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 1v35_1_A DATA FIRST_RESID 96 DATA SEQUENCE NEDICFIAGI GDTNGYGWGI AKELSKRNVK IIFGIWPPVY NIFMKNYKNG DATA SEQUENCE KFDNDMIIDK DKKMNILDML PFDASFDTAN DIDEETKNNK RYNMLQNYTI DATA SEQUENCE EDVANLIHQK YGKINMLVHS LANAKEVQKD LLNTSRKGYL DALSKSSYSL DATA SEQUENCE ISLCKYFVNI MKPQSSIISL TYHASQKVVP GYGGGMSSAK AALESDTRVL DATA SEQUENCE AYHLGRNYNI RINTISAGPL KSRAATAINX XXXXXXXXXX XXXXXXXXXX DATA SEQUENCE XXXXXXXXXX XXXXXXXXXX XTFIDYAIEY SEKYAPLRQK LLSTDIGSVA DATA SEQUENCE SFLLSRESRA ITGQTIYVDN GLNIMFLPD 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 96 N HA 0.000 nan 4.740 nan 0.000 0.220 96 N C 0.000 175.511 175.510 0.002 0.000 1.280 96 N CA 0.000 53.050 53.050 0.000 0.000 0.885 96 N CB 0.000 38.489 38.487 0.003 0.000 1.341 97 E N -0.639 119.561 120.200 -0.000 0.000 3.698 97 E HA -0.079 4.271 4.350 -0.000 0.000 0.347 97 E C -0.931 175.672 176.600 0.005 0.000 0.791 97 E CA 0.356 56.759 56.400 0.005 0.000 1.296 97 E CB -2.440 nan 29.700 nan 0.000 1.635 97 E HN 0.802 nan 8.360 nan 0.000 0.382 98 D N -0.271 120.126 120.400 -0.005 0.000 2.232 98 D HA 0.648 5.288 4.640 -0.000 0.000 0.242 98 D C 0.446 176.738 176.300 -0.014 0.000 1.093 98 D CA -0.088 53.909 54.000 -0.006 0.000 0.845 98 D CB 1.130 41.924 40.800 -0.011 0.000 1.124 98 D HN 0.602 nan 8.370 nan 0.000 0.467 99 I N 1.490 122.060 120.570 0.000 0.000 2.498 99 I HA 0.291 4.461 4.170 -0.000 0.000 0.290 99 I C -0.396 175.734 176.117 0.022 0.000 1.032 99 I CA -0.857 60.441 61.300 -0.004 0.000 1.073 99 I CB 2.347 40.355 38.000 0.015 0.000 1.251 99 I HN 0.267 nan 8.210 nan 0.000 0.426 100 C N 6.769 126.075 119.300 0.010 0.000 2.441 100 C HA 0.574 5.034 4.460 -0.000 0.000 0.318 100 C C -0.760 174.283 174.990 0.089 0.000 1.222 100 C CA -0.701 58.339 59.018 0.036 0.000 1.474 100 C CB 0.710 28.443 27.740 -0.011 0.000 2.125 100 C HN 0.732 nan 8.230 nan 0.000 0.479 101 F N 6.701 126.619 119.950 -0.053 0.000 2.415 101 F HA 0.722 5.249 4.527 -0.000 0.000 0.348 101 F C -0.350 175.380 175.800 -0.116 0.000 1.119 101 F CA -0.665 57.291 58.000 -0.074 0.000 1.069 101 F CB 0.717 39.670 39.000 -0.078 0.000 1.124 101 F HN 0.512 nan 8.300 nan 0.000 0.472 102 I N 6.959 127.121 120.570 -0.680 0.000 2.371 102 I HA 0.336 4.506 4.170 -0.000 0.000 0.282 102 I C -0.245 175.295 176.117 -0.960 0.000 1.031 102 I CA -0.694 60.257 61.300 -0.581 0.000 1.180 102 I CB 1.326 39.217 38.000 -0.182 0.000 1.336 102 I HN 0.712 nan 8.210 nan 0.000 0.467 103 A N 5.245 127.469 122.820 -0.992 0.000 2.343 103 A HA 0.670 4.990 4.320 -0.000 0.000 0.305 103 A C 0.760 178.069 177.584 -0.458 0.000 1.308 103 A CA -0.000 51.490 52.037 -0.911 0.000 0.949 103 A CB -0.163 18.345 19.000 -0.819 0.000 1.148 103 A HN 1.063 nan 8.150 nan 0.000 0.545 104 G N 1.941 110.550 108.800 -0.319 0.000 2.766 104 G HA2 0.037 3.997 3.960 -0.000 0.000 0.208 104 G HA3 0.037 3.997 3.960 -0.000 0.000 0.208 104 G C -0.819 173.961 174.900 -0.201 0.000 0.991 104 G CA -0.488 44.496 45.100 -0.194 0.000 1.212 104 G HN 0.778 nan 8.290 nan 0.000 0.617 105 I N 0.668 121.111 120.570 -0.213 0.000 2.571 105 I HA 0.589 4.759 4.170 -0.000 0.000 0.289 105 I C 0.959 176.981 176.117 -0.157 0.000 1.115 105 I CA -0.319 60.827 61.300 -0.257 0.000 1.045 105 I CB 2.179 39.827 38.000 -0.586 0.000 1.238 105 I HN 0.379 nan 8.210 nan 0.000 0.424 106 G N 4.319 113.120 108.800 0.002 0.000 2.989 106 G HA2 0.202 4.162 3.960 -0.000 0.000 0.221 106 G HA3 0.202 4.162 3.960 -0.000 0.000 0.221 106 G C -0.191 174.876 174.900 0.279 0.000 1.050 106 G CA 0.115 45.319 45.100 0.173 0.000 0.913 106 G HN 0.655 nan 8.290 nan 0.000 0.587 107 D N -1.278 119.178 120.400 0.093 0.000 2.838 107 D HA 0.171 4.811 4.640 -0.000 0.000 0.334 107 D C 0.220 176.286 176.300 -0.391 0.000 1.315 107 D CA 0.297 54.214 54.000 -0.138 0.000 0.917 107 D CB 0.421 41.164 40.800 -0.095 0.000 1.435 107 D HN -0.014 nan 8.370 nan 0.000 0.517 108 T N -3.046 111.104 114.554 -0.673 0.000 3.134 108 T HA 0.211 4.561 4.350 -0.000 0.000 0.260 108 T C 0.167 174.556 174.700 -0.517 0.000 1.027 108 T CA -0.329 61.120 62.100 -1.085 0.000 0.913 108 T CB -0.500 67.371 68.868 -1.661 0.000 1.046 108 T HN 0.309 nan 8.240 nan 0.000 0.553 109 N N 1.055 119.594 118.700 -0.268 0.000 2.184 109 N HA 0.237 4.977 4.740 -0.000 0.000 0.206 109 N C 0.874 176.298 175.510 -0.143 0.000 1.151 109 N CA -0.071 52.880 53.050 -0.166 0.000 0.878 109 N CB 1.073 39.474 38.487 -0.143 0.000 1.014 109 N HN 0.567 nan 8.380 nan 0.000 0.512 110 G N -0.588 108.150 108.800 -0.103 0.000 2.613 110 G HA2 0.288 4.248 3.960 -0.000 0.000 0.303 110 G HA3 0.288 4.248 3.960 -0.000 0.000 0.303 110 G C 0.138 174.995 174.900 -0.071 0.000 1.312 110 G CA -0.318 44.703 45.100 -0.132 0.000 1.036 110 G HN -0.067 nan 8.290 nan 0.000 0.513 111 Y N 0.557 120.867 120.300 0.016 0.000 2.242 111 Y HA -0.003 4.546 4.550 -0.000 0.000 0.291 111 Y C 2.926 178.830 175.900 0.007 0.000 1.137 111 Y CA 1.331 59.441 58.100 0.016 0.000 1.181 111 Y CB -0.618 37.842 38.460 0.000 0.000 0.989 111 Y HN 0.515 nan 8.280 nan 0.000 0.527 112 G N -0.360 108.517 108.800 0.128 0.000 2.469 112 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.219 112 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.219 112 G C 1.684 176.592 174.900 0.013 0.000 1.150 112 G CA 0.828 45.931 45.100 0.005 0.000 0.763 112 G HN 0.537 nan 8.290 nan 0.000 0.561 113 W N 1.752 122.983 121.300 -0.116 0.000 2.379 113 W HA -0.060 4.600 4.660 -0.000 0.000 0.307 113 W C 2.451 178.976 176.519 0.010 0.000 1.200 113 W CA 1.511 58.810 57.345 -0.077 0.000 1.297 113 W CB -0.524 28.869 29.460 -0.112 0.000 1.140 113 W HN 0.249 nan 8.180 nan 0.000 0.507 114 G N 1.158 110.076 108.800 0.195 0.000 2.469 114 G HA2 -0.297 3.663 3.960 -0.000 0.000 0.219 114 G HA3 -0.297 3.663 3.960 -0.000 0.000 0.219 114 G C 1.553 176.479 174.900 0.043 0.000 1.150 114 G CA 1.363 46.542 45.100 0.133 0.000 0.763 114 G HN 0.296 nan 8.290 nan 0.000 0.561 115 I N 1.199 121.794 120.570 0.042 0.000 2.252 115 I HA -0.148 4.022 4.170 -0.000 0.000 0.245 115 I C 3.276 179.363 176.117 -0.049 0.000 1.102 115 I CA 0.910 62.213 61.300 0.005 0.000 1.385 115 I CB -0.203 37.800 38.000 0.005 0.000 1.064 115 I HN 0.253 nan 8.210 nan 0.000 0.414 116 A N 0.843 123.602 122.820 -0.101 0.000 1.902 116 A HA -0.204 4.116 4.320 -0.000 0.000 0.217 116 A C 2.322 179.777 177.584 -0.215 0.000 1.181 116 A CA 1.486 53.435 52.037 -0.148 0.000 0.623 116 A CB -0.401 18.514 19.000 -0.142 0.000 0.818 116 A HN 0.300 nan 8.150 nan 0.000 0.443 117 K N -0.449 119.790 120.400 -0.269 0.000 2.032 117 K HA -0.147 4.173 4.320 -0.000 0.000 0.209 117 K C 1.941 178.493 176.600 -0.080 0.000 1.048 117 K CA 1.430 57.609 56.287 -0.181 0.000 0.927 117 K CB -0.188 32.250 32.500 -0.103 0.000 0.712 117 K HN 0.409 nan 8.250 nan 0.000 0.441 118 E N 1.053 121.226 120.200 -0.046 0.000 2.106 118 E HA -0.125 4.225 4.350 -0.000 0.000 0.192 118 E C 2.139 178.726 176.600 -0.022 0.000 0.984 118 E CA 0.819 57.210 56.400 -0.015 0.000 0.806 118 E CB -0.180 29.525 29.700 0.009 0.000 0.750 118 E HN 0.303 nan 8.360 nan 0.000 0.458 119 L N 0.811 122.011 121.223 -0.039 0.000 2.191 119 L HA -0.136 4.204 4.340 -0.000 0.000 0.212 119 L C 2.411 179.251 176.870 -0.050 0.000 1.103 119 L CA 0.678 55.494 54.840 -0.039 0.000 0.769 119 L CB -0.203 41.826 42.059 -0.050 0.000 0.908 119 L HN 0.020 nan 8.230 nan 0.000 0.438 120 S N -0.356 115.303 115.700 -0.068 0.000 2.402 120 S HA -0.140 4.330 4.470 -0.000 0.000 0.229 120 S C 1.858 176.436 174.600 -0.037 0.000 1.021 120 S CA 1.005 59.165 58.200 -0.066 0.000 0.974 120 S CB -0.024 63.126 63.200 -0.084 0.000 0.800 120 S HN 0.378 nan 8.310 nan 0.000 0.484 121 K N 0.655 121.040 120.400 -0.025 0.000 2.209 121 K HA -0.018 4.302 4.320 -0.000 0.000 0.204 121 K C 1.418 178.014 176.600 -0.006 0.000 1.048 121 K CA 0.919 57.201 56.287 -0.009 0.000 0.940 121 K CB -0.062 32.438 32.500 -0.000 0.000 0.729 121 K HN 0.046 nan 8.250 nan 0.000 0.451 122 R N 0.934 121.428 120.500 -0.009 0.000 2.356 122 R HA 0.126 4.466 4.340 -0.000 0.000 0.234 122 R C -0.321 175.971 176.300 -0.012 0.000 0.929 122 R CA 0.002 56.100 56.100 -0.005 0.000 1.084 122 R CB -0.360 29.940 30.300 0.001 0.000 1.105 122 R HN 0.179 nan 8.270 nan 0.000 0.515 123 N N -0.552 118.136 118.700 -0.020 0.000 2.754 123 N HA -0.150 4.589 4.740 -0.000 0.000 0.248 123 N C -1.087 174.403 175.510 -0.033 0.000 1.093 123 N CA 0.769 53.804 53.050 -0.025 0.000 0.699 123 N CB -1.387 37.091 38.487 -0.015 0.000 1.016 123 N HN 0.005 nan 8.380 nan 0.000 0.552 124 V N 0.401 120.289 119.914 -0.043 0.000 2.432 124 V HA 0.486 4.606 4.120 -0.000 0.000 0.275 124 V C 1.067 177.113 176.094 -0.079 0.000 1.043 124 V CA -0.385 61.884 62.300 -0.051 0.000 0.925 124 V CB 1.492 33.288 31.823 -0.045 0.000 0.985 124 V HN 0.361 nan 8.190 nan 0.000 0.466 125 K N 5.551 125.900 120.400 -0.084 0.000 2.379 125 K HA 0.498 4.818 4.320 -0.000 0.000 0.284 125 K C -0.509 175.998 176.600 -0.154 0.000 1.044 125 K CA -0.242 55.968 56.287 -0.128 0.000 0.974 125 K CB 0.198 32.618 32.500 -0.132 0.000 0.962 125 K HN 0.559 nan 8.250 nan 0.000 0.474 126 I N 2.926 123.361 120.570 -0.226 0.000 2.377 126 I HA 0.463 4.633 4.170 -0.000 0.000 0.293 126 I C 0.102 176.000 176.117 -0.365 0.000 0.987 126 I CA -1.483 59.644 61.300 -0.288 0.000 1.185 126 I CB 1.235 38.986 38.000 -0.415 0.000 1.341 126 I HN 0.596 nan 8.210 nan 0.000 0.455 127 I N 6.084 126.531 120.570 -0.204 0.000 2.418 127 I HA 0.362 4.532 4.170 -0.000 0.000 0.287 127 I C -0.516 175.628 176.117 0.045 0.000 1.008 127 I CA -0.415 60.843 61.300 -0.070 0.000 1.104 127 I CB 1.513 39.622 38.000 0.181 0.000 1.264 127 I HN 0.313 nan 8.210 nan 0.000 0.438 128 F N 3.374 123.292 119.950 -0.052 0.000 2.394 128 F HA 0.511 5.038 4.527 -0.000 0.000 0.340 128 F C 1.042 176.760 175.800 -0.136 0.000 1.105 128 F CA -0.863 57.020 58.000 -0.195 0.000 1.124 128 F CB 1.804 40.695 39.000 -0.182 0.000 1.145 128 F HN 0.443 nan 8.300 nan 0.000 0.505 129 G N 4.835 113.501 108.800 -0.223 0.000 2.415 129 G HA2 0.610 4.570 3.960 -0.000 0.000 0.317 129 G HA3 0.610 4.570 3.960 -0.000 0.000 0.317 129 G C -0.978 173.925 174.900 