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 2fyn_1_O DATA FIRST_RESID 9 DATA SEQUENCE GTRRDFLYYA TAGAGAVATG AAVWPLINQM NPSADVQALA SIFVDVSSVE DATA SEQUENCE PGVQLTVKFL GKPIFIRRRT EADIELGRSV QLGQLVDTNA RNANIDAGAE DATA SEQUENCE ATDQNRTLDE AGEWLVMWGV CTHLGcSPIG GVSGDFGGWF CPcHGSHYDS DATA SEQUENCE AGRIRKGPAP ENLPIPLAKF IDETTIQLG 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 9 G HA2 0.000 nan 3.960 nan 0.000 0.244 9 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 9 G C 0.000 174.868 174.900 -0.054 0.000 0.946 9 G CA 0.000 45.071 45.100 -0.049 0.000 0.502 10 T N -1.945 112.570 114.554 -0.064 0.000 2.843 10 T HA 0.593 4.943 4.350 0.000 0.000 0.302 10 T C 0.401 175.075 174.700 -0.043 0.000 1.232 10 T CA -0.472 61.591 62.100 -0.062 0.000 1.009 10 T CB 2.292 71.106 68.868 -0.090 0.000 1.254 10 T HN 0.935 nan 8.240 nan 0.000 0.504 11 R N 0.423 120.915 120.500 -0.013 0.000 2.362 11 R HA 0.261 4.601 4.340 0.000 0.000 0.227 11 R C 1.251 177.624 176.300 0.122 0.000 0.905 11 R CA -0.091 56.042 56.100 0.056 0.000 1.067 11 R CB -0.504 29.811 30.300 0.025 0.000 1.078 11 R HN 0.576 nan 8.270 nan 0.000 0.516 12 R N 1.173 121.669 120.500 -0.008 0.000 2.140 12 R HA 0.011 4.351 4.340 0.000 0.000 0.213 12 R C 1.227 177.366 176.300 -0.268 0.000 1.059 12 R CA 1.546 57.586 56.100 -0.099 0.000 1.000 12 R CB -0.497 29.692 30.300 -0.185 0.000 0.910 12 R HN 0.212 nan 8.270 nan 0.000 0.455 13 D N -0.948 119.309 120.400 -0.239 0.000 2.269 13 D HA -0.126 4.514 4.640 0.000 0.000 0.208 13 D C 1.390 177.526 176.300 -0.274 0.000 0.963 13 D CA 0.674 54.481 54.000 -0.323 0.000 0.864 13 D CB -0.040 40.585 40.800 -0.292 0.000 0.936 13 D HN 0.287 nan 8.370 nan 0.000 0.505 14 F N 0.301 120.133 119.950 -0.196 0.000 2.149 14 F HA 0.004 4.531 4.527 0.000 0.000 0.294 14 F C 1.794 177.632 175.800 0.062 0.000 1.095 14 F CA 0.645 58.586 58.000 -0.097 0.000 1.276 14 F CB -0.633 38.336 39.000 -0.052 0.000 1.023 14 F HN 0.006 nan 8.300 nan 0.000 0.480 15 L N 0.021 121.125 121.223 -0.199 0.000 2.042 15 L HA -0.240 4.100 4.340 0.000 0.000 0.210 15 L C 1.880 178.776 176.870 0.043 0.000 1.076 15 L CA 1.849 56.591 54.840 -0.163 0.000 0.749 15 L CB -1.397 40.754 42.059 0.153 0.000 0.893 15 L HN 0.231 nan 8.230 nan 0.000 0.432 16 Y N -1.817 118.441 120.300 -0.070 0.000 2.680 16 Y HA -0.146 4.404 4.550 0.000 0.000 0.303 16 Y C 1.403 177.451 175.900 0.246 0.000 1.166 16 Y CA 0.422 58.558 58.100 0.059 0.000 1.344 16 Y CB -0.610 37.906 38.460 0.093 0.000 1.002 16 Y HN 0.281 nan 8.280 nan 0.000 0.537 17 Y N -2.378 117.880 120.300 -0.069 0.000 2.664 17 Y HA 0.339 4.889 4.550 0.000 0.000 0.278 17 Y C 2.251 178.035 175.900 -0.194 0.000 1.130 17 Y CA -0.068 57.969 58.100 -0.106 0.000 1.260 17 Y CB -0.823 37.590 38.460 -0.078 0.000 1.369 17 Y HN -0.077 nan 8.280 nan 0.000 0.499 18 A N -0.630 122.048 122.820 -0.237 0.000 2.019 18 A HA -0.133 4.187 4.320 0.000 0.000 0.219 18 A C 2.156 179.655 177.584 -0.142 0.000 1.164 18 A CA 2.331 54.193 52.037 -0.292 0.000 0.644 18 A CB -0.919 17.699 19.000 -0.637 0.000 0.805 18 A HN 0.385 nan 8.150 nan 0.000 0.449 19 T N -0.341 114.144 114.554 -0.114 0.000 2.684 19 T HA 0.154 4.504 4.350 0.000 0.000 0.253 19 T C 2.306 176.962 174.700 -0.074 0.000 1.057 19 T CA 1.340 63.389 62.100 -0.084 0.000 1.162 19 T CB -0.523 68.287 68.868 -0.096 0.000 0.868 19 T HN 0.556 nan 8.240 nan 0.000 0.409 20 A N 1.119 123.896 122.820 -0.072 0.000 2.042 20 A HA -0.021 4.299 4.320 0.000 0.000 0.222 20 A C 2.382 179.910 177.584 -0.092 0.000 1.167 20 A CA 2.155 54.139 52.037 -0.088 0.000 0.649 20 A CB -1.320 17.611 19.000 -0.114 0.000 0.809 20 A HN 0.550 nan 8.150 nan 0.000 0.457 21 G N -0.740 108.008 108.800 -0.086 0.000 2.424 21 G HA2 0.066 4.026 3.960 0.000 0.000 0.214 21 G HA3 0.066 4.026 3.960 0.000 0.000 0.214 21 G C 1.759 176.630 174.900 -0.048 0.000 1.202 21 G CA 1.182 46.241 45.100 -0.070 0.000 0.793 21 G HN 0.838 nan 8.290 nan 0.000 0.534 22 A N 0.767 123.562 122.820 -0.042 0.000 2.019 22 A HA 0.164 4.484 4.320 0.000 0.000 0.219 22 A C 2.578 180.144 177.584 -0.029 0.000 1.164 22 A CA 2.051 54.071 52.037 -0.028 0.000 0.644 22 A CB -0.868 18.117 19.000 -0.025 0.000 0.805 22 A HN 0.515 nan 8.150 nan 0.000 0.449 23 G N -0.398 108.379 108.800 -0.040 0.000 2.434 23 G HA2 0.028 3.988 3.960 0.000 0.000 0.214 23 G HA3 0.028 3.988 3.960 0.000 0.000 0.214 23 G C 1.779 176.660 174.900 -0.031 0.000 1.202 23 G CA 1.283 46.361 45.100 -0.037 0.000 0.788 23 G HN 0.814 nan 8.290 nan 0.000 0.539 24 A N 0.011 122.808 122.820 -0.039 0.000 2.032 24 A HA 0.028 4.348 4.320 0.000 0.000 0.221 24 A C 2.559 180.131 177.584 -0.021 0.000 1.165 24 A CA 1.968 53.985 52.037 -0.033 0.000 0.645 24 A CB -0.511 18.461 19.000 -0.046 0.000 0.807 24 A HN 0.306 nan 8.150 nan 0.000 0.453 25 V N -0.467 119.436 119.914 -0.020 0.000 2.358 25 V HA -0.196 3.924 4.120 0.000 0.000 0.246 25 V C 2.985 179.079 176.094 0.001 0.000 1.047 25 V CA 1.780 64.074 62.300 -0.010 0.000 1.035 25 V CB -1.320 30.498 31.823 -0.009 0.000 0.658 25 V HN 0.617 nan 8.190 nan 0.000 0.452 26 A N 0.253 123.072 122.820 -0.001 0.000 1.841 26 A HA -0.222 4.098 4.320 0.000 0.000 0.214 26 A C 2.414 180.006 177.584 0.013 0.000 1.195 26 A CA 2.511 54.552 52.037 0.006 0.000 0.611 26 A CB -1.283 17.717 19.000 -0.001 0.000 0.835 26 A HN 0.463 nan 8.150 nan 0.000 0.443 27 T N 0.003 114.560 114.554 0.005 0.000 2.714 27 T HA -0.185 4.165 4.350 0.000 0.000 0.268 27 T C 1.846 176.562 174.700 0.027 0.000 1.036 27 T CA 1.818 63.923 62.100 0.009 0.000 1.148 27 T CB -0.736 68.131 68.868 -0.002 0.000 0.856 27 T HN 0.636 nan 8.240 nan 0.000 0.462 28 G N 0.902 109.719 108.800 0.028 0.000 2.404 28 G HA2 0.026 3.986 3.960 0.000 0.000 0.215 28 G HA3 0.026 3.986 3.960 0.000 0.000 0.215 28 G C 1.845 176.802 174.900 0.095 0.000 1.174 28 G CA 0.757 45.887 45.100 0.050 0.000 0.780 28 G HN 0.602 nan 8.290 nan 0.000 0.537 29 A N 0.862 123.728 122.820 0.077 0.000 2.076 29 A HA 0.258 4.578 4.320 0.000 0.000 0.220 29 A C 2.655 180.306 177.584 0.111 0.000 1.160 29 A CA 2.221 54.323 52.037 0.108 0.000 0.653 29 A CB -0.477 18.562 19.000 0.066 0.000 0.801 29 A HN 0.686 nan 8.150 nan 0.000 0.455 30 A N -0.749 122.114 122.820 0.073 