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 2ode_1_D DATA FIRST_RESID 56 DATA SEQUENCE SFDVLLSHKY GVAAFRAFLK TEFSEENLEF WLACEEFKKT RSTAKLVSKA DATA SEQUENCE HRIFEEFVDV QAPREVNIDF QTREATRKNL QEPSLTCFDQ AQGKVHSLME DATA SEQUENCE KDSYPRFLRS KMYLDL 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 56 S HA 0.000 nan 4.470 nan 0.000 0.327 56 S C 0.000 174.579 174.600 -0.035 0.000 1.055 56 S CA 0.000 58.257 58.200 0.094 0.000 1.107 56 S CB 0.000 63.221 63.200 0.035 0.000 0.593 57 F N 3.890 123.558 119.950 -0.469 0.000 2.206 57 F HA 0.121 4.654 4.527 0.009 0.000 0.298 57 F C 1.625 177.068 175.800 -0.595 0.000 1.090 57 F CA 1.684 59.099 58.000 -0.975 0.000 1.323 57 F CB 0.034 38.295 39.000 -1.233 0.000 1.028 57 F HN 0.666 nan 8.300 nan 0.000 0.492 58 D N -0.164 120.012 120.400 -0.372 0.000 2.183 58 D HA -0.109 4.536 4.640 0.008 0.000 0.203 58 D C 2.564 178.660 176.300 -0.341 0.000 0.969 58 D CA 1.218 55.005 54.000 -0.354 0.000 0.842 58 D CB -0.365 40.360 40.800 -0.124 0.000 0.957 58 D HN 0.218 nan 8.370 nan 0.000 0.484 59 V N 1.340 121.102 119.914 -0.253 0.000 2.295 59 V HA -0.229 3.896 4.120 0.008 0.000 0.246 59 V C 2.560 178.452 176.094 -0.336 0.000 1.049 59 V CA 1.076 63.228 62.300 -0.247 0.000 1.024 59 V CB -0.522 31.251 31.823 -0.083 0.000 0.648 59 V HN 0.128 nan 8.190 nan 0.000 0.447 60 L N -0.140 120.910 121.223 -0.288 0.000 1.997 60 L HA -0.211 4.134 4.340 0.008 0.000 0.216 60 L C 2.177 178.784 176.870 -0.438 0.000 1.074 60 L CA 2.075 56.743 54.840 -0.286 0.000 0.763 60 L CB -0.498 41.366 42.059 -0.325 0.000 0.890 60 L HN 0.232 nan 8.230 nan 0.000 0.434 61 L N -0.715 120.121 121.223 -0.646 0.000 2.376 61 L HA -0.096 4.249 4.340 0.008 0.000 0.219 61 L C 2.488 179.161 176.870 -0.327 0.000 1.133 61 L CA 1.022 55.510 54.840 -0.587 0.000 0.816 61 L CB -0.715 40.779 42.059 -0.942 0.000 0.933 61 L HN 0.537 nan 8.230 nan 0.000 0.449 62 S N -1.963 113.500 115.700 -0.395 0.000 2.489 62 S HA -0.046 4.429 4.470 0.008 0.000 0.228 62 S C 0.796 175.136 174.600 -0.433 0.000 0.995 62 S CA 0.083 58.051 58.200 -0.386 0.000 0.934 62 S CB -0.213 62.699 63.200 -0.480 0.000 0.771 62 S HN 0.350 nan 8.310 nan 0.000 0.522 63 H N 0.660 119.556 119.070 -0.290 0.000 2.457 63 H HA 0.389 4.950 4.556 0.007 0.000 0.335 63 H C 0.749 175.845 175.328 -0.387 0.000 1.115 63 H CA -0.681 55.096 56.048 -0.453 0.000 1.219 63 H CB 1.845 31.005 29.762 -1.003 0.000 1.471 63 H HN 0.042 nan 8.280 nan 0.000 0.491 64 K N 2.160 122.506 120.400 -0.090 0.000 2.152 64 K HA -0.142 4.183 4.320 0.008 0.000 0.206 64 K C 1.728 178.356 176.600 0.047 0.000 1.048 64 K CA 1.723 58.015 56.287 0.009 0.000 0.933 64 K CB -0.581 31.971 32.500 0.087 0.000 0.721 64 K HN 0.693 nan 8.250 nan 0.000 0.447 65 Y N -1.591 118.778 120.300 0.115 0.000 2.475 65 Y HA 0.288 4.842 4.550 0.007 0.000 0.289 65 Y C 2.322 178.310 175.900 0.148 0.000 1.121 65 Y CA 0.518 58.684 58.100 0.109 0.000 1.257 65 Y CB -1.045 37.461 38.460 0.076 0.000 1.026 65 Y HN 0.039 nan 8.280 nan 0.000 0.555 66 G N 1.116 109.816 108.800 -0.166 0.000 2.404 66 G HA2 -0.183 3.782 3.960 0.008 0.000 0.215 66 G HA3 -0.183 3.782 3.960 0.008 0.000 0.215 66 G C 1.617 176.527 174.900 0.017 0.000 1.174 66 G CA 1.342 46.441 45.100 -0.002 0.000 0.780 66 G HN 0.331 nan 8.290 nan 0.000 0.537 67 V N 1.699 121.589 119.914 -0.039 0.000 2.287 67 V HA -0.183 3.942 4.120 0.008 0.000 0.248 67 V C 3.355 179.508 176.094 0.099 0.000 1.053 67 V CA 2.179 64.486 62.300 0.011 0.000 1.027 67 V CB -0.904 30.922 31.823 0.005 0.000 0.646 67 V HN 0.475 nan 8.190 nan 0.000 0.447 68 A N -0.184 122.708 122.820 0.120 0.000 1.902 68 A HA -0.137 4.188 4.320 0.008 0.000 0.217 68 A C 2.418 180.111 177.584 0.183 0.000 1.181 68 A CA 2.232 54.354 52.037 0.141 0.000 0.623 68 A CB -0.819 18.273 19.000 0.153 0.000 0.818 68 A HN 0.588 nan 8.150 nan 0.000 0.443 69 A N -1.435 121.538 122.820 0.255 0.000 1.898 69 A HA -0.018 4.307 4.320 0.008 0.000 0.216 69 A C 2.038 179.855 177.584 0.388 0.000 1.181 69 A CA 1.621 53.885 52.037 0.379 0.000 0.620 69 A CB -0.698 18.622 19.000 0.533 0.000 0.819 69 