0.006 0.000 1.152 129 G CA -0.463 44.568 45.100 -0.114 0.000 0.956 129 G HN 0.559 nan 8.290 nan 0.000 0.458 130 I N 2.014 122.691 120.570 0.178 0.000 2.378 130 I HA 0.225 4.395 4.170 -0.000 0.000 0.291 130 I C -0.346 175.956 176.117 0.308 0.000 0.992 130 I CA -1.007 60.384 61.300 0.152 0.000 1.154 130 I CB 1.990 40.032 38.000 0.070 0.000 1.315 130 I HN 0.491 nan 8.210 nan 0.000 0.448 131 W N 10.652 132.005 121.300 0.089 0.000 2.505 131 W HA 0.124 4.784 4.660 -0.000 0.000 0.332 131 W C -1.556 174.956 176.519 -0.011 0.000 1.434 131 W CA -1.746 55.633 57.345 0.056 0.000 1.320 131 W CB 0.311 29.796 29.460 0.041 0.000 1.363 131 W HN 0.402 nan 8.180 nan 0.000 0.565 132 P HA -0.284 nan 4.420 nan 0.000 0.219 132 P C -1.108 175.796 177.300 -0.660 0.000 1.158 132 P CA 2.992 65.721 63.100 -0.619 0.000 0.895 132 P CB -1.007 29.955 31.700 -1.229 0.000 0.792 133 P HA -0.117 nan 4.420 nan 0.000 0.218 133 P C 1.463 178.540 177.300 -0.371 0.000 1.146 133 P CA 1.473 64.106 63.100 -0.779 0.000 0.813 133 P CB -0.383 30.528 31.700 -1.315 0.000 0.778 134 V N -6.017 113.770 119.914 -0.210 0.000 3.380 134 V HA 0.213 4.333 4.120 -0.000 0.000 0.307 134 V C 1.678 177.848 176.094 0.127 0.000 1.434 134 V CA -0.355 61.962 62.300 0.028 0.000 1.075 134 V CB -1.314 30.605 31.823 0.160 0.000 0.954 134 V HN -0.013 nan 8.190 nan 0.000 0.444 135 Y N 2.365 122.642 120.300 -0.038 0.000 2.114 135 Y HA -0.157 4.393 4.550 -0.000 0.000 0.284 135 Y C 2.428 178.395 175.900 0.112 0.000 1.143 135 Y CA 2.542 60.657 58.100 0.024 0.000 1.135 135 Y CB -0.107 38.323 38.460 -0.049 0.000 0.980 135 Y HN 0.330 nan 8.280 nan 0.000 0.499 136 N N 0.914 119.617 118.700 0.005 0.000 2.084 136 N HA -0.246 4.494 4.740 -0.000 0.000 0.190 136 N C 2.110 177.604 175.510 -0.027 0.000 1.030 136 N CA 1.795 54.810 53.050 -0.058 0.000 0.849 136 N CB -0.614 37.896 38.487 0.038 0.000 1.012 136 N HN 0.584 nan 8.380 nan 0.000 0.423 137 I N 0.204 120.791 120.570 0.028 0.000 2.208 137 I HA -0.278 3.892 4.170 -0.000 0.000 0.245 137 I C 2.195 178.361 176.117 0.082 0.000 1.097 137 I CA 1.238 62.562 61.300 0.040 0.000 1.363 137 I CB -0.209 37.822 38.000 0.052 0.000 1.051 137 I HN -0.053 nan 8.210 nan 0.000 0.413 138 F N 0.943 120.898 119.950 0.008 0.000 2.095 138 F HA -0.315 4.212 4.527 -0.000 0.000 0.298 138 F C 2.341 178.207 175.800 0.111 0.000 1.104 138 F CA 2.039 60.111 58.000 0.121 0.000 1.232 138 F CB -0.170 38.886 39.000 0.092 0.000 0.987 138 F HN 0.098 nan 8.300 nan 0.000 0.475 139 M N 1.429 121.163 119.600 0.223 0.000 2.159 139 M HA -0.108 4.372 4.480 -0.000 0.000 0.263 139 M C 2.381 178.745 176.300 0.107 0.000 1.063 139 M CA 2.378 57.755 55.300 0.128 0.000 1.110 139 M CB -0.925 31.570 32.600 -0.174 0.000 1.374 139 M HN 0.125 nan 8.290 nan 0.000 0.411 140 K N -0.229 120.178 120.400 0.013 0.000 2.002 140 K HA -0.141 4.179 4.320 -0.000 0.000 0.209 140 K C 1.746 178.270 176.600 -0.127 0.000 1.048 140 K CA 2.194 58.458 56.287 -0.039 0.000 0.930 140 K CB -1.853 30.617 32.500 -0.050 0.000 0.714 140 K HN 0.579 nan 8.250 nan 0.000 0.438 141 N N -0.656 117.900 118.700 -0.239 0.000 2.094 141 N HA -0.149 4.591 4.740 -0.000 0.000 0.191 141 N C 1.701 176.832 175.510 -0.631 0.000 1.023 141 N CA 1.677 54.391 53.050 -0.560 0.000 0.857 141 N CB -0.491 37.431 38.487 -0.942 0.000 1.013 141 N HN 0.607 nan 8.380 nan 0.000 0.426 142 Y N 1.443 121.457 120.300 -0.476 0.000 2.070 142 Y HA -0.283 4.267 4.550 -0.000 0.000 0.280 142 Y C 2.552 178.397 175.900 -0.092 0.000 1.148 142 Y CA 2.747 60.762 58.100 -0.141 0.000 1.125 142 Y CB -0.803 37.770 38.460 0.188 0.000 0.975 142 Y HN 0.106 nan 8.280 nan 0.000 0.492 143 K N 0.577 120.930 120.400 -0.078 0.000 2.152 143 K HA -0.193 4.126 4.320 -0.000 0.000 0.206 143 K C 1.678 178.162 176.600 -0.193 0.000 1.048 143 K CA 2.016 58.221 56.287 -0.136 0.000 0.933 143 K CB -1.464 31.038 32.500 0.003 0.000 0.721 143 K HN 0.788 nan 8.250 nan 0.000 0.447 144 N N -0.775 117.802 118.700 -0.206 0.000 2.461 144 N HA 0.166 4.906 4.740 -0.000 0.000 0.188 144 N C 0.974 176.347 175.510 -0.228 0.000 1.134 144 N CA 0.177 53.109 53.050 -0.197 0.000 0.878 144 N CB 0.278 38.651 38.487 -0.191 0.000 0.972 144 N HN 0.599 nan 8.380 nan 0.000 0.456 145 G N 0.638 109.267 108.800 -0.285 0.000 2.168 145 G HA2 -0.426 3.534 3.960 -0.000 0.000 0.263 145 G HA3 -0.426 3.534 3.960 -0.000 0.000 0.263 145 G C 1.123 175.874 174.900 -0.248 0.000 0.977 145 G CA 0.853 45.808 45.100 -0.242 0.000 0.659 145 G HN 0.506 nan 8.290 nan 0.000 0.533 146 K N -0.649 119.510 120.400 -0.402 0.000 2.360 146 K HA 0.337 4.657 4.320 -0.000 0.000 0.201 146 K C 1.665 178.054 176.600 -0.350 0.000 1.046 146 K CA 1.893 57.914 56.287 -0.444 0.000 0.945 146 K CB -0.517 31.596 32.500 -0.645 0.000 0.750 146 K HN 0.647 nan 8.250 nan 0.000 0.464 147 F N 0.821 120.690 119.950 -0.136 0.000 2.678 147 F HA 0.193 4.720 4.527 -0.000 0.000 0.305 147 F C 1.380 177.184 175.800 0.007 0.000 1.090 147 F CA -1.209 56.721 58.000 -0.116 0.000 1.272 147 F CB 0.266 39.209 39.000 -0.096 0.000 1.060 147 F HN 0.120 nan 8.300 nan 0.000 0.576 148 D N 0.927 121.395 120.400 0.114 0.000 2.133 148 D HA -0.227 4.413 4.640 -0.000 0.000 0.192 148 D C 1.587 177.961 176.300 0.124 0.000 1.001 148 D CA 1.622 55.681 54.000 0.098 0.000 0.844 148 D CB -0.237 40.568 40.800 0.009 0.000 0.944 148 D HN 0.239 nan 8.370 nan 0.000 0.447 149 N N 0.752 119.506 118.700 0.091 0.000 2.244 149 N HA -0.091 4.649 4.740 -0.000 0.000 0.183 149 N C 1.060 176.654 175.510 0.140 0.000 1.016 149 N CA 0.741 53.844 53.050 0.088 0.000 0.866 149 N CB -0.034 38.481 38.487 0.048 0.000 0.980 149 N HN 0.211 nan 8.380 nan 0.000 0.430 150 D N -0.335 120.175 120.400 0.184 0.000 2.347 150 D HA 0.002 4.642 4.640 -0.000 0.000 0.215 150 D C 1.090 177.705 176.300 0.525 0.000 0.976 150 D CA 0.604 54.774 54.000 0.284 0.000 0.884 150 D CB 0.101 40.935 40.800 0.057 0.000 0.915 150 D HN 0.426 nan 8.370 nan 0.000 0.526 151 M N 0.219 120.070 119.600 0.419 0.000 2.428 151 M HA 0.090 4.570 4.480 -0.000 0.000 0.239 151 M C 0.337 176.748 176.300 0.186 0.000 1.121 151 M CA 0.041 55.551 55.300 0.350 0.000 1.019 151 M CB 1.018 33.828 32.600 0.350 0.000 1.485 151 M HN -0.205 nan 8.290 nan 0.000 0.484 152 I N 2.236 122.902 120.570 0.160 0.000 2.588 152 I HA 0.170 4.340 4.170 -0.000 0.000 0.283 152 I C -0.103 176.065 176.117 0.085 0.000 1.119 152 I CA 0.299 61.659 61.300 0.101 0.000 1.419 152 I CB 0.110 38.160 38.000 0.084 0.000 1.394 152 I HN 0.134 nan 8.210 nan 0.000 0.562 153 I N 3.325 123.929 120.570 0.056 0.000 2.569 153 I HA 0.366 4.536 4.170 -0.000 0.000 0.290 153 I C 0.455 176.590 176.117 0.030 0.000 1.088 153 I CA -0.382 60.942 61.300 0.040 0.000 1.047 153 I CB 1.660 39.673 38.000 0.022 0.000 1.237 153 I HN 0.824 nan 8.210 nan 0.000 0.421 154 D N 3.091 123.507 120.400 0.028 0.000 3.347 154 D HA -0.232 4.408 4.640 -0.000 0.000 0.234 154 D C 1.050 177.363 176.300 0.022 0.000 1.753 154 D CA 1.895 55.908 54.000 0.022 0.000 1.103 154 D CB -0.585 40.224 40.800 0.016 0.000 0.762 154 D HN 0.882 nan 8.370 nan 0.000 0.910 155 K N -1.020 119.391 120.400 0.017 0.000 2.046 155 K HA 0.461 4.781 4.320 -0.000 0.000 0.197 155 K C 2.194 178.805 176.600 0.018 0.000 1.038 155 K CA 2.485 58.781 56.287 0.016 0.000 1.022 155 K CB -1.311 31.197 32.500 0.013 0.000 1.283 155 K HN 2.117 nan 8.250 nan 0.000 0.496 156 D N 0.778 121.187 120.400 0.015 0.000 2.688 156 D HA 0.476 5.116 4.640 -0.000 0.000 0.228 156 D C 0.050 176.360 176.300 0.016 0.000 1.116 156 D CA 0.532 54.541 54.000 0.016 0.000 1.023 156 D CB -1.175 nan 40.800 nan 0.000 1.100 156 D HN 0.807 nan 8.370 nan 0.000 0.487 157 K N 0.966 121.378 120.400 0.020 0.000 2.535 157 K HA 0.668 4.988 4.320 -0.000 0.000 0.250 157 K C -0.532 176.084 176.600 0.026 0.000 0.948 157 K CA -0.943 55.355 56.287 0.018 0.000 0.796 157 K CB 1.602 34.109 32.500 0.012 0.000 1.216 157 K HN 0.452 nan 8.250 nan 0.000 0.432 158 K N 2.637 123.053 120.400 0.027 0.000 2.203 158 K HA 0.571 4.891 4.320 -0.000 0.000 0.251 158 K C -0.076 176.539 176.600 0.025 0.000 0.944 158 K CA -0.784 55.528 56.287 0.042 0.000 0.829 158 K CB 1.585 34.117 32.500 0.053 0.000 1.125 158 K HN 0.777 nan 8.250 nan 0.000 0.430 159 M N 2.759 122.376 119.600 0.028 0.000 2.260 159 M HA -0.034 4.446 4.480 -0.000 0.000 0.348 159 M C -0.261 176.020 176.300 -0.033 0.000 1.342 159 M CA 1.019 56.301 55.300 -0.029 0.000 1.040 159 M CB -0.012 32.550 32.600 -0.064 0.000 1.810 159 M HN 0.785 nan 8.290 nan 0.000 0.453 160 N N 7.127 125.779 118.700 -0.080 0.000 2.678 160 N HA 0.451 5.191 4.740 -0.000 0.000 0.231 160 N C -0.894 174.517 175.510 -0.166 0.000 1.038 160 N CA -0.450 52.548 53.050 -0.086 0.000 0.932 160 N CB -0.107 38.335 38.487 -0.075 0.000 1.176 160 N HN 0.718 nan 8.380 nan 0.000 0.511 161 I N 2.441 122.911 120.570 -0.168 0.000 2.291 161 I HA 0.113 4.283 4.170 -0.000 0.000 0.292 161 I C 1.491 177.470 176.117 -0.230 0.000 1.064 161 I CA -0.295 60.822 61.300 -0.304 0.000 1.269 161 I CB 1.339 39.148 38.000 -0.318 0.000 1.418 161 I HN 0.552 nan 8.210 nan 0.000 0.485 162 L N 4.412 125.463 121.223 -0.287 0.000 2.017 162 L HA -0.055 4.285 4.340 -0.000 0.000 0.208 162 L C 0.553 177.275 176.870 -0.247 0.000 1.073 162 L CA 1.845 56.501 54.840 -0.307 0.000 0.745 162 L CB 0.166 41.931 42.059 -0.489 0.000 0.894 162 L HN 0.714 nan 8.230 nan 0.000 0.432 163 D N -2.228 118.039 120.400 -0.222 0.000 2.692 163 D HA 0.382 5.022 4.640 -0.000 0.000 0.290 163 D C -1.309 174.977 176.300 -0.023 0.000 1.281 163 D CA -0.419 53.552 54.000 -0.049 0.000 0.804 163 D CB 1.697 42.556 40.800 0.099 0.000 1.331 163 D HN -0.107 nan 8.370 nan 0.000 0.432 164 M N 2.041 121.703 119.600 0.102 0.000 2.149 164 M HA 0.396 4.876 4.480 -0.000 0.000 0.273 164 M C -1.223 175.264 176.300 0.311 0.000 0.972 164 M CA -0.478 54.936 55.300 0.190 0.000 0.984 164 M CB 1.965 34.651 32.600 0.142 0.000 1.699 164 M HN 0.139 nan 8.290 nan 0.000 0.462 165 L N 4.528 125.933 121.223 0.303 0.000 2.342 165 L HA 0.722 5.062 4.340 -0.000 0.000 0.271 165 L C -2.226 174.730 176.870 0.144 0.000 1.008 165 L CA -2.011 52.962 54.840 0.221 0.000 0.818 165 L CB 1.899 44.104 42.059 0.244 0.000 1.296 165 L