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 1lhu_1_A DATA FIRST_RESID 14 DATA SEQUENCE PAVHLSNGPG QEPIAVMTFD LTKITKTSSS FEVRTWDPEG VIFYGDTNPK DATA SEQUENCE DDWFMLGLRD GRPEIQLHNH WAQLTVGAGP RLDDGRWHQV EVKMEGDSVL DATA SEQUENCE LEVDGEEVLR LRQVSGPLTS KRHPIMRIAL GGLLFPASNL RLPLVPALDG DATA SEQUENCE cLRRDSWLDK QAEISASAPT SLRSc 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 14 P HA 0.000 nan 4.420 nan 0.000 0.216 14 P C 0.000 177.300 177.300 -0.001 0.000 1.155 14 P CA 0.000 63.094 63.100 -0.010 0.000 0.800 14 P CB 0.000 31.701 31.700 0.002 0.000 0.726 15 A N 1.210 124.048 122.820 0.030 0.000 2.337 15 A HA 0.758 5.079 4.320 0.002 0.000 0.329 15 A C -0.664 176.947 177.584 0.046 0.000 1.146 15 A CA -0.776 51.309 52.037 0.080 0.000 0.800 15 A CB 1.979 21.105 19.000 0.210 0.000 1.220 15 A HN 0.490 nan 8.150 nan 0.000 0.472 16 V N 3.143 123.096 119.914 0.065 0.000 2.715 16 V HA 0.403 4.525 4.120 0.002 0.000 0.310 16 V C -0.542 175.569 176.094 0.027 0.000 1.054 16 V CA -0.812 61.510 62.300 0.038 0.000 0.928 16 V CB 1.604 33.475 31.823 0.081 0.000 1.007 16 V HN 0.937 nan 8.190 nan 0.000 0.437 17 H N 6.021 125.147 119.070 0.094 0.000 2.848 17 H HA 0.199 4.756 4.556 0.002 0.000 0.317 17 H C 0.858 176.227 175.328 0.067 0.000 1.046 17 H CA 0.482 56.577 56.048 0.079 0.000 1.470 17 H CB 1.451 31.248 29.762 0.060 0.000 1.483 17 H HN 0.591 nan 8.280 nan 0.000 0.548 18 L N 2.413 123.753 121.223 0.196 0.000 2.478 18 L HA -0.057 4.284 4.340 0.002 0.000 0.223 18 L C 0.645 177.573 176.870 0.098 0.000 1.140 18 L CA 0.555 55.470 54.840 0.126 0.000 0.842 18 L CB 0.083 42.210 42.059 0.112 0.000 0.953 18 L HN 0.435 nan 8.230 nan 0.000 0.452 19 S N -1.347 114.419 115.700 0.110 0.000 2.526 19 S HA 0.479 4.950 4.470 0.002 0.000 0.293 19 S C -0.603 174.012 174.600 0.025 0.000 1.092 19 S CA -0.823 57.407 58.200 0.051 0.000 0.980 19 S CB 2.479 65.700 63.200 0.035 0.000 1.048 19 S HN 0.058 nan 8.310 nan 0.000 0.483 20 N N 0.619 119.321 118.700 0.003 0.000 2.519 20 N HA 0.513 5.255 4.740 0.002 0.000 0.291 20 N C 0.254 175.751 175.510 -0.021 0.000 1.107 20 N CA 0.689 53.730 53.050 -0.015 0.000 0.904 20 N CB 1.776 40.269 38.487 0.010 0.000 1.500 20 N HN 1.296 nan 8.380 nan 0.000 0.510 21 G N 4.227 113.008 108.800 -0.033 0.000 2.496 21 G HA2 -0.237 3.724 3.960 0.002 0.000 0.243 21 G HA3 -0.237 3.724 3.960 0.002 0.000 0.243 21 G C -1.285 173.600 174.900 -0.025 0.000 1.176 21 G CA 0.167 45.251 45.100 -0.026 0.000 0.940 21 G HN 0.474 nan 8.290 nan 0.000 0.573 22 P HA 0.164 nan 4.420 nan 0.000 0.217 22 P C 1.342 178.632 177.300 -0.017 0.000 1.151 22 P CA 2.703 65.792 63.100 -0.018 0.000 0.828 22 P CB -0.300 31.389 31.700 -0.018 0.000 0.788 23 G N -0.202 108.587 108.800 -0.018 0.000 2.173 23 G HA2 -0.188 3.774 3.960 0.002 0.000 0.174 23 G HA3 -0.188 3.774 3.960 0.002 0.000 0.174 23 G C 0.601 175.487 174.900 -0.023 0.000 1.025 23 G CA 0.267 45.358 45.100 -0.015 0.000 0.706 23 G HN 0.395 nan 8.290 nan 0.000 0.499 24 Q N -0.051 119.732 119.800 -0.029 0.000 2.019 24 Q HA 0.162 4.503 4.340 0.002 0.000 0.195 24 Q C 1.418 177.383 176.000 -0.058 0.000 0.981 24 Q CA 1.036 56.814 55.803 -0.041 0.000 0.832 24 Q CB 0.015 28.731 28.738 -0.038 0.000 0.902 24 Q HN 0.837 nan 8.270 nan 0.000 0.461 25 E N 2.442 122.610 120.200 -0.055 0.000 2.371 25 E HA 0.239 4.591 4.350 0.002 0.000 0.257 25 E C -2.322 174.242 176.600 -0.059 0.000 1.134 25 E CA -1.952 54.407 56.400 -0.068 0.000 0.919 25 E CB -0.064 29.602 29.700 -0.057 0.000 1.025 25 E HN 0.045 nan 8.360 nan 0.000 0.438 26 P HA 0.012 nan 4.420 nan 0.000 0.274 26 P C 0.752 178.031 177.300 -0.035 0.000 1.237 26 P CA -0.175 62.893 63.100 -0.052 0.000 0.793 26 P CB 0.717 32.377 31.700 -0.066 0.000 0.977 27 I N -2.088 118.470 120.570 -0.020 0.000 3.111 27 I HA 0.355 4.526 4.170 0.002 0.000 0.272 27 I C 0.554 176.659 176.117 -0.021 0.000 1.268 27 I CA 0.310 61.606 61.300 -0.007 0.000 1.467 27 I CB -0.125 37.888 38.000 0.021 0.000 1.087 27 I HN 0.243 nan 8.210 nan 0.000 0.467 28 A N 0.337 123.130 122.820 -0.046 0.000 2.594 28 A HA 0.713 5.035 4.320 0.002 0.000 0.296 28 A C -1.271 176.259 177.584 -0.089 0.000 1.056 28 A CA -0.446 51.553 52.037 -0.064 0.000 0.693 28 A CB 1.536 20.494 19.000 -0.069 0.000 1.278 28 A HN -0.043 nan 8.150 nan 0.000 0.408 29 V N 2.208 122.073 119.914 -0.081 0.000 2.525 29 V HA 0.599 4.720 4.120 0.002 0.000 0.299 29 V C -0.313 175.725 176.094 -0.093 0.000 1.034 29 V CA -0.149 62.107 62.300 -0.073 0.000 0.863 29 V CB 1.539 33.339 31.823 -0.039 0.000 0.999 29 V HN 0.903 nan 8.190 nan 0.000 0.423 30 M N 3.135 122.674 119.600 -0.102 0.000 2.436 30 M HA 0.601 5.083 4.480 0.002 0.000 0.331 30 M C -0.366 175.846 176.300 -0.146 0.000 1.135 30 M CA -0.250 54.945 55.300 -0.176 0.000 0.987 30 M CB 2.371 34.869 32.600 -0.171 0.000 1.687 30 M HN 0.548 nan 8.290 nan 0.000 0.445 31 T N 2.432 116.795 114.554 -0.318 0.000 2.829 31 T HA 0.736 5.087 4.350 0.002 0.000 0.280 31 T C -1.140 173.316 174.700 -0.406 0.000 0.999 31 T CA -0.402 61.595 62.100 -0.172 0.000 0.983 31 T CB 0.783 69.596 68.868 -0.092 0.000 0.968 31 T HN 0.286 nan 8.240 nan 0.000 0.446 32 F N 1.148 121.091 119.950 -0.013 0.000 2.563 32 F HA 0.407 4.936 4.527 0.002 0.000 0.316 32 F C 0.267 176.052 175.800 -0.025 0.000 1.076 32 F CA -1.319 56.674 58.000 -0.012 0.000 0.921 32 F CB 1.347 40.346 39.000 -0.002 0.000 1.209 32 F HN 0.375 nan 8.300 nan 0.000 0.462 33 D N 2.807 123.299 120.400 0.153 0.000 2.380 33 D HA 0.207 4.849 4.640 0.002 0.000 0.230 33 D C 0.881 177.230 176.300 0.082 0.000 1.154 33 D CA 0.096 54.138 54.000 0.069 0.000 0.859 33 D CB 0.959 41.781 40.800 0.037 0.000 1.045 33 D HN 0.556 nan 8.370 nan 0.000 0.495 34 L N 2.814 124.067 121.223 0.050 0.000 2.265 34 L HA -0.147 4.194 4.340 0.002 0.000 0.215 34 L C 2.360 179.244 176.870 0.024 0.000 1.117 34 L CA 1.333 56.194 54.840 0.035 0.000 0.782 34 L CB -0.413 41.657 42.059 0.019 0.000 0.914 34 L HN 0.496 nan 8.230 nan 0.000 0.441 35 T N -3.834 110.732 114.554 0.020 0.000 3.113 35 T HA -0.098 4.254 4.350 0.002 0.000 