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 1vcw_1_B DATA FIRST_RESID 42 DATA SEQUENCE MTPASYNLAV RRAAPAVVNV YNRGLNTNSH NQLEIRTLGS GVIMDQRGYI DATA SEQUENCE ITNKHVINDA DQIIVALQDG RVFEALLVGS DSLTDLAVLK INATGGLPTI DATA SEQUENCE PINARRVPHI GDVVLAIGNP YNLGQTITQG IISATGRIGL NPTGRQNFLQ DATA SEQUENCE TDASINHGNS GGALVNSLGE LMGINTLSFD KSNDGETPEG IGFAIPFQLA DATA SEQUENCE TKIMDKLIRD GRVIRGYIGI GGRXXXXXXX XXXXXXXXXG IVVNEVSPDG DATA SEQUENCE PAANAGIQVN DLIISVDNKP AISALETMDQ VAEIRPGSVI PVVVXXXXXQ DATA SEQUENCE LTLQVTIQEY PA 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 42 M HA 0.000 nan 4.480 nan 0.000 0.227 42 M C 0.000 176.289 176.300 -0.019 0.000 1.140 42 M CA 0.000 55.290 55.300 -0.016 0.000 0.988 42 M CB 0.000 32.590 32.600 -0.017 0.000 1.302 43 T N 1.170 115.709 114.554 -0.025 0.000 2.848 43 T HA 0.688 5.036 4.350 -0.003 0.000 0.285 43 T C -2.636 172.041 174.700 -0.039 0.000 0.995 43 T CA -0.968 61.114 62.100 -0.030 0.000 0.970 43 T CB 1.211 70.059 68.868 -0.033 0.000 0.976 43 T HN 0.308 nan 8.240 nan 0.000 0.441 44 P HA 0.420 nan 4.420 nan 0.000 0.268 44 P C -0.555 176.699 177.300 -0.076 0.000 1.204 44 P CA -0.498 62.574 63.100 -0.047 0.000 0.768 44 P CB 0.233 31.912 31.700 -0.036 0.000 0.842 45 A N 2.193 124.958 122.820 -0.090 0.000 2.511 45 A HA 0.451 4.769 4.320 -0.003 0.000 0.242 45 A C 0.447 177.907 177.584 -0.206 0.000 1.069 45 A CA 0.494 52.436 52.037 -0.158 0.000 0.763 45 A CB -0.279 18.633 19.000 -0.147 0.000 1.001 45 A HN 0.557 nan 8.150 nan 0.000 0.498 46 S N 1.060 116.562 115.700 -0.329 0.000 2.556 46 S HA 0.493 4.961 4.470 -0.003 0.000 0.280 46 S C -0.935 173.420 174.600 -0.409 0.000 1.141 46 S CA -0.555 57.463 58.200 -0.304 0.000 0.883 46 S CB 0.417 63.545 63.200 -0.121 0.000 1.103 46 S HN 0.563 nan 8.310 nan 0.000 0.453 47 Y N 3.344 123.640 120.300 -0.006 0.000 2.625 47 Y HA 0.359 4.908 4.550 -0.003 0.000 0.285 47 Y C 2.112 178.006 175.900 -0.009 0.000 1.168 47 Y CA -0.377 57.718 58.100 -0.008 0.000 1.250 47 Y CB 0.031 38.486 38.460 -0.008 0.000 1.130 47 Y HN 0.751 nan 8.280 nan 0.000 0.526 48 N N 1.001 119.745 118.700 0.074 0.000 2.205 48 N HA -0.188 4.550 4.740 -0.003 0.000 0.186 48 N C 1.929 177.461 175.510 0.038 0.000 1.015 48 N CA 0.996 54.075 53.050 0.049 0.000 0.862 48 N CB 0.022 38.520 38.487 0.018 0.000 0.986 48 N HN 0.472 nan 8.380 nan 0.000 0.429 49 L N 1.634 122.875 121.223 0.030 0.000 1.990 49 L HA -0.133 4.205 4.340 -0.003 0.000 0.213 49 L C 2.426 179.313 176.870 0.028 0.000 1.072 49 L CA 2.262 57.115 54.840 0.021 0.000 0.755 49 L CB -1.144 40.925 42.059 0.016 0.000 0.889 49 L HN 0.192 nan 8.230 nan 0.000 0.432 50 A N -1.208 121.643 122.820 0.052 0.000 1.940 50 A HA -0.157 4.162 4.320 -0.003 0.000 0.219 