HN 0.352 nan 8.230 nan 0.000 0.427 166 P HA 0.114 nan 4.420 nan 0.000 0.271 166 P C -1.230 176.220 177.300 0.250 0.000 1.216 166 P CA 0.145 63.129 63.100 -0.193 0.000 0.771 166 P CB 0.751 32.142 31.700 -0.515 0.000 0.864 167 F N 2.462 122.504 119.950 0.153 0.000 2.605 167 F HA 0.352 4.879 4.527 -0.000 0.000 0.320 167 F C -1.698 174.306 175.800 0.341 0.000 1.159 167 F CA -0.651 57.523 58.000 0.290 0.000 0.999 167 F CB 1.883 41.087 39.000 0.339 0.000 1.258 167 F HN 0.114 nan 8.300 nan 0.000 0.464 168 D N 4.749 125.036 120.400 -0.189 0.000 2.469 168 D HA 0.409 5.049 4.640 -0.000 0.000 0.251 168 D C 0.390 176.468 176.300 -0.370 0.000 1.173 168 D CA -0.024 53.978 54.000 0.004 0.000 0.882 168 D CB 2.141 43.215 40.800 0.456 0.000 1.129 168 D HN 0.746 nan 8.370 nan 0.000 0.549 169 A N 2.509 125.082 122.820 -0.413 0.000 2.248 169 A HA -0.083 4.237 4.320 -0.000 0.000 0.210 169 A C 1.664 179.177 177.584 -0.120 0.000 1.174 169 A CA 1.196 53.084 52.037 -0.248 0.000 0.750 169 A CB -0.213 18.790 19.000 0.004 0.000 0.780 169 A HN 0.469 nan 8.150 nan 0.000 0.478 170 S N -1.620 113.934 115.700 -0.242 0.000 2.575 170 S HA 0.365 4.835 4.470 -0.000 0.000 0.215 170 S C -0.162 174.158 174.600 -0.468 0.000 0.966 170 S CA -0.400 57.580 58.200 -0.367 0.000 0.911 170 S CB -0.312 62.568 63.200 -0.533 0.000 0.780 170 S HN 0.185 nan 8.310 nan 0.000 0.514 171 F N 2.048 122.033 119.950 0.057 0.000 2.460 171 F HA 0.508 5.035 4.527 -0.000 0.000 0.341 171 F C 0.622 176.435 175.800 0.021 0.000 1.130 171 F CA -1.671 56.362 58.000 0.055 0.000 0.962 171 F CB 1.541 40.596 39.000 0.092 0.000 1.171 171 F HN -0.091 nan 8.300 nan 0.000 0.436 172 D N 0.592 121.120 120.400 0.213 0.000 2.120 172 D HA -0.022 4.618 4.640 -0.000 0.000 0.202 172 D C 1.058 177.298 176.300 -0.100 0.000 0.972 172 D CA 1.480 55.545 54.000 0.109 0.000 0.837 172 D CB 0.303 41.258 40.800 0.258 0.000 0.989 172 D HN 0.568 nan 8.370 nan 0.000 0.469 173 T N -3.666 110.877 114.554 -0.018 0.000 2.838 173 T HA 0.628 4.978 4.350 -0.000 0.000 0.292 173 T C 1.048 175.701 174.700 -0.078 0.000 1.113 173 T CA -0.240 61.803 62.100 -0.095 0.000 1.008 173 T CB 1.979 70.817 68.868 -0.050 0.000 1.259 173 T HN -0.098 nan 8.240 nan 0.000 0.520 174 A N 1.099 123.843 122.820 -0.127 0.000 1.948 174 A HA -0.125 4.195 4.320 -0.000 0.000 0.220 174 A C 2.133 179.644 177.584 -0.122 0.000 1.177 174 A CA 1.712 53.650 52.037 -0.165 0.000 0.636 174 A CB -1.222 17.686 19.000 -0.154 0.000 0.815 174 A HN 0.841 nan 8.150 nan 0.000 0.449 175 N N 0.459 119.121 118.700 -0.064 0.000 2.364 175 N HA -0.120 4.620 4.740 -0.000 0.000 0.183 175 N C 0.611 176.113 175.510 -0.013 0.000 1.022 175 N CA 1.365 54.394 53.050 -0.034 0.000 0.883 175 N CB -0.328 38.155 38.487 -0.007 0.000 0.965 175 N HN 0.501 nan 8.380 nan 0.000 0.438 176 D N 0.716 121.126 120.400 0.017 0.000 2.347 176 D HA 0.042 4.682 4.640 -0.000 0.000 0.215 176 D C 0.649 176.994 176.300 0.075 0.000 0.976 176 D CA 0.150 54.212 54.000 0.103 0.000 0.884 176 D CB 0.507 41.440 40.800 0.222 0.000 0.915 176 D HN 0.289 nan 8.370 nan 0.000 0.526 177 I N 3.895 124.376 120.570 -0.148 0.000 2.494 177 I HA -0.050 4.120 4.170 -0.000 0.000 0.289 177 I C 1.130 177.154 176.117 -0.155 0.000 1.106 177 I CA -0.247 60.834 61.300 -0.365 0.000 1.369 177 I CB 0.369 38.105 38.000 -0.440 0.000 1.410 177 I HN -0.057 nan 8.210 nan 0.000 0.523 178 D N 5.579 125.932 120.400 -0.078 0.000 2.414 178 D HA 0.104 4.744 4.640 -0.000 0.000 0.259 178 D C 0.947 177.213 176.300 -0.057 0.000 1.269 178 D CA -0.041 53.943 54.000 -0.025 0.000 1.028 178 D CB 0.682 41.504 40.800 0.035 0.000 1.093 178 D HN 0.522 nan 8.370 nan 0.000 0.545 179 E N -0.958 119.223 120.200 -0.032 0.000 2.076 179 E HA -0.056 4.294 4.350 -0.000 0.000 0.190 179 E C 2.164 178.741 176.600 -0.038 0.000 0.979 179 E CA 1.780 58.160 56.400 -0.034 0.000 0.807 179 E CB -1.584 nan 29.700 nan 0.000 0.761 179 E HN 0.726 nan 8.360 nan 0.000 0.454 180 E N 0.520 120.702 120.200 -0.030 0.000 2.209 180 E HA -0.153 4.197 4.350 -0.000 0.000 0.196 180 E C 2.236 178.790 176.600 -0.076 0.000 0.993 180 E CA 1.881 58.261 56.400 -0.033 0.000 0.819 180 E CB -1.131 28.561 29.700 -0.014 0.000 0.745 180 E HN 0.584 nan 8.360 nan 0.000 0.477 181 T N -0.561 113.917 114.554 -0.126 0.000 2.953 181 T HA 0.176 4.526 4.350 -0.000 0.000 0.247 181 T C 2.570 177.148 174.700 -0.203 0.000 1.029 181 T CA 1.678 63.603 62.100 -0.292 0.000 1.144 181 T CB -0.161 68.480 68.868 -0.380 0.000 0.870 181 T HN 0.597 nan 8.240 nan 0.000 0.446 182 K N 1.498 121.826 120.400 -0.120 0.000 2.211 182 K HA -0.056 4.264 4.320 -0.000 0.000 0.204 182 K C 1.980 178.577 176.600 -0.006 0.000 1.047 182 K CA 1.940 58.204 56.287 -0.039 0.000 0.935 182 K CB -1.950 30.519 32.500 -0.052 0.000 0.728 182 K HN 0.664 nan 8.250 nan 0.000 0.452 183 N N 1.029 119.716 118.700 -0.022 0.000 2.392 183 N HA -0.029 4.711 4.740 -0.000 0.000 0.177 183 N C 0.987 176.503 175.510 0.010 0.000 1.066 183 N CA 0.183 53.232 53.050 -0.003 0.000 0.895 183 N CB -0.242 38.240 38.487 -0.008 0.000 0.988 183 N HN 0.615 nan 8.380 nan 0.000 0.457 184 N N 0.881 119.582 118.700 0.001 0.000 2.454 184 N HA 0.044 4.784 4.740 -0.000 0.000 0.254 184 N C 1.494 177.054 175.510 0.083 0.000 1.228 184 N CA 0.784 53.855 53.050 0.034 0.000 0.900 184 N CB 1.062 39.557 38.487 0.013 0.000 1.089 184 N HN 0.550 nan 8.380 nan 0.000 0.449 185 K N 3.884 124.324 120.400 0.065 0.000 1.991 185 K HA -0.210 4.109 4.320 -0.000 0.000 0.212 185 K C 2.449 179.083 176.600 0.058 0.000 1.049 185 K CA 2.493 58.812 56.287 0.053 0.000 0.932 185 K CB -1.555 30.964 32.500 0.032 0.000 0.717 185 K HN 0.812 nan 8.250 nan 0.000 0.441 186 R N -0.165 120.367 120.500 0.054 0.000 2.170 186 R HA -0.111 4.229 4.340 -0.000 0.000 0.242 186 R C 2.361 178.589 176.300 -0.120 0.000 1.145 186 R CA 2.132 58.206 56.100 -0.043 0.000 0.984 186 R CB -1.289 nan 30.300 nan 0.000 0.869 186 R HN 0.806 nan 8.270 nan 0.000 0.455 187 Y N -0.464 119.767 120.300 -0.116 0.000 2.396 187 Y HA 0.071 4.621 4.550 -0.000 0.000 0.292 187 Y C 3.172 179.070 175.900 -0.003 0.000 1.128 187 Y CA 0.675 58.695 58.100 -0.133 0.000 1.194 187 Y CB -0.739 37.605 38.460 -0.193 0.000 1.124 187 Y HN 0.484 nan 8.280 nan 0.000 0.543 188 N N 0.694 119.496 118.700 0.169 0.000 2.133 188 N HA -0.246 4.494 4.740 -0.000 0.000 0.193 188 N C 1.566 177.129 175.510 0.088 0.000 1.012 188 N CA 2.233 55.349 53.050 0.110 0.000 0.871 188 N CB -0.744 37.785 38.487 0.070 0.000 1.011 188 N HN 0.154 nan 8.380 nan 0.000 0.435 189 M N -0.424 119.217 119.600 0.069 0.000 2.492 189 M HA 0.327 4.807 4.480 -0.000 0.000 0.262 189 M C 0.574 176.911 176.300 0.062 0.000 1.090 189 M CA 0.307 55.641 55.300 0.057 0.000 1.110 189 M CB -0.689 31.941 32.600 0.050 0.000 1.407 189 M HN 0.350 nan 8.290 nan 0.000 0.470 190 L N 0.538 121.806 121.223 0.074 0.000 2.365 190 L HA 0.410 4.750 4.340 -0.000 0.000 0.267 190 L C 0.227 177.200 176.870 0.172 0.000 1.033 190 L CA -0.721 54.169 54.840 0.083 0.000 0.802 190 L CB 1.258 43.318 42.059 0.002 0.000 1.267 190 L HN 0.166 nan 8.230 nan 0.000 0.457 191 Q N -0.208 119.663 119.800 0.118 0.000 2.482 191 Q HA 0.354 4.694 4.340 -0.000 0.000 0.286 191 Q C -1.161 174.791 176.000 -0.078 0.000 1.007 191 Q CA -0.951 54.847 55.803 -0.009 0.000 0.801 191 Q CB 1.802 30.521 28.738 -0.031 0.000 1.455 191 Q HN 0.586 nan 8.270 nan 0.000 0.398 192 N N 0.509 119.060 118.700 -0.248 0.000 2.727 192 N HA -0.202 4.538 4.740 -0.000 0.000 0.251 192 N C -0.768 174.686 175.510 -0.094 0.000 1.040 192 N CA 1.433 54.366 53.050 -0.194 0.000 0.712 192 N CB -1.410 37.026 38.487 -0.086 0.000 0.912 192 N HN 0.772 nan 8.380 nan 0.000 0.545 193 Y N -2.212 118.094 120.300 0.010 0.000 2.531 193 Y HA 0.311 4.861 4.550 -0.000 0.000 0.249 193 Y C 1.128 177.060 175.900 0.053 0.000 1.168 193 Y CA -0.276 57.858 58.100 0.058 0.000 1.226 193 Y CB -0.446 38.043 38.460 0.048 0.000 1.177 193 Y HN 0.091 nan 8.280 nan 0.000 0.527 194 T N -2.250 112.294 114.554 -0.015 0.000 2.874 194 T HA 0.323 4.673 4.350 -0.000 0.000 0.281 194 T C 1.286 176.002 174.700 0.027 0.000 0.994 194 T CA -0.503 61.623 62.100 0.043 0.000 1.015 194 T CB 1.286 70.113 68.868 -0.067 0.000 1.028 194 T HN 0.274 nan 8.240 nan 0.000 0.523 195 I N 0.500 121.081 120.570 0.018 0.000 2.151 195 I HA -0.190 3.980 4.170 -0.000 0.000 0.243 195 I C 2.886 179.016 176.117 0.022 0.000 1.080 195 I CA 2.015 63.430 61.300 0.191 0.000 1.339 195 I CB -0.418 37.721 38.000 0.231 0.000 1.039 195 I HN 0.903 nan 8.210 nan 0.000 0.409 196 E N 0.957 120.930 120.200 -0.377 0.000 2.077 196 E HA -0.258 4.092 4.350 -0.000 0.000 0.193 196 E C 1.649 178.112 176.600 -0.228 0.000 0.989 196 E CA 1.517 57.628 56.400 -0.483 0.000 0.800 196 E CB 0.043 29.314 29.700 -0.716 0.000 0.746 196 E HN 0.428 nan 8.360 nan 0.000 0.452 197 D N 0.164 120.466 120.400 -0.163 0.000 2.144 197 D HA -0.134 4.506 4.640 -0.000 0.000 0.199 197 D C 2.072 178.328 176.300 -0.073 0.000 0.984 197 D CA 0.934 54.864 54.000 -0.118 0.000 0.834 197 D CB -0.066 40.654 40.800 -0.133 0.000 0.955 197 D HN 0.138 nan 8.370 nan 0.000 0.465 198 V N 1.457 121.374 119.914 0.006 0.000 2.358 198 V HA -0.191 3.929 4.120 -0.000 0.000 0.246 198 V C 2.555 178.561 176.094 -0.148 0.000 1.047 198 V CA 1.640 63.967 62.300 0.045 0.000 1.035 198 V CB -0.725 31.288 31.823 0.317 0.000 0.658 198 V HN 0.165 nan 8.190 nan 0.000 0.452 199 A N 0.486 123.094 122.820 -0.353 0.000 1.902 199 A HA -0.208 4.111 4.320 -0.000 0.000 0.217 199 A C 2.081 179.455 177.584 -0.351 0.000 1.181 199 A CA 1.967 53.551 52.037 -0.755 0.000 0.623 199 A CB -0.588 17.729 19.000 -1.140 0.000 0.818 199 A HN 0.587 nan 8.150 nan 0.000 0.443 200 N N -0.304 118.269 118.700 -0.212 0.000 2.171 200 N HA -0.099 4.641 4.740 -0.000 0.000 0.184 200 N C 1.592 177.066 175.510 -0.060 0.000 1.021 200 N CA 1.294 54.288 53.050 -0.093 0.000 0.854 200 N CB -0.518 37.923 38.487 -0.077 0.000 0.994 200 N HN 0.392 nan 8.380 nan 0.000 0.426 201 L N 1.520 122.694 121.223 -0.082 0.000 2.017 201 L HA 0.008 4.348 4.340 -0.000 0.000 0.208 201 L C 1.998 178.822 176.870 -0.076 0.000 1.073 201 L CA 1.246 56.044 54.840 -0.071 0.000 0.745 201 L CB -0.545 