0.000 1.236 127 A HN 0.813 nan 8.150 nan 0.000 0.457 128 L N 1.444 122.543 121.223 -0.206 0.000 2.330 128 L HA 0.681 5.020 4.340 -0.000 0.000 0.271 128 L C 0.728 177.437 176.870 -0.268 0.000 1.013 128 L CA -0.773 53.811 54.840 -0.427 0.000 0.816 128 L CB 1.868 43.594 42.059 -0.555 0.000 1.287 128 L HN 0.823 nan 8.230 nan 0.000 0.435 129 S N 0.142 115.649 115.700 -0.323 0.000 2.713 129 S HA 0.410 4.880 4.470 -0.000 0.000 0.277 129 S C 0.046 174.589 174.600 -0.095 0.000 1.168 129 S CA -0.898 57.206 58.200 -0.161 0.000 0.994 129 S CB 0.980 64.078 63.200 -0.170 0.000 1.054 129 S HN 0.600 nan 8.310 nan 0.000 0.555 130 N N 0.467 119.177 118.700 0.017 0.000 2.288 130 N HA 0.149 4.888 4.740 -0.000 0.000 0.237 130 N C -0.341 175.240 175.510 0.118 0.000 1.311 130 N CA 0.081 53.206 53.050 0.124 0.000 0.909 130 N CB 0.010 38.587 38.487 0.149 0.000 1.167 130 N HN 0.546 nan 8.380 nan 0.000 0.476 131 R N 1.185 121.806 120.500 0.202 0.000 2.308 131 R HA 0.260 4.600 4.340 -0.000 0.000 0.325 131 R C -0.328 176.099 176.300 0.212 0.000 1.161 131 R CA -0.448 55.751 56.100 0.165 0.000 1.022 131 R CB 0.132 30.483 30.300 0.085 0.000 1.091 131 R HN 0.383 nan 8.270 nan 0.000 0.497 132 I N 4.236 124.945 120.570 0.232 0.000 2.389 132 I HA 0.066 4.236 4.170 -0.000 0.000 0.295 132 I C 0.610 176.884 176.117 0.262 0.000 1.117 132 I CA 0.078 61.516 61.300 0.230 0.000 1.317 132 I CB 0.007 38.142 38.000 0.225 0.000 1.431 132 I HN 0.300 nan 8.210 nan 0.000 0.521 133 R N 5.622 126.246 120.500 0.206 0.000 2.308 133 R HA 0.266 4.606 4.340 -0.000 0.000 0.325 133 R C -0.407 176.005 176.300 0.187 0.000 1.161 133 R CA -0.874 55.338 56.100 0.186 0.000 1.022 133 R CB 0.618 31.002 30.300 0.138 0.000 1.091 133 R HN 0.452 nan 8.270 nan 0.000 0.497 134 L N 2.588 123.949 121.223 0.230 0.000 2.319 134 L HA 0.191 4.531 4.340 -0.000 0.000 0.280 134 L C -0.211 176.743 176.870 0.140 0.000 1.099 134 L CA 0.460 55.407 54.840 0.177 0.000 0.828 134 L CB 0.794 42.935 42.059 0.137 0.000 1.150 134 L HN 0.475 nan 8.230 nan 0.000 0.442 135 Q N 3.026 122.879 119.800 0.088 0.000 2.389 135 Q HA 0.564 4.904 4.340 -0.000 0.000 0.277 135 Q C -1.369 174.645 176.000 0.023 0.000 1.082 135 Q CA -1.020 54.819 55.803 0.060 0.000 0.810 135 Q CB 2.378 31.151 28.738 0.057 0.000 1.374 135 Q HN 0.639 nan 8.270 nan 0.000 0.422 136 V N 0.632 120.550 119.914 0.008 0.000 2.530 136 V HA 0.412 4.532 4.120 -0.000 0.000 0.282 136 V C 0.012 176.089 176.094 -0.030 0.000 1.048 136 V CA -0.415 61.867 62.300 -0.029 0.000 0.997 136 V CB 1.440 33.228 31.823 -0.058 0.000 0.987 136 V HN 0.722 nan 8.190 nan 0.000 0.477 137 S N 5.401 121.082 115.700 -0.032 0.000 2.670 137 S HA 0.159 4.629 4.470 -0.000 0.000 0.328 137 S C 0.289 174.839 174.600 -0.083 0.000 1.179 137 S CA -0.098 58.096 58.200 -0.011 0.000 1.194 137 S CB -0.634 62.589 63.200 0.038 0.000 1.359 137 S HN 0.703 nan 8.310 nan 0.000 0.555 138 K N 2.472 122.813 120.400 -0.098 0.000 2.249 138 K HA 0.222 4.542 4.320 -0.000 0.000 0.280 138 K C 0.166 176.518 176.600 -0.413 0.000 1.033 138 K CA -0.137 56.035 56.287 -0.192 0.000 0.946 138 K CB 1.259 33.680 32.500 -0.132 0.000 1.005 138 K HN 0.555 nan 8.250 nan 0.000 0.469 139 S N 2.413 117.740 115.700 -0.622 0.000 2.128 139 S HA 0.325 4.794 4.470 -0.000 0.000 0.157 139 S C -2.475 171.716 174.600 -0.682 0.000 1.650 139 S CA -1.416 55.971 58.200 -1.355 0.000 1.269 139 S CB 0.478 62.881 63.200 -1.327 0.000 1.227 139 S HN 0.280 nan 8.310 nan 0.000 0.405 140 P HA 0.369 nan 4.420 nan 0.000 0.274 140 P C -0.205 177.019 177.300 -0.127 0.000 1.246 140 P CA -0.703 62.273 63.100 -0.207 0.000 0.795 140 P CB 0.650 32.255 31.700 -0.158 0.000 1.006 141 L N 0.299 121.482 121.223 -0.066 0.000 2.456 141 L HA 0.282 4.622 4.340 -0.000 0.000 0.257 141 L C 0.287 177.167 176.870 0.017 0.000 1.162 141 L CA -0.428 54.431 54.840 0.031 0.000 0.808 141 L CB 0.181 42.269 42.059 0.047 0.000 1.136 141 L HN 0.363 nan 8.230 nan 0.000 0.466 142 W N 1.362 122.649 121.300 -0.022 0.000 2.218 142 W HA 0.309 4.969 4.660 -0.000 0.000 0.326 142 W C -1.685 174.819 176.519 -0.025 0.000 1.276 142 W CA -1.204 56.126 57.345 -0.025 0.000 1.210 142 W CB -0.475 28.959 29.460 -0.043 0.000 1.143 142 W HN 0.205 nan 8.180 nan 0.000 0.563 143 P HA 0.040 nan 4.420 nan 0.000 0.268 143 P C -0.885 176.490 177.300 0.125 0.000 1.204 143 P CA -0.338 62.829 63.100 0.113 0.000 0.768 143 P CB 0.401 32.152 31.700 0.085 0.000 0.842 144 K N 2.341 122.785 120.400 0.074 0.000 2.436 144 K HA 0.194 4.514 4.320 -0.000 0.000 0.282 144 K C 0.140 176.764 176.600 0.038 0.000 1.044 144 K CA 0.162 56.477 56.287 0.047 0.000 1.028 144 K CB -0.236 32.281 32.500 0.028 0.000 0.919 144 K HN 0.510 nan 8.250 nan 0.000 0.474 145 E N 1.399 121.611 120.200 0.020 0.000 2.304 145 E HA 0.195 4.545 4.350 -0.000 0.000 0.277 145 E C -1.304 175.282 176.600 -0.024 0.000 0.898 145 E CA -1.031 55.375 56.400 0.010 0.000 0.764 145 E CB 1.148 30.867 29.700 0.032 0.000 1.216 145 E HN 0.375 nan 8.360 nan 0.000 0.419 146 N N 4.060 122.752 118.700 -0.013 0.000 2.469 146 N HA 0.218 4.958 4.740 -0.000 0.000 0.239 146 N C -0.824 174.674 175.510 -0.020 0.000 1.053 146 N CA -0.296 52.740 53.050 -0.023 0.000 0.937 146 N CB 0.370 38.851 38.487 -0.009 0.000 1.163 146 N HN 0.560 nan 8.380 nan 0.000 0.509 147 L N 1.749 122.939 121.223 -0.055 0.000 2.439 147 L HA 0.160 4.500 4.340 -0.000 0.000 0.269 147 L C 0.520 177.402 176.870 0.020 0.000 1.179 147 L CA -0.330 54.487 54.840 -0.038 0.000 0.828 147 L CB 0.471 42.416 42.059 -0.191 0.000 1.106 147 L HN 0.338 nan 8.230 nan 0.000 0.467 148 D N 3.432 123.879 120.400 0.079 0.000 2.350 148 D HA 0.185 4.825 4.640 -0.000 0.000 0.249 148 D C -2.019 174.349 176.300 0.114 0.000 1.119 148 D CA -0.941 53.109 54.000 0.084 0.000 0.886 148 D CB 0.719 41.572 40.800 0.088 0.000 1.195 148 D HN 0.258 nan 8.370 nan 0.000 0.437 149 P HA 0.031 nan 4.420 nan 0.000 0.271 149 P C -0.437 176.912 177.300 0.081 0.000 1.216 149 P CA -0.287 62.862 63.100 0.083 0.000 0.771 149 P CB 0.647 32.375 31.700 0.047 0.000 0.864 150 V N 4.600 124.570 119.914 0.093 0.000 2.385 150 V HA 0.132 4.251 4.120 -0.000 0.000 0.269 150 V C 0.500 176.583 176.094 -0.018 0.000 1.043 150 V CA -0.325 61.993 62.300 0.030 0.000 0.906 150 V CB 1.285 33.103 31.823 -0.008 0.000 0.995 150 V HN 0.270 nan 8.190 nan 0.000 0.467 151 V N 6.092 125.989 119.914 -0.028 0.000 2.409 151 V HA 0.601 4.720 4.120 -0.000 0.000 0.291 151 V C -0.255 175.802 176.094 -0.062 0.000 1.020 151 V CA -0.528 61.748 62.300 -0.040 0.000 0.848 151 V CB 1.794 33.605 31.823 -0.020 0.000 0.990 151 V HN 0.585 nan 8.190 nan 0.000 0.430 152 V N 4.960 124.823 119.914 -0.086 0.000 2.841 152 V HA 0.478 4.598 4.120 -0.000 0.000 0.310 152 V C -0.323 175.722 176.094 -0.083 0.000 1.090 152 V CA -0.488 61.755 62.300 -0.095 0.000 0.930 152 V CB 2.414 34.148 31.823 -0.148 0.000 1.014 152 V HN 0.983 nan 8.190 nan 0.000 0.425 153 Q N 3.010 122.772 119.800 -0.064 0.000 2.364 153 Q HA 0.194 4.534 4.340 -0.000 0.000 0.267 153 Q C 0.068 176.031 176.000 -0.061 0.000 0.999 153 Q CA 0.279 56.051 55.803 -0.052 0.000 0.886 153 Q CB 0.764 29.479 28.738 -0.038 0.000 1.243 153 Q HN 0.741 nan 8.270 nan 0.000 0.415 154 E N 0.296 120.464 120.200 -0.052 0.000 2.413 154 E HA 0.031 4.381 4.350 -0.000 0.000 0.263 154 E C 0.671 177.245 176.600 -0.042 0.000 1.015 154 E CA 0.866 57.235 56.400 -0.052 0.000 0.916 154 E CB 0.205 29.881 29.700 -0.039 0.000 0.947 154 E HN 0.809 nan 8.360 nan 0.000 0.440 155 G N 2.564 111.339 108.800 -0.042 0.000 2.304 155 G HA2 -0.361 3.599 3.960 -0.000 0.000 0.252 155 G HA3 -0.361 3.599 3.960 -0.000 0.000 0.252 155 G C 0.378 175.260 174.900 -0.029 0.000 1.014 155 G CA 0.254 45.336 45.100 -0.030 0.000 0.619 155 G HN 0.897 nan 8.290 nan 0.000 0.525 156 A N 1.824 124.621 122.820 -0.039 0.000 2.366 156 A HA 0.700 5.020 4.320 -0.000 0.000 0.249 156 A C -1.328 176.236 177.584 -0.034 0.000 1.084 156 A CA -0.268 51.748 52.037 -0.035 0.000 0.794 156 A CB 0.483 19.459 19.000 -0.040 0.000 1.034 156 A HN 0.348 nan 8.150 nan 0.000 0.491 157 P HA 0.570 nan 4.420 nan 0.000 0.279 157 P C -1.194 176.103 177.300 -0.005 0.000 1.252 157 P CA -0.278 62.831 63.100 0.015 0.000 0.811 157 P CB 1.335 33.057 31.700 0.036 0.000 1.035 158 L N 0.662 121.908 121.223 0.038 0.000 2.545 158 L HA 0.496 4.836 4.340 -0.000 0.000 0.258 158 L C -1.227 175.693 176.870 0.083 0.000 0.942 158 L CA 0.036 54.871 54.840 -0.008 0.000 0.855 158 L CB 2.175 44.117 42.059 -0.195 0.000 1.374 158 L HN 0.280 nan 8.230 nan 0.000 0.411 159 T N 5.352 119.879 114.554 -0.044 0.000 2.833 159 T HA 0.496 4.846 4.350 -0.000 0.000 0.297 159 T C -0.351 174.184 174.700 -0.274 0.000 1.015 159 T CA -0.206 61.780 62.100 -0.190 0.000 0.963 159 T CB 0.596 69.352 68.868 -0.186 0.000 0.955 159 T HN 0.438 nan 8.240 nan 0.000 0.449 160 L N 5.098 126.097 121.223 -0.373 0.000 2.334 160 L HA 0.240 4.580 4.340 -0.000 0.000 0.286 160 L C 1.129 177.851 176.870 -0.247 0.000 1.108 160 L CA -0.671 53.873 54.840 -0.495 0.000 0.875 160 L CB 0.166 41.829 42.059 -0.660 0.000 1.246 160 L HN 0.601 nan 8.230 nan 0.000 0.439 161 Q N 1.603 121.335 119.800 -0.114 0.000 2.297 161 Q HA 0.026 4.366 4.340 -0.000 0.000 0.267 161 Q C 0.700 176.889 176.000 0.316 0.000 1.006 161 Q CA -0.348 55.499 55.803 0.073 0.000 0.896 161 Q CB 1.650 30.430 28.738 0.070 0.000 1.186 161 Q HN 0.663 nan 8.270 nan 0.000 0.392 162 c N 3.584 122.402 118.600 0.363 0.000 2.631 162 c HA -0.041 4.528 4.570 -0.000 0.000 0.283 162 c C 0.069 174.413 174.090 0.424 0.000 1.295 162 c CA 0.440 57.003 56.329 0.390 0.000 1.697 162 c CB -0.886 41.775 42.510 0.251 0.000 2.128 162 c HN 1.091 nan 8.230 nan 0.000 0.503 163 N N 0.668 119.520 118.700 0.254 0.000 2.608 163 N HA -0.101 4.639 4.740 -0.000 0.000 0.273 163 N C -2.616 172.887 175.510 -0.010 0.000 1.133 163 N CA 0.976 54.111 53.050 0.141 0.000 0.726 163 N CB -1.053 37.528 38.487 0.157 0.000 0.890 163 N HN 0.577 nan 8.380 nan 0.000 0.548 164 P HA 0.353 nan 4.420 nan 0.000 0.276 164 P C -2.348 174.583 177.300 -0.615 0.000 1.252 164 P CA -0.944 61.758 63.100 -0.664 0.000 0.802 164 P CB 0.383 31.883 31.700 -0.334 0.000 1.035 165 P HA 0.239 nan 4.420 nan 0.000 0.277 165 P C -2.047 175.117 177.300 -0.227 0.000 1.240 165 P CA -1.319 61.517 63.100 -0.440 0.000 0.798 165 P CB -0.665 30.757 31.700 -0.464 0.000 0.979 166 P HA -0.092 nan 4.420 nan 0.000 0.207 166 P C 0.369 177.690 