0.263 35 T C 1.519 176.231 174.700 0.020 0.000 1.143 35 T CA 0.623 62.733 62.100 0.016 0.000 1.090 35 T CB -0.029 68.846 68.868 0.012 0.000 0.922 35 T HN 0.295 nan 8.240 nan 0.000 0.521 36 K N 0.044 120.462 120.400 0.030 0.000 2.358 36 K HA 0.398 4.719 4.320 0.002 0.000 0.200 36 K C 0.196 176.818 176.600 0.038 0.000 1.030 36 K CA -0.247 56.060 56.287 0.033 0.000 1.097 36 K CB 0.492 33.016 32.500 0.040 0.000 0.862 36 K HN 0.408 nan 8.250 nan 0.000 0.534 37 I N 2.106 122.697 120.570 0.034 0.000 2.588 37 I HA -0.066 4.106 4.170 0.002 0.000 0.283 37 I C 1.179 177.298 176.117 0.004 0.000 1.119 37 I CA 0.635 61.948 61.300 0.021 0.000 1.419 37 I CB 1.163 39.161 38.000 -0.004 0.000 1.394 37 I HN 0.171 nan 8.210 nan 0.000 0.562 38 T N 1.728 116.282 114.554 -0.000 0.000 3.111 38 T HA 0.239 4.590 4.350 0.002 0.000 0.284 38 T C 0.015 174.704 174.700 -0.019 0.000 0.983 38 T CA -0.478 61.617 62.100 -0.008 0.000 0.900 38 T CB 0.111 68.978 68.868 -0.001 0.000 1.132 38 T HN 0.601 nan 8.240 nan 0.000 0.531 39 K N 1.632 122.014 120.400 -0.030 0.000 2.565 39 K HA 0.404 4.725 4.320 0.002 0.000 0.251 39 K C -0.840 175.719 176.600 -0.069 0.000 0.956 39 K CA -0.361 55.898 56.287 -0.045 0.000 0.809 39 K CB 1.738 34.213 32.500 -0.042 0.000 1.267 39 K HN 0.069 nan 8.250 nan 0.000 0.438 40 T N -0.088 114.422 114.554 -0.073 0.000 3.327 40 T HA 0.299 4.650 4.350 0.002 0.000 0.244 40 T C -0.408 174.235 174.700 -0.096 0.000 1.074 40 T CA -0.403 61.642 62.100 -0.093 0.000 1.156 40 T CB -0.288 68.534 68.868 -0.077 0.000 1.087 40 T HN 0.417 nan 8.240 nan 0.000 0.575 41 S N -0.199 115.438 115.700 -0.104 0.000 2.588 41 S HA 0.869 5.340 4.470 0.002 0.000 0.275 41 S C -0.924 173.595 174.600 -0.135 0.000 1.130 41 S CA -0.742 57.396 58.200 -0.102 0.000 0.855 41 S CB 2.143 65.291 63.200 -0.088 0.000 1.116 41 S HN 0.289 nan 8.310 nan 0.000 0.472 42 S N 0.878 116.490 115.700 -0.147 0.000 2.564 42 S HA 0.929 5.400 4.470 0.002 0.000 0.274 42 S C -1.151 173.281 174.600 -0.280 0.000 1.124 42 S CA -0.760 57.280 58.200 -0.266 0.000 0.869 42 S CB 1.820 64.840 63.200 -0.301 0.000 1.105 42 S HN 1.386 nan 8.310 nan 0.000 0.472 43 S N 1.079 116.541 115.700 -0.397 0.000 2.550 43 S HA 0.945 5.417 4.470 0.002 0.000 0.270 43 S C -1.149 173.262 174.600 -0.316 0.000 1.145 43 S CA -0.943 57.034 58.200 -0.371 0.000 0.852 43 S CB 1.366 64.399 63.200 -0.277 0.000 1.119 43 S HN 1.084 nan 8.310 nan 0.000 0.465 44 F N -1.566 118.244 119.950 -0.234 0.000 2.858 44 F HA 0.771 5.299 4.527 0.002 0.000 0.319 44 F C -1.452 174.342 175.800 -0.010 0.000 1.166 44 F CA -1.060 56.848 58.000 -0.153 0.000 0.899 44 F CB 0.638 39.555 39.000 -0.137 0.000 1.332 44 F HN 0.617 nan 8.300 nan 0.000 0.461 45 E N 0.864 121.230 120.200 0.277 0.000 2.227 45 E HA 0.685 5.036 4.350 0.002 0.000 0.268 45 E C -1.696 175.303 176.600 0.667 0.000 0.907 45 E CA -1.316 55.264 56.400 0.301 0.000 0.786 45 E CB 3.124 32.858 29.700 0.057 0.000 1.191 45 E HN 0.605 nan 8.360 nan 0.000 0.411 46 V N 2.442 122.765 119.914 0.682 0.000 2.925 46 V HA 0.607 4.728 4.120 0.002 0.000 0.311 46 V C -1.498 174.738 176.094 0.236 0.000 1.104 46 V CA -0.587 62.048 62.300 0.558 0.000 0.954 46 V CB 2.130 34.255 31.823 0.504 0.000 1.022 46 V HN 0.656 nan 8.190 nan 0.000 0.427 47 R N 2.709 123.080 120.500 -0.216 0.000 2.621 47 R HA 0.761 5.102 4.340 0.002 0.000 0.284 47 R C -1.339 174.736 176.300 -0.376 0.000 0.998 47 R CA -0.047 55.697 56.100 -0.594 0.000 0.895 47 R CB 2.210 31.574 30.300 -1.560 0.000 1.195 47 R HN 0.922 nan 8.270 nan 0.000 0.450 48 T N 1.572 115.906 114.554 -0.365 0.000 2.770 48 T HA 0.320 4.671 4.350 0.002 0.000 0.323 48 T C -1.413 173.079 174.700 -0.346 0.000 1.683 48 T CA -0.453 61.505 62.100 -0.236 0.000 1.024 48 T CB 0.701 69.538 68.868 -0.053 0.000 1.557 48 T HN 0.698 nan 8.240 nan 0.000 0.494 49 W N 0.694 121.987 121.300 -0.011 0.000 2.870 49 W HA 0.370 5.031 4.660 0.003 0.000 0.358 49 W C 0.275 176.798 176.519 0.007 0.000 1.043 49 W CA -0.467 56.876 57.345 -0.002 0.000 1.692 49 W CB 0.731 30.186 29.460 -0.008 0.000 1.100 49 W HN 0.513 nan 8.180 nan 0.000 0.557 50 D N 2.282 122.790 120.400 0.180 0.000 2.317 50 D HA 0.069 4.711 4.640 0.002 0.000 0.252 50 D C -1.110 175.241 176.300 0.085 0.000 1.174 50 D CA -1.839 52.234 54.000 0.121 0.000 0.866 50 D CB 1.782 42.639 40.800 0.094 0.000 1.127 50 D HN -0.048 nan 8.370 nan 0.000 0.467 51 P HA 0.007 nan 4.420 nan 0.000 0.236 51 P C -0.060 177.265 177.300 0.040 0.000 1.177 51 P CA 0.447 63.580 63.100 0.055 0.000 0.773 51 P CB 0.719 32.452 31.700 0.055 0.000 0.878 52 E N -0.589 119.636 120.200 0.042 0.000 2.331 52 E HA 0.554 4.905 4.350 0.002 0.000 0.275 52 E C -0.979 175.640 176.600 0.033 0.000 0.895 52 E CA -0.799 55.620 56.400 0.033 0.000 0.753 52 E CB 1.895 31.611 29.700 0.028 0.000 1.216 52 E HN 0.078 nan 8.360 nan 0.000 0.434 53 G N 0.702 109.519 108.800 0.028 0.000 2.352 53 G HA2 0.188 4.149 3.960 0.002 0.000 0.302 53 G HA3 0.188 4.149 3.960 0.002 0.000 0.302 53 G C -1.624 173.291 174.900 0.025 0.000 1.370 53 G CA -0.561 44.555 45.100 0.027 0.000 0.918 53 G HN 0.426 nan 8.290 nan 0.000 0.610 54 V N 1.182 121.109 119.914 0.021 0.000 2.439 54 V HA 0.409 4.531 4.120 0.002 0.000 0.282 54 V C 1.227 177.351 176.094 0.049 0.000 1.039 54 V CA -0.389 61.923 62.300 0.021 0.000 0.913 54 V CB 1.285 33.112 31.823 0.007 0.000 0.983 54 V HN 0.682 nan 8.190 nan 0.000 0.460 55 I N 3.821 124.429 120.570 0.064 0.000 2.364 55 I HA 0.168 4.340 4.170 0.002 0.000 0.241 55 I C 0.404 176.637 176.117 0.194 0.000 1.082 55 I CA 1.177 62.551 61.300 0.123 0.000 1.401 55 I CB 0.271 38.389 38.000 0.197 0.000 1.126 55 I HN 0.689 nan 8.210 nan 0.000 0.429 56 F N -0.828 119.180 119.950 0.097 0.000 2.654 56 F HA 0.550 5.078 4.527 0.002 0.000 0.308 56 F C -1.299 174.625 175.800 0.206 0.000 1.108 56 F CA -1.497 56.550 58.000 0.079 0.000 0.957 56 F CB 0.857 39.857 39.000 0.000 0.000 1.309 56 F HN -0.107 nan 8.300 nan 0.000 0.446 57 Y N 1.340 121.810 120.300 0.282 0.000 2.524 57 Y HA 0.874 5.426 4.550 0.003 0.000 0.344 57 Y C -0.679 