41.489 42.059 -0.041 0.000 0.894 201 L HN 0.087 nan 8.230 nan 0.000 0.432 202 I N -1.296 119.243 120.570 -0.051 0.000 2.179 202 I HA -0.339 3.831 4.170 -0.000 0.000 0.242 202 I C 2.560 178.694 176.117 0.029 0.000 1.088 202 I CA 1.599 62.916 61.300 0.029 0.000 1.357 202 I CB -0.611 37.392 38.000 0.004 0.000 1.051 202 I HN 0.460 nan 8.210 nan 0.000 0.409 203 H N 0.876 119.881 119.070 -0.109 0.000 2.387 203 H HA -0.236 4.320 4.556 -0.000 0.000 0.299 203 H C 2.261 177.526 175.328 -0.105 0.000 1.090 203 H CA 1.853 57.846 56.048 -0.093 0.000 1.332 203 H CB 0.191 29.883 29.762 -0.117 0.000 1.386 203 H HN 0.413 nan 8.280 nan 0.000 0.516 204 Q N 0.604 120.306 119.800 -0.164 0.000 2.119 204 Q HA -0.108 4.232 4.340 -0.000 0.000 0.201 204 Q C 1.863 177.688 176.000 -0.291 0.000 0.972 204 Q CA 1.295 56.959 55.803 -0.232 0.000 0.847 204 Q CB 0.258 28.909 28.738 -0.146 0.000 0.903 204 Q HN 0.432 nan 8.270 nan 0.000 0.433 205 K N -1.118 119.045 120.400 -0.394 0.000 2.168 205 K HA -0.025 4.295 4.320 -0.000 0.000 0.201 205 K C 0.957 177.096 176.600 -0.767 0.000 1.049 205 K CA 0.913 56.785 56.287 -0.690 0.000 0.974 205 K CB 0.330 32.155 32.500 -1.124 0.000 0.792 205 K HN 0.267 nan 8.250 nan 0.000 0.463 206 Y N -0.102 120.168 120.300 -0.050 0.000 2.500 206 Y HA 0.263 4.813 4.550 -0.000 0.000 0.246 206 Y C 0.935 176.812 175.900 -0.038 0.000 1.146 206 Y CA -0.248 57.832 58.100 -0.034 0.000 1.230 206 Y CB 1.295 39.750 38.460 -0.008 0.000 1.214 206 Y HN 0.191 nan 8.280 nan 0.000 0.526 207 G N 1.340 110.133 108.800 -0.012 0.000 2.568 207 G HA2 -0.225 3.735 3.960 -0.000 0.000 0.222 207 G HA3 -0.225 3.735 3.960 -0.000 0.000 0.222 207 G C -0.709 174.291 174.900 0.166 0.000 1.321 207 G CA -0.911 44.180 45.100 -0.015 0.000 0.893 207 G HN 0.146 nan 8.290 nan 0.000 0.569 208 K N 0.401 120.912 120.400 0.184 0.000 2.185 208 K HA 0.594 4.914 4.320 -0.000 0.000 0.271 208 K C 0.898 177.569 176.600 0.118 0.000 1.013 208 K CA 0.119 56.512 56.287 0.176 0.000 0.943 208 K CB 1.224 33.803 32.500 0.132 0.000 0.998 208 K HN 0.700 nan 8.250 nan 0.000 0.468 209 I N -0.774 119.862 120.570 0.110 0.000 3.100 209 I HA 0.379 4.549 4.170 -0.000 0.000 0.312 209 I C 0.167 176.329 176.117 0.074 0.000 1.063 209 I CA -0.848 60.511 61.300 0.098 0.000 1.031 209 I CB 1.670 39.751 38.000 0.134 0.000 1.243 209 I HN 0.616 nan 8.210 nan 0.000 0.483 210 N N 1.868 120.603 118.700 0.058 0.000 2.167 210 N HA 0.297 5.037 4.740 -0.000 0.000 0.234 210 N C -0.827 174.699 175.510 0.026 0.000 1.312 210 N CA -0.198 52.874 53.050 0.037 0.000 0.861 210 N CB 0.733 39.233 38.487 0.022 0.000 1.217 210 N HN 0.719 nan 8.380 nan 0.000 0.504 211 M N 1.205 120.828 119.600 0.038 0.000 2.271 211 M HA 0.397 4.877 4.480 -0.000 0.000 0.285 211 M C -2.042 174.279 176.300 0.034 0.000 1.059 211 M CA -0.732 54.579 55.300 0.019 0.000 0.940 211 M CB 3.028 35.629 32.600 0.002 0.000 1.636 211 M HN -0.014 nan 8.290 nan 0.000 0.460 212 L N 4.014 125.240 121.223 0.006 0.000 2.410 212 L HA 0.813 5.153 4.340 -0.000 0.000 0.270 212 L C -1.689 175.151 176.870 -0.050 0.000 0.983 212 L CA -0.568 54.263 54.840 -0.016 0.000 0.822 212 L CB 2.243 44.281 42.059 -0.035 0.000 1.285 212 L HN 0.507 nan 8.230 nan 0.000 0.409 213 V N 4.573 124.430 119.914 -0.095 0.000 2.444 213 V HA 0.381 4.501 4.120 -0.000 0.000 0.294 213 V C -0.822 175.204 176.094 -0.114 0.000 1.022 213 V CA -0.618 61.627 62.300 -0.092 0.000 0.850 213 V CB 1.438 33.197 31.823 -0.107 0.000 0.992 213 V HN 0.768 nan 8.190 nan 0.000 0.426 214 H N 3.921 122.909 119.070 -0.136 0.000 2.641 214 H HA 0.460 5.016 4.556 -0.000 0.000 0.295 214 H C -0.530 174.742 175.328 -0.093 0.000 1.070 214 H CA 0.023 56.001 56.048 -0.117 0.000 1.257 214 H CB 1.564 31.280 29.762 -0.077 0.000 1.393 214 H HN 0.597 nan 8.280 nan 0.000 0.464 215 S N 7.200 122.775 115.700 -0.209 0.000 2.128 215 S HA 0.375 4.845 4.470 -0.000 0.000 0.157 215 S C -1.420 173.084 174.600 -0.161 0.000 1.650 215 S CA -0.732 57.407 58.200 -0.102 0.000 1.269 215 S CB -1.102 62.053 63.200 -0.076 0.000 1.227 215 S HN 0.603 nan 8.310 nan 0.000 0.405 216 L N 0.401 121.497 121.223 -0.212 0.000 2.472 216 L HA 1.094 5.434 4.340 -0.000 0.000 0.260 216 L C -0.834 175.989 176.870 -0.078 0.000 0.963 216 L CA -0.943 53.789 54.840 -0.180 0.000 0.829 216 L CB 1.338 43.240 42.059 -0.261 0.000 1.348 216 L HN 0.219 nan 8.230 nan 0.000 0.408 217 A N 1.983 124.755 122.820 -0.080 0.000 2.515 217 A HA 0.878 5.198 4.320 -0.000 0.000 0.298 217 A C -1.407 176.099 177.584 -0.130 0.000 1.059 217 A CA -0.451 51.555 52.037 -0.052 0.000 0.698 217 A CB 1.734 20.738 19.000 0.007 0.000 1.289 217 A HN 0.971 nan 8.150 nan 0.000 0.404 218 N N -0.053 118.567 118.700 -0.133 0.000 2.600 218 N HA 0.535 5.275 4.740 -0.000 0.000 0.272 218 N C -1.329 174.099 175.510 -0.136 0.000 1.095 218 N CA -0.025 52.920 53.050 -0.175 0.000 0.993 218 N CB 1.498 39.823 38.487 -0.269 0.000 1.603 218 N HN 1.104 nan 8.380 nan 0.000 0.526 219 A N 2.340 125.085 122.820 -0.125 0.000 2.411 219 A HA 0.569 4.889 4.320 -0.000 0.000 0.285 219 A C 0.680 178.216 177.584 -0.080 0.000 1.129 219 A CA -0.267 51.704 52.037 -0.109 0.000 0.736 219 A CB 1.103 20.019 19.000 -0.141 0.000 1.186 219 A HN 0.799 nan 8.150 nan 0.000 0.445 220 K N 1.307 121.675 120.400 -0.053 0.000 2.211 220 K HA -0.087 4.232 4.320 -0.000 0.000 0.204 220 K C 0.746 177.333 176.600 -0.021 0.000 1.047 220 K CA 2.159 58.431 56.287 -0.025 0.000 0.935 220 K CB -0.375 32.121 32.500 -0.007 0.000 0.728 220 K HN 0.809 nan 8.250 nan 0.000 0.452 221 E N -0.225 119.958 120.200 -0.029 0.000 2.736 221 E HA 0.138 4.488 4.350 -0.000 0.000 0.208 221 E C 0.912 177.484 176.600 -0.048 0.000 0.996 221 E CA -0.169 56.217 56.400 -0.024 0.000 1.104 221 E CB 0.725 30.423 29.700 -0.004 0.000 1.111 221 E HN 0.180 nan 8.360 nan 0.000 0.455 222 V N 0.878 120.746 119.914 -0.077 0.000 2.828 222 V HA -0.325 3.795 4.120 -0.000 0.000 0.260 222 V C 2.178 178.209 176.094 -0.106 0.000 1.101 222 V CA 2.751 64.976 62.300 -0.126 0.000 1.123 222 V CB -0.058 31.672 31.823 -0.154 0.000 0.704 222 V HN 0.527 nan 8.190 nan 0.000 0.493 223 Q N -0.366 119.398 119.800 -0.060 0.000 2.331 223 Q HA 0.050 4.390 4.340 -0.000 0.000 0.203 223 Q C 1.385 177.361 176.000 -0.040 0.000 0.944 223 Q CA 1.026 56.803 55.803 -0.042 0.000 0.892 223 Q CB -0.291 28.437 28.738 -0.017 0.000 0.983 223 Q HN 0.747 nan 8.270 nan 0.000 0.482 224 K N 2.320 122.699 120.400 -0.036 0.000 2.144 224 K HA 0.351 4.671 4.320 -0.000 0.000 0.270 224 K C -0.780 175.802 176.600 -0.030 0.000 1.005 224 K CA -0.367 55.905 56.287 -0.025 0.000 0.932 224 K CB 0.991 33.483 32.500 -0.012 0.000 1.021 224 K HN 0.610 nan 8.250 nan 0.000 0.462 225 D N 1.308 121.695 120.400 -0.021 0.000 2.357 225 D HA -0.069 4.571 4.640 -0.000 0.000 0.242 225 D C 0.970 177.270 176.300 0.000 0.000 1.153 225 D CA -0.513 53.477 54.000 -0.017 0.000 0.918 225 D CB 0.574 41.367 40.800 -0.012 0.000 1.181 225 D HN 0.276 nan 8.370 nan 0.000 0.435 226 L N 1.031 122.262 121.223 0.014 0.000 2.051 226 L HA -0.169 4.171 4.340 -0.000 0.000 0.214 226 L C 2.106 178.987 176.870 0.019 0.000 1.076 226 L CA 1.612 56.475 54.840 0.040 0.000 0.758 226 L CB -0.634 41.460 42.059 0.058 0.000 0.890 226 L HN 0.654 nan 8.230 nan 0.000 0.433 227 L N -0.591 120.635 121.223 0.004 0.000 2.187 227 L HA -0.220 4.120 4.340 -0.000 0.000 0.213 227 L C 1.232 178.095 176.870 -0.012 0.000 1.100 227 L CA 1.262 56.096 54.840 -0.009 0.000 0.765 227 L CB -0.321 41.733 42.059 -0.008 0.000 0.904 227 L HN 0.486 nan 8.230 nan 0.000 0.437 228 N N -1.072 117.625 118.700 -0.006 0.000 2.214 228 N HA 0.062 4.802 4.740 -0.000 0.000 0.214 228 N C -0.123 175.387 175.510 -0.000 0.000 1.132 228 N CA 0.106 53.152 53.050 -0.006 0.000 0.856 228 N CB 0.556 39.040 38.487 -0.005 0.000 1.020 228 N HN 0.117 nan 8.380 nan 0.000 0.509 229 T N 1.074 115.633 114.554 0.009 0.000 2.817 229 T HA 0.172 4.522 4.350 -0.000 0.000 0.293 229 T C 0.889 175.600 174.700 0.019 0.000 0.964 229 T CA -0.401 61.717 62.100 0.029 0.000 1.085 229 T CB 1.238 70.152 68.868 0.077 0.000 0.921 229 T HN 0.174 nan 8.240 nan 0.000 0.502 230 S N 3.178 118.892 115.700 0.024 0.000 2.624 230 S HA 0.240 4.710 4.470 -0.000 0.000 0.263 230 S C 1.419 176.037 174.600 0.031 0.000 1.287 230 S CA -0.806 57.402 58.200 0.013 0.000 0.990 230 S CB 0.896 64.105 63.200 0.014 0.000 0.950 230 S HN 0.773 nan 8.310 nan 0.000 0.561 231 R N 0.879 121.383 120.500 0.007 0.000 2.081 231 R HA -0.091 4.248 4.340 -0.000 0.000 0.235 231 R C 2.584 178.928 176.300 0.073 0.000 1.131 231 R CA 1.813 57.924 56.100 0.018 0.000 0.960 231 R CB -1.078 29.217 30.300 -0.009 0.000 0.856 231 R HN 0.825 nan 8.270 nan 0.000 0.436 232 K N 0.002 120.431 120.400 0.048 0.000 2.057 232 K HA -0.037 4.282 4.320 -0.000 0.000 0.207 232 K C 2.136 178.769 176.600 0.055 0.000 1.049 232 K CA 1.585 57.899 56.287 0.044 0.000 0.931 232 K CB -1.606 30.910 32.500 0.026 0.000 0.714 232 K HN 0.556 nan 8.250 nan 0.000 0.440 233 G N -0.933 107.903 108.800 0.060 0.000 2.408 233 G HA2 -0.200 3.760 3.960 -0.000 0.000 0.217 233 G HA3 -0.200 3.760 3.960 -0.000 0.000 0.217 233 G C 1.687 176.634 174.900 0.078 0.000 1.150 233 G CA 1.091 46.222 45.100 0.051 0.000 0.776 233 G HN 0.638 nan 8.290 nan 0.000 0.542 234 Y N 1.090 121.378 120.300 -0.019 0.000 2.114 234 Y HA -0.063 4.487 4.550 -0.000 0.000 0.284 234 Y C 2.636 178.529 175.900 -0.012 0.000 1.143 234 Y CA 1.504 59.594 58.100 -0.016 0.000 1.135 234 Y CB -0.177 38.276 38.460 -0.011 0.000 0.980 234 Y HN 0.086 nan 8.280 nan 0.000 0.499 235 L N -0.089 121.235 121.223 0.168 0.000 2.131 235 L HA -0.204 4.136 4.340 -0.000 0.000 0.210 235 L C 2.070 178.931 176.870 -0.015 0.000 1.092 235 L CA 1.733 56.611 54.840 0.064 0.000 0.759 235 L CB -0.641 41.470 42.059 0.086 0.000 0.903 235 L HN 0.288 nan 8.230 nan 0.000 0.435 236 D N 0.142 120.534 120.400 -0.012 0.000 2.117 236 D HA -0.170 4.470 4.640 -0.000 0.000 0.197 236 D C 2.185 178.446 176.300 -0.065 0.000 0.987 236 D CA 1.305 55.284 54.000 -0.036 0.000 0.829 236 D CB 0.185 40.969 40.800 -0.025 0.000 0.961 236 D HN 0.243 nan 8.370 nan 0.000 0.460 237 A N 0.323 123.088 122.820 -0.091 0.000 1.877 237 