50 A C 2.270 179.867 177.584 0.023 0.000 1.176 50 A CA 2.046 54.105 52.037 0.037 0.000 0.631 50 A CB -1.163 17.870 19.000 0.055 0.000 0.814 50 A HN 0.361 nan 8.150 nan 0.000 0.446 51 V N -0.058 119.878 119.914 0.037 0.000 2.343 51 V HA -0.260 3.859 4.120 -0.003 0.000 0.247 51 V C 2.641 178.742 176.094 0.012 0.000 1.051 51 V CA 2.193 64.507 62.300 0.023 0.000 1.036 51 V CB -0.795 31.047 31.823 0.033 0.000 0.654 51 V HN 0.525 nan 8.190 nan 0.000 0.451 52 R N -0.174 120.334 120.500 0.013 0.000 2.075 52 R HA -0.083 4.255 4.340 -0.003 0.000 0.232 52 R C 2.505 178.805 176.300 0.000 0.000 1.126 52 R CA 1.326 57.430 56.100 0.006 0.000 0.963 52 R CB -0.311 29.993 30.300 0.006 0.000 0.858 52 R HN 0.467 nan 8.270 nan 0.000 0.435 53 R N -0.344 120.155 120.500 -0.002 0.000 2.148 53 R HA 0.002 4.340 4.340 -0.003 0.000 0.223 53 R C 1.669 177.959 176.300 -0.017 0.000 1.088 53 R CA 1.245 57.339 56.100 -0.010 0.000 0.985 53 R CB 0.143 30.436 30.300 -0.012 0.000 0.880 53 R HN 0.181 nan 8.270 nan 0.000 0.451 54 A N -0.362 122.448 122.820 -0.017 0.000 2.312 54 A HA 0.372 4.690 4.320 -0.003 0.000 0.215 54 A C 1.882 179.453 177.584 -0.022 0.000 1.256 54 A CA 0.374 52.396 52.037 -0.026 0.000 0.966 54 A CB 0.237 19.216 19.000 -0.036 0.000 1.053 54 A HN 0.215 nan 8.150 nan 0.000 0.510 55 A N 1.474 124.286 122.820 -0.013 0.000 1.883 55 A HA -0.014 4.304 4.320 -0.003 0.000 0.217 55 A C -0.021 177.556 177.584 -0.011 0.000 1.186 55 A CA 2.032 54.063 52.037 -0.011 0.000 0.624 55 A CB -1.662 17.337 19.000 -0.002 0.000 0.822 55 A HN 0.393 nan 8.150 nan 0.000 0.444 56 P HA -0.107 nan 4.420 nan 0.000 0.220 56 P C 1.246 178.536 177.300 -0.017 0.000 1.144 56 P CA 1.667 64.762 63.100 -0.008 0.000 0.800 56 P CB -0.020 31.677 31.700 -0.005 0.000 0.772 57 A N -0.894 121.912 122.820 -0.025 0.000 2.178 57 A HA 0.125 4.443 4.320 -0.003 0.000 0.211 57 A C 0.970 178.530 177.584 -0.041 0.000 1.157 57 A CA 0.191 52.207 52.037 -0.035 0.000 0.780 57 A CB -0.819 18.160 19.000 -0.035 0.000 0.828 57 A HN 0.174 nan 8.150 nan 0.000 0.476 58 V N -1.344 118.548 119.914 -0.037 0.000 2.607 58 V HA 0.672 4.790 4.120 -0.003 0.000 0.289 58 V C -0.297 175.767 176.094 -0.050 0.000 1.053 58 V CA -0.666 61.607 62.300 -0.045 0.000 0.996 58 V CB 1.111 32.910 31.823 -0.040 0.000 0.995 58 V HN 0.044 nan 8.190 nan 0.000 0.476 59 V N 3.622 123.493 119.914 -0.071 0.000 3.074 59 V HA 0.462 4.580 4.120 -0.003 0.000 0.314 59 V C -0.033 175.976 176.094 -0.141 0.000 1.117 59 V CA -0.940 61.307 62.300 -0.089 0.000 1.014 59 V CB 2.096 33.862 31.823 -0.094 0.000 1.057 59 V HN 1.006 nan 8.190 nan 0.000 0.438 60 N N 0.551 119.131 118.700 -0.200 0.000 2.419 60 N HA 0.503 5.241 4.740 -0.003 0.000 0.264 60 N C -1.155 174.007 