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 1t5e_1_J DATA FIRST_RESID 29 DATA SEQUENCE TELPGRTNAF RIAEVRPQVN GIILKRLFKE GSDVKAGQQL YQIDPATYEA DATA SEQUENCE DYQSAQANLA STQEQAQRYK LLVADQAVSK QQYADANAAY LQSKAAVEQA DATA SEQUENCE RINLRYTKVL SPISGRIGRS AVTEGALVTN GQANAMATVQ QLDPIYVDVT DATA SEQUENCE QPSTALLRLR RELASGQLER AGDNAAKVSL KLEDGSQYPL EGRLEFSEVS DATA SEQUENCE VDEGTGSVTI RAVFPNPNNE LLPGMFVHAQ L 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 29 T HA 0.000 nan 4.350 nan 0.000 0.228 29 T C 0.000 174.730 174.700 0.050 0.000 1.109 29 T CA 0.000 62.125 62.100 0.041 0.000 1.349 29 T CB 0.000 68.901 68.868 0.056 0.000 0.612 30 E N 2.740 122.961 120.200 0.034 0.000 2.113 30 E HA 0.477 4.827 4.350 -0.000 0.000 0.273 30 E C -0.539 176.121 176.600 0.100 0.000 0.924 30 E CA -0.679 55.748 56.400 0.044 0.000 0.764 30 E CB 1.219 30.882 29.700 -0.062 0.000 1.104 30 E HN 0.464 nan 8.360 nan 0.000 0.406 31 L N 6.234 127.548 121.223 0.151 0.000 2.265 31 L HA 0.421 4.761 4.340 -0.000 0.000 0.289 31 L C -2.062 174.942 176.870 0.223 0.000 1.033 31 L CA -2.143 52.793 54.840 0.161 0.000 0.814 31 L CB 0.748 42.878 42.059 0.118 0.000 1.203 31 L HN 0.279 nan 8.230 nan 0.000 0.423 32 P HA 0.357 nan 4.420 nan 0.000 0.274 32 P C -0.278 177.015 177.300 -0.013 0.000 1.231 32 P CA 0.028 63.186 63.100 0.097 0.000 0.790 32 P CB 1.985 33.771 31.700 0.143 0.000 0.951 33 G N 1.382 110.113 108.800 -0.114 0.000 2.495 33 G HA2 0.491 4.451 3.960 -0.000 0.000 0.294 33 G HA3 0.491 4.451 3.960 -0.000 0.000 0.294 33 G C -1.525 173.263 174.900 -0.187 0.000 1.397 33 G CA -0.674 44.362 45.100 -0.106 0.000 0.790 33 G HN 0.349 nan 8.290 nan 0.000 0.486 34 R N 0.157 120.539 120.500 -0.197 0.000 2.740 34 R HA 0.650 4.990 4.340 -0.000 0.000 0.282 34 R C -0.070 176.131 176.300 -0.167 0.000 0.969 34 R CA -0.591 55.339 56.100 -0.283 0.000 0.918 34 R CB 1.441 31.518 30.300 -0.371 0.000 1.175 34 R HN 0.844 nan 8.270 nan 0.000 0.464 35 T N 0.033 114.489 114.554 -0.163 0.000 2.897 35 T HA 0.466 4.816 4.350 -0.000 0.000 0.294 35 T C 0.158 174.831 174.700 -0.045 0.000 1.004 35 T CA -0.712 61.337 62.100 -0.086 0.000 1.106 35 T CB 0.894 69.694 68.868 -0.112 0.000 0.949 35 T HN 0.310 nan 8.240 nan 0.000 0.520 36 N N 0.128 118.852 118.700 0.040 0.000 2.277 36 N HA 0.524 5.264 4.740 -0.000 0.000 0.286 36 N C -0.545 175.048 175.510 0.139 0.000 1.140 36 N CA -0.651 52.440 53.050 0.068 0.000 0.799 36 N CB 2.233 40.759 38.487 0.066 0.000 1.596 36 N HN 0.970 nan 8.380 nan 0.000 0.473 37 A N 0.707 123.590 122.820 0.105 0.000 2.547 37 A HA 0.016 4.336 4.320 -0.000 0.000 0.233 37 A C 0.833 178.550 177.584 0.223 0.000 1.067 37 A CA 0.188 52.298 52.037 0.122 0.000 0.763 37 A CB -0.176 18.872 19.000 0.081 0.000 1.007 37 A HN 0.712 nan 8.150 nan 0.000 0.506 38 F N 0.687 120.618 119.950 -0.032 0.000 2.293 38 F HA 0.159 4.686 4.527 0.000 0.000 0.297 38 F C 1.180 177.010 175.800 0.050 0.000 1.089 38 F CA 1.561 59.465 58.000 -0.161 0.000 1.377 38 F CB 0.081 38.893 39.000 -0.314 0.000 1.051 38 F HN 0.638 nan 8.300 nan 0.000 0.511 39 R N 0.424 120.995 120.500 0.117 0.000 2.579 39 R HA 0.437 4.777 4.340 -0.000 0.000 0.260 39 R C -2.011 174.316 176.300 0.045 0.000 1.103 39 R CA -0.463 55.659 56.100 0.036 0.000 0.942 39 R CB 1.159 31.485 30.300 0.044 0.000 1.251 39 R HN 0.035 nan 8.270 nan 0.000 0.450 40 I N 2.693 123.274 120.570 0.019 0.000 2.608 40 I HA 0.769 4.939 4.170 -0.000 0.000 0.295 40 I C -0.466 175.653 176.117 0.003 0.000 1.049 40 I CA -1.008 60.300 61.300 0.013 0.000 1.063 40 I CB 2.155 40.162 38.000 0.012 0.000 1.248 40 I HN 0.760 nan 8.210 nan 0.000 0.424 41 A N 4.453 127.273 122.820 0.000 0.000 2.566 41 A HA 0.787 5.107 4.320 -0.000 0.000 0.292 41 A C -1.262 176.320 177.584 -0.003 0.000 1.112 41 A CA -0.603 51.433 52.037 -0.003 0.000 0.707 41 A CB 2.029 21.026 19.000 -0.005 0.000 1.302 41 A HN 0.737 nan 8.150 nan 0.000 0.409 42 E N -0.156 120.045 120.200 0.001 0.000 2.256 42 E HA 0.568 4.918 4.350 -0.000 0.000 0.267 42 E C -1.340 175.268 176.600 0.014 0.000 0.892 42 E CA -0.860 55.544 56.400 0.007 0.000 0.775 42 E CB 2.416 32.120 29.700 0.007 0.000 1.207 42 E HN 0.396 nan 8.360 nan 0.000 0.420 43 V N 2.809 122.740 119.914 0.027 0.000 2.398 43 V HA 0.527 4.647 4.120 -0.000 0.000 0.286 43 V C -0.084 176.032 176.094 0.037 0.000 1.026 43 V CA -0.581 61.750 62.300 0.052 0.000 0.868 43 V CB 1.021 32.907 31.823 0.105 0.000 0.982 43 V HN 0.597 nan 8.190 nan 0.000 0.443 44 R N 4.527 125.042 120.500 0.025 0.000 2.740 44 R HA 0.575 4.915 4.340 -0.000 0.000 0.273 44 R C -2.897 173.395 176.300 -0.014 0.000 0.998 44 R CA -1.601 54.495 56.100 -0.008 0.000 0.900 44 R CB 2.949 33.243 30.300 -0.011 0.000 1.223 44 R HN 0.498 nan 8.270 nan 0.000 0.466 45 P HA 0.181 nan 4.420 nan 0.000 0.281 45 P C -1.014 176.235 177.300 -0.086 0.000 1.249 45 P CA -0.377 62.693 63.100 -0.050 0.000 0.810 45 P CB 1.198 32.857 31.700 -0.067 0.000 1.008 46 Q N -0.072 119.644 119.800 -0.139 0.000 2.055 46 Q HA 0.417 4.757 4.340 -0.000 0.000 0.226 46 Q C -0.455 175.304 176.000 -0.402 0.000 0.805 46 Q CA -0.159 55.441 55.803 -0.338 0.000 1.072 46 Q CB 1.512 29.887 28.738 -0.607 0.000 1.219 46 Q HN 0.196 nan 8.270 nan 0.000 0.451 47 V N 0.129 119.925 119.914 -0.196 0.000 3.147 47 V HA 0.325 4.445 4.120 -0.000 0.000 0.299 47 V C -1.658 174.434 176.094 -0.004 0.000 1.302 47 V CA -0.747 61.462 62.300 -0.151 0.000 1.015 47 V CB 2.665 34.343 31.823 -0.243 0.000 1.086 47 V HN 0.283 nan 8.190 nan 0.000 0.437 48 N N 2.130 120.899 118.700 0.115 0.000 2.498 48 N HA 0.765 5.505 4.740 -0.000 0.000 0.287 48 N C -0.078 175.555 175.510 0.206 0.000 1.097 48 N CA 0.333 53.462 53.050 0.132 0.000 0.973 48 N CB 1.663 40.212 38.487 0.103 0.000 1.153 48 N HN 1.111 nan 8.380 nan 0.000 0.472 49 G N 0.824 109.687 108.800 0.105 0.000 2.327 49 G HA2 0.159 4.119 3.960 -0.000 0.000 0.291 49 G HA3 0.159 4.119 3.960 -0.000 0.000 0.291 49 G C -1.867 173.060 174.900 0.045 0.000 1.290 49 G CA -0.732 44.422 45.100 0.089 0.000 0.857 49 G HN 0.288 nan 8.290 nan 0.000 0.520 50 I N 1.278 121.871 120.570 0.038 0.000 2.359 50 I HA 0.346 4.516 4.170 -0.000 0.000 0.294 50 I C 0.388 176.529 176.117 0.040 0.000 0.987 50 I CA -0.991 60.324 61.300 0.025 0.000 1.225 50 I CB 1.431 39.440 38.000 0.015 0.000 1.366 50 I HN 0.282 nan 8.210 nan 0.000 0.466 51 I N 6.920 127.507 120.570 0.028 0.000 2.576 51 I HA -0.079 4.091 4.170 -0.000 0.000 0.288 51 I C 1.147 177.305 176.117 0.069 0.000 1.126 51 I CA 0.121 61.453 61.300 0.053 0.000 1.362 51 I CB 0.288 38.312 38.000 0.040 0.000 1.419 51 I HN 0.513 nan 8.210 nan 0.000 0.533 52 L N 7.672 128.944 121.223 0.082 0.000 2.034 52 L HA 0.047 4.387 4.340 -0.000 0.000 0.203 52 L C 0.890 177.800 176.870 0.067 0.000 1.074 52 L CA 1.813 56.692 54.840 0.065 0.000 0.748 52 L CB -0.091 42.008 42.059 0.065 0.000 0.905 52 L HN 0.523 nan 8.230 nan 0.000 0.439 53 K N -1.098 119.357 120.400 0.092 0.000 2.508 53 K HA 0.377 4.697 4.320 -0.000 0.000 0.260 53 K C -0.837 175.820 176.600 0.095 0.000 0.949 53 K CA -0.797 55.530 56.287 0.066 0.000 0.834 53 K CB 2.313 34.833 32.500 0.034 0.000 1.365 53 K HN -0.232 nan 8.250 nan 0.000 0.437 54 R N 3.901 124.396 120.500 -0.008 0.000 2.423 54 R HA 0.211 4.551 4.340 -0.000 0.000 0.293 54 R C -0.365 175.755 176.300 -0.299 0.000 1.196 54 R CA -0.295 55.693 56.100 -0.187 0.000 1.262 54 R CB -0.020 30.140 30.300 -0.234 0.000 1.116 54 R HN 0.668 nan 8.270 nan 0.000 0.566 55 L N 5.419 126.542 121.223 -0.167 0.000 3.062 55 L HA 0.141 4.481 4.340 -0.000 0.000 0.264 55 L C -0.208 176.660 176.870 -0.002 0.000 1.242 55 L CA 0.157 54.951 54.840 -0.076 0.000 1.072 55 L CB -1.467 40.589 42.059 -0.005 0.000 1.420 55 L HN 0.332 nan 8.230 nan 0.000 0.412 56 F N -1.992 117.862 119.950 -0.160 0.000 2.654 56 F HA 0.533 5.060 4.527 -0.000 0.000 0.308 56 F C -0.677 175.071 175.800 -0.087 0.000 1.108 56 F CA -1.762 56.163 58.000 -0.124 0.000 0.957 56 F CB 1.290 40.196 39.000 -0.156 0.000 1.309 56 F HN -0.217 nan 8.300 nan 0.000 0.446 57 K N 2.575 123.061 120.400 0.142 0.000 2.248 57 K HA 0.218 4.538 4.320 -0.000 0.000 0.281 57 K C -0.453 176.261 176.600 0.190 