A HN 0.575 nan 8.150 nan 0.000 0.442 70 F N 0.628 120.536 119.950 -0.069 0.000 2.171 70 F HA -0.102 4.430 4.527 0.007 0.000 0.300 70 F C 2.343 178.127 175.800 -0.027 0.000 1.090 70 F CA 1.605 59.391 58.000 -0.357 0.000 1.293 70 F CB -0.347 38.364 39.000 -0.481 0.000 1.013 70 F HN 0.241 nan 8.300 nan 0.000 0.486 71 R N 0.316 120.831 120.500 0.025 0.000 2.083 71 R HA -0.173 4.172 4.340 0.008 0.000 0.237 71 R C 2.346 178.623 176.300 -0.039 0.000 1.137 71 R CA 1.492 57.568 56.100 -0.040 0.000 0.951 71 R CB -0.702 29.617 30.300 0.031 0.000 0.851 71 R HN 0.300 nan 8.270 nan 0.000 0.434 72 A N 0.516 123.371 122.820 0.058 0.000 1.908 72 A HA -0.217 4.108 4.320 0.008 0.000 0.218 72 A C 1.993 179.611 177.584 0.056 0.000 1.181 72 A CA 1.492 53.569 52.037 0.067 0.000 0.627 72 A CB -0.813 18.271 19.000 0.140 0.000 0.818 72 A HN 0.571 nan 8.150 nan 0.000 0.445 73 F N 0.537 120.488 119.950 0.001 0.000 2.113 73 F HA -0.081 4.451 4.527 0.008 0.000 0.297 73 F C 1.913 177.620 175.800 -0.155 0.000 1.103 73 F CA 1.567 59.576 58.000 0.014 0.000 1.248 73 F CB -0.310 38.849 39.000 0.265 0.000 0.999 73 F HN 0.129 nan 8.300 nan 0.000 0.475 74 L N 0.257 121.243 121.223 -0.395 0.000 2.079 74 L HA -0.250 4.095 4.340 0.008 0.000 0.210 74 L C 2.433 179.052 176.870 -0.417 0.000 1.081 74 L CA 1.595 56.144 54.840 -0.486 0.000 0.752 74 L CB -0.805 40.992 42.059 -0.437 0.000 0.896 74 L HN 0.130 nan 8.230 nan 0.000 0.433 75 K N -0.225 119.977 120.400 -0.331 0.000 2.103 75 K HA -0.184 4.141 4.320 0.008 0.000 0.207 75 K C 2.087 178.323 176.600 -0.607 0.000 1.048 75 K CA 1.975 58.044 56.287 -0.363 0.000 0.930 75 K CB -0.341 32.024 32.500 -0.226 0.000 0.716 75 K HN 0.495 nan 8.250 nan 0.000 0.444 76 T N -1.155 113.079 114.554 -0.532 0.000 2.962 76 T HA -0.081 4.274 4.350 0.008 0.000 0.270 76 T C 1.395 175.728 174.700 -0.612 0.000 1.088 76 T CA 0.947 62.717 62.100 -0.551 0.000 1.127 76 T CB 0.003 68.662 68.868 -0.348 0.000 0.883 76 T HN 0.226 nan 8.240 nan 0.000 0.493 77 E N 0.046 119.889 120.200 -0.595 0.000 2.476 77 E HA 0.258 4.613 4.350 0.008 0.000 0.196 77 E C -0.526 176.034 176.600 -0.068 0.000 1.029 77 E CA -0.495 55.715 56.400 -0.318 0.000 0.896 77 E CB -0.067 29.401 29.700 -0.386 0.000 1.012 77 E HN 0.577 nan 8.360 nan 0.000 0.475 78 F N 1.100 120.959 119.950 -0.151 0.000 3.027 78 F HA -0.246 4.286 4.527 0.008 0.000 0.276 78 F C 0.802 176.551 175.800 -0.086 0.000 0.967 78 F CA 0.923 58.865 58.000 -0.097 0.000 0.929 78 F CB -2.356 36.603 39.000 -0.069 0.000 0.873 78 F HN 0.027 nan 8.300 nan 0.000 0.787 79 S N -1.683 113.996 115.700 -0.035 0.000 2.952 79 S HA 0.123 4.598 4.470 0.008 0.000 0.251 79 S C 1.309 175.880 174.600 -0.049 0.000 1.021 79 S CA -0.011 58.174 58.200 -0.025 0.000 1.067 79 S CB 0.231 63.404 63.200 -0.044 0.000 1.002 79 S HN 0.534 nan 8.310 nan 0.000 0.574 80 E N 2.677 122.842 120.200 -0.059 0.000 2.338 80 E HA -0.218 4.137 4.350 0.008 0.000 0.197 80 E C 1.547 178.174 176.600 0.045 0.000 1.007 80 E CA 1.144 57.515 56.400 -0.048 0.000 0.849 80 E CB -0.370 29.295 29.700 -0.058 0.000 0.774 80 E HN 0.820 nan 8.360 nan 0.000 0.506 81 E N 1.867 122.121 120.200 0.091 0.000 2.209 81 E HA -0.221 4.134 4.350 0.008 0.000 0.196 81 E C 1.268 177.943 176.600 0.124 0.000 0.993 81 E CA 0.949 57.456 56.400 0.178 0.000 0.819 81 E CB -0.504 29.320 29.700 0.207 0.000 0.745 81 E HN 0.210 nan 8.360 nan 0.000 0.477 82 N N 0.939 119.695 118.700 0.093 0.000 2.120 82 N HA -0.123 4.622 4.740 0.008 0.000 0.188 82 N C 1.987 177.601 175.510 0.173 0.000 1.024 82 N CA 1.129 54.258 53.050 0.132 0.000 0.852 82 N CB -0.433 38.119 38.487 0.109 0.000 1.003 82 N HN 0.203 nan 8.380 nan 0.000 0.424 83 L N 1.965 123.262 121.223 0.124 0.000 2.056 83 L HA -0.047 4.298 4.340 0.008 0.000 0.207 83 L C 1.940 178.889 176.870 0.132 0.000 1.078 83 L CA 1.663 56.595 54.840 0.155 0.000 0.749 83 L CB -0.497 41.626 42.059 0.107 0.000 0.901 83 L HN -0.035 nan 8.230 nan 0.000 0.433 84 E N -0.753 119.490 120.200 0.073 0.000 2.077 84 E HA -0.244 4.111 4.350 0.008 0.000 0.193 84 E C 2.077 178.526 176.600 -0.250 0.000 