0.000 1.843 30 A HA 0.121 4.441 4.320 0.000 0.000 0.213 30 A C 2.152 179.767 177.584 0.052 0.000 1.202 30 A CA 1.350 53.414 52.037 0.045 0.000 0.607 30 A CB -0.992 18.023 19.000 0.024 0.000 0.847 30 A HN 0.350 nan 8.150 nan 0.000 0.445 31 V N -0.576 119.380 119.914 0.071 0.000 2.324 31 V HA -0.315 3.805 4.120 0.000 0.000 0.250 31 V C 2.211 178.386 176.094 0.135 0.000 1.060 31 V CA 2.006 64.353 62.300 0.079 0.000 1.042 31 V CB -1.059 30.813 31.823 0.082 0.000 0.650 31 V HN 0.794 nan 8.190 nan 0.000 0.450 32 W N 2.588 123.879 121.300 -0.015 0.000 2.298 32 W HA -0.210 4.451 4.660 0.000 0.000 0.328 32 W C -0.227 176.283 176.519 -0.014 0.000 1.259 32 W CA 2.234 59.570 57.345 -0.015 0.000 1.251 32 W CB -1.548 27.904 29.460 -0.014 0.000 1.161 32 W HN 0.302 nan 8.180 nan 0.000 0.466 33 P HA -0.208 nan 4.420 nan 0.000 0.219 33 P C 1.807 178.889 177.300 -0.363 0.000 1.146 33 P CA 1.649 64.442 63.100 -0.511 0.000 0.808 33 P CB -0.482 31.081 31.700 -0.228 0.000 0.779 34 L N -1.414 119.679 121.223 -0.217 0.000 2.376 34 L HA -0.038 4.302 4.340 0.000 0.000 0.219 34 L C 2.553 179.321 176.870 -0.171 0.000 1.133 34 L CA 0.871 55.622 54.840 -0.148 0.000 0.816 34 L CB -0.367 41.648 42.059 -0.073 0.000 0.933 34 L HN -0.074 nan 8.230 nan 0.000 0.449 35 I N -1.098 119.325 120.570 -0.245 0.000 2.685 35 I HA -0.132 4.038 4.170 0.000 0.000 0.251 35 I C 2.061 177.945 176.117 -0.390 0.000 1.102 35 I CA 0.525 61.695 61.300 -0.217 0.000 1.442 35 I CB -0.233 37.730 38.000 -0.062 0.000 1.194 35 I HN 0.164 nan 8.210 nan 0.000 0.448 36 N N 1.403 119.593 118.700 -0.849 0.000 2.272 36 N HA -0.271 4.469 4.740 0.000 0.000 0.185 36 N C 1.942 177.199 175.510 -0.422 0.000 1.014 36 N CA 1.233 53.763 53.050 -0.867 0.000 0.870 36 N CB -0.153 37.405 38.487 -1.549 0.000 0.975 36 N HN 0.334 nan 8.380 nan 0.000 0.433 37 Q N -0.014 119.580 119.800 -0.344 0.000 2.364 37 Q HA -0.144 4.196 4.340 0.000 0.000 0.209 37 Q C 1.410 177.320 176.000 -0.150 0.000 0.977 37 Q CA 1.152 56.829 55.803 -0.209 0.000 0.885 37 Q CB -0.238 28.399 28.738 -0.168 0.000 0.941 37 Q HN 0.549 nan 8.270 nan 0.000 0.464 38 M N 0.603 120.113 119.600 -0.150 0.000 2.506 38 M HA 0.031 4.512 4.480 0.000 0.000 0.260 38 M C 0.332 176.582 176.300 -0.084 0.000 1.104 38 M CA -0.015 55.225 55.300 -0.100 0.000 1.112 38 M CB 0.135 32.684 32.600 -0.084 0.000 1.401 38 M HN 0.063 nan 8.290 nan 0.000 0.473 39 N N 1.179 119.822 118.700 -0.096 0.000 2.371 39 N HA 0.128 4.868 4.740 0.000 0.000 0.243 39 N C -2.356 173.121 175.510 -0.056 0.000 1.287 39 N CA -0.724 52.289 53.050 -0.061 0.000 0.911 39 N CB -0.360 38.101 38.487 -0.044 0.000 1.142 39 N HN -0.099 nan 8.380 nan 0.000 0.451 40 P HA -0.055 nan 4.420 nan 0.000 0.258 40 P C 0.320 177.597 177.300 -0.039 0.000 1.172 40 P CA 0.259 63.335 63.100 -0.041 0.000 0.762 40 P CB 0.284 31.962 31.700 -0.037 0.000 0.764 41 S N 3.391 119.067 115.700 -0.041 0.000 2.659 41 S HA 0.086 4.556 4.470 0.000 0.000 0.243 41 S C 1.369 175.952 174.600 -0.029 0.000 1.375 41 S CA 0.422 58.599 58.200 -0.038 0.000 0.991 41 S CB -0.496 62.683 63.200 -0.036 0.000 0.898 41 S HN 0.434 nan 8.310 nan 0.000 0.520 42 A N 0.348 123.153 122.820 -0.024 0.000 2.140 42 A HA 0.148 4.468 4.320 0.000 0.000 0.209 42 A C 1.681 179.257 177.584 -0.015 0.000 1.181 42 A CA 0.622 52.649 52.037 -0.017 0.000 0.824 42 A CB -0.426 18.566 19.000 -0.014 0.000 0.879 42 A HN 0.836 nan 8.150 nan 0.000 0.480 43 D N -0.626 119.764 120.400 -0.017 0.000 2.333 43 D HA 0.006 4.646 4.640 0.000 0.000 0.208 43 D C 1.457 177.746 176.300 -0.018 0.000 0.984 43 D CA 0.776 54.768 54.000 -0.014 0.000 0.873 43 D CB -0.097 40.695 40.800 -0.014 0.000 0.935 43 D HN 0.157 nan 8.370 nan 0.000 0.521 44 V N 0.452 120.351 119.914 -0.025 0.000 2.825 44 V HA -0.061 4.059 4.120 0.000 0.000 0.246 44 V C 2.210 178.282 176.094 -0.036 0.000 1.068 44 V CA 0.959 63.238 62.300 -0.034 0.000 1.088 44 V CB -0.067 31.732 31.823 -0.040 0.000 0.733 44 V HN 0.097 nan 8.190 nan 0.000 0.468 45 Q N -0.356 119.427 119.800 -0.027 0.000 2.472 45 Q HA 0.076 4.416 4.340 0.000 0.000 0.208 45 Q C 1.929 177.921 176.000 -0.014 0.000 0.958 45 Q CA 0.961 56.750 55.803 -0.023 0.000 0.932 45 Q CB 0.012 28.741 28.738 -0.016 0.000 1.007 45 Q HN 0.632 nan 8.270 nan 0.000 0.508 46 A N 0.368 123.182 122.820 -0.011 0.000 2.218 46 A HA 0.132 4.452 4.320 0.000 0.000 0.209 46 A C 0.758 178.344 177.584 0.004 0.000 1.168 46 A CA -0.157 51.880 52.037 -0.000 0.000 0.804 46 A CB 0.003 19.004 19.000 0.002 0.000 0.834 46 A HN 0.202 nan 8.150 nan 0.000 0.482 47 L N -0.127 121.090 121.223 -0.011 0.000 2.490 47 L HA 0.240 4.580 4.340 0.000 0.000 0.274 47 L C 1.197 178.074 176.870 0.011 0.000 1.201 47 L CA -0.056 54.777 54.840 -0.011 0.000 0.869 47 L CB 0.798 42.821 42.059 -0.061 0.000 1.123 47 L HN 0.351 nan 8.230 nan 0.000 0.484 48 A N 2.825 125.682 122.820 0.061 0.000 2.538 48 A HA 0.543 4.863 4.320 0.000 0.000 0.214 48 A C 0.373 178.083 177.584 0.210 0.000 2.355 48 A CA 0.621 52.721 52.037 0.105 0.000 1.493 48 A CB 0.486 19.546 19.000 0.100 0.000 1.143 48 A HN 0.629 nan 8.150 nan 0.000 0.452 49 S N -1.306 114.532 115.700 0.230 0.000 2.661 49 S HA 0.760 5.230 4.470 0.000 0.000 0.285 49 S C -0.676 174.034 174.600 0.184 0.000 1.138 49 S CA 0.008 58.347 58.200 0.231 0.000 0.855 49 S CB 1.236 64.455 63.200 0.032 0.000 1.136 49 S HN 1.413 nan 8.310 nan 0.000 0.484 50 I N -1.912 118.605 120.570 -0.088 0.000 3.279 50 I HA 0.817 4.987 4.170 0.000 0.000 0.315 50 I C -2.023 173.911 176.117 -0.304 0.000 1.187 50 I CA -1.352 59.946 61.300 -0.004 0.000 0.953 50 I CB 1.937 39.951 38.000 0.024 0.000 1.279 50 I HN 0.566 nan 8.210 nan 0.000 0.465 51 F N 2.079 121.944 119.950 -0.143 0.000 2.529 51 F HA 0.703 5.230 4.527 0.000 0.000 0.320 51 F C -0.358 175.342 175.800 -0.167 0.000 1.118 51 F CA -0.875 57.024 58.000 -0.169 0.000 0.915 51 F CB 2.178 41.104 39.000 -0.124 0.000 1.161 51 F HN 0.143 nan 8.300 nan 0.000 0.445 52 V N 1.476 121.327 119.914 -0.106 0.000 2.555 52 V HA 0.334 4.454 4.120 0.000 0.000 0.302 52 V C -0.889 175.128 176.094 -0.128 0.000 1.038 52 V CA -0.831 61.397 62.300 -0.120 0.000 0.887 52 V CB 1.968 33.676 31.823 -0.192 0.000 0.991 52 V HN 0.660 nan 8.190 nan 0.000 