175.442 175.900 0.369 0.000 1.012 57 Y CA -0.851 57.375 58.100 0.210 0.000 1.068 57 Y CB 2.394 40.834 38.460 -0.034 0.000 1.249 57 Y HN 1.098 nan 8.280 nan 0.000 0.468 58 G N 3.135 111.761 108.800 -0.289 0.000 2.706 58 G HA2 0.537 4.498 3.960 0.002 0.000 0.297 58 G HA3 0.537 4.498 3.960 0.002 0.000 0.297 58 G C -2.351 172.385 174.900 -0.273 0.000 1.403 58 G CA -0.720 44.326 45.100 -0.091 0.000 0.954 58 G HN 0.851 nan 8.290 nan 0.000 0.500 59 D N -1.711 118.694 120.400 0.009 0.000 2.639 59 D HA 0.525 5.167 4.640 0.002 0.000 0.271 59 D C 0.513 176.941 176.300 0.213 0.000 1.254 59 D CA 0.086 54.177 54.000 0.152 0.000 0.810 59 D CB 1.042 42.022 40.800 0.301 0.000 1.351 59 D HN 0.557 nan 8.370 nan 0.000 0.427 60 T N -2.895 111.810 114.554 0.253 0.000 2.975 60 T HA 0.291 4.642 4.350 0.002 0.000 0.261 60 T C 0.209 175.132 174.700 0.371 0.000 0.984 60 T CA -0.215 62.060 62.100 0.292 0.000 0.911 60 T CB -0.178 68.830 68.868 0.233 0.000 1.127 60 T HN 0.513 nan 8.240 nan 0.000 0.514 61 N N 1.258 120.147 118.700 0.315 0.000 2.697 61 N HA 0.220 4.962 4.740 0.002 0.000 0.271 61 N C -2.747 172.987 175.510 0.374 0.000 1.149 61 N CA -1.366 51.843 53.050 0.265 0.000 0.939 61 N CB 2.468 41.072 38.487 0.195 0.000 1.534 61 N HN -0.172 nan 8.380 nan 0.000 0.556 62 P HA -0.166 nan 4.420 nan 0.000 0.220 62 P C 0.840 178.378 177.300 0.397 0.000 1.144 62 P CA 1.254 64.639 63.100 0.474 0.000 0.800 62 P CB 0.768 32.679 31.700 0.352 0.000 0.772 63 K N -0.350 120.221 120.400 0.286 0.000 2.190 63 K HA -0.008 4.313 4.320 0.002 0.000 0.202 63 K C 1.193 178.003 176.600 0.351 0.000 1.045 63 K CA 0.863 57.275 56.287 0.209 0.000 0.976 63 K CB 0.116 32.677 32.500 0.102 0.000 0.849 63 K HN -0.161 nan 8.250 nan 0.000 0.468 64 D N 0.140 120.745 120.400 0.343 0.000 2.389 64 D HA 0.021 4.663 4.640 0.002 0.000 0.206 64 D C -0.554 175.950 176.300 0.340 0.000 1.055 64 D CA 0.490 54.700 54.000 0.350 0.000 0.856 64 D CB 0.738 41.657 40.800 0.198 0.000 0.957 64 D HN 0.163 nan 8.370 nan 0.000 0.509 65 D N 0.871 121.495 120.400 0.373 0.000 2.411 65 D HA 0.063 4.705 4.640 0.002 0.000 0.239 65 D C -1.123 175.385 176.300 0.347 0.000 1.307 65 D CA -0.722 53.434 54.000 0.260 0.000 0.930 65 D CB 0.191 41.115 40.800 0.207 0.000 1.395 65 D HN 0.032 nan 8.370 nan 0.000 0.536 66 W N 2.629 124.084 121.300 0.258 0.000 2.992 66 W HA 0.791 5.452 4.660 0.002 0.000 0.342 66 W C -1.817 174.808 176.519 0.177 0.000 1.176 66 W CA -1.438 56.003 57.345 0.159 0.000 1.118 66 W CB 0.888 30.524 29.460 0.293 0.000 1.457 66 W HN 0.151 nan 8.180 nan 0.000 0.573 67 F N 3.071 123.126 119.950 0.176 0.000 2.608 67 F HA 0.664 5.192 4.527 0.003 0.000 0.309 67 F C -1.348 174.496 175.800 0.073 0.000 1.103 67 F CA -1.140 56.903 58.000 0.073 0.000 0.954 67 F CB 2.303 41.306 39.000 0.004 0.000 1.267 67 F HN 0.408 nan 8.300 nan 0.000 0.444 68 M N 7.821 127.229 119.600 -0.320 0.000 2.378 68 M HA 0.556 5.038 4.480 0.002 0.000 0.289 68 M C -2.491 173.448 176.300 -0.602 0.000 1.136 68 M CA -0.975 54.195 55.300 -0.216 0.000 0.917 68 M CB 2.075 34.744 32.600 0.114 0.000 1.669 68 M HN 0.736 nan 8.290 nan 0.000 0.461 69 L N 4.931 125.837 121.223 -0.528 0.000 2.325 69 L HA 0.989 5.331 4.340 0.002 0.000 0.281 69 L C -0.707 176.050 176.870 -0.189 0.000 1.004 69 L CA 0.324 54.919 54.840 -0.408 0.000 0.823 69 L CB 1.669 43.461 42.059 -0.446 0.000 1.236 69 L HN 0.819 nan 8.230 nan 0.000 0.415 70 G N 4.432 113.179 108.800 -0.087 0.000 2.870 70 G HA2 0.573 4.534 3.960 0.002 0.000 0.299 70 G HA3 0.573 4.534 3.960 0.002 0.000 0.299 70 G C -1.864 173.042 174.900 0.011 0.000 1.324 70 G CA -0.839 44.252 45.100 -0.015 0.000 0.808 70 G HN 0.587 nan 8.290 nan 0.000 0.535 71 L N 0.185 121.422 121.223 0.023 0.000 2.346 71 L HA 0.744 5.086 4.340 0.002 0.000 0.274 71 L C -0.122 176.758 176.870 0.017 0.000 1.007 71 L CA -0.866 53.987 54.840 0.022 0.000 0.818 71 L CB 2.312 44.390 42.059 0.032 0.000 1.284 71 L HN 0.491 nan 8.230 nan 0.000 0.424 72 R N 2.448 122.955 120.500 0.012 0.000 2.533 72 R HA 0.197 4.538 4.340 0.002 0.000 0.288 72 R C -1.165 175.143 176.300 0.013 0.000 1.039 72 R CA -0.414 55.694 56.100 0.014 0.000 0.909 72 R CB 1.332 31.639 30.300 0.013 0.000 1.195 72 R HN 0.752 nan 8.270 nan 0.000 0.438 73 D N 3.159 123.570 120.400 0.018 0.000 2.772 73 D HA -0.192 4.449 4.640 0.002 0.000 0.233 73 D C 0.738 177.048 176.300 0.017 0.000 1.143 73 D CA 1.819 55.830 54.000 0.019 0.000 0.700 73 D CB -0.844 39.964 40.800 0.014 0.000 1.076 73 D HN 1.091 nan 8.370 nan 0.000 0.430 74 G N -0.466 108.345 108.800 0.019 0.000 2.245 74 G HA2 -0.391 3.571 3.960 0.002 0.000 0.264 74 G HA3 -0.391 3.571 3.960 0.002 0.000 0.264 74 G C 0.443 175.336 174.900 -0.012 0.000 0.985 74 G CA 0.827 45.933 45.100 0.010 0.000 0.625 74 G HN 0.534 nan 8.290 nan 0.000 0.536 75 R N 0.648 121.143 120.500 -0.009 0.000 2.668 75 R HA 0.525 4.866 4.340 0.002 0.000 0.279 75 R C -2.678 173.616 176.300 -0.010 0.000 0.976 75 R CA -2.171 53.917 56.100 -0.019 0.000 0.978 75 R CB 1.100 31.390 30.300 -0.016 0.000 1.133 75 R HN 0.035 nan 8.270 nan 0.000 0.484 76 P HA -0.065 nan 4.420 nan 0.000 0.267 76 P C -1.122 176.172 177.300 -0.010 0.000 1.200 76 P CA 0.323 63.425 63.100 0.003 0.000 0.772 76 P CB 0.546 32.252 31.700 0.009 0.000 0.855 77 E N 2.503 122.689 120.200 -0.023 0.000 2.290 77 E HA 0.475 4.826 4.350 0.002 0.000 0.274 77 E C -1.463 175.076 176.600 -0.102 0.000 0.889 77 E CA -0.536 55.838 56.400 -0.042 0.000 0.760 77 E CB 1.158 30.843 29.700 -0.025 0.000 1.206 77 E HN 0.271 nan 8.360 nan 0.000 0.419 78 I N 3.369 123.858 120.570 -0.135 0.000 2.433 78 I HA 0.293 4.464 4.170 0.002 0.000 0.292 78 I C -0.412 175.559 176.117 -0.243 0.000 1.001 78 I CA -0.678 60.445 61.300 -0.295 0.000 1.119 78 I CB 1.976 39.793 38.000 -0.306 0.000 1.289 78 I HN 0.469 nan 8.210 nan 0.000 0.438 79 Q N 6.302 125.930 119.800 -0.287 0.000 2.337 79 Q HA 0.721 5.063 4.340 0.002 0.000 0.266 79 Q C -1.317 174.472 176.000 -0.352 0.000 1.023 79 Q CA -0.739 54.977 55.803 -0.145 0.000 0.829 79 Q CB 3.500 32.341 28.738 0.171 0.000 