175.510 -0.580 0.000 1.031 60 N CA -0.328 52.487 53.050 -0.391 0.000 0.951 60 N CB 1.705 39.917 38.487 -0.459 0.000 1.101 60 N HN 0.370 nan 8.380 nan 0.000 0.488 61 V N 3.775 123.389 119.914 -0.500 0.000 2.370 61 V HA 0.277 4.395 4.120 -0.003 0.000 0.283 61 V C -0.814 175.043 176.094 -0.396 0.000 1.023 61 V CA -0.584 61.487 62.300 -0.382 0.000 0.857 61 V CB 0.282 31.983 31.823 -0.202 0.000 0.985 61 V HN 0.570 nan 8.190 nan 0.000 0.443 62 Y N 3.148 123.446 120.300 -0.003 0.000 2.328 62 Y HA 0.358 4.906 4.550 -0.003 0.000 0.337 62 Y C 0.567 176.467 175.900 0.000 0.000 0.966 62 Y CA -0.460 57.640 58.100 0.001 0.000 1.136 62 Y CB 1.268 39.734 38.460 0.010 0.000 1.170 62 Y HN 0.649 nan 8.280 nan 0.000 0.470 63 N N 4.212 123.002 118.700 0.150 0.000 2.406 63 N HA 0.229 4.967 4.740 -0.003 0.000 0.251 63 N C -0.993 174.567 175.510 0.083 0.000 1.069 63 N CA -0.584 52.517 53.050 0.085 0.000 0.947 63 N CB 0.409 38.928 38.487 0.053 0.000 1.111 63 N HN 0.596 nan 8.380 nan 0.000 0.497 64 R N 2.511 123.052 120.500 0.069 0.000 2.387 64 R HA 0.362 4.700 4.340 -0.003 0.000 0.314 64 R C -0.072 176.248 176.300 0.033 0.000 0.958 64 R CA -0.797 55.331 56.100 0.048 0.000 0.846 64 R CB 1.848 32.174 30.300 0.044 0.000 1.147 64 R HN 0.498 nan 8.270 nan 0.000 0.447 65 G N 1.610 110.425 108.800 0.026 0.000 2.417 65 G HA2 0.403 4.362 3.960 -0.003 0.000 0.334 65 G HA3 0.403 4.362 3.960 -0.003 0.000 0.334 65 G C 0.613 175.523 174.900 0.016 0.000 1.150 65 G CA -0.632 44.479 45.100 0.019 0.000 0.923 65 G HN 0.483 nan 8.290 nan 0.000 0.485 66 L N 0.414 121.645 121.223 0.014 0.000 2.145 66 L HA 0.101 4.440 4.340 -0.003 0.000 0.201 66 L C 1.847 178.722 176.870 0.009 0.000 1.075 66 L CA 0.432 55.279 54.840 0.013 0.000 0.773 66 L CB 0.056 42.122 42.059 0.013 0.000 0.936 66 L HN 0.503 nan 8.230 nan 0.000 0.451 67 N N -0.581 118.122 118.700 0.004 0.000 2.652 67 N HA -0.036 4.702 4.740 -0.003 0.000 0.259 67 N C 0.807 176.312 175.510 -0.007 0.000 1.240 67 N CA 0.268 53.316 53.050 -0.003 0.000 0.951 67 N CB 0.108 38.593 38.487 -0.003 0.000 1.281 67 N HN 0.033 nan 8.380 nan 0.000 0.507 68 T N -1.502 113.049 114.554 -0.005 0.000 3.044 68 T HA 0.054 4.403 4.350 -0.003 0.000 0.255 68 T C 0.146 174.833 174.700 -0.021 0.000 1.073 68 T CA 0.425 62.521 62.100 -0.007 0.000 1.125 68 T CB -0.136 68.733 68.868 0.002 0.000 0.908 68 T HN 0.602 nan 8.240 nan 0.000 0.480 69 N N -0.403 118.279 118.700 -0.031 0.000 2.629 69 N HA 0.343 5.081 4.740 -0.003 0.000 0.279 69 N C 0.727 176.170 175.510 -0.113 0.000 1.344 69 N CA -0.476 52.530 53.050 -0.073 0.000 0.789 69 N CB 0.859 39.312 38.487 -0.056 0.000 1.508 69 N HN -0.129 nan 8.380 nan 0.000 0.516 70 S N -1.926 113.632 115.700 -0.236 0.000 2.453 70 S HA -0.101 4.367 4.470 -0.003 0.000 0.231 70 S C 0.607 175.091 174.600 -0.194 0.000 1.005 70 S CA 0.480 58.535 58.200 -0.241 0.000 0.949 70 S CB -0.636 62.382 63.200 -0.304 0.000 0.774 70 S HN 0.601 nan 8.310 nan 0.000 0.510 71 H N 2.781 121.850 119.070 -0.001 0.000 2.536 71 H HA 0.185 4.739 4.556 -0.003 0.000 0.276 71 H C 0.024 175.351 175.328 -0.002 0.000 1.019 71 H CA 0.165 56.212 56.048 -0.002 0.000 1.159 71 H CB -1.129 28.631 29.762 -0.003 0.000 1.373 71 H HN 0.682 nan 8.280 nan 0.000 0.584 72 N N 1.411 120.144 118.700 0.055 0.000 2.726 72 N HA -0.259 4.480 4.740 -0.003 0.000 0.287 72 N C -0.725 174.812 175.510 0.046 0.000 1.052 72 N CA 0.433 53.504 53.050 0.035 0.000 0.805 72 N CB -1.375 37.126 38.487 0.023 0.000 0.944 72 N HN 0.519 nan 8.380 nan 0.000 0.574 73 Q N -0.114 119.716 119.800 0.049 0.000 2.378 73 Q HA 0.524 4.863 4.340 -0.003 0.000 0.276 73 Q C -0.013 176.002 176.000 0.025 0.000 1.083 73 Q CA -1.218 54.608 55.803 0.038 0.000 0.856 73 Q CB 1.495 30.261 28.738 0.047 0.000 1.383 73 Q HN 0.357 nan 8.270 nan 0.000 0.458 74 L N 1.831 123.065 121.223 0.017 0.000 2.485 74 L HA 0.150 4.488 4.340 -0.003 0.000 0.279 74 L C 0.217 177.092 176.870 0.008 0.000 1.124 74 L CA 0.417 55.265 54.840 0.014 0.000 0.888 74 L CB -0.161 41.905 42.059 0.012 0.000 1.217 74 L HN 0.475 nan 8.230 nan 0.000 0.464 75 E N 3.087 123.293 120.200 0.010 0.000 2.202 75 E HA 0.367 4.715 4.350 -0.003 0.000 0.272 75 E C -0.295 176.309 176.600 0.006 0.000 0.951 75 E CA -0.930 55.472 56.400 0.004 0.000 0.813 75 E CB 1.587 31.292 29.700 0.007 0.000 1.151 75 E HN 0.455 nan 8.360 nan 0.000 0.398 76 I N 5.212 125.778 120.570 -0.007 0.000 2.501 76 I HA 0.009 4.177 4.170 -0.003 0.000 0.305 76 I C 1.543 177.678 176.117 0.031 0.000 1.197 76 I CA 0.176 61.479 61.300 0.006 0.000 1.793 76 I CB -0.358 37.617 38.000 -0.041 0.000 1.521 76 I HN 0.387 nan 8.210 nan 0.000 0.843 77 R N 2.120 122.643 120.500 0.038 0.000 2.139 77 R HA -0.071 4.267 4.340 -0.003 0.000 0.243 77 R C 0.396 176.731 176.300 0.058 0.000 1.145 77 R CA 1.152 57.275 56.100 0.039 0.000 0.976 77 R CB -0.306 30.015 30.300 0.035 0.000 0.866 77 R HN 0.549 nan 8.270 nan 0.000 0.449 78 T N -0.826 113.776 114.554 0.079 0.000 2.627 78 T HA 0.559 4.907 4.350 -0.003 0.000 0.294 78 T C -1.722 173.056 174.700 0.130 0.000 1.230 78 T CA -0.745 61.417 62.100 0.104 0.000 1.084 78 T CB 1.355 70.280 68.868 0.095 0.000 1.693 78 T HN 0.126 nan 8.240 nan 0.000 0.465 79 L N -2.577 118.709 121.223 0.105 0.000 3.025 79 L HA 0.825 5.164 4.340 -0.003 0.000 0.240 79 L C -0.579 176.269 176.870 -0.038 0.000 0.985 79 L CA -0.445 54.447 54.840 0.086 0.000 1.029 79 L CB 0.716 42.919 42.059 0.241 0.000 1.519 79 L HN 1.109 nan 8.230 nan 0.000 0.422 80 