A HA -0.099 4.221 4.320 -0.000 0.000 0.216 237 A C 2.210 179.720 177.584 -0.124 0.000 1.186 237 A CA 0.892 52.854 52.037 -0.124 0.000 0.620 237 A CB -0.747 18.152 19.000 -0.169 0.000 0.822 237 A HN 0.333 nan 8.150 nan 0.000 0.443 238 L N -0.270 120.852 121.223 -0.168 0.000 2.093 238 L HA -0.110 4.230 4.340 -0.000 0.000 0.208 238 L C 2.833 179.699 176.870 -0.005 0.000 1.085 238 L CA 2.138 56.908 54.840 -0.116 0.000 0.755 238 L CB -1.296 40.667 42.059 -0.160 0.000 0.904 238 L HN 0.539 nan 8.230 nan 0.000 0.435 239 S N -0.201 115.496 115.700 -0.006 0.000 2.356 239 S HA -0.180 4.290 4.470 -0.000 0.000 0.223 239 S C 1.935 176.574 174.600 0.066 0.000 1.032 239 S CA 1.325 59.550 58.200 0.041 0.000 1.005 239 S CB 0.126 63.316 63.200 -0.018 0.000 0.867 239 S HN 0.399 nan 8.310 nan 0.000 0.449 240 K N 0.263 120.661 120.400 -0.003 0.000 2.186 240 K HA 0.157 4.476 4.320 -0.000 0.000 0.202 240 K C 2.138 178.753 176.600 0.026 0.000 1.052 240 K CA 1.220 57.494 56.287 -0.022 0.000 0.965 240 K CB -0.045 32.392 32.500 -0.105 0.000 0.746 240 K HN 0.266 nan 8.250 nan 0.000 0.457 241 S N -0.058 115.659 115.700 0.028 0.000 2.483 241 S HA 0.080 4.550 4.470 -0.000 0.000 0.221 241 S C 1.653 176.316 174.600 0.104 0.000 1.030 241 S CA 0.290 58.535 58.200 0.077 0.000 0.925 241 S CB 0.461 63.674 63.200 0.021 0.000 0.795 241 S HN 0.109 nan 8.310 nan 0.000 0.511 242 S N 0.090 115.828 115.700 0.063 0.000 2.811 242 S HA 0.197 4.666 4.470 -0.000 0.000 0.237 242 S C 1.444 176.066 174.600 0.037 0.000 1.038 242 S CA -0.193 58.021 58.200 0.023 0.000 0.881 242 S CB -0.655 62.554 63.200 0.016 0.000 0.815 242 S HN 0.466 nan 8.310 nan 0.000 0.582 243 Y N 3.933 124.242 120.300 0.014 0.000 2.207 243 Y HA -0.221 4.329 4.550 -0.000 0.000 0.287 243 Y C 2.569 178.517 175.900 0.080 0.000 1.156 243 Y CA 1.515 59.636 58.100 0.036 0.000 1.182 243 Y CB -0.623 37.857 38.460 0.034 0.000 0.979 243 Y HN 0.384 nan 8.280 nan 0.000 0.521 244 S N -0.031 115.737 115.700 0.114 0.000 2.420 244 S HA -0.264 4.205 4.470 -0.000 0.000 0.237 244 S C 2.080 176.752 174.600 0.120 0.000 1.023 244 S CA 1.513 59.809 58.200 0.159 0.000 0.991 244 S CB -1.059 62.306 63.200 0.274 0.000 0.792 244 S HN 0.623 nan 8.310 nan 0.000 0.488 245 L N 0.779 121.972 121.223 -0.050 0.000 2.027 245 L HA 0.011 4.351 4.340 -0.000 0.000 0.206 245 L C 2.474 179.249 176.870 -0.158 0.000 1.074 245 L CA 1.622 56.333 54.840 -0.215 0.000 0.745 245 L CB -0.419 41.367 42.059 -0.455 0.000 0.898 245 L HN 0.347 nan 8.230 nan 0.000 0.433 246 I N -0.822 119.583 120.570 -0.275 0.000 2.163 246 I HA -0.340 3.830 4.170 -0.000 0.000 0.243 246 I C 2.806 178.764 176.117 -0.266 0.000 1.085 246 I CA 1.527 62.648 61.300 -0.298 0.000 1.347 246 I CB -0.402 37.334 38.000 -0.440 0.000 1.044 246 I HN 0.266 nan 8.210 nan 0.000 0.408 247 S N 0.909 116.377 115.700 -0.387 0.000 2.356 247 S HA -0.156 4.314 4.470 -0.000 0.000 0.223 247 S C 2.112 176.859 174.600 0.244 0.000 1.032 247 S CA 1.289 59.477 58.200 -0.020 0.000 1.005 247 S CB -0.337 62.936 63.200 0.122 0.000 0.867 247 S HN 0.318 nan 8.310 nan 0.000 0.449 248 L N 0.658 122.011 121.223 0.217 0.000 2.042 248 L HA -0.197 4.143 4.340 -0.000 0.000 0.210 248 L C 2.729 179.762 176.870 0.272 0.000 1.076 248 L CA 1.522 56.538 54.840 0.293 0.000 0.749 248 L CB -0.649 41.494 42.059 0.141 0.000 0.893 248 L HN 0.496 nan 8.230 nan 0.000 0.432 249 C N -0.739 118.624 119.300 0.106 0.000 2.446 249 C HA -0.171 4.289 4.460 -0.000 0.000 0.277 249 C C 2.832 177.837 174.990 0.024 0.000 1.275 249 C CA 0.759 59.810 59.018 0.055 0.000 1.727 249 C CB -0.666 27.069 27.740 -0.008 0.000 2.010 249 C HN 0.463 nan 8.230 nan 0.000 0.486 250 K N -0.213 120.169 120.400 -0.029 0.000 2.032 250 K HA -0.194 4.126 4.320 -0.000 0.000 0.209 250 K C 1.738 178.186 176.600 -0.253 0.000 1.048 250 K CA 1.965 58.139 56.287 -0.188 0.000 0.927 250 K CB -0.331 31.984 32.500 -0.308 0.000 0.712 250 K HN 0.620 nan 8.250 nan 0.000 0.441 251 Y N -1.183 119.171 120.300 0.090 0.000 2.420 251 Y HA -0.006 4.544 4.550 -0.000 0.000 0.292 251 Y C 1.733 177.579 175.900 -0.090 0.000 1.119 251 Y CA 0.588 58.699 58.100 0.020 0.000 1.229 251 Y CB 0.130 38.625 38.460 0.059 0.000 1.026 251 Y HN 0.011 nan 8.280 nan 0.000 0.554 252 F N -1.245 118.741 119.950 0.060 0.000 2.569 252 F HA -0.094 4.433 4.527 -0.000 0.000 0.295 252 F C 2.235 177.971 175.800 -0.107 0.000 1.115 252 F CA 0.509 58.500 58.000 -0.015 0.000 1.450 252 F CB -0.312 38.698 39.000 0.017 0.000 1.107 252 F HN -0.103 nan 8.300 nan 0.000 0.563 253 V N -1.713 118.174 119.914 -0.046 0.000 2.688 253 V HA -0.257 3.863 4.120 -0.000 0.000 0.256 253 V C 1.873 177.812 176.094 -0.258 0.000 1.084 253 V CA 1.928 64.077 62.300 -0.252 0.000 1.103 253 V CB -0.819 30.635 31.823 -0.615 0.000 0.688 253 V HN 0.331 nan 8.190 nan 0.000 0.480 254 N N 1.732 120.305 118.700 -0.212 0.000 2.244 254 N HA 0.007 4.747 4.740 -0.000 0.000 0.183 254 N C 1.659 177.016 175.510 -0.256 0.000 1.016 254 N CA 2.141 55.066 53.050 -0.209 0.000 0.866 254 N CB -0.161 38.209 38.487 -0.196 0.000 0.980 254 N HN 0.858 nan 8.380 nan 0.000 0.430 255 I N -2.894 117.521 120.570 -0.259 0.000 3.914 255 I HA 0.316 4.486 4.170 -0.000 0.000 0.333 255 I C 0.009 176.087 176.117 -0.065 0.000 1.449 255 I CA -0.128 61.014 61.300 -0.264 0.000 1.135 255 I CB 0.021 37.836 38.000 -0.307 0.000 1.073 255 I HN -0.194 nan 8.210 nan 0.000 0.401 256 M N 1.372 120.942 119.600 -0.051 0.000 2.537 256 M HA 0.487 4.967 4.480 -0.000 0.000 0.324 256 M C -0.297 176.002 176.300 -0.003 0.000 1.187 256 M CA -0.500 54.801 55.300 0.002 0.000 0.993 256 M CB 2.154 34.757 32.600 0.006 0.000 1.666 256 M HN 0.016 nan 8.290 nan 0.000 0.461 257 K N 1.368 121.780 120.400 0.020 0.000 2.087 257 K HA 0.478 4.798 4.320 -0.000 0.000 0.255 257 K C -2.519 174.096 176.600 0.025 0.000 0.988 257 K CA -1.649 54.653 56.287 0.024 0.000 0.915 257 K CB 0.228 32.745 32.500 0.028 0.000 1.043 257 K HN 0.240 nan 8.250 nan 0.000 0.457 258 P HA -0.027 nan 4.420 nan 0.000 0.269 258 P C -0.860 176.456 177.300 0.027 0.000 1.215 258 P CA 0.233 63.359 63.100 0.044 0.000 0.780 258 P CB 0.446 32.173 31.700 0.044 0.000 0.898 259 Q N -2.211 117.604 119.800 0.025 0.000 2.489 259 Q HA -0.146 4.194 4.340 -0.000 0.000 0.259 259 Q C -0.247 175.752 176.000 -0.000 0.000 0.934 259 Q CA 0.418 56.226 55.803 0.008 0.000 1.131 259 Q CB -2.369 26.370 28.738 0.002 0.000 1.472 259 Q HN 0.400 nan 8.270 nan 0.000 0.560 260 S N -0.185 115.519 115.700 0.006 0.000 2.632 260 S HA 0.526 4.996 4.470 -0.000 0.000 0.267 260 S C 0.031 174.625 174.600 -0.011 0.000 1.276 260 S CA -0.386 57.814 58.200 0.000 0.000 0.998 260 S CB 1.872 65.078 63.200 0.010 0.000 0.953 260 S HN 0.300 nan 8.310 nan 0.000 0.547 261 S N 0.320 116.009 115.700 -0.019 0.000 2.542 261 S HA 0.751 5.221 4.470 -0.000 0.000 0.293 261 S C -1.177 173.407 174.600 -0.027 0.000 1.089 261 S CA -0.719 57.461 58.200 -0.033 0.000 0.961 261 S CB 0.329 63.493 63.200 -0.060 0.000 1.062 261 S HN 0.537 nan 8.310 nan 0.000 0.483 262 I N 4.611 125.162 120.570 -0.030 0.000 2.647 262 I HA 0.629 4.799 4.170 -0.000 0.000 0.295 262 I C -0.626 175.468 176.117 -0.038 0.000 1.078 262 I CA -0.955 60.327 61.300 -0.030 0.000 1.048 262 I CB 1.996 39.981 38.000 -0.025 0.000 1.239 262 I HN 0.698 nan 8.210 nan 0.000 0.421 263 I N 1.583 122.131 120.570 -0.036 0.000 2.994 263 I HA 0.838 5.008 4.170 -0.000 0.000 0.306 263 I C -0.686 175.417 176.117 -0.025 0.000 1.195 263 I CA -0.384 60.892 61.300 -0.040 0.000 1.001 263 I CB 2.469 40.442 38.000 -0.044 0.000 1.244 263 I HN 0.636 nan 8.210 nan 0.000 0.437 264 S N 3.727 119.407 115.700 -0.034 0.000 2.685 264 S HA 0.794 5.264 4.470 -0.000 0.000 0.282 264 S C -1.126 173.459 174.600 -0.025 0.000 1.159 264 S CA -0.936 57.267 58.200 0.005 0.000 0.833 264 S CB 1.878 65.032 63.200 -0.076 0.000 1.151 264 S HN 0.722 nan 8.310 nan 0.000 0.485 265 L N 1.050 122.278 121.223 0.009 0.000 2.329 265 L HA 0.781 5.120 4.340 -0.000 0.000 0.279 265 L C 0.137 177.007 176.870 0.000 0.000 1.014 265 L CA -0.311 54.500 54.840 -0.049 0.000 0.814 265 L CB 2.104 44.113 42.059 -0.083 0.000 1.257 265 L HN 0.921 nan 8.230 nan 0.000 0.424 266 T N 0.573 115.112 114.554 -0.026 0.000 2.831 266 T HA 0.587 4.937 4.350 -0.000 0.000 0.287 266 T C -1.898 172.864 174.700 0.104 0.000 1.070 266 T CA -0.319 61.803 62.100 0.036 0.000 1.010 266 T CB 1.548 70.402 68.868 -0.023 0.000 1.264 266 T HN 0.373 nan 8.240 nan 0.000 0.532 267 Y N 0.279 120.562 120.300 -0.028 0.000 2.512 267 Y HA 0.451 5.001 4.550 -0.000 0.000 0.348 267 Y C 0.785 176.683 175.900 -0.003 0.000 0.990 267 Y CA -1.074 57.001 58.100 -0.042 0.000 1.033 267 Y CB 1.608 39.998 38.460 -0.117 0.000 1.259 267 Y HN 0.919 nan 8.280 nan 0.000 0.461 268 H N 3.399 122.046 119.070 -0.705 0.000 2.541 268 H HA -0.012 4.544 4.556 -0.000 0.000 0.289 268 H C 1.666 176.698 175.328 -0.494 0.000 1.054 268 H CA 1.580 57.355 56.048 -0.456 0.000 1.250 268 H CB 0.079 29.673 29.762 -0.279 0.000 1.369 268 H HN 0.715 nan 8.280 nan 0.000 0.578 269 A N -0.365 121.993 122.820 -0.770 0.000 2.178 269 A HA -0.149 4.171 4.320 -0.000 0.000 0.218 269 A C 2.478 179.950 177.584 -0.187 0.000 1.157 269 A CA 1.373 53.168 52.037 -0.403 0.000 0.689 269 A CB -0.661 18.137 19.000 -0.338 0.000 0.787 269 A HN 0.610 nan 8.150 nan 0.000 0.465 270 S N -1.299 114.303 115.700 -0.163 0.000 2.436 270 S HA -0.094 4.376 4.470 -0.000 0.000 0.228 270 S C 1.692 176.224 174.600 -0.112 0.000 1.014 270 S CA 0.995 59.156 58.200 -0.066 0.000 0.950 270 S CB -0.100 63.088 63.200 -0.020 0.000 0.784 270 S HN 0.570 nan 8.310 nan 0.000 0.504 271 Q N 0.423 120.077 119.800 -0.243 0.000 2.394 271 Q HA 0.387 4.727 4.340 -0.000 0.000 0.218 271 Q C 0.029 175.856 176.000 -0.290 0.000 0.907 271 Q CA 0.755 56.407 55.803 -0.252 0.000 0.919 271 Q CB 0.200 28.779 28.738 -0.266 0.000 1.051 271 Q HN 0.393 nan 8.270 nan 0.000 0.538 272 K N 0.538 120.686 120.400 -0.420 0.000 2.395 272 K HA 0.448 4.768 4.320 -0.000 0.000 0.247 272 K C -0.623 175.880 176.600 -0.160 0.000 0.973 272 K CA -0.956 55.178 56.287 -0.255 0.000 0.828 272 K CB 2.521 34.867 32.500 -0.258 0.000 1.272 272 K HN -0.219 nan 8.250 nan 0.000 