1.306 79 Q HN 0.514 nan 8.270 nan 0.000 0.449 80 L N 1.678 122.666 121.223 -0.392 0.000 2.455 80 L HA 0.604 4.946 4.340 0.002 0.000 0.264 80 L C -1.937 174.606 176.870 -0.546 0.000 0.968 80 L CA -0.634 53.944 54.840 -0.436 0.000 0.827 80 L CB 2.151 44.134 42.059 -0.127 0.000 1.317 80 L HN 0.814 nan 8.230 nan 0.000 0.407 81 H N 3.793 122.330 119.070 -0.888 0.000 3.108 81 H HA 0.601 5.159 4.556 0.003 0.000 0.329 81 H C -1.301 173.802 175.328 -0.374 0.000 0.978 81 H CA -0.336 55.297 56.048 -0.692 0.000 1.413 81 H CB 1.015 30.180 29.762 -0.994 0.000 1.670 81 H HN 0.864 nan 8.280 nan 0.000 0.512 82 N N 1.205 119.639 118.700 -0.443 0.000 3.344 82 N HA 0.067 4.808 4.740 0.002 0.000 0.296 82 N C 0.360 175.741 175.510 -0.216 0.000 1.571 82 N CA -0.770 52.170 53.050 -0.184 0.000 0.844 82 N CB 0.338 38.839 38.487 0.023 0.000 1.718 82 N HN 0.464 nan 8.380 nan 0.000 0.589 83 H N -1.215 117.732 119.070 -0.205 0.000 2.422 83 H HA 0.045 4.603 4.556 0.002 0.000 0.298 83 H C 0.471 175.511 175.328 -0.480 0.000 1.098 83 H CA 2.109 57.936 56.048 -0.368 0.000 1.315 83 H CB 0.014 29.505 29.762 -0.451 0.000 1.382 83 H HN 0.613 nan 8.280 nan 0.000 0.523 84 W N -0.412 120.805 121.300 -0.139 0.000 2.704 84 W HA 0.513 5.174 4.660 0.001 0.000 0.266 84 W C 0.601 177.020 176.519 -0.165 0.000 1.266 84 W CA 0.697 57.939 57.345 -0.172 0.000 1.377 84 W CB 0.554 29.972 29.460 -0.070 0.000 1.082 84 W HN 0.246 nan 8.180 nan 0.000 0.608 85 A N 0.045 122.873 122.820 0.013 0.000 2.604 85 A HA 0.738 5.060 4.320 0.002 0.000 0.295 85 A C -1.547 175.948 177.584 -0.150 0.000 1.067 85 A CA -0.707 51.305 52.037 -0.041 0.000 0.683 85 A CB 1.264 20.276 19.000 0.020 0.000 1.281 85 A HN -0.027 nan 8.150 nan 0.000 0.407 86 Q N 0.160 119.883 119.800 -0.128 0.000 2.295 86 Q HA 0.637 4.979 4.340 0.002 0.000 0.259 86 Q C -1.074 174.888 176.000 -0.064 0.000 0.966 86 Q CA -0.293 55.431 55.803 -0.131 0.000 0.763 86 Q CB 2.140 30.820 28.738 -0.096 0.000 1.283 86 Q HN 0.949 nan 8.270 nan 0.000 0.445 87 L N -1.815 119.362 121.223 -0.076 0.000 2.479 87 L HA 0.985 5.326 4.340 0.002 0.000 0.255 87 L C -0.734 176.110 176.870 -0.044 0.000 1.026 87 L CA -0.649 54.164 54.840 -0.045 0.000 0.842 87 L CB 2.222 44.256 42.059 -0.042 0.000 1.444 87 L HN 0.269 nan 8.230 nan 0.000 0.409 88 T N 0.810 115.353 114.554 -0.018 0.000 2.985 88 T HA 0.726 5.078 4.350 0.002 0.000 0.315 88 T C -1.139 173.553 174.700 -0.014 0.000 1.001 88 T CA -0.409 61.687 62.100 -0.007 0.000 1.016 88 T CB 1.339 70.223 68.868 0.027 0.000 0.993 88 T HN 0.545 nan 8.240 nan 0.000 0.454 89 V N 2.306 122.202 119.914 -0.030 0.000 2.577 89 V HA 0.813 4.935 4.120 0.002 0.000 0.303 89 V C 0.521 176.601 176.094 -0.023 0.000 1.042 89 V CA -0.840 61.447 62.300 -0.022 0.000 0.872 89 V CB 2.135 33.945 31.823 -0.022 0.000 0.998 89 V HN 0.943 nan 8.190 nan 0.000 0.423 90 G N 2.553 111.346 108.800 -0.012 0.000 2.389 90 G HA2 0.865 4.826 3.960 0.002 0.000 0.328 90 G HA3 0.865 4.826 3.960 0.002 0.000 0.328 90 G C -0.524 174.371 174.900 -0.008 0.000 1.133 90 G CA 0.076 45.170 45.100 -0.010 0.000 0.891 90 G HN 1.338 nan 8.290 nan 0.000 0.485 91 A N 0.064 122.879 122.820 -0.008 0.000 2.586 91 A HA 1.005 5.327 4.320 0.002 0.000 0.291 91 A C 0.203 177.780 177.584 -0.012 0.000 1.062 91 A CA 0.443 52.476 52.037 -0.007 0.000 0.666 91 A CB 0.952 19.951 19.000 -0.002 0.000 1.281 91 A HN 2.738 nan 8.150 nan 0.000 0.421 92 G N -0.005 108.786 108.800 -0.015 0.000 2.795 92 G HA2 0.162 4.123 3.960 0.002 0.000 0.664 92 G HA3 0.162 4.123 3.960 0.002 0.000 0.664 92 G C -2.514 172.365 174.900 -0.036 0.000 1.381 92 G CA -0.180 44.905 45.100 -0.025 0.000 0.853 92 G HN 1.148 nan 8.290 nan 0.000 0.545 93 P HA 0.346 nan 4.420 nan 0.000 0.276 93 P C 0.026 177.272 177.300 -0.091 0.000 1.261 93 P CA -0.446 62.617 63.100 -0.062 0.000 0.800 93 P CB 0.677 32.338 31.700 -0.065 0.000 1.066 94 R N 0.471 120.926 120.500 -0.074 0.000 2.643 94 R HA 0.204 4.545 4.340 0.002 0.000 0.270 94 R C 0.930 177.128 176.300 -0.170 0.000 1.061 94 R CA -0.118 55.935 56.100 -0.077 0.000 1.107 94 R CB 0.145 30.427 30.300 -0.029 0.000 0.999 94 R HN 0.508 nan 8.270 nan 0.000 0.460 95 L N 1.585 122.698 121.223 -0.183 0.000 2.858 95 L HA 0.077 4.419 4.340 0.002 0.000 0.251 95 L C 0.340 177.141 176.870 -0.116 0.000 1.149 95 L CA -0.032 54.612 54.840 -0.326 0.000 0.955 95 L CB 0.166 42.061 42.059 -0.272 0.000 1.289 95 L HN 0.643 nan 8.230 nan 0.000 0.542 96 D N -0.610 119.746 120.400 -0.074 0.000 3.038 96 D HA -0.038 4.603 4.640 0.002 0.000 0.243 96 D C 0.336 176.556 176.300 -0.133 0.000 1.245 96 D CA -0.200 53.756 54.000 -0.072 0.000 0.871 96 D CB -0.103 40.713 40.800 0.028 0.000 1.089 96 D HN 0.281 nan 8.370 nan 0.000 0.464 97 D N -1.534 118.714 120.400 -0.253 0.000 2.424 97 D HA 0.180 4.821 4.640 0.002 0.000 0.220 97 D C 1.578 177.245 176.300 -1.056 0.000 1.150 97 D CA -0.281 53.498 54.000 -0.369 0.000 0.831 97 D CB -0.257 40.498 40.800 -0.074 0.000 0.981 97 D HN 0.247 nan 8.370 nan 0.000 0.500 98 G N 0.676 108.504 108.800 -1.620 0.000 2.186 98 G HA2 -0.361 3.600 3.960 0.002 0.000 0.266 98 G HA3 -0.361 3.600 3.960 0.002 0.000 0.266 98 G C 0.260 174.668 174.900 -0.820 0.000 0.982 98 G CA 0.253 44.263 45.100 -1.818 0.000 0.670 98 G HN 0.482 nan 8.290 nan 0.000 0.533 99 R N -1.518 118.625 120.500 -0.594 0.000 2.668 99 R HA 0.485 4.827 4.340 0.002 0.000 0.279 99 R C -0.309 175.633 176.300 -0.596 0.000 0.976 99 R CA -0.947 54.855 56.100 -0.496 0.000 0.978 99 R CB 0.952 31.018 30.300 -0.389 0.000 1.133 99 R HN 0.213 nan 8.270 nan 0.000 0.484 100 W N 2.340 123.422 121.300 -0.364 0.000 2.251 100 W HA 0.076 4.737 4.660 0.002 0.000 0.327 100 W C 0.466 176.718 176.519 -0.444 0.000 1.361 100 W CA 0.297 57.477 57.345 -0.274 0.000 1.234 100 W CB 0.510 29.880 29.460 -0.149 0.000 1.212 100 W HN 0.219 nan 8.180 nan 0.000 0.557 101 H N 2.804 122.028 119.070 0.256 0.000 2.589 101 H HA 0.159 4.717 4.556 0.002 0.000 0.351 101 H C -0.478 174.895 175.328 0.077 0.000 1.074 101 H CA -0.882 55.235 56.048 0.114 0.000 1.203 101 H CB 1.888 