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 2ep5_1_D DATA FIRST_RESID 3 DATA SEQUENCE DKIKVSLLGS TGMVGQKMVK MLAKHPYLEL VKVSASPSKI GKKYKDAVKW DATA SEQUENCE IEQGDIPEEV QDLPIVSTNY EDHKDVDVVL SALPNELAES IELELVKNGK DATA SEQUENCE IVVSNASPFR MDPDVPLINP EINWEHLELL KFQKERKGWK GILVKNPNCT DATA SEQUENCE AAIMSMPIKP LIEIATKSKI IITTLQAVSG AGYNGISFMA IEGNIIPYIK DATA SEQUENCE GEEDKIAKEL TKLNGKLENN QIIPANLDST VTSIRVPTRV GHMGVINIVT DATA SEQUENCE NERINIEEIK KTLKNFKSLP QQKNLPTAPK QPIIVRDEED RPQPIIDVNA DATA SEQUENCE ESGMAVTVGR IRHENNVLRL VVLGDNLVRG AAGITILTVE VMKELGYI 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 3 D HA 0.000 nan 4.640 nan 0.000 0.175 3 D C 0.000 176.335 176.300 0.058 0.000 2.045 3 D CA 0.000 54.000 54.000 0.000 0.000 0.868 3 D CB 0.000 40.779 40.800 -0.035 0.000 0.688 4 K N 2.483 122.931 120.400 0.079 0.000 2.469 4 K HA 0.290 4.612 4.320 0.004 0.000 0.274 4 K C 0.415 177.076 176.600 0.103 0.000 0.983 4 K CA 0.073 56.428 56.287 0.113 0.000 0.974 4 K CB 1.027 33.570 32.500 0.071 0.000 0.913 4 K HN 0.466 nan 8.250 nan 0.000 0.493 5 I N 3.032 123.678 120.570 0.126 0.000 2.439 5 I HA 0.149 4.321 4.170 0.004 0.000 0.283 5 I C -0.069 176.074 176.117 0.044 0.000 1.023 5 I CA -0.671 60.683 61.300 0.090 0.000 1.100 5 I CB 1.506 39.586 38.000 0.133 0.000 1.238 5 I HN 0.252 nan 8.210 nan 0.000 0.445 6 K N 5.828 126.244 120.400 0.027 0.000 2.297 6 K HA 0.485 4.808 4.320 0.004 0.000 0.286 6 K C -0.449 176.153 176.600 0.004 0.000 1.053 6 K CA -0.290 56.001 56.287 0.008 0.000 0.940 6 K CB 1.529 34.030 32.500 0.003 0.000 1.019 6 K HN 0.462 nan 8.250 nan 0.000 0.475 7 V N -0.726 119.183 119.914 -0.009 0.000 3.102 7 V HA 0.734 4.856 4.120 0.004 0.000 0.312 7 V C -0.534 175.565 176.094 0.007 0.000 1.135 7 V CA -0.809 61.489 62.300 -0.003 0.000 1.022 7 V CB 1.969 33.774 31.823 -0.029 0.000 1.056 7 V HN 0.819 nan 8.190 nan 0.000 0.436 8 S N 2.182 117.909 115.700 0.044 0.000 2.671 8 S HA 0.915 5.387 4.470 0.004 0.000 0.299 8 S C -1.121 173.519 174.600 0.066 0.000 1.116 8 S CA -0.783 57.466 58.200 0.082 0.000 0.912 8 S CB 1.797 65.137 63.200 0.233 0.000 1.130 8 S HN 1.699 nan 8.310 nan 0.000 0.501 9 L N 1.498 122.768 121.223 0.079 0.000 2.441 9 L HA 0.618 4.960 4.340 0.004 0.000 0.270 9 L C -1.867 175.050 176.870 0.078 0.000 0.973 9 L CA -0.670 54.203 54.840 0.055 0.000 0.842 9 L CB 1.339 43.419 42.059 0.035 0.000 1.239 9 L HN 0.726 nan 8.230 nan 0.000 0.406 10 L N 5.060 126.308 121.223 0.042 0.000 2.350 10 L HA 0.628 4.970 4.340 0.004 0.000 0.275 10 L C 1.286 178.186 176.870 0.049 0.000 1.099 10 L CA 0.650 55.513 54.840 0.038 0.000 0.808 10 L CB 1.065 43.112 42.059 -0.020 0.000 1.149 10 L HN 0.837 nan 8.230 nan 0.000 0.442 11 G N 1.686 110.523 108.800 0.063 0.000 2.246 11 G HA2 -0.303 3.660 3.960 0.004 0.000 0.273 11 G HA3 -0.303 3.660 3.960 0.004 0.000 0.273 11 G C 0.884 175.839 174.900 0.091 0.000 1.055 11 G CA 0.634 45.773 45.100 0.065 0.000 0.851 11 G HN 0.847 nan 8.290 nan 0.000 0.500 12 S N -1.987 113.794 115.700 0.136 0.000 2.603 12 S HA 0.082 4.555 4.470 0.004 0.000 0.229 12 S C 1.722 176.499 174.600 0.296 0.000 0.972 12 S CA 1.728 60.053 58.200 0.209 0.000 0.935 12 S CB 0.190 63.544 63.200 0.257 0.000 0.769 12 S HN 0.440 nan 8.310 nan 0.000 0.536 13 T N 1.029 115.687 114.554 0.174 0.000 3.037 13 T HA 0.349 4.702 4.350 0.004 0.000 0.251 13 T C 1.026 175.759 174.700 0.055 0.000 1.079 13 T CA 0.486 62.644 62.100 0.097 0.000 1.067 13 T CB -0.250 68.621 68.868 0.004 0.000 0.948 13 T HN 0.615 nan 8.240 nan 0.000 0.496 14 G N 0.196 109.028 108.800 0.055 0.000 2.588 14 G HA2 0.362 4.324 3.960 0.004 0.000 0.278 14 G HA3 0.362 4.324 3.960 0.004 0.000 0.278 14 G C 1.035 175.938 174.900 0.005 0.000 1.307 14 G CA -0.496 44.620 45.100 0.027 0.000 1.016 14 G HN 0.219 nan 8.290 nan 0.000 0.503 15 M N -0.774 118.824 119.600 -0.004 0.000 2.080 15 M HA -0.133 4.350 4.480 0.004 0.000 0.260 15 M C 2.682 178.963 176.300 -0.031 0.000 1.068 15 M CA 1.231 56.510 55.300 -0.035 0.000 1.109 15 M CB -0.552 32.057 32.600 0.015 0.000 1.342 15 M HN 0.279 nan 8.290 nan 0.000 0.405 16 V N 0.258 120.171 119.914 -0.002 0.000 2.343 16 V HA -0.178 3.945 4.120 0.004 0.000 0.247 16 V C 2.615 178.719 176.094 0.017 0.000 1.051 16 V CA 2.139 64.440 62.300 0.002 0.000 1.036 16 V CB -1.651 30.178 31.823 0.011 0.000 0.654 16 V HN 0.635 nan 8.190 nan 0.000 0.451 17 G N -0.823 108.001 108.800 0.039 0.000 2.446 17 G HA2 -0.297 3.666 3.960 0.004 0.000 0.217 17 G HA3 -0.297 3.666 3.960 0.004 0.000 0.217 17 G C 1.486 176.450 174.900 0.106 0.000 1.168 17 G CA 0.904 46.051 45.100 0.079 0.000 0.771 17 G HN 0.552 nan 8.290 nan 0.000 0.551 18 Q N -0.279 119.574 119.800 0.089 0.000 2.170 18 Q HA -0.046 4.296 4.340 0.004 0.000 0.203 18 Q C 2.599 178.611 176.000 0.021 0.000 0.976 18 Q CA 0.833 56.689 55.803 0.089 0.000 0.858 18 Q CB -0.107 28.494 28.738 -0.227 0.000 0.907 18 Q HN 0.215 nan 8.270 nan 0.000 0.433 19 K N 0.865 121.248 120.400 -0.028 0.000 2.026 19 K HA -0.069 4.253 4.320 0.004 0.000 0.208 19 K C 1.952 178.566 176.600 0.024 0.000 1.048 19 K CA 1.377 57.652 56.287 -0.020 0.000 0.929 19 K CB -0.197 32.285 32.500 -0.029 0.000 0.713 19 K HN 0.267 nan 8.250 nan 0.000 0.439 20 M N 0.173 119.789 119.600 0.026 0.000 2.159 20 M HA -0.155 4.327 4.480 0.004 0.000 0.263 20 M C 2.207 178.523 176.300 0.027 0.000 1.063 20 M CA 1.034 56.346 55.300 0.020 0.000 1.110 20 M CB -0.216 32.391 32.600 0.012 0.000 1.374 20 M HN -0.148 nan 8.290 nan 0.000 0.411 21 V N 0.603 120.552 119.914 0.059 0.000 2.343 21 V HA -0.294 3.829 4.120 0.004 0.000 0.247 21 V C 2.365 178.503 176.094 0.074 0.000 1.051 21 V CA 1.902 64.227 62.300 0.040 0.000 1.036 21 V CB -0.635 31.233 31.823 0.074 0.000 0.654 21 V HN 0.463 nan 8.190 nan 0.000 0.451 22 K N -0.595 119.900 120.400 0.158 0.000 2.057 22 K HA -0.158 4.164 4.320 0.004 0.000 0.207 22 K C 2.180 178.825 176.600 0.075 0.000 1.049 22 K CA 1.688 58.068 56.287 0.156 0.000 0.931 22 K CB -0.145 32.465 32.500 0.183 0.000 0.714 22 K HN 0.380 nan 8.250 nan 0.000 0.440 23 M N 0.392 120.024 119.600 0.054 0.000 2.132 23 M HA -0.123 4.359 4.480 0.004 0.000 0.263 23 M C 2.022 178.349 176.300 0.046 0.000 1.065 23 M CA 1.354 56.680 55.300 0.042 0.000 1.122 23 M CB -0.099 32.521 32.600 0.033 0.000 1.365 23 M HN 0.126 nan 8.290 nan 0.000 0.411 24 L N -0.327 120.908 121.223 0.019 0.000 2.240 24 L HA -0.022 4.320 4.340 0.004 0.000 0.211 24 L C 2.786 179.662 176.870 0.010 0.000 1.106 24 L CA 0.519 55.359 54.840 -0.001 0.000 0.793 24 L CB -0.772 41.255 42.059 -0.054 0.000 0.927 24 L HN 0.263 nan 8.230 nan 0.000 0.446 25 A N 1.322 124.140 122.820 -0.003 0.000 2.032 25 A HA -0.213 4.110 4.320 0.004 0.000 0.221 25 A C 1.850 179.432 177.584 -0.003 0.000 1.165 25 A CA 1.946 53.972 52.037 -0.018 0.000 0.645 25 A CB -0.382 18.602 19.000 -0.026 0.000 0.807 25 A HN 0.585 nan 8.150 nan 0.000 0.453 26 K N -1.142 119.266 120.400 0.013 0.000 2.646 26 K HA 0.282 4.604 4.320 0.004 0.000 0.206 26 K C -0.069 176.525 176.600 -0.010 0.000 1.069 26 K CA -0.512 55.775 56.287 0.000 0.000 1.067 26 K CB -0.212 32.284 32.500 -0.006 0.000 0.807 26 K HN 0.450 nan 8.250 nan 0.000 0.482 27 H N 1.528 120.550 119.070 -0.079 0.000 2.629 27 H HA 0.148 4.706 4.556 0.004 0.000 0.357 27 H C -1.541 173.714 175.328 -0.122 0.000 1.121 27 H CA -1.094 54.876 56.048 -0.130 0.000 1.406 27 H CB 1.315 30.963 29.762 -0.190 0.000 1.456 27 H HN -0.097 nan 8.280 nan 0.000 0.579 28 P HA -0.181 nan 4.420 nan 0.000 0.214 28 P C -0.018 177.367 177.300 0.142 0.000 1.163 28 P CA 1.858 64.861 63.100 -0.162 0.000 0.883 28 P CB 0.112 31.705 31.700 -0.179 0.000 0.788 29 Y N -4.915 115.541 120.300 0.260 0.000 2.425 29 Y HA 0.430 4.982 4.550 0.004 0.000 0.261 29 Y C 0.354 176.353 175.900 0.165 0.000 1.084 29 Y CA -0.918 57.292 58.100 0.185 0.000 1.248 29 Y CB -0.642 37.890 38.460 0.121 0.000 1.270 29 Y HN -0.289 nan 8.280 nan 0.000 0.524 30 L N 3.067 124.297 121.223 0.012 0.000 2.313 30 L HA 0.276 4.618 4.340 0.004 0.000 0.282 30 L C -0.073 176.759 176.870 -0.064 0.000 1.092 30 L CA -0.384 54.343 54.840 -0.189 0.000 0.831 30 L CB 0.627 42.268 42.059 -0.696 0.000 1.159 30 L HN 0.292 nan 8.230 nan 0.000 0.442 31 E N 3.340 123.524 120.200 -0.025 0.000 2.114 31 E HA 0.225 4.578 4.350 0.004 0.000 0.266 31 E C -1.115 175.463 176.600 -0.035 0.000 0.896 31 E CA -1.027 55.364 56.400 -0.016 0.000 0.750 31 E CB 1.259 30.963 29.700 0.006 0.000 1.121 31 E HN 0.362 nan 8.360 nan 0.000 0.413 32 L N 6.655 127.849 121.223 -0.048 0.000 2.407 32 L HA 0.055 4.397 4.340 0.004 0.000 0.282 32 L C 0.491 177.329 176.870 -0.053 0.000 1.110 32 L CA 0.470 55.276 54.840 -0.055 0.000 0.863 32 L CB 0.959 42.974 42.059 -0.073 0.000 1.207 32 L HN 0.545 nan 8.230 nan 0.000 0.454 33 V N 1.252 121.140 119.914 -0.044 0.000 3.661 33 V HA 0.415 4.537 4.120 0.004 0.000 0.271 33 V C 0.632 176.692 176.094 -0.057 0.000 1.315 33 V CA 0.137 62.408 62.300 -0.048 0.000 1.072 33 V CB -0.627 31.171 31.823 -0.041 0.000 0.830 33 V HN 0.696 nan 8.190 nan 0.000 0.443 34 K N 0.841 121.212 120.400 -0.050 0.000 2.523 34 K HA 0.719 5.042 4.320 0.004 0.000 0.257 34 K C -1.563 175.033 176.600 -0.007 0.000 0.932 34 K CA -0.508 55.748 56.287 -0.051 0.000 0.812 34 K CB 3.230 35.662 32.500 -0.113 0.000 1.326 34 K HN 0.165 nan 8.250 nan 0.000 0.433 35 V N -1.545 118.379 119.914 0.017 0.000 2.656 35 V HA 0.735 4.857 4.120 0.004 0.000 0.307 35 V C -0.581 175.585 176.094 0.120 0.000 1.051 35 V CA -0.626 61.720 62.300 0.077 0.000 0.893 35 V CB 1.682 33.555 31.823 0.083 0.000 0.999 35 V HN 0.693 nan 8.190 nan 0.000 0.426 36 S N 2.368 118.155 115.700 0.145 0.000 2.607 36 S HA 1.008 5.481 4.470 0.004 0.000 0.303 36 S C -0.228 174.444 174.600 0.120 0.000 1.086 36 S CA 0.323 58.604 58.200 0.136 0.000 0.995 36 S CB 1.778 65.082 63.200 0.173 0.000 1.084 36 S HN 2.120 nan 8.310 nan 0.000 0.507 37 A N 1.410 124.283 122.820 0.089 0.000 2.515 37 A HA 0.759 5.081 4.320 0.004 0.000 0.299 37 A C -0.165 177.446 177.584 0.045 0.000 1.179 37 A CA -0.263 51.812 52.037 0.064 0.000 0.656 37 A CB 0.221 19.250 19.000 0.048 0.000 1.306 37 A HN 1.591 nan 8.150 nan 0.000 0.459 38 S N 0.126 115.844 115.700 0.030 0.000 2.560 38 S HA 0.221 4.693 4.470 0.004 0.000 0.276 38 S C -1.673 172.941 174.600 0.023 0.000 1.350 38 S CA 0.438 58.652 58.200 0.024 0.000 1.024 38 S CB 0.044 63.254 63.200 0.017 0.000 0.864 38 S HN 0.385 nan 8.310 nan 0.000 0.536 39 P HA -0.174 nan 4.420 nan 0.000 0.216 39 P C 1.840 179.148 177.300 0.014 0.000 1.157 39 P CA 2.040 65.151 63.100 0.020 0.000 0.880 39 P CB -0.304 31.407 31.700 0.018 0.000 0.791 40 S N -1.031 114.675 115.700 0.010 0.000 2.469 40 S HA -0.107 4.366 4.470 0.004 0.000 0.238 40 S C 1.564 176.165 174.600 0.002 0.000 0.998 40 S CA 1.041 59.245 58.200 0.005 0.000 0.957 40 S CB -0.853 62.349 63.200 0.004 0.000 0.764 40 S HN 0.240 nan 8.310 nan 0.000 0.514 41 K N 0.411 120.812 120.400 0.003 0.000 2.356 41 K HA 0.342 4.665 4.320 0.004 0.000 0.195 41 K C 0.155 176.758 176.600 0.004 0.000 1.037 41 K CA -0.087 56.198 56.287 -0.003 0.000 1.014 41 K CB -0.012 32.482 32.500 -0.010 0.000 0.815 41 K HN 0.414 nan 8.250 nan 0.000 0.507 42 I N 1.336 121.913 120.570 0.012 0.000 2.752 42 I HA -0.131 4.041 4.170 0.004 0.000 0.289 42 I C 1.328 177.449 176.117 0.007 0.000 1.197 42 I CA 0.990 62.299 61.300 0.015 0.000 1.432 42 I CB 0.338 38.348 38.000 0.017 0.000 1.359 42 I HN 0.511 nan 8.210 nan 0.000 0.571 43 G N 4.440 113.244 108.800 0.006 0.000 2.234 43 G HA2 -0.196 3.766 3.960 0.004 0.000 0.235 43 G HA3 -0.196 3.766 3.960 0.004 0.000 0.235 43 G C 0.310 175.210 174.900 0.001 0.000 0.997 43 G CA -0.474 44.627 45.100 0.001 0.000 0.623 43 G HN 0.475 nan 8.290 nan 0.000 0.514 44 K N 1.318 121.719 120.400 0.002 0.000 2.118 44 K HA 0.446 4.768 4.320 0.004 0.000 0.264 44 K C 0.618 177.223 176.600 0.008 0.000 1.000 44 K CA -0.451 55.834 56.287 -0.003 0.000 0.929 44 K CB 1.006 33.497 32.500 -0.015 0.000 1.021 44 K HN 0.404 nan 8.250 nan 0.000 0.463 45 K N 1.406 121.811 120.400 0.007 0.000 2.326 45 K HA -0.014 4.309 4.320 0.004 0.000 0.275 45 K C 1.050 177.677 176.600 