0.439 273 V N 1.811 121.686 119.914 -0.066 0.000 2.470 273 V HA 0.133 4.253 4.120 -0.000 0.000 0.276 273 V C -0.007 176.093 176.094 0.009 0.000 1.040 273 V CA -0.502 61.787 62.300 -0.018 0.000 1.008 273 V CB 0.889 32.717 31.823 0.007 0.000 0.990 273 V HN 0.341 nan 8.190 nan 0.000 0.477 274 V N 8.029 127.966 119.914 0.038 0.000 2.305 274 V HA 0.305 4.425 4.120 -0.000 0.000 0.275 274 V C -2.327 173.816 176.094 0.081 0.000 1.020 274 V CA -1.713 60.651 62.300 0.106 0.000 0.811 274 V CB 1.544 33.474 31.823 0.178 0.000 1.031 274 V HN 0.736 nan 8.190 nan 0.000 0.439 275 P HA 0.313 nan 4.420 nan 0.000 0.268 275 P C 1.070 178.344 177.300 -0.044 0.000 1.205 275 P CA 1.370 64.481 63.100 0.019 0.000 0.771 275 P CB 0.959 32.681 31.700 0.037 0.000 0.858 276 G N 1.967 110.685 108.800 -0.137 0.000 2.279 276 G HA2 -0.288 3.671 3.960 -0.000 0.000 0.223 276 G HA3 -0.288 3.671 3.960 -0.000 0.000 0.223 276 G C -0.055 174.478 174.900 -0.612 0.000 1.015 276 G CA -0.393 44.485 45.100 -0.370 0.000 0.621 276 G HN 0.519 nan 8.290 nan 0.000 0.506 277 Y N 3.293 123.251 120.300 -0.569 0.000 2.817 277 Y HA 0.560 5.110 4.550 -0.000 0.000 0.339 277 Y C 1.142 176.950 175.900 -0.154 0.000 1.281 277 Y CA 0.024 57.897 58.100 -0.379 0.000 1.564 277 Y CB -0.086 38.303 38.460 -0.117 0.000 1.628 277 Y HN 0.388 nan 8.280 nan 0.000 0.489 278 G N 0.334 109.005 108.800 -0.213 0.000 2.641 278 G HA2 0.428 4.388 3.960 -0.000 0.000 0.239 278 G HA3 0.428 4.388 3.960 -0.000 0.000 0.239 278 G C 0.839 175.646 174.900 -0.154 0.000 1.402 278 G CA -0.406 44.616 45.100 -0.130 0.000 1.046 278 G HN 0.950 nan 8.290 nan 0.000 0.565 279 G N -2.196 106.561 108.800 -0.072 0.000 2.168 279 G HA2 0.211 4.171 3.960 -0.000 0.000 0.263 279 G HA3 0.211 4.171 3.960 -0.000 0.000 0.263 279 G C 1.493 176.373 174.900 -0.034 0.000 0.977 279 G CA 1.300 46.368 45.100 -0.052 0.000 0.659 279 G HN 2.522 nan 8.290 nan 0.000 0.533 280 G N -1.743 107.050 108.800 -0.012 0.000 2.157 280 G HA2 -0.199 3.761 3.960 -0.000 0.000 0.239 280 G HA3 -0.199 3.761 3.960 -0.000 0.000 0.239 280 G C 1.149 175.967 174.900 -0.138 0.000 0.982 280 G CA 0.998 46.065 45.100 -0.054 0.000 0.650 280 G HN 0.614 nan 8.290 nan 0.000 0.527 281 M N 1.671 121.181 119.600 -0.150 0.000 2.175 281 M HA -0.032 4.448 4.480 -0.000 0.000 0.264 281 M C 2.821 179.178 176.300 0.094 0.000 1.063 281 M CA 2.295 57.496 55.300 -0.165 0.000 1.119 281 M CB -1.181 31.077 32.600 -0.570 0.000 1.377 281 M HN 0.725 nan 8.290 nan 0.000 0.415 282 S N -0.697 115.118 115.700 0.192 0.000 2.383 282 S HA -0.072 4.398 4.470 -0.000 0.000 0.227 282 S C 2.024 176.702 174.600 0.130 0.000 1.026 282 S CA 1.467 59.844 58.200 0.295 0.000 0.981 282 S CB -0.590 62.765 63.200 0.259 0.000 0.818 282 S HN 0.415 nan 8.310 nan 0.000 0.472 283 S N 2.811 118.547 115.700 0.060 0.000 2.368 283 S HA 0.095 4.565 4.470 -0.000 0.000 0.225 283 S C 2.346 176.921 174.600 -0.043 0.000 1.030 283 S CA 1.030 59.236 58.200 0.010 0.000 0.999 283 S CB -0.902 62.265 63.200 -0.055 0.000 0.844 283 S HN 0.785 nan 8.310 nan 0.000 0.459 284 A N 1.936 124.707 122.820 -0.082 0.000 1.933 284 A HA -0.102 4.218 4.320 -0.000 0.000 0.218 284 A C 2.066 179.657 177.584 0.011 0.000 1.175 284 A CA 1.230 53.231 52.037 -0.060 0.000 0.628 284 A CB -0.290 18.668 19.000 -0.070 0.000 0.814 284 A HN 0.211 nan 8.150 nan 0.000 0.444 285 K N -0.117 120.324 120.400 0.070 0.000 2.155 285 K HA 0.092 4.412 4.320 -0.000 0.000 0.203 285 K C 2.195 178.818 176.600 0.040 0.000 1.052 285 K CA 1.187 57.525 56.287 0.084 0.000 0.948 285 K CB -0.765 31.834 32.500 0.166 0.000 0.728 285 K HN 0.440 nan 8.250 nan 0.000 0.448 286 A N 1.398 124.240 122.820 0.036 0.000 1.898 286 A HA -0.046 4.274 4.320 -0.000 0.000 0.216 286 A C 2.381 179.973 177.584 0.013 0.000 1.181 286 A CA 1.935 53.985 52.037 0.020 0.000 0.620 286 A CB -0.504 18.512 19.000 0.027 0.000 0.819 286 A HN 0.269 nan 8.150 nan 0.000 0.442 287 A N -0.598 122.228 122.820 0.011 0.000 1.929 287 A HA 0.045 4.365 4.320 -0.000 0.000 0.216 287 A C 2.126 179.708 177.584 -0.003 0.000 1.176 287 A CA 1.501 53.544 52.037 0.010 0.000 0.628 287 A CB -0.597 18.409 19.000 0.010 0.000 0.816 287 A HN 0.592 nan 8.150 nan 0.000 0.444 288 L N 0.132 121.346 121.223 -0.014 0.000 1.989 288 L HA -0.209 4.131 4.340 -0.000 0.000 0.211 288 L C 2.292 179.138 176.870 -0.040 0.000 1.071 288 L CA 2.503 57.317 54.840 -0.044 0.000 0.749 288 L CB -0.485 41.546 42.059 -0.046 0.000 0.890 288 L HN 0.519 nan 8.230 nan 0.000 0.431 289 E N -1.347 118.838 120.200 -0.024 0.000 2.110 289 E HA -0.228 4.122 4.350 -0.000 0.000 0.193 289 E C 2.267 178.859 176.600 -0.013 0.000 0.988 289 E CA 1.319 57.705 56.400 -0.023 0.000 0.804 289 E CB -0.178 29.513 29.700 -0.015 0.000 0.745 289 E HN 0.543 nan 8.360 nan 0.000 0.458 290 S N 0.604 116.302 115.700 -0.004 0.000 2.371 290 S HA -0.143 4.327 4.470 -0.000 0.000 0.224 290 S C 1.449 176.052 174.600 0.004 0.000 1.029 290 S CA 1.205 59.406 58.200 0.002 0.000 0.978 290 S CB -0.105 63.100 63.200 0.009 0.000 0.833 290 S HN 0.144 nan 8.310 nan 0.000 0.466 291 D N 0.806 121.207 120.400 0.002 0.000 2.219 291 D HA -0.025 4.615 4.640 -0.000 0.000 0.205 291 D C 1.912 178.213 176.300 0.003 0.000 0.970 291 D CA 1.112 55.117 54.000 0.009 0.000 0.851 291 D CB -0.773 40.023 40.800 -0.006 0.000 0.943 291 D HN 0.388 nan 8.370 nan 0.000 0.488 292 T N 0.646 115.190 114.554 -0.018 0.000 2.788 292 T HA -0.097 4.253 4.350 -0.000 0.000 0.268 292 T C 1.993 176.695 174.700 0.003 0.000 1.044 292 T CA 0.826 62.914 62.100 -0.020 0.000 1.139 292 T CB 0.135 68.981 68.868 -0.036 0.000 0.867 292 T HN 0.164 nan 8.240 nan 0.000 0.454 293 R N 0.240 120.743 120.500 0.006 0.000 2.062 293 R HA -0.011 4.329 4.340 -0.000 0.000 0.231 293 R C 2.549 178.864 176.300 0.025 0.000 1.136 293 R CA 1.048 57.155 56.100 0.011 0.000 0.948 293 R CB -0.695 29.605 30.300 -0.000 0.000 0.845 293 R HN 0.233 nan 8.270 nan 0.000 0.430 294 V N 1.753 121.683 119.914 0.026 0.000 2.343 294 V HA -0.237 3.882 4.120 -0.000 0.000 0.247 294 V C 2.354 178.517 176.094 0.114 0.000 1.051 294 V CA 1.657 63.980 62.300 0.040 0.000 1.036 294 V CB -0.478 31.392 31.823 0.077 0.000 0.654 294 V HN 0.296 nan 8.190 nan 0.000 0.451 295 L N 0.025 121.324 121.223 0.126 0.000 2.131 295 L HA -0.155 4.185 4.340 -0.000 0.000 0.210 295 L C 2.712 179.649 176.870 0.113 0.000 1.092 295 L CA 1.384 56.314 54.840 0.149 0.000 0.759 295 L CB -0.720 41.383 42.059 0.074 0.000 0.903 295 L HN 0.376 nan 8.230 nan 0.000 0.435 296 A N -0.615 122.247 122.820 0.071 0.000 1.933 296 A HA -0.294 4.026 4.320 -0.000 0.000 0.218 296 A C 2.159 179.774 177.584 0.052 0.000 1.175 296 A CA 1.655 53.723 52.037 0.051 0.000 0.628 296 A CB -0.826 18.196 19.000 0.037 0.000 0.814 296 A HN 0.506 nan 8.150 nan 0.000 0.444 297 Y N -0.011 120.239 120.300 -0.083 0.000 2.133 297 Y HA -0.258 4.292 4.550 -0.000 0.000 0.287 297 Y C 2.623 178.449 175.900 -0.123 0.000 1.134 297 Y CA 2.288 60.299 58.100 -0.148 0.000 1.133 297 Y CB -0.351 37.947 38.460 -0.271 0.000 0.987 297 Y HN 0.458 nan 8.280 nan 0.000 0.502 298 H N 0.099 119.178 119.070 0.016 0.000 2.321 298 H HA -0.127 4.429 4.556 -0.000 0.000 0.300 298 H C 2.400 177.705 175.328 -0.039 0.000 1.087 298 H CA 2.001 58.012 56.048 -0.061 0.000 1.319 298 H CB -0.568 29.251 29.762 0.095 0.000 1.379 298 H HN 0.398 nan 8.280 nan 0.000 0.501 299 L N -0.164 121.164 121.223 0.176 0.000 2.141 299 L HA -0.040 4.300 4.340 -0.000 0.000 0.209 299 L C 2.758 179.695 176.870 0.113 0.000 1.094 299 L CA 0.887 55.859 54.840 0.219 0.000 0.763 299 L CB -0.507 41.642 42.059 0.149 0.000 0.908 299 L HN 0.280 nan 8.230 nan 0.000 0.437 300 G N -0.424 108.376 108.800 -0.001 0.000 2.404 300 G HA2 -0.178 3.782 3.960 -0.000 0.000 0.215 300 G HA3 -0.178 3.782 3.960 -0.000 0.000 0.215 300 G C 1.741 176.577 174.900 -0.107 0.000 1.174 300 G CA 0.132 45.205 45.100 -0.045 0.000 0.780 300 G HN 0.114 nan 8.290 nan 0.000 0.537 301 R N 0.404 120.769 120.500 -0.225 0.000 2.073 301 R HA -0.026 4.314 4.340 -0.000 0.000 0.229 301 R C 2.570 178.729 176.300 -0.235 0.000 1.120 301 R CA 1.470 57.414 56.100 -0.260 0.000 0.967 301 R CB -1.410 28.629 30.300 -0.435 0.000 0.862 301 R HN 0.503 nan 8.270 nan 0.000 0.436 302 N N 0.018 118.548 118.700 -0.282 0.000 2.290 302 N HA -0.109 4.631 4.740 -0.000 0.000 0.179 302 N C 1.287 176.397 175.510 -0.667 0.000 1.016 302 N CA 1.185 53.917 53.050 -0.529 0.000 0.871 302 N CB -0.178 37.867 38.487 -0.736 0.000 0.987 302 N HN 0.324 nan 8.380 nan 0.000 0.431 303 Y N -1.492 118.783 120.300 -0.043 0.000 2.563 303 Y HA 0.390 4.940 4.550 -0.000 0.000 0.250 303 Y C 0.820 176.702 175.900 -0.030 0.000 1.126 303 Y CA -0.704 57.378 58.100 -0.030 0.000 1.231 303 Y CB 0.380 38.828 38.460 -0.020 0.000 1.288 303 Y HN 0.177 nan 8.280 nan 0.000 0.537 304 N N 1.744 120.489 118.700 0.075 0.000 2.738 304 N HA -0.204 4.536 4.740 -0.000 0.000 0.249 304 N C -0.954 174.588 175.510 0.052 0.000 1.047 304 N CA 0.551 53.623 53.050 0.036 0.000 0.707 304 N CB -1.115 37.383 38.487 0.018 0.000 0.937 304 N HN 0.446 nan 8.380 nan 0.000 0.545 305 I N 1.119 121.733 120.570 0.073 0.000 2.530 305 I HA 0.361 4.531 4.170 -0.000 0.000 0.297 305 I C 0.751 176.883 176.117 0.025 0.000 1.011 305 I CA -0.760 60.569 61.300 0.047 0.000 1.107 305 I CB 1.733 39.764 38.000 0.053 0.000 1.285 305 I HN -0.065 nan 8.210 nan 0.000 0.436 306 R N 5.228 125.728 120.500 0.000 0.000 2.598 306 R HA 0.762 5.102 4.340 -0.000 0.000 0.279 306 R C -0.946 175.345 176.300 -0.016 0.000 0.984 306 R CA -0.825 55.268 56.100 -0.012 0.000 0.999 306 R CB 2.395 32.674 30.300 -0.034 0.000 1.114 306 R HN 0.531 nan 8.270 nan 0.000 0.493 307 I N 1.215 121.776 120.570 -0.016 0.000 2.644 307 I HA 0.357 4.527 4.170 -0.000 0.000 0.291 307 I C -1.622 174.480 176.117 -0.026 0.000 1.180 307 I CA -0.506 60.781 61.300 -0.022 0.000 1.040 307 I CB 1.789 39.781 38.000 -0.012 0.000 1.255 307 I HN 0.647 nan 8.210 nan 0.000 0.422 308 N N 3.443 122.121 118.700 -0.037 0.000 2.647 308 N HA 0.450 5.190 4.740 -0.000 0.000 0.266 308 N C -1.575 173.904 175.510 -0.051 0.000 1.373 308 N CA -0.559 52.468 53.050 -0.038 0.000 0.807 308 N CB 2.442 40.908 38.487 -0.034 