0.000 1.054 57 K CA -0.290 56.028 56.287 0.052 0.000 0.903 57 K CB 0.685 33.212 32.500 0.045 0.000 1.077 57 K HN 0.824 nan 8.250 nan 0.000 0.474 58 E N 2.342 122.592 120.200 0.085 0.000 2.529 58 E HA -0.049 4.301 4.350 -0.000 0.000 0.259 58 E C 0.730 177.411 176.600 0.135 0.000 0.966 58 E CA 0.992 57.501 56.400 0.183 0.000 0.937 58 E CB 0.324 30.076 29.700 0.085 0.000 0.923 58 E HN 1.002 nan 8.360 nan 0.000 0.468 59 G N 2.604 111.487 108.800 0.138 0.000 2.176 59 G HA2 -0.341 3.619 3.960 -0.000 0.000 0.253 59 G HA3 -0.341 3.619 3.960 -0.000 0.000 0.253 59 G C 0.511 175.449 174.900 0.063 0.000 0.979 59 G CA 0.484 45.630 45.100 0.078 0.000 0.641 59 G HN 0.684 nan 8.290 nan 0.000 0.530 60 S N -0.614 115.138 115.700 0.085 0.000 2.598 60 S HA 0.603 5.073 4.470 -0.000 0.000 0.267 60 S C -0.324 174.291 174.600 0.023 0.000 1.189 60 S CA -0.114 58.120 58.200 0.057 0.000 1.010 60 S CB 1.601 64.848 63.200 0.078 0.000 1.084 60 S HN 0.158 nan 8.310 nan 0.000 0.541 61 D N 0.218 120.625 120.400 0.012 0.000 2.308 61 D HA 0.539 5.179 4.640 -0.000 0.000 0.242 61 D C -1.267 175.022 176.300 -0.019 0.000 1.059 61 D CA -0.228 53.767 54.000 -0.009 0.000 0.830 61 D CB 1.974 42.770 40.800 -0.006 0.000 1.161 61 D HN 0.332 nan 8.370 nan 0.000 0.494 62 V N 2.570 122.457 119.914 -0.045 0.000 2.960 62 V HA 0.462 4.582 4.120 -0.000 0.000 0.315 62 V C -0.934 175.132 176.094 -0.048 0.000 1.087 62 V CA -0.625 61.640 62.300 -0.058 0.000 0.982 62 V CB 2.301 34.048 31.823 -0.127 0.000 1.039 62 V HN 0.354 nan 8.190 nan 0.000 0.437 63 K N 3.552 123.928 120.400 -0.039 0.000 2.164 63 K HA 0.739 5.059 4.320 -0.000 0.000 0.258 63 K C -0.226 176.356 176.600 -0.031 0.000 0.951 63 K CA -0.328 55.942 56.287 -0.029 0.000 0.844 63 K CB 1.786 34.275 32.500 -0.020 0.000 1.099 63 K HN 0.921 nan 8.250 nan 0.000 0.435 64 A N 1.310 124.116 122.820 -0.023 0.000 2.566 64 A HA 0.324 4.644 4.320 -0.000 0.000 0.245 64 A C 1.178 178.750 177.584 -0.019 0.000 1.056 64 A CA 1.225 53.249 52.037 -0.020 0.000 0.757 64 A CB -0.900 18.093 19.000 -0.011 0.000 0.979 64 A HN 0.979 nan 8.150 nan 0.000 0.508 65 G N 0.948 109.735 108.800 -0.021 0.000 2.194 65 G HA2 -0.224 3.736 3.960 -0.000 0.000 0.236 65 G HA3 -0.224 3.736 3.960 -0.000 0.000 0.236 65 G C 0.357 175.246 174.900 -0.018 0.000 0.987 65 G CA 0.360 45.449 45.100 -0.020 0.000 0.635 65 G HN 1.109 nan 8.290 nan 0.000 0.520 66 Q N 0.826 120.613 119.800 -0.022 0.000 2.296 66 Q HA 0.405 4.745 4.340 -0.000 0.000 0.262 66 Q C 0.589 176.581 176.000 -0.012 0.000 0.981 66 Q CA -0.280 55.512 55.803 -0.019 0.000 0.905 66 Q CB 0.420 29.142 28.738 -0.027 0.000 1.186 66 Q HN 0.502 nan 8.270 nan 0.000 0.399 67 Q N 3.955 123.757 119.800 0.003 0.000 2.247 67 Q HA -0.051 4.289 4.340 -0.000 0.000 0.288 67 Q C -0.035 175.979 176.000 0.023 0.000 1.079 67 Q CA 0.290 56.107 55.803 0.024 0.000 0.932 67 Q CB 0.507 29.262 28.738 0.030 0.000 1.133 67 Q HN 0.818 nan 8.270 nan 0.000 0.377 68 L N 3.858 125.100 121.223 0.033 0.000 2.470 68 L HA 0.204 4.544 4.340 -0.000 0.000 0.219 68 L C -0.273 176.487 176.870 -0.183 0.000 1.071 68 L CA 0.202 55.022 54.840 -0.032 0.000 0.850 68 L CB 0.266 42.251 42.059 -0.124 0.000 1.040 68 L HN 0.679 nan 8.230 nan 0.000 0.475 69 Y N -1.158 119.238 120.300 0.161 0.000 2.625 69 Y HA 0.466 5.016 4.550 -0.000 0.000 0.338 69 Y C -0.584 175.365 175.900 0.082 0.000 1.123 69 Y CA -1.076 57.100 58.100 0.127 0.000 1.046 69 Y CB 1.630 40.164 38.460 0.124 0.000 1.299 69 Y HN -0.223 nan 8.280 nan 0.000 0.464 70 Q N 1.916 121.872 119.800 0.260 0.000 2.303 70 Q HA 0.525 4.865 4.340 -0.000 0.000 0.267 70 Q C -1.934 174.157 176.000 0.150 0.000 1.011 70 Q CA -0.160 55.739 55.803 0.160 0.000 0.740 70 Q CB 1.071 29.875 28.738 0.109 0.000 1.250 70 Q HN 0.649 nan 8.270 nan 0.000 0.458 71 I N 2.958 123.611 120.570 0.138 0.000 2.395 71 I HA 0.141 4.311 4.170 -0.000 0.000 0.289 71 I C 0.175 176.374 176.117 0.136 0.000 1.023 71 I CA -0.637 60.740 61.300 0.129 0.000 1.350 71 I CB 0.926 39.008 38.000 0.135 0.000 1.409 71 I HN 0.697 nan 8.210 nan 0.000 0.507 72 D N 9.935 130.399 120.400 0.106 0.000 2.554 72 D HA -0.054 4.586 4.640 -0.000 0.000 0.251 72 D C -1.593 174.778 176.300 0.119 0.000 1.213 72 D CA -1.065 52.986 54.000 0.085 0.000 0.900 72 D CB 0.820 41.648 40.800 0.046 0.000 1.135 72 D HN 0.293 nan 8.370 nan 0.000 0.522 73 P HA 0.153 nan 4.420 nan 0.000 0.268 73 P C 0.915 178.282 177.300 0.111 0.000 1.329 73 P CA -0.052 63.160 63.100 0.186 0.000 0.899 73 P CB 0.435 32.232 31.700 0.161 0.000 1.378 74 A N 1.202 124.052 122.820 0.049 0.000 1.915 74 A HA -0.220 4.100 4.320 -0.000 0.000 0.220 74 A C 2.137 179.728 177.584 0.012 0.000 1.198 74 A CA 2.931 54.983 52.037 0.026 0.000 0.647 74 A CB -1.803 17.198 19.000 0.003 0.000 0.825 74 A HN 0.291 nan 8.150 nan 0.000 0.456 75 T N -2.041 112.480 114.554 -0.055 0.000 2.894 75 T HA -0.015 4.335 4.350 -0.000 0.000 0.258 75 T C 1.776 176.459 174.700 -0.027 0.000 1.043 75 T CA 1.245 63.288 62.100 -0.095 0.000 1.141 75 T CB -0.507 68.230 68.868 -0.219 0.000 0.873 75 T HN 0.552 nan 8.240 nan 0.000 0.449 76 Y N 1.654 121.982 120.300 0.046 0.000 2.151 76 Y HA -0.203 4.347 4.550 -0.000 0.000 0.284 76 Y C 2.874 178.827 175.900 0.088 0.000 1.166 76 Y CA 1.212 59.346 58.100 0.056 0.000 1.163 76 Y CB -0.193 38.291 38.460 0.040 0.000 0.974 76 Y HN 0.188 nan 8.280 nan 0.000 0.511 77 E N 0.736 121.082 120.200 0.243 0.000 2.058 77 E HA -0.228 4.122 4.350 -0.000 0.000 0.194 77 E C 2.204 178.917 176.600 0.188 0.000 0.997 77 E CA 1.527 58.050 56.400 0.205 0.000 0.801 77 E CB -0.461 29.325 29.700 0.143 0.000 0.746 77 E HN 0.334 nan 8.360 nan 0.000 0.450 78 A N 0.721 123.612 122.820 0.119 0.000 1.902 78 A HA -0.198 4.122 4.320 -0.000 0.000 0.217 78 A C 1.956 179.590 177.584 0.084 0.000 1.181 78 A CA 1.911 53.994 52.037 0.076 0.000 0.623 78 A CB -0.706 18.315 19.000 0.036 0.000 0.818 78 A HN 0.308 nan 8.150 nan 0.000 0.443 79 D N -1.666 118.804 120.400 0.115 0.000 2.117 79 D HA -0.142 4.498 4.640 -0.000 0.000 0.198 79 D C 1.709 178.103 176.300 0.157 0.000 0.982 79 D CA 1.491 55.562 54.000 0.118 0.000 0.828 79 D CB -0.482 40.404 40.800 0.143 0.000 0.967 79 D HN 0.554 nan 8.370 nan 0.000 0.464 80 Y N 1.912 122.253 120.300 0.067 0.000 2.128 80 Y HA -0.217 4.333 4.550 -0.000 0.000 0.284 80 Y C 2.220 178.140 175.900 0.034 0.000 1.154 80 Y CA 1.726 59.856 58.100 0.051 0.000 1.149 80 Y CB -0.315 38.178 38.460 0.056 0.000 0.976 80 Y HN 0.006 nan 8.280 nan 0.000 0.505 81 Q N -1.293 118.469 119.800 -0.064 0.000 2.172 81 Q HA -0.136 4.204 4.340 -0.000 0.000 0.200 81 Q C 2.561 178.488 176.000 -0.122 0.000 0.964 81 Q CA 1.251 56.943 55.803 -0.186 0.000 0.855 81 Q CB -0.251 28.450 28.738 -0.061 0.000 0.918 81 Q HN 0.440 nan 8.270 nan 0.000 0.444 82 S N 0.689 116.362 115.700 -0.044 0.000 2.370 82 S HA -0.203 4.267 4.470 -0.000 0.000 0.226 82 S C 1.950 176.522 174.600 -0.047 0.000 1.033 82 S CA 1.153 59.335 58.200 -0.030 0.000 1.011 82 S CB -0.170 63.031 63.200 0.000 0.000 0.852 82 S HN 0.444 nan 8.310 nan 0.000 0.457 83 A N 1.137 123.928 122.820 -0.047 0.000 1.834 83 A HA -0.180 4.140 4.320 -0.000 0.000 0.216 83 A C 2.093 179.620 177.584 -0.096 0.000 1.203 83 A CA 1.902 53.910 52.037 -0.047 0.000 0.621 83 A CB -1.332 17.666 19.000 -0.004 0.000 0.841 83 A HN 0.694 nan 8.150 nan 0.000 0.446 84 Q N -0.783 118.897 119.800 -0.200 0.000 2.224 84 Q HA -0.299 4.041 4.340 -0.000 0.000 0.213 84 Q C 2.341 178.273 176.000 -0.114 0.000 0.998 84 Q CA 1.798 57.481 55.803 -0.201 0.000 0.895 84 Q CB -0.526 27.999 28.738 -0.356 0.000 0.926 84 Q HN 0.723 nan 8.270 nan 0.000 0.417 85 A N 1.333 124.092 122.820 -0.102 0.000 1.877 85 A HA -0.254 4.066 4.320 -0.000 0.000 0.216 85 A C 1.933 179.492 177.584 -0.042 0.000 1.186 85 A CA 1.633 53.632 52.037 -0.063 0.000 0.620 85 A CB -0.749 18.219 19.000 -0.053 0.000 0.822 85 A HN 0.411 nan 8.150 nan 0.000 0.443 86 N N 0.160 118.836 118.700 -0.040 0.000 2.043 86 N HA -0.174 4.566 4.740 -0.000 0.000 0.193 86 N C 1.790 177.293 175.510 -0.012 0.000 1.037 86 N CA 1.936 54.971 53.050 -0.025 0.000 0.851 86 N CB -0.450 38.023 38.487 -0.023 0.000 1.027 86 N HN 