31.681 29.762 0.051 0.000 1.558 101 H HN 0.268 nan 8.280 nan 0.000 0.522 102 Q N 2.535 122.397 119.800 0.103 0.000 2.286 102 Q HA 0.339 4.680 4.340 0.002 0.000 0.257 102 Q C -1.004 174.910 176.000 -0.143 0.000 0.941 102 Q CA -0.506 55.267 55.803 -0.048 0.000 0.912 102 Q CB 1.162 29.863 28.738 -0.063 0.000 1.192 102 Q HN 0.393 nan 8.270 nan 0.000 0.410 103 V N 3.948 123.621 119.914 -0.402 0.000 2.638 103 V HA 0.423 4.545 4.120 0.002 0.000 0.306 103 V C -0.762 174.990 176.094 -0.570 0.000 1.052 103 V CA -0.723 61.275 62.300 -0.503 0.000 0.885 103 V CB 2.131 33.518 31.823 -0.727 0.000 0.999 103 V HN 0.758 nan 8.190 nan 0.000 0.424 104 E N 2.816 122.853 120.200 -0.271 0.000 2.234 104 E HA 0.703 5.055 4.350 0.002 0.000 0.266 104 E C -1.671 174.908 176.600 -0.034 0.000 0.877 104 E CA -0.669 55.623 56.400 -0.180 0.000 0.758 104 E CB 2.952 32.572 29.700 -0.134 0.000 1.170 104 E HN 0.416 nan 8.360 nan 0.000 0.415 105 V N 3.766 123.701 119.914 0.036 0.000 2.483 105 V HA 0.423 4.545 4.120 0.002 0.000 0.297 105 V C -0.338 175.781 176.094 0.041 0.000 1.027 105 V CA -0.691 61.689 62.300 0.134 0.000 0.855 105 V CB 1.451 33.503 31.823 0.381 0.000 0.995 105 V HN 0.660 nan 8.190 nan 0.000 0.424 106 K N 4.359 124.767 120.400 0.014 0.000 2.522 106 K HA 0.748 5.069 4.320 0.002 0.000 0.275 106 K C -1.482 175.098 176.600 -0.033 0.000 1.006 106 K CA -1.068 55.200 56.287 -0.031 0.000 0.890 106 K CB 2.338 34.813 32.500 -0.042 0.000 1.475 106 K HN 0.355 nan 8.250 nan 0.000 0.441 107 M N 1.446 121.015 119.600 -0.052 0.000 2.318 107 M HA 0.318 4.799 4.480 0.002 0.000 0.347 107 M C -0.789 175.485 176.300 -0.043 0.000 1.175 107 M CA -0.040 55.231 55.300 -0.049 0.000 1.075 107 M CB 1.196 33.758 32.600 -0.063 0.000 1.614 107 M HN 0.686 nan 8.290 nan 0.000 0.456 108 E N 1.417 121.594 120.200 -0.039 0.000 2.409 108 E HA 0.447 4.799 4.350 0.002 0.000 0.259 108 E C 0.238 176.811 176.600 -0.046 0.000 0.932 108 E CA 0.020 56.397 56.400 -0.039 0.000 0.809 108 E CB 1.669 31.351 29.700 -0.031 0.000 1.341 108 E HN 0.964 nan 8.360 nan 0.000 0.405 109 G N 4.523 113.291 108.800 -0.052 0.000 2.556 109 G HA2 -0.365 3.596 3.960 0.002 0.000 0.283 109 G HA3 -0.365 3.596 3.960 0.002 0.000 0.283 109 G C 0.383 175.233 174.900 -0.082 0.000 1.177 109 G CA 0.597 45.658 45.100 -0.065 0.000 0.978 109 G HN 0.658 nan 8.290 nan 0.000 0.554 110 D N 0.643 120.981 120.400 -0.102 0.000 2.336 110 D HA 0.423 5.064 4.640 0.002 0.000 0.228 110 D C 0.935 177.180 176.300 -0.091 0.000 1.120 110 D CA 0.781 54.700 54.000 -0.134 0.000 0.839 110 D CB 0.144 40.820 40.800 -0.206 0.000 0.932 110 D HN 0.464 nan 8.370 nan 0.000 0.509 111 S N -0.844 114.821 115.700 -0.058 0.000 2.664 111 S HA 0.626 5.097 4.470 0.002 0.000 0.304 111 S C -0.496 174.098 174.600 -0.009 0.000 1.099 111 S CA -0.846 57.337 58.200 -0.028 0.000 1.003 111 S CB 2.330 65.517 63.200 -0.023 0.000 1.092 111 S HN 0.014 nan 8.310 nan 0.000 0.525 112 V N 2.816 122.745 119.914 0.024 0.000 2.409 112 V HA 0.455 4.577 4.120 0.002 0.000 0.291 112 V C -0.716 175.415 176.094 0.062 0.000 1.020 112 V CA -0.561 61.771 62.300 0.053 0.000 0.848 112 V CB 0.994 32.899 31.823 0.137 0.000 0.990 112 V HN 0.636 nan 8.190 nan 0.000 0.430 113 L N 5.568 126.819 121.223 0.047 0.000 2.325 113 L HA 0.694 5.036 4.340 0.002 0.000 0.278 113 L C -0.783 176.125 176.870 0.063 0.000 1.023 113 L CA -0.820 54.044 54.840 0.041 0.000 0.811 113 L CB 1.793 43.859 42.059 0.011 0.000 1.249 113 L HN 0.440 nan 8.230 nan 0.000 0.431 114 L N 2.574 123.832 121.223 0.058 0.000 2.356 114 L HA 0.489 4.830 4.340 0.002 0.000 0.277 114 L C -0.549 176.334 176.870 0.021 0.000 0.996 114 L CA 0.053 54.931 54.840 0.064 0.000 0.822 114 L CB 1.786 43.896 42.059 0.085 0.000 1.256 114 L HN 0.690 nan 8.230 nan 0.000 0.413 115 E N 4.032 124.230 120.200 -0.002 0.000 2.199 115 E HA 0.661 5.013 4.350 0.002 0.000 0.269 115 E C -1.871 174.703 176.600 -0.044 0.000 0.899 115 E CA -0.758 55.626 56.400 -0.026 0.000 0.772 115 E CB 2.010 31.685 29.700 -0.042 0.000 1.155 115 E HN 0.517 nan 8.360 nan 0.000 0.408 116 V N 4.211 124.105 119.914 -0.033 0.000 2.531 116 V HA 0.171 4.292 4.120 0.002 0.000 0.301 116 V C -0.675 175.413 176.094 -0.009 0.000 1.034 116 V CA -0.735 61.545 62.300 -0.033 0.000 0.865 116 V CB 1.765 33.565 31.823 -0.039 0.000 0.995 116 V HN 0.921 nan 8.190 nan 0.000 0.424 117 D N 4.084 124.491 120.400 0.012 0.000 2.701 117 D HA -0.202 4.440 4.640 0.002 0.000 0.235 117 D C 1.342 177.642 176.300 0.001 0.000 1.155 117 D CA 1.800 55.819 54.000 0.032 0.000 0.649 117 D CB -1.024 39.828 40.800 0.088 0.000 1.050 117 D HN 1.477 nan 8.370 nan 0.000 0.425 118 G N -1.034 107.752 108.800 -0.022 0.000 2.184 118 G HA2 -0.327 3.634 3.960 0.002 0.000 0.264 118 G HA3 -0.327 3.634 3.960 0.002 0.000 0.264 118 G C -0.009 174.878 174.900 -0.021 0.000 0.975 118 G CA 0.512 45.596 45.100 -0.027 0.000 0.642 118 G HN 0.403 nan 8.290 nan 0.000 0.536 119 E N 0.513 120.703 120.200 -0.016 0.000 2.183 119 E HA 0.399 4.750 4.350 0.002 0.000 0.271 119 E C -0.028 176.563 176.600 -0.014 0.000 0.919 119 E CA -0.736 55.656 56.400 -0.013 0.000 0.781 119 E CB 1.628 31.324 29.700 -0.007 0.000 1.140 119 E HN 0.529 nan 8.360 nan 0.000 0.402 120 E N 1.933 122.125 120.200 -0.013 0.000 2.299 120 E HA 0.087 4.439 4.350 0.002 0.000 0.272 120 E C 0.638 177.234 176.600 -0.006 0.000 1.043 120 E CA -0.087 56.307 56.400 -0.009 0.000 0.895 120 E CB 0.548 30.243 29.700 -0.009 0.000 1.011 120 E HN 0.348 nan 8.360 nan 0.000 0.432 121 V N 2.667 122.580 119.914 -0.003 0.000 3.604 121 V HA 0.353 4.475 4.120 0.002 0.000 0.277 121 V C -0.200 175.896 176.094 0.003 0.000 1.399 121 V CA -0.324 61.975 62.300 -0.002 0.000 1.034 121 V CB 0.317 32.135 31.823 -0.007 0.000 0.824 121 V HN 0.444 nan 8.190 nan 0.000 0.439 122 L N 0.998 122.227 121.223 0.010 0.000 2.611 122 L HA 0.679 5.020 4.340 0.002 0.000 0.260 122 L C -1.014 175.870 176.870 0.023 0.000 0.924 122 L CA -0.640 54.209 54.840 0.016 0.000 0.901 122 L CB 2.157 44.229 42.059 0.022 0.000 1.369 122 L HN 0.306 nan 8.230 nan 