177.300 0.034 0.000 0.938 166 P CA 1.424 64.493 63.100 -0.052 0.000 0.948 166 P CB -0.764 30.914 31.700 -0.038 0.000 0.643 167 G N -1.615 107.224 108.800 0.065 0.000 2.728 167 G HA2 0.000 3.960 3.960 -0.000 0.000 0.686 167 G HA3 0.000 3.960 3.960 -0.000 0.000 0.686 167 G C -1.355 173.626 174.900 0.136 0.000 1.337 167 G CA -0.697 44.503 45.100 0.167 0.000 0.861 167 G HN 0.326 nan 8.290 nan 0.000 0.597 168 L N 4.006 125.304 121.223 0.125 0.000 2.409 168 L HA 0.652 4.992 4.340 -0.000 0.000 0.272 168 L C -1.453 175.511 176.870 0.157 0.000 0.980 168 L CA -1.632 53.276 54.840 0.113 0.000 0.826 168 L CB 2.326 44.429 42.059 0.074 0.000 1.268 168 L HN 0.595 nan 8.230 nan 0.000 0.407 169 P HA 0.253 nan 4.420 nan 0.000 0.289 169 P C -0.398 176.982 177.300 0.133 0.000 1.299 169 P CA -0.592 62.586 63.100 0.129 0.000 0.766 169 P CB 0.550 32.304 31.700 0.089 0.000 1.226 170 S N 1.515 117.259 115.700 0.074 0.000 2.593 170 S HA 0.084 4.554 4.470 -0.000 0.000 0.300 170 S C -1.833 172.679 174.600 -0.148 0.000 1.267 170 S CA -0.297 57.888 58.200 -0.024 0.000 1.065 170 S CB -0.929 62.252 63.200 -0.033 0.000 0.807 170 S HN 0.389 nan 8.310 nan 0.000 0.499 171 P HA 0.174 nan 4.420 nan 0.000 0.275 171 P C -0.598 176.360 177.300 -0.571 0.000 1.227 171 P CA -0.434 62.236 63.100 -0.717 0.000 0.781 171 P CB 0.484 31.443 31.700 -1.235 0.000 0.906 172 V N 4.794 124.352 119.914 -0.594 0.000 2.637 172 V HA 0.110 4.230 4.120 -0.000 0.000 0.296 172 V C 0.916 176.733 176.094 -0.462 0.000 1.046 172 V CA 0.258 62.326 62.300 -0.388 0.000 1.066 172 V CB 0.002 31.677 31.823 -0.247 0.000 0.968 172 V HN 0.387 nan 8.190 nan 0.000 0.483 173 I N 5.556 125.907 120.570 -0.365 0.000 2.530 173 I HA 0.700 4.869 4.170 -0.000 0.000 0.297 173 I C -0.669 175.279 176.117 -0.282 0.000 1.011 173 I CA -0.411 60.596 61.300 -0.488 0.000 1.107 173 I CB 1.780 39.576 38.000 -0.340 0.000 1.285 173 I HN 0.678 nan 8.210 nan 0.000 0.436 174 F N 1.801 121.657 119.950 -0.158 0.000 2.741 174 F HA 0.630 5.157 4.527 -0.000 0.000 0.313 174 F C -1.990 173.726 175.800 -0.140 0.000 1.153 174 F CA -1.430 56.550 58.000 -0.033 0.000 0.931 174 F CB 0.708 39.717 39.000 0.014 0.000 1.335 174 F HN 0.206 nan 8.300 nan 0.000 0.460 175 W N 2.464 123.946 121.300 0.303 0.000 2.573 175 W HA 0.830 5.490 4.660 -0.000 0.000 0.326 175 W C -0.853 175.800 176.519 0.224 0.000 1.049 175 W CA -0.624 56.851 57.345 0.217 0.000 1.220 175 W CB 1.971 31.535 29.460 0.172 0.000 1.373 175 W HN 0.257 nan 8.180 nan 0.000 0.507 176 M N 1.814 121.634 119.600 0.367 0.000 2.575 176 M HA 0.291 4.771 4.480 -0.000 0.000 0.284 176 M C -0.074 176.315 176.300 0.148 0.000 1.253 176 M CA -0.963 54.469 55.300 0.221 0.000 0.861 176 M CB 1.804 34.506 32.600 0.169 0.000 1.733 176 M HN 0.319 nan 8.290 nan 0.000 0.462 177 S N 0.575 116.308 115.700 0.055 0.000 2.579 177 S HA 0.117 4.587 4.470 -0.000 0.000 0.275 177 S C 1.307 175.905 174.600 -0.004 0.000 1.345 177 S CA 0.362 58.548 58.200 -0.024 0.000 1.031 177 S CB 0.633 63.799 63.200 -0.058 0.000 0.892 177 S HN 0.777 nan 8.310 nan 0.000 0.529 178 S N 2.187 117.873 115.700 -0.024 0.000 2.469 178 S HA -0.090 4.380 4.470 -0.000 0.000 0.238 178 S C 1.239 175.826 174.600 -0.021 0.000 0.998 178 S CA 1.023 59.208 58.200 -0.025 0.000 0.957 178 S CB -0.623 62.554 63.200 -0.037 0.000 0.764 178 S HN 0.883 nan 8.310 nan 0.000 0.514 179 S N 0.481 116.169 115.700 -0.020 0.000 2.583 179 S HA 0.442 4.912 4.470 -0.000 0.000 0.239 179 S C 0.649 175.244 174.600 -0.008 0.000 0.966 179 S CA -0.333 57.857 58.200 -0.016 0.000 0.973 179 S CB -0.358 62.830 63.200 -0.020 0.000 0.794 179 S HN 0.316 nan 8.310 nan 0.000 0.463 180 M N -0.513 119.087 119.600 0.001 0.000 2.921 180 M HA -0.150 4.329 4.480 -0.000 0.000 0.206 180 M C -0.878 175.424 176.300 0.004 0.000 0.574 180 M CA 0.707 56.013 55.300 0.010 0.000 0.746 180 M CB -2.626 29.978 32.600 0.006 0.000 2.693 180 M HN 0.481 nan 8.290 nan 0.000 0.439 181 E N 2.095 122.296 120.200 0.002 0.000 2.259 181 E HA 0.385 4.735 4.350 -0.000 0.000 0.281 181 E C -1.864 174.749 176.600 0.020 0.000 1.027 181 E CA -1.382 55.019 56.400 0.001 0.000 0.838 181 E CB 0.674 30.369 29.700 -0.008 0.000 1.066 181 E HN 0.151 nan 8.360 nan 0.000 0.401 182 P HA 0.064 nan 4.420 nan 0.000 0.276 182 P C -0.509 176.832 177.300 0.070 0.000 1.235 182 P CA -0.175 62.947 63.100 0.037 0.000 0.772 182 P CB 0.544 32.244 31.700 -0.001 0.000 0.871 183 I N 3.854 124.501 120.570 0.129 0.000 2.379 183 I HA 0.073 4.243 4.170 -0.000 0.000 0.290 183 I C 1.276 177.466 176.117 0.122 0.000 1.063 183 I CA 0.109 61.502 61.300 0.153 0.000 1.351 183 I CB 0.021 38.183 38.000 0.270 0.000 1.410 183 I HN 0.339 nan 8.210 nan 0.000 0.505 184 T N 4.938 119.546 114.554 0.091 0.000 2.901 184 T HA 0.333 4.683 4.350 -0.000 0.000 0.301 184 T C 0.043 174.762 174.700 0.032 0.000 1.012 184 T CA -0.749 61.393 62.100 0.070 0.000 1.135 184 T CB 1.172 70.075 68.868 0.058 0.000 0.936 184 T HN 0.509 nan 8.240 nan 0.000 0.539 185 Q N 2.058 121.877 119.800 0.032 0.000 2.306 185 Q HA 0.574 4.914 4.340 -0.000 0.000 0.265 185 Q C -0.910 174.885 176.000 -0.341 0.000 1.022 185 Q CA -0.952 54.788 55.803 -0.105 0.000 0.853 185 Q CB 1.797 30.540 28.738 0.009 0.000 1.327 185 Q HN 0.927 nan 8.270 nan 0.000 0.449 186 D N -0.799 119.133 120.400 -0.780 0.000 2.812 186 D HA 0.164 4.804 4.640 -0.000 0.000 0.318 186 D C 0.089 175.651 176.300 -1.230 0.000 1.234 186 D CA -0.765 52.516 54.000 -1.200 0.000 0.989 186 D CB 0.519 41.096 40.800 -0.371 0.000 1.442 186 D HN 0.192 nan 8.370 nan 0.000 0.537 187 K N -0.718 119.297 120.400 -0.641 0.000 2.209 187 K HA -0.098 4.221 4.320 -0.000 0.000 0.204 187 K C 1.838 178.330 176.600 -0.181 0.000 1.048 187 K CA 0.897 57.046 56.287 -0.229 0.000 0.940 187 K CB 0.138 32.641 32.500 0.004 0.000 0.729 187 K HN 0.307 nan 8.250 nan 0.000 0.451 188 R N 0.667 121.051 120.500 -0.193 0.000 2.066 188 R HA -0.001 4.338 4.340 -0.000 0.000 0.224 188 R C -0.031 176.173 176.300 -0.160 0.000 1.122 188 R CA 0.756 56.785 56.100 -0.119 0.000 0.974 188 R CB 0.501 30.758 30.300 -0.071 0.000 0.871 188 R HN -0.116 nan 8.270 nan 0.000 0.435 189 V N 0.785 120.543 119.914 -0.260 0.000 2.443 189 V HA 0.403 4.523 4.120 -0.000 0.000 0.293 189 V C -0.772 175.091 176.094 -0.385 0.000 1.021 189 V CA -0.489 61.587 62.300 -0.374 0.000 0.848 189 V CB 1.449 33.034 31.823 -0.396 0.000 0.998 189 V HN 0.235 nan 8.190 nan 0.000 0.424 190 S N 3.476 118.983 115.700 -0.323 0.000 2.588 190 S HA 0.586 5.056 4.470 -0.000 0.000 0.269 190 S C -1.382 173.167 174.600 -0.085 0.000 1.157 190 S CA -0.705 57.388 58.200 -0.179 0.000 0.824 190 S CB 2.193 65.340 63.200 -0.090 0.000 1.126 190 S HN 0.884 nan 8.310 nan 0.000 0.464 191 Q N 1.548 121.363 119.800 0.025 0.000 2.245 191 Q HA 0.713 5.053 4.340 -0.000 0.000 0.256 191 Q C 0.368 176.491 176.000 0.204 0.000 0.942 191 Q CA -0.907 54.969 55.803 0.123 0.000 0.896 191 Q CB 1.256 30.121 28.738 0.213 0.000 1.272 191 Q HN 0.661 nan 8.270 nan 0.000 0.442 192 G N 0.284 109.266 108.800 0.304 0.000 2.562 192 G HA2 0.009 3.969 3.960 -0.000 0.000 0.275 192 G HA3 0.009 3.969 3.960 -0.000 0.000 0.275 192 G C 0.122 175.087 174.900 0.109 0.000 1.196 192 G CA -0.414 44.789 45.100 0.172 0.000 0.908 192 G HN 0.944 nan 8.290 nan 0.000 0.524 193 H N 0.761 119.797 119.070 -0.056 0.000 2.518 193 H HA -0.116 4.439 4.556 -0.000 0.000 0.289 193 H C 1.926 177.228 175.328 -0.043 0.000 1.051 193 H CA 1.606 57.628 56.048 -0.043 0.000 1.280 193 H CB 0.220 29.944 29.762 -0.064 0.000 1.380 193 H HN 0.600 nan 8.280 nan 0.000 0.566 194 N N -0.200 118.474 118.700 -0.045 0.000 2.467 194 N HA -0.006 4.734 4.740 -0.000 0.000 0.184 194 N C 1.465 176.961 175.510 -0.023 0.000 1.106 194 N CA 1.068 54.088 53.050 -0.050 0.000 0.892 194 N CB 0.029 38.499 38.487 -0.029 0.000 0.969 194 N HN 0.438 nan 8.380 nan 0.000 0.454 195 G N -0.152 108.664 108.800 0.026 0.000 2.213 195 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.226 195 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.226 195 G C -0.575 174.524 174.900 0.332 0.000 0.992 195 G CA 0.100 45.272 45.100 0.120 0.000 0.632 195 G HN 0.442 nan 8.290 nan 0.000 0.511 196 D N 0.282 120.790 120.400 0.179 0.000 2.423 196 D HA 0.436 5.076 4.640 -0.000 0.000 0.238 196 D C 0.350 176.524 176.300 -0.211 0.000 1.142 196 D CA -0.015 53.993 54.000 0.013 0.000 0.884 196 D CB 1.456 42.088 40.800 -0.281 0.000 1.199 196 D HN 0.283 nan 8.370 nan 0.000 0.438 197 L N 3.051 123.948 121.223 -0.544 0.000 2.272 197 L HA 0.288 4.628 4.340 -0.000 0.000 0.289 197 L C -1.424 174.918 176.870 -0.879 0.000 1.032 197 L CA -0.501 53.803 54.840 -0.894 0.000 0.810 197 L CB 0.438 41.494 42.059 -1.672 0.000 1.205 197 L HN 0.236 nan 8.230 nan 0.000 0.422 198 Y N 5.245 125.219 120.300 -0.542 0.000 2.342 198 Y HA 0.440 4.990 4.550 -0.000 0.000 0.338 198 Y C -0.709 174.886 175.900 -0.509 0.000 0.965 198 Y CA -0.235 57.640 58.100 -0.376 0.000 1.159 198 Y CB 0.916 39.273 38.460 -0.172 0.000 1.157 198 Y HN 0.404 nan 8.280 nan 0.000 0.486 199 F N 1.762 121.656 119.950 -0.092 0.000 2.334 199 F HA 0.248 4.775 4.527 -0.000 0.000 0.367 199 F C 1.312 177.085 175.800 -0.046 0.000 1.115 199 F CA -0.128 57.802 58.000 -0.116 0.000 1.116 199 F CB 1.356 40.245 39.000 -0.184 0.000 1.230 199 F HN 0.539 nan 8.300 nan 0.000 0.484 200 S N 2.161 117.914 115.700 0.088 0.000 2.351 200 S HA -0.146 4.324 4.470 -0.000 0.000 0.220 200 S C 0.545 175.177 174.600 0.053 0.000 1.035 200 S CA 1.217 59.448 58.200 0.052 0.000 1.031 200 S CB -0.273 62.931 63.200 0.008 0.000 0.928 200 S HN 0.741 nan 8.310 nan 0.000 0.433 201 N N 0.280 119.012 118.700 0.053 0.000 2.295 201 N HA 0.321 5.061 4.740 -0.000 0.000 0.293 201 N C -1.574 173.957 175.510 0.034 0.000 1.040 201 N CA -0.478 52.589 53.050 0.028 0.000 0.840 201 N CB 1.755 40.244 38.487 0.004 0.000 1.468 201 N HN -0.051 nan 8.380 nan 0.000 0.478 202 V N 2.868 122.765 119.914 -0.028 0.000 2.427 202 V HA 0.176 4.296 4.120 -0.000 0.000 0.268 202 V C 0.989 177.043 176.094 -0.067 0.000 1.046 202 V CA -0.149 62.088 62.300 -0.104 0.000 0.970 202 V CB 0.257 31.931 31.823 -0.248 0.000 1.001 202 V HN 0.689 nan 8.190 nan 0.000 0.476 203 M N 4.090 123.669 119.600 -0.035 0.000 2.116 203 M HA 0.311 4.791 4.480 -0.000 0.000 0.235 203 M C 1.163 177.445 176.300 -0.029 0.000 1.193 203 M CA -0.446 54.843 55.300 -0.019 0.000 0.959 203 M CB 0.523 33.127 32.600 0.007 0.000 1.313 