0.434 53 D N 2.813 123.167 120.400 -0.076 0.000 2.313 53 D HA 0.375 5.016 4.640 0.000 0.000 0.239 53 D C 0.419 176.677 176.300 -0.069 0.000 1.142 53 D CA -0.300 53.660 54.000 -0.068 0.000 0.847 53 D CB 1.650 42.435 40.800 -0.026 0.000 1.082 53 D HN 0.432 nan 8.370 nan 0.000 0.480 54 V N 1.406 121.256 119.914 -0.107 0.000 3.039 54 V HA 0.234 4.354 4.120 0.000 0.000 0.369 54 V C 1.276 177.408 176.094 0.063 0.000 1.344 54 V CA -0.250 62.021 62.300 -0.047 0.000 1.270 54 V CB -0.005 31.670 31.823 -0.246 0.000 1.284 54 V HN 0.384 nan 8.190 nan 0.000 0.518 55 S N 2.485 118.213 115.700 0.047 0.000 2.348 55 S HA -0.175 4.295 4.470 0.000 0.000 0.221 55 S C 2.125 176.786 174.600 0.102 0.000 1.033 55 S CA 2.135 60.378 58.200 0.073 0.000 1.010 55 S CB -0.297 62.929 63.200 0.044 0.000 0.891 55 S HN 0.973 nan 8.310 nan 0.000 0.442 56 S N 1.061 116.813 115.700 0.088 0.000 2.496 56 S HA 0.079 4.549 4.470 0.000 0.000 0.224 56 S C 0.659 175.326 174.600 0.111 0.000 0.996 56 S CA -0.144 58.107 58.200 0.085 0.000 0.927 56 S CB -0.619 62.617 63.200 0.059 0.000 0.774 56 S HN 0.189 nan 8.310 nan 0.000 0.524 57 V N 3.068 123.083 119.914 0.168 0.000 2.442 57 V HA 0.158 4.278 4.120 0.000 0.000 0.272 57 V C 0.512 176.698 176.094 0.154 0.000 0.989 57 V CA 0.103 62.522 62.300 0.199 0.000 1.123 57 V CB -0.950 31.100 31.823 0.378 0.000 1.008 57 V HN 0.359 nan 8.190 nan 0.000 0.469 58 E N 8.352 128.595 120.200 0.071 0.000 2.349 58 E HA 0.342 4.693 4.350 0.000 0.000 0.262 58 E C -2.282 174.298 176.600 -0.034 0.000 1.088 58 E CA -1.959 54.456 56.400 0.025 0.000 0.899 58 E CB 0.810 30.520 29.700 0.015 0.000 1.044 58 E HN 0.431 nan 8.360 nan 0.000 0.420 59 P HA 0.135 nan 4.420 nan 0.000 0.276 59 P C 0.128 177.375 177.300 -0.088 0.000 1.235 59 P CA 0.421 63.445 63.100 -0.127 0.000 0.772 59 P CB 0.910 32.531 31.700 -0.131 0.000 0.871 60 G N 1.194 109.936 108.800 -0.096 0.000 2.163 60 G HA2 -0.137 3.823 3.960 0.000 0.000 0.213 60 G HA3 -0.137 3.823 3.960 0.000 0.000 0.213 60 G C -0.323 174.540 174.900 -0.063 0.000 0.991 60 G CA -0.309 44.744 45.100 -0.078 0.000 0.653 60 G HN 0.541 nan 8.290 nan 0.000 0.518 61 V N 0.916 120.802 119.914 -0.046 0.000 2.555 61 V HA 0.688 4.809 4.120 0.000 0.000 0.302 61 V C 0.229 176.332 176.094 0.015 0.000 1.038 61 V CA -0.606 61.685 62.300 -0.015 0.000 0.887 61 V CB 1.875 33.703 31.823 0.009 0.000 0.991 61 V HN 0.429 nan 8.190 nan 0.000 0.434 62 Q N 2.812 122.623 119.800 0.017 0.000 2.309 62 Q HA 0.659 4.999 4.340 0.000 0.000 0.264 62 Q C -1.690 174.345 176.000 0.058 0.000 1.008 62 Q CA -0.792 55.042 55.803 0.052 0.000 0.853 62 Q CB 2.054 30.796 28.738 0.008 0.000 1.314 62 Q HN 0.634 nan 8.270 nan 0.000 0.448 63 L N 3.046 124.330 121.223 0.102 0.000 2.298 63 L HA 0.466 4.806 4.340 0.000 0.000 0.284 63 L C -1.114 175.830 176.870 0.124 0.000 1.013 63 L CA 0.069 54.968 54.840 0.098 0.000 0.824 63 L CB 1.910 44.033 42.059 0.108 0.000 1.221 63 L HN 0.611 nan 8.230 nan 0.000 0.418 64 T N 3.969 118.596 114.554 0.121 0.000 2.795 64 T HA 0.702 5.052 4.350 0.000 0.000 0.282 64 T C -0.515 174.268 174.700 0.139 0.000 0.980 64 T CA -0.463 61.758 62.100 0.201 0.000 1.012 64 T CB 1.571 70.570 68.868 0.219 0.000 0.936 64 T HN 0.310 nan 8.240 nan 0.000 0.457 65 V N 2.640 122.633 119.914 0.132 0.000 2.925 65 V HA 0.493 4.614 4.120 0.000 0.000 0.311 65 V C -0.199 175.958 176.094 0.106 0.000 1.104 65 V CA -1.121 61.229 62.300 0.084 0.000 0.954 65 V CB 2.465 34.301 31.823 0.022 0.000 1.022 65 V HN 0.775 nan 8.190 nan 0.000 0.427 66 K N 2.845 123.312 120.400 0.112 0.000 2.172 66 K HA 0.590 4.910 4.320 0.000 0.000 0.276 66 K C -1.827 174.907 176.600 0.223 0.000 1.013 66 K CA -0.292 56.082 56.287 0.145 0.000 0.913 66 K CB 1.001 33.565 32.500 0.107 0.000 1.055 66 K HN 0.495 nan 8.250 nan 0.000 0.461 67 F N 5.661 125.650 119.950 0.066 0.000 2.605 67 F HA 0.255 4.782 4.527 0.000 0.000 0.320 67 F C -0.268 175.646 175.800 0.190 0.000 1.159 67 F CA -0.851 57.190 58.000 0.068 0.000 0.999 67 F CB 0.672 39.639 39.000 -0.055 0.000 1.258 67 F HN 0.629 nan 8.300 nan 0.000 0.464 68 L N 6.137 127.128 121.223 -0.388 0.000 3.839 68 L HA -0.306 4.035 4.340 0.000 0.000 0.416 68 L C 1.203 178.000 176.870 -0.121 0.000 1.195 68 L CA 1.113 55.754 54.840 -0.332 0.000 0.946 68 L CB -1.838 39.941 42.059 -0.465 0.000 1.891 68 L HN 1.339 nan 8.230 nan 0.000 0.963 69 G N -1.019 107.761 108.800 -0.032 0.000 2.212 69 G HA2 -0.309 3.651 3.960 0.000 0.000 0.266 69 G HA3 -0.309 3.651 3.960 0.000 0.000 0.266 69 G C 0.312 175.220 174.900 0.015 0.000 0.978 69 G CA 0.990 46.084 45.100 -0.011 0.000 0.632 69 G HN 0.505 nan 8.290 nan 0.000 0.537 70 K N 1.150 121.592 120.400 0.070 0.000 2.281 70 K HA 0.608 4.928 4.320 0.000 0.000 0.242 70 K C -2.650 174.078 176.600 0.214 0.000 0.971 70 K CA -2.123 54.212 56.287 0.080 0.000 0.834 70 K CB 2.675 35.150 32.500 -0.043 0.000 1.181 70 K HN 0.049 nan 8.250 nan 0.000 0.435 71 P HA 0.260 nan 4.420 nan 0.000 0.276 71 P C -0.734 176.594 177.300 0.047 0.000 1.244 71 P CA -0.192 62.971 63.100 0.105 0.000 0.801 71 P CB 0.970 32.719 31.700 0.083 0.000 1.006 72 I N 2.062 122.636 120.570 0.006 0.000 2.468 72 I HA 0.259 4.429 4.170 0.000 0.000 0.285 72 I C -0.483 175.671 176.117 0.061 0.000 1.039 72 I CA -0.887 60.322 61.300 -0.150 0.000 1.074 72 I CB 1.170 38.979 38.000 -0.318 0.000 1.228 72 I HN 0.106 nan 8.210 nan 0.000 0.436 73 F N 6.988 126.883 119.950 -0.093 0.000 2.396 73 F HA 0.457 4.984 4.527 0.000 0.000 0.343 73 F C 0.398 176.187 175.800 -0.019 0.000 1.104 73 F CA -1.002 56.974 58.000 -0.039 0.000 1.161 73 F CB 0.735 39.679 39.000 -0.092 0.000 1.146 73 F HN 0.157 nan 8.300 nan 0.000 0.522 74 I N 4.192 124.906 120.570 0.241 0.000 2.493 74 I HA 0.304 4.474 4.170 0.000 0.000 0.279 74 I C -0.294 175.980 176.117 0.261 0.000 1.045 74 I CA -0.457 60.972 61.300 0.215 0.000 1.106 74 I CB 1.447 39.535 38.000 0.146 0.000 1.216 74 I HN 0.498 nan 8.210 nan 0.000 0.459 75 R N 5.868 126.536 120.500 0.279 0.000 2.514 75 R HA 0.517 4.858 4.340 0.000 0.000 0.301 75 R C -0.573 175.770 176.300 0.072 0.000 0.962 75 R CA -0.773 55.448 56.100 0.202 0.000 0.882 75 R CB 1.783 32.251 30.300 0.279 0.000 1.143 75 R HN 0.531 nan 8.270 nan 0.000 0.452 76 