0.045 0.000 1.018 45 K CA -0.089 56.217 56.287 0.031 0.000 0.962 45 K CB 0.263 32.772 32.500 0.016 0.000 0.953 45 K HN 0.448 nan 8.250 nan 0.000 0.475 46 Y N 3.796 124.077 120.300 -0.032 0.000 2.102 46 Y HA -0.371 4.181 4.550 0.003 0.000 0.280 46 Y C 2.111 177.990 175.900 -0.035 0.000 1.178 46 Y CA 2.187 60.271 58.100 -0.027 0.000 1.146 46 Y CB -0.019 38.418 38.460 -0.038 0.000 0.968 46 Y HN 0.625 nan 8.280 nan 0.000 0.504 47 K N -0.968 119.467 120.400 0.059 0.000 2.211 47 K HA -0.180 4.142 4.320 0.004 0.000 0.204 47 K C 1.183 177.730 176.600 -0.088 0.000 1.047 47 K CA 1.908 58.172 56.287 -0.040 0.000 0.935 47 K CB -0.298 32.183 32.500 -0.031 0.000 0.728 47 K HN 0.324 nan 8.250 nan 0.000 0.452 48 D N 0.741 121.098 120.400 -0.073 0.000 2.305 48 D HA 0.052 4.695 4.640 0.004 0.000 0.206 48 D C 1.724 177.971 176.300 -0.089 0.000 0.974 48 D CA 0.969 54.930 54.000 -0.064 0.000 0.871 48 D CB 0.410 41.187 40.800 -0.038 0.000 0.947 48 D HN 0.421 nan 8.370 nan 0.000 0.516 49 A N 0.500 123.235 122.820 -0.142 0.000 1.997 49 A HA 0.103 4.425 4.320 0.004 0.000 0.212 49 A C 1.213 178.675 177.584 -0.204 0.000 1.178 49 A CA 0.070 52.017 52.037 -0.150 0.000 0.698 49 A CB 0.250 19.168 19.000 -0.136 0.000 0.842 49 A HN 0.101 nan 8.150 nan 0.000 0.458 50 V N 1.000 120.704 119.914 -0.349 0.000 2.686 50 V HA 0.335 4.458 4.120 0.004 0.000 0.295 50 V C -0.636 175.393 176.094 -0.109 0.000 1.057 50 V CA -0.652 61.462 62.300 -0.309 0.000 1.012 50 V CB 1.300 32.763 31.823 -0.600 0.000 1.006 50 V HN 0.249 nan 8.190 nan 0.000 0.477 51 K N 6.894 127.262 120.400 -0.053 0.000 2.360 51 K HA 0.150 4.472 4.320 0.004 0.000 0.235 51 K C -0.242 176.365 176.600 0.012 0.000 1.077 51 K CA -0.260 56.014 56.287 -0.022 0.000 1.035 51 K CB 0.511 32.975 32.500 -0.061 0.000 1.623 51 K HN 0.845 nan 8.250 nan 0.000 0.462 52 W N 3.847 125.072 121.300 -0.125 0.000 2.435 52 W HA -0.155 4.506 4.660 0.002 0.000 0.337 52 W C 0.126 176.559 176.519 -0.144 0.000 1.300 52 W CA 0.231 57.523 57.345 -0.089 0.000 1.298 52 W CB 0.492 29.933 29.460 -0.033 0.000 1.217 52 W HN 0.393 nan 8.180 nan 0.000 0.565 53 I N 3.404 123.549 120.570 -0.709 0.000 4.541 53 I HA 0.053 4.226 4.170 0.004 0.000 0.337 53 I C 0.645 176.346 176.117 -0.694 0.000 1.338 53 I CA 0.152 61.050 61.300 -0.669 0.000 1.244 53 I CB -0.220 37.271 38.000 -0.847 0.000 1.417 53 I HN 0.279 nan 8.210 nan 0.000 0.501 54 E N 0.983 120.479 120.200 -1.174 0.000 2.385 54 E HA 0.146 4.498 4.350 0.004 0.000 0.254 54 E C 0.055 176.425 176.600 -0.382 0.000 1.228 54 E CA -0.295 55.632 56.400 -0.788 0.000 0.956 54 E CB 0.413 29.520 29.700 -0.987 0.000 1.116 54 E HN 0.035 nan 8.360 nan 0.000 0.507 55 Q N 0.662 120.390 119.800 -0.120 0.000 2.293 55 Q HA 0.341 4.684 4.340 0.004 0.000 0.251 55 Q C 0.239 176.353 176.000 0.190 0.000 0.930 55 Q CA 0.516 56.339 55.803 0.033 0.000 0.893 55 Q CB 0.737 29.490 28.738 0.025 0.000 1.215 55 Q HN 0.644 nan 8.270 nan 0.000 0.425 56 G N 3.964 112.879 108.800 0.192 0.000 2.642 56 G HA2 -0.201 3.761 3.960 0.004 0.000 0.231 56 G HA3 -0.201 3.761 3.960 0.004 0.000 0.231 56 G C -0.841 174.263 174.900 0.339 0.000 1.338 56 G CA -0.054 45.175 45.100 0.213 0.000 0.883 56 G HN 0.748 nan 8.290 nan 0.000 0.570 57 D N -0.496 120.003 120.400 0.166 0.000 2.437 57 D HA 0.521 5.164 4.640 0.004 0.000 0.259 57 D C 0.834 176.950 176.300 -0.307 0.000 1.118 57 D CA -0.339 53.641 54.000 -0.033 0.000 1.017 57 D CB 0.913 41.665 40.800 -0.081 0.000 1.120 57 D HN 0.488 nan 8.370 nan 0.000 0.541 58 I N 1.506 121.599 120.570 -0.795 0.000 2.471 58 I HA 0.090 4.263 4.170 0.004 0.000 0.286 58 I C -2.048 173.792 176.117 -0.462 0.000 1.079 58 I CA -1.519 59.132 61.300 -1.082 0.000 1.398 58 I CB 0.304 37.718 38.000 -0.975 0.000 1.403 58 I HN -0.062 nan 8.210 nan 0.000 0.530 59 P HA -0.096 nan 4.420 nan 0.000 0.261 59 P C 0.494 177.688 177.300 -0.177 0.000 1.173 59 P CA 0.292 63.289 63.100 -0.173 0.000 0.760 59 P CB 0.478 32.101 31.700 -0.127 0.000 0.783 60 E N 2.652 122.778 120.200 -0.122 0.000 2.338 60 E HA -0.185 4.168 4.350 0.004 0.000 0.197 60 E C 1.164 177.707 176.600 -0.094 0.000 1.007 60 E CA 0.593 56.931 56.400 -0.104 0.000 0.849 60 E CB 0.234 29.890 29.700 -0.074 0.000 0.774 60 E HN 0.493 nan 8.360 nan 0.000 0.506 61 E N -0.378 119.764 120.200 -0.096 0.000 2.502 61 E HA -0.049 4.303 4.350 0.004 0.000 0.194 61 E C 1.522 178.053 176.600 -0.115 0.000 1.062 61 E CA 0.364 56.712 56.400 -0.087 0.000 0.867 61 E CB 0.671 30.329 29.700 -0.070 0.000 0.888 61 E HN 0.172 nan 8.360 nan 0.000 0.510 62 V N 1.253 121.068 119.914 -0.164 0.000 3.371 62 V HA -0.128 3.994 4.120 0.004 0.000 0.246 62 V C 2.494 178.475 176.094 -0.188 0.000 1.303 62 V CA 0.845 63.002 62.300 -0.238 0.000 1.156 62 V CB 0.331 31.911 31.823 -0.406 0.000 0.929 62 V HN 0.219 nan 8.190 nan 0.000 0.459 63 Q N 0.525 120.242 119.800 -0.140 0.000 2.152 63 Q HA -0.267 4.075 4.340 0.004 0.000 0.206 63 Q C 0.989 176.999 176.000 0.016 0.000 0.985 63 Q CA 2.300 58.082 55.803 -0.034 0.000 0.863 63 Q CB -0.357 28.325 28.738 -0.092 0.000 0.904 63 Q HN 0.504 nan 8.270 nan 0.000 0.422 64 D N 0.406 120.794 120.400 -0.020 0.000 2.349 64 D HA 0.187 4.829 4.640 0.004 0.000 0.214 64 D C 0.068 176.368 176.300 0.001 0.000 1.063 64 D CA 0.012 54.007 54.000 -0.007 0.000 0.847 64 D CB 0.304 41.090 40.800 -0.023 0.000 0.933 64 D HN 0.252 nan 8.370 nan 0.000 0.513 65 L N 3.367 124.590 121.223 -0.000 0.000 2.455 65 L HA 0.136 4.478 4.340 0.004 0.000 0.272 65 L C -2.001 174.894 176.870 0.041 0.000 1.174 65 L CA -1.197 53.642 54.840 -0.002 0.000 0.869 65 L CB 0.353 42.391 42.059 -0.036 0.000 1.130 65 L HN -0.232 nan 8.230 nan 0.000 0.474 66 P HA 0.152 nan 4.420 nan 0.000 0.286 66 P C -0.458 176.862 177.300 0.033 0.000 1.269 66 P CA -0.574 62.540 63.100 0.024 0.000 0.787 66 P CB 1.118 32.818 31.700 0.000 0.000 0.920 67 I N 3.955 124.556 120.570 0.053 0.000 2.752 67 I HA -0.018 4.154 4.170 0.004 0.000 0.289 67 I C 1.153 177.286 176.117 0.028 0.000 1.197 67 I CA 0.257 61.593 61.300 0.061 0.000 1.432 67 I CB 0.270 38.302 38.000 0.054 0.000 1.359 67 I HN 0.215 nan 8.210 nan 0.000 0.571 68 V N 3.498 123.427 119.914 0.026 0.000 3.103 68 V HA 0.751 4.873 4.120 0.004 0.000 0.318 68 V C 0.345 176.469 176.094 0.049 0.000 1.114 68 V CA -0.848 61.450 62.300 -0.002 0.000 1.020 68 V CB 1.502 33.269 31.823 -0.093 0.000 1.085 68 V HN 0.843 nan 8.190 nan 0.000 0.446 69 S N 0.604 116.336 115.700 0.052 0.000 2.641 69 S HA 0.243 4.715 4.470 0.004 0.000 0.261 69 S C 0.993 175.709 174.600 0.193 0.000 1.257 69 S CA 0.330 58.585 58.200 0.091 0.000 0.983 69 S CB 0.818 64.057 63.200 0.065 0.000 0.990 69 S HN 1.630 nan 8.310 nan 0.000 0.572 70 T N -2.278 112.356 114.554 0.133 0.000 3.086 70 T HA 0.229 4.582 4.350 0.004 0.000 0.250 70 T C 0.155 174.896 174.700 0.069 0.000 1.074 70 T CA -0.384 61.769 62.100 0.089 0.000 0.988 70 T CB -1.092 67.790 68.868 0.025 0.000 0.988 70 T HN 0.606 nan 8.240 nan 0.000 0.530 71 N N 0.750 119.526 118.700 0.127 0.000 2.530 71 N HA 0.283 5.025 4.740 0.004 0.000 0.277 71 N C 0.297 175.927 175.510 0.200 0.000 1.168 71 N CA -0.725 52.402 53.050 0.129 0.000 0.979 71 N CB 0.700 39.248 38.487 0.102 0.000 1.141 71 N HN 0.086 nan 8.380 nan 0.000 0.459 72 Y N 2.038 122.376 120.300 0.063 0.000 2.062 72 Y HA -0.372 4.180 4.550 0.004 0.000 0.273 72 Y C 1.871 177.827 175.900 0.094 0.000 1.206 72 Y CA 1.938 60.080 58.100 0.069 0.000 1.125 72 Y CB -0.052 38.419 38.460 0.018 0.000 0.951 72 Y HN 0.587 nan 8.280 nan 0.000 0.501 73 E N 0.066 120.240 120.200 -0.043 0.000 2.233 73 E HA -0.233 4.120 4.350 0.004 0.000 0.199 73 E C 1.557 178.039 176.600 -0.197 0.000 1.004 73 E CA 1.660 57.968 56.400 -0.153 0.000 0.819 73 E CB -0.422 29.282 29.700 0.007 0.000 0.738 73 E HN 0.665 nan 8.360 nan 0.000 0.478 74 D N -0.783 119.543 120.400 -0.124 0.000 2.340 74 D HA -0.012 4.630 4.640 0.004 0.000 0.220 74 D C 0.370 176.381 176.300 -0.481 0.000 1.039 74 D CA 0.393 54.251 54.000 -0.236 0.000 0.866 74 D CB 0.077 40.756 40.800 -0.201 0.000 0.913 74 D HN 0.327 nan 8.370 nan 0.000 0.523 75 H N -0.787 118.147 119.070 -0.226 0.000 2.567 75 H HA 0.231 4.789 4.556 0.004 0.000 0.267 75 H C 1.307 176.472 175.328 -0.272 0.000 1.148 75 H CA -0.210 55.723 56.048 -0.191 0.000 1.031 75 H CB 0.668 30.361 29.762 -0.115 0.000 1.691 75 H HN -0.100 nan 8.280 nan 0.000 0.588 76 K N 0.625 120.824 120.400 -0.335 0.000 2.025 76 K HA -0.113 4.209 4.320 0.004 0.000 0.207 76 K C 0.983 177.511 176.600 -0.120 0.000 1.049 76 K CA 1.632 57.724 56.287 -0.326 0.000 0.933 76 K CB 0.081 32.380 32.500 -0.334 0.000 0.714 76 K HN 0.388 nan 8.250 nan 0.000 0.438 77 D N 0.563 120.900 120.400 -0.106 0.000 2.324 77 D HA -0.021 4.622 4.640 0.004 0.000 0.235 77 D C 0.159 176.437 176.300 -0.036 0.000 1.095 77 D CA 0.057 54.022 54.000 -0.059 0.000 0.871 77 D CB -0.126 40.635 40.800 -0.065 0.000 0.906 77 D HN -0.168 nan 8.370 nan 0.000 0.522 78 V N 1.155 121.055 119.914 -0.023 0.000 2.539 78 V HA 0.067 4.190 4.120 0.004 0.000 0.292 78 V C 0.944 177.053 176.094 0.025 0.000 1.045 78 V CA -0.584 61.721 62.300 0.009 0.000 0.945 78 V CB 1.998 33.849 31.823 0.048 0.000 0.993 78 V HN -0.075 nan 8.190 nan 0.000 0.464 79 D N 2.118 122.533 120.400 0.025 0.000 2.110 79 D HA 0.018 4.660 4.640 0.004 0.000 0.202 79 D C 0.245 176.567 176.300 0.037 0.000 0.975 79 D CA 1.452 55.471 54.000 0.033 0.000 0.839 79 D CB 0.432 41.252 40.800 0.033 0.000 0.996 79 D HN 0.325 nan 8.370 nan 0.000 0.464 80 V N 1.070 121.003 119.914 0.031 0.000 2.709 80 V HA 0.312 4.435 4.120 0.004 0.000 0.308 80 V C -0.178 175.929 176.094 0.021 0.000 1.062 80 V CA -0.848 61.467 62.300 0.025 0.000 0.901 80 V CB 2.824 34.659 31.823 0.019 0.000 1.003 80 V HN -0.237 nan 8.190 nan 0.000 0.425 81 V N 5.642 125.559 119.914 0.005 0.000 2.347 81 V HA 0.451 4.574 4.120 0.004 0.000 0.280 81 V C -0.161 175.915 176.094 -0.029 0.000 1.021 81 V CA -0.383 61.908 62.300 -0.015 0.000 0.847 81 V CB 1.382 33.157 31.823 -0.079 0.000 0.990 81 V HN 0.612 nan 8.190 nan 0.000 0.444 82 L N 4.042 125.254 121.223 -0.018 0.000 2.289 82 L HA 0.618 4.961 4.340 0.004 0.000 0.285 82 L C 0.255 177.114 176.870 -0.018 0.000 1.049 82 L CA -0.022 54.808 54.840 -0.018 0.000 0.804 82 L CB 1.714 43.764 42.059 -0.016 0.000 1.195 82 L HN 0.634 nan 8.230 nan 0.000 0.428 83 S N 1.709 117.400 115.700 -0.015 0.000 2.519 83 S HA 0.684 5.157 4.470 0.004 0.000 0.309 83 S C 0.118 174.723 174.600 0.008 0.000 1.100 83 S CA -0.274 57.920 58.200 -0.009 0.000 1.059 83 S CB 1.694 64.881 63.200 -0.022 0.000 1.008 83 S HN 0.705 nan 8.310 nan 0.000 0.478 84 A N 5.323 128.153 122.820 0.017 0.000 2.606 84 A HA 0.444 4.767 4.320 0.004 0.000 0.290 84 A C 0.269 177.869 177.584 0.028 0.000 1.174 84 A CA -0.368 51.684 52.037 0.024 0.000 0.958 84 A CB -0.215 18.804 19.000 0.030 0.000 1.194 84 A HN 0.746 nan 8.150 nan 0.000 0.526 85 L N 1.705 122.942 121.223 0.024 0.000 2.499 85 L HA 0.155 4.498 4.340 0.004 0.000 0.281 85 L C -1.671 175.215 176.870 0.026 0.000 1.234 85 L CA -1.193 53.662 54.840 0.025 0.000 0.839 85 L CB 0.158 42.227 42.059 0.018 0.000 1.104 85 L HN 0.237 nan 8.230 nan 0.000 0.500 86 P HA 0.069 nan 4.420 nan 0.000 0.275 86 P C -0.379 176.934 177.300 0.022 0.000 1.228 86 P CA -0.241 62.873 63.100 0.024 0.000 0.786 86 P CB 0.579 32.292 31.700 0.022 0.000 0.927 87 N N 1.301 120.013 118.700 0.020 0.000 2.132 87 N HA -0.201 4.541 4.740 0.004 0.000 0.191 87 N C 1.231 176.749 175.510 0.014 0.000 1.015 87 N CA 1.167 54.228 53.050 0.018 0.000 0.864 87 N CB -0.129 38.365 38.487 0.011 0.000 1.006 87 N HN 0.611 nan 8.380 nan 0.000 0.430 88 E N 0.175 120.382 120.200 0.012 0.000 2.418 88 E HA -0.041 4.311 4.350 0.004 0.000 0.197 88 E C 1.243 177.851 176.600 0.013 0.000 1.026 88 E CA 0.571 56.977 56.400 0.010 0.000 0.862 88 E CB 0.197 29.902 29.700 0.009 0.000 0.799 88 E HN 0.486 nan 8.360 nan 0.000 0.518 89 L N -0.790 120.444 121.223 0.018 0.000 2.781 89 L HA 0.279 4.621 4.340 0.004 0.000 0.245 89 L C 2.181 179.066 176.870 0.025 0.000 1.118 89 L CA 0.056 54.908 54.840 0.020 0.000 0.918 89 L CB 0.179 42.250 42.059 0.019 0.000 1.246 89 L HN 0.006 