203 M HN 0.535 nan 8.290 nan 0.000 0.530 204 L N -0.743 120.473 121.223 -0.013 0.000 2.162 204 L HA -0.031 4.308 4.340 -0.000 0.000 0.205 204 L C 2.152 179.026 176.870 0.005 0.000 1.086 204 L CA 1.010 55.844 54.840 -0.011 0.000 0.778 204 L CB -1.656 40.398 42.059 -0.007 0.000 0.928 204 L HN 0.741 nan 8.230 nan 0.000 0.446 205 Q N 0.029 119.840 119.800 0.019 0.000 2.439 205 Q HA -0.171 4.169 4.340 -0.000 0.000 0.211 205 Q C 0.680 176.722 176.000 0.070 0.000 0.978 205 Q CA 1.323 57.148 55.803 0.037 0.000 0.897 205 Q CB -0.673 28.088 28.738 0.038 0.000 0.956 205 Q HN 0.453 nan 8.270 nan 0.000 0.483 206 D N 0.527 120.971 120.400 0.074 0.000 2.392 206 D HA -0.039 4.600 4.640 -0.000 0.000 0.228 206 D C 0.932 177.338 176.300 0.176 0.000 1.003 206 D CA 0.822 54.910 54.000 0.147 0.000 0.917 206 D CB 0.075 40.879 40.800 0.006 0.000 0.890 206 D HN 0.480 nan 8.370 nan 0.000 0.532 207 M N -0.486 119.166 119.600 0.087 0.000 2.356 207 M HA 0.084 4.564 4.480 -0.000 0.000 0.262 207 M C 0.931 177.249 176.300 0.031 0.000 1.097 207 M CA 0.070 55.408 55.300 0.063 0.000 0.991 207 M CB 0.575 33.191 32.600 0.027 0.000 1.450 207 M HN -0.183 nan 8.290 nan 0.000 0.495 208 Q N 0.329 120.149 119.800 0.034 0.000 2.329 208 Q HA 0.058 4.398 4.340 -0.000 0.000 0.208 208 Q C 0.243 176.217 176.000 -0.044 0.000 0.934 208 Q CA 0.360 56.165 55.803 0.004 0.000 0.951 208 Q CB 0.328 29.077 28.738 0.019 0.000 1.017 208 Q HN 0.286 nan 8.270 nan 0.000 0.490 209 T N -0.414 114.078 114.554 -0.104 0.000 2.843 209 T HA 0.122 4.472 4.350 -0.000 0.000 0.337 209 T C -2.092 172.346 174.700 -0.436 0.000 1.754 209 T CA -0.938 61.010 62.100 -0.252 0.000 1.052 209 T CB 1.229 69.903 68.868 -0.323 0.000 1.588 209 T HN 0.210 nan 8.240 nan 0.000 0.493 210 D N 0.933 121.105 120.400 -0.380 0.000 2.387 210 D HA 0.499 5.139 4.640 -0.000 0.000 0.255 210 D C -1.117 174.904 176.300 -0.465 0.000 1.081 210 D CA -0.329 53.501 54.000 -0.284 0.000 0.994 210 D CB 0.454 41.223 40.800 -0.052 0.000 1.127 210 D HN 0.587 nan 8.370 nan 0.000 0.513 211 Y N -0.727 119.713 120.300 0.234 0.000 2.329 211 Y HA 0.415 4.965 4.550 -0.000 0.000 0.328 211 Y C -0.149 176.023 175.900 0.453 0.000 0.992 211 Y CA -0.959 57.365 58.100 0.373 0.000 1.151 211 Y CB 2.159 40.847 38.460 0.380 0.000 1.150 211 Y HN 0.456 nan 8.280 nan 0.000 0.450 212 S N 1.278 117.247 115.700 0.448 0.000 2.519 212 S HA 0.461 4.931 4.470 -0.000 0.000 0.309 212 S C -0.729 173.773 174.600 -0.163 0.000 1.100 212 S CA -0.798 57.469 58.200 0.112 0.000 1.059 212 S CB 1.150 64.320 63.200 -0.051 0.000 1.008 212 S HN 0.790 nan 8.310 nan 0.000 0.478 213 c N 4.268 122.459 118.600 -0.680 0.000 2.576 213 c HA 0.425 4.995 4.570 -0.000 0.000 0.401 213 c C 0.185 173.852 174.090 -0.705 0.000 1.314 213 c CA -0.200 55.386 56.329 -1.238 0.000 1.855 213 c CB -1.328 40.399 42.510 -1.306 0.000 2.537 213 c HN 0.946 nan 8.230 nan 0.000 0.578 214 N N 3.059 121.373 118.700 -0.644 0.000 2.361 214 N HA 0.651 5.391 4.740 -0.000 0.000 0.302 214 N C -1.011 174.090 175.510 -0.681 0.000 1.074 214 N CA -0.273 52.467 53.050 -0.517 0.000 0.850 214 N CB 1.928 40.162 38.487 -0.421 0.000 1.228 214 N HN 0.796 nan 8.380 nan 0.000 0.491 215 A N 2.246 124.795 122.820 -0.450 0.000 2.363 215 A HA 0.295 4.614 4.320 -0.000 0.000 0.296 215 A C -0.251 176.980 177.584 -0.589 0.000 1.237 215 A CA -0.642 51.050 52.037 -0.574 0.000 0.773 215 A CB 0.560 19.296 19.000 -0.439 0.000 1.153 215 A HN 0.689 nan 8.150 nan 0.000 0.473 216 R N 2.742 122.870 120.500 -0.619 0.000 2.254 216 R HA 0.537 4.876 4.340 -0.000 0.000 0.318 216 R C -1.422 174.590 176.300 -0.480 0.000 1.031 216 R CA -0.228 55.690 56.100 -0.303 0.000 0.905 216 R CB 0.340 30.624 30.300 -0.026 0.000 1.050 216 R HN 0.511 nan 8.270 nan 0.000 0.456 217 F N 2.191 122.026 119.950 -0.192 0.000 2.379 217 F HA 0.235 4.762 4.527 -0.000 0.000 0.332 217 F C 1.566 177.161 175.800 -0.343 0.000 1.096 217 F CA -0.223 57.623 58.000 -0.257 0.000 1.105 217 F CB 1.155 40.059 39.000 -0.160 0.000 1.189 217 F HN 0.701 nan 8.300 nan 0.000 0.515 218 H N 0.922 119.854 119.070 -0.230 0.000 2.293 218 H HA -0.130 4.426 4.556 -0.000 0.000 0.300 218 H C 1.165 175.990 175.328 -0.838 0.000 1.082 218 H CA 2.435 58.107 56.048 -0.626 0.000 1.308 218 H CB 0.040 29.188 29.762 -1.024 0.000 1.375 218 H HN 0.507 nan 8.280 nan 0.000 0.495 219 F N -2.399 117.472 119.950 -0.132 0.000 2.694 219 F HA 0.088 4.615 4.527 -0.000 0.000 0.292 219 F C 2.451 178.050 175.800 -0.336 0.000 1.121 219 F CA 0.738 58.576 58.000 -0.269 0.000 1.352 219 F CB -0.257 38.686 39.000 -0.095 0.000 1.107 219 F HN 0.056 nan 8.300 nan 0.000 0.597 220 T N -1.854 112.653 114.554 -0.079 0.000 3.043 220 T HA -0.065 4.285 4.350 -0.000 0.000 0.263 220 T C 0.857 175.583 174.700 0.043 0.000 1.094 220 T CA 1.150 63.241 62.100 -0.015 0.000 1.127 220 T CB -0.406 68.447 68.868 -0.025 0.000 0.905 220 T HN 0.420 nan 8.240 nan 0.000 0.490 221 H N 0.148 119.284 119.070 0.111 0.000 3.179 221 H HA -0.113 4.442 4.556 -0.000 0.000 0.250 221 H C 0.082 175.476 175.328 0.109 0.000 1.142 221 H CA 1.217 57.322 56.048 0.096 0.000 1.165 221 H CB -2.609 27.199 29.762 0.077 0.000 1.253 221 H HN 0.378 nan 8.280 nan 0.000 0.325 222 T N 1.842 116.508 114.554 0.186 0.000 2.916 222 T HA 0.423 4.773 4.350 -0.000 0.000 0.303 222 T C 1.286 176.151 174.700 0.275 0.000 1.025 222 T CA -0.006 62.191 62.100 0.162 0.000 1.142 222 T CB 1.024 69.911 68.868 0.031 0.000 0.947 222 T HN 0.151 nan 8.240 nan 0.000 0.544 223 I N 3.393 124.081 120.570 0.198 0.000 2.404 223 I HA 0.308 4.477 4.170 -0.000 0.000 0.293 223 I C -0.012 176.207 176.117 0.170 0.000 0.992 223 I CA -0.913 60.491 61.300 0.173 0.000 1.149 223 I CB 1.615 39.693 38.000 0.129 0.000 1.315 223 I HN 0.317 nan 8.210 nan 0.000 0.446 224 Q N 5.913 125.842 119.800 0.214 0.000 2.316 224 Q HA 0.466 4.805 4.340 -0.000 0.000 0.264 224 Q C -1.109 174.974 176.000 0.139 0.000 0.987 224 Q CA -0.612 55.341 55.803 0.249 0.000 0.852 224 Q CB 2.724 31.725 28.738 0.439 0.000 1.287 224 Q HN 0.554 nan 8.270 nan 0.000 0.448 225 Q N 1.489 121.283 119.800 -0.010 0.000 2.282 225 Q HA 0.342 4.682 4.340 -0.000 0.000 0.260 225 Q C -0.445 175.201 176.000 -0.590 0.000 0.964 225 Q CA -0.518 55.137 55.803 -0.245 0.000 0.880 225 Q CB 2.223 30.865 28.738 -0.160 0.000 1.286 225 Q HN 0.436 nan 8.270 nan 0.000 0.445 226 K N 1.583 121.386 120.400 -0.996 0.000 2.098 226 K HA 0.298 4.617 4.320 -0.000 0.000 0.258 226 K C -0.669 175.531 176.600 -0.666 0.000 0.973 226 K CA -0.609 54.912 56.287 -1.276 0.000 0.898 226 K CB 0.937 32.180 32.500 -2.094 0.000 1.057 226 K HN 0.385 nan 8.250 nan 0.000 0.447 227 N N 2.721 121.107 118.700 -0.523 0.000 2.293 227 N HA -0.006 4.734 4.740 -0.000 0.000 0.253 227 N C -2.426 172.838 175.510 -0.410 0.000 1.248 227 N CA -0.598 52.226 53.050 -0.376 0.000 0.845 227 N CB 0.073 38.371 38.487 -0.316 0.000 1.073 227 N HN 0.453 nan 8.380 nan 0.000 0.464 228 P HA 0.027 nan 4.420 nan 0.000 0.268 228 P C -0.829 176.389 177.300 -0.137 0.000 1.204 228 P CA 0.241 63.271 63.100 -0.118 0.000 0.768 228 P CB 0.363 32.034 31.700 -0.048 0.000 0.842 229 F N 1.119 121.156 119.950 0.146 0.000 2.410 229 F HA 0.236 4.762 4.527 -0.000 0.000 0.348 229 F C 1.012 176.908 175.800 0.159 0.000 1.106 229 F CA 0.179 58.270 58.000 0.152 0.000 1.163 229 F CB 0.722 39.845 39.000 0.204 0.000 1.129 229 F HN 0.089 nan 8.300 nan 0.000 0.516 230 T N 5.456 120.175 114.554 0.274 0.000 2.743 230 T HA 0.438 4.788 4.350 -0.000 0.000 0.292 230 T C -0.135 174.660 174.700 0.158 0.000 0.972 230 T CA -0.609 61.597 62.100 0.177 0.000 0.967 230 T CB 0.469 69.391 68.868 0.089 0.000 0.926 230 T HN 0.289 nan 8.240 nan 0.000 0.459 231 L N 3.615 124.929 121.223 0.152 0.000 2.276 231 L HA 0.468 4.808 4.340 -0.000 0.000 0.286 231 L C 0.577 177.460 176.870 0.022 0.000 1.061 231 L CA -0.530 54.343 54.840 0.056 0.000 0.807 231 L CB 0.984 43.059 42.059 0.025 0.000 1.177 231 L HN 0.486 nan 8.230 nan 0.000 0.429 232 K N 4.269 124.664 120.400 -0.008 0.000 2.478 232 K HA 0.336 4.655 4.320 -0.000 0.000 0.236 232 K C -0.529 176.048 176.600 -0.039 0.000 1.021 232 K CA -0.531 55.748 56.287 -0.013 0.000 1.010 232 K CB 1.190 33.688 32.500 -0.003 0.000 1.331 232 K HN 0.489 nan 8.250 nan 0.000 0.470 233 V N 1.970 121.855 119.914 -0.049 0.000 2.881 233 V HA 0.407 4.527 4.120 -0.000 0.000 0.303 233 V C -0.406 175.662 176.094 -0.043 0.000 1.070 233 V CA -0.552 61.709 62.300 -0.065 0.000 1.074 233 V CB 0.869 32.647 31.823 -0.075 0.000 1.012 233 V HN 0.607 nan 8.190 nan 0.000 0.482 234 L N 3.799 124.995 121.223 -0.044 0.000 2.325 234 L HA 0.422 4.762 4.340 -0.000 0.000 0.281 234 L C 0.400 177.252 176.870 -0.030 0.000 1.004 234 L CA -0.278 54.543 54.840 -0.032 0.000 0.823 234 L CB 1.966 44.008 42.059 -0.028 0.000 1.236 234 L HN 0.983 nan 8.230 nan 0.000 0.415 235 T N 0.484 115.024 114.554 -0.023 0.000 2.779 235 T HA 0.043 4.393 4.350 -0.000 0.000 0.296 235 T C 0.673 175.362 174.700 -0.018 0.000 0.938 235 T CA 0.081 62.168 62.100 -0.020 0.000 1.119 235 T CB 0.539 69.397 68.868 -0.016 0.000 0.891 235 T HN 0.669 nan 8.240 nan 0.000 0.526 236 T N 4.639 119.182 114.554 -0.018 0.000 3.129 236 T HA 0.228 4.578 4.350 -0.000 0.000 0.267 236 T C 0.684 175.376 174.700 -0.013 0.000 1.018 236 T CA -0.436 61.654 62.100 -0.016 0.000 0.903 236 T CB -0.603 68.254 68.868 -0.018 0.000 1.067 236 T HN 0.899 nan 8.240 nan 0.000 0.549 237 R N 0.319 120.811 120.500 -0.013 0.000 2.974 237 R HA -0.105 4.235 4.340 -0.000 0.000 0.258 237 R C -0.291 176.002 176.300 -0.011 0.000 0.892 237 R CA 0.797 56.890 56.100 -0.011 0.000 0.664 237 R CB -1.537 28.758 30.300 -0.009 0.000 1.478 237 R HN 0.549 nan 8.270 nan 0.000 0.498 238 G N 0.181 108.974 108.800 -0.012 0.000 2.524 238 G HA2 0.347 4.307 3.960 -0.000 0.000 0.306 238 G HA3 0.347 4.307 3.960 -0.000 0.000 0.306 238 G C -0.085 174.807 174.900 -0.013 0.000 1.420 238 G CA -0.377 44.715 45.100 -0.012 0.000 1.086 238 G HN 0.171 nan 8.290 nan 0.000 0.591 239 V N 1.721 121.628 119.914 -0.011 0.000 3.623 239 V HA 0.324 4.444 4.120 -0.000 0.000 0.271 239 V C 1.904 177.990 176.094 -0.013 0.000 1.248 239 V CA 0.557 62.850 62.300 -0.012 0.000 1.156 239 V CB -0.531 31.286 31.823 -0.010 0.000 0.870 239 V HN 1.576 nan 8.190 nan 0.000 0.453 240 A N 1.641 124.453 122.820 -0.013 0.000 2.279 240 A HA -0.200 4.120 4.320 -0.000 0.000 0.316 240 A C 0.483 178.058 177.584 -0.015 0.000 0.864 240 A