R N 4.283 124.708 120.500 -0.126 0.000 2.246 76 R HA 0.255 4.595 4.340 0.000 0.000 0.332 76 R C -0.494 175.632 176.300 -0.291 0.000 0.974 76 R CA -0.505 55.274 56.100 -0.536 0.000 0.837 76 R CB 0.680 30.553 30.300 -0.710 0.000 1.145 76 R HN 0.590 nan 8.270 nan 0.000 0.467 77 R N 1.437 121.789 120.500 -0.246 0.000 2.582 77 R HA 0.113 4.453 4.340 0.000 0.000 0.271 77 R C 0.544 176.760 176.300 -0.141 0.000 1.078 77 R CA -0.043 55.976 56.100 -0.135 0.000 1.127 77 R CB 0.983 31.245 30.300 -0.063 0.000 1.038 77 R HN 0.641 nan 8.270 nan 0.000 0.500 78 T N -1.785 112.710 114.554 -0.098 0.000 2.771 78 T HA 0.105 4.456 4.350 0.000 0.000 0.290 78 T C 1.058 175.720 174.700 -0.063 0.000 1.005 78 T CA -0.707 61.343 62.100 -0.082 0.000 0.944 78 T CB 0.837 69.664 68.868 -0.069 0.000 1.147 78 T HN 0.542 nan 8.240 nan 0.000 0.534 79 E N 0.160 120.330 120.200 -0.051 0.000 2.072 79 E HA -0.002 4.348 4.350 0.000 0.000 0.190 79 E C 2.536 179.119 176.600 -0.027 0.000 0.982 79 E CA 0.876 57.254 56.400 -0.037 0.000 0.803 79 E CB -0.447 29.234 29.700 -0.031 0.000 0.755 79 E HN 0.737 nan 8.360 nan 0.000 0.453 80 A N 1.721 124.523 122.820 -0.031 0.000 1.892 80 A HA -0.302 4.018 4.320 0.000 0.000 0.218 80 A C 1.676 179.249 177.584 -0.018 0.000 1.188 80 A CA 2.273 54.295 52.037 -0.026 0.000 0.631 80 A CB -0.693 18.287 19.000 -0.034 0.000 0.822 80 A HN 0.139 nan 8.150 nan 0.000 0.447 81 D N -0.305 120.079 120.400 -0.026 0.000 2.123 81 D HA -0.120 4.520 4.640 0.000 0.000 0.196 81 D C 1.740 178.049 176.300 0.015 0.000 0.992 81 D CA 1.574 55.567 54.000 -0.013 0.000 0.833 81 D CB -0.215 40.567 40.800 -0.030 0.000 0.954 81 D HN 0.574 nan 8.370 nan 0.000 0.455 82 I N -0.026 120.546 120.570 0.003 0.000 2.617 82 I HA -0.102 4.068 4.170 0.000 0.000 0.256 82 I C 2.131 178.260 176.117 0.021 0.000 1.167 82 I CA 0.431 61.740 61.300 0.016 0.000 1.469 82 I CB -0.138 37.861 38.000 -0.001 0.000 1.098 82 I HN -0.068 nan 8.210 nan 0.000 0.436 83 E N 1.935 122.141 120.200 0.010 0.000 2.013 83 E HA -0.231 4.119 4.350 0.000 0.000 0.202 83 E C 2.031 178.646 176.600 0.024 0.000 1.018 83 E CA 1.840 58.247 56.400 0.012 0.000 0.834 83 E CB -0.273 29.428 29.700 0.002 0.000 0.770 83 E HN 0.203 nan 8.360 nan 0.000 0.459 84 L N 0.255 121.495 121.223 0.029 0.000 2.129 84 L HA -0.085 4.256 4.340 0.000 0.000 0.212 84 L C 2.332 179.244 176.870 0.069 0.000 1.087 84 L CA 1.963 56.831 54.840 0.046 0.000 0.757 84 L CB -1.087 41.003 42.059 0.051 0.000 0.896 84 L HN 0.346 nan 8.230 nan 0.000 0.434 85 G N -0.728 108.115 108.800 0.073 0.000 2.422 85 G HA2 -0.215 3.745 3.960 0.000 0.000 0.218 85 G HA3 -0.215 3.745 3.960 0.000 0.000 0.218 85 G C 1.734 176.677 174.900 0.072 0.000 1.146 85 G CA 0.388 45.542 45.100 0.089 0.000 0.769 85 G HN 0.367 nan 8.290 nan 0.000 0.547 86 R N 0.699 121.232 120.500 0.054 0.000 2.275 86 R HA 0.051 4.391 4.340 0.000 0.000 0.199 86 R C 2.321 178.645 176.300 0.040 0.000 0.989 86 R CA 1.005 57.131 56.100 0.044 0.000 1.016 86 R CB 0.007 30.327 30.300 0.033 0.000 0.918 86 R HN 0.469 nan 8.270 nan 0.000 0.473 87 S N -0.303 115.422 115.700 0.042 0.000 2.605 87 S HA 0.124 4.594 4.470 0.000 0.000 0.217 87 S C 0.659 175.286 174.600 0.045 0.000 0.958 87 S CA -0.504 57.718 58.200 0.037 0.000 0.919 87 S CB 0.232 63.450 63.200 0.030 0.000 0.780 87 S HN -0.113 nan 8.310 nan 0.000 0.507 88 V N 1.898 121.846 119.914 0.058 0.000 2.617 88 V HA 0.377 4.497 4.120 0.000 0.000 0.298 88 V C -0.064 176.061 176.094 0.051 0.000 1.048 88 V CA -0.707 61.632 62.300 0.065 0.000 0.964 88 V CB 1.630 33.506 31.823 0.088 0.000 1.004 88 V HN 0.435 nan 8.190 nan 0.000 0.466 89 Q N 1.548 121.375 119.800 0.046 0.000 2.241 89 Q HA 0.319 4.659 4.340 0.000 0.000 0.254 89 Q C 0.863 176.884 176.000 0.035 0.000 0.917 89 Q CA -0.659 55.166 55.803 0.036 0.000 0.919 89 Q CB 1.806 30.562 28.738 0.030 0.000 1.237 89 Q HN 0.675 nan 8.270 nan 0.000 0.434 90 L N 2.465 123.707 121.223 0.031 0.000 2.211 90 L HA -0.197 4.143 4.340 0.000 0.000 0.216 90 L C 1.528 178.411 176.870 0.023 0.000 1.092 90 L CA 2.196 57.053 54.840 0.028 0.000 0.767 90 L CB -0.106 41.967 42.059 0.025 0.000 0.894 90 L HN 0.861 nan 8.230 nan 0.000 0.437 91 G N -2.441 106.372 108.800 0.022 0.000 3.088 91 G HA2 -0.007 3.953 3.960 0.000 0.000 0.217 91 G HA3 -0.007 3.953 3.960 0.000 0.000 0.217 91 G C 1.017 175.929 174.900 0.019 0.000 1.159 91 G CA -0.061 45.049 45.100 0.018 0.000 0.760 91 G HN 0.512 nan 8.290 nan 0.000 0.550 92 Q N -0.065 119.751 119.800 0.026 0.000 2.247 92 Q HA 0.328 4.668 4.340 0.000 0.000 0.204 92 Q C 0.109 176.125 176.000 0.026 0.000 0.872 92 Q CA -0.108 55.714 55.803 0.032 0.000 0.951 92 Q CB 0.826 29.592 28.738 0.047 0.000 1.099 92 Q HN 0.353 nan 8.270 nan 0.000 0.501 93 L N 0.261 121.493 121.223 0.015 0.000 2.343 93 L HA 0.216 4.557 4.340 0.000 0.000 0.275 93 L C 1.342 178.201 176.870 -0.017 0.000 1.056 93 L CA -0.469 54.370 54.840 -0.002 0.000 0.804 93 L CB 1.372 43.437 42.059 0.010 0.000 1.203 93 L HN -0.123 nan 8.230 nan 0.000 0.440 94 V N -0.721 119.166 119.914 -0.045 0.000 2.788 94 V HA -0.050 4.070 4.120 0.000 0.000 0.251 94 V C 0.160 176.234 176.094 -0.032 0.000 1.068 94 V CA 1.119 63.390 62.300 -0.048 0.000 1.090 94 V CB -0.422 31.352 31.823 -0.083 0.000 0.710 94 V HN 0.780 nan 8.190 nan 0.000 0.467 95 D N -1.298 119.086 120.400 -0.026 0.000 2.593 95 D HA 0.293 4.933 4.640 0.000 0.000 0.251 95 D C 0.763 177.067 176.300 0.007 0.000 1.140 95 D CA -0.121 53.875 54.000 -0.007 0.000 0.855 95 D CB 2.153 42.951 40.800 -0.003 0.000 1.267 95 D HN -0.079 nan 8.370 nan 0.000 0.532 96 T N 1.957 116.517 114.554 0.010 0.000 2.896 96 T HA 0.002 4.352 4.350 0.000 0.000 0.263 96 T C 1.012 175.726 174.700 0.023 0.000 1.050 96 T CA 0.155 62.265 62.100 0.017 0.000 1.140 96 T CB -0.165 68.712 68.868 0.014 0.000 0.877 96 T HN 0.356 nan 8.240 nan 0.000 0.457 97 N N 1.117 119.830 118.700 0.023 0.000 2.492 97 N HA 0.165 4.905 4.740 0.000 0.000 0.260 97 N C 1.108 176.640 175.510 0.037 0.000 1.215 97 N CA 0.205 53.272 53.050 0.028 0.000 0.923 97 N CB 1.211 39.713 38.487 0.024 0.000 1.092 97 N HN 0.220 nan 8.380 nan 0.000 0.448 98 A N 3.879 126.722 122.820 0.039 0.000 2.015 98 A HA -0.072 4.248 4.320 0.000 0.000 0.219 