0.323 nan 8.380 nan 0.000 0.422 87 L N 1.672 122.886 121.223 -0.015 0.000 1.990 87 L HA -0.113 4.227 4.340 -0.000 0.000 0.213 87 L C 2.430 179.328 176.870 0.046 0.000 1.072 87 L CA 2.330 57.181 54.840 0.018 0.000 0.755 87 L CB -1.476 40.582 42.059 -0.002 0.000 0.889 87 L HN 0.255 nan 8.230 nan 0.000 0.432 88 A N -1.459 121.367 122.820 0.010 0.000 1.927 88 A HA -0.309 4.011 4.320 -0.000 0.000 0.220 88 A C 2.549 180.133 177.584 -0.001 0.000 1.185 88 A CA 2.483 54.524 52.037 0.005 0.000 0.639 88 A CB -1.247 17.743 19.000 -0.017 0.000 0.820 88 A HN 0.630 nan 8.150 nan 0.000 0.451 89 S N -0.904 114.791 115.700 -0.009 0.000 2.335 89 S HA -0.148 4.322 4.470 -0.000 0.000 0.217 89 S C 2.283 176.865 174.600 -0.030 0.000 1.032 89 S CA 2.329 60.514 58.200 -0.025 0.000 0.985 89 S CB -0.868 62.315 63.200 -0.028 0.000 0.896 89 S HN 0.834 nan 8.310 nan 0.000 0.445 90 T N -0.134 114.421 114.554 0.002 0.000 2.803 90 T HA -0.166 4.184 4.350 -0.000 0.000 0.269 90 T C 1.946 176.666 174.700 0.034 0.000 1.052 90 T CA 1.660 63.769 62.100 0.015 0.000 1.136 90 T CB -0.688 68.219 68.868 0.064 0.000 0.864 90 T HN 0.558 nan 8.240 nan 0.000 0.467 91 Q N 0.588 120.447 119.800 0.098 0.000 2.084 91 Q HA -0.177 4.163 4.340 -0.000 0.000 0.202 91 Q C 2.569 178.472 176.000 -0.161 0.000 0.978 91 Q CA 1.474 57.259 55.803 -0.031 0.000 0.844 91 Q CB -0.143 28.642 28.738 0.078 0.000 0.898 91 Q HN 0.583 nan 8.270 nan 0.000 0.426 92 E N 0.512 120.653 120.200 -0.098 0.000 2.038 92 E HA -0.281 4.069 4.350 -0.000 0.000 0.195 92 E C 1.935 178.436 176.600 -0.166 0.000 1.000 92 E CA 1.795 58.128 56.400 -0.111 0.000 0.803 92 E CB -0.112 29.540 29.700 -0.079 0.000 0.750 92 E HN 0.352 nan 8.360 nan 0.000 0.448 93 Q N 0.645 120.321 119.800 -0.207 0.000 2.096 93 Q HA -0.202 4.138 4.340 -0.000 0.000 0.208 93 Q C 1.938 177.680 176.000 -0.431 0.000 0.993 93 Q CA 2.719 58.298 55.803 -0.374 0.000 0.862 93 Q CB -0.627 27.903 28.738 -0.347 0.000 0.915 93 Q HN 0.309 nan 8.270 nan 0.000 0.416 94 A N 0.151 122.796 122.820 -0.291 0.000 1.828 94 A HA -0.293 4.027 4.320 -0.000 0.000 0.215 94 A C 2.036 179.561 177.584 -0.099 0.000 1.203 94 A CA 1.896 53.785 52.037 -0.246 0.000 0.614 94 A CB -1.029 17.771 19.000 -0.334 0.000 0.844 94 A HN 0.615 nan 8.150 nan 0.000 0.445 95 Q N -1.111 118.599 119.800 -0.150 0.000 2.156 95 Q HA -0.297 4.043 4.340 -0.000 0.000 0.211 95 Q C 2.361 178.377 176.000 0.027 0.000 0.995 95 Q CA 2.172 57.939 55.803 -0.060 0.000 0.877 95 Q CB -0.263 28.414 28.738 -0.102 0.000 0.920 95 Q HN 0.660 nan 8.270 nan 0.000 0.416 96 R N -0.245 120.256 120.500 0.001 0.000 2.073 96 R HA -0.108 4.232 4.340 -0.000 0.000 0.229 96 R C 1.985 178.436 176.300 0.252 0.000 1.120 96 R CA 1.151 57.293 56.100 0.071 0.000 0.967 96 R CB -0.144 30.158 30.300 0.003 0.000 0.862 96 R HN 0.401 nan 8.270 nan 0.000 0.436 97 Y N 0.142 120.487 120.300 0.076 0.000 2.333 97 Y HA -0.241 4.309 4.550 0.000 0.000 0.290 97 Y C 2.255 178.333 175.900 0.297 0.000 1.144 97 Y CA 0.457 58.657 58.100 0.165 0.000 1.228 97 Y CB 0.110 38.651 38.460 0.135 0.000 0.985 97 Y HN 0.071 nan 8.280 nan 0.000 0.542 98 K N 1.167 121.851 120.400 0.474 0.000 2.044 98 K HA -0.185 4.135 4.320 -0.000 0.000 0.210 98 K C 1.626 178.266 176.600 0.066 0.000 1.049 98 K CA 1.490 57.932 56.287 0.259 0.000 0.927 98 K CB -0.511 32.105 32.500 0.193 0.000 0.713 98 K HN 0.294 nan 8.250 nan 0.000 0.443 99 L N -0.134 121.145 121.223 0.094 0.000 2.313 99 L HA -0.011 4.329 4.340 -0.000 0.000 0.214 99 L C 2.106 178.998 176.870 0.035 0.000 1.119 99 L CA 0.486 55.351 54.840 0.043 0.000 0.809 99 L CB -0.318 41.767 42.059 0.043 0.000 0.933 99 L HN 0.107 nan 8.230 nan 0.000 0.449 100 L N -0.858 120.408 121.223 0.071 0.000 2.179 100 L HA -0.085 4.255 4.340 -0.000 0.000 0.208 100 L C 2.528 179.379 176.870 -0.032 0.000 1.096 100 L CA 0.373 55.226 54.840 0.022 0.000 0.779 100 L CB -0.224 41.850 42.059 0.026 0.000 0.922 100 L HN 0.051 nan 8.230 nan 0.000 0.443 101 V N 0.100 119.993 119.914 -0.034 0.000 2.515 101 V HA -0.214 3.906 4.120 -0.000 0.000 0.250 101 V C 2.609 178.653 176.094 -0.083 0.000 1.058 101 V CA 1.599 63.855 62.300 -0.074 0.000 1.064 101 V CB -0.006 31.750 31.823 -0.112 0.000 0.675 101 V HN 0.413 nan 8.190 nan 0.000 0.461 102 A N -0.080 122.693 122.820 -0.078 0.000 1.892 102 A HA -0.231 4.089 4.320 -0.000 0.000 0.218 102 A C 1.717 179.273 177.584 -0.047 0.000 1.188 102 A CA 2.111 54.108 52.037 -0.068 0.000 0.631 102 A CB -0.563 18.407 19.000 -0.051 0.000 0.822 102 A HN 0.640 nan 8.150 nan 0.000 0.447 103 D N -1.570 118.809 120.400 -0.035 0.000 2.395 103 D HA 0.246 4.886 4.640 -0.000 0.000 0.226 103 D C 0.681 176.963 176.300 -0.030 0.000 1.146 103 D CA 0.540 54.523 54.000 -0.027 0.000 0.830 103 D CB 0.548 41.338 40.800 -0.017 0.000 0.958 103 D HN 0.467 nan 8.370 nan 0.000 0.501 104 Q N -0.396 119.380 119.800 -0.039 0.000 2.305 104 Q HA -0.311 4.029 4.340 -0.000 0.000 0.203 104 Q C 1.085 177.059 176.000 -0.043 0.000 0.663 104 Q CA 1.087 56.867 55.803 -0.039 0.000 1.389 104 Q CB -1.607 27.113 28.738 -0.030 0.000 1.566 104 Q HN 0.340 nan 8.270 nan 0.000 0.755 105 A N -1.197 121.596 122.820 -0.045 0.000 2.121 105 A HA 0.334 4.654 4.320 -0.000 0.000 0.218 105 A C 0.579 178.111 177.584 -0.087 0.000 1.154 105 A CA 1.299 53.307 52.037 -0.048 0.000 0.679 105 A CB 0.531 19.513 19.000 -0.031 0.000 0.795 105 A HN 0.277 nan 8.150 nan 0.000 0.458 106 V N -0.165 119.680 119.914 -0.115 0.000 2.851 106 V HA 0.349 4.469 4.120 -0.000 0.000 0.307 106 V C 0.159 176.184 176.094 -0.115 0.000 1.129 106 V CA -0.416 61.774 62.300 -0.183 0.000 0.932 106 V CB 2.177 33.761 31.823 -0.398 0.000 1.024 106 V HN 0.487 nan 8.190 nan 0.000 0.426 107 S N 3.958 119.603 115.700 -0.092 0.000 2.589 107 S HA 0.248 4.718 4.470 -0.000 0.000 0.265 107 S C 0.845 175.443 174.600 -0.004 0.000 1.342 107 S CA -0.217 57.959 58.200 -0.041 0.000 1.005 107 S CB 0.649 63.833 63.200 -0.027 0.000 0.909 107 S HN 0.718 nan 8.310 nan 0.000 0.555 108 K N 0.069 120.480 120.400 0.018 0.000 2.283 108 K HA -0.117 4.203 4.320 -0.000 0.000 0.202 108 K C 2.209 178.872 176.600 0.105 0.000 1.048 108 K CA 1.046 57.373 56.287 0.067 0.000 0.948 108 K CB -0.205 32.317 32.500 0.037 0.000 0.742 108 K HN 0.606 nan 8.250 nan 0.000 0.458 109 Q N 1.698 121.531 119.800 0.055 0.000 1.990 109 Q HA -0.159 4.181 4.340 -0.000 0.000 0.200 109 Q C 1.881 177.914 176.000 0.054 0.000 0.980 109 Q CA 1.739 57.572 55.803 0.050 0.000 0.832 109 Q CB -0.108 28.645 28.738 0.026 0.000 0.897 109 Q HN 0.262 nan 8.270 nan 0.000 0.427 110 Q N -1.224 118.590 119.800 0.024 0.000 2.077 110 Q HA -0.240 4.100 4.340 -0.000 0.000 0.206 110 Q C 1.980 178.019 176.000 0.065 0.000 0.989 110 Q CA 1.940 57.748 55.803 0.008 0.000 0.853 110 Q CB -0.442 28.215 28.738 -0.135 0.000 0.907 110 Q HN 0.519 nan 8.270 nan 0.000 0.418 111 Y N 0.768 121.059 120.300 -0.015 0.000 2.114 111 Y HA -0.258 4.292 4.550 -0.000 0.000 0.284 111 Y C 2.275 178.240 175.900 0.110 0.000 1.143 111 Y CA 1.455 59.607 58.100 0.087 0.000 1.135 111 Y CB -0.540 37.935 38.460 0.025 0.000 0.980 111 Y HN 0.100 nan 8.280 nan 0.000 0.499 112 A N 0.610 123.532 122.820 0.169 0.000 1.884 112 A HA -0.291 4.029 4.320 -0.000 0.000 0.219 112 A C 2.020 179.590 177.584 -0.024 0.000 1.197 112 A CA 2.353 54.452 52.037 0.104 0.000 0.637 112 A CB -1.147 17.931 19.000 0.130 0.000 0.827 112 A HN 0.636 nan 8.150 nan 0.000 0.450 113 D N -0.115 120.287 120.400 0.004 0.000 2.123 113 D HA -0.109 4.531 4.640 -0.000 0.000 0.196 113 D C 2.266 178.550 176.300 -0.027 0.000 0.992 113 D CA 1.580 55.583 54.000 0.004 0.000 0.833 113 D CB -0.487 40.331 40.800 0.031 0.000 0.954 113 D HN 0.472 nan 8.370 nan 0.000 0.455 114 A N 1.391 124.178 122.820 -0.054 0.000 1.883 114 A HA -0.217 4.103 4.320 -0.000 0.000 0.217 114 A C 2.034 179.528 177.584 -0.150 0.000 1.186 114 A CA 1.522 53.502 52.037 -0.095 0.000 0.624 114 A CB -0.678 18.293 19.000 -0.048 0.000 0.822 114 A HN 0.179 nan 8.150 nan 0.000 0.444 115 N N 0.192 118.714 118.700 -0.297 0.000 2.381 115 N HA -0.059 4.681 4.740 -0.000 0.000 0.182 115 N C 1.780 177.311 175.510 0.035 0.000 1.025 115 N CA 1.154 54.126 