G N -0.332 108.403 108.800 -0.110 0.000 2.793 80 G HA2 0.839 4.797 3.960 -0.003 0.000 0.248 80 G HA3 0.839 4.797 3.960 -0.003 0.000 0.248 80 G C -1.464 173.335 174.900 -0.167 0.000 1.198 80 G CA -0.036 44.968 45.100 -0.159 0.000 0.865 80 G HN 0.876 nan 8.290 nan 0.000 0.534 81 S N -1.827 113.781 115.700 -0.153 0.000 2.667 81 S HA 0.911 5.380 4.470 -0.003 0.000 0.292 81 S C -0.290 174.233 174.600 -0.128 0.000 1.126 81 S CA -0.081 58.036 58.200 -0.137 0.000 0.881 81 S CB 1.917 65.059 63.200 -0.096 0.000 1.132 81 S HN 1.586 nan 8.310 nan 0.000 0.492 82 G N -0.151 108.582 108.800 -0.111 0.000 2.698 82 G HA2 0.568 4.527 3.960 -0.003 0.000 0.293 82 G HA3 0.568 4.527 3.960 -0.003 0.000 0.293 82 G C -1.961 172.895 174.900 -0.074 0.000 1.437 82 G CA -0.489 44.556 45.100 -0.093 0.000 0.852 82 G HN 0.610 nan 8.290 nan 0.000 0.499 83 V N 1.935 121.814 119.914 -0.058 0.000 2.357 83 V HA 0.336 4.455 4.120 -0.003 0.000 0.284 83 V C 0.403 176.474 176.094 -0.039 0.000 1.018 83 V CA -0.594 61.678 62.300 -0.046 0.000 0.841 83 V CB 1.348 33.150 31.823 -0.034 0.000 0.991 83 V HN 0.647 nan 8.190 nan 0.000 0.437 84 I N 6.371 126.912 120.570 -0.048 0.000 2.574 84 I HA -0.000 4.168 4.170 -0.003 0.000 0.291 84 I C 1.442 177.547 176.117 -0.021 0.000 1.131 84 I CA 0.068 61.338 61.300 -0.049 0.000 1.352 84 I CB 0.675 38.630 38.000 -0.076 0.000 1.431 84 I HN 0.651 nan 8.210 nan 0.000 0.543 85 M N 3.916 123.521 119.600 0.010 0.000 2.200 85 M HA -0.014 4.464 4.480 -0.003 0.000 0.265 85 M C 0.404 176.723 176.300 0.032 0.000 1.066 85 M CA 1.249 56.564 55.300 0.025 0.000 1.127 85 M CB -1.132 31.494 32.600 0.043 0.000 1.379 85 M HN 0.642 nan 8.290 nan 0.000 0.420 86 D N -2.395 118.035 120.400 0.050 0.000 2.643 86 D HA 0.146 4.784 4.640 -0.003 0.000 0.283 86 D C -0.119 176.194 176.300 0.021 0.000 1.242 86 D CA -0.567 53.461 54.000 0.047 0.000 0.863 86 D CB 0.623 41.475 40.800 0.087 0.000 1.382 86 D HN -0.073 nan 8.370 nan 0.000 0.444 87 Q N -0.965 118.842 119.800 0.012 0.000 2.482 87 Q HA 0.137 4.475 4.340 -0.003 0.000 0.209 87 Q C 1.249 177.228 176.000 -0.036 0.000 0.961 87 Q CA 0.420 56.212 55.803 -0.019 0.000 0.945 87 Q CB 0.112 28.842 28.738 -0.013 0.000 1.012 87 Q HN 0.289 nan 8.270 nan 0.000 0.515 88 R N -1.415 119.077 120.500 -0.013 0.000 2.200 88 R HA 0.038 4.376 4.340 -0.003 0.000 0.208 88 R C 1.059 177.209 176.300 -0.250 0.000 1.033 88 R CA 0.831 56.887 56.100 -0.073 0.000 1.000 88 R CB 0.440 30.781 30.300 0.069 0.000 0.906 88 R HN 0.295 nan 8.270 nan 0.000 0.462 89 G N -0.452 108.210 108.800 -0.230 0.000 2.159 89 G HA2 -0.234 3.725 3.960 -0.003 0.000 0.170 89 G HA3 -0.234 3.725 3.960 -0.003 0.000 0.170 89 G C -0.365 174.336 174.900 -0.332 0.000 1.007 89 G CA -0.684 