98 A C 0.724 178.340 177.584 0.053 0.000 1.163 98 A CA 0.646 52.711 52.037 0.047 0.000 0.646 98 A CB -0.032 18.994 19.000 0.044 0.000 0.806 98 A HN 0.785 nan 8.150 nan 0.000 0.448 99 R N -0.646 119.883 120.500 0.048 0.000 3.516 99 R HA -0.149 4.192 4.340 0.000 0.000 0.271 99 R C -0.617 175.721 176.300 0.064 0.000 1.098 99 R CA 0.829 56.961 56.100 0.054 0.000 0.732 99 R CB -2.748 27.588 30.300 0.060 0.000 1.152 99 R HN 0.651 nan 8.270 nan 0.000 0.455 100 N N -0.050 118.683 118.700 0.055 0.000 2.444 100 N HA 0.404 5.145 4.740 0.000 0.000 0.262 100 N C 0.707 176.247 175.510 0.050 0.000 0.974 100 N CA 0.535 53.617 53.050 0.054 0.000 0.933 100 N CB 1.506 40.021 38.487 0.046 0.000 1.137 100 N HN 0.205 nan 8.380 nan 0.000 0.498 101 A N 3.761 126.616 122.820 0.058 0.000 2.119 101 A HA -0.047 4.273 4.320 0.000 0.000 0.217 101 A C 1.573 179.179 177.584 0.037 0.000 1.153 101 A CA 0.728 52.798 52.037 0.055 0.000 0.692 101 A CB -0.052 18.996 19.000 0.080 0.000 0.799 101 A HN 0.679 nan 8.150 nan 0.000 0.458 102 N N 0.086 118.804 118.700 0.028 0.000 2.173 102 N HA 0.072 4.812 4.740 0.000 0.000 0.184 102 N C 0.850 176.374 175.510 0.022 0.000 1.025 102 N CA 0.735 53.796 53.050 0.019 0.000 0.852 102 N CB -0.124 38.372 38.487 0.016 0.000 0.998 102 N HN 0.467 nan 8.380 nan 0.000 0.427 103 I N 0.918 121.504 120.570 0.027 0.000 3.244 103 I HA 0.018 4.188 4.170 0.000 0.000 0.314 103 I C 0.670 176.802 176.117 0.025 0.000 1.043 103 I CA -0.942 60.374 61.300 0.026 0.000 1.099 103 I CB 0.385 38.403 38.000 0.029 0.000 1.449 103 I HN -0.012 nan 8.210 nan 0.000 0.625 104 D N 1.319 121.733 120.400 0.023 0.000 2.443 104 D HA 0.001 4.641 4.640 0.000 0.000 0.234 104 D C 0.784 177.098 176.300 0.023 0.000 1.172 104 D CA 0.400 54.412 54.000 0.021 0.000 0.878 104 D CB 1.062 41.873 40.800 0.018 0.000 1.204 104 D HN 0.577 nan 8.370 nan 0.000 0.453 105 A N 2.416 125.249 122.820 0.021 0.000 2.168 105 A HA 0.130 4.450 4.320 0.000 0.000 0.215 105 A C 1.769 179.365 177.584 0.020 0.000 1.152 105 A CA 1.203 53.253 52.037 0.021 0.000 0.716 105 A CB -0.414 18.597 19.000 0.018 0.000 0.794 105 A HN 0.610 nan 8.150 nan 0.000 0.465 106 G N -1.075 107.736 108.800 0.019 0.000 3.233 106 G HA2 0.450 4.410 3.960 0.000 0.000 0.234 106 G HA3 0.450 4.410 3.960 0.000 0.000 0.234 106 G C 0.668 175.580 174.900 0.020 0.000 1.137 106 G CA 0.537 45.648 45.100 0.018 0.000 0.763 106 G HN 0.689 nan 8.290 nan 0.000 0.549 107 A N 0.184 123.018 122.820 0.023 0.000 2.504 107 A HA 0.443 4.763 4.320 0.000 0.000 0.242 107 A C 0.152 177.752 177.584 0.027 0.000 1.100 107 A CA 0.326 52.379 52.037 0.025 0.000 0.786 107 A CB 0.318 19.336 19.000 0.029 0.000 1.050 107 A HN 0.363 nan 8.150 nan 0.000 0.512 108 E N -0.984 119.233 120.200 0.029 0.000 2.227 108 E HA 0.498 4.848 4.350 0.000 0.000 0.268 108 E C 0.306 176.928 176.600 0.037 0.000 0.907 108 E CA -0.268 56.150 56.400 0.030 0.000 0.786 108 E CB 1.741 31.457 29.700 0.026 0.000 1.191 108 E HN 0.740 nan 8.360 nan 0.000 0.411 109 A N 2.247 125.090 122.820 0.038 0.000 2.121 109 A HA -0.060 4.261 4.320 0.000 0.000 0.204 109 A C 0.867 178.482 177.584 0.052 0.000 1.365 109 A CA 0.621 52.687 52.037 0.047 0.000 1.070 109 A CB -1.563 17.463 19.000 0.045 0.000 0.756 109 A HN 0.564 nan 8.150 nan 0.000 0.521 110 T N -3.397 111.185 114.554 0.047 0.000 2.856 110 T HA 0.066 4.416 4.350 0.000 0.000 0.306 110 T C 0.901 175.636 174.700 0.058 0.000 1.062 110 T CA 0.239 62.367 62.100 0.048 0.000 1.083 110 T CB 0.888 69.780 68.868 0.040 0.000 0.984 110 T HN 0.406 nan 8.240 nan 0.000 0.542 111 D N 0.604 121.041 120.400 0.061 0.000 2.178 111 D HA -0.156 4.485 4.640 0.000 0.000 0.202 111 D C 1.827 178.166 176.300 0.065 0.000 0.974 111 D CA 1.250 55.292 54.000 0.071 0.000 0.841 111 D CB 0.002 40.844 40.800 0.069 0.000 0.953 111 D HN 0.774 nan 8.370 nan 0.000 0.478 112 Q N -0.148 119.683 119.800 0.052 0.000 2.291 112 Q HA -0.040 4.300 4.340 0.000 0.000 0.205 112 Q C 1.320 177.351 176.000 0.051 0.000 0.970 112 Q CA 0.723 56.555 55.803 0.048 0.000 0.876 112 Q CB -0.212 28.549 28.738 0.037 0.000 0.935 112 Q HN 0.406 nan 8.270 nan 0.000 0.455 113 N N 0.030 118.762 118.700 0.052 0.000 2.280 113 N HA 0.091 4.831 4.740 0.000 0.000 0.192 113 N C 0.664 176.210 175.510 0.060 0.000 1.109 113 N CA -0.134 52.947 53.050 0.051 0.000 0.855 113 N CB 0.453 38.967 38.487 0.045 0.000 0.974 113 N HN 0.064 nan 8.380 nan 0.000 0.482 114 R N 0.119 120.662 120.500 0.072 0.000 2.508 114 R HA 0.096 4.436 4.340 0.000 0.000 0.300 114 R C -0.205 176.152 176.300 0.096 0.000 0.970 114 R CA 0.177 56.326 56.100 0.082 0.000 1.102 114 R CB 0.929 31.284 30.300 0.092 0.000 1.246 114 R HN 0.101 nan 8.270 nan 0.000 0.539 115 T N -2.825 111.788 114.554 0.098 0.000 2.932 115 T HA 0.355 4.705 4.350 0.000 0.000 0.289 115 T C 1.030 175.808 174.700 0.130 0.000 1.039 115 T CA -0.833 61.343 62.100 0.127 0.000 1.024 115 T CB 2.116 71.055 68.868 0.118 0.000 1.090 115 T HN -0.118 nan 8.240 nan 0.000 0.496 116 L N 0.499 121.835 121.223 0.190 0.000 2.068 116 L HA 0.098 4.438 4.340 0.000 0.000 0.204 116 L C 1.495 178.440 176.870 0.125 0.000 1.076 116 L CA 1.047 55.994 54.840 0.179 0.000 0.753 116 L CB -0.215 42.025 42.059 0.302 0.000 0.910 116 L HN 0.841 nan 8.230 nan 0.000 0.439 117 D N -0.965 119.521 120.400 0.144 0.000 2.376 117 D HA -0.042 4.598 4.640 0.000 0.000 0.268 117 D C 0.634 176.965 176.300 0.051 0.000 1.252 117 D CA -0.079 53.958 54.000 0.062 0.000 1.041 117 D CB 0.460 41.317 40.800 0.096 0.000 1.109 117 D HN -0.005 nan 8.370 nan 0.000 0.552 118 E N -0.860 119.356 120.200 0.027 0.000 2.290 118 E HA 0.234 4.584 4.350 0.000 0.000 0.197 118 E C 1.629 178.243 176.600 0.023 0.000 0.948 118 E CA 0.890 57.303 56.400 0.022 0.000 0.895 118 E CB -0.427 29.278 29.700 0.008 0.000 0.865 118 E HN 0.495 nan 8.360 nan 0.000 0.486 119 A N 0.676 123.508 122.820 0.020 0.000 2.206 119 A HA 0.353 4.673 4.320 0.000 0.000 0.211 119 A C 1.787 179.376 177.584 0.008 0.000 1.158 119 A CA 0.815 52.858 52.037 0.010 0.000 0.761 119 A CB -0.813 18.187 19.000 0.000 0.000 0.801 119 A HN 0.307 nan 8.150 nan 0.000 0.473 120 G N 0.175 108.992 108.800 0.029 0.000 2.160 120 G HA2 -0.333 3.627 3.960 0.000 0.000 0.251 120 