53.050 -0.131 0.000 0.888 115 N CB -0.177 38.190 38.487 -0.199 0.000 0.965 115 N HN 0.403 nan 8.380 nan 0.000 0.438 116 A N 0.931 123.746 122.820 -0.010 0.000 1.855 116 A HA 0.060 4.380 4.320 -0.000 0.000 0.215 116 A C 2.418 180.007 177.584 0.008 0.000 1.191 116 A CA 1.673 53.717 52.037 0.011 0.000 0.613 116 A CB -0.968 18.035 19.000 0.006 0.000 0.829 116 A HN 0.361 nan 8.150 nan 0.000 0.442 117 A N -1.230 121.595 122.820 0.009 0.000 1.883 117 A HA -0.146 4.174 4.320 -0.000 0.000 0.217 117 A C 2.154 179.751 177.584 0.021 0.000 1.186 117 A CA 1.839 53.880 52.037 0.007 0.000 0.624 117 A CB -0.961 18.040 19.000 0.003 0.000 0.822 117 A HN 0.820 nan 8.150 nan 0.000 0.444 118 Y N 0.643 120.904 120.300 -0.064 0.000 2.114 118 Y HA -0.217 4.333 4.550 -0.000 0.000 0.282 118 Y C 1.902 177.784 175.900 -0.030 0.000 1.165 118 Y CA 1.958 60.026 58.100 -0.054 0.000 1.148 118 Y CB -0.503 37.917 38.460 -0.066 0.000 0.972 118 Y HN 0.213 nan 8.280 nan 0.000 0.504 119 L N -0.035 121.035 121.223 -0.255 0.000 2.131 119 L HA -0.252 4.088 4.340 -0.000 0.000 0.210 119 L C 2.552 179.290 176.870 -0.220 0.000 1.092 119 L CA 1.574 56.224 54.840 -0.317 0.000 0.759 119 L CB -0.576 41.423 42.059 -0.099 0.000 0.903 119 L HN 0.347 nan 8.230 nan 0.000 0.435 120 Q N -0.716 119.006 119.800 -0.130 0.000 2.046 120 Q HA -0.159 4.181 4.340 -0.000 0.000 0.200 120 Q C 2.441 178.382 176.000 -0.097 0.000 0.975 120 Q CA 1.762 57.515 55.803 -0.084 0.000 0.836 120 Q CB -0.112 28.599 28.738 -0.045 0.000 0.896 120 Q HN 0.411 nan 8.270 nan 0.000 0.428 121 S N 1.198 116.831 115.700 -0.111 0.000 2.359 121 S HA -0.232 4.238 4.470 -0.000 0.000 0.222 121 S C 1.824 176.352 174.600 -0.119 0.000 1.038 121 S CA 1.539 59.684 58.200 -0.092 0.000 1.051 121 S CB -0.299 62.860 63.200 -0.070 0.000 0.944 121 S HN 0.280 nan 8.310 nan 0.000 0.433 122 K N 1.146 121.404 120.400 -0.237 0.000 2.113 122 K HA -0.166 4.154 4.320 -0.000 0.000 0.208 122 K C 2.119 178.649 176.600 -0.116 0.000 1.047 122 K CA 1.297 57.451 56.287 -0.222 0.000 0.928 122 K CB -0.323 31.922 32.500 -0.425 0.000 0.716 122 K HN 0.340 nan 8.250 nan 0.000 0.446 123 A N 0.698 123.453 122.820 -0.108 0.000 1.872 123 A HA -0.038 4.282 4.320 -0.000 0.000 0.214 123 A C 2.310 179.883 177.584 -0.018 0.000 1.187 123 A CA 1.622 53.627 52.037 -0.055 0.000 0.614 123 A CB -0.815 18.154 19.000 -0.052 0.000 0.826 123 A HN 0.450 nan 8.150 nan 0.000 0.442 124 A N -0.335 122.474 122.820 -0.018 0.000 1.865 124 A HA -0.074 4.246 4.320 -0.000 0.000 0.217 124 A C 2.229 179.842 177.584 0.048 0.000 1.191 124 A CA 1.999 54.043 52.037 0.012 0.000 0.623 124 A CB -1.159 17.842 19.000 0.003 0.000 0.826 124 A HN 0.442 nan 8.150 nan 0.000 0.444 125 V N 0.172 120.111 119.914 0.041 0.000 2.324 125 V HA -0.276 3.844 4.120 -0.000 0.000 0.250 125 V C 2.634 178.822 176.094 0.156 0.000 1.060 125 V CA 2.536 64.899 62.300 0.104 0.000 1.042 125 V CB -0.797 31.061 31.823 0.058 0.000 0.650 125 V HN 0.729 nan 8.190 nan 0.000 0.450 126 E N 0.153 120.400 120.200 0.078 0.000 2.153 126 E HA -0.243 4.107 4.350 -0.000 0.000 0.194 126 E C 2.115 178.745 176.600 0.049 0.000 0.988 126 E CA 1.463 57.898 56.400 0.059 0.000 0.811 126 E CB -0.280 29.434 29.700 0.023 0.000 0.746 126 E HN 0.597 nan 8.360 nan 0.000 0.466 127 Q N -0.228 119.604 119.800 0.053 0.000 2.123 127 Q HA 0.106 4.446 4.340 -0.000 0.000 0.199 127 Q C 1.913 177.948 176.000 0.059 0.000 0.966 127 Q CA 1.709 57.541 55.803 0.048 0.000 0.845 127 Q CB -0.529 28.234 28.738 0.042 0.000 0.907 127 Q HN 0.291 nan 8.270 nan 0.000 0.439 128 A N 0.706 123.592 122.820 0.110 0.000 1.877 128 A HA -0.221 4.099 4.320 -0.000 0.000 0.216 128 A C 2.159 179.744 177.584 0.002 0.000 1.186 128 A CA 1.710 53.841 52.037 0.157 0.000 0.620 128 A CB -0.703 18.497 19.000 0.335 0.000 0.822 128 A HN 0.429 nan 8.150 nan 0.000 0.443 129 R N -0.237 120.226 120.500 -0.063 0.000 2.094 129 R HA -0.152 4.188 4.340 -0.000 0.000 0.239 129 R C 1.956 178.111 176.300 -0.240 0.000 1.137 129 R CA 2.054 57.925 56.100 -0.382 0.000 0.943 129 R CB -0.410 29.791 30.300 -0.166 0.000 0.850 129 R HN 0.475 nan 8.270 nan 0.000 0.433 130 I N 1.671 122.182 120.570 -0.098 0.000 2.208 130 I HA -0.298 3.872 4.170 -0.000 0.000 0.245 130 I C 1.813 177.943 176.117 0.021 0.000 1.097 130 I CA 1.443 62.717 61.300 -0.044 0.000 1.363 130 I CB -1.367 36.677 38.000 0.073 0.000 1.051 130 I HN 0.325 nan 8.210 nan 0.000 0.413 131 N N 1.139 119.823 118.700 -0.026 0.000 2.084 131 N HA -0.138 4.602 4.740 -0.000 0.000 0.190 131 N C 2.106 177.439 175.510 -0.295 0.000 1.030 131 N CA 0.918 53.876 53.050 -0.153 0.000 0.849 131 N CB -0.478 37.867 38.487 -0.235 0.000 1.012 131 N HN 0.319 nan 8.380 nan 0.000 0.423 132 L N 1.323 122.407 121.223 -0.231 0.000 1.990 132 L HA -0.212 4.128 4.340 -0.000 0.000 0.213 132 L C 2.736 179.503 176.870 -0.172 0.000 1.072 132 L CA 1.347 56.076 54.840 -0.186 0.000 0.755 132 L CB -0.189 41.726 42.059 -0.240 0.000 0.889 132 L HN 0.180 nan 8.230 nan 0.000 0.432 133 R N -1.027 119.347 120.500 -0.211 0.000 2.096 133 R HA -0.251 4.089 4.340 -0.000 0.000 0.240 133 R C 2.176 178.356 176.300 -0.199 0.000 1.139 133 R CA 2.149 58.109 56.100 -0.232 0.000 0.952 133 R CB -0.507 29.593 30.300 -0.334 0.000 0.854 133 R HN 0.394 nan 8.270 nan 0.000 0.436 134 Y N -0.386 119.815 120.300 -0.165 0.000 2.574 134 Y HA -0.127 4.423 4.550 -0.000 0.000 0.294 134 Y C 2.393 178.223 175.900 -0.116 0.000 1.142 134 Y CA 1.127 59.146 58.100 -0.136 0.000 1.314 134 Y CB -0.004 38.359 38.460 -0.161 0.000 0.991 134 Y HN 0.119 nan 8.280 nan 0.000 0.555 135 T N 0.078 114.629 114.554 -0.005 0.000 2.897 135 T HA -0.117 4.233 4.350 -0.000 0.000 0.271 135 T C 0.659 175.399 174.700 0.067 0.000 1.084 135 T CA 1.042 63.155 62.100 0.022 0.000 1.123 135 T CB -0.161 68.724 68.868 0.028 0.000 0.865 135 T HN 0.132 nan 8.240 nan 0.000 0.496 136 K N 2.216 122.644 120.400 0.047 0.000 2.354 136 K HA 0.345 4.665 4.320 -0.000 0.000 0.257 136 K C -0.961 175.689 176.600 0.083 0.000 1.062 136 K CA -0.323 56.003 56.287 0.064 0.000 0.971 136 K CB 1.828 34.343 32.500 0.024 0.000 1.305 136 K HN -0.016 nan 8.250 nan 0.000 0.449 137 V N 5.762 125.764 119.914 0.148 0.000 2.409 137 V HA 0.020 4.140 4.120 -0.000 0.000 0.270 137 V C 0.700 176.878 176.094 0.139 0.000 1.019 137 V CA 0.144 62.547 62.300 0.172 0.000 1.066 137 V CB -0.537 31.459 31.823 0.288 0.000 1.021 137 V HN 0.561 nan 8.190 nan 0.000 0.476 138 L N 3.487 124.755 121.223 0.076 0.000 2.469 138 L HA 0.464 4.804 4.340 -0.000 0.000 0.253 138 L C 0.744 177.627 176.870 0.022 0.000 1.143 138 L CA -0.165 54.695 54.840 0.034 0.000 0.804 138 L CB 1.180 43.241 42.059 0.003 0.000 1.214 138 L HN 0.580 nan 8.230 nan 0.000 0.476 139 S N 1.229 116.921 115.700 -0.014 0.000 2.422 139 S HA 0.301 4.771 4.470 -0.000 0.000 0.298 139 S C -1.340 173.247 174.600 -0.022 0.000 1.118 139 S CA -1.605 56.573 58.200 -0.035 0.000 1.083 139 S CB 1.068 64.220 63.200 -0.079 0.000 0.971 139 S HN 0.405 nan 8.310 nan 0.000 0.478 140 P HA -0.008 nan 4.420 nan 0.000 0.218 140 P C 0.202 177.497 177.300 -0.009 0.000 1.149 140 P CA 0.746 63.843 63.100 -0.006 0.000 0.817 140 P CB 0.195 31.895 31.700 0.001 0.000 0.785 141 I N -1.366 119.195 120.570 -0.014 0.000 3.170 141 I HA 0.277 4.447 4.170 -0.000 0.000 0.312 141 I C 0.013 176.121 176.117 -0.015 0.000 1.085 141 I CA -1.248 60.048 61.300 -0.007 0.000 0.999 141 I CB 1.997 39.997 38.000 0.000 0.000 1.233 141 I HN -0.310 nan 8.210 nan 0.000 0.467 142 S N 0.931 116.629 115.700 -0.004 0.000 2.437 142 S HA 0.880 5.350 4.470 -0.000 0.000 0.305 142 S C -0.043 174.554 174.600 -0.005 0.000 1.109 142 S CA -0.132 58.061 58.200 -0.011 0.000 1.099 142 S CB 1.192 64.388 63.200 -0.005 0.000 1.004 142 S HN 0.966 nan 8.310 nan 0.000 0.475 143 G N 2.123 110.911 108.800 -0.020 0.000 2.393 143 G HA2 0.363 4.323 3.960 -0.000 0.000 0.264 143 G HA3 0.363 4.323 3.960 -0.000 0.000 0.264 143 G C -1.698 173.184 174.900 -0.029 0.000 1.221 143 G CA -0.895 44.196 45.100 -0.014 0.000 0.912 143 G HN 0.579 nan 8.290 nan 0.000 0.483 144 R N 0.574 121.061 120.500 -0.022 0.000 2.239 144 R HA 0.505 4.845 4.340 -0.000 0.000 