44.233 45.100 -0.304 0.000 0.672 89 G HN 0.217 nan 8.290 nan 0.000 0.507 90 Y N 0.169 120.425 120.300 -0.073 0.000 2.359 90 Y HA 0.639 5.188 4.550 -0.002 0.000 0.330 90 Y C 1.152 177.010 175.900 -0.071 0.000 1.143 90 Y CA -0.208 57.855 58.100 -0.062 0.000 1.318 90 Y CB 0.819 39.254 38.460 -0.043 0.000 1.234 90 Y HN 0.107 nan 8.280 nan 0.000 0.522 91 I N 4.784 125.401 120.570 0.078 0.000 2.498 91 I HA 0.342 4.510 4.170 -0.003 0.000 0.290 91 I C -0.573 175.552 176.117 0.013 0.000 1.032 91 I CA -0.640 60.665 61.300 0.007 0.000 1.073 91 I CB 1.738 39.709 38.000 -0.048 0.000 1.251 91 I HN 0.465 nan 8.210 nan 0.000 0.426 92 I N 4.056 124.623 120.570 -0.005 0.000 2.677 92 I HA 0.518 4.687 4.170 -0.003 0.000 0.305 92 I C 0.321 176.410 176.117 -0.047 0.000 0.988 92 I CA 0.012 61.301 61.300 -0.018 0.000 1.260 92 I CB 2.009 40.000 38.000 -0.015 0.000 1.410 92 I HN 0.595 nan 8.210 nan 0.000 0.523 93 T N 2.807 117.325 114.554 -0.061 0.000 2.677 93 T HA 0.242 4.591 4.350 -0.003 0.000 0.305 93 T C -1.422 173.208 174.700 -0.117 0.000 1.569 93 T CA -0.766 61.277 62.100 -0.096 0.000 0.984 93 T CB 0.981 69.784 68.868 -0.107 0.000 1.629 93 T HN 0.656 nan 8.240 nan 0.000 0.494 94 N N 1.227 119.813 118.700 -0.190 0.000 2.524 94 N HA 0.350 5.088 4.740 -0.003 0.000 0.283 94 N C 1.069 176.432 175.510 -0.245 0.000 1.142 94 N CA -0.663 52.242 53.050 -0.241 0.000 0.984 94 N CB 1.419 39.630 38.487 -0.460 0.000 1.155 94 N HN 0.580 nan 8.380 nan 0.000 0.467 95 K N 1.504 121.827 120.400 -0.127 0.000 2.002 95 K HA -0.204 4.114 4.320 -0.003 0.000 0.209 95 K C 1.728 178.282 176.600 -0.077 0.000 1.048 95 K CA 1.181 57.427 56.287 -0.068 0.000 0.930 95 K CB -0.148 32.351 32.500 -0.002 0.000 0.714 95 K HN 0.744 nan 8.250 nan 0.000 0.438 96 H N -0.296 118.758 119.070 -0.025 0.000 2.561 96 H HA -0.060 4.495 4.556 -0.003 0.000 0.289 96 H C 1.323 176.640 175.328 -0.019 0.000 1.054 96 H CA 1.006 57.038 56.048 -0.026 0.000 1.210 96 H CB -0.100 29.642 29.762 -0.033 0.000 1.353 96 H HN 0.090 nan 8.280 nan 0.000 0.601 97 V N 1.279 120.994 119.914 -0.333 0.000 2.672 97 V HA -0.106 4.012 4.120 -0.003 0.000 0.242 97 V C 2.273 178.317 176.094 -0.083 0.000 1.059 97 V CA 1.106 63.274 62.300 -0.221 0.000 1.081 97 V CB -0.091 31.544 31.823 -0.314 0.000 0.752 97 V HN 0.448 nan 8.190 nan 0.000 0.472 98 I N -2.069 118.452 120.570 -0.082 0.000 3.883 98 I HA 0.272 4.440 4.170 -0.003 0.000 0.326 98 I C 0.655 176.766 176.117 -0.011 0.000 1.283 98 I CA -0.647 60.632 61.300 -0.035 0.000 1.161 98 I CB -1.116 36.860 38.000 -0.039 0.000 1.012 98 I HN 0.006 nan 8.210 nan 0.000 0.421 99 N N 2.976 121.673 118.700 -0.005 0.000 2.294 99 N HA -0.123 4.615 4.740 -0.003 0.000 0.248 99 N C 0.199 175.716 175.510 0.011 