0.000 1.513 308 N HN 0.490 nan 8.380 nan 0.000 0.505 309 T N 0.313 114.831 114.554 -0.060 0.000 2.893 309 T HA 0.623 4.973 4.350 -0.000 0.000 0.293 309 T C -0.971 173.665 174.700 -0.107 0.000 1.027 309 T CA -0.520 61.532 62.100 -0.080 0.000 0.988 309 T CB 0.586 69.403 68.868 -0.084 0.000 1.043 309 T HN 0.289 nan 8.240 nan 0.000 0.461 310 I N 3.656 124.153 120.570 -0.122 0.000 2.312 310 I HA 0.301 4.471 4.170 -0.000 0.000 0.290 310 I C 0.510 176.498 176.117 -0.214 0.000 1.008 310 I CA -0.556 60.648 61.300 -0.160 0.000 1.226 310 I CB 1.705 39.616 38.000 -0.149 0.000 1.371 310 I HN 0.494 nan 8.210 nan 0.000 0.468 311 S N 6.099 121.604 115.700 -0.325 0.000 2.485 311 S HA 0.544 5.014 4.470 -0.000 0.000 0.312 311 S C 0.203 174.683 174.600 -0.200 0.000 1.102 311 S CA -0.619 57.359 58.200 -0.370 0.000 1.066 311 S CB -0.087 62.542 63.200 -0.952 0.000 1.102 311 S HN 0.654 nan 8.310 nan 0.000 0.519 312 A N 3.970 126.724 122.820 -0.110 0.000 2.286 312 A HA 0.778 5.098 4.320 -0.000 0.000 0.286 312 A C 0.821 178.506 177.584 0.167 0.000 1.097 312 A CA -0.250 51.748 52.037 -0.066 0.000 0.821 312 A CB 0.265 19.016 19.000 -0.416 0.000 1.076 312 A HN 0.842 nan 8.150 nan 0.000 0.490 313 G N -0.157 108.761 108.800 0.197 0.000 2.522 313 G HA2 0.591 4.551 3.960 -0.000 0.000 0.304 313 G HA3 0.591 4.551 3.960 -0.000 0.000 0.304 313 G C -2.472 172.555 174.900 0.211 0.000 1.210 313 G CA -1.455 43.789 45.100 0.240 0.000 0.960 313 G HN 0.637 nan 8.290 nan 0.000 0.497 314 P HA 0.148 nan 4.420 nan 0.000 0.266 314 P C -0.948 176.347 177.300 -0.008 0.000 1.195 314 P CA 0.102 63.190 63.100 -0.020 0.000 0.768 314 P CB 1.317 32.962 31.700 -0.091 0.000 0.838 315 L N 2.025 123.196 121.223 -0.085 0.000 2.680 315 L HA 0.314 4.654 4.340 -0.000 0.000 0.260 315 L C -0.102 176.663 176.870 -0.176 0.000 0.975 315 L CA -0.610 54.133 54.840 -0.161 0.000 0.920 315 L CB 1.242 43.078 42.059 -0.372 0.000 1.234 315 L HN 0.209 nan 8.230 nan 0.000 0.429 316 K N 3.185 123.507 120.400 -0.130 0.000 2.430 316 K HA 0.462 4.782 4.320 -0.000 0.000 0.280 316 K C -0.292 176.240 176.600 -0.112 0.000 1.063 316 K CA 0.887 57.110 56.287 -0.106 0.000 1.071 316 K CB 0.277 32.731 32.500 -0.077 0.000 0.899 316 K HN 0.780 nan 8.250 nan 0.000 0.473 317 S N 1.759 117.400 115.700 -0.098 0.000 2.757 317 S HA 0.479 4.949 4.470 -0.000 0.000 0.285 317 S C 1.118 175.687 174.600 -0.053 0.000 1.196 317 S CA -0.487 57.657 58.200 -0.094 0.000 0.856 317 S CB 0.967 64.080 63.200 -0.146 0.000 1.212 317 S HN 0.652 nan 8.310 nan 0.000 0.516 318 R N 0.461 120.935 120.500 -0.044 0.000 2.222 318 R HA -0.057 4.283 4.340 -0.000 0.000 0.235 318 R C 2.532 178.830 176.300 -0.004 0.000 1.112 318 R CA 3.796 59.888 56.100 -0.013 0.000 0.897 318 R CB -2.230 nan 30.300 nan 0.000 0.882 318 R HN 1.598 nan 8.270 nan 0.000 0.429 319 A N -0.232 122.582 122.820 -0.011 0.000 1.848 319 A HA 0.207 4.527 4.320 -0.000 0.000 0.211 319 A C 2.835 180.428 177.584 0.015 0.000 1.225 319 A CA 3.094 55.128 52.037 -0.006 0.000 0.637 319 A CB -1.488 17.506 19.000 -0.011 0.000 0.867 319 A HN 1.890 nan 8.150 nan 0.000 0.463 320 A N -1.553 121.282 122.820 0.025 0.000 1.888 320 A HA -0.384 3.936 4.320 -0.000 0.000 0.249 320 A C 2.168 179.790 177.584 0.063 0.000 2.120 320 A CA 3.499 55.566 52.037 0.052 0.000 0.772 320 A CB -2.119 16.871 19.000 -0.016 0.000 0.844 320 A HN 0.734 nan 8.150 nan 0.000 0.525 321 T N -0.418 114.151 114.554 0.025 0.000 2.969 321 T HA 0.093 4.443 4.350 -0.000 0.000 0.271 321 T C 1.586 176.317 174.700 0.051 0.000 1.127 321 T CA 1.383 63.502 62.100 0.032 0.000 1.102 321 T CB -0.345 68.529 68.868 0.011 0.000 0.855 321 T HN 0.832 nan 8.240 nan 0.000 0.536 322 A N 0.278 123.129 122.820 0.051 0.000 2.308 322 A HA 0.578 4.898 4.320 -0.000 0.000 0.217 322 A C 0.942 178.562 177.584 0.059 0.000 1.216 322 A CA -0.176 51.888 52.037 0.045 0.000 0.864 322 A CB -0.371 18.643 19.000 0.024 0.000 0.902 322 A HN 0.532 nan 8.150 nan 0.000 0.499 323 I N 0.025 120.666 120.570 0.119 0.000 2.315 323 I HA 0.631 4.801 4.170 -0.000 0.000 0.291 323 I C 0.353 176.617 176.117 0.244 0.000 1.006 323 I CA -0.020 61.388 61.300 0.179 0.000 1.265 323 I CB -0.731 37.505 38.000 0.394 0.000 1.387 323 I HN 0.588 nan 8.210 nan 0.000 0.475 368 F N 2.289 122.293 119.950 0.090 0.000 2.091 368 F HA 0.038 4.565 4.527 -0.000 0.000 0.299 368 F C 1.997 177.890 175.800 0.156 0.000 1.103 368 F CA 1.792 59.874 58.000 0.137 0.000 1.228 368 F CB -0.317 38.759 39.000 0.128 0.000 0.984 368 F HN 0.291 nan 8.300 nan 0.000 0.477 369 I N 0.931 121.326 120.570 -0.292 0.000 2.454 369 I HA -0.259 3.911 4.170 -0.000 0.000 0.254 369 I C 1.776 177.765 176.117 -0.214 0.000 1.156 369 I CA 1.563 62.615 61.300 -0.413 0.000 1.433 369 I CB -1.113 36.775 38.000 -0.187 0.000 1.082 369 I HN 0.241 nan 8.210 nan 0.000 0.432 370 D N -0.445 119.917 120.400 -0.064 0.000 2.117 370 D HA -0.256 4.384 4.640 -0.000 0.000 0.197 370 D C 1.970 178.300 176.300 0.049 0.000 0.987 370 D CA 1.279 55.281 54.000 0.002 0.000 0.829 370 D CB -0.349 40.481 40.800 0.050 0.000 0.961 370 D HN 0.396 nan 8.370 nan 0.000 0.460 371 Y N 1.939 122.217 120.300 -0.037 0.000 2.163 371 Y HA -0.070 4.480 4.550 -0.000 0.000 0.288 371 Y C 2.308 178.221 175.900 0.022 0.000 1.136 371 Y CA 1.394 59.512 58.100 0.029 0.000 1.147 371 Y CB -0.596 37.914 38.460 0.083 0.000 0.987 371 Y HN -0.072 nan 8.280 nan 0.000 0.509 372 A N 0.848 123.501 122.820 -0.278 0.000 1.917 372 A HA -0.229 4.091 4.320 -0.000 0.000 0.219 372 A C 2.348 179.822 177.584 -0.184 0.000 1.182 372 A CA 2.362 54.193 52.037 -0.343 0.000 0.633 372 A CB -1.271 17.461 19.000 -0.446 0.000 0.819 372 A HN 0.599 nan 8.150 nan 0.000 0.448 373 I N -0.599 119.886 120.570 -0.143 0.000 2.252 373 I HA -0.189 3.981 4.170 -0.000 0.000 0.245 373 I C 3.074 179.159 176.117 -0.054 0.000 1.102 373 I CA 1.435 62.690 61.300 -0.075 0.000 1.385 373 I CB -0.737 37.222 38.000 -0.068 0.000 1.064 373 I HN 0.549 nan 8.210 nan 0.000 0.414 374 E N 0.628 120.797 120.200 -0.052 0.000 2.085 374 E HA -0.326 4.024 4.350 -0.000 0.000 0.194 374 E C 2.001 178.558 176.600 -0.072 0.000 0.994 374 E CA 1.715 58.090 56.400 -0.040 0.000 0.801 374 E CB -1.299 28.418 29.700 0.028 0.000 0.743 374 E HN 0.636 nan 8.360 nan 0.000 0.453 375 Y N 0.835 120.997 120.300 -0.230 0.000 2.163 375 Y HA -0.108 4.442 4.550 -0.000 0.000 0.288 375 Y C 2.983 178.841 175.900 -0.070 0.000 1.136 375 Y CA 2.002 60.006 58.100 -0.160 0.000 1.147 375 Y CB -0.456 37.794 38.460 -0.348 0.000 0.987 375 Y HN 0.262 nan 8.280 nan 0.000 0.509 376 S N -0.103 115.691 115.700 0.156 0.000 2.359 376 S HA -0.241 4.229 4.470 -0.000 0.000 0.224 376 S C 1.857 176.455 174.600 -0.003 0.000 1.035 376 S CA 1.859 60.129 58.200 0.117 0.000 1.018 376 S CB -0.397 62.852 63.200 0.082 0.000 0.876 376 S HN 0.658 nan 8.310 nan 0.000 0.448 377 E N 0.034 120.201 120.200 -0.055 0.000 2.418 377 E HA -0.049 4.301 4.350 -0.000 0.000 0.197 377 E C 1.975 178.475 176.600 -0.167 0.000 1.026 377 E CA 0.587 56.935 56.400 -0.087 0.000 0.862 377 E CB 0.081 29.737 29.700 -0.073 0.000 0.799 377 E HN 0.471 nan 8.360 nan 0.000 0.518 378 K N -0.557 119.662 120.400 -0.301 0.000 2.287 378 K HA 0.008 4.328 4.320 -0.000 0.000 0.199 378 K C 0.853 177.075 176.600 -0.629 0.000 1.061 378 K CA 0.444 56.413 56.287 -0.530 0.000 0.976 378 K CB 0.355 32.374 32.500 -0.801 0.000 0.898 378 K HN 0.114 nan 8.250 nan 0.000 0.492 379 Y N 0.274 120.413 120.300 -0.270 0.000 2.467 379 Y HA 0.386 4.936 4.550 -0.000 0.000 0.250 379 Y C 0.459 176.297 175.900 -0.103 0.000 1.155 379 Y CA -0.688 57.267 58.100 -0.242 0.000 1.249 379 Y CB 0.865 39.050 38.460 -0.458 0.000 1.146 379 Y HN -0.005 nan 8.280 nan 0.000 0.524 380 A N 2.171 125.017 122.820 0.043 0.000 2.425 380 A HA 0.169 4.489 4.320 -0.000 0.000 0.249 380 A C -1.202 176.395 177.584 0.023 0.000 1.084 380 A CA -1.227 50.841 52.037 0.050 0.000 0.781 380 A CB 0.055 19.081 19.000 0.042 0.000 1.019 380 A HN 0.084 nan 8.150 nan 0.000 0.490 381 P HA -0.120 nan 4.420 nan 0.000 0.217 381 P C 0.058 177.359 177.300 0.001 0.000 1.148 381 P CA 1.255 64.362 63.100 0.011 0.000 0.828 381 P CB 0.017 31.720 31.700 0.006 0.000 0.783 382 L N 0.321 121.545 121.223 0.002 0.000 2.276 382 L HA 0.326 4.666 4.340 -0.000 0.000 0.286 382 L C 1.058 177.923 176.870 -0.009 0.000 1.024 382 L CA -0.580 54.258 54.840 -0.003 0.000 0.826 382 L CB 1.393 43.453 42.059 0.002 0.000 1.211 382 L HN -0.263 nan 8.230 nan 0.000 0.422 383 R N 3.720 124.209 120.500 -0.018 0.000 4.680 383 R HA 0.081 4.421 4.340 -0.000 0.000 0.222 383 R C -0.260 176.026 176.300 -0.024 0.000 1.803 383 R CA -0.135 55.947 56.100 -0.030 0.000 1.560 383 R CB 0.017 30.291 30.300 -0.043 0.000 1.412 383 R HN 0.612 nan 8.270 nan 0.000 0.815 384 Q N -1.148 118.644 119.800 -0.013 0.000 2.359 384 Q HA 0.527 4.866 4.340 -0.000 0.000 0.275 384 Q C -0.720 175.277 176.000 -0.004 0.000 1.082 384 Q CA -1.061 54.737 55.803 -0.008 0.000 0.849 384 Q CB 0.999 29.736 28.738 -0.001 0.000 1.377 384 Q HN -0.025 nan 8.270 nan 0.000 0.452 385 K N 1.292 121.691 120.400 -0.002 0.000 2.322 385 K HA 0.292 4.612 4.320 -0.000 0.000 0.283 385 K C -0.654 175.955 176.600 0.015 0.000 1.042 385 K CA -0.562 55.726 56.287 0.001 0.000 0.958 385 K CB 0.311 32.809 32.500 -0.004 0.000 0.984 385 K HN 0.540 nan 8.250 nan 0.000 0.473 386 L N 3.731 124.969 121.223 0.024 0.000 2.315 386 L HA 0.388 4.728 4.340 -0.000 0.000 0.283 386 L C -0.421 176.479 176.870 0.051 0.000 1.089 386 L CA -0.448 54.422 54.840 0.050 0.000 0.833 386 L CB -0.046 42.056 42.059 0.072 0.000 1.170 386 L HN 0.672 nan 8.230 nan 0.000 0.442 387 L N 3.618 124.878 121.223 0.061 0.000 2.352 387 L HA 0.428 4.768 4.340 -0.000 0.000 0.269 387 L C 1.527 178.460 176.870 0.105 0.000 1.034 387 L CA -0.260 54.614 54.840 0.058 0.000 0.806 387 L CB 1.635 43.724 42.059 0.050 0.000 1.244 387 L HN 0.766 nan 8.230 nan 0.000 0.447 388 S N -1.523 114.227 115.700 0.083 0.000 2.419 388 S HA -0.172 4.298 4.470 -0.000 0.000 0.233 388 S C 1.580 176.287 174.600 0.178 0.000 1.016 388 S CA 1.362 59.652 58.200 0.150 0.000 0.974 388 S CB -0.722 62.520 63.200 0.070 0.000 0.786 388 S HN 0.884 nan 8.310 nan 0.000 