CA 0.845 52.874 52.037 -0.013 0.000 1.333 240 A CB -0.691 18.301 19.000 -0.014 0.000 0.677 240 A HN 0.698 nan 8.150 nan 0.000 0.316 241 E N 1.808 122.000 120.200 -0.015 0.000 2.229 241 E HA 0.402 4.752 4.350 -0.000 0.000 0.283 241 E C 0.331 176.919 176.600 -0.019 0.000 1.030 241 E CA -0.234 56.156 56.400 -0.016 0.000 0.836 241 E CB 1.041 30.732 29.700 -0.015 0.000 1.068 241 E HN 0.653 nan 8.360 nan 0.000 0.401 242 R N 0.955 121.441 120.500 -0.023 0.000 2.892 242 R HA 0.318 4.658 4.340 -0.000 0.000 0.265 242 R C -0.421 175.858 176.300 -0.035 0.000 1.025 242 R CA -0.609 55.475 56.100 -0.027 0.000 0.982 242 R CB 1.439 31.724 30.300 -0.026 0.000 1.185 242 R HN 0.597 nan 8.270 nan 0.000 0.484 243 T N 0.602 115.132 114.554 -0.040 0.000 2.918 243 T HA 0.283 4.633 4.350 -0.000 0.000 0.302 243 T C -2.099 172.556 174.700 -0.075 0.000 1.045 243 T CA -1.253 60.815 62.100 -0.054 0.000 1.114 243 T CB 0.870 69.708 68.868 -0.051 0.000 0.965 243 T HN 0.346 nan 8.240 nan 0.000 0.540 244 P HA 0.353 nan 4.420 nan 0.000 0.274 244 P C -0.546 176.628 177.300 -0.210 0.000 1.237 244 P CA -0.425 62.580 63.100 -0.157 0.000 0.793 244 P CB 1.113 32.696 31.700 -0.195 0.000 0.977 245 S N 0.355 115.915 115.700 -0.234 0.000 2.618 245 S HA 0.630 5.100 4.470 -0.000 0.000 0.277 245 S C -1.502 172.932 174.600 -0.277 0.000 1.138 245 S CA -0.706 57.360 58.200 -0.225 0.000 0.844 245 S CB 0.596 63.753 63.200 -0.071 0.000 1.127 245 S HN 0.233 nan 8.310 nan 0.000 0.474 246 F N 3.243 123.198 119.950 0.008 0.000 2.371 246 F HA 0.354 4.880 4.527 -0.000 0.000 0.363 246 F C 1.483 177.281 175.800 -0.004 0.000 1.122 246 F CA -0.552 57.439 58.000 -0.016 0.000 1.129 246 F CB 1.088 40.080 39.000 -0.014 0.000 1.173 246 F HN 0.549 nan 8.300 nan 0.000 0.489 247 M N 2.633 122.358 119.600 0.208 0.000 2.095 247 M HA -0.148 4.332 4.480 -0.000 0.000 0.257 247 M C 1.775 178.210 176.300 0.225 0.000 1.089 247 M CA 1.635 57.054 55.300 0.198 0.000 1.138 247 M CB -0.404 32.320 32.600 0.207 0.000 1.303 247 M HN 0.685 nan 8.290 nan 0.000 0.422 248 Y N 2.137 122.407 120.300 -0.051 0.000 2.117 248 Y HA 0.085 4.635 4.550 -0.000 0.000 0.277 248 Y C -1.492 174.385 175.900 -0.037 0.000 1.104 248 Y CA -0.131 57.950 58.100 -0.033 0.000 1.089 248 Y CB -1.845 36.467 38.460 -0.246 0.000 0.999 248 Y HN 0.013 nan 8.280 nan 0.000 0.480 249 P HA 0.049 nan 4.420 nan 0.000 0.269 249 P C -1.266 175.780 177.300 -0.424 0.000 1.252 249 P CA 0.401 62.905 63.100 -0.994 0.000 0.780 249 P CB 0.252 31.171 31.700 -1.302 0.000 0.829 250 Q N 2.650 122.335 119.800 -0.192 0.000 2.289 250 Q HA 0.328 4.667 4.340 -0.000 0.000 0.273 250 Q C 1.324 177.383 176.000 0.100 0.000 1.029 250 Q CA 0.628 56.435 55.803 0.007 0.000 0.896 250 Q CB 0.235 28.988 28.738 0.026 0.000 1.182 250 Q HN 0.776 nan 8.270 nan 0.000 0.385 251 G N 2.452 111.347 108.800 0.158 0.000 2.531 251 G HA2 -0.366 3.593 3.960 -0.000 0.000 0.274 251 G HA3 -0.366 3.593 3.960 -0.000 0.000 0.274 251 G C 0.721 175.741 174.900 0.200 0.000 1.159 251 G CA 0.312 45.514 45.100 0.169 0.000 0.969 251 G HN 0.563 nan 8.290 nan 0.000 0.554 252 T N 1.017 115.587 114.554 0.027 0.000 2.866 252 T HA 0.532 4.882 4.350 -0.000 0.000 0.250 252 T C 1.126 175.495 174.700 -0.552 0.000 1.033 252 T CA 2.512 64.541 62.100 -0.118 0.000 1.145 252 T CB -0.374 68.452 68.868 -0.070 0.000 0.866 252 T HN 1.683 nan 8.240 nan 0.000 0.434 253 A N 0.621 123.143 122.820 -0.497 0.000 2.486 253 A HA 0.813 5.133 4.320 -0.000 0.000 0.289 253 A C -0.924 176.490 177.584 -0.283 0.000 1.176 253 A CA -0.539 51.141 52.037 -0.595 0.000 0.757 253 A CB 1.541 20.389 19.000 -0.253 0.000 1.337 253 A HN 0.434 nan 8.150 nan 0.000 0.423 254 S N -0.865 114.779 115.700 -0.094 0.000 2.552 254 S HA 0.702 5.172 4.470 -0.000 0.000 0.272 254 S C -0.726 173.906 174.600 0.053 0.000 1.150 254 S CA -0.148 58.085 58.200 0.055 0.000 0.849 254 S CB 1.127 64.423 63.200 0.161 0.000 1.113 254 S HN 1.597 nan 8.310 nan 0.000 0.458 255 S N 0.319 116.047 115.700 0.047 0.000 2.621 255 S HA 0.746 5.216 4.470 -0.000 0.000 0.302 255 S C -1.411 173.220 174.600 0.053 0.000 1.093 255 S CA -0.406 57.824 58.200 0.051 0.000 1.017 255 S CB 1.419 64.642 63.200 0.039 0.000 1.077 255 S HN 0.731 nan 8.310 nan 0.000 0.517 256 Q N 2.191 122.021 119.800 0.050 0.000 2.281 256 Q HA 0.312 4.652 4.340 -0.000 0.000 0.263 256 Q C -1.413 174.602 176.000 0.025 0.000 0.989 256 Q CA -0.509 55.315 55.803 0.035 0.000 0.852 256 Q CB 2.106 30.856 28.738 0.020 0.000 1.337 256 Q HN 0.607 nan 8.270 nan 0.000 0.418 257 M N 2.954 122.566 119.600 0.020 0.000 2.367 257 M HA 0.627 5.107 4.480 -0.000 0.000 0.339 257 M C -1.669 174.616 176.300 -0.026 0.000 1.177 257 M CA -0.593 54.710 55.300 0.006 0.000 1.068 257 M CB 1.612 34.227 32.600 0.025 0.000 1.602 257 M HN 0.552 nan 8.290 nan 0.000 0.457 258 V N 5.424 125.304 119.914 -0.056 0.000 2.851 258 V HA 0.448 4.568 4.120 -0.000 0.000 0.307 258 V C -1.081 174.943 176.094 -0.117 0.000 1.129 258 V CA -0.814 61.437 62.300 -0.082 0.000 0.932 258 V CB 2.704 34.480 31.823 -0.079 0.000 1.024 258 V HN 0.887 nan 8.190 nan 0.000 0.426 259 L N 5.089 126.232 121.223 -0.133 0.000 2.349 259 L HA 0.536 4.876 4.340 -0.000 0.000 0.275 259 L C 0.797 177.595 176.870 -0.119 0.000 1.115 259 L CA -0.319 54.426 54.840 -0.159 0.000 0.820 259 L CB 0.770 42.737 42.059 -0.152 0.000 1.135 259 L HN 0.675 nan 8.230 nan 0.000 0.445 260 R N 2.019 122.452 120.500 -0.113 0.000 2.504 260 R HA 0.077 4.417 4.340 -0.000 0.000 0.291 260 R C 0.995 177.213 176.300 -0.136 0.000 0.974 260 R CA 1.229 57.259 56.100 -0.116 0.000 1.077 260 R CB 0.055 30.282 30.300 -0.121 0.000 0.926 260 R HN 0.927 nan 8.270 nan 0.000 0.407 261 G N 3.333 112.054 108.800 -0.132 0.000 2.258 261 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.233 261 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.233 261 G C 0.160 175.001 174.900 -0.098 0.000 1.006 261 G CA 0.157 45.183 45.100 -0.124 0.000 0.620 261 G HN 0.466 nan 8.290 nan 0.000 0.511 262 M N 1.053 120.596 119.600 -0.095 0.000 2.114 262 M HA 0.481 4.961 4.480 -0.000 0.000 0.280 262 M C 0.160 176.402 176.300 -0.096 0.000 1.209 262 M CA -0.369 54.879 55.300 -0.086 0.000 1.044 262 M CB -0.133 32.419 32.600 -0.080 0.000 1.404 262 M HN 0.074 nan 8.290 nan 0.000 0.499 263 D N 1.035 121.375 120.400 -0.099 0.000 2.253 263 D HA 0.422 5.062 4.640 -0.000 0.000 0.249 263 D C -0.764 175.447 176.300 -0.149 0.000 1.049 263 D CA -0.316 53.610 54.000 -0.125 0.000 0.929 263 D CB 1.095 41.821 40.800 -0.124 0.000 1.176 263 D HN 0.275 nan 8.370 nan 0.000 0.437 264 L N 2.561 123.672 121.223 -0.187 0.000 2.325 264 L HA 0.398 4.737 4.340 -0.000 0.000 0.281 264 L C -1.763 174.939 176.870 -0.278 0.000 1.004 264 L CA -0.588 54.120 54.840 -0.220 0.000 0.823 264 L CB 1.153 43.068 42.059 -0.239 0.000 1.236 264 L HN 0.159 nan 8.230 nan 0.000 0.415 265 L N 6.576 127.638 121.223 -0.269 0.000 2.319 265 L HA 0.520 4.859 4.340 -0.000 0.000 0.281 265 L C -0.848 175.872 176.870 -0.250 0.000 1.005 265 L CA -0.467 54.193 54.840 -0.301 0.000 0.828 265 L CB 1.708 43.553 42.059 -0.357 0.000 1.227 265 L HN 0.621 nan 8.230 nan 0.000 0.415 266 L N 4.467 125.494 121.223 -0.327 0.000 2.329 266 L HA 0.559 4.899 4.340 -0.000 0.000 0.279 266 L C -0.135 176.687 176.870 -0.079 0.000 1.014 266 L CA -0.472 54.238 54.840 -0.217 0.000 0.814 266 L CB 2.150 43.961 42.059 -0.413 0.000 1.257 266 L HN 0.517 nan 8.230 nan 0.000 0.424 267 E N 1.619 121.956 120.200 0.229 0.000 2.343 267 E HA 0.619 4.969 4.350 -0.000 0.000 0.270 267 E C -1.666 175.144 176.600 0.350 0.000 0.895 267 E CA -0.698 55.903 56.400 0.334 0.000 0.767 267 E CB 2.711 32.568 29.700 0.262 0.000 1.248 267 E HN 0.476 nan 8.360 nan 0.000 0.440 268 c N 3.031 121.814 118.600 0.305 0.000 2.620 268 c HA 0.422 4.992 4.570 -0.000 0.000 0.356 268 c C -1.018 173.143 174.090 0.119 0.000 1.082 268 c CA -0.756 55.624 56.329 0.085 0.000 1.293 268 c CB 0.064 42.542 42.510 -0.054 0.000 1.836 268 c HN 0.510 nan 8.230 nan 0.000 0.453 269 I N 3.328 123.931 120.570 0.056 0.000 2.362 269 I HA 0.643 4.812 4.170 -0.000 0.000 0.289 269 I C 0.447 176.607 176.117 0.072 0.000 0.994 269 I CA -0.213 61.060 61.300 -0.045 0.000 1.158 269 I CB 1.109 38.840 38.000 -0.448 0.000 1.315 269 I HN 0.732 nan 8.210 nan 0.000 0.451 270 A N 4.820 127.661 122.820 0.036 0.000 2.337 270 A HA 0.733 5.053 4.320 -0.000 0.000 0.329 270 A C -0.053 177.515 177.584 -0.027 0.000 1.146 270 A CA -0.518 51.502 52.037 -0.028 0.000 0.800 270 A CB 1.042 19.980 19.000 -0.103 0.000 1.220 270 A HN 0.731 nan 8.150 nan 0.000 0.472 271 S N 1.262 116.937 115.700 -0.042 0.000 2.532 271 S HA 0.699 5.169 4.470 -0.000 0.000 0.318 271 S C 0.001 174.575 174.600 -0.045 0.000 1.083 271 S CA -0.017 58.174 58.200 -0.015 0.000 1.131 271 S CB 0.654 63.863 63.200 0.016 0.000 0.973 271 S HN 1.596 nan 8.310 nan 0.000 0.468 272 G N 1.430 110.208 108.800 -0.038 0.000 2.667 272 G HA2 0.522 4.482 3.960 -0.000 0.000 0.298 272 G HA3 0.522 4.482 3.960 -0.000 0.000 0.298 272 G C 0.186 175.070 174.900 -0.026 0.000 1.377 272 G CA -0.800 44.274 45.100 -0.042 0.000 0.964 272 G HN 0.456 nan 8.290 nan 0.000 0.493 273 V N 1.313 121.212 119.914 -0.025 0.000 2.216 273 V HA 0.001 4.121 4.120 -0.000 0.000 0.243 273 V C -1.349 174.735 176.094 -0.017 0.000 1.044 273 V CA 1.476 63.766 62.300 -0.018 0.000 0.995 273 V CB -1.014 30.798 31.823 -0.018 0.000 0.633 273 V HN 0.527 nan 8.190 nan 0.000 0.446 274 P HA 0.117 nan 4.420 nan 0.000 0.269 274 P C -0.265 177.025 177.300 -0.017 0.000 1.252 274 P CA 0.365 63.456 63.100 -0.015 0.000 0.780 274 P CB -0.130 31.561 31.700 -0.015 0.000 0.829 275 T N 7.081 121.627 114.554 -0.013 0.000 2.656 275 T HA 0.010 4.360 4.350 -0.000 0.000 0.263 275 T C -1.919 172.773 174.700 -0.014 0.000 1.017 275 T CA -0.249 61.842 62.100 -0.015 0.000 1.216 275 T CB -0.900 67.959 68.868 -0.014 0.000 0.989 275 T HN 0.311 nan 8.240 nan 0.000 0.507 276 P HA 0.167 nan 4.420 nan 0.000 0.268 276 P C -0.378 176.919 177.300 -0.005 0.000 1.208 276 P CA -0.206 62.879 63.100 -0.025 0.000 0.777 276 P CB 0.529 32.200 31.700 -0.049 0.000 0.875 277 D N 1.546 121.945 120.400 -0.002 0.000 2.248 277 D HA 0.429 5.069 4.640 -0.000 0.000 0.246 277 D C -0.096 176.211 176.300 0.011 0.000 1.027 277 D CA -0.097 53.913 54.000 0.016 0.000 0.853 277 D CB 1.440 42.248 40.800 0.013 0.000 1.243 277 D HN 0.079 nan 8.370 nan 0.000 0.462 278 I N 1.189 121.777 