nan 8.230 nan 0.000 0.526 90 A N 0.667 123.506 122.820 0.030 0.000 1.877 90 A HA -0.233 4.089 4.320 0.004 0.000 0.216 90 A C 2.108 179.733 177.584 0.068 0.000 1.186 90 A CA 1.863 53.925 52.037 0.041 0.000 0.620 90 A CB -0.348 18.682 19.000 0.050 0.000 0.822 90 A HN 0.419 nan 8.150 nan 0.000 0.443 91 E N -0.083 120.170 120.200 0.089 0.000 2.035 91 E HA -0.221 4.131 4.350 0.004 0.000 0.204 91 E C 2.281 178.964 176.600 0.137 0.000 1.025 91 E CA 1.892 58.388 56.400 0.160 0.000 0.835 91 E CB -0.170 29.573 29.700 0.073 0.000 0.764 91 E HN 0.562 nan 8.360 nan 0.000 0.457 92 S N 0.249 115.993 115.700 0.073 0.000 2.359 92 S HA -0.170 4.303 4.470 0.004 0.000 0.224 92 S C 2.019 176.627 174.600 0.014 0.000 1.035 92 S CA 1.304 59.531 58.200 0.046 0.000 1.018 92 S CB -0.298 62.921 63.200 0.031 0.000 0.876 92 S HN 0.278 nan 8.310 nan 0.000 0.448 93 I N 1.648 122.224 120.570 0.009 0.000 2.142 93 I HA -0.219 3.954 4.170 0.004 0.000 0.240 93 I C 2.547 178.633 176.117 -0.053 0.000 1.078 93 I CA 1.410 62.701 61.300 -0.016 0.000 1.343 93 I CB -0.518 37.475 38.000 -0.011 0.000 1.046 93 I HN 0.361 nan 8.210 nan 0.000 0.405 94 E N 0.579 120.746 120.200 -0.054 0.000 2.072 94 E HA -0.241 4.111 4.350 0.004 0.000 0.191 94 E C 2.156 178.624 176.600 -0.220 0.000 0.985 94 E CA 1.002 57.330 56.400 -0.119 0.000 0.801 94 E CB -0.260 29.389 29.700 -0.086 0.000 0.750 94 E HN 0.279 nan 8.360 nan 0.000 0.452 95 L N 1.894 122.998 121.223 -0.198 0.000 2.012 95 L HA -0.204 4.138 4.340 0.004 0.000 0.210 95 L C 2.101 178.784 176.870 -0.310 0.000 1.073 95 L CA 1.841 56.479 54.840 -0.338 0.000 0.748 95 L CB -0.311 41.673 42.059 -0.125 0.000 0.891 95 L HN -0.026 nan 8.230 nan 0.000 0.431 96 E N -0.358 119.743 120.200 -0.166 0.000 2.077 96 E HA -0.195 4.158 4.350 0.004 0.000 0.193 96 E C 2.329 178.845 176.600 -0.141 0.000 0.989 96 E CA 1.452 57.775 56.400 -0.130 0.000 0.800 96 E CB -0.395 29.271 29.700 -0.056 0.000 0.746 96 E HN 0.532 nan 8.360 nan 0.000 0.452 97 L N 0.215 121.365 121.223 -0.122 0.000 2.046 97 L HA -0.164 4.179 4.340 0.004 0.000 0.208 97 L C 2.530 179.322 176.870 -0.130 0.000 1.077 97 L CA 0.809 55.610 54.840 -0.065 0.000 0.747 97 L CB -0.447 41.555 42.059 -0.094 0.000 0.896 97 L HN -0.006 nan 8.230 nan 0.000 0.432 98 V N -0.300 119.448 119.914 -0.277 0.000 2.427 98 V HA -0.234 3.888 4.120 0.004 0.000 0.248 98 V C 2.273 178.152 176.094 -0.358 0.000 1.051 98 V CA 1.521 63.598 62.300 -0.372 0.000 1.048 98 V CB -0.467 30.927 31.823 -0.716 0.000 0.666 98 V HN 0.391 nan 8.190 nan 0.000 0.456 99 K N 0.217 120.386 120.400 -0.385 0.000 2.515 99 K HA -0.033 4.289 4.320 0.004 0.000 0.196 99 K C 1.226 177.703 176.600 -0.204 0.000 1.038 99 K CA 0.563 56.693 56.287 -0.262 0.000 0.967 99 K CB -0.085 32.287 32.500 -0.214 0.000 0.780 99 K HN 0.423 nan 8.250 nan 0.000 0.483 100 N N -0.302 118.245 118.700 -0.255 0.000 2.203 100 N HA 0.025 4.768 4.740 0.004 0.000 0.207 100 N C 0.516 175.872 175.510 -0.258 0.000 1.130 100 N CA 0.619 53.413 53.050 -0.427 0.000 0.861 100 N CB 1.576 39.528 38.487 -0.891 0.000 1.005 100 N HN 0.301 nan 8.380 nan 0.000 0.507 101 G N 1.004 109.746 108.800 -0.097 0.000 2.134 101 G HA2 -0.205 3.757 3.960 0.004 0.000 0.209 101 G HA3 -0.205 3.757 3.960 0.004 0.000 0.209 101 G C -0.042 174.896 174.900 0.063 0.000 0.993 101 G CA -0.248 44.854 45.100 0.004 0.000 0.669 101 G HN 0.085 nan 8.290 nan 0.000 0.519 102 K N 0.177 120.610 120.400 0.055 0.000 2.144 102 K HA 0.549 4.871 4.320 0.004 0.000 0.270 102 K C 0.523 177.130 176.600 0.010 0.000 1.005 102 K CA -0.632 55.694 56.287 0.065 0.000 0.932 102 K CB 1.582 34.126 32.500 0.073 0.000 1.021 102 K HN 0.266 nan 8.250 nan 0.000 0.462 103 I N 2.723 123.307 120.570 0.023 0.000 2.312 103 I HA 0.096 4.268 4.170 0.004 0.000 0.291 103 I C -0.362 175.749 176.117 -0.011 0.000 1.031 103 I CA -0.666 60.644 61.300 0.015 0.000 1.293 103 I CB 1.059 39.081 38.000 0.037 0.000 1.403 103 I HN 0.025 nan 8.210 nan 0.000 0.484 104 V N 7.635 127.527 119.914 -0.036 0.000 2.487 104 V HA 0.383 4.506 4.120 0.004 0.000 0.298 104 V C -0.197 175.877 176.094 -0.034 0.000 1.028 104 V CA -0.665 61.602 62.300 -0.054 0.000 0.860 104 V CB 2.096 33.857 31.823 -0.103 0.000 0.991 104 V HN 0.359 nan 8.190 nan 0.000 0.427 105 V N 3.869 123.770 119.914 -0.022 0.000 2.378 105 V HA 0.697 4.819 4.120 0.004 0.000 0.288 105 V C 0.020 176.110 176.094 -0.006 0.000 1.016 105 V CA -0.199 62.096 62.300 -0.008 0.000 0.840 105 V CB 1.592 33.413 31.823 -0.002 0.000 0.994 105 V HN 0.909 nan 8.190 nan 0.000 0.431 106 S N 3.419 119.123 115.700 0.006 0.000 2.570 106 S HA 0.449 4.921 4.470 0.004 0.000 0.286 106 S C 0.447 175.065 174.600 0.029 0.000 1.099 106 S CA -0.570 57.638 58.200 0.014 0.000 0.913 106 S CB 1.777 64.985 63.200 0.013 0.000 1.085 106 S HN 0.850 nan 8.310 nan 0.000 0.480 107 N N 2.007 120.724 118.700 0.028 0.000 2.230 107 N HA 0.225 4.968 4.740 0.004 0.000 0.202 107 N C 0.498 176.031 175.510 0.039 0.000 1.119 107 N CA -0.475 52.596 53.050 0.034 0.000 0.851 107 N CB 0.462 38.965 38.487 0.027 0.000 0.990 107 N HN 0.552 nan 8.380 nan 0.000 0.497 108 A N 1.364 124.210 122.820 0.043 0.000 2.351 108 A HA 0.291 4.614 4.320 0.004 0.000 0.257 108 A C 1.443 179.062 177.584 0.058 0.000 1.087 108 A CA -0.199 51.865 52.037 0.046 0.000 0.798 108 A CB 0.669 19.697 19.000 0.046 0.000 1.033 108 A HN 0.353 nan 8.150 nan 0.000 0.488 109 S N 0.496 116.224 115.700 0.046 0.000 2.383 109 S HA 0.003 4.476 4.470 0.004 0.000 0.227 109 S C -1.546 173.084 174.600 0.050 0.000 1.026 109 S CA 0.406 58.631 58.200 0.043 0.000 0.981 109 S CB -1.565 61.648 63.200 0.020 0.000 0.818 109 S HN 0.541 nan 8.310 nan 0.000 0.472 110 P HA 0.167 nan 4.420 nan 0.000 0.264 110 P C -0.140 177.257 177.300 0.162 0.000 1.183 110 P CA 0.404 63.507 63.100 0.006 0.000 0.763 110 P CB -0.247 31.472 31.700 0.031 0.000 0.807 111 F N 0.019 120.001 119.950 0.054 0.000 2.748 111 F HA -0.287 4.242 4.527 0.004 0.000 0.370 111 F C 1.748 177.590 175.800 0.070 0.000 0.620 111 F CA 0.837 58.884 58.000 0.079 0.000 1.233 111 F CB -1.564 37.502 39.000 0.110 0.000 1.708 111 F HN 0.406 nan 8.300 nan 0.000 0.298 112 R N -0.425 120.181 120.500 0.177 0.000 2.091 112 R HA -0.100 4.242 4.340 0.004 0.000 0.238 112 R C 1.530 177.896 176.300 0.111 0.000 1.136 112 R CA 1.701 57.879 56.100 0.130 0.000 0.959 112 R CB -0.215 30.135 30.300 0.083 0.000 0.856 112 R HN 0.219 nan 8.270 nan 0.000 0.437 113 M N 0.963 120.615 119.600 0.086 0.000 2.493 113 M HA 0.077 4.560 4.480 0.004 0.000 0.244 113 M C -0.128 176.219 176.300 0.079 0.000 1.182 113 M CA -0.204 55.136 55.300 0.066 0.000 0.981 113 M CB -0.363 32.258 32.600 0.035 0.000 1.551 113 M HN -0.039 nan 8.290 nan 0.000 0.476 114 D N 1.943 122.426 120.400 0.140 0.000 2.383 114 D HA 0.084 4.726 4.640 0.004 0.000 0.252 114 D C -1.798 174.564 176.300 0.103 0.000 1.166 114 D CA -1.404 52.696 54.000 0.166 0.000 0.879 114 D CB 2.096 43.112 40.800 0.360 0.000 1.164 114 D HN 0.007 nan 8.370 nan 0.000 0.462 115 P HA -0.126 nan 4.420 nan 0.000 0.217 115 P C 0.244 177.547 177.300 0.004 0.000 1.148 115 P CA 1.092 64.200 63.100 0.014 0.000 0.834 115 P CB 0.300 31.998 31.700 -0.003 0.000 0.783 116 D N -1.839 118.564 120.400 0.005 0.000 2.349 116 D HA 0.080 4.722 4.640 0.004 0.000 0.214 116 D C 0.036 176.342 176.300 0.009 0.000 1.063 116 D CA 0.320 54.308 54.000 -0.020 0.000 0.847 116 D CB 0.599 41.335 40.800 -0.106 0.000 0.933 116 D HN 0.059 nan 8.370 nan 0.000 0.513 117 V N 2.601 122.553 119.914 0.064 0.000 2.384 117 V HA 0.275 4.397 4.120 0.004 0.000 0.287 117 V C -2.351 173.795 176.094 0.086 0.000 1.020 117 V CA -1.931 60.430 62.300 0.102 0.000 0.850 117 V CB 2.084 34.015 31.823 0.179 0.000 0.987 117 V HN -0.177 nan 8.190 nan 0.000 0.436 118 P HA 0.196 nan 4.420 nan 0.000 0.271 118 P C -0.765 176.591 177.300 0.093 0.000 1.216 118 P CA -0.283 62.863 63.100 0.077 0.000 0.771 118 P CB 0.643 32.372 31.700 0.048 0.000 0.864 119 L N 5.432 126.725 121.223 0.118 0.000 2.335 119 L HA 0.355 4.698 4.340 0.004 0.000 0.268 119 L C -0.947 175.983 176.870 0.099 0.000 1.037 119 L CA -0.244 54.659 54.840 0.104 0.000 0.895 119 L CB -0.304 41.817 42.059 0.104 0.000 1.266 119 L HN 0.181 nan 8.230 nan 0.000 0.439 120 I N 3.605 124.220 120.570 0.074 0.000 2.385 120 I HA 0.372 4.544 4.170 0.004 0.000 0.294 120 I C 0.013 176.164 176.117 0.057 0.000 0.988 120 I CA -0.334 61.002 61.300 0.060 0.000 1.265 120 I CB 1.427 39.462 38.000 0.058 0.000 1.388 120 I HN 0.557 nan 8.210 nan 0.000 0.480 121 N N 8.074 126.807 118.700 0.056 0.000 2.648 121 N HA 0.321 5.063 4.740 0.004 0.000 0.261 121 N C -2.213 173.356 175.510 0.098 0.000 1.138 121 N CA -2.022 51.069 53.050 0.068 0.000 0.804 121 N CB 1.699 40.223 38.487 0.061 0.000 1.237 121 N HN 0.074 nan 8.380 nan 0.000 0.532 122 P HA -0.309 nan 4.420 nan 0.000 0.224 122 P C 0.508 177.938 177.300 0.216 0.000 0.837 122 P CA 2.145 65.332 63.100 0.145 0.000 1.060 122 P CB 0.276 32.027 31.700 0.086 0.000 0.717 123 E N -1.824 118.479 120.200 0.170 0.000 2.265 123 E HA -0.127 4.226 4.350 0.004 0.000 0.196 123 E C 1.852 178.647 176.600 0.326 0.000 0.996 123 E CA 0.861 57.380 56.400 0.200 0.000 0.832 123 E CB -0.501 29.286 29.700 0.145 0.000 0.756 123 E HN 0.278 nan 8.360 nan 0.000 0.491 124 I N 1.114 121.831 120.570 0.245 0.000 2.400 124 I HA -0.051 4.121 4.170 0.004 0.000 0.248 124 I C 0.553 176.669 176.117 -0.003 0.000 1.109 124 I CA 0.831 62.227 61.300 0.161 0.000 1.425 124 I CB -0.769 37.277 38.000 0.076 0.000 1.094 124 I HN 0.173 nan 8.210 nan 0.000 0.425 125 N N -0.135 118.516 118.700 -0.082 0.000 2.605 125 N HA -0.055 4.687 4.740 0.004 0.000 0.265 125 N C 0.583 175.921 175.510 -0.287 0.000 1.625 125 N CA -0.543 52.262 53.050 -0.408 0.000 0.862 125 N CB -1.043 36.965 38.487 -0.799 0.000 1.415 125 N HN 0.409 nan 8.380 nan 0.000 0.513 126 W N 0.745 122.007 121.300 -0.064 0.000 2.392 126 W HA 0.010 4.672 4.660 0.004 0.000 0.279 126 W C 0.252 176.785 176.519 0.023 0.000 1.225 126 W CA 0.733 58.068 57.345 -0.015 0.000 1.233 126 W CB -0.718 28.747 29.460 0.009 0.000 1.122 126 W HN 0.120 nan 8.180 nan 0.000 0.561 127 E N 0.358 120.066 120.200 -0.819 0.000 2.209 127 E HA -0.198 4.154 4.350 0.004 0.000 0.196 127 E C 1.692 178.251 176.600 -0.068 0.000 0.993 127 E CA 1.529 57.573 56.400 -0.593 0.000 0.819 127 E CB -0.884 28.346 29.700 -0.784 0.000 0.745 127 E HN 0.514 nan 8.360 nan 0.000 0.477 128 H N -0.143 118.825 119.070 -0.170 0.000 2.543 128 H HA -0.018 4.541 4.556 0.004 0.000 0.286 128 H C 1.582 176.879 175.328 -0.051 0.000 1.037 128 H CA 0.138 56.141 56.048 -0.075 0.000 1.250 128 H CB 0.029 29.760 29.762 -0.052 0.000 1.373 128 H HN 0.151 nan 8.280 nan 0.000 0.580 129 L N 0.530 121.778 121.223 0.041 0.000 2.362 129 L HA -0.152 4.191 4.340 0.004 0.000 0.219 129 L C 1.978 178.767 176.870 -0.135 0.000 1.134 129 L CA 0.831 55.577 54.840 -0.157 0.000 0.807 129 L CB -0.127 41.701 42.059 -0.386 0.000 0.927 129 L HN 0.344 nan 8.230 nan 0.000 0.447 130 E N 0.160 120.406 120.200 0.076 0.000 2.160 130 E HA -0.237 4.115 4.350 0.004 0.000 0.195 130 E C 2.264 178.904 176.600 0.067 0.000 0.991 130 E CA 0.906 57.399 56.400 0.155 0.000 0.810 130 E CB -0.126 29.679 29.700 0.175 0.000 0.742 130 E HN 0.476 nan 8.360 nan 0.000 0.466 131 L N 0.712 121.992 121.223 0.096 0.000 2.151 131 L HA -0.268 4.074 4.340 0.004 0.000 0.215 131 L C 2.280 179.176 176.870 0.044 0.000 1.084 131 L CA 0.949 55.879 54.840 0.150 0.000 0.764 131 L CB -0.480 41.627 42.059 0.079 0.000 0.891 131 L HN 0.270 nan 8.230 nan 0.000 0.435 132 L N -0.454 120.755 121.223 -0.022 0.000 2.261 132 L HA -0.240 4.102 4.340 0.004 0.000 0.216 132 L C 2.324 179.127 176.870 -0.112 0.000 1.114 132 L CA 1.229 56.054 54.840 -0.025 0.000 0.777 132 L CB -0.502 41.556 42.059 -0.003 0.000 0.910 132 L HN 0.282 nan 8.230 nan 0.000 0.440 133 K N -0.522 119.664 120.400 -0.356 0.000 2.442 133 K HA -0.072 4.250 4.320 0.004 0.000 0.198 133 K C 0.936 177.040 176.600 -0.826 0.000 1.042 133 K CA 0.980 56.867 56.287 -0.667 0.000 0.958 133 K CB 0.117 32.012 32.500 -1.008 0.000 0.766 133 K HN 0.259 nan 8.250 nan 0.000 0.474 