0.332 144 R C -0.322 175.955 176.300 -0.038 0.000 0.988 144 R CA -0.593 55.493 56.100 -0.024 0.000 0.859 144 R CB 0.082 30.378 30.300 -0.006 0.000 1.148 144 R HN 0.428 nan 8.270 nan 0.000 0.482 145 I N 2.712 123.234 120.570 -0.080 0.000 2.634 145 I HA 0.340 4.510 4.170 -0.000 0.000 0.284 145 I C 1.096 177.212 176.117 -0.001 0.000 1.124 145 I CA -0.145 61.083 61.300 -0.119 0.000 1.417 145 I CB 0.940 38.713 38.000 -0.380 0.000 1.396 145 I HN 0.602 nan 8.210 nan 0.000 0.571 146 G N 4.482 113.306 108.800 0.041 0.000 3.134 146 G HA2 0.461 4.421 3.960 -0.000 0.000 0.158 146 G HA3 0.461 4.421 3.960 -0.000 0.000 0.158 146 G C -0.063 174.937 174.900 0.167 0.000 1.334 146 G CA -1.020 44.132 45.100 0.088 0.000 1.001 146 G HN 0.564 nan 8.290 nan 0.000 0.600 147 R N -0.365 120.217 120.500 0.136 0.000 2.784 147 R HA 0.363 4.703 4.340 -0.000 0.000 0.266 147 R C -0.064 176.373 176.300 0.228 0.000 1.044 147 R CA 0.176 56.368 56.100 0.153 0.000 1.151 147 R CB 0.705 31.063 30.300 0.096 0.000 1.037 147 R HN 0.336 nan 8.270 nan 0.000 0.478 148 S N 0.686 116.527 115.700 0.235 0.000 2.420 148 S HA 0.310 4.780 4.470 -0.000 0.000 0.313 148 S C 0.790 175.503 174.600 0.189 0.000 1.079 148 S CA -0.560 57.835 58.200 0.325 0.000 1.104 148 S CB 1.303 64.698 63.200 0.325 0.000 0.969 148 S HN 0.680 nan 8.310 nan 0.000 0.471 149 A N 4.587 127.501 122.820 0.158 0.000 2.248 149 A HA 0.262 4.582 4.320 -0.000 0.000 0.210 149 A C 0.574 178.196 177.584 0.063 0.000 1.174 149 A CA 0.460 52.549 52.037 0.088 0.000 0.750 149 A CB -0.081 18.958 19.000 0.064 0.000 0.780 149 A HN 0.670 nan 8.150 nan 0.000 0.478 150 V N 0.838 120.801 119.914 0.081 0.000 2.540 150 V HA 0.381 4.501 4.120 -0.000 0.000 0.302 150 V C 0.547 176.680 176.094 0.064 0.000 1.035 150 V CA -0.172 62.146 62.300 0.031 0.000 0.873 150 V CB 1.856 33.641 31.823 -0.064 0.000 0.992 150 V HN 0.509 nan 8.190 nan 0.000 0.428 151 T N 2.022 116.598 114.554 0.036 0.000 2.816 151 T HA 0.483 4.833 4.350 -0.000 0.000 0.282 151 T C 0.063 174.788 174.700 0.042 0.000 0.993 151 T CA -0.716 61.407 62.100 0.037 0.000 0.994 151 T CB 0.913 69.792 68.868 0.019 0.000 1.025 151 T HN 0.669 nan 8.240 nan 0.000 0.529 152 E N -0.077 120.146 120.200 0.039 0.000 2.392 152 E HA 0.398 4.748 4.350 -0.000 0.000 0.256 152 E C 1.364 177.981 176.600 0.027 0.000 1.145 152 E CA -0.073 56.355 56.400 0.046 0.000 0.929 152 E CB -0.054 29.664 29.700 0.030 0.000 0.998 152 E HN 1.066 nan 8.360 nan 0.000 0.442 153 G N 0.408 109.225 108.800 0.028 0.000 2.270 153 G HA2 -0.390 3.570 3.960 -0.000 0.000 0.268 153 G HA3 -0.390 3.570 3.960 -0.000 0.000 0.268 153 G C 0.523 175.429 174.900 0.010 0.000 0.982 153 G CA 0.402 45.512 45.100 0.017 0.000 0.628 153 G HN 0.849 nan 8.290 nan 0.000 0.544 154 A N -0.334 122.490 122.820 0.007 0.000 2.406 154 A HA 0.637 4.957 4.320 -0.000 0.000 0.243 154 A C 0.382 177.961 177.584 -0.009 0.000 1.082 154 A CA 0.506 52.541 52.037 -0.004 0.000 0.786 154 A CB 0.557 19.551 19.000 -0.010 0.000 1.029 154 A HN 1.491 nan 8.150 nan 0.000 0.495 155 L N 1.881 123.097 121.223 -0.011 0.000 2.312 155 L HA 0.628 4.968 4.340 -0.000 0.000 0.281 155 L C -0.357 176.500 176.870 -0.021 0.000 1.070 155 L CA 0.091 54.925 54.840 -0.011 0.000 0.805 155 L CB 1.378 43.432 42.059 -0.008 0.000 1.174 155 L HN 0.449 nan 8.230 nan 0.000 0.434 156 V N 4.253 124.155 119.914 -0.019 0.000 2.656 156 V HA 0.672 4.792 4.120 -0.000 0.000 0.307 156 V C -0.572 175.511 176.094 -0.019 0.000 1.051 156 V CA -0.196 62.083 62.300 -0.034 0.000 0.893 156 V CB 2.541 34.326 31.823 -0.063 0.000 0.999 156 V HN 0.943 nan 8.190 nan 0.000 0.426 157 T N 5.282 119.819 114.554 -0.028 0.000 2.848 157 T HA 0.331 4.681 4.350 -0.000 0.000 0.285 157 T C -0.224 174.452 174.700 -0.040 0.000 0.995 157 T CA -0.428 61.658 62.100 -0.024 0.000 0.970 157 T CB 1.019 69.875 68.868 -0.020 0.000 0.976 157 T HN 0.780 nan 8.240 nan 0.000 0.441 158 N N 1.405 120.075 118.700 -0.049 0.000 2.411 158 N HA 0.253 4.993 4.740 -0.000 0.000 0.261 158 N C 1.331 176.802 175.510 -0.066 0.000 1.248 158 N CA 1.108 54.110 53.050 -0.081 0.000 0.885 158 N CB 0.071 38.493 38.487 -0.108 0.000 1.062 158 N HN 0.987 nan 8.380 nan 0.000 0.471 159 G N 2.115 110.875 108.800 -0.066 0.000 2.234 159 G HA2 -0.323 3.637 3.960 -0.000 0.000 0.235 159 G HA3 -0.323 3.637 3.960 -0.000 0.000 0.235 159 G C -0.006 174.872 174.900 -0.038 0.000 0.997 159 G CA 0.332 45.402 45.100 -0.050 0.000 0.623 159 G HN 0.843 nan 8.290 nan 0.000 0.514 160 Q N 0.411 120.188 119.800 -0.037 0.000 2.342 160 Q HA 0.484 4.824 4.340 -0.000 0.000 0.330 160 Q C 1.641 177.625 176.000 -0.025 0.000 1.117 160 Q CA 0.923 56.708 55.803 -0.030 0.000 1.010 160 Q CB 0.662 29.381 28.738 -0.032 0.000 1.204 160 Q HN 1.135 nan 8.270 nan 0.000 0.400 161 A N 4.149 126.957 122.820 -0.020 0.000 1.851 161 A HA -0.165 4.155 4.320 -0.000 0.000 0.216 161 A C 0.637 178.213 177.584 -0.014 0.000 1.195 161 A CA 1.417 53.445 52.037 -0.015 0.000 0.622 161 A CB -0.508 18.485 19.000 -0.012 0.000 0.831 161 A HN 0.895 nan 8.150 nan 0.000 0.444 162 N N 0.186 118.878 118.700 -0.013 0.000 2.525 162 N HA 0.442 5.182 4.740 -0.000 0.000 0.271 162 N C -0.200 175.303 175.510 -0.011 0.000 1.194 162 N CA 0.627 53.672 53.050 -0.009 0.000 0.964 162 N CB 0.894 39.378 38.487 -0.005 0.000 1.126 162 N HN 0.427 nan 8.380 nan 0.000 0.452 163 A N 1.501 124.321 122.820 -0.002 0.000 2.316 163 A HA 0.278 4.598 4.320 -0.000 0.000 0.284 163 A C 1.284 178.874 177.584 0.010 0.000 1.115 163 A CA -0.426 51.613 52.037 0.002 0.000 0.812 163 A CB 0.385 19.393 19.000 0.013 0.000 1.064 163 A HN 0.768 nan 8.150 nan 0.000 0.489 164 M N 0.865 120.466 119.600 0.001 0.000 2.254 164 M HA 0.129 4.609 4.480 -0.000 0.000 0.265 164 M C 0.757 177.144 176.300 0.146 0.000 1.066 164 M CA 1.935 57.238 55.300 0.005 0.000 1.123 164 M CB -0.085 32.422 32.600 -0.155 0.000 1.388 164 M HN 0.905 nan 8.290 nan 0.000 0.425 165 A N -1.190 121.709 122.820 0.131 0.000 2.549 165 A HA 0.567 4.887 4.320 -0.000 0.000 0.291 165 A C -1.027 176.587 177.584 0.051 0.000 1.034 165 A CA -0.897 51.219 52.037 0.132 0.000 0.655 165 A CB 0.769 19.896 19.000 0.213 0.000 1.299 165 A HN 0.039 nan 8.150 nan 0.000 0.427 166 T N 1.157 115.727 114.554 0.025 0.000 2.815 166 T HA 0.549 4.899 4.350 -0.000 0.000 0.289 166 T C -0.609 174.073 174.700 -0.030 0.000 1.000 166 T CA -0.384 61.716 62.100 0.000 0.000 0.958 166 T CB 1.199 70.075 68.868 0.013 0.000 0.944 166 T HN 0.779 nan 8.240 nan 0.000 0.442 167 V N 4.502 124.388 119.914 -0.047 0.000 2.465 167 V HA 0.369 4.489 4.120 -0.000 0.000 0.279 167 V C 0.014 176.095 176.094 -0.022 0.000 1.045 167 V CA -0.472 61.792 62.300 -0.060 0.000 0.938 167 V CB 1.198 32.975 31.823 -0.077 0.000 0.986 167 V HN 0.809 nan 8.190 nan 0.000 0.467 168 Q N 3.558 123.351 119.800 -0.012 0.000 2.310 168 Q HA 0.351 4.691 4.340 -0.000 0.000 0.270 168 Q C -0.699 175.314 176.000 0.022 0.000 1.025 168 Q CA -0.450 55.361 55.803 0.013 0.000 0.772 168 Q CB 2.697 31.446 28.738 0.018 0.000 1.253 168 Q HN 0.773 nan 8.270 nan 0.000 0.450 169 Q N 4.092 123.921 119.800 0.048 0.000 2.323 169 Q HA 0.162 4.502 4.340 -0.000 0.000 0.257 169 Q C -0.471 175.568 176.000 0.064 0.000 1.022 169 Q CA 0.120 55.958 55.803 0.058 0.000 0.919 169 Q CB 0.415 29.219 28.738 0.110 0.000 1.220 169 Q HN 0.744 nan 8.270 nan 0.000 0.427 170 L N 3.316 124.545 121.223 0.011 0.000 2.728 170 L HA 0.161 4.501 4.340 -0.000 0.000 0.238 170 L C 1.140 177.971 176.870 -0.066 0.000 1.143 170 L CA -0.372 54.463 54.840 -0.009 0.000 0.937 170 L CB 0.124 42.179 42.059 -0.005 0.000 1.225 170 L HN 0.683 nan 8.230 nan 0.000 0.507 171 D N 1.894 122.228 120.400 -0.111 0.000 1.966 171 D HA -0.001 4.639 4.640 -0.000 0.000 0.256 171 D C -1.719 174.421 176.300 -0.267 0.000 0.991 171 D CA 0.199 54.109 54.000 -0.149 0.000 0.928 171 D CB -0.700 40.011 40.800 -0.149 0.000 1.166 171 D HN -0.035 nan 8.370 nan 0.000 0.469 172 P HA 0.055 nan 4.420 nan 0.000 0.261 172 P C -0.405 176.548 177.300 -0.578 0.000 1.183 172 P CA 0.575 63.276 63.100 -0.666 0.000 0.761 172 P CB 0.349 31.322 31.700 -1.211 0.000 0.785 173 I N 3.821 124.245 120.570 -0.242 0.000 