120.570 0.030 0.000 2.460 278 I HA 0.543 4.713 4.170 -0.000 0.000 0.298 278 I C 0.035 176.127 176.117 -0.042 0.000 0.989 278 I CA -0.494 60.796 61.300 -0.017 0.000 1.173 278 I CB 1.713 39.741 38.000 0.046 0.000 1.338 278 I HN 0.386 nan 8.210 nan 0.000 0.456 279 A N 4.845 127.558 122.820 -0.178 0.000 2.475 279 A HA 0.833 5.153 4.320 -0.000 0.000 0.301 279 A C -2.034 175.302 177.584 -0.414 0.000 1.059 279 A CA -0.510 51.430 52.037 -0.162 0.000 0.710 279 A CB 0.827 19.781 19.000 -0.077 0.000 1.288 279 A HN 0.621 nan 8.150 nan 0.000 0.408 280 W N 0.060 121.204 121.300 -0.260 0.000 2.736 280 W HA 0.737 5.396 4.660 -0.000 0.000 0.335 280 W C -1.124 174.981 176.519 -0.691 0.000 1.059 280 W CA 0.063 57.238 57.345 -0.283 0.000 1.226 280 W CB 1.711 31.147 29.460 -0.040 0.000 1.416 280 W HN 0.644 nan 8.180 nan 0.000 0.505 281 Y N 0.563 120.791 120.300 -0.119 0.000 2.597 281 Y HA 0.421 4.970 4.550 -0.000 0.000 0.340 281 Y C -0.486 175.244 175.900 -0.283 0.000 1.097 281 Y CA -1.725 56.158 58.100 -0.361 0.000 1.037 281 Y CB 2.071 39.940 38.460 -0.986 0.000 1.305 281 Y HN 0.203 nan 8.280 nan 0.000 0.463 282 K N 1.865 122.258 120.400 -0.012 0.000 2.292 282 K HA 0.432 4.752 4.320 -0.000 0.000 0.257 282 K C -1.106 175.498 176.600 0.007 0.000 0.940 282 K CA -0.833 55.360 56.287 -0.157 0.000 0.811 282 K CB 1.098 33.402 32.500 -0.326 0.000 1.120 282 K HN 0.624 nan 8.250 nan 0.000 0.428 283 K N 1.657 122.103 120.400 0.076 0.000 2.447 283 K HA 0.039 4.359 4.320 -0.000 0.000 0.281 283 K C 0.366 176.992 176.600 0.044 0.000 1.031 283 K CA 0.959 57.337 56.287 0.151 0.000 1.019 283 K CB 0.404 32.976 32.500 0.120 0.000 0.918 283 K HN 0.938 nan 8.250 nan 0.000 0.476 284 G N 1.984 110.823 108.800 0.064 0.000 2.366 284 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.299 284 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.299 284 G C 0.223 175.132 174.900 0.015 0.000 1.020 284 G CA 0.220 45.339 45.100 0.031 0.000 1.026 284 G HN 0.989 nan 8.290 nan 0.000 0.512 285 G N -1.293 107.522 108.800 0.025 0.000 2.356 285 G HA2 0.519 4.479 3.960 -0.000 0.000 0.294 285 G HA3 0.519 4.479 3.960 -0.000 0.000 0.294 285 G C -1.697 173.220 174.900 0.028 0.000 1.423 285 G CA -0.393 44.713 45.100 0.010 0.000 0.806 285 G HN 0.183 nan 8.290 nan 0.000 0.527 286 D N 0.034 120.449 120.400 0.026 0.000 2.185 286 D HA 0.506 5.146 4.640 -0.000 0.000 0.247 286 D C 0.040 176.358 176.300 0.031 0.000 1.027 286 D CA -0.232 53.792 54.000 0.040 0.000 0.861 286 D CB 2.062 42.887 40.800 0.041 0.000 1.202 286 D HN 0.229 nan 8.370 nan 0.000 0.453 287 L N 3.316 124.565 121.223 0.043 0.000 2.410 287 L HA 0.214 4.553 4.340 -0.000 0.000 0.273 287 L C -1.774 175.103 176.870 0.012 0.000 1.144 287 L CA -1.193 53.670 54.840 0.039 0.000 0.863 287 L CB -0.552 41.518 42.059 0.018 0.000 1.140 287 L HN 0.099 nan 8.230 nan 0.000 0.463 288 P HA 0.008 nan 4.420 nan 0.000 0.264 288 P C 0.708 177.991 177.300 -0.029 0.000 1.236 288 P CA -0.054 63.039 63.100 -0.011 0.000 0.811 288 P CB 0.946 32.638 31.700 -0.015 0.000 0.840 289 S N 2.455 118.152 115.700 -0.007 0.000 2.442 289 S HA -0.177 4.293 4.470 -0.000 0.000 0.236 289 S C 1.222 175.814 174.600 -0.013 0.000 1.007 289 S CA 1.234 59.435 58.200 0.002 0.000 0.965 289 S CB -0.556 62.660 63.200 0.026 0.000 0.773 289 S HN 0.513 nan 8.310 nan 0.000 0.504 290 D N 1.595 121.982 120.400 -0.022 0.000 2.144 290 D HA -0.053 4.587 4.640 -0.000 0.000 0.207 290 D C 1.690 177.961 176.300 -0.049 0.000 0.970 290 D CA 0.740 54.724 54.000 -0.028 0.000 0.853 290 D CB -0.501 40.287 40.800 -0.021 0.000 1.007 290 D HN 0.415 nan 8.370 nan 0.000 0.469 291 K N 0.527 120.891 120.400 -0.060 0.000 2.366 291 K HA 0.197 4.517 4.320 -0.000 0.000 0.198 291 K C 0.763 177.287 176.600 -0.127 0.000 1.044 291 K CA 0.268 56.506 56.287 -0.082 0.000 0.973 291 K CB 0.364 32.820 32.500 -0.073 0.000 0.767 291 K HN 0.133 nan 8.250 nan 0.000 0.475 292 A N 1.689 124.419 122.820 -0.150 0.000 2.306 292 A HA 0.436 4.755 4.320 -0.000 0.000 0.314 292 A C -0.735 176.688 177.584 -0.268 0.000 1.164 292 A CA -0.400 51.482 52.037 -0.258 0.000 0.822 292 A CB 0.589 19.400 19.000 -0.316 0.000 1.130 292 A HN 0.045 nan 8.150 nan 0.000 0.496 293 K N 1.418 121.607 120.400 -0.352 0.000 2.535 293 K HA 0.404 4.724 4.320 -0.000 0.000 0.250 293 K C -1.726 174.663 176.600 -0.352 0.000 0.948 293 K CA -0.211 55.926 56.287 -0.250 0.000 0.796 293 K CB 1.726 34.144 32.500 -0.137 0.000 1.216 293 K HN 0.584 nan 8.250 nan 0.000 0.432 294 F N 2.333 122.194 119.950 -0.148 0.000 2.467 294 F HA 0.174 4.700 4.527 -0.000 0.000 0.362 294 F C 0.939 176.669 175.800 -0.117 0.000 1.090 294 F CA 0.221 58.132 58.000 -0.148 0.000 1.202 294 F CB 0.624 39.576 39.000 -0.080 0.000 1.113 294 F HN 0.388 nan 8.300 nan 0.000 0.541 295 E N 0.305 120.521 120.200 0.026 0.000 2.412 295 E HA 0.228 4.578 4.350 -0.000 0.000 0.255 295 E C -0.286 176.350 176.600 0.060 0.000 0.933 295 E CA -1.237 55.167 56.400 0.007 0.000 0.823 295 E CB 0.908 30.589 29.700 -0.032 0.000 1.352 295 E HN 0.454 nan 8.360 nan 0.000 0.406 296 N N 0.451 119.188 118.700 0.063 0.000 2.708 296 N HA -0.250 4.489 4.740 -0.000 0.000 0.251 296 N C -1.140 174.571 175.510 0.334 0.000 1.017 296 N CA 0.731 53.894 53.050 0.188 0.000 0.742 296 N CB -1.345 37.252 38.487 0.185 0.000 0.943 296 N HN 0.682 nan 8.380 nan 0.000 0.539 297 F N -1.391 118.603 119.950 0.072 0.000 3.071 297 F HA -0.321 4.206 4.527 -0.000 0.000 0.295 297 F C 1.300 177.158 175.800 0.098 0.000 0.919 297 F CA 1.046 59.084 58.000 0.064 0.000 1.050 297 F CB -1.865 37.161 39.000 0.043 0.000 1.040 297 F HN 0.569 nan 8.300 nan 0.000 0.692 298 N N -1.270 117.568 118.700 0.231 0.000 2.955 298 N HA -0.281 4.459 4.740 -0.000 0.000 0.230 298 N C 1.276 177.054 175.510 0.447 0.000 0.891 298 N CA 1.635 54.872 53.050 0.312 0.000 1.002 298 N CB -0.596 38.024 38.487 0.221 0.000 1.063 298 N HN 0.623 nan 8.380 nan 0.000 0.601 299 K N 0.402 121.010 120.400 0.348 0.000 2.515 299 K HA 0.110 4.430 4.320 -0.000 0.000 0.196 299 K C 0.682 177.520 176.600 0.397 0.000 1.038 299 K CA 1.105 57.599 56.287 0.345 0.000 0.967 299 K CB 0.186 32.812 32.500 0.211 0.000 0.780 299 K HN 0.345 nan 8.250 nan 0.000 0.483 300 A N 0.811 123.787 122.820 0.259 0.000 2.556 300 A HA 0.658 4.978 4.320 -0.000 0.000 0.294 300 A C -1.786 175.564 177.584 -0.390 0.000 1.091 300 A CA -0.732 51.298 52.037 -0.011 0.000 0.704 300 A CB 1.502 20.489 19.000 -0.022 0.000 1.300 300 A HN 0.143 nan 8.150 nan 0.000 0.406 301 L N 1.296 122.064 121.223 -0.758 0.000 2.441 301 L HA 0.631 4.971 4.340 -0.000 0.000 0.270 301 L C -0.422 176.059 176.870 -0.647 0.000 0.973 301 L CA -0.488 53.793 54.840 -0.932 0.000 0.842 301 L CB 1.384 42.496 42.059 -1.579 0.000 1.239 301 L HN 0.900 nan 8.230 nan 0.000 0.406 302 R N 5.145 125.354 120.500 -0.486 0.000 2.407 302 R HA 0.680 5.020 4.340 -0.000 0.000 0.303 302 R C -1.421 174.674 176.300 -0.342 0.000 0.981 302 R CA -0.514 55.368 56.100 -0.362 0.000 0.905 302 R CB 1.442 31.590 30.300 -0.253 0.000 1.099 302 R HN 0.658 nan 8.270 nan 0.000 0.459 303 I N 3.717 124.109 120.570 -0.295 0.000 2.418 303 I HA 0.182 4.352 4.170 -0.000 0.000 0.287 303 I C 0.850 176.863 176.117 -0.173 0.000 1.008 303 I CA -0.460 60.702 61.300 -0.230 0.000 1.104 303 I CB 2.399 40.262 38.000 -0.229 0.000 1.264 303 I HN 0.789 nan 8.210 nan 0.000 0.438 304 T N 2.988 117.459 114.554 -0.137 0.000 2.613 304 T HA -0.126 4.223 4.350 -0.000 0.000 0.248 304 T C 0.971 175.612 174.700 -0.098 0.000 1.107 304 T CA 0.695 62.728 62.100 -0.111 0.000 1.238 304 T CB -0.184 68.630 68.868 -0.090 0.000 0.899 304 T HN 0.626 nan 8.240 nan 0.000 0.400 305 N N 2.811 121.460 118.700 -0.085 0.000 3.188 305 N HA 0.253 4.993 4.740 -0.000 0.000 0.279 305 N C -0.028 175.432 175.510 -0.083 0.000 1.213 305 N CA -0.497 52.503 53.050 -0.083 0.000 1.138 305 N CB 0.218 38.661 38.487 -0.073 0.000 1.417 305 N HN 0.284 nan 8.380 nan 0.000 0.526 306 V N 1.124 120.985 119.914 -0.088 0.000 2.763 306 V HA 0.265 4.385 4.120 -0.000 0.000 0.306 306 V C 0.451 176.501 176.094 -0.073 0.000 1.059 306 V CA -0.189 62.065 62.300 -0.076 0.000 1.138 306 V CB 0.848 32.622 31.823 -0.081 0.000 0.940 306 V HN 0.516 nan 8.190 nan 0.000 0.489 307 S N 1.481 117.151 115.700 -0.050 0.000 2.740 307 S HA 0.564 5.034 4.470 -0.000 0.000 0.300 307 S C 0.553 175.145 174.600 -0.014 0.000 1.147 307 S CA -0.221 57.952 58.200 -0.045 0.000 0.871 307 S CB 1.648 64.822 63.200 -0.044 0.000 1.173 307 S HN 0.714 nan 8.310 nan 0.000 0.510 308 E N 1.323 121.522 120.200 -0.001 0.000 2.136 308 E HA -0.217 4.132 4.350 -0.000 0.000 0.202 308 E C 1.616 178.228 176.600 0.021 0.000 1.019 308 E CA 2.266 58.676 56.400 0.017 0.000 0.819 308 E CB -0.517 29.199 29.700 0.027 0.000 0.739 308 E HN 0.788 nan 8.360 nan 0.000 0.458 309 E N 0.563 120.773 120.200 0.016 0.000 2.267 309 E HA -0.193 4.157 4.350 -0.000 0.000 0.197 309 E C 0.984 177.603 176.600 0.032 0.000 0.998 309 E CA 1.081 57.492 56.400 0.018 0.000 0.830 309 E CB -0.134 29.572 29.700 0.011 0.000 0.751 309 E HN 0.351 nan 8.360 nan 0.000 0.491 310 D N 0.959 121.386 120.400 0.046 0.000 2.340 310 D HA -0.014 4.626 4.640 -0.000 0.000 0.220 310 D C 0.755 177.161 176.300 0.177 0.000 1.039 310 D CA 0.263 54.325 54.000 0.104 0.000 0.866 310 D CB 0.190 41.027 40.800 0.061 0.000 0.913 310 D HN 0.089 nan 8.370 nan 0.000 0.523 311 S N -0.284 115.481 115.700 0.107 0.000 2.608 311 S HA 0.560 5.030 4.470 -0.000 0.000 0.261 311 S C 0.772 175.426 174.600 0.090 0.000 1.314 311 S CA 0.125 58.398 58.200 0.122 0.000 0.992 311 S CB 1.992 65.233 63.200 0.067 0.000 0.935 311 S HN 0.335 nan 8.310 nan 0.000 0.564 312 G N 0.231 109.087 108.800 0.094 0.000 2.343 312 G HA2 0.145 4.105 3.960 -0.000 0.000 0.562 312 G HA3 0.145 4.105 3.960 -0.000 0.000 0.562 312 G C -1.819 173.091 174.900 0.017 0.000 1.269 312 G CA -0.930 44.173 45.100 0.006 0.000 1.011 312 G HN 0.749 nan 8.290 nan 0.000 0.498 313 E N 0.188 120.357 120.200 -0.053 0.000 2.167 313 E HA 0.561 4.911 4.350 -0.000 0.000 0.284 313 E C -1.006 175.577 176.600 -0.030 0.000 1.016 313 E CA -0.147 56.280 56.400 0.045 0.000 0.817 313 E CB 1.131 30.872 29.700 0.069 0.000 1.080 313 E HN 0.407 nan 8.360 nan 0.000 0.397 314 Y N 2.102 122.521 120.300 0.200 0.000 2.487 314 Y HA 0.542 5.092 4.550 -0.000 0.000 0.337 314 Y C 0.059 176.175 175.900 0.359 0.000 1.076 314 Y CA -1.133 57.110 58.100 0.238 0.000 1.115 314 Y CB 1.277 