0.989 84 E CA 1.267 57.691 56.400 0.041 0.000 0.800 84 E CB -0.612 29.214 29.700 0.211 0.000 0.746 84 E HN 0.521 nan 8.360 nan 0.000 0.452 85 F N -0.017 119.474 119.950 -0.765 0.000 2.075 85 F HA -0.195 4.337 4.527 0.008 0.000 0.297 85 F C 2.273 177.807 175.800 -0.444 0.000 1.113 85 F CA 1.539 58.870 58.000 -1.115 0.000 1.218 85 F CB -0.701 37.754 39.000 -0.908 0.000 0.984 85 F HN 0.096 nan 8.300 nan 0.000 0.472 86 W N 1.039 122.078 121.300 -0.436 0.000 2.335 86 W HA -0.222 4.444 4.660 0.009 0.000 0.311 86 W C 2.093 178.412 176.519 -0.333 0.000 1.213 86 W CA 2.467 59.578 57.345 -0.389 0.000 1.274 86 W CB -0.452 28.944 29.460 -0.108 0.000 1.148 86 W HN 0.073 nan 8.180 nan 0.000 0.498 87 L N 0.218 121.451 121.223 0.016 0.000 2.083 87 L HA -0.179 4.166 4.340 0.008 0.000 0.209 87 L C 2.721 179.454 176.870 -0.229 0.000 1.083 87 L CA 1.319 56.111 54.840 -0.081 0.000 0.752 87 L CB -1.394 40.711 42.059 0.077 0.000 0.899 87 L HN 0.079 nan 8.230 nan 0.000 0.433 88 A N -0.750 121.914 122.820 -0.259 0.000 1.933 88 A HA -0.230 4.095 4.320 0.008 0.000 0.218 88 A C 2.401 179.786 177.584 -0.332 0.000 1.175 88 A CA 1.899 53.800 52.037 -0.227 0.000 0.628 88 A CB -1.152 17.749 19.000 -0.165 0.000 0.814 88 A HN 0.547 nan 8.150 nan 0.000 0.444 89 C N -0.551 118.387 119.300 -0.602 0.000 2.440 89 C HA -0.051 4.414 4.460 0.008 0.000 0.278 89 C C 2.659 177.436 174.990 -0.355 0.000 1.295 89 C CA 0.966 59.656 59.018 -0.547 0.000 1.738 89 C CB -1.017 26.239 27.740 -0.806 0.000 1.987 89 C HN 0.590 nan 8.230 nan 0.000 0.492 90 E N 0.797 120.675 120.200 -0.537 0.000 2.077 90 E HA -0.184 4.171 4.350 0.008 0.000 0.193 90 E C 2.162 178.628 176.600 -0.224 0.000 0.989 90 E CA 0.926 57.058 56.400 -0.447 0.000 0.800 90 E CB -0.545 28.802 29.700 -0.588 0.000 0.746 90 E HN 0.636 nan 8.360 nan 0.000 0.452 91 E N 0.415 120.519 120.200 -0.160 0.000 2.072 91 E HA -0.149 4.206 4.350 0.008 0.000 0.191 91 E C 2.005 178.598 176.600 -0.013 0.000 0.985 91 E CA 0.403 56.761 56.400 -0.071 0.000 0.801 91 E CB -0.299 29.379 29.700 -0.037 0.000 0.750 91 E HN 0.187 nan 8.360 nan 0.000 0.452 92 F N 2.093 121.965 119.950 -0.129 0.000 2.091 92 F HA -0.204 4.327 4.527 0.007 0.000 0.299 92 F C 2.079 177.851 175.800 -0.047 0.000 1.103 92 F CA 1.752 59.715 58.000 -0.062 0.000 1.228 92 F CB -0.085 38.887 39.000 -0.047 0.000 0.984 92 F HN -0.082 nan 8.300 nan 0.000 0.477 93 K N 0.031 120.374 120.400 -0.095 0.000 2.442 93 K HA -0.149 4.176 4.320 0.008 0.000 0.198 93 K C 1.625 178.102 176.600 -0.206 0.000 1.044 93 K CA 1.170 57.343 56.287 -0.191 0.000 0.948 93 K CB -0.138 32.305 32.500 -0.095 0.000 0.762 93 K HN 0.350 nan 8.250 nan 0.000 0.472 94 K N 0.250 120.546 120.400 -0.173 0.000 2.426 94 K HA 0.033 4.358 4.320 0.008 0.000 0.193 94 K C 0.151 176.663 176.600 -0.146 0.000 1.028 94 K CA 0.271 56.476 56.287 -0.136 0.000 1.047 94 K CB 0.463 32.905 32.500 -0.096 0.000 0.821 94 K HN 0.003 nan 8.250 nan 0.000 0.513 95 T N 1.422 115.847 114.554 -0.215 0.000 2.901 95 T HA 0.116 4.471 4.350 0.008 0.000 0.301 95 T C 0.718 175.318 174.700 -0.166 0.000 1.012 95 T CA -0.105 61.883 62.100 -0.187 0.000 1.135 95 T CB 1.003 69.717 68.868 -0.257 0.000 0.936 95 T HN 0.199 nan 8.240 nan 0.000 0.539 96 R N 0.564 121.001 120.500 -0.106 0.000 2.509 96 R HA 0.301 4.646 4.340 0.008 0.000 0.297 96 R C 0.576 176.839 176.300 -0.062 0.000 0.951 96 R CA -0.302 55.747 56.100 -0.084 0.000 1.103 96 R CB 0.504 30.765 30.300 -0.063 0.000 1.283 96 R HN 0.468 nan 8.270 nan 0.000 0.534 97 S N -0.154 115.514 115.700 -0.054 0.000 2.437 97 S HA 0.233 4.708 4.470 0.008 0.000 0.305 97 S C 0.732 175.318 174.600 -0.023 0.000 1.109 97 S CA -0.559 57.624 58.200 -0.029 0.000 1.099 97 S CB 1.211 64.403 63.200 -0.014 0.000 1.004 97 S HN 0.185 nan 8.310 nan 0.000 0.475 98 T N 4.730 119.277 114.554 -0.013 0.000 2.684 98 T HA -0.107 4.248 4.350 0.008 0.000 0.267 98 T C 2.129 176.848 174.700 0.031 0.000 1.036 98 T CA 1.744 63.846 62.100 0.004 0.000 1.148 98 T CB -0.567 68.304 68.868 0.006 0.000 0.863 98 T HN 0.798 nan 8.240 nan 0.000 0.436 99 A N 1.747 124.584 