134 F N -0.844 119.117 119.950 0.018 0.000 2.817 134 F HA 0.162 4.691 4.527 0.004 0.000 0.333 134 F C 2.050 177.814 175.800 -0.060 0.000 1.085 134 F CA -0.637 57.351 58.000 -0.020 0.000 1.170 134 F CB -0.183 38.800 39.000 -0.029 0.000 1.066 134 F HN -0.098 nan 8.300 nan 0.000 0.564 135 Q N 1.778 121.600 119.800 0.036 0.000 2.061 135 Q HA -0.222 4.120 4.340 0.004 0.000 0.204 135 Q C 1.872 177.786 176.000 -0.143 0.000 0.984 135 Q CA 2.165 57.925 55.803 -0.071 0.000 0.846 135 Q CB 0.015 28.734 28.738 -0.031 0.000 0.902 135 Q HN 0.365 nan 8.270 nan 0.000 0.421 136 K N 0.160 120.541 120.400 -0.032 0.000 2.074 136 K HA -0.224 4.099 4.320 0.004 0.000 0.209 136 K C 2.072 178.639 176.600 -0.054 0.000 1.048 136 K CA 1.899 58.184 56.287 -0.004 0.000 0.926 136 K CB -0.128 32.401 32.500 0.049 0.000 0.713 136 K HN 0.538 nan 8.250 nan 0.000 0.444 137 E N 0.543 120.725 120.200 -0.031 0.000 2.112 137 E HA -0.120 4.232 4.350 0.004 0.000 0.190 137 E C 1.962 178.513 176.600 -0.081 0.000 0.979 137 E CA 0.452 56.835 56.400 -0.029 0.000 0.814 137 E CB -0.102 29.609 29.700 0.019 0.000 0.762 137 E HN 0.191 nan 8.360 nan 0.000 0.460 138 R N 0.519 120.954 120.500 -0.108 0.000 2.115 138 R HA 0.031 4.373 4.340 0.004 0.000 0.230 138 R C 1.893 178.029 176.300 -0.274 0.000 1.111 138 R CA 1.080 57.090 56.100 -0.150 0.000 0.976 138 R CB 0.100 30.326 30.300 -0.123 0.000 0.870 138 R HN 0.035 nan 8.270 nan 0.000 0.445 139 K N -1.142 118.961 120.400 -0.494 0.000 2.348 139 K HA 0.142 4.465 4.320 0.004 0.000 0.194 139 K C 0.809 177.074 176.600 -0.558 0.000 1.052 139 K CA 0.782 56.576 56.287 -0.821 0.000 1.004 139 K CB 0.871 32.096 32.500 -2.125 0.000 0.873 139 K HN 0.308 nan 8.250 nan 0.000 0.523 140 G N 2.106 110.719 108.800 -0.312 0.000 2.289 140 G HA2 -0.171 3.792 3.960 0.004 0.000 0.280 140 G HA3 -0.171 3.792 3.960 0.004 0.000 0.280 140 G C -0.704 174.276 174.900 0.133 0.000 1.089 140 G CA -0.134 44.929 45.100 -0.063 0.000 0.939 140 G HN 0.032 nan 8.290 nan 0.000 0.499 141 W N -0.835 120.454 121.300 -0.019 0.000 2.719 141 W HA 0.638 5.301 4.660 0.004 0.000 0.352 141 W C 0.980 177.481 176.519 -0.030 0.000 1.085 141 W CA -1.553 55.771 57.345 -0.036 0.000 1.187 141 W CB 1.144 30.571 29.460 -0.055 0.000 1.417 141 W HN 0.058 nan 8.180 nan 0.000 0.557 142 K N 0.543 121.058 120.400 0.193 0.000 2.166 142 K HA 0.134 4.456 4.320 0.004 0.000 0.201 142 K C 1.331 177.988 176.600 0.096 0.000 1.052 142 K CA 0.705 57.048 56.287 0.095 0.000 0.969 142 K CB 0.067 32.580 32.500 0.022 0.000 0.761 142 K HN 0.494 nan 8.250 nan 0.000 0.459 143 G N 0.745 109.595 108.800 0.084 0.000 2.509 143 G HA2 0.415 4.377 3.960 0.004 0.000 0.269 143 G HA3 0.415 4.377 3.960 0.004 0.000 0.269 143 G C -0.475 174.505 174.900 0.134 0.000 1.416 143 G CA -0.474 44.661 45.100 0.059 0.000 1.052 143 G HN -0.066 nan 8.290 nan 0.000 0.542 144 I N -0.295 120.322 120.570 0.079 0.000 2.730 144 I HA 0.478 4.650 4.170 0.004 0.000 0.298 144 I C -1.301 174.845 176.117 0.049 0.000 1.089 144 I CA -0.606 60.767 61.300 0.121 0.000 1.041 144 I CB 1.825 39.880 38.000 0.090 0.000 1.235 144 I HN 0.312 nan 8.210 nan 0.000 0.423 145 L N 6.306 127.596 121.223 0.112 0.000 2.438 145 L HA 0.696 5.039 4.340 0.004 0.000 0.270 145 L C -1.269 175.637 176.870 0.060 0.000 0.972 145 L CA -0.376 54.480 54.840 0.028 0.000 0.831 145 L CB 1.857 43.884 42.059 -0.054 0.000 1.273 145 L HN 0.280 nan 8.230 nan 0.000 0.405 146 V N 4.490 124.419 119.914 0.025 0.000 2.769 146 V HA 0.695 4.817 4.120 0.004 0.000 0.312 146 V C -0.432 175.687 176.094 0.042 0.000 1.061 146 V CA -0.865 61.454 62.300 0.031 0.000 0.931 146 V CB 2.066 33.892 31.823 0.005 0.000 1.010 146 V HN 0.613 nan 8.190 nan 0.000 0.433 147 K N 2.460 122.897 120.400 0.061 0.000 2.328 147 K HA 0.576 4.899 4.320 0.004 0.000 0.246 147 K C -1.029 175.608 176.600 0.062 0.000 0.955 147 K CA -0.667 55.662 56.287 0.070 0.000 0.817 147 K CB 2.384 34.946 32.500 0.103 0.000 1.208 147 K HN 0.731 nan 8.250 nan 0.000 0.432 148 N N 2.029 120.763 118.700 0.056 0.000 2.314 148 N HA 0.410 5.153 4.740 0.004 0.000 0.304 148 N C -2.473 173.069 175.510 0.053 0.000 1.073 148 N CA -1.422 51.658 53.050 0.050 0.000 0.822 148 N CB 1.994 40.505 38.487 0.040 0.000 1.280 148 N HN 0.271 nan 8.380 nan 0.000 0.489 149 P HA -0.053 nan 4.420 nan 0.000 0.277 149 P C -0.934 176.393 177.300 0.046 0.000 1.276 149 P CA -0.352 62.778 63.100 0.050 0.000 0.788 149 P CB 0.583 32.312 31.700 0.049 0.000 1.114 150 N N -0.096 118.630 118.700 0.044 0.000 2.458 150 N HA -0.055 4.688 4.740 0.004 0.000 0.258 150 N C 1.477 177.020 175.510 0.055 0.000 1.219 150 N CA -0.097 52.980 53.050 0.044 0.000 0.902 150 N CB 0.494 39.002 38.487 0.035 0.000 1.076 150 N HN 0.515 nan 8.380 nan 0.000 0.455 151 C N 2.087 121.427 119.300 0.066 0.000 2.403 151 C HA -0.115 4.347 4.460 0.004 0.000 0.277 151 C C 2.354 177.414 174.990 0.117 0.000 1.248 151 C CA 1.233 60.296 59.018 0.074 0.000 1.762 151 C CB -1.600 26.176 27.740 0.059 0.000 2.014 151 C HN 0.788 nan 8.230 nan 0.000 0.486 152 T N 1.610 116.256 114.554 0.154 0.000 2.857 152 T HA 0.099 4.451 4.350 0.004 0.000 0.266 152 T C 2.377 177.120 174.700 0.072 0.000 1.048 152 T CA 1.676 63.861 62.100 0.141 0.000 1.139 152 T CB -0.542 68.364 68.868 0.063 0.000 0.874 152 T HN 0.779 nan 8.240 nan 0.000 0.455 153 A N 1.702 124.553 122.820 0.052 0.000 1.902 153 A HA 0.132 4.455 4.320 0.004 0.000 0.217 153 A C 2.664 180.272 177.584 0.040 0.000 1.181 153 A CA 1.812 53.872 52.037 0.037 0.000 0.623 153 A CB -1.153 17.868 19.000 0.034 0.000 0.818 153 A HN 0.498 nan 8.150 nan 0.000 0.443 154 A N -0.175 122.673 122.820 0.047 0.000 1.940 154 A HA -0.119 4.203 4.320 0.004 0.000 0.219 154 A C 2.120 179.731 177.584 0.045 0.000 1.176 154 A CA 1.678 53.742 52.037 0.045 0.000 0.631 154 A CB -0.565 18.461 19.000 0.044 0.000 0.814 154 A HN 0.529 nan 8.150 nan 0.000 0.446 155 I N -1.066 119.533 120.570 0.049 0.000 2.333 155 I HA -0.184 3.989 4.170 0.004 0.000 0.246 155 I C 2.372 178.510 176.117 0.035 0.000 1.106 155 I CA 0.812 62.139 61.300 0.046 0.000 1.411 155 I CB -0.275 37.762 38.000 0.062 0.000 1.082 155 I HN 0.223 nan 8.210 nan 0.000 0.420 156 M N 0.582 120.201 119.600 0.032 0.000 2.296 156 M HA -0.114 4.368 4.480 0.004 0.000 0.265 156 M C 2.622 178.922 176.300 0.001 0.000 1.064 156 M CA 1.613 56.922 55.300 0.015 0.000 1.109 156 M CB -1.409 31.199 32.600 0.014 0.000 1.396 156 M HN 0.346 nan 8.290 nan 0.000 0.430 157 S N -0.001 115.703 115.700 0.007 0.000 2.402 157 S HA -0.095 4.377 4.470 0.004 0.000 0.229 157 S C 1.954 176.536 174.600 -0.030 0.000 1.021 157 S CA 0.771 58.967 58.200 -0.007 0.000 0.974 157 S CB -0.291 62.916 63.200 0.011 0.000 0.800 157 S HN 0.283 nan 8.310 nan 0.000 0.484 158 M N 2.561 122.156 119.600 -0.009 0.000 2.082 158 M HA -0.017 4.465 4.480 0.004 0.000 0.258 158 M C -0.488 175.729 176.300 -0.139 0.000 1.071 158 M CA 1.509 56.797 55.300 -0.022 0.000 1.103 158 M CB -2.832 29.792 32.600 0.040 0.000 1.307 158 M HN 0.308 nan 8.290 nan 0.000 0.409 159 P HA -0.032 nan 4.420 nan 0.000 0.222 159 P C 1.869 179.079 177.300 -0.149 0.000 1.153 159 P CA 1.240 64.265 63.100 -0.124 0.000 0.798 159 P CB -0.125 31.540 31.700 -0.058 0.000 0.796 160 I N -0.086 120.415 120.570 -0.114 0.000 2.252 160 I HA -0.227 3.945 4.170 0.004 0.000 0.245 160 I C 2.666 178.702 176.117 -0.136 0.000 1.102 160 I CA 1.284 62.526 61.300 -0.097 0.000 1.385 160 I CB -0.558 37.407 38.000 -0.057 0.000 1.064 160 I HN -0.067 nan 8.210 nan 0.000 0.414 161 K N 2.208 122.495 120.400 -0.189 0.000 1.987 161 K HA -0.166 4.156 4.320 0.004 0.000 0.216 161 K C -0.692 175.752 176.600 -0.260 0.000 1.051 161 K CA 2.031 58.190 56.287 -0.214 0.000 0.942 161 K CB -1.602 30.746 32.500 -0.254 0.000 0.722 161 K HN 0.149 nan 8.250 nan 0.000 0.444 162 P HA -0.103 nan 4.420 nan 0.000 0.231 162 P C 0.266 177.476 177.300 -0.149 0.000 1.158 162 P CA 1.180 64.092 63.100 -0.313 0.000 0.763 162 P CB 0.063 31.488 31.700 -0.459 0.000 0.805 163 L N -1.507 119.632 121.223 -0.141 0.000 3.014 163 L HA 0.207 4.549 4.340 0.004 0.000 0.263 163 L C 1.943 178.774 176.870 -0.064 0.000 1.207 163 L CA -0.417 54.372 54.840 -0.085 0.000 1.017 163 L CB -0.199 41.812 42.059 -0.080 0.000 1.360 163 L HN -0.185 nan 8.230 nan 0.000 0.560 164 I N 1.090 121.622 120.570 -0.065 0.000 2.315 164 I HA -0.302 3.871 4.170 0.004 0.000 0.251 164 I C 2.340 178.442 176.117 -0.025 0.000 1.125 164 I CA 1.787 63.062 61.300 -0.041 0.000 1.392 164 I CB 0.025 38.004 38.000 -0.034 0.000 1.065 164 I HN 0.384 nan 8.210 nan 0.000 0.424 165 E N 0.563 120.750 120.200 -0.023 0.000 2.051 165 E HA -0.225 4.128 4.350 0.004 0.000 0.192 165 E C 2.272 178.862 176.600 -0.017 0.000 0.991 165 E CA 2.060 58.451 56.400 -0.015 0.000 0.799 165 E CB -0.296 29.397 29.700 -0.012 0.000 0.748 165 E HN 0.699 nan 8.360 nan 0.000 0.449 166 I N -2.019 118.537 120.570 -0.023 0.000 2.500 166 I HA 0.091 4.263 4.170 0.004 0.000 0.252 166 I C 2.389 178.497 176.117 -0.016 0.000 1.142 166 I CA 0.975 62.262 61.300 -0.022 0.000 1.451 166 I CB -0.345 37.635 38.000 -0.033 0.000 1.093 166 I HN 0.026 nan 8.210 nan 0.000 0.430 167 A N 1.384 124.192 122.820 -0.020 0.000 2.067 167 A HA -0.092 4.230 4.320 0.004 0.000 0.219 167 A C 2.296 179.874 177.584 -0.010 0.000 1.158 167 A CA 2.185 54.213 52.037 -0.016 0.000 0.661 167 A CB -1.081 17.905 19.000 -0.024 0.000 0.801 167 A HN 0.511 nan 8.150 nan 0.000 0.452 168 T N -0.135 114.413 114.554 -0.010 0.000 2.770 168 T HA -0.042 4.311 4.350 0.004 0.000 0.263 168 T C 1.520 176.219 174.700 -0.003 0.000 1.039 168 T CA 1.332 63.429 62.100 -0.005 0.000 1.142 168 T CB -0.124 68.741 68.868 -0.005 0.000 0.868 168 T HN 0.464 nan 8.240 nan 0.000 0.435 169 K N 1.482 121.881 120.400 -0.003 0.000 2.589 169 K HA 0.229 4.551 4.320 0.004 0.000 0.204 169 K C -0.283 176.319 176.600 0.003 0.000 1.029 169 K CA -0.022 56.264 56.287 -0.000 0.000 1.177 169 K CB 0.221 32.721 32.500 -0.000 0.000 0.902 169 K HN 0.143 nan 8.250 nan 0.000 0.501 170 S N 0.300 116.002 115.700 0.003 0.000 2.607 170 S HA 0.277 4.749 4.470 0.004 0.000 0.273 170 S C -1.095 173.508 174.600 0.005 0.000 1.148 170 S CA -1.070 57.133 58.200 0.006 0.000 0.833 170 S CB 2.038 65.244 63.200 0.010 0.000 1.130 170 S HN 0.011 nan 8.310 nan 0.000 0.470 171 K N 1.504 121.908 120.400 0.007 0.000 2.270 171 K HA 0.498 4.821 4.320 0.004 0.000 0.276 171 K C -1.275 175.329 176.600 0.006 0.000 1.023 171 K CA -0.035 56.255 56.287 0.005 0.000 0.955 171 K CB -0.009 32.494 32.500 0.005 0.000 0.975 171 K HN 0.578 nan 8.250 nan 0.000 0.471 172 I N 5.497 126.070 120.570 0.004 0.000 2.436 172 I HA 0.326 4.498 4.170 0.004 0.000 0.289 172 I C -0.571 175.548 176.117 0.003 0.000 1.010 172 I CA -0.936 60.366 61.300 0.004 0.000 1.098 172 I CB 1.445 39.446 38.000 0.001 0.000 1.266 172 I HN 0.374 nan 8.210 nan 0.000 0.434 173 I N 7.274 127.846 120.570 0.004 0.000 2.354 173 I HA 0.505 4.678 4.170 0.004 0.000 0.292 173 I C -0.142 175.976 176.117 0.002 0.000 0.989 173 I CA -0.463 60.839 61.300 0.003 0.000 1.188 173 I CB 1.539 39.541 38.000 0.003 0.000 1.342 173 I HN 0.439 nan 8.210 nan 0.000 0.457 174 I N 4.987 125.558 120.570 0.001 0.000 2.533 174 I HA 0.344 4.516 4.170 0.004 0.000 0.290 174 I C -0.347 175.768 176.117 -0.004 0.000 1.056 174 I CA -0.352 60.947 61.300 -0.001 0.000 1.057 174 I CB 2.564 40.563 38.000 -0.002 0.000 1.240 174 I HN 0.433 nan 8.210 nan 0.000 0.423 175 T N 3.076 117.627 114.554 -0.005 0.000 2.792 175 T HA 0.518 4.871 4.350 0.004 0.000 0.280 175 T C -0.171 174.519 174.700 -0.016 0.000 0.990 175 T CA -0.610 61.484 62.100 -0.010 0.000 0.960 175 T CB 1.583 70.446 68.868 -0.007 0.000 0.939 175 T HN 0.717 nan 8.240 nan 0.000 0.439 176 T N 1.084 115.620 114.554 -0.030 0.000 2.856 176 T HA 0.735 5.088 4.350 0.004 0.000 0.283 176 T C -0.914 173.745 174.700 -0.069 0.000 1.008 176 T CA -0.948 61.123 62.100 -0.048 0.000 0.997 176 T CB 0.796 69.623 68.868 -0.068 0.000 0.992 176 T HN 0.171 nan 8.240 nan 0.000 0.454 177 L N 2.995 124.179 121.223 -0.065 0.000 2.316 177 L HA 0.440 4.782 4.340 0.004 0.000 0.280 177 L C 0.116 176.920 176.870 -0.110 