G HA3 -0.333 3.627 3.960 0.000 0.000 0.251 120 G C 0.483 175.382 174.900 -0.001 0.000 1.008 120 G CA 0.711 45.832 45.100 0.036 0.000 0.724 120 G HN 0.922 nan 8.290 nan 0.000 0.514 121 E N -1.494 118.665 120.200 -0.069 0.000 2.479 121 E HA 0.182 4.532 4.350 0.000 0.000 0.193 121 E C 0.302 176.620 176.600 -0.471 0.000 1.049 121 E CA -0.522 55.714 56.400 -0.272 0.000 0.870 121 E CB 0.152 29.620 29.700 -0.386 0.000 0.944 121 E HN 0.641 nan 8.360 nan 0.000 0.492 122 W N 1.846 123.201 121.300 0.091 0.000 2.453 122 W HA 0.341 5.001 4.660 0.000 0.000 0.298 122 W C -0.931 175.668 176.519 0.133 0.000 0.983 122 W CA -1.080 56.354 57.345 0.149 0.000 1.600 122 W CB 1.122 30.733 29.460 0.252 0.000 1.430 122 W HN -0.009 nan 8.180 nan 0.000 0.422 123 L N 4.406 125.805 121.223 0.294 0.000 2.261 123 L HA 0.549 4.889 4.340 0.000 0.000 0.289 123 L C -0.707 176.291 176.870 0.213 0.000 1.059 123 L CA -0.357 54.621 54.840 0.229 0.000 0.816 123 L CB 0.597 42.795 42.059 0.231 0.000 1.191 123 L HN 0.071 nan 8.230 nan 0.000 0.431 124 V N 7.786 127.782 119.914 0.137 0.000 2.334 124 V HA 0.577 4.697 4.120 0.000 0.000 0.281 124 V C 0.081 176.137 176.094 -0.063 0.000 1.016 124 V CA -0.271 62.048 62.300 0.032 0.000 0.832 124 V CB 1.109 32.915 31.823 -0.027 0.000 0.999 124 V HN 0.933 nan 8.190 nan 0.000 0.439 125 M N 2.650 122.187 119.600 -0.105 0.000 2.622 125 M HA 0.587 5.067 4.480 0.000 0.000 0.276 125 M C -1.649 174.496 176.300 -0.258 0.000 1.265 125 M CA -0.766 54.433 55.300 -0.168 0.000 0.850 125 M CB 1.933 34.458 32.600 -0.124 0.000 1.720 125 M HN 0.297 nan 8.290 nan 0.000 0.465 126 W N 1.300 122.448 121.300 -0.253 0.000 2.529 126 W HA 0.452 5.112 4.660 0.000 0.000 0.319 126 W C 1.067 177.200 176.519 -0.644 0.000 1.362 126 W CA -0.305 56.835 57.345 -0.341 0.000 1.348 126 W CB 0.756 30.084 29.460 -0.220 0.000 1.403 126 W HN 0.881 nan 8.180 nan 0.000 0.519 127 G N 3.289 111.543 108.800 -0.910 0.000 3.325 127 G HA2 0.207 4.167 3.960 0.000 0.000 0.242 127 G HA3 0.207 4.167 3.960 0.000 0.000 0.242 127 G C -0.426 174.026 174.900 -0.746 0.000 1.120 127 G CA -0.306 43.695 45.100 -1.832 0.000 1.778 127 G HN 0.303 nan 8.290 nan 0.000 0.610 128 V N 0.996 120.670 119.914 -0.400 0.000 2.266 128 V HA 0.131 4.251 4.120 0.000 0.000 0.271 128 V C 0.875 176.852 176.094 -0.194 0.000 1.032 128 V CA -1.615 60.541 62.300 -0.241 0.000 0.806 128 V CB 0.423 32.111 31.823 -0.225 0.000 1.052 128 V HN 0.443 nan 8.190 nan 0.000 0.449 129 C N 4.894 124.097 119.300 -0.161 0.000 2.275 129 C HA -0.032 4.428 4.460 0.000 0.000 0.391 129 C C 2.174 177.188 174.990 0.040 0.000 1.503 129 C CA 1.176 60.171 59.018 -0.038 0.000 1.502 129 C CB -0.116 27.662 27.740 0.062 0.000 2.529 129 C HN 1.031 nan 8.230 nan 0.000 0.588 130 T N 2.163 116.799 114.554 0.135 0.000 3.160 130 T HA -0.037 4.313 4.350 0.000 0.000 0.257 130 T C 1.381 176.159 174.700 0.131 0.000 1.147 130 T CA 1.470 63.625 62.100 0.092 0.000 1.064 130 T CB -0.493 68.437 68.868 0.104 0.000 0.949 130 T HN 0.962 nan 8.240 nan 0.000 0.526 131 H N 1.093 120.194 119.070 0.052 0.000 2.281 131 H HA 0.224 4.780 4.556 0.000 0.000 0.310 131 H C 1.196 176.518 175.328 -0.010 0.000 1.052 131 H CA 0.920 56.979 56.048 0.019 0.000 1.331 131 H CB 0.046 29.836 29.762 0.047 0.000 1.419 131 H HN 0.300 nan 8.280 nan 0.000 0.518 132 L N -0.611 120.498 121.223 -0.190 0.000 3.259 132 L HA 0.264 4.604 4.340 0.000 0.000 0.292 132 L C 1.090 177.898 176.870 -0.103 0.000 1.219 132 L CA 0.526 55.209 54.840 -0.262 0.000 1.035 132 L CB 1.765 43.562 42.059 -0.436 0.000 1.424 132 L HN 0.790 nan 8.230 nan 0.000 0.603 133 G N -0.624 108.144 108.800 -0.055 0.000 2.352 133 G HA2 -0.236 3.724 3.960 0.000 0.000 0.204 133 G HA3 -0.236 3.724 3.960 0.000 0.000 0.204 133 G C 0.502 175.370 174.900 -0.054 0.000 1.004 133 G CA -0.102 44.957 45.100 -0.068 0.000 0.648 133 G HN 0.218 nan 8.290 nan 0.000 0.491 134 c N 1.132 119.717 118.600 -0.024 0.000 2.837 134 c HA 0.519 5.089 4.570 0.000 0.000 0.381 134 c C 1.606 175.678 174.090 -0.030 0.000 1.298 134 c CA 0.967 57.282 56.329 -0.024 0.000 2.083 134 c CB 0.944 43.440 42.510 -0.024 0.000 2.664 134 c HN 0.774 nan 8.230 nan 0.000 0.736 135 S N 3.122 118.827 115.700 0.009 0.000 2.423 135 S HA 0.375 4.846 4.470 0.000 0.000 0.317 135 S C -2.150 172.547 174.600 0.162 0.000 1.065 135 S CA -1.017 57.221 58.200 0.062 0.000 1.111 135 S CB 0.233 63.513 63.200 0.134 0.000 0.968 135 S HN 0.646 nan 8.310 nan 0.000 0.474 136 P HA 0.150 nan 4.420 nan 0.000 0.268 136 P C -0.454 177.084 177.300 0.396 0.000 1.204 136 P CA -0.219 63.001 63.100 0.201 0.000 0.768 136 P CB 0.388 32.138 31.700 0.083 0.000 0.842 137 I N 2.515 123.260 120.570 0.293 0.000 2.483 137 I HA 0.081 4.252 4.170 0.000 0.000 0.291 137 I C 1.698 177.943 176.117 0.212 0.000 1.112 137 I CA 0.146 61.590 61.300 0.239 0.000 1.350 137 I CB 0.016 38.133 38.000 0.196 0.000 1.419 137 I HN 0.447 nan 8.210 nan 0.000 0.523 138 G N 3.920 112.771 108.800 0.085 0.000 2.735 138 G HA2 0.411 4.371 3.960 0.000 0.000 0.192 138 G HA3 0.411 4.371 3.960 0.000 0.000 0.192 138 G C 0.863 175.558 174.900 -0.342 0.000 1.547 138 G CA -0.035 44.791 45.100 -0.457 0.000 1.080 138 G HN 0.997 nan 8.290 nan 0.000 0.569 139 G N -2.364 106.197 108.800 -0.398 0.000 2.272 139 G HA2 0.106 4.066 3.960 0.000 0.000 0.280 139 G HA3 0.106 4.066 3.960 0.000 0.000 0.280 139 G C 0.376 175.136 174.900 -0.234 0.000 1.067 139 G CA 0.425 45.377 45.100 -0.247 0.000 0.902 139 G HN 1.806 nan 8.290 nan 0.000 0.500 140 V N -1.501 118.207 119.914 -0.343 0.000 5.881 140 V HA -0.199 3.921 4.120 0.000 0.000 0.227 140 V C 0.827 176.834 176.094 -0.146 0.000 0.683 140 V CA 1.642 63.795 62.300 -0.246 0.000 0.747 140 V CB -1.466 30.256 31.823 -0.168 0.000 0.784 140 V HN 1.264 nan 8.190 nan 0.000 0.430 141 S N 1.810 117.438 115.700 -0.121 0.000 2.536 141 S HA 0.922 5.392 4.470 0.000 0.000 0.298 141 S C 0.417 175.073 174.600 0.093 0.000 1.083 141 S CA 0.267 58.459 58.200 -0.014 0.000 0.995 141 S CB 2.040 65.266 63.200 0.044 0.000 1.058 141 S HN 2.254 nan 8.310 nan 0.000 0.488 142 G N 2.018 110.850 108.800 0.054 0.000 2.710 142 G HA2 -0.136 3.824 3.960 0.000 0.000 0.668 142 G HA3 -0.136 3.824 3.960 0.000 0.000 0.668 142 