122.820 0.029 0.000 1.908 99 A HA -0.147 4.178 4.320 0.008 0.000 0.218 99 A C 2.285 179.908 177.584 0.065 0.000 1.181 99 A CA 1.580 53.644 52.037 0.044 0.000 0.627 99 A CB -0.419 18.599 19.000 0.030 0.000 0.818 99 A HN 0.453 nan 8.150 nan 0.000 0.445 100 K N -0.740 119.691 120.400 0.051 0.000 2.097 100 K HA 0.003 4.328 4.320 0.008 0.000 0.205 100 K C 2.019 178.686 176.600 0.110 0.000 1.050 100 K CA 1.133 57.461 56.287 0.068 0.000 0.938 100 K CB -0.362 32.160 32.500 0.036 0.000 0.718 100 K HN 0.520 nan 8.250 nan 0.000 0.442 101 L N 1.180 122.448 121.223 0.075 0.000 1.989 101 L HA -0.224 4.121 4.340 0.008 0.000 0.211 101 L C 2.164 179.222 176.870 0.314 0.000 1.071 101 L CA 1.261 56.174 54.840 0.121 0.000 0.749 101 L CB -0.214 41.828 42.059 -0.029 0.000 0.890 101 L HN -0.067 nan 8.230 nan 0.000 0.431 102 V N -0.871 119.175 119.914 0.219 0.000 2.332 102 V HA -0.310 3.815 4.120 0.008 0.000 0.248 102 V C 2.720 179.021 176.094 0.345 0.000 1.055 102 V CA 1.945 64.404 62.300 0.266 0.000 1.038 102 V CB -0.641 31.300 31.823 0.198 0.000 0.651 102 V HN 0.603 nan 8.190 nan 0.000 0.450 103 S N -0.461 115.388 115.700 0.247 0.000 2.343 103 S HA -0.259 4.216 4.470 0.008 0.000 0.219 103 S C 2.102 176.854 174.600 0.252 0.000 1.033 103 S CA 1.951 60.282 58.200 0.219 0.000 1.014 103 S CB -0.247 63.036 63.200 0.139 0.000 0.915 103 S HN 0.609 nan 8.310 nan 0.000 0.435 104 K N 0.829 121.390 120.400 0.267 0.000 2.063 104 K HA -0.091 4.234 4.320 0.008 0.000 0.208 104 K C 2.419 179.178 176.600 0.265 0.000 1.048 104 K CA 1.309 57.771 56.287 0.291 0.000 0.928 104 K CB -0.469 32.280 32.500 0.415 0.000 0.713 104 K HN 0.464 nan 8.250 nan 0.000 0.442 105 A N 1.011 124.024 122.820 0.322 0.000 1.902 105 A HA -0.204 4.121 4.320 0.008 0.000 0.217 105 A C 1.753 179.444 177.584 0.178 0.000 1.181 105 A CA 1.633 53.786 52.037 0.193 0.000 0.623 105 A CB -0.774 18.279 19.000 0.087 0.000 0.818 105 A HN 0.341 nan 8.150 nan 0.000 0.443 106 H N -0.798 118.399 119.070 0.213 0.000 2.389 106 H HA -0.017 4.544 4.556 0.007 0.000 0.299 106 H C 2.387 177.832 175.328 0.194 0.000 1.081 106 H CA 1.735 57.891 56.048 0.180 0.000 1.345 106 H CB -0.013 29.809 29.762 0.101 0.000 1.393 106 H HN 0.429 nan 8.280 nan 0.000 0.520 107 R N 0.043 120.695 120.500 0.253 0.000 2.075 107 R HA -0.070 4.275 4.340 0.008 0.000 0.232 107 R C 2.189 178.568 176.300 0.131 0.000 1.126 107 R CA 1.445 57.642 56.100 0.161 0.000 0.963 107 R CB -0.210 30.166 30.300 0.127 0.000 0.858 107 R HN 0.310 nan 8.270 nan 0.000 0.435 108 I N -0.118 120.538 120.570 0.142 0.000 2.226 108 I HA -0.280 3.895 4.170 0.008 0.000 0.245 108 I C 2.130 178.376 176.117 0.215 0.000 1.100 108 I CA 1.248 62.631 61.300 0.138 0.000 1.374 108 I CB -0.209 37.607 38.000 -0.306 0.000 1.057 108 I HN 0.080 nan 8.210 nan 0.000 0.413 109 F N 1.778 121.824 119.950 0.159 0.000 2.113 109 F HA -0.195 4.336 4.527 0.007 0.000 0.297 109 F C 2.500 178.351 175.800 0.086 0.000 1.103 109 F CA 1.691 59.800 58.000 0.181 0.000 1.248 109 F CB -0.135 38.964 39.000 0.164 0.000 0.999 109 F HN -0.002 nan 8.300 nan 0.000 0.475 110 E N -0.393 119.986 120.200 0.300 0.000 2.085 110 E HA -0.294 4.061 4.350 0.008 0.000 0.194 110 E C 1.941 178.507 176.600 -0.057 0.000 0.994 110 E CA 1.587 58.072 56.400 0.142 0.000 0.801 110 E CB -0.224 29.558 29.700 0.137 0.000 0.743 110 E HN 0.386 nan 8.360 nan 0.000 0.453 111 E N -0.486 119.618 120.200 -0.160 0.000 2.170 111 E HA -0.075 4.280 4.350 0.008 0.000 0.191 111 E C 1.025 177.247 176.600 -0.631 0.000 0.981 111 E CA 0.975 57.095 56.400 -0.466 0.000 0.830 111 E CB 0.161 29.418 29.700 -0.738 0.000 0.775 111 E HN 0.174 nan 8.360 nan 0.000 0.470 112 F N -2.017 117.841 119.950 -0.154 0.000 2.747 112 F HA 0.224 4.755 4.527 0.006 0.000 0.305 112 F C 1.601 177.131 175.800 -0.450 0.000 1.065 112 F CA 0.005 57.838 58.000 -0.278 0.000 1.230 112 F CB 0.655 39.470 39.000 -0.309 0.000 1.027 112 F HN -0.105 nan 8.300 nan 0.000 0.607 113 V N -1.738 117.952 119.914 -0.372 0.000 2.908 113 V HA 0.022 4.147 4.120 0.008 0.000 0.240 113 V C 0.611 176.302 176.094 -0.673 0.000 