2.569 173 I HA 0.354 4.524 4.170 -0.000 0.000 0.296 173 I C -0.389 175.755 176.117 0.044 0.000 1.028 173 I CA -1.505 59.748 61.300 -0.079 0.000 1.082 173 I CB 1.575 39.550 38.000 -0.043 0.000 1.264 173 I HN 0.235 nan 8.210 nan 0.000 0.429 174 Y N 4.965 125.390 120.300 0.208 0.000 2.326 174 Y HA 0.488 5.038 4.550 -0.000 0.000 0.324 174 Y C -0.135 175.819 175.900 0.091 0.000 1.291 174 Y CA -0.667 57.532 58.100 0.165 0.000 1.348 174 Y CB 1.585 40.111 38.460 0.110 0.000 1.294 174 Y HN 0.158 nan 8.280 nan 0.000 0.525 175 V N 2.280 122.375 119.914 0.302 0.000 2.462 175 V HA 0.127 4.247 4.120 -0.000 0.000 0.288 175 V C -1.337 174.805 176.094 0.081 0.000 1.020 175 V CA -1.002 61.383 62.300 0.142 0.000 0.857 175 V CB 1.255 33.178 31.823 0.167 0.000 1.013 175 V HN 0.668 nan 8.190 nan 0.000 0.431 176 D N 3.626 124.029 120.400 0.005 0.000 2.339 176 D HA 0.397 5.037 4.640 -0.000 0.000 0.256 176 D C -0.154 176.123 176.300 -0.038 0.000 1.214 176 D CA 0.318 54.292 54.000 -0.043 0.000 0.877 176 D CB 1.679 42.433 40.800 -0.076 0.000 1.111 176 D HN 0.272 nan 8.370 nan 0.000 0.478 177 V N 2.667 122.568 119.914 -0.021 0.000 2.513 177 V HA 0.452 4.572 4.120 -0.000 0.000 0.299 177 V C 0.429 176.523 176.094 -0.001 0.000 1.035 177 V CA -0.603 61.696 62.300 -0.002 0.000 0.889 177 V CB 2.069 33.904 31.823 0.020 0.000 0.988 177 V HN 0.450 nan 8.190 nan 0.000 0.440 178 T N 4.994 119.553 114.554 0.009 0.000 2.809 178 T HA 0.475 4.825 4.350 -0.000 0.000 0.296 178 T C -0.585 174.135 174.700 0.033 0.000 1.015 178 T CA -0.484 61.624 62.100 0.013 0.000 0.954 178 T CB 0.955 69.824 68.868 0.002 0.000 0.950 178 T HN 0.562 nan 8.240 nan 0.000 0.450 179 Q N 2.691 122.515 119.800 0.039 0.000 2.387 179 Q HA 0.450 4.790 4.340 -0.000 0.000 0.273 179 Q C -2.701 173.321 176.000 0.038 0.000 1.089 179 Q CA -2.646 53.185 55.803 0.048 0.000 0.824 179 Q CB 2.015 30.794 28.738 0.068 0.000 1.367 179 Q HN 0.296 nan 8.270 nan 0.000 0.443 180 P HA 0.035 nan 4.420 nan 0.000 0.271 180 P C 0.726 178.041 177.300 0.025 0.000 1.220 180 P CA 0.311 63.426 63.100 0.025 0.000 0.768 180 P CB 0.762 32.476 31.700 0.023 0.000 0.848 181 S N 2.336 118.047 115.700 0.019 0.000 2.422 181 S HA -0.248 4.222 4.470 -0.000 0.000 0.241 181 S C 1.689 176.297 174.600 0.014 0.000 1.076 181 S CA 2.494 60.704 58.200 0.017 0.000 1.066 181 S CB -0.821 62.386 63.200 0.010 0.000 0.890 181 S HN 0.536 nan 8.310 nan 0.000 0.465 182 T N 1.768 116.329 114.554 0.012 0.000 2.643 182 T HA -0.054 4.296 4.350 -0.000 0.000 0.264 182 T C 2.096 176.800 174.700 0.008 0.000 1.045 182 T CA 1.552 63.656 62.100 0.007 0.000 1.155 182 T CB -0.928 67.944 68.868 0.007 0.000 0.863 182 T HN 0.587 nan 8.240 nan 0.000 0.420 183 A N 1.999 124.831 122.820 0.019 0.000 1.917 183 A HA -0.088 4.232 4.320 -0.000 0.000 0.219 183 A C 2.288 179.891 177.584 0.031 0.000 1.182 183 A CA 1.342 53.396 52.037 0.027 0.000 0.633 183 A CB -0.990 18.036 19.000 0.043 0.000 0.819 183 A HN 0.445 nan 8.150 nan 0.000 0.448 184 L N -0.553 120.695 121.223 0.042 0.000 2.079 184 L HA -0.152 4.188 4.340 -0.000 0.000 0.210 184 L C 2.273 179.131 176.870 -0.020 0.000 1.081 184 L CA 1.864 56.738 54.840 0.057 0.000 0.752 184 L CB -0.724 41.377 42.059 0.070 0.000 0.896 184 L HN 0.482 nan 8.230 nan 0.000 0.433 185 L N -0.699 120.507 121.223 -0.029 0.000 2.044 185 L HA -0.169 4.171 4.340 -0.000 0.000 0.205 185 L C 2.848 179.667 176.870 -0.086 0.000 1.075 185 L CA 0.762 55.565 54.840 -0.061 0.000 0.747 185 L CB -0.633 41.404 42.059 -0.037 0.000 0.903 185 L HN 0.268 nan 8.230 nan 0.000 0.435 186 R N 1.036 121.505 120.500 -0.053 0.000 2.112 186 R HA -0.217 4.123 4.340 -0.000 0.000 0.242 186 R C 2.119 178.368 176.300 -0.085 0.000 1.137 186 R CA 1.946 58.016 56.100 -0.049 0.000 0.944 186 R CB -0.822 29.467 30.300 -0.018 0.000 0.857 186 R HN 0.365 nan 8.270 nan 0.000 0.435 187 L N 0.241 121.406 121.223 -0.096 0.000 2.093 187 L HA -0.108 4.232 4.340 -0.000 0.000 0.208 187 L C 2.848 179.458 176.870 -0.434 0.000 1.085 187 L CA 1.089 55.832 54.840 -0.162 0.000 0.755 187 L CB -0.499 41.551 42.059 -0.015 0.000 0.904 187 L HN 0.150 nan 8.230 nan 0.000 0.435 188 R N 0.347 120.555 120.500 -0.486 0.000 2.127 188 R HA -0.142 4.198 4.340 -0.000 0.000 0.238 188 R C 2.406 178.518 176.300 -0.314 0.000 1.134 188 R CA 1.260 57.030 56.100 -0.550 0.000 0.975 188 R CB -0.278 29.820 30.300 -0.338 0.000 0.865 188 R HN 0.440 nan 8.270 nan 0.000 0.447 189 R N 0.758 121.139 120.500 -0.199 0.000 2.064 189 R HA -0.098 4.242 4.340 -0.000 0.000 0.228 189 R C 2.227 178.461 176.300 -0.110 0.000 1.144 189 R CA 1.487 57.513 56.100 -0.122 0.000 0.932 189 R CB -0.317 29.934 30.300 -0.082 0.000 0.833 189 R HN 0.328 nan 8.270 nan 0.000 0.429 190 E N 1.210 121.349 120.200 -0.102 0.000 2.147 190 E HA -0.255 4.095 4.350 -0.000 0.000 0.199 190 E C 2.001 178.562 176.600 -0.065 0.000 1.005 190 E CA 1.118 57.480 56.400 -0.064 0.000 0.810 190 E CB -0.310 29.364 29.700 -0.043 0.000 0.736 190 E HN 0.234 nan 8.360 nan 0.000 0.460 191 L N 0.929 122.076 121.223 -0.126 0.000 2.046 191 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 191 L C 2.257 179.097 176.870 -0.050 0.000 1.077 191 L CA 2.225 57.015 54.840 -0.084 0.000 0.747 191 L CB -0.841 41.096 42.059 -0.203 0.000 0.896 191 L HN 0.107 nan 8.230 nan 0.000 0.432 192 A N -0.350 122.425 122.820 -0.074 0.000 1.930 192 A HA -0.107 4.213 4.320 -0.000 0.000 0.215 192 A C 2.084 179.651 177.584 -0.029 0.000 1.176 192 A CA 1.160 53.170 52.037 -0.045 0.000 0.632 192 A CB -0.636 18.332 19.000 -0.053 0.000 0.819 192 A HN 0.656 nan 8.150 nan 0.000 0.445 193 S N -0.708 114.972 115.700 -0.034 0.000 2.840 193 S HA 0.363 4.833 4.470 -0.000 0.000 0.235 193 S C 1.384 175.977 174.600 -0.012 0.000 0.968 193 S CA 0.858 59.045 58.200 -0.022 0.000 1.026 193 S CB -1.015 62.171 63.200 -0.024 0.000 0.788 193 S HN 1.776 nan 8.310 nan 0.000 0.487 194 G N 1.471 110.266 108.800 -0.008 0.000 2.230 194 G HA2 -0.450 3.510 3.960 -0.000 0.000 0.270 194 G HA3 -0.450 3.510 3.960 -0.000 0.000 0.270 194 G C 0.699 175.603 174.900 0.006 0.000 0.987 194 G CA 0.825 45.926 45.100 0.002 0.000 0.664 194 G HN 0.639 nan 8.290 nan 0.000 0.539 195 Q N -1.158 118.642 119.800 0.001 0.000 2.541 195 Q HA 0.258 4.598 4.340 -0.000 0.000 0.215 195 Q C 0.192 176.202 176.000 0.018 0.000 0.977 195 Q CA 0.437 56.243 55.803 0.006 0.000 0.934 195 Q CB -0.068 28.669 28.738 -0.002 0.000 0.988 195 Q HN 0.476 nan 8.270 nan 0.000 0.521 196 L N 0.258 121.496 121.223 0.025 0.000 2.381 196 L HA 0.287 4.627 4.340 -0.000 0.000 0.268 196 L C -0.746 176.156 176.870 0.053 0.000 0.997 196 L CA -0.479 54.392 54.840 0.051 0.000 0.818 196 L CB 2.130 44.234 42.059 0.076 0.000 1.310 196 L HN -0.059 nan 8.230 nan 0.000 0.416 197 E N 4.025 124.259 120.200 0.057 0.000 2.081 197 E HA 0.065 4.415 4.350 -0.000 0.000 0.270 197 E C -0.205 176.427 176.600 0.053 0.000 1.180 197 E CA -0.454 55.973 56.400 0.046 0.000 0.926 197 E CB 0.308 30.031 29.700 0.038 0.000 1.035 197 E HN 0.282 nan 8.360 nan 0.000 0.418 198 R N 2.038 122.567 120.500 0.048 0.000 2.740 198 R HA -0.052 4.288 4.340 -0.000 0.000 0.263 198 R C 0.229 176.550 176.300 0.035 0.000 0.997 198 R CA 0.898 57.029 56.100 0.051 0.000 1.108 198 R CB 0.765 31.087 30.300 0.037 0.000 0.969 198 R HN 0.674 nan 8.270 nan 0.000 0.431 199 A N 0.085 122.925 122.820 0.033 0.000 2.664 199 A HA 0.371 4.691 4.320 -0.000 0.000 0.222 199 A C 0.436 178.024 177.584 0.007 0.000 1.320 199 A CA 0.681 52.721 52.037 0.005 0.000 1.029 199 A CB 0.876 19.864 19.000 -0.021 0.000 1.318 199 A HN 0.838 nan 8.150 nan 0.000 0.589 200 G N -0.491 108.325 108.800 0.026 0.000 2.337 200 G HA2 0.338 4.298 3.960 -0.000 0.000 0.298 200 G HA3 0.338 4.298 3.960 -0.000 0.000 0.298 200 G C -2.206 172.722 174.900 0.047 0.000 1.335 200 G CA -0.610 44.506 45.100 0.027 0.000 0.875 200 G HN -0.012 nan 8.290 nan 0.000 0.579 201 D N 1.420 121.846 120.400 0.043 0.000 2.434 201 D HA 0.148 4.788 4.640 -0.000 0.000 0.252 201 D C 0.850 177.201 176.300 0.084 0.000 1.185 201 D CA 0.525 54.557 54.000 0.053 0.000 0.886 201 D CB 0.586 41.410 40.800 0.039 0.000 1.148 201 D HN 0.513 nan 8.370 