G C -0.538 174.523 174.900 0.268 0.000 1.320 142 G CA -0.487 44.747 45.100 0.223 0.000 0.860 142 G HN 0.628 nan 8.290 nan 0.000 0.538 143 D N -0.297 120.358 120.400 0.425 0.000 2.352 143 D HA 0.151 4.791 4.640 0.000 0.000 0.232 143 D C 1.071 177.153 176.300 -0.362 0.000 1.055 143 D CA 0.944 54.911 54.000 -0.055 0.000 0.891 143 D CB -0.085 40.527 40.800 -0.315 0.000 0.897 143 D HN 0.278 nan 8.370 nan 0.000 0.529 144 F N -0.753 119.272 119.950 0.125 0.000 2.815 144 F HA 0.293 4.820 4.527 0.000 0.000 0.323 144 F C 1.514 177.360 175.800 0.077 0.000 1.151 144 F CA -0.575 57.483 58.000 0.097 0.000 1.191 144 F CB 0.579 39.660 39.000 0.135 0.000 1.069 144 F HN -0.101 nan 8.300 nan 0.000 0.514 145 G N 0.749 109.634 108.800 0.142 0.000 2.225 145 G HA2 -0.117 3.843 3.960 0.000 0.000 0.267 145 G HA3 -0.117 3.843 3.960 0.000 0.000 0.267 145 G C 0.693 175.600 174.900 0.012 0.000 1.024 145 G CA 0.325 45.451 45.100 0.044 0.000 0.784 145 G HN 0.802 nan 8.290 nan 0.000 0.507 146 G N -1.593 107.257 108.800 0.082 0.000 3.244 146 G HA2 0.575 4.535 3.960 0.000 0.000 0.197 146 G HA3 0.575 4.535 3.960 0.000 0.000 0.197 146 G C -0.290 174.483 174.900 -0.211 0.000 1.531 146 G CA -0.317 44.775 45.100 -0.013 0.000 0.747 146 G HN 0.292 nan 8.290 nan 0.000 0.763 147 W N -0.495 120.971 121.300 0.276 0.000 2.706 147 W HA 0.671 5.331 4.660 0.000 0.000 0.346 147 W C -1.589 175.145 176.519 0.359 0.000 1.071 147 W CA -0.704 56.788 57.345 0.245 0.000 1.206 147 W CB 2.109 31.663 29.460 0.158 0.000 1.413 147 W HN 0.184 nan 8.180 nan 0.000 0.542 148 F N 2.878 123.006 119.950 0.296 0.000 2.496 148 F HA 0.369 4.896 4.527 0.000 0.000 0.341 148 F C -0.523 175.361 175.800 0.139 0.000 1.134 148 F CA -1.322 56.746 58.000 0.115 0.000 0.968 148 F CB 0.487 39.471 39.000 -0.027 0.000 1.205 148 F HN 0.179 nan 8.300 nan 0.000 0.436 149 C N 10.253 129.272 119.300 -0.468 0.000 2.442 149 C HA 0.376 4.836 4.460 0.000 0.000 0.362 149 C C -0.949 173.507 174.990 -0.890 0.000 1.242 149 C CA -1.508 57.270 59.018 -0.401 0.000 1.741 149 C CB -0.007 27.685 27.740 -0.081 0.000 2.378 149 C HN 0.754 nan 8.230 nan 0.000 0.549 150 P HA 0.022 nan 4.420 nan 0.000 0.237 150 P C 1.380 178.529 177.300 -0.252 0.000 1.178 150 P CA 0.864 63.729 63.100 -0.392 0.000 0.766 150 P CB -0.091 31.565 31.700 -0.073 0.000 0.876 151 c N -0.690 117.744 118.600 -0.276 0.000 2.489 151 c HA -0.044 4.526 4.570 0.000 0.000 0.279 151 c C 1.940 175.650 174.090 -0.634 0.000 1.266 151 c CA 1.173 57.256 56.329 -0.409 0.000 1.707 151 c CB -1.887 40.413 42.510 -0.351 0.000 2.059 151 c HN 0.401 nan 8.230 nan 0.000 0.481 152 H N -1.788 117.293 119.070 0.019 0.000 3.052 152 H HA 0.360 4.916 4.556 0.000 0.000 0.257 152 H C 1.159 176.507 175.328 0.033 0.000 1.193 152 H CA 0.642 56.730 56.048 0.067 0.000 1.072 152 H CB 0.131 30.000 29.762 0.179 0.000 1.685 152 H HN 0.412 nan 8.280 nan 0.000 0.630 153 G N 0.894 109.706 108.800 0.019 0.000 2.165 153 G HA2 -0.281 3.680 3.960 0.000 0.000 0.226 153 G HA3 -0.281 3.680 3.960 0.000 0.000 0.226 153 G C -0.121 174.872 174.900 0.155 0.000 1.035 153 G CA 0.134 45.314 45.100 0.132 0.000 0.744 153 G HN 0.294 nan 8.290 nan 0.000 0.501 154 S N 0.709 116.405 115.700 -0.006 0.000 2.537 154 S HA 0.552 5.022 4.470 0.000 0.000 0.275 154 S C 0.166 174.835 174.600 0.116 0.000 1.272 154 S CA -0.428 57.819 58.200 0.078 0.000 1.050 154 S CB 0.570 63.831 63.200 0.102 0.000 0.961 154 S HN 0.423 nan 8.310 nan 0.000 0.496 155 H N 1.729 120.834 119.070 0.059 0.000 2.492 155 H HA 0.404 4.960 4.556 0.000 0.000 0.345 155 H C -1.217 174.022 175.328 -0.148 0.000 1.136 155 H CA -0.327 55.838 56.048 0.195 0.000 1.202 155 H CB 1.200 31.107 29.762 0.242 0.000 1.524 155 H HN 0.510 nan 8.280 nan 0.000 0.506 156 Y N 0.881 121.354 120.300 0.288 0.000 2.524 156 Y HA 0.105 4.655 4.550 0.000 0.000 0.344 156 Y C 0.382 176.485 175.900 0.338 0.000 1.012 156 Y CA -1.004 57.242 58.100 0.244 0.000 1.068 156 Y CB 1.311 39.975 38.460 0.339 0.000 1.249 156 Y HN 0.672 nan 8.280 nan 0.000 0.468 157 D N -1.404 119.244 120.400 0.413 0.000 2.437 157 D HA 0.138 4.778 4.640 0.000 0.000 0.259 157 D C 0.803 177.361 176.300 0.431 0.000 1.118 157 D CA -0.495 53.742 54.000 0.394 0.000 1.017 157 D CB 0.783 41.757 40.800 0.290 0.000 1.120 157 D HN 0.446 nan 8.370 nan 0.000 0.541 158 S N -1.457 114.416 115.700 0.290 0.000 2.571 158 S HA -0.055 4.415 4.470 0.000 0.000 0.245 158 S C 1.392 176.199 174.600 0.345 0.000 0.976 158 S CA 0.605 58.951 58.200 0.244 0.000 0.954 158 S CB -0.572 62.700 63.200 0.121 0.000 0.756 158 S HN 0.678 nan 8.310 nan 0.000 0.535 159 A N 0.163 123.185 122.820 0.338 0.000 2.431 159 A HA 0.672 4.992 4.320 0.000 0.000 0.239 159 A C 1.463 179.216 177.584 0.281 0.000 1.230 159 A CA 0.181 52.381 52.037 0.271 0.000 0.928 159 A CB -0.385 18.724 19.000 0.183 0.000 1.006 159 A HN 1.387 nan 8.150 nan 0.000 0.520 160 G N 0.040 109.086 108.800 0.409 0.000 2.147 160 G HA2 -0.248 3.712 3.960 0.000 0.000 0.244 160 G HA3 -0.248 3.712 3.960 0.000 0.000 0.244 160 G C 0.123 175.235 174.900 0.353 0.000 1.005 160 G CA 0.286 45.573 45.100 0.312 0.000 0.713 160 G HN 0.625 nan 8.290 nan 0.000 0.515 161 R N -0.751 119.922 120.500 0.287 0.000 2.404 161 R HA 0.617 4.957 4.340 0.000 0.000 0.291 161 R C 0.373 176.676 176.300 0.005 0.000 1.025 161 R CA -0.990 55.205 56.100 0.158 0.000 0.991 161 R CB 1.255 31.609 30.300 0.090 0.000 1.053 161 R HN 0.243 nan 8.270 nan 0.000 0.479 162 I N 2.085 122.558 120.570 -0.161 0.000 2.556 162 I HA 0.028 4.199 4.170 0.000 0.000 0.284 162 I C 0.343 176.236 176.117 -0.374 0.000 1.114 162 I CA 0.465 61.469 61.300 -0.494 0.000 1.418 162 I CB 0.463 38.215 38.000 -0.413 0.000 1.394 162 I HN 0.567 nan 8.210 nan 0.000 0.552 163 R N 6.152 126.335 120.500 -0.529 0.000 2.538 163 R HA 0.318 4.658 4.340 0.000 0.000 0.372 163 R C -0.469 175.523 176.300 -0.513 0.000 0.950 163 R CA -0.243 55.496 56.100 -0.603 0.000 1.168 163 R CB 0.134 29.692 30.300 -1.236 0.000 1.542 163 R HN 0.659 nan 8.270 nan 0.000 0.536 164 K N -0.473 119.723 120.400 -0.340 0.000 2.740 164 K HA 0.353 4.674 4.320 0.000 0.000 0.279 164 K C -1.094 175.478 176.600 -0.046 0.000 1.038 164 K CA 0.314 56.518 56.287 -0.138 0.000 0.887 164 K