0.000 1.006 177 L CA -0.261 54.538 54.840 -0.068 0.000 0.836 177 L CB 1.521 43.563 42.059 -0.027 0.000 1.221 177 L HN 0.722 nan 8.230 nan 0.000 0.418 178 Q N 2.073 121.748 119.800 -0.208 0.000 2.293 178 Q HA 0.787 5.129 4.340 0.004 0.000 0.261 178 Q C -0.093 175.856 176.000 -0.084 0.000 0.960 178 Q CA -0.900 54.659 55.803 -0.406 0.000 0.882 178 Q CB 2.275 30.508 28.738 -0.842 0.000 1.275 178 Q HN 0.716 nan 8.270 nan 0.000 0.445 179 A N 1.941 124.884 122.820 0.205 0.000 2.492 179 A HA 0.055 4.377 4.320 0.004 0.000 0.236 179 A C 1.170 178.822 177.584 0.113 0.000 1.078 179 A CA -0.310 51.825 52.037 0.163 0.000 0.773 179 A CB 0.276 19.378 19.000 0.171 0.000 1.023 179 A HN 0.702 nan 8.150 nan 0.000 0.504 180 V N 1.773 121.711 119.914 0.040 0.000 2.407 180 V HA -0.242 3.881 4.120 0.004 0.000 0.248 180 V C 2.815 178.918 176.094 0.015 0.000 1.055 180 V CA 2.693 64.996 62.300 0.004 0.000 1.049 180 V CB -0.991 30.811 31.823 -0.035 0.000 0.662 180 V HN 1.149 nan 8.190 nan 0.000 0.455 181 S N 1.015 116.729 115.700 0.024 0.000 2.440 181 S HA -0.138 4.335 4.470 0.004 0.000 0.238 181 S C 2.046 176.679 174.600 0.054 0.000 1.010 181 S CA 1.307 59.524 58.200 0.029 0.000 0.972 181 S CB -0.953 62.262 63.200 0.024 0.000 0.774 181 S HN 0.580 nan 8.310 nan 0.000 0.501 182 G N 0.989 109.858 108.800 0.115 0.000 2.501 182 G HA2 0.161 4.123 3.960 0.004 0.000 0.220 182 G HA3 0.161 4.123 3.960 0.004 0.000 0.220 182 G C 1.009 175.957 174.900 0.080 0.000 1.114 182 G CA 0.525 45.719 45.100 0.157 0.000 0.757 182 G HN 0.885 nan 8.290 nan 0.000 0.559 183 A N -0.358 122.489 122.820 0.046 0.000 2.610 183 A HA 0.631 4.954 4.320 0.004 0.000 0.286 183 A C 1.182 178.782 177.584 0.027 0.000 1.306 183 A CA 0.838 52.887 52.037 0.020 0.000 0.942 183 A CB -0.476 18.522 19.000 -0.002 0.000 1.112 183 A HN 1.682 nan 8.150 nan 0.000 0.527 184 G N -1.501 107.325 108.800 0.043 0.000 2.795 184 G HA2 -0.278 3.684 3.960 0.004 0.000 0.664 184 G HA3 -0.278 3.684 3.960 0.004 0.000 0.664 184 G C 0.258 175.210 174.900 0.086 0.000 1.381 184 G CA 0.103 45.244 45.100 0.068 0.000 0.853 184 G HN 0.627 nan 8.290 nan 0.000 0.545 185 Y N 0.889 121.184 120.300 -0.010 0.000 2.200 185 Y HA 0.015 4.566 4.550 0.003 0.000 0.290 185 Y C 2.415 178.316 175.900 0.002 0.000 1.137 185 Y CA 2.530 60.623 58.100 -0.011 0.000 1.163 185 Y CB 0.080 38.525 38.460 -0.025 0.000 0.988 185 Y HN 0.540 nan 8.280 nan 0.000 0.518 186 N N -0.945 117.812 118.700 0.096 0.000 2.275 186 N HA 0.155 4.897 4.740 0.004 0.000 0.236 186 N C 1.429 176.950 175.510 0.017 0.000 1.154 186 N CA 0.341 53.413 53.050 0.036 0.000 0.866 186 N CB 0.469 39.009 38.487 0.089 0.000 1.093 186 N HN 0.295 nan 8.380 nan 0.000 0.515 187 G N 0.575 109.379 108.800 0.007 0.000 2.403 187 G HA2 0.022 3.985 3.960 0.004 0.000 0.216 187 G HA3 0.022 3.985 3.960 0.004 0.000 0.216 187 G C 0.472 175.369 174.900 -0.005 0.000 1.154 187 G CA 0.524 45.627 45.100 0.005 0.000 0.784 187 G HN 0.189 nan 8.290 nan 0.000 0.538 188 I N 0.991 121.549 120.570 -0.020 0.000 2.465 188 I HA 0.315 4.487 4.170 0.004 0.000 0.291 188 I C 0.154 176.263 176.117 -0.012 0.000 1.014 188 I CA -0.859 60.430 61.300 -0.019 0.000 1.093 188 I CB 2.385 40.366 38.000 -0.031 0.000 1.267 188 I HN 0.068 nan 8.210 nan 0.000 0.431 189 S N 4.540 120.244 115.700 0.006 0.000 2.617 189 S HA 0.259 4.731 4.470 0.004 0.000 0.269 189 S C 0.846 175.484 174.600 0.064 0.000 1.292 189 S CA -0.348 57.877 58.200 0.042 0.000 1.010 189 S CB 0.928 64.157 63.200 0.048 0.000 0.944 189 S HN 0.614 nan 8.310 nan 0.000 0.536 190 F N 1.858 121.786 119.950 -0.038 0.000 2.095 190 F HA -0.100 4.430 4.527 0.004 0.000 0.298 190 F C 2.226 178.012 175.800 -0.023 0.000 1.104 190 F CA 1.784 59.763 58.000 -0.035 0.000 1.232 190 F CB -0.362 38.620 39.000 -0.030 0.000 0.987 190 F HN 0.467 nan 8.300 nan 0.000 0.475 191 M N 0.355 120.005 119.600 0.084 0.000 2.149 191 M HA -0.166 4.317 4.480 0.004 0.000 0.261 191 M C 2.478 178.724 176.300 -0.090 0.000 1.064 191 M CA 1.676 56.968 55.300 -0.013 0.000 1.102 191 M CB -2.093 30.545 32.600 0.063 0.000 1.369 191 M HN 0.332 nan 8.290 nan 0.000 0.408 192 A N -0.879 121.905 122.820 -0.060 0.000 2.014 192 A HA -0.066 4.257 4.320 0.004 0.000 0.218 192 A C 2.158 179.685 177.584 -0.095 0.000 1.163 192 A CA 1.349 53.350 52.037 -0.060 0.000 0.652 192 A CB -0.368 18.615 19.000 -0.029 0.000 0.808 192 A HN 0.434 nan 8.150 nan 0.000 0.449 193 I N -1.022 119.458 120.570 -0.149 0.000 4.124 193 I HA 0.146 4.319 4.170 0.004 0.000 0.311 193 I C 0.477 176.457 176.117 -0.228 0.000 1.259 193 I CA 0.204 61.411 61.300 -0.154 0.000 1.315 193 I CB 0.251 38.184 38.000 -0.112 0.000 1.223 193 I HN 0.292 nan 8.210 nan 0.000 0.441 194 E N 1.580 121.528 120.200 -0.420 0.000 2.608 194 E HA 0.241 4.593 4.350 0.004 0.000 0.259 194 E C 1.181 177.606 176.600 -0.292 0.000 0.951 194 E CA 0.780 56.877 56.400 -0.504 0.000 0.945 194 E CB -0.401 28.582 29.700 -1.194 0.000 0.916 194 E HN 0.489 nan 8.360 nan 0.000 0.477 195 G N 2.825 111.514 108.800 -0.184 0.000 2.233 195 G HA2 -0.373 3.589 3.960 0.004 0.000 0.270 195 G HA3 -0.373 3.589 3.960 0.004 0.000 0.270 195 G C 0.047 174.890 174.900 -0.094 0.000 1.011 195 G CA 0.701 45.735 45.100 -0.110 0.000 0.762 195 G HN 0.872 nan 8.290 nan 0.000 0.511 196 N N -1.105 117.533 118.700 -0.102 0.000 2.629 196 N HA 0.798 5.541 4.740 0.004 0.000 0.279 196 N C -0.835 174.639 175.510 -0.060 0.000 1.344 196 N CA -0.859 52.145 53.050 -0.077 0.000 0.789 196 N CB 1.372 39.807 38.487 -0.086 0.000 1.508 196 N HN 0.105 nan 8.380 nan 0.000 0.516 197 I N 1.295 121.839 120.570 -0.044 0.000 2.571 197 I HA 0.408 4.581 4.170 0.004 0.000 0.289 197 I C -0.959 175.146 176.117 -0.020 0.000 1.115 197 I CA -0.487 60.794 61.300 -0.032 0.000 1.045 197 I CB 1.981 39.967 38.000 -0.025 0.000 1.238 197 I HN 0.406 nan 8.210 nan 0.000 0.424 198 I N 7.976 128.538 120.570 -0.014 0.000 2.405 198 I HA 0.267 4.439 4.170 0.004 0.000 0.280 198 I C -1.850 174.284 176.117 0.028 0.000 1.027 198 I CA -1.525 59.782 61.300 0.011 0.000 1.161 198 I CB 1.589 39.595 38.000 0.010 0.000 1.300 198 I HN 0.322 nan 8.210 nan 0.000 0.463 199 P HA -0.047 nan 4.420 nan 0.000 0.269 199 P C -0.932 176.461 177.300 0.155 0.000 1.601 199 P CA 0.466 63.602 63.100 0.061 0.000 0.831 199 P CB -0.388 31.336 31.700 0.039 0.000 1.688 200 Y N 0.282 120.562 120.300 -0.034 0.000 2.424 200 Y HA 0.456 5.009 4.550 0.004 0.000 0.323 200 Y C -1.674 174.206 175.900 -0.033 0.000 1.174 200 Y CA -1.385 56.696 58.100 -0.031 0.000 1.060 200 Y CB 1.264 39.709 38.460 -0.025 0.000 1.314 200 Y HN -0.155 nan 8.280 nan 0.000 0.439 201 I N 6.392 126.516 120.570 -0.744 0.000 2.560 201 I HA 0.211 4.384 4.170 0.004 0.000 0.278 201 I C -0.830 174.810 176.117 -0.795 0.000 1.089 201 I CA -1.128 59.788 61.300 -0.640 0.000 1.086 201 I CB 1.577 39.395 38.000 -0.303 0.000 1.202 201 I HN 0.523 nan 8.210 nan 0.000 0.471 202 K N 5.035 124.859 120.400 -0.961 0.000 2.427 202 K HA -0.080 4.242 4.320 0.004 0.000 0.262 202 K C 1.270 177.745 176.600 -0.209 0.000 1.094 202 K CA 1.717 57.717 56.287 -0.478 0.000 1.184 202 K CB -0.249 32.142 32.500 -0.181 0.000 0.796 202 K HN 0.885 nan 8.250 nan 0.000 0.491 203 G N 3.146 111.891 108.800 -0.092 0.000 2.228 203 G HA2 -0.424 3.539 3.960 0.004 0.000 0.270 203 G HA3 -0.424 3.539 3.960 0.004 0.000 0.270 203 G C 0.968 175.838 174.900 -0.050 0.000 0.976 203 G CA 0.845 45.923 45.100 -0.037 0.000 0.636 203 G HN 0.729 nan 8.290 nan 0.000 0.542 204 E N 0.865 121.006 120.200 -0.099 0.000 2.058 204 E HA -0.095 4.257 4.350 0.004 0.000 0.194 204 E C 2.287 178.861 176.600 -0.043 0.000 0.997 204 E CA 2.164 58.516 56.400 -0.080 0.000 0.801 204 E CB -0.338 29.287 29.700 -0.125 0.000 0.746 204 E HN 0.750 nan 8.360 nan 0.000 0.450 205 E N -0.242 119.940 120.200 -0.030 0.000 2.110 205 E HA -0.190 4.162 4.350 0.004 0.000 0.193 205 E C 1.723 178.325 176.600 0.003 0.000 0.988 205 E CA 1.227 57.623 56.400 -0.006 0.000 0.804 205 E CB -0.136 29.574 29.700 0.017 0.000 0.745 205 E HN 0.344 nan 8.360 nan 0.000 0.458 206 D N 0.849 121.253 120.400 0.007 0.000 2.123 206 D HA -0.107 4.535 4.640 0.004 0.000 0.200 206 D C 1.671 177.975 176.300 0.006 0.000 0.976 206 D CA 1.055 55.060 54.000 0.009 0.000 0.831 206 D CB 0.194 41.002 40.800 0.012 0.000 0.974 206 D HN -0.045 nan 8.370 nan 0.000 0.469 207 K N -0.136 120.265 120.400 0.001 0.000 2.063 207 K HA -0.095 4.228 4.320 0.004 0.000 0.208 207 K C 2.212 178.817 176.600 0.010 0.000 1.048 207 K CA 1.086 57.376 56.287 0.005 0.000 0.928 207 K CB -0.089 32.412 32.500 0.001 0.000 0.713 207 K HN 0.275 nan 8.250 nan 0.000 0.442 208 I N 0.814 121.387 120.570 0.005 0.000 2.202 208 I HA -0.277 3.896 4.170 0.004 0.000 0.242 208 I C 2.533 178.656 176.117 0.010 0.000 1.091 208 I CA 1.097 62.402 61.300 0.008 0.000 1.368 208 I CB -0.425 37.576 38.000 0.001 0.000 1.058 208 I HN 0.163 nan 8.210 nan 0.000 0.410 209 A N 1.118 123.943 122.820 0.008 0.000 1.858 209 A HA -0.234 4.088 4.320 0.004 0.000 0.216 209 A C 2.330 179.921 177.584 0.012 0.000 1.190 209 A CA 1.825 53.868 52.037 0.009 0.000 0.617 209 A CB -0.522 18.483 19.000 0.008 0.000 0.827 209 A HN 0.306 nan 8.150 nan 0.000 0.443 210 K N -0.355 120.052 120.400 0.013 0.000 2.026 210 K HA -0.135 4.187 4.320 0.004 0.000 0.208 210 K C 2.018 178.632 176.600 0.023 0.000 1.048 210 K CA 1.590 57.886 56.287 0.016 0.000 0.929 210 K CB -0.213 32.295 32.500 0.014 0.000 0.713 210 K HN 0.599 nan 8.250 nan 0.000 0.439 211 E N 0.598 120.813 120.200 0.025 0.000 2.110 211 E HA -0.181 4.171 4.350 0.004 0.000 0.193 211 E C 1.886 178.507 176.600 0.035 0.000 0.988 211 E CA 0.679 57.100 56.400 0.034 0.000 0.804 211 E CB -0.010 29.711 29.700 0.034 0.000 0.745 211 E HN 0.070 nan 8.360 nan 0.000 0.458 212 L N 0.810 122.049 121.223 0.026 0.000 2.131 212 L HA -0.149 4.193 4.340 0.004 0.000 0.210 212 L C 2.346 179.232 176.870 0.026 0.000 1.092 212 L CA 1.697 56.551 54.840 0.022 0.000 0.759 212 L CB -0.822 41.245 42.059 0.013 0.000 0.903 212 L HN 0.077 nan 8.230 nan 0.000 0.435 213 T N -1.011 113.559 114.554 0.026 0.000 2.684 213 T HA -0.256 4.096 4.350 0.004 0.000 0.267 213 T C 2.004 176.731 174.700 0.045 0.000 1.036 213 T CA 1.792 63.908 62.100 0.028 0.000 1.148 213 T CB 0.016 68.897 68.868 0.021 0.000 0.863 213 T HN 0.278 nan 8.240 nan 0.000 0.436 214 K N 0.236 120.670 120.400 0.057 0.000 2.137 214 K HA 0.138 4.460 4.320 0.004 0.000 0.202 214 K C 2.271 178.961 176.600 0.150 0.000 1.052 214 K CA 0.559 56.901 56.287 0.091 0.000 0.961 214 K CB -0.149 32.397 32.500 0.078 0.000 0.741 214 K HN 0.265 nan 8.250 nan 0.000 0.452 215 L N 1.205 122.483 121.223 0.092 0.000 2.079 215 L HA -0.176 4.166 4.340 0.004 0.000 0.210 215 L C 1.390 178.270 176.870 0.016 0.000 1.081 215 L CA 1.041 55.913 54.840 0.054 0.000 0.752 215 L CB -0.288 41.790 42.059 0.031 0.000 0.896 215 L HN 0.263 nan 8.230 nan 0.000 0.433 216 N N 0.147 118.869 118.700 0.037 0.000 2.276 216 N HA 0.081 4.824 4.740 0.004 0.000 0.212 216 N C 0.611 176.157 175.510 0.059 0.000 1.127 216 N CA 0.166 53.226 53.050 0.018 0.000 0.834 216 N CB 0.498 38.987 38.487 0.004 0.000 1.014 216 N HN 0.187 nan 8.380 nan 0.000 0.491 217 G N 0.657 109.547 108.800 0.150 0.000 2.572 217 G HA2 0.214 4.176 3.960 0.004 0.000 0.261 217 G HA3 0.214 4.176 3.960 0.004 0.000 0.261 217 G C -0.065 174.970 174.900 0.225 0.000 1.197 217 G CA -0.154 45.043 45.100 0.161 0.000 0.870 217 G HN 0.014 nan 8.290 nan 0.000 0.548 218 K N -0.050 120.415 120.400 0.108 0.000 2.185 218 K HA 0.415 4.737 4.320 0.004 0.000 0.269 218 K C -0.631 175.979 176.600 0.017 0.000 0.987 218 K CA -0.842 55.499 56.287 0.090 0.000 0.865 218 K CB 1.319 33.838 32.500 0.032 0.000 1.090 218 K HN 0.250 nan 8.250 nan 0.000 0.450 219 L N 3.822 125.061 121.223 0.027 0.000 2.342 219 L HA 0.352 4.695 4.340 0.004 0.000 0.285 219 L C -0.812 176.038 176.870 -0.033 0.000 1.095 219 L CA 0.735 55.537 54.840 -0.063 0.000 0.843 219 L CB -0.081 41.975 42.059 -0.006 0.000 1.201 219 L HN 0.766 nan 8.230 nan 0.000 0.445 220 E N 3.992 124.162 120.200 -0.050 0.000 2.241 220 E HA 0.325 4.677 4.350 0.004 0.000 0.263 220 E