nan 0.000 0.483 202 N N 0.034 118.807 118.700 0.123 0.000 2.800 202 N HA -0.201 4.539 4.740 -0.000 0.000 0.250 202 N C -0.831 174.873 175.510 0.323 0.000 1.078 202 N CA 1.083 54.269 53.050 0.226 0.000 0.804 202 N CB -0.691 37.895 38.487 0.166 0.000 1.135 202 N HN 0.597 nan 8.380 nan 0.000 0.565 203 A N -0.387 122.556 122.820 0.205 0.000 2.374 203 A HA 0.843 5.163 4.320 -0.000 0.000 0.305 203 A C -0.308 177.337 177.584 0.101 0.000 1.053 203 A CA 0.165 52.241 52.037 0.065 0.000 0.726 203 A CB 1.811 20.802 19.000 -0.015 0.000 1.229 203 A HN 0.364 nan 8.150 nan 0.000 0.431 204 A N 2.218 125.068 122.820 0.050 0.000 2.340 204 A HA 0.694 5.014 4.320 -0.000 0.000 0.331 204 A C -0.038 177.534 177.584 -0.020 0.000 1.140 204 A CA -0.684 51.410 52.037 0.096 0.000 0.801 204 A CB 0.633 19.784 19.000 0.251 0.000 1.234 204 A HN 0.775 nan 8.150 nan 0.000 0.469 205 K N 0.540 120.939 120.400 -0.002 0.000 2.382 205 K HA 0.445 4.765 4.320 -0.000 0.000 0.275 205 K C -0.763 175.823 176.600 -0.023 0.000 1.009 205 K CA 0.139 56.405 56.287 -0.034 0.000 0.970 205 K CB 0.748 33.243 32.500 -0.008 0.000 0.934 205 K HN 0.411 nan 8.250 nan 0.000 0.479 206 V N 1.033 120.912 119.914 -0.058 0.000 3.114 206 V HA 0.276 4.396 4.120 -0.000 0.000 0.308 206 V C -0.673 175.500 176.094 0.131 0.000 1.168 206 V CA -0.960 61.353 62.300 0.022 0.000 1.015 206 V CB 2.476 34.300 31.823 0.002 0.000 1.050 206 V HN 0.778 nan 8.190 nan 0.000 0.433 207 S N 1.846 117.692 115.700 0.243 0.000 2.621 207 S HA 0.826 5.296 4.470 -0.000 0.000 0.302 207 S C -1.064 173.762 174.600 0.378 0.000 1.093 207 S CA -0.471 57.932 58.200 0.338 0.000 1.017 207 S CB 1.841 65.157 63.200 0.194 0.000 1.077 207 S HN 0.537 nan 8.310 nan 0.000 0.517 208 L N 2.242 123.626 121.223 0.268 0.000 2.334 208 L HA 0.612 4.952 4.340 -0.000 0.000 0.276 208 L C -0.612 176.279 176.870 0.035 0.000 1.014 208 L CA -0.242 54.581 54.840 -0.028 0.000 0.815 208 L CB 1.347 43.013 42.059 -0.655 0.000 1.268 208 L HN 0.643 nan 8.230 nan 0.000 0.428 209 K N 5.759 126.182 120.400 0.038 0.000 2.572 209 K HA 0.464 4.784 4.320 -0.000 0.000 0.244 209 K C -1.153 175.484 176.600 0.062 0.000 0.965 209 K CA -0.562 55.771 56.287 0.077 0.000 0.943 209 K CB 0.652 33.222 32.500 0.117 0.000 1.154 209 K HN 0.675 nan 8.250 nan 0.000 0.447 210 L N 3.475 124.714 121.223 0.027 0.000 2.492 210 L HA -0.026 4.314 4.340 -0.000 0.000 0.280 210 L C 1.700 178.603 176.870 0.055 0.000 1.240 210 L CA 0.195 55.042 54.840 0.011 0.000 0.831 210 L CB 0.374 42.441 42.059 0.013 0.000 1.100 210 L HN 0.763 nan 8.230 nan 0.000 0.505 211 E N -0.462 119.767 120.200 0.048 0.000 2.463 211 E HA -0.235 4.115 4.350 -0.000 0.000 0.201 211 E C 0.874 177.504 176.600 0.049 0.000 1.045 211 E CA 0.906 57.346 56.400 0.066 0.000 0.872 211 E CB -0.078 29.653 29.700 0.051 0.000 0.797 211 E HN 0.724 nan 8.360 nan 0.000 0.538 212 D N 0.531 120.955 120.400 0.040 0.000 2.144 212 D HA -0.095 4.545 4.640 -0.000 0.000 0.200 212 D C 1.590 177.911 176.300 0.035 0.000 0.978 212 D CA 2.239 56.258 54.000 0.031 0.000 0.833 212 D CB 0.038 40.856 40.800 0.030 0.000 0.961 212 D HN 0.382 nan 8.370 nan 0.000 0.470 213 G N -0.748 108.081 108.800 0.048 0.000 2.391 213 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.204 213 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.204 213 G C 0.443 175.370 174.900 0.045 0.000 1.012 213 G CA 0.456 45.583 45.100 0.046 0.000 0.651 213 G HN 0.602 nan 8.290 nan 0.000 0.494 214 S N 1.024 116.749 115.700 0.043 0.000 2.580 214 S HA 0.505 4.975 4.470 -0.000 0.000 0.261 214 S C -0.045 174.590 174.600 0.059 0.000 1.366 214 S CA 0.127 58.354 58.200 0.044 0.000 0.996 214 S CB 1.129 64.355 63.200 0.043 0.000 0.902 214 S HN 0.404 nan 8.310 nan 0.000 0.566 215 Q N 1.083 120.919 119.800 0.060 0.000 2.368 215 Q HA 0.253 4.593 4.340 -0.000 0.000 0.263 215 Q C -1.215 174.848 176.000 0.105 0.000 1.009 215 Q CA -0.425 55.425 55.803 0.078 0.000 0.818 215 Q CB 1.266 30.038 28.738 0.057 0.000 1.239 215 Q HN 0.773 nan 8.270 nan 0.000 0.464 216 Y N 6.481 126.768 120.300 -0.022 0.000 2.729 216 Y HA -0.041 4.509 4.550 -0.000 0.000 0.331 216 Y C -1.170 174.735 175.900 0.009 0.000 1.208 216 Y CA -0.935 57.145 58.100 -0.033 0.000 1.521 216 Y CB 0.603 38.999 38.460 -0.106 0.000 1.233 216 Y HN 0.507 nan 8.280 nan 0.000 0.539 217 P HA -0.245 nan 4.420 nan 0.000 0.215 217 P C 0.131 177.292 177.300 -0.231 0.000 1.163 217 P CA 1.542 64.475 63.100 -0.278 0.000 0.894 217 P CB 0.248 31.757 31.700 -0.318 0.000 0.791 218 L N -0.192 120.774 121.223 -0.429 0.000 2.468 218 L HA 0.261 4.601 4.340 -0.000 0.000 0.254 218 L C 1.081 178.114 176.870 0.272 0.000 1.171 218 L CA -0.573 54.229 54.840 -0.063 0.000 0.809 218 L CB 0.133 42.177 42.059 -0.026 0.000 1.155 218 L HN 0.102 nan 8.230 nan 0.000 0.473 219 E N -0.598 119.749 120.200 0.244 0.000 2.416 219 E HA 0.798 5.148 4.350 -0.000 0.000 0.273 219 E C -0.850 175.763 176.600 0.023 0.000 0.935 219 E CA -0.957 55.606 56.400 0.272 0.000 0.784 219 E CB 2.302 32.090 29.700 0.147 0.000 1.301 219 E HN 0.622 nan 8.360 nan 0.000 0.454 220 G N 0.360 108.929 108.800 -0.386 0.000 2.788 220 G HA2 0.422 4.382 3.960 -0.000 0.000 0.293 220 G HA3 0.422 4.382 3.960 -0.000 0.000 0.293 220 G C -1.101 173.489 174.900 -0.516 0.000 1.392 220 G CA -1.205 43.566 45.100 -0.547 0.000 0.810 220 G HN 0.380 nan 8.290 nan 0.000 0.508 221 R N -0.754 119.521 120.500 -0.375 0.000 2.543 221 R HA 0.329 4.669 4.340 -0.000 0.000 0.277 221 R C -0.918 175.208 176.300 -0.291 0.000 1.074 221 R CA -0.402 55.545 56.100 -0.255 0.000 1.076 221 R CB 1.081 31.293 30.300 -0.147 0.000 0.993 221 R HN 0.244 nan 8.270 nan 0.000 0.459 222 L N 3.590 124.645 121.223 -0.280 0.000 2.408 222 L HA 0.230 4.570 4.340 -0.000 0.000 0.257 222 L C -0.596 175.959 176.870 -0.525 0.000 1.053 222 L CA -0.307 54.316 54.840 -0.362 0.000 0.922 222 L CB 0.877 42.700 42.059 -0.394 0.000 1.261 222 L HN 0.429 nan 8.230 nan 0.000 0.458 223 E N 2.848 122.862 120.200 -0.309 0.000 2.414 223 E HA -0.020 4.330 4.350 -0.000 0.000 0.263 223 E C 0.270 176.674 176.600 -0.327 0.000 1.000 223 E CA 0.533 56.796 56.400 -0.227 0.000 0.914 223 E CB 0.547 30.204 29.700 -0.070 0.000 0.948 223 E HN 0.567 nan 8.360 nan 0.000 0.444 224 F N 0.182 120.134 119.950 0.002 0.000 2.746 224 F HA -0.037 4.490 4.527 -0.000 0.000 0.297 224 F C 1.596 177.391 175.800 -0.008 0.000 1.113 224 F CA -0.202 57.797 58.000 -0.002 0.000 1.367 224 F CB 0.402 39.403 39.000 0.000 0.000 1.111 224 F HN 0.217 nan 8.300 nan 0.000 0.590 225 S N 1.701 117.481 115.700 0.132 0.000 2.537 225 S HA 0.034 4.504 4.470 -0.000 0.000 0.286 225 S C -0.047 174.574 174.600 0.035 0.000 1.299 225 S CA -0.883 57.360 58.200 0.071 0.000 1.067 225 S CB 0.267 63.489 63.200 0.037 0.000 0.864 225 S HN 0.367 nan 8.310 nan 0.000 0.494 226 E N 2.768 122.986 120.200 0.029 0.000 2.383 226 E HA 0.330 4.680 4.350 -0.000 0.000 0.264 226 E C 0.196 176.779 176.600 -0.027 0.000 1.050 226 E CA -0.763 55.641 56.400 0.005 0.000 0.896 226 E CB 0.814 30.520 29.700 0.010 0.000 0.982 226 E HN 0.300 nan 8.360 nan 0.000 0.424 227 V N 1.183 121.067 119.914 -0.049 0.000 3.212 227 V HA 0.158 4.278 4.120 -0.000 0.000 0.244 227 V C 0.259 176.315 176.094 -0.063 0.000 1.151 227 V CA 0.888 63.141 62.300 -0.078 0.000 1.119 227 V CB -0.175 31.570 31.823 -0.130 0.000 0.838 227 V HN 0.860 nan 8.190 nan 0.000 0.470 228 S N -0.912 114.759 115.700 -0.048 0.000 2.578 228 S HA 0.703 5.173 4.470 -0.000 0.000 0.272 228 S C -1.428 173.158 174.600 -0.025 0.000 1.145 228 S CA -0.631 57.545 58.200 -0.038 0.000 0.835 228 S CB 2.255 65.427 63.200 -0.047 0.000 1.104 228 S HN 0.033 nan 8.310 nan 0.000 0.458 229 V N 1.419 121.322 119.914 -0.019 0.000 2.569 229 V HA 0.446 4.566 4.120 -0.000 0.000 0.301 229 V C -1.167 174.920 176.094 -0.011 0.000 1.044 229 V CA -0.756 61.537 62.300 -0.011 0.000 0.874 229 V CB 1.833 33.652 31.823 -0.007 0.000 1.002 229 V HN 0.979 nan 8.190 nan 0.000 0.424 230 D N 3.912 124.306 120.400 -0.008 0.000 2.470 230 D HA 0.123 4.763 4.640 -0.000 0.000 0.226 230 D C 1.141 177.439 176.300 -0.004 0.000 1.196 230 D CA 0.067 54.063 54.000 -0.007 0.000 