1.117 113 V CA 0.214 62.140 62.300 -0.623 0.000 1.133 113 V CB -0.062 31.270 31.823 -0.819 0.000 0.857 113 V HN 0.077 nan 8.190 nan 0.000 0.478 114 D N 0.740 120.699 120.400 -0.734 0.000 2.423 114 D HA -0.003 4.642 4.640 0.008 0.000 0.238 114 D C 1.241 177.457 176.300 -0.140 0.000 1.142 114 D CA 0.398 54.213 54.000 -0.309 0.000 0.884 114 D CB 2.069 42.863 40.800 -0.009 0.000 1.199 114 D HN -0.039 nan 8.370 nan 0.000 0.438 115 V N 3.015 122.908 119.914 -0.034 0.000 2.594 115 V HA -0.215 3.910 4.120 0.008 0.000 0.253 115 V C 1.941 178.024 176.094 -0.018 0.000 1.069 115 V CA 1.487 63.779 62.300 -0.013 0.000 1.082 115 V CB -0.322 31.521 31.823 0.034 0.000 0.680 115 V HN 0.566 nan 8.190 nan 0.000 0.469 116 Q N -0.229 119.566 119.800 -0.007 0.000 2.365 116 Q HA 0.309 4.654 4.340 0.008 0.000 0.203 116 Q C 0.817 176.796 176.000 -0.035 0.000 0.929 116 Q CA 0.294 56.090 55.803 -0.011 0.000 0.948 116 Q CB -0.166 28.577 28.738 0.009 0.000 1.043 116 Q HN 0.588 nan 8.270 nan 0.000 0.505 117 A N 3.194 125.974 122.820 -0.066 0.000 2.477 117 A HA 0.188 4.513 4.320 0.008 0.000 0.246 117 A C -1.073 176.454 177.584 -0.096 0.000 1.078 117 A CA -0.903 51.073 52.037 -0.102 0.000 0.770 117 A CB 0.223 19.127 19.000 -0.160 0.000 1.011 117 A HN 0.008 nan 8.150 nan 0.000 0.494 118 P HA -0.129 nan 4.420 nan 0.000 0.218 118 P C 0.474 177.723 177.300 -0.085 0.000 1.149 118 P CA 1.234 64.281 63.100 -0.089 0.000 0.817 118 P CB 0.183 31.824 31.700 -0.099 0.000 0.785 119 R N 0.282 120.700 120.500 -0.136 0.000 2.997 119 R HA 0.206 4.551 4.340 0.008 0.000 0.358 119 R C 0.345 176.665 176.300 0.032 0.000 1.191 119 R CA -0.318 55.756 56.100 -0.042 0.000 1.113 119 R CB 0.176 30.453 30.300 -0.038 0.000 1.433 119 R HN 0.247 nan 8.270 nan 0.000 0.584 120 E N 2.048 122.228 120.200 -0.033 0.000 2.417 120 E HA 0.015 4.370 4.350 0.008 0.000 0.261 120 E C 0.119 176.691 176.600 -0.046 0.000 1.000 120 E CA -0.204 56.159 56.400 -0.062 0.000 0.919 120 E CB 0.810 30.465 29.700 -0.075 0.000 0.955 120 E HN 0.093 nan 8.360 nan 0.000 0.455 121 V N 2.841 122.684 119.914 -0.119 0.000 2.732 121 V HA 0.197 4.322 4.120 0.008 0.000 0.297 121 V C 0.376 176.409 176.094 -0.102 0.000 1.060 121 V CA -0.982 61.238 62.300 -0.134 0.000 1.038 121 V CB 1.458 33.094 31.823 -0.311 0.000 1.003 121 V HN 0.636 nan 8.190 nan 0.000 0.481 122 N N 4.303 122.975 118.700 -0.047 0.000 2.549 122 N HA 0.308 5.053 4.740 0.008 0.000 0.267 122 N C -0.573 174.929 175.510 -0.013 0.000 1.182 122 N CA -0.151 52.887 53.050 -0.019 0.000 1.019 122 N CB -0.534 37.955 38.487 0.003 0.000 1.380 122 N HN 0.881 nan 8.380 nan 0.000 0.505 123 I N -1.072 119.483 120.570 -0.025 0.000 2.934 123 I HA 0.582 4.757 4.170 0.008 0.000 0.306 123 I C -0.310 175.816 176.117 0.015 0.000 1.110 123 I CA -1.245 60.052 61.300 -0.004 0.000 1.019 123 I CB 1.830 39.814 38.000 -0.026 0.000 1.227 123 I HN 0.068 nan 8.210 nan 0.000 0.434 124 D N 2.566 122.987 120.400 0.035 0.000 2.398 124 D HA 0.065 4.710 4.640 0.008 0.000 0.247 124 D C 0.712 177.065 176.300 0.088 0.000 1.227 124 D CA -0.308 53.735 54.000 0.072 0.000 0.980 124 D CB 0.677 41.524 40.800 0.079 0.000 1.106 124 D HN 0.692 nan 8.370 nan 0.000 0.493 125 F N 0.069 120.027 119.950 0.014 0.000 2.102 125 F HA -0.234 4.298 4.527 0.009 0.000 0.298 125 F C 2.207 178.025 175.800 0.030 0.000 1.105 125 F CA 1.506 59.519 58.000 0.020 0.000 1.239 125 F CB -0.012 38.999 39.000 0.019 0.000 0.991 125 F HN 0.111 nan 8.300 nan 0.000 0.474 126 Q N 0.180 119.919 119.800 -0.102 0.000 2.096 126 Q HA -0.175 4.170 4.340 0.008 0.000 0.204 126 Q C 2.240 178.117 176.000 -0.205 0.000 0.982 126 Q CA 2.335 58.021 55.803 -0.195 0.000 0.850 126 Q CB -1.149 27.589 28.738 0.001 0.000 0.901 126 Q HN 0.439 nan 8.270 nan 0.000 0.422 127 T N 0.593 115.083 114.554 -0.107 0.000 2.812 127 T HA -0.108 4.247 4.350 0.008 0.000 0.264 127 T C 1.862 176.515 174.700 -0.078 0.000 1.042 127 T CA 1.258 63.323 62.100 -0.059 0.000 1.140 127 T CB -0.089 68.780 68.868 0.002 0.000 0.870 127 T HN 0.284 nan 8.240 nan 0.000 0.445 128 R N 0.963 121.391 120.500 -0.120 0.000 