C -0.626 175.943 176.600 -0.052 0.000 0.882 220 E CA -0.683 55.695 56.400 -0.037 0.000 0.769 220 E CB 0.702 30.383 29.700 -0.031 0.000 1.185 220 E HN 0.656 nan 8.360 nan 0.000 0.415 221 N N 4.412 123.084 118.700 -0.047 0.000 2.681 221 N HA -0.209 4.533 4.740 0.004 0.000 0.259 221 N C -0.967 174.465 175.510 -0.129 0.000 1.066 221 N CA 1.116 54.121 53.050 -0.076 0.000 0.717 221 N CB -1.098 37.345 38.487 -0.073 0.000 0.885 221 N HN 0.742 nan 8.380 nan 0.000 0.547 222 N N -2.079 116.550 118.700 -0.118 0.000 2.741 222 N HA -0.251 4.491 4.740 0.004 0.000 0.251 222 N C -0.526 174.910 175.510 -0.124 0.000 1.112 222 N CA 1.785 54.718 53.050 -0.196 0.000 0.750 222 N CB -1.203 36.899 38.487 -0.642 0.000 1.119 222 N HN 0.943 nan 8.380 nan 0.000 0.561 223 Q N -1.556 118.191 119.800 -0.088 0.000 2.647 223 Q HA 0.532 4.875 4.340 0.004 0.000 0.283 223 Q C -1.099 174.824 176.000 -0.129 0.000 0.943 223 Q CA -0.899 54.847 55.803 -0.096 0.000 0.813 223 Q CB 0.892 29.573 28.738 -0.095 0.000 1.477 223 Q HN 0.135 nan 8.270 nan 0.000 0.393 224 I N 1.774 122.238 120.570 -0.178 0.000 2.471 224 I HA 0.157 4.330 4.170 0.004 0.000 0.286 224 I C -0.204 175.844 176.117 -0.116 0.000 1.079 224 I CA -0.595 60.567 61.300 -0.230 0.000 1.398 224 I CB 0.444 38.245 38.000 -0.332 0.000 1.403 224 I HN 0.458 nan 8.210 nan 0.000 0.530 225 I N 8.805 129.327 120.570 -0.081 0.000 2.297 225 I HA 0.294 4.466 4.170 0.004 0.000 0.291 225 I C -2.094 174.015 176.117 -0.015 0.000 1.033 225 I CA -2.592 58.685 61.300 -0.038 0.000 1.253 225 I CB 0.443 38.428 38.000 -0.025 0.000 1.396 225 I HN 0.184 nan 8.210 nan 0.000 0.476 226 P HA 0.042 nan 4.420 nan 0.000 0.265 226 P C -0.256 177.053 177.300 0.014 0.000 1.187 226 P CA -0.049 63.057 63.100 0.009 0.000 0.766 226 P CB 0.650 32.352 31.700 0.004 0.000 0.820 227 A N 2.861 125.696 122.820 0.025 0.000 2.388 227 A HA 0.162 4.485 4.320 0.004 0.000 0.257 227 A C 0.674 178.264 177.584 0.010 0.000 1.095 227 A CA -0.269 51.779 52.037 0.018 0.000 0.791 227 A CB -0.402 18.610 19.000 0.020 0.000 1.029 227 A HN 0.544 nan 8.150 nan 0.000 0.489 228 N N 2.207 120.911 118.700 0.006 0.000 2.892 228 N HA 0.150 4.892 4.740 0.004 0.000 0.300 228 N C -1.025 174.487 175.510 0.003 0.000 1.211 228 N CA 0.307 53.359 53.050 0.003 0.000 1.158 228 N CB -0.792 37.696 38.487 0.001 0.000 1.455 228 N HN 0.535 nan 8.380 nan 0.000 0.524 229 L N 1.516 122.741 121.223 0.004 0.000 2.283 229 L HA 0.246 4.589 4.340 0.004 0.000 0.281 229 L C 0.016 176.888 176.870 0.003 0.000 1.033 229 L CA -0.779 54.063 54.840 0.003 0.000 0.848 229 L CB 0.789 42.850 42.059 0.003 0.000 1.226 229 L HN 0.249 nan 8.230 nan 0.000 0.429 230 D N 2.893 123.295 120.400 0.002 0.000 2.483 230 D HA 0.160 4.803 4.640 0.004 0.000 0.220 230 D C -0.311 175.991 176.300 0.003 0.000 1.173 230 D CA -0.065 53.936 54.000 0.003 0.000 0.964 230 D CB 0.566 41.367 40.800 0.002 0.000 1.046 230 D HN 0.398 nan 8.370 nan 0.000 0.517 231 S N 1.344 117.046 115.700 0.003 0.000 2.500 231 S HA 0.637 5.109 4.470 0.004 0.000 0.301 231 S C -0.148 174.455 174.600 0.004 0.000 1.092 231 S CA -0.905 57.297 58.200 0.003 0.000 1.030 231 S CB 1.793 64.994 63.200 0.002 0.000 1.031 231 S HN 0.155 nan 8.310 nan 0.000 0.483 232 T N 2.392 116.948 114.554 0.004 0.000 2.758 232 T HA 0.596 4.948 4.350 0.004 0.000 0.285 232 T C -0.454 174.248 174.700 0.004 0.000 0.981 232 T CA -0.522 61.581 62.100 0.005 0.000 0.965 232 T CB 1.148 70.019 68.868 0.004 0.000 0.927 232 T HN 0.859 nan 8.240 nan 0.000 0.448 233 V N 3.508 123.426 119.914 0.005 0.000 2.769 233 V HA 0.835 4.958 4.120 0.004 0.000 0.312 233 V C -0.758 175.340 176.094 0.007 0.000 1.061 233 V CA -0.298 62.004 62.300 0.003 0.000 0.931 233 V CB 2.317 34.139 31.823 -0.001 0.000 1.010 233 V HN 0.857 nan 8.190 nan 0.000 0.433 234 T N 4.797 119.353 114.554 0.003 0.000 2.840 234 T HA 0.495 4.847 4.350 0.004 0.000 0.287 234 T C -0.446 174.250 174.700 -0.006 0.000 0.991 234 T CA -0.262 61.844 62.100 0.009 0.000 0.964 234 T CB 1.315 70.189 68.868 0.010 0.000 0.954 234 T HN 0.768 nan 8.240 nan 0.000 0.438 235 S N 3.062 118.756 115.700 -0.010 0.000 2.451 235 S HA 0.684 5.157 4.470 0.004 0.000 0.301 235 S C -0.320 174.255 174.600 -0.042 0.000 1.116 235 S CA -0.654 57.517 58.200 -0.047 0.000 1.093 235 S CB 0.466 63.617 63.200 -0.083 0.000 1.017 235 S HN 0.535 nan 8.310 nan 0.000 0.482 236 I N 2.318 122.851 120.570 -0.061 0.000 2.545 236 I HA 0.480 4.652 4.170 0.004 0.000 0.292 236 I C -0.148 175.923 176.117 -0.077 0.000 1.040 236 I CA -0.812 60.459 61.300 -0.048 0.000 1.068 236 I CB 2.090 40.072 38.000 -0.029 0.000 1.251 236 I HN 0.401 nan 8.210 nan 0.000 0.424 237 R N 5.126 125.587 120.500 -0.064 0.000 2.312 237 R HA 0.719 5.062 4.340 0.004 0.000 0.311 237 R C -1.089 175.181 176.300 -0.050 0.000 1.004 237 R CA -0.428 55.630 56.100 -0.070 0.000 0.902 237 R CB 1.303 31.564 30.300 -0.064 0.000 1.073 237 R HN 0.538 nan 8.270 nan 0.000 0.457 238 V N 1.452 121.340 119.914 -0.045 0.000 3.001 238 V HA 0.696 4.818 4.120 0.004 0.000 0.314 238 V C -2.403 173.671 176.094 -0.034 0.000 1.099 238 V CA -2.360 59.919 62.300 -0.035 0.000 0.989 238 V CB 2.017 33.825 31.823 -0.025 0.000 1.040 238 V HN 0.838 nan 8.190 nan 0.000 0.434 239 P HA 0.238 nan 4.420 nan 0.000 0.226 239 P C -0.144 177.143 177.300 -0.022 0.000 1.783 239 P CA 0.373 63.445 63.100 -0.047 0.000 0.980 239 P CB -0.276 31.381 31.700 -0.073 0.000 1.967 240 T N 0.984 115.534 114.554 -0.008 0.000 2.887 240 T HA 0.329 4.681 4.350 0.004 0.000 0.288 240 T C 1.409 176.115 174.700 0.010 0.000 1.021 240 T CA -0.566 61.539 62.100 0.009 0.000 1.000 240 T CB 2.130 71.013 68.868 0.024 0.000 1.034 240 T HN 0.102 nan 8.240 nan 0.000 0.467 241 R N 0.983 121.488 120.500 0.009 0.000 2.052 241 R HA 0.251 4.594 4.340 0.004 0.000 0.224 241 R C 0.096 176.402 176.300 0.010 0.000 1.149 241 R CA 0.708 56.809 56.100 0.002 0.000 0.962 241 R CB 0.130 30.433 30.300 0.005 0.000 0.856 241 R HN 0.311 nan 8.270 nan 0.000 0.433 242 V N -0.571 119.349 119.914 0.009 0.000 2.841 242 V HA 0.654 4.776 4.120 0.004 0.000 0.310 242 V C -0.497 175.593 176.094 -0.007 0.000 1.090 242 V CA -0.629 61.664 62.300 -0.012 0.000 0.930 242 V CB 1.799 33.608 31.823 -0.022 0.000 1.014 242 V HN 0.665 nan 8.190 nan 0.000 0.425 243 G N 2.486 111.258 108.800 -0.046 0.000 3.438 243 G HA2 0.059 4.021 3.960 0.004 0.000 0.684 243 G HA3 0.059 4.021 3.960 0.004 0.000 0.684 243 G C -1.239 173.748 174.900 0.145 0.000 1.192 243 G CA -0.950 44.147 45.100 -0.006 0.000 1.013 243 G HN 0.832 nan 8.290 nan 0.000 0.530 244 H N 1.424 120.493 119.070 -0.001 0.000 2.488 244 H HA 0.696 5.254 4.556 0.004 0.000 0.322 244 H C 0.655 175.982 175.328 -0.001 0.000 1.078 244 H CA -0.501 55.545 56.048 -0.004 0.000 1.260 244 H CB 1.637 31.397 29.762 -0.004 0.000 1.425 244 H HN 0.774 nan 8.280 nan 0.000 0.471 245 M N 2.023 121.686 119.600 0.104 0.000 2.478 245 M HA 0.621 5.103 4.480 0.004 0.000 0.327 245 M C -0.239 176.078 176.300 0.028 0.000 1.187 245 M CA -0.428 54.904 55.300 0.053 0.000 1.022 245 M CB 1.586 34.205 32.600 0.032 0.000 1.629 245 M HN 0.713 nan 8.290 nan 0.000 0.461 246 G N 2.132 110.945 108.800 0.022 0.000 2.731 246 G HA2 0.608 4.570 3.960 0.004 0.000 0.298 246 G HA3 0.608 4.570 3.960 0.004 0.000 0.298 246 G C -2.057 172.847 174.900 0.008 0.000 1.424 246 G CA -0.510 44.596 45.100 0.011 0.000 1.029 246 G HN 0.621 nan 8.290 nan 0.000 0.518 247 V N 3.199 123.115 119.914 0.003 0.000 2.347 247 V HA 0.450 4.572 4.120 0.004 0.000 0.280 247 V C -0.096 176.000 176.094 0.003 0.000 1.021 247 V CA -0.497 61.805 62.300 0.003 0.000 0.847 247 V CB 1.051 32.875 31.823 0.001 0.000 0.990 247 V HN 0.607 nan 8.190 nan 0.000 0.444 248 I N 4.917 125.489 120.570 0.004 0.000 2.362 248 I HA 0.442 4.614 4.170 0.004 0.000 0.289 248 I C -0.479 175.642 176.117 0.007 0.000 0.994 248 I CA -0.363 60.939 61.300 0.003 0.000 1.158 248 I CB 1.632 39.632 38.000 -0.000 0.000 1.315 248 I HN 0.585 nan 8.210 nan 0.000 0.451 249 N N 7.354 126.058 118.700 0.008 0.000 2.443 249 N HA 0.554 5.296 4.740 0.004 0.000 0.269 249 N C -1.048 174.471 175.510 0.015 0.000 0.985 249 N CA -0.395 52.663 53.050 0.013 0.000 0.921 249 N CB 1.772 40.265 38.487 0.010 0.000 1.195 249 N HN 0.418 nan 8.380 nan 0.000 0.492 250 I N 1.784 122.368 120.570 0.024 0.000 2.339 250 I HA 0.277 4.449 4.170 0.004 0.000 0.290 250 I C -0.296 175.844 176.117 0.039 0.000 0.994 250 I CA -1.156 60.157 61.300 0.022 0.000 1.191 250 I CB 1.529 39.537 38.000 0.014 0.000 1.343 250 I HN 0.131 nan 8.210 nan 0.000 0.458 251 V N 5.804 125.735 119.914 0.030 0.000 2.381 251 V HA 0.086 4.209 4.120 0.004 0.000 0.257 251 V C 0.850 176.971 176.094 0.045 0.000 1.057 251 V CA -0.177 62.145 62.300 0.036 0.000 1.013 251 V CB 0.178 32.013 31.823 0.020 0.000 1.069 251 V HN 0.873 nan 8.190 nan 0.000 0.484 252 T N 1.285 115.888 114.554 0.082 0.000 2.927 252 T HA 0.372 4.724 4.350 0.004 0.000 0.281 252 T C 0.371 175.120 174.700 0.081 0.000 0.998 252 T CA -0.649 61.502 62.100 0.085 0.000 1.019 252 T CB 1.554 70.501 68.868 0.131 0.000 1.061 252 T HN 0.462 nan 8.240 nan 0.000 0.518 253 N N -0.287 118.448 118.700 0.058 0.000 2.305 253 N HA 0.183 4.925 4.740 0.004 0.000 0.248 253 N C -0.158 175.379 175.510 0.046 0.000 1.290 253 N CA -0.498 52.580 53.050 0.046 0.000 0.873 253 N CB 0.565 39.068 38.487 0.026 0.000 1.261 253 N HN 0.880 nan 8.380 nan 0.000 0.504 254 E N -1.521 118.715 120.200 0.060 0.000 2.469 254 E HA 0.503 4.855 4.350 0.004 0.000 0.237 254 E C -0.973 175.671 176.600 0.074 0.000 0.840 254 E CA -0.984 55.442 56.400 0.043 0.000 0.894 254 E CB 0.867 30.572 29.700 0.008 0.000 1.681 254 E HN -0.175 nan 8.360 nan 0.000 0.401 255 R N 0.446 120.963 120.500 0.030 0.000 2.346 255 R HA 0.467 4.809 4.340 0.004 0.000 0.311 255 R C -1.010 175.237 176.300 -0.089 0.000 0.983 255 R CA -0.482 55.637 56.100 0.032 0.000 0.880 255 R CB 0.848 31.163 30.300 0.025 0.000 1.100 255 R HN 0.451 nan 8.270 nan 0.000 0.453 256 I N 3.021 123.457 120.570 -0.224 0.000 2.509 256 I HA 0.287 4.459 4.170 0.004 0.000 0.293 256 I C -0.480 175.538 176.117 -0.165 0.000 1.020 256 I CA -0.784 60.306 61.300 -0.349 0.000 1.088 256 I CB 1.937 39.437 38.000 -0.834 0.000 1.267 256 I HN 0.580 nan 8.210 nan 0.000 0.430 257 N N 5.440 124.080 118.700 -0.101 0.000 2.485 257 N HA 0.158 4.900 4.740 0.004 0.000 0.243 257 N C 0.795 176.285 175.510 -0.034 0.000 0.987 257 N CA -0.321 52.706 53.050 -0.039 0.000 0.940 257 N CB 1.126 39.599 38.487 -0.024 0.000 1.122 257 N HN 0.402 nan 8.380 nan 0.000 0.509 258 I N 3.150 123.716 120.570 -0.007 0.000 2.194 258 I HA -0.243 3.930 4.170 0.004 0.000 0.246 258 I C 2.154 178.273 176.117 0.003 0.000 1.093 258 I CA 1.276 62.579 61.300 0.006 0.000 1.355 258 I CB -0.107 37.912 38.000 0.033 0.000 1.046 258 I HN 0.565 nan 8.210 nan 0.000 0.413 259 E N 0.194 120.397 120.200 0.006 0.000 2.077 259 E HA -0.200 4.153 4.350 0.004 0.000 0.193 259 E C 2.087 178.689 176.600 0.004 0.000 0.989 259 E CA 0.987 57.391 56.400 0.007 0.000 0.800 259 E CB -0.269 29.436 29.700 0.009 0.000 0.746 259 E HN 0.517 nan 8.360 nan 0.000 0.452 260 E N 0.376 120.575 120.200 -0.002 0.000 2.208 260 E HA -0.080 4.272 4.350 0.004 0.000 0.193 260 E C 2.136 178.733 176.600 -0.005 0.000 0.988 260 E CA 0.196 56.594 56.400 -0.003 0.000 0.828 260 E CB -0.040 29.654 29.700 -0.009 0.000 0.763 260 E HN 0.234 nan 8.360 nan 0.000 0.478 261 I N 1.434 121.995 120.570 -0.014 0.000 2.179 261 I HA -0.247 3.925 4.170 0.004 0.000 0.242 261 I C 2.111 178.226 176.117 -0.004 0.000 1.088 261 I CA 1.248 62.537 61.300 -0.018 0.000 1.357 261 I CB -0.751 37.234 38.000 -0.025 0.000 1.051 261 I HN 0.091 nan 8.210 nan 0.000 0.409 262 K N 0.584 120.986 120.400 0.004 0.000 2.057 262 K HA -0.221 4.101 4.320 0.004 0.000 0.207 262 K C 2.149 178.761 176.600 0.020 0.000 1.049 262 K CA 1.304 57.598 56.287 0.012 0.000 0.931 262 K CB -0.193 32.315 32.500 0.014 0.000 0.714 262 K HN 0.230 nan 8.250 nan 0.000 0.440 263 K N 0.814 121.226 120.400 0.019 0.000 2.026 263 K HA -0.133 4.189 4.320 0.004 0.000 0.208 263 K C 2.021 178.643 176.600 0.037 0.000 1.048 263 K CA 1.755 