0.000 0.415 123 R N 5.196 125.707 120.500 0.017 0.000 2.468 123 R HA 0.643 4.985 4.340 0.002 0.000 0.302 123 R C -1.824 174.487 176.300 0.018 0.000 1.041 123 R CA -0.557 55.554 56.100 0.018 0.000 0.899 123 R CB 0.941 31.244 30.300 0.005 0.000 1.167 123 R HN 0.745 nan 8.270 nan 0.000 0.483 124 L N 5.552 126.794 121.223 0.031 0.000 2.268 124 L HA 0.463 4.805 4.340 0.002 0.000 0.289 124 L C 0.424 177.303 176.870 0.014 0.000 1.064 124 L CA -0.454 54.402 54.840 0.027 0.000 0.824 124 L CB 0.863 42.952 42.059 0.051 0.000 1.202 124 L HN 0.474 nan 8.230 nan 0.000 0.433 125 R N 2.808 123.308 120.500 -0.000 0.000 2.500 125 R HA 0.295 4.636 4.340 0.002 0.000 0.275 125 R C -0.047 176.238 176.300 -0.025 0.000 1.051 125 R CA -0.629 55.461 56.100 -0.017 0.000 1.088 125 R CB 0.773 31.061 30.300 -0.020 0.000 1.063 125 R HN 0.542 nan 8.270 nan 0.000 0.511 126 Q N -0.460 119.306 119.800 -0.057 0.000 2.468 126 Q HA -0.146 4.195 4.340 0.002 0.000 0.289 126 Q C 0.629 176.598 176.000 -0.051 0.000 1.299 126 Q CA 0.645 56.395 55.803 -0.089 0.000 0.838 126 Q CB -1.579 27.126 28.738 -0.054 0.000 1.195 126 Q HN 0.646 nan 8.270 nan 0.000 0.456 127 V N -5.011 114.879 119.914 -0.041 0.000 3.643 127 V HA 0.466 4.588 4.120 0.002 0.000 0.280 127 V C 0.441 176.566 176.094 0.052 0.000 1.351 127 V CA 0.799 63.119 62.300 0.033 0.000 1.073 127 V CB 1.626 33.476 31.823 0.046 0.000 0.863 127 V HN 0.283 nan 8.190 nan 0.000 0.436 128 S N -0.959 114.690 115.700 -0.085 0.000 2.565 128 S HA 0.672 5.143 4.470 0.002 0.000 0.274 128 S C -0.042 174.431 174.600 -0.212 0.000 1.144 128 S CA 0.064 58.233 58.200 -0.052 0.000 0.849 128 S CB 1.189 64.410 63.200 0.035 0.000 1.103 128 S HN 0.925 nan 8.310 nan 0.000 0.455 129 G N 1.974 110.704 108.800 -0.117 0.000 2.580 129 G HA2 0.600 4.562 3.960 0.002 0.000 0.278 129 G HA3 0.600 4.562 3.960 0.002 0.000 0.278 129 G C -2.876 172.004 174.900 -0.033 0.000 1.212 129 G CA -1.473 43.563 45.100 -0.107 0.000 0.939 129 G HN 0.554 nan 8.290 nan 0.000 0.513 130 P HA 0.024 nan 4.420 nan 0.000 0.264 130 P C 1.165 178.467 177.300 0.003 0.000 1.183 130 P CA -0.125 62.963 63.100 -0.020 0.000 0.763 130 P CB 0.669 32.360 31.700 -0.016 0.000 0.807 131 L N 2.071 123.288 121.223 -0.010 0.000 2.042 131 L HA -0.184 4.158 4.340 0.002 0.000 0.210 131 L C 2.223 179.099 176.870 0.010 0.000 1.076 131 L CA 2.373 57.211 54.840 -0.003 0.000 0.749 131 L CB -1.327 40.713 42.059 -0.030 0.000 0.893 131 L HN 0.495 nan 8.230 nan 0.000 0.432 132 T N -4.824 109.732 114.554 0.003 0.000 3.139 132 T HA -0.063 4.288 4.350 0.002 0.000 0.267 132 T C 1.444 176.156 174.700 0.020 0.000 1.164 132 T CA 1.110 63.216 62.100 0.009 0.000 1.075 132 T CB -0.105 68.765 68.868 0.003 0.000 0.904 132 T HN 0.183 nan 8.240 nan 0.000 0.540 133 S N 0.038 115.755 115.700 0.029 0.000 2.559 133 S HA 0.222 4.694 4.470 0.002 0.000 0.226 133 S C 0.395 175.032 174.600 0.062 0.000 1.000 133 S CA -0.598 57.627 58.200 0.042 0.000 0.948 133 S CB 0.234 63.460 63.200 0.044 0.000 0.870 133 S HN 0.347 nan 8.310 nan 0.000 0.497 134 K N 2.408 122.848 120.400 0.067 0.000 2.489 134 K HA 0.143 4.465 4.320 0.002 0.000 0.278 134 K C 0.975 177.631 176.600 0.092 0.000 1.000 134 K CA 0.049 56.390 56.287 0.091 0.000 1.012 134 K CB 0.439 32.997 32.500 0.097 0.000 0.903 134 K HN 0.263 nan 8.250 nan 0.000 0.485 135 R N 0.901 121.460 120.500 0.099 0.000 2.112 135 R HA -0.179 4.163 4.340 0.002 0.000 0.242 135 R C 1.085 177.477 176.300 0.153 0.000 1.137 135 R CA 1.487 57.646 56.100 0.098 0.000 0.944 135 R CB -0.262 30.084 30.300 0.077 0.000 0.857 135 R HN 0.588 nan 8.270 nan 0.000 0.435 136 H N 2.457 121.561 119.070 0.057 0.000 2.820 136 H HA 0.103 4.660 4.556 0.002 0.000 0.278 136 H C -1.705 173.663 175.328 0.067 0.000 1.142 136 H CA -2.134 53.952 56.048 0.063 0.000 1.346 136 H CB 1.176 30.984 29.762 0.077 0.000 1.438 136 H HN 0.046 nan 8.280 nan 0.000 0.473 137 P HA 0.035 nan 4.420 nan 0.000 0.263 137 P C -0.237 176.973 177.300 -0.151 0.000 1.386 137 P CA 0.504 63.554 63.100 -0.084 0.000 0.797 137 P CB -0.088 31.587 31.700 -0.041 0.000 1.381 138 I N 0.457 120.835 120.570 -0.321 0.000 2.447 138 I HA 0.394 4.566 4.170 0.002 0.000 0.287 138 I C 0.040 176.141 176.117 -0.028 0.000 1.023 138 I CA -0.999 60.181 61.300 -0.200 0.000 1.083 138 I CB 2.276 40.091 38.000 -0.309 0.000 1.245 138 I HN -0.141 nan 8.210 nan 0.000 0.434 139 M N 6.601 126.256 119.600 0.092 0.000 2.364 139 M HA 0.538 5.019 4.480 0.002 0.000 0.334 139 M C -1.047 175.388 176.300 0.226 0.000 1.107 139 M CA -0.390 55.002 55.300 0.153 0.000 0.988 139 M CB 1.425 34.093 32.600 0.113 0.000 1.673 139 M HN 0.504 nan 8.290 nan 0.000 0.441 140 R N 4.857 125.482 120.500 0.207 0.000 2.532 140 R HA 0.696 5.038 4.340 0.002 0.000 0.295 140 R C -1.256 175.163 176.300 0.199 0.000 0.968 140 R CA -0.626 55.598 56.100 0.206 0.000 0.916 140 R CB 1.742 32.164 30.300 0.203 0.000 1.124 140 R HN 0.716 nan 8.270 nan 0.000 0.463 141 I N 1.932 122.599 120.570 0.161 0.000 2.439 141 I HA 0.356 4.528 4.170 0.002 0.000 0.285 141 I C -0.494 175.609 176.117 -0.023 0.000 1.021 141 I CA -0.632 60.699 61.300 0.050 0.000 1.091 141 I CB 2.005 39.927 38.000 -0.130 0.000 1.242 141 I HN 0.634 nan 8.210 nan 0.000 0.439 142 A N 7.867 130.743 122.820 0.093 0.000 2.304 142 A HA 0.820 5.141 4.320 0.002 0.000 0.323 142 A C -0.706 176.871 177.584 -0.012 0.000 1.195 142 A CA -0.500 51.550 52.037 0.022 0.000 0.826 142 A CB 0.861 19.895 19.000 0.056 0.000 1.184 142 A HN 0.687 nan 8.150 nan 0.000 0.496 143 L N 2.023 123.184 121.223 -0.103 0.000 2.295 143 L HA 0.568 4.909 4.340 0.002 0.000 0.285 143 L C 1.310 178.172 176.870 -0.013 0.000 1.035 143 L CA 0.198 54.989 54.840 -0.082 0.000 0.806 143 L CB 1.386 43.348 42.059 -0.163 0.000 1.214 143 L HN 1.199 nan 8.230 nan 0.000 0.426 144 G N 2.248 111.066 108.800 0.029 0.000 2.153 144 G HA2 -0.115 3.846 3.960 0.002 0.000 0.252 144 G HA3 -0.115 3.846 3.960 0.002 0.000 0.252 144 G C 0.287 175.185 174.900 -0.002 0.000 0.994 144 G CA 0.127 45.242 45.100 0.026 0.000 0.698 144 G HN 1.207 nan 