0.979 230 D CB 1.101 41.898 40.800 -0.005 0.000 1.059 230 D HN 0.644 nan 8.370 nan 0.000 0.515 231 E N 0.989 121.187 120.200 -0.005 0.000 2.273 231 E HA -0.165 4.185 4.350 -0.000 0.000 0.198 231 E C 1.932 178.531 176.600 -0.001 0.000 1.002 231 E CA 0.636 57.035 56.400 -0.003 0.000 0.828 231 E CB 0.145 29.843 29.700 -0.004 0.000 0.747 231 E HN 0.442 nan 8.360 nan 0.000 0.491 232 G N 0.020 108.819 108.800 -0.001 0.000 2.650 232 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.214 232 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.214 232 G C 1.297 176.198 174.900 0.002 0.000 1.136 232 G CA 0.820 45.920 45.100 0.000 0.000 0.789 232 G HN 0.167 nan 8.290 nan 0.000 0.536 233 T N -1.296 113.260 114.554 0.002 0.000 2.954 233 T HA 0.362 4.712 4.350 -0.000 0.000 0.252 233 T C 1.921 176.624 174.700 0.005 0.000 0.983 233 T CA 0.845 62.948 62.100 0.005 0.000 0.941 233 T CB 0.675 69.547 68.868 0.006 0.000 1.141 233 T HN 0.810 nan 8.240 nan 0.000 0.500 234 G N 2.473 111.275 108.800 0.003 0.000 2.267 234 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.257 234 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.257 234 G C 0.494 175.398 174.900 0.006 0.000 0.998 234 G CA 0.425 45.527 45.100 0.004 0.000 0.620 234 G HN 1.008 nan 8.290 nan 0.000 0.529 235 S N -0.053 115.651 115.700 0.007 0.000 2.562 235 S HA 0.610 5.080 4.470 -0.000 0.000 0.281 235 S C 0.402 175.007 174.600 0.007 0.000 1.333 235 S CA -0.001 58.205 58.200 0.010 0.000 1.052 235 S CB 2.229 65.436 63.200 0.012 0.000 0.884 235 S HN 1.143 nan 8.310 nan 0.000 0.506 236 V N 2.093 122.014 119.914 0.013 0.000 2.966 236 V HA 0.628 4.748 4.120 -0.000 0.000 0.317 236 V C 0.420 176.517 176.094 0.006 0.000 1.070 236 V CA -0.777 61.529 62.300 0.010 0.000 1.008 236 V CB 1.859 33.695 31.823 0.022 0.000 1.070 236 V HN 1.022 nan 8.190 nan 0.000 0.457 237 T N 3.848 118.397 114.554 -0.008 0.000 2.881 237 T HA 0.655 5.005 4.350 -0.000 0.000 0.291 237 T C -0.510 174.170 174.700 -0.034 0.000 0.990 237 T CA -0.173 61.913 62.100 -0.023 0.000 0.976 237 T CB 0.674 69.517 68.868 -0.042 0.000 0.970 237 T HN 0.623 nan 8.240 nan 0.000 0.438 238 I N 0.459 121.011 120.570 -0.031 0.000 2.910 238 I HA 0.765 4.935 4.170 -0.000 0.000 0.310 238 I C -0.482 175.588 176.117 -0.078 0.000 1.043 238 I CA -1.484 59.785 61.300 -0.051 0.000 1.053 238 I CB 2.039 40.024 38.000 -0.025 0.000 1.242 238 I HN 0.265 nan 8.210 nan 0.000 0.452 239 R N 2.234 122.671 120.500 -0.105 0.000 2.562 239 R HA 0.775 5.115 4.340 -0.000 0.000 0.298 239 R C -0.810 175.487 176.300 -0.006 0.000 0.961 239 R CA -0.768 55.288 56.100 -0.074 0.000 0.881 239 R CB 2.152 32.323 30.300 -0.215 0.000 1.159 239 R HN 0.873 nan 8.270 nan 0.000 0.450 240 A N 2.333 125.202 122.820 0.082 0.000 2.312 240 A HA 0.603 4.923 4.320 -0.000 0.000 0.328 240 A C -0.590 177.094 177.584 0.167 0.000 1.158 240 A CA -0.594 51.472 52.037 0.050 0.000 0.821 240 A CB 1.255 20.352 19.000 0.163 0.000 1.170 240 A HN 0.438 nan 8.150 nan 0.000 0.490 241 V N 2.516 122.405 119.914 -0.042 0.000 2.376 241 V HA 0.430 4.550 4.120 -0.000 0.000 0.287 241 V C -1.170 174.813 176.094 -0.184 0.000 1.015 241 V CA -0.150 62.160 62.300 0.018 0.000 0.834 241 V CB 0.387 32.236 31.823 0.044 0.000 1.001 241 V HN 0.704 nan 8.190 nan 0.000 0.428 242 F N 5.361 125.282 119.950 -0.048 0.000 2.470 242 F HA 0.671 5.198 4.527 -0.000 0.000 0.329 242 F C -2.228 173.540 175.800 -0.054 0.000 1.072 242 F CA -2.755 55.228 58.000 -0.029 0.000 0.989 242 F CB 1.655 40.624 39.000 -0.051 0.000 1.193 242 F HN 0.276 nan 8.300 nan 0.000 0.481 243 P HA 0.203 nan 4.420 nan 0.000 0.279 243 P C -0.921 176.487 177.300 0.181 0.000 1.239 243 P CA -0.278 62.876 63.100 0.090 0.000 0.789 243 P CB 0.645 32.388 31.700 0.073 0.000 0.933 244 N N 2.177 120.921 118.700 0.073 0.000 2.711 244 N HA 0.250 4.990 4.740 -0.000 0.000 0.263 244 N C -2.751 172.789 175.510 0.050 0.000 1.667 244 N CA -2.022 51.093 53.050 0.110 0.000 0.785 244 N CB 0.534 39.036 38.487 0.026 0.000 1.231 244 N HN 0.150 nan 8.380 nan 0.000 0.503 245 P HA 0.361 nan 4.420 nan 0.000 0.293 245 P C -0.246 177.071 177.300 0.028 0.000 1.304 245 P CA 0.063 63.170 63.100 0.013 0.000 0.767 245 P CB 0.845 32.544 31.700 -0.001 0.000 1.247 246 N N -1.429 117.278 118.700 0.013 0.000 2.946 246 N HA -0.251 4.489 4.740 -0.000 0.000 0.223 246 N C 0.455 175.981 175.510 0.027 0.000 0.850 246 N CA 1.403 54.464 53.050 0.018 0.000 1.057 246 N CB -2.177 36.321 38.487 0.019 0.000 1.020 246 N HN 0.702 nan 8.380 nan 0.000 0.616 247 N N 0.972 119.691 118.700 0.032 0.000 2.735 247 N HA -0.203 4.537 4.740 -0.000 0.000 0.248 247 N C 0.304 175.837 175.510 0.038 0.000 1.083 247 N CA 1.408 54.474 53.050 0.027 0.000 0.703 247 N CB -0.666 37.828 38.487 0.013 0.000 1.005 247 N HN 0.659 nan 8.380 nan 0.000 0.550 248 E N -0.348 119.897 120.200 0.075 0.000 2.152 248 E HA -0.004 4.346 4.350 -0.000 0.000 0.192 248 E C 0.568 177.194 176.600 0.043 0.000 0.983 248 E CA 0.624 57.075 56.400 0.086 0.000 0.818 248 E CB 0.209 30.012 29.700 0.172 0.000 0.758 248 E HN 0.441 nan 8.360 nan 0.000 0.467 249 L N 1.874 123.097 121.223 -0.001 0.000 2.312 249 L HA 0.371 4.711 4.340 -0.000 0.000 0.281 249 L C -0.262 176.572 176.870 -0.060 0.000 1.070 249 L CA -0.382 54.399 54.840 -0.099 0.000 0.805 249 L CB 0.884 42.791 42.059 -0.254 0.000 1.174 249 L HN -0.003 nan 8.230 nan 0.000 0.434 250 L N 3.611 124.802 121.223 -0.055 0.000 2.333 250 L HA 0.570 4.910 4.340 -0.000 0.000 0.263 250 L C -2.399 174.449 176.870 -0.037 0.000 1.014 250 L CA -2.136 52.686 54.840 -0.030 0.000 0.820 250 L CB 2.404 44.458 42.059 -0.009 0.000 1.352 250 L HN 0.300 nan 8.230 nan 0.000 0.421 251 P HA 0.153 nan 4.420 nan 0.000 0.268 251 P C 0.557 177.834 177.300 -0.039 0.000 1.205 251 P CA 0.625 63.709 63.100 -0.028 0.000 0.771 251 P CB 0.792 32.488 31.700 -0.007 0.000 0.858 252 G N 1.586 110.336 108.800 -0.083 0.000 2.213 252 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.226 252 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.226 252 G C 0.165 174.994 174.900 -0.118 0.000 0.992 252 G CA -0.373 44.662 45.100 -0.109 0.000 0.632 252 G HN 0.438 nan 8.290 nan 0.000 0.511 253 M N 0.690 120.246 119.600 -0.074 0.000 2.245 253 M HA 0.477 4.957 4.480 -0.000 0.000 0.344 253 M C -0.287 175.966 176.300 -0.078 0.000 1.170 253 M CA 0.208 55.516 55.300 0.013 0.000 1.135 253 M CB 0.225 32.805 32.600 -0.033 0.000 1.574 253 M HN 0.038 nan 8.290 nan 0.000 0.452 254 F N 3.111 123.003 119.950 -0.097 0.000 2.368 254 F HA 0.409 4.936 4.527 -0.000 0.000 0.362 254 F C 0.402 176.083 175.800 -0.198 0.000 1.137 254 F CA -0.778 57.141 58.000 -0.135 0.000 1.161 254 F CB 0.058 38.993 39.000 -0.109 0.000 1.265 254 F HN 0.320 nan 8.300 nan 0.000 0.530 255 V N 0.147 119.972 119.914 -0.149 0.000 3.240 255 V HA 0.656 4.776 4.120 -0.000 0.000 0.306 255 V C -0.822 175.035 176.094 -0.394 0.000 1.227 255 V CA -0.684 61.494 62.300 -0.205 0.000 1.047 255 V CB 2.274 33.989 31.823 -0.181 0.000 1.203 255 V HN 0.553 nan 8.190 nan 0.000 0.471 256 H N 0.193 119.259 119.070 -0.007 0.000 2.934 256 H HA 0.745 5.301 4.556 -0.000 0.000 0.340 256 H C -0.230 175.120 175.328 0.035 0.000 1.008 256 H CA 0.248 56.309 56.048 0.023 0.000 1.317 256 H CB 1.633 31.415 29.762 0.033 0.000 1.670 256 H HN 1.156 nan 8.280 nan 0.000 0.516 257 A N 3.215 126.149 122.820 0.190 0.000 2.302 257 A HA 0.502 4.822 4.320 -0.000 0.000 0.285 257 A C -0.184 177.506 177.584 0.177 0.000 1.105 257 A CA -0.502 51.660 52.037 0.208 0.000 0.816 257 A CB 0.759 19.880 19.000 0.202 0.000 1.067 257 A HN 0.718 nan 8.150 nan 0.000 0.489 258 Q N 0.669 120.571 119.800 0.169 0.000 2.337 258 Q HA 0.690 5.030 4.340 -0.000 0.000 0.270 258 Q C -1.161 174.902 176.000 0.105 0.000 1.043 258 Q CA -0.292 55.584 55.803 0.121 0.000 0.794 258 Q CB 2.374 31.176 28.738 0.107 0.000 1.281 258 Q HN 0.696 nan 8.270 nan 0.000 0.446 259 L N 0.000 121.276 121.223 0.089 0.000 2.949 259 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 259 L CA 0.000 54.891 54.840 0.085 0.000 0.813 259 L CB 0.000 42.122 42.059 0.105 0.000 0.961 259 L HN 0.000 nan 8.230 nan 0.000 0.502