58.057 56.287 0.026 0.000 0.929 263 K CB -0.078 32.434 32.500 0.020 0.000 0.713 263 K HN 0.035 nan 8.250 nan 0.000 0.439 264 T N 2.069 116.641 114.554 0.030 0.000 2.720 264 T HA -0.126 4.227 4.350 0.004 0.000 0.268 264 T C 1.806 176.543 174.700 0.062 0.000 1.037 264 T CA 1.355 63.479 62.100 0.041 0.000 1.144 264 T CB -0.093 68.783 68.868 0.013 0.000 0.864 264 T HN 0.174 nan 8.240 nan 0.000 0.444 265 L N 1.053 122.299 121.223 0.038 0.000 2.072 265 L HA -0.054 4.288 4.340 0.004 0.000 0.205 265 L C 2.720 179.655 176.870 0.108 0.000 1.079 265 L CA 1.239 56.107 54.840 0.046 0.000 0.752 265 L CB -0.528 41.538 42.059 0.013 0.000 0.906 265 L HN 0.371 nan 8.230 nan 0.000 0.436 266 K N -0.253 120.196 120.400 0.082 0.000 2.296 266 K HA -0.096 4.226 4.320 0.004 0.000 0.200 266 K C 0.910 177.565 176.600 0.092 0.000 1.048 266 K CA 1.363 57.699 56.287 0.081 0.000 0.966 266 K CB -0.350 32.180 32.500 0.051 0.000 0.754 266 K HN 0.389 nan 8.250 nan 0.000 0.466 267 N N 0.223 118.985 118.700 0.103 0.000 2.270 267 N HA 0.054 4.797 4.740 0.004 0.000 0.198 267 N C -0.846 174.746 175.510 0.135 0.000 1.117 267 N CA -0.489 52.615 53.050 0.090 0.000 0.845 267 N CB 0.118 38.646 38.487 0.070 0.000 0.980 267 N HN 0.057 nan 8.380 nan 0.000 0.486 268 F N 2.801 122.762 119.950 0.018 0.000 2.504 268 F HA 0.209 4.739 4.527 0.004 0.000 0.369 268 F C 0.070 175.886 175.800 0.026 0.000 1.082 268 F CA -0.120 57.894 58.000 0.024 0.000 1.216 268 F CB 0.267 39.281 39.000 0.024 0.000 1.108 268 F HN -0.214 nan 8.300 nan 0.000 0.554 269 K N 3.923 123.955 120.400 -0.613 0.000 2.495 269 K HA 0.635 4.958 4.320 0.004 0.000 0.268 269 K C -1.172 175.045 176.600 -0.639 0.000 1.008 269 K CA -1.094 54.868 56.287 -0.540 0.000 0.882 269 K CB 2.136 34.502 32.500 -0.223 0.000 1.443 269 K HN 0.591 nan 8.250 nan 0.000 0.447 270 S N -0.332 115.125 115.700 -0.405 0.000 2.757 270 S HA 0.210 4.683 4.470 0.004 0.000 0.285 270 S C 0.148 174.619 174.600 -0.215 0.000 1.196 270 S CA -0.533 57.529 58.200 -0.231 0.000 0.856 270 S CB 0.769 63.864 63.200 -0.174 0.000 1.212 270 S HN 0.592 nan 8.310 nan 0.000 0.516 271 L N 2.884 123.918 121.223 -0.316 0.000 2.010 271 L HA 0.042 4.385 4.340 0.004 0.000 0.219 271 L C -1.274 175.378 176.870 -0.363 0.000 1.077 271 L CA 2.728 57.215 54.840 -0.588 0.000 0.773 271 L CB -1.549 39.633 42.059 -1.462 0.000 0.892 271 L HN 0.566 nan 8.230 nan 0.000 0.436 272 P HA -0.202 nan 4.420 nan 0.000 0.217 272 P C 1.375 178.603 177.300 -0.121 0.000 1.151 272 P CA 1.601 64.612 63.100 -0.148 0.000 0.849 272 P CB 0.006 31.657 31.700 -0.082 0.000 0.787 273 Q N -0.953 118.764 119.800 -0.138 0.000 2.096 273 Q HA -0.087 4.255 4.340 0.004 0.000 0.197 273 Q C 2.292 178.227 176.000 -0.108 0.000 0.964 273 Q CA 1.340 57.076 55.803 -0.112 0.000 0.838 273 Q CB -0.882 27.780 28.738 -0.127 0.000 0.906 273 Q HN 0.353 nan 8.270 nan 0.000 0.444 274 Q N 0.245 119.964 119.800 -0.136 0.000 2.112 274 Q HA -0.151 4.191 4.340 0.004 0.000 0.206 274 Q C 0.948 176.884 176.000 -0.106 0.000 0.987 274 Q CA 1.186 56.917 55.803 -0.121 0.000 0.858 274 Q CB 0.024 28.671 28.738 -0.151 0.000 0.905 274 Q HN 0.111 nan 8.270 nan 0.000 0.420 275 K N 0.565 120.892 120.400 -0.122 0.000 2.410 275 K HA 0.096 4.418 4.320 0.004 0.000 0.200 275 K C -0.453 176.111 176.600 -0.061 0.000 1.023 275 K CA -0.025 56.205 56.287 -0.095 0.000 1.149 275 K CB -0.048 32.384 32.500 -0.114 0.000 0.859 275 K HN 0.241 nan 8.250 nan 0.000 0.514 276 N N 1.518 120.184 118.700 -0.057 0.000 2.686 276 N HA -0.199 4.544 4.740 0.004 0.000 0.261 276 N C -0.891 174.614 175.510 -0.008 0.000 1.001 276 N CA 0.247 53.277 53.050 -0.034 0.000 0.764 276 N CB -1.339 37.130 38.487 -0.029 0.000 0.898 276 N HN 0.236 nan 8.380 nan 0.000 0.544 277 L N 0.571 121.794 121.223 -0.001 0.000 2.426 277 L HA 0.171 4.513 4.340 0.004 0.000 0.271 277 L C -0.470 176.426 176.870 0.045 0.000 1.169 277 L CA -1.668 53.204 54.840 0.054 0.000 0.836 277 L CB 0.398 42.492 42.059 0.059 0.000 1.112 277 L HN 0.108 nan 8.230 nan 0.000 0.465 278 P HA -0.195 nan 4.420 nan 0.000 0.218 278 P C 1.012 178.306 177.300 -0.011 0.000 1.152 278 P CA 1.632 64.715 63.100 -0.029 0.000 0.857 278 P CB 0.088 31.667 31.700 -0.201 0.000 0.787 279 T N -1.439 113.138 114.554 0.038 0.000 3.060 279 T HA 0.333 4.686 4.350 0.004 0.000 0.249 279 T C 1.006 175.719 174.700 0.021 0.000 1.079 279 T CA 0.058 62.179 62.100 0.034 0.000 1.013 279 T CB -0.097 68.806 68.868 0.058 0.000 0.975 279 T HN 0.149 nan 8.240 nan 0.000 0.518 280 A N 3.918 126.747 122.820 0.015 0.000 2.409 280 A HA 0.505 4.828 4.320 0.004 0.000 0.262 280 A C -2.203 175.378 177.584 -0.005 0.000 1.113 280 A CA -1.378 50.660 52.037 0.001 0.000 0.790 280 A CB 0.113 19.103 19.000 -0.018 0.000 1.046 280 A HN 0.119 nan 8.150 nan 0.000 0.496 281 P HA 0.249 nan 4.420 nan 0.000 0.278 281 P C -0.027 177.267 177.300 -0.011 0.000 1.238 281 P CA -0.385 62.715 63.100 -0.000 0.000 0.794 281 P CB 1.212 32.919 31.700 0.013 0.000 0.955 282 K N 0.594 120.988 120.400 -0.010 0.000 2.103 282 K HA -0.128 4.194 4.320 0.004 0.000 0.207 282 K C 1.222 177.813 176.600 -0.016 0.000 1.048 282 K CA 1.561 57.837 56.287 -0.017 0.000 0.930 282 K CB -0.079 32.414 32.500 -0.011 0.000 0.716 282 K HN 0.505 nan 8.250 nan 0.000 0.444 283 Q N -0.373 119.427 119.800 0.000 0.000 2.533 283 Q HA 0.145 4.487 4.340 0.004 0.000 0.251 283 Q C -2.204 173.819 176.000 0.038 0.000 0.966 283 Q CA -1.829 53.983 55.803 0.015 0.000 0.714 283 Q CB 1.368 30.120 28.738 0.023 0.000 1.284 283 Q HN -0.070 nan 8.270 nan 0.000 0.478 284 P HA -0.132 nan 4.420 nan 0.000 0.217 284 P C 0.137 177.510 177.300 0.122 0.000 1.148 284 P CA 1.149 64.305 63.100 0.094 0.000 0.828 284 P CB 0.478 32.256 31.700 0.131 0.000 0.783 285 I N 0.379 121.035 120.570 0.144 0.000 2.382 285 I HA 0.308 4.480 4.170 0.004 0.000 0.285 285 I C 0.324 176.487 176.117 0.078 0.000 1.007 285 I CA -0.970 60.399 61.300 0.114 0.000 1.142 285 I CB 1.716 39.796 38.000 0.134 0.000 1.289 285 I HN -0.255 nan 8.210 nan 0.000 0.453 286 I N 6.613 127.216 120.570 0.054 0.000 2.353 286 I HA 0.349 4.522 4.170 0.004 0.000 0.293 286 I C -0.271 175.866 176.117 0.034 0.000 0.992 286 I CA -0.755 60.569 61.300 0.040 0.000 1.268 286 I CB 1.792 39.810 38.000 0.031 0.000 1.387 286 I HN 0.198 nan 8.210 nan 0.000 0.478 287 V N 6.750 126.682 119.914 0.030 0.000 2.459 287 V HA 0.487 4.610 4.120 0.004 0.000 0.295 287 V C 0.019 176.126 176.094 0.021 0.000 1.029 287 V CA -0.829 61.486 62.300 0.025 0.000 0.874 287 V CB 1.733 33.571 31.823 0.024 0.000 0.985 287 V HN 0.585 nan 8.190 nan 0.000 0.438 288 R N 2.386 122.897 120.500 0.018 0.000 2.393 288 R HA 0.408 4.750 4.340 0.004 0.000 0.310 288 R C -0.080 176.229 176.300 0.015 0.000 0.968 288 R CA -0.548 55.562 56.100 0.016 0.000 0.867 288 R CB 1.737 32.047 30.300 0.015 0.000 1.124 288 R HN 0.665 nan 8.270 nan 0.000 0.450 289 D N 0.997 121.405 120.400 0.014 0.000 2.271 289 D HA -0.069 4.573 4.640 0.004 0.000 0.206 289 D C 0.097 176.404 176.300 0.012 0.000 0.967 289 D CA 0.755 54.763 54.000 0.013 0.000 0.867 289 D CB 0.464 41.271 40.800 0.012 0.000 0.960 289 D HN 0.481 nan 8.370 nan 0.000 0.509 290 E N 1.671 121.878 120.200 0.011 0.000 2.415 290 E HA -0.046 4.306 4.350 0.004 0.000 0.263 290 E C 0.537 177.143 176.600 0.010 0.000 0.995 290 E CA 0.021 56.427 56.400 0.010 0.000 0.915 290 E CB 1.294 31.000 29.700 0.010 0.000 0.951 290 E HN -0.098 nan 8.360 nan 0.000 0.449 291 E N 1.615 121.821 120.200 0.009 0.000 2.463 291 E HA -0.156 4.197 4.350 0.004 0.000 0.201 291 E C 0.329 176.934 176.600 0.008 0.000 1.045 291 E CA 1.010 57.415 56.400 0.009 0.000 0.872 291 E CB 0.004 29.709 29.700 0.008 0.000 0.797 291 E HN 0.553 nan 8.360 nan 0.000 0.538 292 D N -0.740 119.665 120.400 0.008 0.000 2.593 292 D HA 0.064 4.706 4.640 0.004 0.000 0.241 292 D C -0.096 176.210 176.300 0.009 0.000 1.257 292 D CA -0.311 53.694 54.000 0.008 0.000 0.828 292 D CB 0.152 40.956 40.800 0.007 0.000 1.049 292 D HN -0.137 nan 8.370 nan 0.000 0.490 293 R N 1.031 121.537 120.500 0.010 0.000 2.854 293 R HA 0.550 4.893 4.340 0.004 0.000 0.271 293 R C -2.703 173.604 176.300 0.013 0.000 0.996 293 R CA -1.702 54.406 56.100 0.012 0.000 0.961 293 R CB 1.641 31.948 30.300 0.012 0.000 1.182 293 R HN 0.078 nan 8.270 nan 0.000 0.479 294 P HA 0.263 nan 4.420 nan 0.000 0.278 294 P C -1.148 176.160 177.300 0.015 0.000 1.258 294 P CA -0.527 62.582 63.100 0.015 0.000 0.811 294 P CB 1.220 32.931 31.700 0.017 0.000 1.063 295 Q N 0.782 120.591 119.800 0.014 0.000 2.305 295 Q HA 0.267 4.609 4.340 0.004 0.000 0.271 295 Q C -2.015 173.993 176.000 0.015 0.000 1.046 295 Q CA -1.834 53.977 55.803 0.014 0.000 0.798 295 Q CB 2.281 31.026 28.738 0.012 0.000 1.286 295 Q HN 0.226 nan 8.270 nan 0.000 0.435 296 P HA -0.248 nan 4.420 nan 0.000 0.215 296 P C 1.170 178.477 177.300 0.013 0.000 1.163 296 P CA 1.620 64.730 63.100 0.017 0.000 0.894 296 P CB -0.032 31.681 31.700 0.021 0.000 0.791 297 I N -4.518 116.060 120.570 0.013 0.000 2.756 297 I HA -0.109 4.063 4.170 0.004 0.000 0.262 297 I C 1.844 177.967 176.117 0.011 0.000 1.225 297 I CA 1.588 62.895 61.300 0.011 0.000 1.472 297 I CB -0.638 37.369 38.000 0.012 0.000 1.094 297 I HN -0.087 nan 8.210 nan 0.000 0.454 298 I N 1.191 121.767 120.570 0.011 0.000 2.810 298 I HA -0.028 4.144 4.170 0.004 0.000 0.262 298 I C 1.554 177.677 176.117 0.011 0.000 1.131 298 I CA 0.777 62.083 61.300 0.011 0.000 1.453 298 I CB -0.177 37.830 38.000 0.011 0.000 1.161 298 I HN 0.161 nan 8.210 nan 0.000 0.444 299 D N 0.023 120.430 120.400 0.011 0.000 2.417 299 D HA 0.020 4.662 4.640 0.004 0.000 0.207 299 D C 2.089 178.395 176.300 0.010 0.000 1.075 299 D CA 0.478 54.485 54.000 0.012 0.000 0.851 299 D CB 0.617 41.426 40.800 0.014 0.000 0.976 299 D HN 0.049 nan 8.370 nan 0.000 0.505 300 V N 2.172 122.091 119.914 0.008 0.000 2.439 300 V HA -0.243 3.880 4.120 0.004 0.000 0.253 300 V C 1.291 177.384 176.094 -0.001 0.000 1.074 300 V CA 1.717 64.019 62.300 0.002 0.000 1.076 300 V CB -0.309 31.513 31.823 -0.001 0.000 0.664 300 V HN 0.169 nan 8.190 nan 0.000 0.461 301 N N 0.414 119.115 118.700 0.002 0.000 2.322 301 N HA 0.179 4.921 4.740 0.004 0.000 0.194 301 N C 0.603 176.116 175.510 0.005 0.000 1.126 301 N CA 0.690 53.742 53.050 0.002 0.000 0.845 301 N CB -0.023 38.465 38.487 0.003 0.000 0.976 301 N HN 0.521 nan 8.380 nan 0.000 0.475 302 A N 1.629 124.454 122.820 0.008 0.000 2.572 302 A HA -0.078 4.244 4.320 0.004 0.000 0.256 302 A C 0.444 178.035 177.584 0.011 0.000 1.041 302 A CA 0.269 52.312 52.037 0.011 0.000 0.790 302 A CB -0.535 18.474 19.000 0.015 0.000 0.947 302 A HN 0.444 nan 8.150 nan 0.000 0.518 303 E N 2.173 122.379 120.200 0.009 0.000 2.240 303 E HA -0.200 4.152 4.350 0.004 0.000 0.194 303 E C 0.480 177.083 176.600 0.007 0.000 1.385 303 E CA 0.517 56.922 56.400 0.008 0.000 0.686 303 E CB -1.830 27.876 29.700 0.011 0.000 1.125 303 E HN 1.082 nan 8.360 nan 0.000 0.359 304 S N -1.392 114.311 115.700 0.005 0.000 3.473 304 S HA -0.268 4.204 4.470 0.004 0.000 0.339 304 S C 1.219 175.820 174.600 0.003 0.000 1.148 304 S CA 1.642 59.844 58.200 0.004 0.000 0.969 304 S CB -1.367 61.835 63.200 0.004 0.000 0.936 304 S HN 1.453 nan 8.310 nan 0.000 0.530 305 G N -0.443 108.359 108.800 0.002 0.000 2.162 305 G HA2 -0.340 3.622 3.960 0.004 0.000 0.260 305 G HA3 -0.340 3.622 3.960 0.004 0.000 0.260 305 G C 0.485 175.387 174.900 0.003 0.000 0.976 305 G CA 0.617 45.717 45.100 -0.001 0.000 0.655 305 G HN 0.495 nan 8.290 nan 0.000 0.533 306 M N 0.236 119.842 119.600 0.010 0.000 2.509 306 M HA 0.472 4.954 4.480 0.004 0.000 0.250 306 M C 1.377 177.693 176.300 0.027 0.000 1.132 306 M CA 0.779 56.089 55.300 0.017 0.000 1.080 306 M CB -0.184 32.426 32.600 0.017 0.000 1.408 306 M HN 0.672 nan 8.290 nan 0.000 0.484 307 A N 0.992 123.828 122.820 0.025 0.000 2.325 307 A HA 0.663 4.986 4.320 0.004 0.000 0.333 307 A C -0.085 177.520 177.584 0.034 0.000 1.155 307 A CA -0.663 51.395 52.037 0.036 0.000 0.814 307 A CB 1.035 20.054 19.000 0.032 0.000 1.206 307 A HN 0.149 nan 8.150 nan 0.000 0.482 308 V N -0.544 119.396 119.914 0.044 0.000 2.732 308 V HA 