8.290 nan 0.000 0.521 145 G N -1.685 107.103 108.800 -0.019 0.000 2.451 145 G HA2 0.641 4.602 3.960 0.002 0.000 0.292 145 G HA3 0.641 4.602 3.960 0.002 0.000 0.292 145 G C -0.744 174.058 174.900 -0.164 0.000 1.427 145 G CA -0.586 44.464 45.100 -0.083 0.000 0.792 145 G HN 0.760 nan 8.290 nan 0.000 0.498 146 L N -0.595 120.430 121.223 -0.331 0.000 2.365 146 L HA 0.579 4.921 4.340 0.002 0.000 0.267 146 L C 0.629 176.997 176.870 -0.837 0.000 1.033 146 L CA -0.932 53.441 54.840 -0.779 0.000 0.802 146 L CB 1.657 43.210 42.059 -0.843 0.000 1.267 146 L HN 0.372 nan 8.230 nan 0.000 0.457 147 L N 1.631 122.022 121.223 -1.386 0.000 2.872 147 L HA 0.359 4.701 4.340 0.002 0.000 0.245 147 L C -0.672 175.934 176.870 -0.439 0.000 1.211 147 L CA -0.012 54.402 54.840 -0.710 0.000 1.013 147 L CB -0.256 41.527 42.059 -0.460 0.000 1.326 147 L HN 0.468 nan 8.230 nan 0.000 0.525 148 F N -3.515 116.164 119.950 -0.452 0.000 2.713 148 F HA 0.675 5.203 4.527 0.002 0.000 0.311 148 F C -2.950 172.684 175.800 -0.276 0.000 1.141 148 F CA -2.596 55.218 58.000 -0.310 0.000 0.939 148 F CB 0.336 39.150 39.000 -0.310 0.000 1.325 148 F HN -0.286 nan 8.300 nan 0.000 0.453 149 P HA 0.154 nan 4.420 nan 0.000 0.267 149 P C 0.287 177.663 177.300 0.127 0.000 1.200 149 P CA 0.357 63.496 63.100 0.066 0.000 0.772 149 P CB 1.142 32.841 31.700 -0.001 0.000 0.855 150 A N 2.420 125.263 122.820 0.039 0.000 2.019 150 A HA -0.166 4.155 4.320 0.002 0.000 0.219 150 A C 2.044 179.649 177.584 0.033 0.000 1.164 150 A CA 1.931 53.992 52.037 0.039 0.000 0.644 150 A CB -1.486 17.515 19.000 0.002 0.000 0.805 150 A HN 0.612 nan 8.150 nan 0.000 0.449 151 S N 0.078 115.778 115.700 -0.000 0.000 2.469 151 S HA -0.106 4.366 4.470 0.002 0.000 0.238 151 S C 1.363 175.922 174.600 -0.068 0.000 0.998 151 S CA 1.110 59.295 58.200 -0.025 0.000 0.957 151 S CB -0.565 62.614 63.200 -0.035 0.000 0.764 151 S HN 0.650 nan 8.310 nan 0.000 0.514 152 N N 0.811 119.432 118.700 -0.132 0.000 2.412 152 N HA 0.251 4.993 4.740 0.002 0.000 0.184 152 N C 0.158 175.467 175.510 -0.334 0.000 1.101 152 N CA 0.029 52.865 53.050 -0.357 0.000 0.881 152 N CB 0.002 38.025 38.487 -0.774 0.000 0.969 152 N HN 0.444 nan 8.380 nan 0.000 0.459 153 L N 0.961 122.160 121.223 -0.039 0.000 2.473 153 L HA 0.068 4.410 4.340 0.002 0.000 0.268 153 L C 2.026 179.006 176.870 0.183 0.000 1.215 153 L CA -0.130 54.784 54.840 0.123 0.000 0.823 153 L CB 0.729 42.888 42.059 0.167 0.000 1.099 153 L HN -0.053 nan 8.230 nan 0.000 0.483 154 R N 0.620 121.346 120.500 0.378 0.000 2.091 154 R HA -0.074 4.268 4.340 0.002 0.000 0.238 154 R C -0.189 176.197 176.300 0.144 0.000 1.136 154 R CA 1.194 57.443 56.100 0.248 0.000 0.959 154 R CB -0.103 30.348 30.300 0.251 0.000 0.856 154 R HN 0.279 nan 8.270 nan 0.000 0.437 155 L N 1.062 122.371 121.223 0.144 0.000 2.415 155 L HA 0.419 4.760 4.340 0.002 0.000 0.268 155 L C -2.687 174.231 176.870 0.080 0.000 0.984 155 L CA -2.522 52.370 54.840 0.088 0.000 0.853 155 L CB 1.848 43.950 42.059 0.071 0.000 1.215 155 L HN -0.215 nan 8.230 nan 0.000 0.419 156 P HA 0.309 nan 4.420 nan 0.000 0.267 156 P C -1.368 175.954 177.300 0.036 0.000 1.200 156 P CA 0.042 63.168 63.100 0.045 0.000 0.772 156 P CB 0.670 32.385 31.700 0.026 0.000 0.855 157 L N 0.013 121.254 121.223 0.030 0.000 2.491 157 L HA 0.612 4.953 4.340 0.002 0.000 0.254 157 L C -1.009 175.868 176.870 0.012 0.000 1.048 157 L CA -1.108 53.745 54.840 0.022 0.000 0.855 157 L CB 0.358 42.431 42.059 0.024 0.000 1.466 157 L HN -0.043 nan 8.230 nan 0.000 0.409 158 V N 2.531 122.451 119.914 0.010 0.000 2.368 158 V HA 0.293 4.414 4.120 0.002 0.000 0.266 158 V C -1.158 174.937 176.094 0.002 0.000 1.045 158 V CA -0.738 61.564 62.300 0.004 0.000 0.899 158 V CB 0.824 32.651 31.823 0.006 0.000 1.006 158 V HN 0.862 nan 8.190 nan 0.000 0.470 159 P HA -0.143 nan 4.420 nan 0.000 0.217 159 P C 0.680 177.978 177.300 -0.003 0.000 1.148 159 P CA 0.957 64.048 63.100 -0.015 0.000 0.828 159 P CB 0.274 31.948 31.700 -0.043 0.000 0.783 160 A N 0.823 123.642 122.820 -0.001 0.000 2.553 160 A HA 0.127 4.449 4.320 0.002 0.000 0.258 160 A C 0.044 177.643 177.584 0.025 0.000 1.069 160 A CA 0.189 52.232 52.037 0.009 0.000 0.767 160 A CB -1.025 17.979 19.000 0.006 0.000 0.997 160 A HN 0.241 nan 8.150 nan 0.000 0.512 161 L N 3.236 124.481 121.223 0.036 0.000 2.318 161 L HA 0.402 4.743 4.340 0.002 0.000 0.277 161 L C -0.425 176.486 176.870 0.069 0.000 1.008 161 L CA -0.393 54.479 54.840 0.054 0.000 0.846 161 L CB 1.561 43.657 42.059 0.061 0.000 1.220 161 L HN 0.643 nan 8.230 nan 0.000 0.423 162 D N 3.941 124.385 120.400 0.074 0.000 2.470 162 D HA 0.538 5.179 4.640 0.002 0.000 0.226 162 D C 0.026 176.394 176.300 0.114 0.000 1.196 162 D CA 0.496 54.552 54.000 0.094 0.000 0.979 162 D CB 0.212 41.063 40.800 0.086 0.000 1.059 162 D HN 0.715 nan 8.370 nan 0.000 0.515 163 G N 0.915 109.792 108.800 0.128 0.000 2.663 163 G HA2 0.481 4.442 3.960 0.002 0.000 0.299 163 G HA3 0.481 4.442 3.960 0.002 0.000 0.299 163 G C -1.294 173.669 174.900 0.104 0.000 1.372 163 G CA -0.475 44.675 45.100 0.084 0.000 0.781 163 G HN 0.432 nan 8.290 nan 0.000 0.491 164 c N -0.690 117.924 118.600 0.024 0.000 2.561 164 c HA 0.828 5.399 4.570 0.002 0.000 0.319 164 c C -0.390 173.863 174.090 0.272 0.000 1.198 164 c CA -0.524 55.857 56.329 0.087 0.000 1.665 164 c CB 0.865 43.391 42.510 0.026 0.000 2.258 164 c HN 0.773 nan 8.230 nan 0.000 0.493 165 L N 3.887 125.292 121.223 0.302 0.000 2.365 165 L HA 0.876 5.218 4.340 0.002 0.000 0.273 165 L C -0.191 176.851 176.870 0.288 0.000 1.000 165 L CA 0.021 55.067 54.840 0.343 0.000 0.819 165 L CB 0.888 43.075 42.059 0.214 0.000 1.284 165 L HN 0.944 nan 8.230 nan 0.000 0.418 166 R N 2.645 123.281 120.500 0.226 0.000 2.733 166 R HA 0.622 4.963 4.340 0.002 0.000 0.272 166 R C -0.820 175.474 176.300 -0.011 0.000 1.029 166 R CA -0.938 55.174 56.100 0.020 0.000 0.888 166 R CB 0.967 31.128 30.300 -0.232 0.000 1.251 166 R HN 0.528 nan 8.270 nan 0.000 0.464 167 R N 0.481 120.945 120.500 -0.060 0.000 3.516 167 R HA -0.147 