CB 1.332 33.778 32.500 -0.091 0.000 1.411 164 K HN 0.165 nan 8.250 nan 0.000 0.381 165 G N 2.707 111.501 108.800 -0.010 0.000 2.592 165 G HA2 -0.122 3.838 3.960 0.000 0.000 0.684 165 G HA3 -0.122 3.838 3.960 0.000 0.000 0.684 165 G C -2.355 172.473 174.900 -0.119 0.000 1.291 165 G CA -0.424 44.668 45.100 -0.014 0.000 0.891 165 G HN 0.430 nan 8.290 nan 0.000 0.544 166 P HA 0.261 nan 4.420 nan 0.000 0.218 166 P C 1.313 178.414 177.300 -0.332 0.000 1.149 166 P CA 1.544 64.394 63.100 -0.416 0.000 0.817 166 P CB -0.027 31.092 31.700 -0.968 0.000 0.785 167 A N 1.546 124.232 122.820 -0.223 0.000 2.566 167 A HA 0.085 4.405 4.320 0.000 0.000 0.245 167 A C -1.014 176.532 177.584 -0.064 0.000 1.056 167 A CA -0.353 51.657 52.037 -0.046 0.000 0.757 167 A CB -0.416 18.593 19.000 0.015 0.000 0.979 167 A HN 0.181 nan 8.150 nan 0.000 0.508 168 P HA 0.101 nan 4.420 nan 0.000 0.238 168 P C 0.102 177.396 177.300 -0.010 0.000 1.183 168 P CA 0.681 63.770 63.100 -0.019 0.000 0.813 168 P CB 0.596 32.297 31.700 0.000 0.000 0.944 169 E N -0.270 119.942 120.200 0.020 0.000 2.404 169 E HA 0.341 4.692 4.350 0.000 0.000 0.264 169 E C -0.358 176.290 176.600 0.080 0.000 0.946 169 E CA -1.039 55.382 56.400 0.034 0.000 0.806 169 E CB 0.752 30.476 29.700 0.040 0.000 1.334 169 E HN -0.065 nan 8.360 nan 0.000 0.429 170 N N 0.655 119.411 118.700 0.093 0.000 2.493 170 N HA 0.252 4.992 4.740 0.000 0.000 0.275 170 N C -0.229 175.387 175.510 0.177 0.000 1.186 170 N CA -0.353 52.799 53.050 0.170 0.000 0.978 170 N CB 0.672 39.231 38.487 0.121 0.000 1.184 170 N HN 0.316 nan 8.380 nan 0.000 0.487 171 L N 1.786 123.126 121.223 0.195 0.000 2.578 171 L HA 0.040 4.380 4.340 0.000 0.000 0.279 171 L C -1.936 174.967 176.870 0.055 0.000 1.227 171 L CA -0.938 53.913 54.840 0.017 0.000 0.900 171 L CB -0.415 41.527 42.059 -0.195 0.000 1.144 171 L HN 0.214 nan 8.230 nan 0.000 0.496 172 P HA 0.250 nan 4.420 nan 0.000 0.277 172 P C -0.684 176.741 177.300 0.209 0.000 1.240 172 P CA -0.275 62.923 63.100 0.165 0.000 0.798 172 P CB 0.854 32.664 31.700 0.185 0.000 0.979 173 I N 4.707 125.357 120.570 0.133 0.000 2.336 173 I HA 0.349 4.519 4.170 0.000 0.000 0.292 173 I C -1.970 174.179 176.117 0.053 0.000 0.991 173 I CA -2.203 59.120 61.300 0.039 0.000 1.227 173 I CB 1.405 39.420 38.000 0.025 0.000 1.366 173 I HN 0.254 nan 8.210 nan 0.000 0.466 174 P HA 0.222 nan 4.420 nan 0.000 0.282 174 P C -0.543 176.704 177.300 -0.088 0.000 1.259 174 P CA -0.678 62.378 63.100 -0.073 0.000 0.826 174 P CB 1.059 32.444 31.700 -0.525 0.000 1.064 175 L N 0.957 122.168 121.223 -0.019 0.000 2.780 175 L HA 0.156 4.496 4.340 0.000 0.000 0.275 175 L C 0.785 177.563 176.870 -0.154 0.000 1.153 175 L CA 0.612 55.421 54.840 -0.052 0.000 0.993 175 L CB -0.821 41.228 42.059 -0.017 0.000 1.319 175 L HN 0.516 nan 8.230 nan 0.000 0.479 176 A N 5.757 128.489 122.820 -0.145 0.000 2.556 176 A HA 0.954 5.274 4.320 0.000 0.000 0.294 176 A C -1.107 176.404 177.584 -0.123 0.000 1.091 176 A CA -0.703 51.212 52.037 -0.205 0.000 0.704 176 A CB 2.035 20.897 19.000 -0.230 0.000 1.300 176 A HN 0.623 nan 8.150 nan 0.000 0.406 177 K N 0.183 120.495 120.400 -0.147 0.000 2.712 177 K HA 0.372 4.692 4.320 0.000 0.000 0.274 177 K C -1.953 174.615 176.600 -0.054 0.000 1.025 177 K CA -0.728 55.543 56.287 -0.026 0.000 0.904 177 K CB 0.327 32.813 32.500 -0.023 0.000 1.392 177 K HN 0.291 nan 8.250 nan 0.000 0.392 178 F N 2.602 122.457 119.950 -0.158 0.000 2.467 178 F HA 0.168 4.695 4.527 0.000 0.000 0.362 178 F C 1.359 177.097 175.800 -0.103 0.000 1.090 178 F CA -0.657 57.241 58.000 -0.169 0.000 1.202 178 F CB 0.636 39.520 39.000 -0.193 0.000 1.113 178 F HN 0.534 nan 8.300 nan 0.000 0.541 179 I N -0.476 120.119 120.570 0.043 0.000 3.875 179 I HA 0.311 4.481 4.170 0.000 0.000 0.329 179 I C -0.400 175.758 176.117 0.069 0.000 1.295 179 I CA -0.099 61.238 61.300 0.061 0.000 1.129 179 I CB -0.992 37.060 38.000 0.088 0.000 1.008 179 I HN 0.501 nan 8.210 nan 0.000 0.413 180 D N -1.626 118.827 120.400 0.089 0.000 2.827 180 D HA 0.045 4.685 4.640 0.000 0.000 0.336 180 D C 0.052 176.423 176.300 0.118 0.000 1.374 180 D CA -0.594 53.450 54.000 0.074 0.000 0.794 180 D CB 0.131 40.957 40.800 0.044 0.000 1.364 180 D HN 0.008 nan 8.370 nan 0.000 0.464 181 E N -0.998 119.249 120.200 0.079 0.000 2.333 181 E HA -0.056 4.294 4.350 0.000 0.000 0.198 181 E C 0.657 177.328 176.600 0.118 0.000 1.007 181 E CA 1.387 57.839 56.400 0.086 0.000 0.845 181 E CB 0.011 29.740 29.700 0.048 0.000 0.766 181 E HN 0.418 nan 8.360 nan 0.000 0.507 182 T N -0.163 114.434 114.554 0.073 0.000 3.209 182 T HA 0.083 4.433 4.350 0.000 0.000 0.295 182 T C -0.602 174.039 174.700 -0.098 0.000 0.977 182 T CA -0.111 61.999 62.100 0.016 0.000 0.922 182 T CB 0.523 69.404 68.868 0.021 0.000 1.152 182 T HN -0.111 nan 8.240 nan 0.000 0.527 183 T N 2.184 116.657 114.554 -0.136 0.000 2.937 183 T HA 0.571 4.921 4.350 0.000 0.000 0.297 183 T C -0.644 173.804 174.700 -0.419 0.000 0.991 183 T CA -0.427 61.535 62.100 -0.229 0.000 0.990 183 T CB 1.230 70.063 68.868 -0.058 0.000 0.991 183 T HN 0.214 nan 8.240 nan 0.000 0.440 184 I N 3.291 123.482 120.570 -0.632 0.000 2.437 184 I HA 0.456 4.626 4.170 0.000 0.000 0.298 184 I C 0.228 176.041 176.117 -0.508 0.000 0.984 184 I CA -0.997 59.863 61.300 -0.734 0.000 1.214 184 I CB 1.629 39.090 38.000 -0.899 0.000 1.365 184 I HN 0.597 nan 8.210 nan 0.000 0.469 185 Q N 6.466 125.951 119.800 -0.525 0.000 2.401 185 Q HA 0.580 4.920 4.340 0.000 0.000 0.260 185 Q C -1.529 174.069 176.000 -0.670 0.000 1.034 185 Q CA -0.596 54.743 55.803 -0.772 0.000 0.737 185 Q CB 1.179 29.262 28.738 -1.092 0.000 1.227 185 Q HN 0.568 nan 8.270 nan 0.000 0.488 186 L N 2.425 123.216 121.223 -0.721 0.000 2.452 186 L HA 0.649 4.989 4.340 0.000 0.000 0.267 186 L C 1.021 177.445 176.870 -0.743 0.000 1.188 186 L CA 0.555 54.929 54.840 -0.776 0.000 0.821 186 L CB 0.048 41.452 42.059 -1.091 0.000 1.102 186 L HN 1.046 nan 8.230 nan 0.000 0.470 187 G N 0.000 108.521 108.800 -0.466 0.000 5.446 187 G HA2 0.000 3.960 3.960 0.000 0.000 0.244 187 G HA3 0.000 3.960 3.960 0.000 0.000 0.244 187 G CA 0.000 45.062 45.100 -0.063 0.000 0.502 187 G HN 0.000 nan 8.290 nan 0.000 0.925