2.073 128 R HA -0.139 4.206 4.340 0.008 0.000 0.234 128 R C 2.455 178.698 176.300 -0.095 0.000 1.134 128 R CA 1.740 57.788 56.100 -0.087 0.000 0.952 128 R CB -0.169 30.087 30.300 -0.075 0.000 0.850 128 R HN 0.252 nan 8.270 nan 0.000 0.433 129 E N 0.473 120.453 120.200 -0.366 0.000 2.077 129 E HA -0.134 4.221 4.350 0.008 0.000 0.193 129 E C 1.690 178.184 176.600 -0.177 0.000 0.989 129 E CA 1.744 57.922 56.400 -0.370 0.000 0.800 129 E CB -0.278 28.902 29.700 -0.866 0.000 0.746 129 E HN 0.433 nan 8.360 nan 0.000 0.452 130 A N -0.324 122.401 122.820 -0.158 0.000 1.908 130 A HA -0.217 4.108 4.320 0.008 0.000 0.218 130 A C 2.458 180.006 177.584 -0.059 0.000 1.181 130 A CA 2.315 54.300 52.037 -0.087 0.000 0.627 130 A CB -1.177 17.785 19.000 -0.064 0.000 0.818 130 A HN 0.401 nan 8.150 nan 0.000 0.445 131 T N -0.909 113.639 114.554 -0.009 0.000 2.777 131 T HA -0.133 4.222 4.350 0.008 0.000 0.266 131 T C 2.052 176.762 174.700 0.018 0.000 1.040 131 T CA 1.350 63.469 62.100 0.032 0.000 1.141 131 T CB -0.233 68.749 68.868 0.190 0.000 0.868 131 T HN 0.550 nan 8.240 nan 0.000 0.444 132 R N 1.221 121.772 120.500 0.086 0.000 2.081 132 R HA -0.076 4.269 4.340 0.008 0.000 0.235 132 R C 2.255 178.448 176.300 -0.179 0.000 1.131 132 R CA 1.370 57.407 56.100 -0.106 0.000 0.960 132 R CB -0.058 30.255 30.300 0.022 0.000 0.856 132 R HN 0.327 nan 8.270 nan 0.000 0.436 133 K N -0.058 120.277 120.400 -0.109 0.000 2.097 133 K HA -0.070 4.255 4.320 0.008 0.000 0.205 133 K C 1.745 178.273 176.600 -0.120 0.000 1.050 133 K CA 1.261 57.488 56.287 -0.099 0.000 0.938 133 K CB -0.120 32.339 32.500 -0.069 0.000 0.718 133 K HN 0.208 nan 8.250 nan 0.000 0.442 134 N N 1.249 119.862 118.700 -0.144 0.000 2.289 134 N HA -0.146 4.598 4.740 0.008 0.000 0.184 134 N C 1.512 176.891 175.510 -0.218 0.000 1.016 134 N CA 0.729 53.675 53.050 -0.173 0.000 0.872 134 N CB -0.152 38.204 38.487 -0.219 0.000 0.973 134 N HN 0.051 nan 8.380 nan 0.000 0.433 135 L N 1.377 122.431 121.223 -0.282 0.000 2.465 135 L HA -0.005 4.340 4.340 0.008 0.000 0.224 135 L C 1.823 178.577 176.870 -0.193 0.000 1.145 135 L CA 1.090 55.723 54.840 -0.345 0.000 0.834 135 L CB -0.337 41.390 42.059 -0.554 0.000 0.944 135 L HN 0.142 nan 8.230 nan 0.000 0.451 136 Q N 0.256 119.978 119.800 -0.131 0.000 2.119 136 Q HA -0.031 4.314 4.340 0.008 0.000 0.201 136 Q C 0.594 176.576 176.000 -0.030 0.000 0.972 136 Q CA 1.481 57.248 55.803 -0.060 0.000 0.847 136 Q CB -0.094 28.610 28.738 -0.057 0.000 0.903 136 Q HN 0.623 nan 8.270 nan 0.000 0.433 137 E N 1.394 121.568 120.200 -0.044 0.000 2.914 137 E HA 0.312 4.667 4.350 0.008 0.000 0.246 137 E C -2.785 173.800 176.600 -0.025 0.000 1.146 137 E CA -1.879 54.509 56.400 -0.019 0.000 0.803 137 E CB 0.489 30.178 29.700 -0.018 0.000 1.409 137 E HN 0.034 nan 8.360 nan 0.000 0.392 138 P HA 0.263 nan 4.420 nan 0.000 0.267 138 P C -0.013 177.318 177.300 0.051 0.000 1.205 138 P CA 0.221 63.323 63.100 0.003 0.000 0.765 138 P CB 1.325 33.060 31.700 0.058 0.000 0.828 139 S N 1.824 117.560 115.700 0.060 0.000 2.745 139 S HA 0.400 4.875 4.470 0.008 0.000 0.306 139 S C 0.901 175.573 174.600 0.121 0.000 1.137 139 S CA -0.883 57.346 58.200 0.048 0.000 0.900 139 S CB 0.670 63.873 63.200 0.006 0.000 1.176 139 S HN 0.210 nan 8.310 nan 0.000 0.520 140 L N 0.837 122.064 121.223 0.008 0.000 2.450 140 L HA -0.008 4.337 4.340 0.008 0.000 0.224 140 L C 2.191 179.157 176.870 0.160 0.000 1.149 140 L CA 1.447 56.273 54.840 -0.023 0.000 0.816 140 L CB -0.831 41.150 42.059 -0.131 0.000 0.932 140 L HN 0.996 nan 8.230 nan 0.000 0.449 141 T N -6.056 108.561 114.554 0.105 0.000 3.122 141 T HA -0.041 4.314 4.350 0.008 0.000 0.250 141 T C 1.802 176.520 174.700 0.029 0.000 1.067 141 T CA 0.035 62.177 62.100 0.070 0.000 0.966 141 T CB -0.476 68.401 68.868 0.015 0.000 1.002 141 T HN 0.304 nan 8.240 nan 0.000 0.542 142 C N 1.210 120.510 119.300 0.000 0.000 2.375 142 C HA -0.138 4.327 4.460 0.008 0.000 0.274 142 C C 1.590 176.296 174.990 -0.473 0.000 1.190 142 C CA 0.861 59.668 59.018 -0.353 0.000 1.775 142 C CB -1.510 25.814 27.740 -0.693 0.000 2.067 142 C HN 0.686 nan 8.230 nan 0.000 0.463 143 F N 0.419 120.357 119.950 -0.020 0.000 2.664 143 F HA 0.215 4.747 4.527 0.008 0.000 0.303 143 F C 1.604 177.404 175.800 0.000 0.000 1.092 143 F CA 0.150 58.142 58.000 -0.013 0.000 1.305 143 F CB -0.485 38.437 39.000 -0.131 0.000 1.054 143 F HN 0.142 nan 8.300 nan 0.000 0.565 144 D N 0.444 120.911 120.400 0.112 0.000 2.104 144 D HA -0.238 4.407 4.640 0.008 0.000 0.194 144 D C 2.201 178.553 176.300 0.086 0.000 0.994 144 D CA 1.349 55.389 54.000 0.068 0.000 0.830 144 D CB -0.227 40.593 40.800 0.033 0.000 0.959 144 D HN 0.336 nan 8.370 nan 0.000 0.452 145 Q N -0.057 119.793 119.800 0.083 0.000 2.020 145 Q HA -0.151 4.194 4.340 0.008 0.000 0.202 145 Q C 2.057 178.142 176.000 0.142 0.000 0.982 145 Q CA 1.766 57.621 55.803 0.087 0.000 0.838 145 Q CB -0.111 28.658 28.738 0.051 0.000 0.899 145 Q HN 0.243 nan 8.270 nan 0.000 0.423 146 A N 0.468 123.412 122.820 0.208 0.000 1.902 146 A HA -0.258 4.067 4.320 0.008 0.000 0.217 146 A C 1.983 179.822 177.584 0.425 0.000 1.181 146 A CA 1.651 53.869 52.037 0.302 0.000 0.623 146 A CB -0.758 18.481 19.000 0.398 0.000 0.818 146 A HN 0.585 nan 8.150 nan 0.000 0.443 147 Q N -0.614 119.393 119.800 0.345 0.000 2.096 147 Q HA -0.146 4.199 4.340 0.008 0.000 0.204 147 Q C 2.089 178.270 176.000 0.301 0.000 0.982 147 Q CA 1.704 57.635 55.803 0.212 0.000 0.850 147 Q CB -0.539 28.145 28.738 -0.089 0.000 0.901 147 Q HN 0.601 nan 8.270 nan 0.000 0.422 148 G N 1.143 110.070 108.800 0.212 0.000 2.446 148 G HA2 -0.262 3.703 3.960 0.008 0.000 0.217 148 G HA3 -0.262 3.703 3.960 0.008 0.000 0.217 148 G C 1.466 176.508 174.900 0.236 0.000 1.168 148 G CA 0.775 45.994 45.100 0.200 0.000 0.771 148 G HN 0.184 nan 8.290 nan 0.000 0.551 149 K N 0.191 120.714 120.400 0.205 0.000 2.057 149 K HA 0.000 4.325 4.320 0.008 0.000 0.207 149 K C 2.640 179.358 176.600 0.196 0.000 1.049 149 K CA 0.805 57.194 56.287 0.171 0.000 0.931 149 K CB -0.840 31.738 32.500 0.131 0.000 0.714 149 K HN 0.296 nan 8.250 nan 0.000 0.440 150 V N 1.080 121.159 119.914 0.274 0.000 2.453 150 V HA -0.200 3.925 4.120 0.008 0.000 0.247 150 V C 2.478 178.732 176.094 0.268 0.000 1.048 150 V CA 1.383 63.850 62.300 0.278 0.000 1.049 150 V CB -0.609 31.465 31.823 0.419 0.000 0.672 150 V HN 0.423 nan 8.190 nan 0.000 0.457 151 H N 0.086 119.310 119.070 0.256 0.000 2.289 151 H HA -0.205 4.355 4.556 0.008 0.000 0.296 151 H C 2.633 178.018 175.328 0.096 0.000 1.091 151 H CA 2.215 58.365 56.048 0.170 0.000 1.274 151 H CB -0.115 29.799 29.762 0.252 0.000 1.364 151 H HN 0.434 nan 8.280 nan 0.000 0.490 152 S N -0.039 115.772 115.700 0.184 0.000 2.370 152 S HA -0.146 4.329 4.470 0.008 0.000 0.226 152 S C 2.294 176.879 174.600 -0.026 0.000 1.033 152 S CA 1.259 59.499 58.200 0.067 0.000 1.011 152 S CB -0.498 62.769 63.200 0.113 0.000 0.852 152 S HN 0.366 nan 8.310 nan 0.000 0.457 153 L N 1.561 122.794 121.223 0.017 0.000 1.994 153 L HA -0.004 4.341 4.340 0.008 0.000 0.208 153 L C 2.356 179.200 176.870 -0.043 0.000 1.071 153 L CA 2.081 56.924 54.840 0.005 0.000 0.745 153 L CB -0.708 41.379 42.059 0.046 0.000 0.892 153 L HN 0.390 nan 8.230 nan 0.000 0.431 154 M N -0.993 118.570 119.600 -0.062 0.000 2.117 154 M HA -0.238 4.247 4.480 0.008 0.000 0.262 154 M C 2.283 178.294 176.300 -0.482 0.000 1.065 154 M CA 2.112 57.354 55.300 -0.097 0.000 1.114 154 M CB -0.548 32.098 32.600 0.076 0.000 1.361 154 M HN 0.388 nan 8.290 nan 0.000 0.408 155 E N 0.719 120.443 120.200 -0.794 0.000 2.077 155 E HA -0.190 4.165 4.350 0.008 0.000 0.193 155 E C 1.773 178.154 176.600 -0.366 0.000 0.989 155 E CA 1.302 57.106 56.400 -0.993 0.000 0.800 155 E CB 0.208 29.480 29.700 -0.712 0.000 0.746 155 E HN 0.431 nan 8.360 nan 0.000 0.452 156 K N -0.460 119.821 120.400 -0.199 0.000 2.262 156 K HA -0.026 4.299 4.320 0.008 0.000 0.200 156 K C 1.409 177.983 176.600 -0.043 0.000 1.049 156 K CA 1.075 57.312 56.287 -0.084 0.000 0.979 156 K CB 0.182 32.654 32.500 -0.047 0.000 0.773 156 K HN 0.060 nan 8.250 nan 0.000 0.474 157 D N -0.159 120.223 120.400 -0.031 0.000 2.805 157 