39.861 38.460 0.205 0.000 1.235 314 Y HN 0.435 nan 8.280 nan 0.000 0.468 315 F N -0.017 120.161 119.950 0.379 0.000 2.645 315 F HA 0.795 5.322 4.527 -0.000 0.000 0.310 315 F C -1.161 174.741 175.800 0.170 0.000 1.102 315 F CA -1.752 56.388 58.000 0.232 0.000 0.952 315 F CB 0.846 39.921 39.000 0.125 0.000 1.326 315 F HN 0.640 nan 8.300 nan 0.000 0.456 316 c N 1.911 120.572 118.600 0.102 0.000 2.707 316 c HA 0.916 5.486 4.570 -0.000 0.000 0.313 316 c C -1.402 172.752 174.090 0.107 0.000 1.209 316 c CA -0.988 55.161 56.329 -0.299 0.000 1.635 316 c CB 1.128 42.978 42.510 -1.100 0.000 2.206 316 c HN 0.996 nan 8.230 nan 0.000 0.485 317 L N 2.650 123.908 121.223 0.058 0.000 2.349 317 L HA 0.656 4.996 4.340 -0.000 0.000 0.278 317 L C 0.564 177.469 176.870 0.058 0.000 0.996 317 L CA -0.217 54.719 54.840 0.159 0.000 0.825 317 L CB 1.764 43.956 42.059 0.222 0.000 1.243 317 L HN 1.012 nan 8.230 nan 0.000 0.412 318 A N 2.233 125.071 122.820 0.030 0.000 2.922 318 A HA 0.417 4.737 4.320 -0.000 0.000 0.298 318 A C 0.409 177.952 177.584 -0.068 0.000 1.588 318 A CA -0.347 51.642 52.037 -0.079 0.000 1.288 318 A CB -0.565 18.253 19.000 -0.303 0.000 1.130 318 A HN 0.650 nan 8.150 nan 0.000 0.557 319 S N 2.421 118.109 115.700 -0.019 0.000 3.065 319 S HA 0.113 4.583 4.470 -0.000 0.000 0.311 319 S C 0.402 174.990 174.600 -0.020 0.000 1.204 319 S CA -0.714 57.481 58.200 -0.008 0.000 1.040 319 S CB -0.074 63.139 63.200 0.022 0.000 1.436 319 S HN 0.682 nan 8.310 nan 0.000 0.532 320 N N 2.570 121.247 118.700 -0.037 0.000 2.327 320 N HA 0.245 4.984 4.740 -0.000 0.000 0.285 320 N C 1.013 176.510 175.510 -0.022 0.000 1.299 320 N CA -0.297 52.732 53.050 -0.035 0.000 0.944 320 N CB 0.332 38.789 38.487 -0.051 0.000 1.067 320 N HN 0.610 nan 8.380 nan 0.000 0.514 321 K N -0.837 119.550 120.400 -0.022 0.000 2.306 321 K HA 0.197 4.517 4.320 -0.000 0.000 0.200 321 K C 1.495 178.085 176.600 -0.017 0.000 1.083 321 K CA 0.174 56.452 56.287 -0.015 0.000 0.959 321 K CB 0.015 32.507 32.500 -0.013 0.000 0.994 321 K HN 0.238 nan 8.250 nan 0.000 0.492 322 M N 0.300 119.887 119.600 -0.023 0.000 2.619 322 M HA 0.177 4.657 4.480 -0.000 0.000 0.251 322 M C 0.360 176.643 176.300 -0.027 0.000 1.106 322 M CA 0.334 55.620 55.300 -0.023 0.000 1.086 322 M CB 1.113 33.697 32.600 -0.025 0.000 1.465 322 M HN 0.270 nan 8.290 nan 0.000 0.506 323 G N -2.131 106.650 108.800 -0.032 0.000 2.340 323 G HA2 0.467 4.426 3.960 -0.000 0.000 0.299 323 G HA3 0.467 4.426 3.960 -0.000 0.000 0.299 323 G C -1.536 173.340 174.900 -0.040 0.000 1.291 323 G CA -0.338 44.741 45.100 -0.036 0.000 0.841 323 G HN -0.047 nan 8.290 nan 0.000 0.500 324 S N -0.317 115.358 115.700 -0.041 0.000 2.461 324 S HA 0.491 4.960 4.470 -0.000 0.000 0.245 324 S C -0.376 174.207 174.600 -0.029 0.000 1.039 324 S CA -0.342 57.839 58.200 -0.033 0.000 1.077 324 S CB -0.462 62.737 63.200 -0.001 0.000 1.171 324 S HN 1.351 nan 8.310 nan 0.000 0.433 325 I N 1.834 122.363 120.570 -0.069 0.000 3.062 325 I HA 0.910 5.080 4.170 -0.000 0.000 0.318 325 I C -0.301 175.889 176.117 0.123 0.000 1.026 325 I CA -1.265 60.019 61.300 -0.026 0.000 1.096 325 I CB 1.301 39.226 38.000 -0.124 0.000 1.348 325 I HN 0.682 nan 8.210 nan 0.000 0.543 326 R N 1.232 121.891 120.500 0.266 0.000 2.673 326 R HA 0.500 4.840 4.340 -0.000 0.000 0.281 326 R C -1.602 174.943 176.300 0.408 0.000 0.991 326 R CA -0.638 55.676 56.100 0.357 0.000 0.896 326 R CB 1.227 31.609 30.300 0.137 0.000 1.201 326 R HN 0.819 nan 8.270 nan 0.000 0.457 327 H N 1.618 120.757 119.070 0.116 0.000 2.538 327 H HA 0.470 5.026 4.556 -0.000 0.000 0.353 327 H C -1.141 174.171 175.328 -0.026 0.000 1.109 327 H CA -0.573 55.346 56.048 -0.215 0.000 1.192 327 H CB 2.356 31.581 29.762 -0.894 0.000 1.555 327 H HN 0.774 nan 8.280 nan 0.000 0.518 328 T N 6.342 120.725 114.554 -0.285 0.000 2.792 328 T HA 0.419 4.769 4.350 -0.000 0.000 0.280 328 T C 0.356 175.055 174.700 -0.003 0.000 0.990 328 T CA -0.550 61.538 62.100 -0.020 0.000 0.960 328 T CB 0.672 69.504 68.868 -0.060 0.000 0.939 328 T HN 0.383 nan 8.240 nan 0.000 0.439 329 I N 2.448 123.140 120.570 0.203 0.000 2.378 329 I HA 0.341 4.510 4.170 -0.000 0.000 0.291 329 I C 0.142 176.385 176.117 0.210 0.000 0.992 329 I CA -0.640 60.785 61.300 0.208 0.000 1.154 329 I CB 1.776 39.936 38.000 0.266 0.000 1.315 329 I HN 0.507 nan 8.210 nan 0.000 0.448 330 S N 5.408 121.189 115.700 0.136 0.000 2.438 330 S HA 0.479 4.949 4.470 -0.000 0.000 0.293 330 S C -0.259 174.419 174.600 0.130 0.000 1.141 330 S CA -0.625 57.651 58.200 0.128 0.000 1.080 330 S CB 1.517 64.759 63.200 0.070 0.000 0.978 330 S HN 0.307 nan 8.310 nan 0.000 0.479 331 V N 5.258 125.275 119.914 0.172 0.000 2.350 331 V HA 0.413 4.533 4.120 -0.000 0.000 0.285 331 V C 0.087 176.241 176.094 0.100 0.000 1.014 331 V CA -0.849 61.531 62.300 0.134 0.000 0.831 331 V CB 0.933 32.865 31.823 0.182 0.000 1.000 331 V HN 0.863 nan 8.190 nan 0.000 0.433 332 R N 3.836 124.371 120.500 0.059 0.000 2.460 332 R HA 0.819 5.158 4.340 -0.000 0.000 0.303 332 R C -1.328 174.983 176.300 0.019 0.000 0.968 332 R CA -0.788 55.338 56.100 0.043 0.000 0.889 332 R CB 1.785 32.109 30.300 0.040 0.000 1.123 332 R HN 0.315 nan 8.270 nan 0.000 0.455 333 V N 3.952 123.874 119.914 0.014 0.000 2.311 333 V HA 0.270 4.390 4.120 -0.000 0.000 0.275 333 V C -0.189 175.892 176.094 -0.022 0.000 1.022 333 V CA -0.723 61.569 62.300 -0.014 0.000 0.830 333 V CB 0.959 32.779 31.823 -0.005 0.000 1.012 333 V HN 0.664 nan 8.190 nan 0.000 0.452 334 K N 3.029 123.385 120.400 -0.073 0.000 2.168 334 K HA 0.917 5.237 4.320 -0.000 0.000 0.239 334 K C -0.263 176.257 176.600 -0.134 0.000 0.999 334 K CA -0.573 55.660 56.287 -0.091 0.000 0.900 334 K CB 2.334 34.746 32.500 -0.147 0.000 1.111 334 K HN 0.666 nan 8.250 nan 0.000 0.452 335 A N 0.277 123.060 122.820 -0.062 0.000 2.427 335 A HA 0.651 4.971 4.320 -0.000 0.000 0.298 335 A C -0.819 176.805 177.584 0.067 0.000 1.036 335 A CA -0.686 51.352 52.037 0.001 0.000 0.701 335 A CB 1.354 20.437 19.000 0.139 0.000 1.250 335 A HN 0.648 nan 8.150 nan 0.000 0.412 336 A N 3.038 125.887 122.820 0.048 0.000 2.386 336 A HA 0.666 4.986 4.320 -0.000 0.000 0.248 336 A C -2.452 175.189 177.584 0.096 0.000 1.082 336 A CA -1.164 50.922 52.037 0.081 0.000 0.789 336 A CB -0.578 18.442 19.000 0.034 0.000 1.025 336 A HN 0.544 nan 8.150 nan 0.000 0.490 337 P HA 0.294 nan 4.420 nan 0.000 0.266 337 P C -1.153 176.097 177.300 -0.083 0.000 1.195 337 P CA 0.749 63.779 63.100 -0.118 0.000 0.768 337 P CB 0.033 31.593 31.700 -0.233 0.000 0.838 338 Y N -1.262 118.905 120.300 -0.223 0.000 2.492 338 Y HA 0.579 5.129 4.550 -0.000 0.000 0.346 338 Y C -0.972 174.846 175.900 -0.136 0.000 0.997 338 Y CA -1.709 56.274 58.100 -0.196 0.000 1.025 338 Y CB 0.724 39.139 38.460 -0.074 0.000 1.263 338 Y HN 0.299 nan 8.280 nan 0.000 0.454 339 W N 4.056 125.397 121.300 0.069 0.000 2.322 339 W HA 0.212 4.872 4.660 -0.000 0.000 0.328 339 W C 0.291 176.805 176.519 -0.009 0.000 1.395 339 W CA -0.363 56.980 57.345 -0.002 0.000 1.267 339 W CB 0.579 30.052 29.460 0.022 0.000 1.259 339 W HN 0.556 nan 8.180 nan 0.000 0.560 340 L N 2.152 123.522 121.223 0.245 0.000 2.265 340 L HA 0.127 4.466 4.340 -0.000 0.000 0.195 340 L C 0.477 177.442 176.870 0.159 0.000 1.083 340 L CA 1.595 56.519 54.840 0.140 0.000 0.798 340 L CB -0.418 41.668 42.059 0.046 0.000 0.989 340 L HN 0.241 nan 8.230 nan 0.000 0.472 341 D N 0.310 120.826 120.400 0.193 0.000 2.412 341 D HA 0.109 4.749 4.640 -0.000 0.000 0.276 341 D C -0.645 175.673 176.300 0.030 0.000 1.196 341 D CA -0.159 53.897 54.000 0.094 0.000 0.905 341 D CB 0.745 41.593 40.800 0.080 0.000 1.081 341 D HN 0.152 nan 8.370 nan 0.000 0.502 342 E N 2.715 122.765 120.200 -0.250 0.000 2.344 342 E HA 0.185 4.535 4.350 -0.000 0.000 0.270 342 E C -2.082 174.245 176.600 -0.455 0.000 1.021 342 E CA -1.424 54.452 56.400 -0.873 0.000 0.887 342 E CB 0.808 29.677 29.700 -1.386 0.000 0.997 342 E HN 0.116 nan 8.360 nan 0.000 0.429 343 P HA 0.079 nan 4.420 nan 0.000 0.276 343 P C -1.281 175.907 177.300 -0.188 0.000 1.230 343 P CA 0.106 63.128 63.100 -0.130 0.000 0.776 343 P CB 0.853 32.587 31.700 0.056 0.000 0.888 344 K N 2.045 122.349 120.400 -0.161 0.000 2.238 344 K HA 0.342 4.662 4.320 -0.000 0.000 0.239 344 K C 0.259 176.708 176.600 -0.251 0.000 0.987 344 K CA -0.881 55.287 56.287 -0.199 0.000 0.857 344 K CB 1.087 33.483 32.500 -0.173 0.000 1.154 344 K HN 0.339 nan 8.250 nan 0.000 0.439 345 N N 0.552 119.011 118.700 -0.403 0.000 2.374 345 N HA 0.038 4.777 4.740 -0.000 0.000 0.241 345 N C -0.926 174.300 175.510 -0.474 0.000 1.262 345 N CA 0.129 52.730 53.050 -0.749 0.000 0.880 345 N CB 0.326 37.979 38.487 -1.390 0.000 1.105 345 N HN 0.172 nan 8.380 nan 0.000 0.438 346 L N 2.470 123.439 121.223 -0.423 0.000 2.343 346 L HA 0.445 4.784 4.340 -0.000 0.000 0.278 346 L C -1.078 175.752 176.870 -0.066 0.000 0.996 346 L CA -0.759 53.966 54.840 -0.191 0.000 0.831 346 L CB 1.035 42.994 42.059 -0.165 0.000 1.232 346 L HN 0.431 nan 8.230 nan 0.000 0.413 347 I N 5.135 125.685 120.570 -0.032 0.000 2.359 347 I HA 0.408 4.577 4.170 -0.000 0.000 0.284 347 I C -0.251 175.854 176.117 -0.019 0.000 1.018 347 I CA 0.142 61.452 61.300 0.016 0.000 1.173 347 I CB 1.176 39.203 38.000 0.044 0.000 1.326 347 I HN 0.342 nan 8.210 nan 0.000 0.462 348 L N 4.717 125.922 121.223 -0.031 0.000 2.333 348 L HA 0.887 5.226 4.340 -0.000 0.000 0.269 348 L C 0.222 177.073 176.870 -0.031 0.000 1.010 348 L CA -1.047 53.773 54.840 -0.033 0.000 0.818 348 L CB 1.823 43.856 42.059 -0.043 0.000 1.306 348 L HN 0.589 nan 8.230 nan 0.000 0.430 349 A N 2.173 124.979 122.820 -0.024 0.000 2.327 349 A HA 0.629 4.949 4.320 -0.000 0.000 0.283 349 A C -2.363 175.209 177.584 -0.021 0.000 1.127 349 A CA -1.519 50.505 52.037 -0.022 0.000 0.810 349 A CB -0.131 18.860 19.000 -0.016 0.000 1.066 349 A HN 0.413 nan 8.150 nan 0.000 0.492 350 P HA 0.104 nan 4.420 nan 0.000 0.256 350 P C 0.934 178.227 177.300 -0.010 0.000 1.173 350 P CA 1.857 64.947 63.100 -0.017 0.000 0.768 350 P CB 0.365 32.055 31.700 -0.017 0.000 0.758 351 G N 2.106 110.902 108.800 -0.006 0.000 2.238 351 G HA2 -0.201 3.759 3.960 -0.000 0.000 0.217 351 G HA3 -0.201 3.759 3.960 -0.000 0.000 0.217 351 G C 0.087 174.987 174.900 -0.000 0.000 0.996 351 G CA -0.284 44.815 45.100 -0.002 0.000 0.632 351 G HN 0.606 nan 8.290 nan 0.000 0.503 352 E N 1.309 121.507 120.200 -0.003 0.000 2.338 352 E HA 0.390 4.740 4.350 -0.000 0.000 0.272 352 E C -0.689 175.916 176.600 0.008 0.000 1.029 352 E CA -0.428 55.971 56.400 -0.001 0.000 0.872 352 E CB 0.316 30.011 29.700 -0.008 0.000 1.015 352 E HN 0.356 nan 8.360 nan 0.000 0.417 353 D N 2.221 122.626 120.400 0.009 0.000 2.348 353 D HA 0.357 4.997 4.640 -0.000 0.000 0.253 353 D C -0.080 176.234 176.300 0.025 0.000 1.161 353 D CA 0.195 54.206 54.000 0.019 0.000 0.876 353 D CB 1.491 42.292 40.800 0.002 0.000 1.160 353 D HN 0.431 nan 8.370 nan 0.000 0.459 354 G N 0.960 109.800 108.800 0.066 0.000 2.600 354 G HA2 0.724 4.684 3.960 -0.000 0.000 0.303 354 G HA3 0.724 4.684 3.960 -0.000 0.000 0.303 354 G C -1.043 173.916 174.900 0.097 0.000 1.253 354 G CA -0.819 44.325 45.100 0.074 0.000 0.974 354 G HN 0.442 nan 8.290 nan 0.000 0.483 355 R N -0.124 120.415 120.500 0.065 0.000 2.643 355 R HA 0.474 4.814 4.340 -0.000 0.000 0.269 355 R C -2.387 173.919 176.300 0.009 0.000 1.037 355 R CA -0.778 55.324 56.100 0.003 0.000 0.894 355 R CB 0.897 31.171 30.300 -0.043 0.000 1.238 355 R HN 0.446 nan 8.270 nan 0.000 0.459 356 L N 2.526 123.725 121.223 -0.040 0.000 2.349 356 L HA 0.569 4.909 4.340 -0.000 0.000 0.278 356 L C -0.679 176.237 176.870 0.076 0.000 0.996 356 L CA -1.201 53.647 54.840 0.014 0.000 0.825 356 L CB 2.277 44.339 42.059 0.004 0.000 1.243 356 L HN 0.329 nan 8.230 nan 0.000 0.412 357 V N 2.268 122.262 119.914 0.135 0.000 2.448 357 V HA 0.305 4.425 4.120 -0.000 0.000 0.295 357 V C -0.543 175.694 176.094 0.238 0.000 1.025 357 V CA -0.556 61.853 62.300 0.182 0.000 0.859 357 V CB 1.883 33.761 31.823 0.092 0.000 0.988 357 V HN 0.882 nan 8.190 nan 0.000 0.431 358 c N 7.720 126.515 118.600 0.325 0.000 2.437 358 c HA 0.666 5.236 4.570 -0.000 0.000 0.307 358 c C -0.108 174.109 174.090 0.211 0.000 1.093 358 c CA -0.521 55.967 56.329 0.265 0.000 1.463 358 c CB -0.640 41.921 42.510 0.084 0.000 1.926 358 c HN 0.967 nan 8.230 nan 0.000 0.420 359 R N 3.849 124.495 120.500 0.243 0.000 2.532 359 R HA 0.742 5.082 4.340 -0.000 0.000 0.297 359 R C -0.784 175.593 176.300 0.130 0.000 0.984 359 R CA -0.134 56.047 56.100 0.134 0.000 0.884 359 R CB 2.021 32.376 30.300 0.090 0.000 1.182 359 R HN 0.756 nan 8.270 nan 0.000 0.442 360 A N 2.556 125.350 122.820 -0.044 0.000 2.374 360 A HA 0.481 4.801 4.320 -0.000 0.000 0.317 360 A C -1.032 176.383 177.584 -0.282 0.000 1.094 360 A CA -0.774 51.141 52.037 -0.204 0.000 0.765 360 A CB 1.630 20.380 19.000 -0.416 0.000 1.268 360 A HN 0.618 nan 8.150 nan 0.000 0.438 361 N N 0.201 118.601 118.700 -0.501 0.000 2.456 361 N HA 0.683 5.423 4.740 -0.000 0.000 0.288 361 N C -0.068 175.098 175.510 -0.573 0.000 1.059 361 N CA 0.757 53.493 53.050 -0.524 0.000 0.946 361 N CB 1.526 39.658 38.487 -0.593 0.000 1.150 361 N HN 1.029 nan 8.380 nan 0.000 0.479 362 G N 1.208 109.870 108.800 -0.230 0.000 2.649 362 G HA2 0.347 4.306 3.960 -0.000 0.000 0.290 362 G HA3 0.347 4.306 3.960 -0.000 0.000 0.290 362 G C -1.827 173.079 174.900 0.011 0.000 1.426 362 G CA -0.568 44.495 45.100 -0.062 0.000 0.794 362 G HN 0.604 nan 8.290 nan 0.000 0.483 363 N N 0.505 119.246 118.700 0.069 0.000 2.571 363 N HA 0.495 5.234 4.740 -0.000 0.000 0.286 363 N C -2.969 172.627 175.510 0.145 0.000 1.138 363 N CA -1.236 51.860 53.050 0.076 0.000 0.859 363 N CB 2.760 41.287 38.487 0.066 0.000 1.414 363 N HN 0.114 nan 8.380 nan 0.000 0.529 364 P HA 0.075 nan 4.420 nan 0.000 0.271 364 P C -0.468 176.846 177.300 0.024 0.000 1.233 364 P CA -0.076 63.056 63.100 0.053 0.000 0.789 364 P CB 0.547 32.264 31.700 0.028 0.000 0.951 365 K N 2.481 122.882 120.400 0.001 0.000 2.451 365 K HA 0.154 4.474 4.320 -0.000 0.000 0.280 365 K C -2.108 174.471 176.600 -0.035 0.000 1.020 365 K CA -1.070 55.203 56.287 -0.023 0.000 1.008 365 K CB -0.770 31.717 32.500 -0.021 0.000 0.917 365 K HN 0.347 nan 8.250 nan 0.000 0.478 366 P HA 0.022 nan 4.420 nan 0.000 0.269 366 P C -0.472 176.788 177.300 -0.068 0.000 1.217 366 P CA 0.134 63.188 63.100 -0.077 0.000 0.783 366 P CB 0.440 32.064 31.700 -0.127 0.000 0.898 367 T N 0.404 114.915 114.554 -0.072 0.000 2.925 367 T HA 0.476 4.826 4.350 -0.000 0.000 0.285 367 T C -0.361 174.276 174.700 -0.106 0.000 1.021 367 T CA -0.542 61.517 62.100 -0.068 0.000 1.042 367 T CB 1.016 69.850 68.868 -0.057 0.000 1.037 367 T HN 0.018 nan 8.240 nan 0.000 0.481 368 V N 2.802 122.648 119.914 -0.113 0.000 2.448 368 V HA 0.421 4.541 4.120 -0.000 0.000 0.295 368 V C -0.468 175.490 176.094 -0.227 0.000 1.025 368 V CA -0.772 61.394 62.300 -0.223 0.000 0.859 368 V CB 1.520 33.200 31.823 -0.238 0.000 0.988 368 V HN 0.825 nan 8.190 nan 0.000 0.431 369 Q N 3.545 123.167 119.800 -0.296 0.000 2.340 369 Q HA 0.478 4.818 4.340 -0.000 0.000 0.268 369 Q C -1.632 174.228 176.000 -0.233 0.000 1.031 369 Q CA -0.472 55.230 55.803 -0.168 0.000 0.804 369 Q CB 2.723 31.416 28.738 -0.076 0.000 1.286 369 Q HN 0.709 nan 8.270 nan 0.000 0.448 370 W N 2.724 124.074 121.300 0.083 0.000 2.551 370 W HA 0.613 5.273 4.660 -0.000 0.000 0.330 370 W C -0.150 176.440 176.519 0.118 0.000 1.063 370 W CA -0.468 56.952 57.345 0.126 0.000 1.222 370 W CB 1.341 30.890 29.460 0.148 0.000 1.349 370 W HN 0.312 nan 8.180 nan 0.000 0.536 371 M N 2.552 122.394 119.600 0.403 0.000 2.446 371 M HA 0.416 4.896 4.480 -0.000 0.000 0.294 371 M C -1.203 175.184 176.300 0.145 0.000 1.158 371 M CA -1.062 54.374 55.300 0.226 0.000 0.899 371 M CB 2.332 35.018 32.600 0.143 0.000 1.687 371 M HN -0.022 nan 8.290 nan 0.000 0.455 372 V N 3.792 123.706 119.914 0.000 0.000 2.293 372 V HA 0.299 4.419 4.120 -0.000 0.000 0.275 372 V C 0.035 176.066 176.094 -0.105 0.000 1.021 372 V CA -0.768 61.385 62.300 -0.245 0.000 0.815 372 V CB 0.632 32.270 31.823 -0.309 0.000 1.025 372 V HN 1.029 nan 8.190 nan 0.000 0.448 373 N N 4.347 123.003 118.700 -0.073 0.000 2.738 373 N HA -0.233 4.507 4.740 -0.000 0.000 0.249 373 N C 1.230 176.800 175.510 0.099 0.000 1.047 373 N CA 1.252 54.311 53.050 0.015 0.000 0.707 373 N CB -1.084 37.403 38.487 0.001 0.000 0.937 373 N HN 1.406 nan 8.380 nan 0.000 0.545 374 G N -0.365 108.504 108.800 0.115 0.000 2.417 374 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.233 374 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.233 374 G C -0.080 174.915 174.900 0.158 0.000 1.103 374 G CA 0.632 45.857 45.100 0.209 0.000 0.647 374 G HN 0.600 nan 8.290 nan 0.000 0.512 375 E N 2.615 122.877 120.200 0.104 0.000 2.344 375 E HA 0.410 4.760 4.350 -0.000 0.000 0.270 375 E C -2.189 174.457 176.600 0.078 0.000 1.021 375 E CA -1.719 54.726 56.400 0.075 0.000 0.887 375 E CB 0.805 30.532 29.700 0.044 0.000 0.997 375 E HN 0.206 nan 8.360 nan 0.000 0.429 376 P HA -0.074 nan 4.420 nan 0.000 0.268 376 P C 0.463 177.823 177.300 0.099 0.000 1.204 376 P CA -0.085 63.070 63.100 0.091 0.000 0.768 376 P CB 0.644 32.387 31.700 0.072 0.000 0.842 377 L N 3.681 124.990 121.223 0.142 0.000 2.034 377 L HA -0.295 4.045 4.340 -0.000 0.000 0.217 377 L C 2.451 179.382 176.870 0.102 0.000 1.077 377 L CA 2.057 56.986 54.840 0.149 0.000 0.769 377 L CB -0.975 41.215 42.059 0.219 0.000 0.890 377 L HN 0.461 nan 8.230 nan 0.000 0.435 378 Q N -0.740 119.115 119.800 0.092 0.000 2.156 378 Q HA -0.238 4.101 4.340 -0.000 0.000 0.211 378 Q C 1.239 177.270 176.000 0.050 0.000 0.995 378 Q CA 2.088 57.930 55.803 0.065 0.000 0.877 378 Q CB -0.179 28.593 28.738 0.058 0.000 0.920 378 Q HN 0.689 nan 8.270 nan 0.000 0.416 379 S N -1.336 114.393 115.700 0.049 0.000 2.481 379 S HA 0.651 5.121 4.470 -0.000 0.000 0.243 379 S C -0.227 174.394 174.600 0.035 0.000 1.152 379 S CA -0.326 57.896 58.200 0.036 0.000 1.168 379 S CB 1.051 64.270 63.200 0.030 0.000 0.835 379 S HN 0.418 nan 8.310 nan 0.000 0.474 380 A N 1.856 124.701 122.820 0.042 0.000 2.294 380 A HA 0.817 5.137 4.320 -0.000 0.000 0.330 380 A C -2.784 174.820 177.584 0.033 0.000 1.133 380 A CA -2.142 49.917 52.037 0.036 0.000 0.836 380 A CB -0.149 18.880 19.000 0.047 0.000 1.190 380 A HN 0.372 nan 8.150 nan 0.000 0.492 381 P HA 0.237 nan 4.420 nan 0.000 0.260 381 P C -2.291 175.033 177.300 0.040 0.000 1.207 381 P CA -0.250 62.865 63.100 0.026 0.000 0.780 381 P CB -0.520 31.192 31.700 0.020 0.000 0.789 382 P HA 0.002 nan 4.420 nan 0.000 0.264 382 P C -0.250 177.080 177.300 0.049 0.000 1.179 382 P CA 0.351 63.475 63.100 0.040 0.000 0.763 382 P CB 0.416 32.133 31.700 0.028 0.000 0.806 383 N N 2.980 121.715 118.700 0.058 0.000 2.500 383 N HA 0.211 4.951 4.740 -0.000 0.000 0.291 383 N C -2.268 173.271 175.510 0.048 0.000 1.092 383 N CA -1.839 51.252 53.050 0.069 0.000 0.890 383 N CB 1.775 40.335 38.487 0.121 0.000 1.466 383 N HN 0.021 nan 8.380 nan 0.000 0.507 384 P HA 0.096 nan 4.420 nan 0.000 0.222 384 P C 0.357 177.665 177.300 0.013 0.000 1.153 384 P CA 0.754 63.864 63.100 0.018 0.000 0.798 384 P CB 0.391 32.100 31.700 0.016 0.000 0.796 385 N N -0.354 118.369 118.700 0.039 0.000 2.515 385 N HA -0.037 4.703 4.740 -0.000 0.000 0.191 385 N C 0.541 176.065 175.510 0.023 0.000 1.182 385 N CA 0.371 53.449 53.050 0.046 0.000 0.879 385 N CB -0.280 38.261 38.487 0.090 0.000 0.984 385 N HN 0.213 nan 8.380 nan 0.000 0.453 386 R N 0.940 121.423 120.500 -0.027 0.000 2.393 386 R HA 0.210 4.550 4.340 -0.000 0.000 0.315 386 R C -1.167 175.006 176.300 -0.212 0.000 0.952 386 R CA -0.367 55.620 56.100 -0.187 0.000 0.842 386 R CB 0.935 31.173 30.300 -0.105 0.000 1.163 386 R HN -0.118 nan 8.270 nan 0.000 0.450 387 E N 4.201 124.220 120.200 -0.303 0.000 2.165 387 E HA 0.179 4.529 4.350 -0.000 0.000 0.266 387 E C -0.722 175.703 176.600 -0.291 0.000 0.889 387 E CA -0.641 55.623 56.400 -0.227 0.000 0.756 387 E CB 2.153 31.754 29.700 -0.166 0.000 1.131 387 E HN 0.501 nan 8.360 nan 0.000 0.411 388 V N -0.395 119.388 119.914 -0.218 0.000 2.427 388 V HA 0.858 4.977 4.120 -0.000 0.000 0.286 388 V C 0.067 176.095 176.094 -0.110 0.000 1.034 388 V CA -0.725 61.446 62.300 -0.216 0.000 0.893 388 V CB 1.352 33.077 31.823 -0.163 0.000 0.982 388 V HN 0.640 nan 8.190 nan 0.000 0.452 389 A N 3.872 126.643 122.820 -0.082 0.000 3.258 389 A HA 0.805 5.125 4.320 -0.000 0.000 0.318 389 A C 1.022 178.638 177.584 0.054 0.000 0.990 389 A CA 0.286 52.313 52.037 -0.017 0.000 0.885 389 A CB -0.202 18.777 19.000 -0.036 0.000 1.090 389 A HN 2.571 nan 8.150 nan 0.000 0.479 390 G N 2.085 110.946 108.800 0.101 0.000 2.601 390 G HA2 -0.413 3.546 3.960 -0.000 0.000 0.306 390 G HA3 -0.413 3.546 3.960 -0.000 