0.492 389 T N -0.983 113.642 114.554 0.119 0.000 3.085 389 T HA 0.037 4.387 4.350 -0.000 0.000 0.263 389 T C 1.162 175.911 174.700 0.081 0.000 1.127 389 T CA 0.844 63.000 62.100 0.093 0.000 1.103 389 T CB -0.353 68.559 68.868 0.072 0.000 0.921 389 T HN 0.271 nan 8.240 nan 0.000 0.510 390 D N 1.186 121.641 120.400 0.091 0.000 2.183 390 D HA 0.069 4.709 4.640 -0.000 0.000 0.203 390 D C 1.757 178.099 176.300 0.069 0.000 0.969 390 D CA 0.606 54.648 54.000 0.071 0.000 0.842 390 D CB -0.069 40.773 40.800 0.071 0.000 0.957 390 D HN 0.372 nan 8.370 nan 0.000 0.484 391 I N 1.055 121.685 120.570 0.099 0.000 2.406 391 I HA -0.040 4.130 4.170 -0.000 0.000 0.249 391 I C 2.535 178.674 176.117 0.038 0.000 1.122 391 I CA 0.761 62.083 61.300 0.036 0.000 1.431 391 I CB -0.713 37.272 38.000 -0.024 0.000 1.087 391 I HN -0.048 nan 8.210 nan 0.000 0.424 392 G N 0.254 109.099 108.800 0.075 0.000 2.459 392 G HA2 -0.302 3.658 3.960 -0.000 0.000 0.217 392 G HA3 -0.302 3.658 3.960 -0.000 0.000 0.217 392 G C 1.821 176.747 174.900 0.043 0.000 1.183 392 G CA 1.373 46.505 45.100 0.053 0.000 0.776 392 G HN 0.501 nan 8.290 nan 0.000 0.552 393 S N 0.175 115.904 115.700 0.048 0.000 2.399 393 S HA -0.087 4.383 4.470 -0.000 0.000 0.231 393 S C 2.252 176.900 174.600 0.080 0.000 1.022 393 S CA 1.471 59.702 58.200 0.052 0.000 0.983 393 S CB -0.416 62.806 63.200 0.036 0.000 0.803 393 S HN 0.129 nan 8.310 nan 0.000 0.480 394 V N 2.295 122.251 119.914 0.070 0.000 2.453 394 V HA -0.002 4.118 4.120 -0.000 0.000 0.247 394 V C 3.100 179.270 176.094 0.128 0.000 1.048 394 V CA 1.358 63.723 62.300 0.108 0.000 1.049 394 V CB -1.441 30.419 31.823 0.062 0.000 0.672 394 V HN 0.649 nan 8.190 nan 0.000 0.457 395 A N -0.285 122.570 122.820 0.059 0.000 1.877 395 A HA -0.243 4.076 4.320 -0.000 0.000 0.216 395 A C 2.572 180.176 177.584 0.033 0.000 1.186 395 A CA 2.220 54.272 52.037 0.025 0.000 0.620 395 A CB -0.896 18.102 19.000 -0.003 0.000 0.822 395 A HN 0.480 nan 8.150 nan 0.000 0.443 396 S N -1.320 114.411 115.700 0.052 0.000 2.374 396 S HA -0.217 4.252 4.470 -0.000 0.000 0.227 396 S C 1.796 176.441 174.600 0.075 0.000 1.037 396 S CA 1.931 60.161 58.200 0.049 0.000 1.024 396 S CB -0.566 62.668 63.200 0.057 0.000 0.861 396 S HN 0.643 nan 8.310 nan 0.000 0.456 397 F N 1.986 121.929 119.950 -0.011 0.000 2.102 397 F HA 0.081 4.608 4.527 -0.000 0.000 0.298 397 F C 1.809 177.604 175.800 -0.009 0.000 1.105 397 F CA 1.452 59.447 58.000 -0.008 0.000 1.239 397 F CB -0.524 38.472 39.000 -0.006 0.000 0.991 397 F HN 0.196 nan 8.300 nan 0.000 0.474 398 L N -0.064 121.040 121.223 -0.198 0.000 2.362 398 L HA -0.169 4.171 4.340 -0.000 0.000 0.219 398 L C 2.032 178.769 176.870 -0.221 0.000 1.134 398 L CA 0.763 55.433 54.840 -0.283 0.000 0.807 398 L CB -0.515 41.496 42.059 -0.081 0.000 0.927 398 L HN 0.272 nan 8.230 nan 0.000 0.447 399 L N -1.328 119.807 121.223 -0.147 0.000 2.529 399 L HA 0.066 4.406 4.340 -0.000 0.000 0.223 399 L C 1.463 178.268 176.870 -0.110 0.000 1.113 399 L CA -0.192 54.587 54.840 -0.102 0.000 0.861 399 L CB 0.049 42.075 42.059 -0.056 0.000 1.012 399 L HN 0.235 nan 8.230 nan 0.000 0.461 400 S N -0.683 114.925 115.700 -0.153 0.000 2.707 400 S HA 0.397 4.867 4.470 -0.000 0.000 0.276 400 S C 1.336 175.842 174.600 -0.156 0.000 1.179 400 S CA -0.092 58.038 58.200 -0.118 0.000 0.992 400 S CB 1.527 64.685 63.200 -0.069 0.000 1.030 400 S HN 0.155 nan 8.310 nan 0.000 0.554 401 R N 0.105 120.550 120.500 -0.092 0.000 2.328 401 R HA 0.111 4.451 4.340 -0.000 0.000 0.207 401 R C 1.696 177.941 176.300 -0.090 0.000 1.056 401 R CA 1.734 57.786 56.100 -0.079 0.000 1.016 401 R CB -1.750 28.529 30.300 -0.036 0.000 0.872 401 R HN 0.854 nan 8.270 nan 0.000 0.471 402 E N 0.319 120.451 120.200 -0.113 0.000 2.153 402 E HA -0.056 4.294 4.350 -0.000 0.000 0.194 402 E C 1.699 178.193 176.600 -0.177 0.000 0.988 402 E CA 1.775 58.149 56.400 -0.044 0.000 0.811 402 E CB 0.120 29.911 29.700 0.152 0.000 0.746 402 E HN 0.583 nan 8.360 nan 0.000 0.466 403 S N 0.127 115.531 115.700 -0.493 0.000 2.603 403 S HA 0.011 4.481 4.470 -0.000 0.000 0.220 403 S C 1.461 175.950 174.600 -0.185 0.000 0.967 403 S CA 0.034 57.954 58.200 -0.466 0.000 0.920 403 S CB -0.060 62.760 63.200 -0.634 0.000 0.773 403 S HN 0.236 nan 8.310 nan 0.000 0.529 404 R N 1.919 122.344 120.500 -0.124 0.000 2.279 404 R HA -0.294 4.046 4.340 -0.000 0.000 0.264 404 R C 1.565 177.841 176.300 -0.041 0.000 1.138 404 R CA 2.000 58.061 56.100 -0.065 0.000 0.981 404 R CB -0.503 29.776 30.300 -0.035 0.000 0.909 404 R HN 0.441 nan 8.270 nan 0.000 0.462 405 A N 0.035 122.841 122.820 -0.023 0.000 2.345 405 A HA 0.294 4.614 4.320 -0.000 0.000 0.225 405 A C 0.542 178.125 177.584 -0.001 0.000 1.243 405 A CA -0.282 51.752 52.037 -0.005 0.000 0.875 405 A CB 0.272 19.279 19.000 0.012 0.000 0.929 405 A HN 0.224 nan 8.150 nan 0.000 0.502 406 I N -0.004 120.555 120.570 -0.018 0.000 2.378 406 I HA 0.456 4.626 4.170 -0.000 0.000 0.291 406 I C -0.111 175.994 176.117 -0.021 0.000 0.992 406 I CA -0.254 61.041 61.300 -0.007 0.000 1.154 406 I CB 1.992 39.993 38.000 0.001 0.000 1.315 406 I HN 0.043 nan 8.210 nan 0.000 0.448 407 T N 3.203 117.754 114.554 -0.005 0.000 2.942 407 T HA 0.511 4.861 4.350 -0.000 0.000 0.327 407 T C 0.294 174.997 174.700 0.004 0.000 1.360 407 T CA 0.324 62.420 62.100 -0.006 0.000 1.055 407 T CB 1.452 70.317 68.868 -0.005 0.000 1.261 407 T HN 1.007 nan 8.240 nan 0.000 0.485 408 G N 2.749 111.550 108.800 0.002 0.000 2.153 408 G HA2 -0.175 3.785 3.960 -0.000 0.000 0.252 408 G HA3 -0.175 3.785 3.960 -0.000 0.000 0.252 408 G C -0.059 174.843 174.900 0.004 0.000 0.994 408 G CA 0.386 45.489 45.100 0.006 0.000 0.698 408 G HN 0.743 nan 8.290 nan 0.000 0.521 409 Q N -0.153 119.648 119.800 0.001 0.000 2.215 409 Q HA 0.618 4.958 4.340 -0.000 0.000 0.256 409 Q C -0.196 175.797 176.000 -0.012 0.000 0.972 409 Q CA -0.214 55.593 55.803 0.007 0.000 0.889 409 Q CB 1.490 30.241 28.738 0.022 0.000 1.281 409 Q HN 0.160 nan 8.270 nan 0.000 0.456 410 T N 2.298 116.847 114.554 -0.008 0.000 2.801 410 T HA 0.423 4.773 4.350 -0.000 0.000 0.306 410 T C 0.066 174.730 174.700 -0.060 0.000 1.020 410 T CA -0.439 61.619 62.100 -0.069 0.000 0.948 410 T CB 0.169 68.993 68.868 -0.073 0.000 0.962 410 T HN 0.235 nan 8.240 nan 0.000 0.465 411 I N 3.851 124.371 120.570 -0.083 0.000 2.331 411 I HA 0.285 4.455 4.170 -0.000 0.000 0.292 411 I C -0.192 175.865 176.117 -0.100 0.000 0.998 411 I CA -0.941 60.349 61.300 -0.017 0.000 1.267 411 I CB 0.554 38.566 38.000 0.020 0.000 1.386 411 I HN 0.589 nan 8.210 nan 0.000 0.476 412 Y N 5.036 125.326 120.300 -0.017 0.000 2.336 412 Y HA 0.311 4.861 4.550 -0.000 0.000 0.335 412 Y C 0.453 176.338 175.900 -0.026 0.000 1.046 412 Y CA -0.227 57.853 58.100 -0.034 0.000 1.198 412 Y CB 1.280 39.700 38.460 -0.065 0.000 1.182 412 Y HN 0.228 nan 8.280 nan 0.000 0.502 413 V N 4.127 124.091 119.914 0.084 0.000 2.383 413 V HA 0.205 4.325 4.120 -0.000 0.000 0.264 413 V C -0.748 175.394 176.094 0.081 0.000 1.001 413 V CA -0.651 61.684 62.300 0.058 0.000 0.828 413 V CB 0.670 32.497 31.823 0.007 0.000 1.069 413 V HN 0.887 nan 8.190 nan 0.000 0.451 414 D N 1.357 121.820 120.400 0.104 0.000 2.740 414 D HA 0.090 4.730 4.640 -0.000 0.000 0.305 414 D C 0.459 176.803 176.300 0.074 0.000 1.583 414 D CA -0.525 53.540 54.000 0.109 0.000 0.790 414 D CB -0.193 40.695 40.800 0.147 0.000 1.187 414 D HN 0.234 nan 8.370 nan 0.000 0.447 415 N N 0.762 119.495 118.700 0.055 0.000 2.741 415 N HA -0.166 4.574 4.740 -0.000 0.000 0.251 415 N C 1.249 176.772 175.510 0.022 0.000 1.112 415 N CA 1.563 54.633 53.050 0.034 0.000 0.750 415 N CB -1.453 37.055 38.487 0.034 0.000 1.119 415 N HN 0.783 nan 8.380 nan 0.000 0.561 416 G N -0.721 108.088 108.800 0.014 0.000 2.184 416 G HA2 -0.381 3.579 3.960 -0.000 0.000 0.264 416 G HA3 -0.381 3.579 3.960 -0.000 0.000 0.264 416 G C 0.927 175.807 174.900 -0.033 0.000 0.975 416 G CA 0.683 45.771 45.100 -0.021 0.000 0.642 416 G HN 0.477 nan 8.290 nan 0.000 0.536 417 L N 2.047 123.271 121.223 0.001 0.000 2.081 417 L HA -0.105 4.235 4.340 -0.000 0.000 0.212 417 L C 2.491 179.332 176.870 -0.048 0.000 1.080 417 L CA 3.179 58.036 54.840 0.028 0.000 0.754 417 L CB -0.726 41.387 42.059 0.090 0.000 0.893 417 L HN 0.707 nan 8.230 nan 0.000 0.433 418 N N 0.179 118.756 118.700 -0.205 0.000 2.364 418 N HA -0.229 4.511 4.740 -0.000 0.000 0.183 418 N C 1.774 177.099 175.510 -0.307 0.000 1.022 418 N CA 1.753 54.527 53.050 -0.460 0.000 0.883 418 N CB -0.913 36.956 38.487 -1.030 0.000 0.965 418 N HN 0.704 nan 8.380 nan 0.000 0.438 419 I N -3.688 116.767 120.570 -0.191 0.000 3.251 419 I HA 0.123 4.293 4.170 -0.000 0.000 0.277 419 I C 0.211 176.315 176.117 -0.021 0.000 1.268 419 I CA -0.045 61.186 61.300 -0.115 0.000 1.449 419 I CB -0.188 37.758 38.000 -0.091 0.000 1.083 419 I HN -0.013 nan 8.210 nan 0.000 0.464 420 M N 0.527 120.141 119.600 0.024 0.000 2.241 420 M HA 0.187 4.667 4.480 -0.000 0.000 0.335 420 M C 0.348 176.763 176.300 0.192 0.000 1.122 420 M CA 0.244 55.601 55.300 0.095 0.000 1.164 420 M CB 1.165 33.827 32.600 0.103 0.000 1.459 420 M HN 0.246 nan 8.290 nan 0.000 0.461 421 F N 0.997 120.945 119.950 -0.002 0.000 2.362 421 F HA 0.369 4.896 4.527 -0.000 0.000 0.264 421 F C -0.202 175.593 175.800 -0.008 0.000 0.905 421 F CA -0.245 57.755 58.000 -0.001 0.000 1.142 421 F CB 0.737 39.732 39.000 -0.008 0.000 1.250 421 F HN 0.288 nan 8.300 nan 0.000 0.771 422 L N 3.666 124.805 121.223 -0.139 0.000 2.272 422 L HA 0.385 4.725 4.340 -0.000 0.000 0.289 422 L C -2.260 174.504 176.870 -0.177 0.000 1.032 422 L CA -1.989 52.675 54.840 -0.293 0.000 0.810 422 L CB 0.969 42.855 42.059 -0.288 0.000 1.205 422 L HN 0.109 nan 8.230 nan 0.000 0.422 423 P HA 0.131 nan 4.420 nan 0.000 0.281 423 P C -1.043 176.122 177.300 -0.226 0.000 1.252 423 P CA -0.492 62.346 63.100 -0.436 0.000 0.778 423 P CB 1.021 32.038 31.700 -1.137 0.000 0.895 424 D N 0.000 120.374 120.400 -0.044 0.000 6.856 424 D HA 0.000 4.640 4.640 -0.000 0.000 0.175 424 D CA 0.000 54.017 54.000 0.029 0.000 0.868 424 D CB 0.000 40.828 40.800 0.047 0.000 0.688 424 D HN 0.000 nan 8.370 nan 0.000 0.683