D HA 0.033 4.678 4.640 0.008 0.000 0.271 157 D C 1.664 178.006 176.300 0.069 0.000 1.166 157 D CA 0.887 54.897 54.000 0.017 0.000 1.004 157 D CB 0.198 41.011 40.800 0.023 0.000 1.136 157 D HN -0.157 nan 8.370 nan 0.000 0.444 158 S N -0.714 115.055 115.700 0.115 0.000 2.371 158 S HA -0.105 4.370 4.470 0.008 0.000 0.224 158 S C 1.765 176.591 174.600 0.377 0.000 1.029 158 S CA 0.671 59.035 58.200 0.274 0.000 0.978 158 S CB -0.523 62.823 63.200 0.244 0.000 0.833 158 S HN 0.371 nan 8.310 nan 0.000 0.466 159 Y N 3.446 123.787 120.300 0.069 0.000 2.145 159 Y HA -0.037 4.518 4.550 0.009 0.000 0.286 159 Y C -1.194 174.679 175.900 -0.045 0.000 1.145 159 Y CA 0.936 59.005 58.100 -0.050 0.000 1.148 159 Y CB -1.526 36.556 38.460 -0.630 0.000 0.981 159 Y HN 0.199 nan 8.280 nan 0.000 0.507 160 P HA -0.159 nan 4.420 nan 0.000 0.216 160 P C 1.316 178.487 177.300 -0.216 0.000 1.150 160 P CA 2.225 65.156 63.100 -0.282 0.000 0.837 160 P CB -0.077 31.541 31.700 -0.137 0.000 0.786 161 R N -1.919 118.538 120.500 -0.071 0.000 2.075 161 R HA -0.092 4.253 4.340 0.008 0.000 0.232 161 R C 2.232 178.346 176.300 -0.311 0.000 1.126 161 R CA 1.069 57.156 56.100 -0.022 0.000 0.963 161 R CB -1.071 29.375 30.300 0.244 0.000 0.858 161 R HN 0.191 nan 8.270 nan 0.000 0.435 162 F N 1.905 121.384 119.950 -0.785 0.000 2.091 162 F HA -0.222 4.310 4.527 0.009 0.000 0.299 162 F C 1.814 177.123 175.800 -0.818 0.000 1.103 162 F CA 1.557 58.778 58.000 -1.298 0.000 1.228 162 F CB -0.318 38.316 39.000 -0.611 0.000 0.984 162 F HN -0.091 nan 8.300 nan 0.000 0.477 163 L N -0.178 120.538 121.223 -0.844 0.000 2.191 163 L HA -0.146 4.199 4.340 0.008 0.000 0.212 163 L C 2.120 178.713 176.870 -0.462 0.000 1.103 163 L CA 1.226 55.460 54.840 -1.011 0.000 0.769 163 L CB -0.494 41.107 42.059 -0.764 0.000 0.908 163 L HN 0.102 nan 8.230 nan 0.000 0.438 164 R N -0.503 119.804 120.500 -0.321 0.000 2.334 164 R HA 0.080 4.425 4.340 0.008 0.000 0.216 164 R C 0.819 177.062 176.300 -0.096 0.000 0.905 164 R CA -0.065 55.951 56.100 -0.141 0.000 1.064 164 R CB 0.272 30.512 30.300 -0.101 0.000 1.046 164 R HN 0.263 nan 8.270 nan 0.000 0.508 165 S N 0.427 116.021 115.700 -0.177 0.000 2.564 165 S HA 0.194 4.669 4.470 0.008 0.000 0.278 165 S C 1.505 176.102 174.600 -0.004 0.000 1.333 165 S CA -0.044 58.116 58.200 -0.068 0.000 1.048 165 S CB 1.655 64.771 63.200 -0.140 0.000 0.900 165 S HN 0.250 nan 8.310 nan 0.000 0.505 166 K N 3.066 123.491 120.400 0.042 0.000 2.113 166 K HA -0.199 4.126 4.320 0.008 0.000 0.208 166 K C 2.141 178.759 176.600 0.031 0.000 1.047 166 K CA 2.272 58.578 56.287 0.031 0.000 0.928 166 K CB -1.337 31.190 32.500 0.045 0.000 0.716 166 K HN 0.991 nan 8.250 nan 0.000 0.446 167 M N -1.729 117.920 119.600 0.081 0.000 2.099 167 M HA -0.026 4.459 4.480 0.008 0.000 0.262 167 M C 2.371 178.699 176.300 0.048 0.000 1.067 167 M CA 2.192 57.551 55.300 0.098 0.000 1.124 167 M CB -0.358 32.364 32.600 0.204 0.000 1.353 167 M HN 0.363 nan 8.290 nan 0.000 0.410 168 Y N 1.564 121.745 120.300 -0.198 0.000 2.274 168 Y HA -0.094 4.461 4.550 0.008 0.000 0.290 168 Y C 2.300 178.067 175.900 -0.222 0.000 1.145 168 Y CA 2.255 60.134 58.100 -0.367 0.000 1.203 168 Y CB -0.551 37.345 38.460 -0.940 0.000 0.984 168 Y HN 0.253 nan 8.280 nan 0.000 0.533 169 L N -0.681 120.409 121.223 -0.221 0.000 2.109 169 L HA -0.103 4.242 4.340 0.008 0.000 0.207 169 L C 2.033 178.792 176.870 -0.185 0.000 1.086 169 L CA 2.458 57.153 54.840 -0.243 0.000 0.760 169 L CB -1.393 40.600 42.059 -0.110 0.000 0.910 169 L HN 0.264 nan 8.230 nan 0.000 0.437 170 D N -0.517 119.818 120.400 -0.108 0.000 2.310 170 D HA 0.032 4.677 4.640 0.008 0.000 0.212 170 D C 1.294 177.546 176.300 -0.081 0.000 0.965 170 D CA 0.674 54.632 54.000 -0.070 0.000 0.879 170 D CB -0.057 40.728 40.800 -0.025 0.000 0.921 170 D HN 0.474 nan 8.370 nan 0.000 0.510 171 L N 0.000 121.152 121.223 -0.119 0.000 2.949 171 L HA 0.000 4.345 4.340 0.008 0.000 0.249 171 L CA 0.000 54.753 54.840 -0.145 0.000 0.813 171 L CB 0.000 41.891 42.059 -0.280 0.000 0.961 171 L HN 0.000 nan 8.230 nan 0.000 0.502