0.000 0.306 390 G C 0.672 175.764 174.900 0.320 0.000 1.172 390 G CA 1.184 46.382 45.100 0.163 0.000 0.966 390 G HN 1.162 nan 8.290 nan 0.000 0.542 391 D N 0.971 121.520 120.400 0.249 0.000 2.349 391 D HA 0.294 4.934 4.640 -0.000 0.000 0.224 391 D C 0.900 177.465 176.300 0.442 0.000 1.029 391 D CA 1.343 55.540 54.000 0.329 0.000 0.879 391 D CB -0.122 40.772 40.800 0.157 0.000 0.906 391 D HN 0.541 nan 8.370 nan 0.000 0.528 392 T N 1.026 115.739 114.554 0.265 0.000 2.841 392 T HA 0.464 4.814 4.350 -0.000 0.000 0.285 392 T C -0.422 174.175 174.700 -0.172 0.000 0.991 392 T CA -0.777 61.371 62.100 0.081 0.000 0.966 392 T CB 1.733 70.615 68.868 0.023 0.000 0.962 392 T HN -0.062 nan 8.240 nan 0.000 0.438 393 I N 3.282 123.613 120.570 -0.399 0.000 2.530 393 I HA 0.586 4.756 4.170 -0.000 0.000 0.297 393 I C -0.253 175.504 176.117 -0.600 0.000 1.011 393 I CA -1.261 59.623 61.300 -0.693 0.000 1.107 393 I CB 1.845 39.158 38.000 -1.144 0.000 1.285 393 I HN 0.670 nan 8.210 nan 0.000 0.436 394 I N 5.000 125.166 120.570 -0.675 0.000 2.499 394 I HA 0.418 4.588 4.170 -0.000 0.000 0.288 394 I C -1.551 174.200 176.117 -0.610 0.000 1.048 394 I CA -0.481 60.532 61.300 -0.479 0.000 1.062 394 I CB 1.653 39.507 38.000 -0.242 0.000 1.238 394 I HN 0.280 nan 8.210 nan 0.000 0.426 395 F N 7.019 126.874 119.950 -0.158 0.000 2.308 395 F HA 0.516 5.043 4.527 -0.000 0.000 0.370 395 F C 0.409 176.158 175.800 -0.084 0.000 1.100 395 F CA -0.569 57.355 58.000 -0.128 0.000 1.108 395 F CB 0.786 39.700 39.000 -0.143 0.000 1.293 395 F HN 0.231 nan 8.300 nan 0.000 0.478 396 R N 1.652 122.182 120.500 0.050 0.000 2.410 396 R HA 0.163 4.502 4.340 -0.000 0.000 0.288 396 R C -0.173 176.152 176.300 0.042 0.000 1.051 396 R CA -0.661 55.455 56.100 0.027 0.000 1.021 396 R CB 0.544 30.839 30.300 -0.008 0.000 1.032 396 R HN 0.581 nan 8.270 nan 0.000 0.481 397 D N 1.814 122.231 120.400 0.027 0.000 2.735 397 D HA -0.135 4.504 4.640 -0.000 0.000 0.235 397 D C -0.950 175.368 176.300 0.028 0.000 1.175 397 D CA 0.802 54.815 54.000 0.021 0.000 0.683 397 D CB -0.516 40.293 40.800 0.015 0.000 1.008 397 D HN 0.531 nan 8.370 nan 0.000 0.416 398 T N 1.955 116.526 114.554 0.028 0.000 2.829 398 T HA 0.152 4.502 4.350 -0.000 0.000 0.293 398 T C 0.471 175.168 174.700 -0.004 0.000 0.970 398 T CA 0.090 62.197 62.100 0.012 0.000 1.168 398 T CB 1.312 70.170 68.868 -0.016 0.000 0.911 398 T HN 0.232 nan 8.240 nan 0.000 0.535 399 Q N 1.457 121.255 119.800 -0.003 0.000 2.486 399 Q HA 0.524 4.864 4.340 -0.000 0.000 0.274 399 Q C 1.549 177.539 176.000 -0.017 0.000 1.076 399 Q CA -0.983 54.816 55.803 -0.007 0.000 0.872 399 Q CB 0.818 29.558 28.738 0.005 0.000 1.383 399 Q HN 0.561 nan 8.270 nan 0.000 0.478 400 I N -0.332 120.229 120.570 -0.015 0.000 2.182 400 I HA -0.368 3.802 4.170 -0.000 0.000 0.248 400 I C 0.868 176.976 176.117 -0.016 0.000 1.073 400 I CA 1.228 62.517 61.300 -0.019 0.000 1.335 400 I CB -0.878 37.117 38.000 -0.008 0.000 1.031 400 I HN 0.377 nan 8.210 nan 0.000 0.420 401 S N -0.019 115.680 115.700 -0.002 0.000 2.423 401 S HA 0.040 4.509 4.470 -0.000 0.000 0.244 401 S C 1.254 175.856 174.600 0.003 0.000 1.267 401 S CA 0.252 58.458 58.200 0.009 0.000 0.988 401 S CB 0.600 63.812 63.200 0.020 0.000 0.978 401 S HN 0.464 nan 8.310 nan 0.000 0.506 402 S N -0.539 115.175 115.700 0.022 0.000 3.146 402 S HA -0.198 4.272 4.470 -0.000 0.000 0.285 402 S C -0.167 174.434 174.600 0.001 0.000 1.293 402 S CA 0.774 58.990 58.200 0.028 0.000 1.137 402 S CB -1.304 61.905 63.200 0.015 0.000 1.357 402 S HN 0.604 nan 8.310 nan 0.000 0.678 403 R N 1.329 121.825 120.500 -0.007 0.000 2.210 403 R HA 0.707 5.046 4.340 -0.000 0.000 0.338 403 R C 0.217 176.537 176.300 0.032 0.000 1.062 403 R CA 0.539 56.626 56.100 -0.022 0.000 0.902 403 R CB 1.054 31.296 30.300 -0.098 0.000 1.050 403 R HN 0.370 nan 8.270 nan 0.000 0.461 404 A N 2.176 125.036 122.820 0.067 0.000 2.533 404 A HA 0.656 4.976 4.320 -0.000 0.000 0.293 404 A C -1.106 176.548 177.584 0.117 0.000 1.228 404 A CA -0.751 51.305 52.037 0.032 0.000 0.689 404 A CB 1.626 20.545 19.000 -0.136 0.000 1.303 404 A HN 0.334 nan 8.150 nan 0.000 0.444 405 V N 1.293 121.233 119.914 0.043 0.000 2.315 405 V HA 0.298 4.418 4.120 -0.000 0.000 0.265 405 V C -1.171 174.993 176.094 0.117 0.000 1.019 405 V CA -0.417 61.981 62.300 0.163 0.000 0.824 405 V CB -0.595 31.315 31.823 0.146 0.000 1.072 405 V HN 0.641 nan 8.190 nan 0.000 0.448 406 Y N 1.892 122.284 120.300 0.154 0.000 2.550 406 Y HA 0.366 4.916 4.550 -0.000 0.000 0.343 406 Y C 0.778 176.820 175.900 0.236 0.000 1.245 406 Y CA 0.450 58.682 58.100 0.219 0.000 1.462 406 Y CB 0.484 39.104 38.460 0.267 0.000 1.340 406 Y HN 0.508 nan 8.280 nan 0.000 0.604 407 Q N 0.585 120.635 119.800 0.416 0.000 2.387 407 Q HA 0.564 4.904 4.340 -0.000 0.000 0.273 407 Q C -1.419 174.734 176.000 0.256 0.000 1.089 407 Q CA -0.573 55.395 55.803 0.274 0.000 0.824 407 Q CB 2.377 31.205 28.738 0.149 0.000 1.367 407 Q HN 0.723 nan 8.270 nan 0.000 0.443 408 c N 2.488 121.144 118.600 0.094 0.000 2.397 408 c HA 0.620 5.190 4.570 -0.000 0.000 0.325 408 c C -1.269 172.789 174.090 -0.052 0.000 1.201 408 c CA -0.603 55.631 56.329 -0.158 0.000 1.377 408 c CB 0.304 42.681 42.510 -0.222 0.000 2.038 408 c HN 0.806 nan 8.230 nan 0.000 0.457 409 N N 3.086 121.700 118.700 -0.144 0.000 2.476 409 N HA 0.459 5.198 4.740 -0.000 0.000 0.257 409 N C -0.476 174.950 175.510 -0.140 0.000 0.970 409 N CA 0.008 53.011 53.050 -0.077 0.000 0.938 409 N CB 1.413 39.845 38.487 -0.092 0.000 1.144 409 N HN 0.772 nan 8.380 nan 0.000 0.500 410 T N 0.380 114.852 114.554 -0.136 0.000 2.758 410 T HA 0.730 5.079 4.350 -0.000 0.000 0.285 410 T C -0.168 174.461 174.700 -0.117 0.000 0.981 410 T CA -0.786 61.206 62.100 -0.179 0.000 0.965 410 T CB 0.662 69.367 68.868 -0.272 0.000 0.927 410 T HN 0.400 nan 8.240 nan 0.000 0.448 411 S N 2.531 118.185 115.700 -0.076 0.000 2.588 411 S HA 0.788 5.258 4.470 -0.000 0.000 0.275 411 S C -0.985 173.596 174.600 -0.032 0.000 1.130 411 S CA -1.172 57.019 58.200 -0.016 0.000 0.855 411 S CB 1.794 64.999 63.200 0.009 0.000 1.116 411 S HN 1.073 nan 8.310 nan 0.000 0.472 412 N N -0.648 118.047 118.700 -0.009 0.000 3.039 412 N HA 0.322 5.062 4.740 -0.000 0.000 0.257 412 N C 0.403 175.880 175.510 -0.055 0.000 1.497 412 N CA -0.925 52.109 53.050 -0.027 0.000 0.861 412 N CB 1.059 39.543 38.487 -0.005 0.000 1.479 412 N HN 0.657 nan 8.380 nan 0.000 0.547 413 E N -0.264 119.845 120.200 -0.152 0.000 2.197 413 E HA -0.295 4.055 4.350 -0.000 0.000 0.205 413 E C 0.548 176.969 176.600 -0.299 0.000 1.029 413 E CA 2.056 58.280 56.400 -0.293 0.000 0.828 413 E CB -0.226 29.154 29.700 -0.533 0.000 0.737 413 E HN 0.569 nan 8.360 nan 0.000 0.464 414 H N -1.948 117.132 119.070 0.017 0.000 2.551 414 H HA 0.370 4.926 4.556 -0.000 0.000 0.271 414 H C 0.440 175.778 175.328 0.016 0.000 0.984 414 H CA 0.001 56.059 56.048 0.017 0.000 1.164 414 H CB 1.328 31.095 29.762 0.009 0.000 1.437 414 H HN 0.209 nan 8.280 nan 0.000 0.550 415 G N -0.405 108.462 108.800 0.112 0.000 2.320 415 G HA2 0.272 4.232 3.960 -0.000 0.000 0.297 415 G HA3 0.272 4.232 3.960 -0.000 0.000 0.297 415 G C -2.021 172.940 174.900 0.102 0.000 1.344 415 G CA -0.717 44.431 45.100 0.080 0.000 0.851 415 G HN 0.205 nan 8.290 nan 0.000 0.567 416 Y N -1.908 118.351 120.300 -0.068 0.000 2.689 416 Y HA 0.883 5.433 4.550 -0.000 0.000 0.333 416 Y C -1.371 174.431 175.900 -0.163 0.000 1.190 416 Y CA -1.686 56.343 58.100 -0.119 0.000 1.063 416 Y CB 1.610 40.018 38.460 -0.087 0.000 1.294 416 Y HN 0.590 nan 8.280 nan 0.000 0.466 417 L N 3.004 124.155 121.223 -0.121 0.000 2.436 417 L HA 0.467 4.807 4.340 -0.000 0.000 0.268 417 L C -1.497 175.431 176.870 0.096 0.000 0.974 417 L CA -0.957 53.743 54.840 -0.233 0.000 0.826 417 L CB 2.299 43.878 42.059 -0.800 0.000 1.291 417 L HN 0.670 nan 8.230 nan 0.000 0.406 418 L N 3.338 124.705 121.223 0.240 0.000 2.316 418 L HA 0.767 5.107 4.340 -0.000 0.000 0.280 418 L C -0.617 176.438 176.870 0.309 0.000 1.006 418 L CA -0.139 54.866 54.840 0.275 0.000 0.836 418 L CB 1.486 43.700 42.059 0.260 0.000 1.221 418 L HN 0.766 nan 8.230 nan 0.000 0.418 419 A N 5.551 128.562 122.820 0.319 0.000 2.330 419 A HA 0.631 4.950 4.320 -0.000 0.000 0.327 419 A C -0.591 177.072 177.584 0.131 0.000 1.155 419 A CA -0.756 51.403 52.037 0.204 0.000 0.803 419 A CB 0.902 19.960 19.000 0.098 0.000 1.208 419 A HN 0.793 nan 8.150 nan 0.000 0.477 420 N N 0.680 119.430 118.700 0.083 0.000 2.399 420 N HA 0.644 5.384 4.740 -0.000 0.000 0.295 420 N C -0.842 174.704 175.510 0.060 0.000 1.048 420 N CA 0.016 53.123 53.050 0.095 0.000 0.886 420 N CB 2.054 40.590 38.487 0.081 0.000 1.185 420 N HN 0.839 nan 8.380 nan 0.000 0.487 421 A N 2.229 125.111 122.820 0.104 0.000 2.456 421 A HA 0.489 4.809 4.320 -0.000 0.000 0.288 421 A C -0.786 176.845 177.584 0.078 0.000 1.042 421 A CA -0.796 51.233 52.037 -0.013 0.000 0.738 421 A CB 0.327 19.315 19.000 -0.020 0.000 1.266 421 A HN 0.570 nan 8.150 nan 0.000 0.407 422 F N 1.015 121.006 119.950 0.068 0.000 2.380 422 F HA 0.786 5.312 4.527 -0.000 0.000 0.319 422 F C -0.137 175.652 175.800 -0.019 0.000 1.113 422 F CA -1.358 56.675 58.000 0.056 0.000 1.056 422 F CB 1.034 40.047 39.000 0.022 0.000 1.289 422 F HN 0.135 nan 8.300 nan 0.000 0.515 423 V N 2.079 122.147 119.914 0.257 0.000 2.384 423 V HA 0.245 4.365 4.120 -0.000 0.000 0.257 423 V C -0.461 175.640 176.094 0.011 0.000 0.969 423 V CA -0.540 61.749 62.300 -0.018 0.000 0.910 423 V CB -0.180 31.420 31.823 -0.372 0.000 1.150 423 V HN 0.974 nan 8.190 nan 0.000 0.481 424 S N 1.722 117.500 115.700 0.130 0.000 2.545 424 S HA 0.656 5.126 4.470 -0.000 0.000 0.275 424 S C -0.294 174.263 174.600 -0.072 0.000 1.299 424 S CA -0.550 57.623 58.200 -0.045 0.000 1.048 424 S CB 2.116 65.257 63.200 -0.099 0.000 0.938 424 S HN 0.226 nan 8.310 nan 0.000 0.496 425 V N 4.026 123.869 119.914 -0.117 0.000 2.567 425 V HA 0.428 4.548 4.120 -0.000 0.000 0.289 425 V C 0.156 176.196 176.094 -0.090 0.000 1.049 425 V CA -0.756 61.491 62.300 -0.088 0.000 0.969 425 V CB 1.502 33.278 31.823 -0.078 0.000 0.995 425 V HN 0.941 nan 8.190 nan 0.000 0.471 426 L N 0.000 121.187 121.223 -0.060 0.000 2.949 426 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 426 L CA 0.000 54.809 54.840 -0.051 0.000 0.813 426 L CB 0.000 42.039 42.059 -0.033 0.000 0.961 426 L HN 0.000 nan 8.230 nan 0.000 0.502