0.865 4.987 4.120 0.004 0.000 0.310 308 V C -0.111 176.004 176.094 0.035 0.000 1.053 308 V CA -0.391 61.931 62.300 0.037 0.000 0.957 308 V CB 1.404 33.251 31.823 0.040 0.000 1.018 308 V HN 0.777 nan 8.190 nan 0.000 0.452 309 T N 2.892 117.463 114.554 0.029 0.000 2.807 309 T HA 0.704 5.056 4.350 0.004 0.000 0.279 309 T C -0.414 174.300 174.700 0.023 0.000 0.993 309 T CA -0.384 61.732 62.100 0.026 0.000 0.970 309 T CB 1.556 70.437 68.868 0.022 0.000 0.950 309 T HN 0.721 nan 8.240 nan 0.000 0.441 310 V N 1.822 121.749 119.914 0.022 0.000 2.715 310 V HA 0.976 5.098 4.120 0.004 0.000 0.310 310 V C 0.514 176.618 176.094 0.016 0.000 1.054 310 V CA -0.465 61.845 62.300 0.017 0.000 0.928 310 V CB 1.969 33.800 31.823 0.013 0.000 1.007 310 V HN 1.122 nan 8.190 nan 0.000 0.437 311 G N 1.556 110.365 108.800 0.015 0.000 2.645 311 G HA2 0.574 4.537 3.960 0.004 0.000 0.292 311 G HA3 0.574 4.537 3.960 0.004 0.000 0.292 311 G C -0.516 174.392 174.900 0.014 0.000 1.415 311 G CA -0.815 44.294 45.100 0.014 0.000 0.785 311 G HN 0.473 nan 8.290 nan 0.000 0.483 312 R N -1.210 119.298 120.500 0.014 0.000 3.641 312 R HA -0.156 4.186 4.340 0.004 0.000 0.286 312 R C 0.243 176.554 176.300 0.017 0.000 1.153 312 R CA 0.564 56.672 56.100 0.014 0.000 0.775 312 R CB -2.027 28.280 30.300 0.012 0.000 1.215 312 R HN 0.567 nan 8.270 nan 0.000 0.474 313 I N 1.557 122.138 120.570 0.019 0.000 2.578 313 I HA 0.003 4.176 4.170 0.004 0.000 0.286 313 I C 1.171 177.309 176.117 0.035 0.000 1.126 313 I CA 0.822 62.136 61.300 0.024 0.000 1.380 313 I CB 0.134 38.145 38.000 0.019 0.000 1.408 313 I HN 0.085 nan 8.210 nan 0.000 0.532 314 R N 5.118 125.646 120.500 0.046 0.000 2.771 314 R HA 0.488 4.830 4.340 0.004 0.000 0.274 314 R C -1.478 174.890 176.300 0.114 0.000 0.987 314 R CA -0.932 55.205 56.100 0.061 0.000 0.908 314 R CB 1.927 32.246 30.300 0.031 0.000 1.213 314 R HN 0.586 nan 8.270 nan 0.000 0.468 315 H N 2.077 121.146 119.070 -0.001 0.000 3.177 315 H HA 0.284 4.843 4.556 0.004 0.000 0.314 315 H C -1.701 173.626 175.328 -0.001 0.000 1.059 315 H CA -0.373 55.674 56.048 -0.002 0.000 1.515 315 H CB 0.764 30.525 29.762 -0.002 0.000 1.672 315 H HN 0.732 nan 8.280 nan 0.000 0.514 316 E N 3.385 123.358 120.200 -0.378 0.000 2.413 316 E HA 0.307 4.659 4.350 0.004 0.000 0.277 316 E C -0.844 175.593 176.600 -0.271 0.000 0.958 316 E CA -1.027 55.183 56.400 -0.316 0.000 0.779 316 E CB 1.271 30.890 29.700 -0.135 0.000 1.278 316 E HN 0.718 nan 8.360 nan 0.000 0.456 317 N N 2.221 120.800 118.700 -0.201 0.000 2.740 317 N HA -0.186 4.557 4.740 0.004 0.000 0.248 317 N C -0.790 174.642 175.510 -0.129 0.000 1.062 317 N CA 0.554 53.528 53.050 -0.126 0.000 0.704 317 N CB -1.061 37.377 38.487 -0.081 0.000 0.968 317 N HN 0.706 nan 8.380 nan 0.000 0.547 318 N N -1.335 117.250 118.700 -0.191 0.000 2.714 318 N HA -0.185 4.558 4.740 0.004 0.000 0.252 318 N C -1.289 174.217 175.510 -0.007 0.000 1.014 318 N CA 1.239 54.247 53.050 -0.070 0.000 0.735 318 N CB -0.597 37.891 38.487 0.001 0.000 0.924 318 N HN 0.248 nan 8.380 nan 0.000 0.540 319 V N 0.881 120.755 119.914 -0.068 0.000 2.711 319 V HA 0.320 4.442 4.120 0.004 0.000 0.304 319 V C 0.150 176.328 176.094 0.140 0.000 1.097 319 V CA -0.706 61.617 62.300 0.039 0.000 0.906 319 V CB 2.856 34.674 31.823 -0.008 0.000 1.015 319 V HN 0.174 nan 8.190 nan 0.000 0.427 320 L N 5.639 126.980 121.223 0.196 0.000 2.260 320 L HA 0.606 4.949 4.340 0.004 0.000 0.289 320 L C -0.118 176.800 176.870 0.081 0.000 1.057 320 L CA -0.263 54.688 54.840 0.185 0.000 0.811 320 L CB 0.811 42.928 42.059 0.098 0.000 1.184 320 L HN 0.643 nan 8.230 nan 0.000 0.429 321 R N 5.908 126.447 120.500 0.065 0.000 2.514 321 R HA 0.683 5.025 4.340 0.004 0.000 0.301 321 R C -1.630 174.686 176.300 0.027 0.000 0.962 321 R CA -0.583 55.538 56.100 0.034 0.000 0.882 321 R CB 1.587 31.901 30.300 0.022 0.000 1.143 321 R HN 0.602 nan 8.270 nan 0.000 0.452 322 L N 0.775 122.008 121.223 0.017 0.000 2.506 322 L HA 0.616 4.958 4.340 0.004 0.000 0.257 322 L C -1.464 175.412 176.870 0.010 0.000 0.964 322 L CA -0.979 53.868 54.840 0.013 0.000 0.836 322 L CB 1.753 43.817 42.059 0.008 0.000 1.384 322 L HN 0.140 nan 8.230 nan 0.000 0.410 323 V N 2.190 122.111 119.914 0.011 0.000 2.459 323 V HA 0.830 4.952 4.120 0.004 0.000 0.295 323 V C -0.373 175.729 176.094 0.013 0.000 1.029 323 V CA -0.554 61.752 62.300 0.011 0.000 0.874 323 V CB 1.715 33.545 31.823 0.011 0.000 0.985 323 V HN 0.773 nan 8.190 nan 0.000 0.438 324 V N 6.363 126.286 119.914 0.015 0.000 2.914 324 V HA 0.813 4.935 4.120 0.004 0.000 0.314 324 V C -1.423 174.688 176.094 0.027 0.000 1.084 324 V CA -0.647 61.664 62.300 0.019 0.000 0.963 324 V CB 2.149 33.982 31.823 0.016 0.000 1.025 324 V HN 0.779 nan 8.190 nan 0.000 0.432 325 L N 4.831 126.072 121.223 0.030 0.000 2.431 325 L HA 1.057 5.399 4.340 0.004 0.000 0.266 325 L C -0.300 176.590 176.870 0.033 0.000 0.978 325 L CA 0.537 55.398 54.840 0.036 0.000 0.822 325 L CB 2.012 44.088 42.059 0.029 0.000 1.310 325 L HN 0.885 nan 8.230 nan 0.000 0.409 326 G N 1.608 110.428 108.800 0.034 0.000 2.696 326 G HA2 0.341 4.303 3.960 0.004 0.000 0.295 326 G HA3 0.341 4.303 3.960 0.004 0.000 0.295 326 G C -1.843 173.043 174.900 -0.023 0.000 1.398 326 G CA -0.568 44.541 45.100 0.014 0.000 0.920 326 G HN 0.557 nan 8.290 nan 0.000 0.492 327 D N 1.048 121.425 120.400 -0.038 0.000 2.352 327 D HA -0.001 4.641 4.640 0.004 0.000 0.245 327 D C 1.509 177.731 176.300 -0.130 0.000 1.224 327 D CA -0.459 53.497 54.000 -0.074 0.000 0.879 327 D CB 0.673 41.447 40.800 -0.044 0.000 1.057 327 D HN 0.435 nan 8.370 nan 0.000 0.491 328 N N 4.262 122.796 118.700 -0.276 0.000 2.443 328 N HA -0.171 4.571 4.740 0.004 0.000 0.184 328 N C 1.535 176.924 175.510 -0.202 0.000 1.037 328 N CA 0.656 53.467 53.050 -0.399 0.000 0.896 328 N CB -0.059 37.760 38.487 -1.113 0.000 0.959 328 N HN 0.478 nan 8.380 nan 0.000 0.442 329 L N -0.247 120.892 121.223 -0.139 0.000 2.354 329 L HA 0.114 4.456 4.340 0.004 0.000 0.212 329 L C 1.941 178.783 176.870 -0.046 0.000 1.091 329 L CA 0.096 54.891 54.840 -0.076 0.000 0.828 329 L CB 0.195 42.216 42.059 -0.063 0.000 0.973 329 L HN -0.041 nan 8.230 nan 0.000 0.461 330 V N -0.879 119.010 119.914 -0.043 0.000 2.784 330 V HA 0.017 4.140 4.120 0.004 0.000 0.231 330 V C 2.302 178.389 176.094 -0.011 0.000 1.128 330 V CA 0.603 62.890 62.300 -0.021 0.000 1.178 330 V CB -0.250 31.564 31.823 -0.015 0.000 0.943 330 V HN 0.203 nan 8.190 nan 0.000 0.500 331 R N 1.555 122.048 120.500 -0.011 0.000 2.096 331 R HA -0.076 4.267 4.340 0.004 0.000 0.235 331 R C 2.048 178.349 176.300 0.003 0.000 1.127 331 R CA 1.913 58.016 56.100 0.004 0.000 0.968 331 R CB -1.108 29.196 30.300 0.008 0.000 0.861 331 R HN 0.502 nan 8.270 nan 0.000 0.440 332 G N -1.979 106.808 108.800 -0.020 0.000 2.534 332 G HA2 0.117 4.080 3.960 0.004 0.000 0.217 332 G HA3 0.117 4.080 3.960 0.004 0.000 0.217 332 G C 0.778 175.678 174.900 -0.001 0.000 1.128 332 G CA 0.772 45.863 45.100 -0.015 0.000 0.784 332 G HN 0.543 nan 8.290 nan 0.000 0.542 333 A N -0.813 122.004 122.820 -0.005 0.000 1.868 333 A HA 0.648 4.970 4.320 0.004 0.000 0.132 333 A C 2.183 179.769 177.584 0.004 0.000 1.440 333 A CA 1.105 53.144 52.037 0.005 0.000 2.235 333 A CB -1.140 17.861 19.000 0.003 0.000 2.253 333 A HN 0.854 nan 8.150 nan 0.000 1.206 334 A N 0.182 123.001 122.820 -0.002 0.000 1.869 334 A HA 0.042 4.364 4.320 0.004 0.000 0.218 334 A C 2.430 180.015 177.584 0.001 0.000 1.203 334 A CA 3.071 55.108 52.037 -0.000 0.000 0.638 334 A CB -1.644 17.354 19.000 -0.003 0.000 0.831 334 A HN 1.523 nan 8.150 nan 0.000 0.450 335 G N 0.435 109.236 108.800 0.003 0.000 2.446 335 G HA2 -0.228 3.734 3.960 0.004 0.000 0.217 335 G HA3 -0.228 3.734 3.960 0.004 0.000 0.217 335 G C 1.537 176.446 174.900 0.015 0.000 1.168 335 G CA 1.432 46.537 45.100 0.009 0.000 0.771 335 G HN 0.919 nan 8.290 nan 0.000 0.551 336 I N -1.605 118.976 120.570 0.018 0.000 2.493 336 I HA -0.026 4.147 4.170 0.004 0.000 0.254 336 I C 2.435 178.565 176.117 0.023 0.000 1.160 336 I CA 1.625 62.941 61.300 0.027 0.000 1.445 336 I CB -0.824 37.197 38.000 0.035 0.000 1.086 336 I HN -0.054 nan 8.210 nan 0.000 0.433 337 T N 2.006 116.568 114.554 0.014 0.000 2.777 337 T HA 0.032 4.385 4.350 0.004 0.000 0.266 337 T C 1.970 176.666 174.700 -0.006 0.000 1.040 337 T CA 1.655 63.759 62.100 0.007 0.000 1.141 337 T CB -0.224 68.646 68.868 0.003 0.000 0.868 337 T HN 0.346 nan 8.240 nan 0.000 0.444 338 I N 0.476 121.037 120.570 -0.016 0.000 2.286 338 I HA -0.051 4.121 4.170 0.004 0.000 0.245 338 I C 2.365 178.472 176.117 -0.017 0.000 1.104 338 I CA 0.840 62.113 61.300 -0.046 0.000 1.397 338 I CB -0.302 37.666 38.000 -0.053 0.000 1.072 338 I HN 0.194 nan 8.210 nan 0.000 0.417 339 L N 0.500 121.732 121.223 0.015 0.000 2.046 339 L HA -0.228 4.115 4.340 0.004 0.000 0.208 339 L C 2.608 179.503 176.870 0.042 0.000 1.077 339 L CA 1.762 56.624 54.840 0.036 0.000 0.747 339 L CB -0.446 41.635 42.059 0.037 0.000 0.896 339 L HN 0.292 nan 8.230 nan 0.000 0.432 340 T N -0.612 113.964 114.554 0.036 0.000 2.684 340 T HA -0.188 4.164 4.350 0.004 0.000 0.267 340 T C 1.922 176.647 174.700 0.041 0.000 1.036 340 T CA 1.605 63.730 62.100 0.042 0.000 1.148 340 T CB -0.303 68.584 68.868 0.032 0.000 0.863 340 T HN 0.167 nan 8.240 nan 0.000 0.436 341 V N 1.516 121.446 119.914 0.026 0.000 2.343 341 V HA -0.195 3.928 4.120 0.004 0.000 0.247 341 V C 2.451 178.595 176.094 0.082 0.000 1.051 341 V CA 1.704 64.025 62.300 0.034 0.000 1.036 341 V CB -0.679 31.137 31.823 -0.011 0.000 0.654 341 V HN 0.557 nan 8.190 nan 0.000 0.451 342 E N -0.049 120.205 120.200 0.090 0.000 2.077 342 E HA -0.182 4.170 4.350 0.004 0.000 0.193 342 E C 2.274 178.958 176.600 0.140 0.000 0.989 342 E CA 1.539 58.048 56.400 0.182 0.000 0.800 342 E CB -0.258 29.552 29.700 0.182 0.000 0.746 342 E HN 0.451 nan 8.360 nan 0.000 0.452 343 V N 1.147 121.116 119.914 0.091 0.000 2.343 343 V HA -0.283 3.839 4.120 0.004 0.000 0.247 343 V C 2.259 178.428 176.094 0.126 0.000 1.051 343 V CA 1.668 64.011 62.300 0.072 0.000 1.036 343 V CB -0.365 31.500 31.823 0.070 0.000 0.654 343 V HN 0.315 nan 8.190 nan 0.000 0.451 344 M N -0.352 119.326 119.600 0.130 0.000 2.117 344 M HA -0.205 4.277 4.480 0.004 0.000 0.262 344 M C 2.286 178.721 176.300 0.226 0.000 1.065 344 M CA 1.922 57.338 55.300 0.193 0.000 1.114 344 M CB -0.383 32.284 32.600 0.111 0.000 1.361 344 M HN 0.171 nan 8.290 nan 0.000 0.408 345 K N 0.633 121.125 120.400 0.153 0.000 2.155 345 K HA -0.177 4.146 4.320 0.004 0.000 0.203 345 K C 1.681 178.315 176.600 0.057 0.000 1.052 345 K CA 1.501 57.852 56.287 0.107 0.000 0.948 345 K CB -0.114 32.460 32.500 0.123 0.000 0.728 345 K HN 0.132 nan 8.250 nan 0.000 0.448 346 E N 0.336 120.574 120.200 0.062 0.000 2.106 346 E HA -0.060 4.292 4.350 0.004 0.000 0.192 346 E C 1.348 177.958 176.600 0.017 0.000 0.984 346 E CA 1.285 57.690 56.400 0.008 0.000 0.806 346 E CB -0.095 29.598 29.700 -0.012 0.000 0.750 346 E HN 0.426 nan 8.360 nan 0.000 0.458 347 L N -1.392 119.891 121.223 0.100 0.000 2.592 347 L HA 0.325 4.668 4.340 0.004 0.000 0.227 347 L C 1.394 178.226 176.870 -0.062 0.000 1.127 347 L CA 0.420 55.320 54.840 0.100 0.000 0.884 347 L CB 0.022 42.294 42.059 0.354 0.000 1.065 347 L HN 0.438 nan 8.230 nan 0.000 0.457 348 G N -0.835 107.943 108.800 -0.036 0.000 2.176 348 G HA2 -0.346 3.617 3.960 0.004 0.000 0.232 348 G HA3 -0.346 3.617 3.960 0.004 0.000 0.232 348 G C 0.511 175.318 174.900 -0.155 0.000 0.986 348 G CA 0.194 45.218 45.100 -0.127 0.000 0.643 348 G HN 0.323 nan 8.290 nan 0.000 0.522 349 Y N 0.628 120.940 120.300 0.021 0.000 2.373 349 Y HA 0.315 4.867 4.550 0.004 0.000 0.293 349 Y C 2.093 178.006 175.900 0.021 0.000 1.129 349 Y CA 0.521 58.633 58.100 0.020 0.000 1.226 349 Y CB 0.066 38.545 38.460 0.032 0.000 1.000 349 Y HN 0.309 nan 8.280 nan 0.000 0.549 350 I N 0.000 120.673 120.570 0.172 0.000 2.984 350 I HA 0.000 4.172 4.170 0.004 0.000 0.288 350 I CA 0.000 61.365 61.300 0.109 0.000 1.566 350 I CB 0.000 38.037 38.000 0.062 0.000 1.214 350 I HN 0.000 nan 8.210 nan 0.000 0.494