4.194 4.340 0.002 0.000 0.271 167 R C -1.035 175.241 176.300 -0.040 0.000 1.098 167 R CA 1.483 57.539 56.100 -0.073 0.000 0.732 167 R CB -1.649 28.568 30.300 -0.138 0.000 1.152 167 R HN 0.844 nan 8.270 nan 0.000 0.455 168 D N -0.165 120.239 120.400 0.006 0.000 2.210 168 D HA 0.285 4.927 4.640 0.002 0.000 0.249 168 D C -0.395 175.758 176.300 -0.245 0.000 1.078 168 D CA -0.379 53.564 54.000 -0.095 0.000 0.875 168 D CB 1.978 42.843 40.800 0.109 0.000 1.175 168 D HN 0.017 nan 8.370 nan 0.000 0.440 169 S N 1.936 117.319 115.700 -0.528 0.000 2.532 169 S HA 0.542 5.013 4.470 0.002 0.000 0.299 169 S C -1.932 172.256 174.600 -0.687 0.000 1.105 169 S CA -0.888 57.077 58.200 -0.392 0.000 1.018 169 S CB 0.441 63.502 63.200 -0.232 0.000 1.021 169 S HN 0.475 nan 8.310 nan 0.000 0.483 170 W N 6.347 127.655 121.300 0.013 0.000 2.393 170 W HA 0.600 5.261 4.660 0.002 0.000 0.315 170 W C 0.487 176.920 176.519 -0.143 0.000 1.009 170 W CA -0.720 56.580 57.345 -0.074 0.000 1.313 170 W CB 0.209 29.681 29.460 0.020 0.000 1.269 170 W HN 0.764 nan 8.180 nan 0.000 0.420 171 L N 1.119 122.277 121.223 -0.109 0.000 6.223 171 L HA -0.376 3.966 4.340 0.002 0.000 0.053 171 L C -0.147 176.713 176.870 -0.018 0.000 2.244 171 L CA 1.085 55.827 54.840 -0.163 0.000 1.647 171 L CB -0.742 41.047 42.059 -0.450 0.000 2.769 171 L HN 0.295 nan 8.230 nan 0.000 1.016 172 D N -0.407 120.032 120.400 0.064 0.000 2.502 172 D HA 0.268 4.910 4.640 0.002 0.000 0.249 172 D C 0.189 176.626 176.300 0.228 0.000 1.092 172 D CA -0.540 53.529 54.000 0.115 0.000 0.839 172 D CB 1.965 42.811 40.800 0.077 0.000 1.264 172 D HN 0.238 nan 8.370 nan 0.000 0.511 173 K N 1.141 121.642 120.400 0.168 0.000 2.209 173 K HA -0.133 4.188 4.320 0.002 0.000 0.204 173 K C 1.581 178.240 176.600 0.099 0.000 1.048 173 K CA 1.491 57.866 56.287 0.147 0.000 0.940 173 K CB 0.154 32.707 32.500 0.089 0.000 0.729 173 K HN 0.380 nan 8.250 nan 0.000 0.451 174 Q N -1.256 118.596 119.800 0.087 0.000 2.291 174 Q HA -0.029 4.312 4.340 0.002 0.000 0.205 174 Q C 1.539 177.581 176.000 0.071 0.000 0.970 174 Q CA 1.216 57.055 55.803 0.059 0.000 0.876 174 Q CB 0.056 28.821 28.738 0.045 0.000 0.935 174 Q HN 0.370 nan 8.270 nan 0.000 0.455 175 A N 0.743 123.644 122.820 0.136 0.000 2.238 175 A HA 0.006 4.327 4.320 0.002 0.000 0.210 175 A C 0.577 178.255 177.584 0.157 0.000 1.179 175 A CA -0.209 51.929 52.037 0.169 0.000 0.827 175 A CB 0.118 19.253 19.000 0.225 0.000 0.856 175 A HN 0.205 nan 8.150 nan 0.000 0.488 176 E N 0.420 120.645 120.200 0.040 0.000 2.299 176 E HA 0.240 4.591 4.350 0.002 0.000 0.272 176 E C 0.485 176.935 176.600 -0.250 0.000 1.043 176 E CA -0.194 55.977 56.400 -0.382 0.000 0.895 176 E CB 0.295 29.764 29.700 -0.385 0.000 1.011 176 E HN 0.494 nan 8.360 nan 0.000 0.432 177 I N 2.704 123.106 120.570 -0.280 0.000 2.400 177 I HA -0.086 4.085 4.170 0.002 0.000 0.248 177 I C 0.852 176.875 176.117 -0.155 0.000 1.109 177 I CA 0.466 61.673 61.300 -0.155 0.000 1.425 177 I CB -0.076 37.857 38.000 -0.111 0.000 1.094 177 I HN 0.479 nan 8.210 nan 0.000 0.425 178 S N -0.395 115.175 115.700 -0.216 0.000 2.615 178 S HA 0.794 5.265 4.470 0.002 0.000 0.268 178 S C -1.130 173.354 174.600 -0.193 0.000 1.146 178 S CA -0.566 57.538 58.200 -0.161 0.000 0.818 178 S CB 2.006 65.145 63.200 -0.102 0.000 1.111 178 S HN 0.193 nan 8.310 nan 0.000 0.465 179 A N 0.678 123.420 122.820 -0.130 0.000 2.488 179 A HA 0.894 5.215 4.320 0.002 0.000 0.298 179 A C -0.594 176.946 177.584 -0.074 0.000 1.044 179 A CA -0.621 51.346 52.037 -0.117 0.000 0.693 179 A CB 1.705 20.641 19.000 -0.106 0.000 1.272 179 A HN 1.105 nan 8.150 nan 0.000 0.402 180 S N -0.288 115.373 115.700 -0.065 0.000 2.599 180 S HA 0.928 5.400 4.470 0.002 0.000 0.287 180 S C -0.553 174.023 174.600 -0.040 0.000 1.105 180 S CA -0.065 58.108 58.200 -0.045 0.000 0.899 180 S CB 1.976 65.153 63.200 -0.039 0.000 1.100 180 S HN 2.000 nan 8.310 nan 0.000 0.482 181 A N 1.848 124.651 122.820 -0.028 0.000 2.456 181 A HA 0.704 5.025 4.320 0.002 0.000 0.288 181 A C -2.504 175.071 177.584 -0.016 0.000 1.042 181 A CA -1.216 50.808 52.037 -0.021 0.000 0.738 181 A CB 0.528 19.521 19.000 -0.012 0.000 1.266 181 A HN 0.571 nan 8.150 nan 0.000 0.407 182 P HA -0.048 nan 4.420 nan 0.000 0.211 182 P C 0.936 178.232 177.300 -0.008 0.000 1.179 182 P CA 1.679 64.770 63.100 -0.014 0.000 0.910 182 P CB 0.248 31.937 31.700 -0.018 0.000 0.785 183 T N -1.812 112.741 114.554 -0.003 0.000 2.919 183 T HA 0.428 4.780 4.350 0.002 0.000 0.282 183 T C -0.311 174.395 174.700 0.010 0.000 1.020 183 T CA -0.708 61.394 62.100 0.003 0.000 0.994 183 T CB 0.442 69.313 68.868 0.004 0.000 1.180 183 T HN 0.029 nan 8.240 nan 0.000 0.566 184 S N 2.064 117.774 115.700 0.016 0.000 2.531 184 S HA 0.329 4.800 4.470 0.002 0.000 0.279 184 S C 0.247 174.869 174.600 0.037 0.000 1.305 184 S CA -0.705 57.509 58.200 0.023 0.000 1.058 184 S CB -0.459 62.755 63.200 0.024 0.000 0.899 184 S HN 0.623 nan 8.310 nan 0.000 0.493 185 L N 3.971 125.219 121.223 0.041 0.000 2.698 185 L HA 0.094 4.435 4.340 0.002 0.000 0.272 185 L C 1.102 178.021 176.870 0.082 0.000 1.154 185 L CA 0.146 55.022 54.840 0.060 0.000 0.964 185 L CB -0.309 41.782 42.059 0.054 0.000 1.272 185 L HN 0.625 nan 8.230 nan 0.000 0.483 186 R N 2.529 123.102 120.500 0.121 0.000 2.316 186 R HA 0.132 4.473 4.340 0.002 0.000 0.314 186 R C 0.397 176.821 176.300 0.207 0.000 1.069 186 R CA -0.240 55.967 56.100 0.178 0.000 0.959 186 R CB 1.034 31.462 30.300 0.214 0.000 0.987 186 R HN 0.571 nan 8.270 nan 0.000 0.446 187 S N 2.021 117.799 115.700 0.130 0.000 2.584 187 S HA 0.117 4.589 4.470 0.002 0.000 0.270 187 S C 0.358 174.936 174.600 -0.037 0.000 1.346 187 S CA -0.619 57.610 58.200 0.047 0.000 1.018 187 S CB 0.500 63.731 63.200 0.051 0.000 0.899 187 S HN 0.601 nan 8.310 nan 0.000 0.542 188 c N 0.000 118.511 118.600 -0.148 0.000 2.653 188 c HA 0.000 4.571 4.570 0.002 0.000 0.325 188 c CA 0.000 56.195 56.329 -0.223 0.000 1.963 188 c CB 0.000 42.360 42.510 -0.251 0.000 2.134 188 c HN 0.000 nan 8.230 nan 0.000 0.568