0.000 1.242 99 N CA 1.003 54.058 53.050 0.008 0.000 0.848 99 N CB -0.035 38.464 38.487 0.020 0.000 1.084 99 N HN 0.271 nan 8.380 nan 0.000 0.457 100 D N -1.304 119.102 120.400 0.010 0.000 2.739 100 D HA -0.218 4.420 4.640 -0.003 0.000 0.230 100 D C -0.466 175.842 176.300 0.013 0.000 1.167 100 D CA 0.745 54.751 54.000 0.010 0.000 0.640 100 D CB -1.047 39.758 40.800 0.010 0.000 1.045 100 D HN 0.549 nan 8.370 nan 0.000 0.421 101 A N 0.439 123.267 122.820 0.014 0.000 2.276 101 A HA 0.273 4.591 4.320 -0.003 0.000 0.300 101 A C 1.130 178.725 177.584 0.019 0.000 1.235 101 A CA -0.521 51.527 52.037 0.019 0.000 0.867 101 A CB 0.798 19.811 19.000 0.021 0.000 1.137 101 A HN -0.114 nan 8.150 nan 0.000 0.527 102 D N 0.517 120.929 120.400 0.020 0.000 2.219 102 D HA -0.042 4.596 4.640 -0.003 0.000 0.205 102 D C 0.785 177.098 176.300 0.022 0.000 0.970 102 D CA 1.435 55.446 54.000 0.018 0.000 0.851 102 D CB 0.369 41.179 40.800 0.017 0.000 0.943 102 D HN 0.747 nan 8.370 nan 0.000 0.488 103 Q N -0.472 119.345 119.800 0.028 0.000 2.553 103 Q HA 0.573 4.911 4.340 -0.003 0.000 0.293 103 Q C -1.698 174.328 176.000 0.043 0.000 1.038 103 Q CA -0.669 55.154 55.803 0.034 0.000 0.777 103 Q CB 2.186 30.945 28.738 0.036 0.000 1.487 103 Q HN -0.086 nan 8.270 nan 0.000 0.426 104 I N 2.765 123.364 120.570 0.049 0.000 2.548 104 I HA 0.369 4.538 4.170 -0.003 0.000 0.287 104 I C -1.009 175.155 176.117 0.077 0.000 1.103 104 I CA -0.767 60.567 61.300 0.056 0.000 1.049 104 I CB 1.748 39.765 38.000 0.029 0.000 1.232 104 I HN 0.496 nan 8.210 nan 0.000 0.429 105 I N 6.530 127.174 120.570 0.122 0.000 2.493 105 I HA 0.512 4.680 4.170 -0.003 0.000 0.298 105 I C -0.142 176.039 176.117 0.107 0.000 0.998 105 I CA -0.889 60.508 61.300 0.161 0.000 1.137 105 I CB 2.134 40.285 38.000 0.251 0.000 1.310 105 I HN 0.140 nan 8.210 nan 0.000 0.445 106 V N 4.640 124.619 119.914 0.108 0.000 2.604 106 V HA 0.809 4.927 4.120 -0.003 0.000 0.305 106 V C -0.075 176.095 176.094 0.127 0.000 1.043 106 V CA -0.573 61.746 62.300 0.031 0.000 0.888 106 V CB 1.926 33.761 31.823 0.019 0.000 0.995 106 V HN 0.902 nan 8.190 nan 0.000 0.429 107 A N 5.629 128.473 122.820 0.040 0.000 2.371 107 A HA 0.876 5.194 4.320 -0.003 0.000 0.311 107 A C -1.005 176.625 177.584 0.077 0.000 1.068 107 A CA -0.568 51.543 52.037 0.123 0.000 0.744 107 A CB 1.146 20.250 19.000 0.174 0.000 1.239 107 A HN 0.746 nan 8.150 nan 0.000 0.435 108 L N 1.552 122.850 121.223 0.125 0.000 2.399 108 L HA 0.306 4.644 4.340 -0.003 0.000 0.265 108 L C 1.027 177.934 176.870 0.062 0.000 1.089 108 L CA -0.925 53.962 54.840 0.079 0.000 0.802 108 L CB 0.966 43.091 42.059 0.111 0.000 1.180 108 L HN 0.761 nan 8.230 nan 0.000 0.454 109 Q N 1.047 120.869 119.800 0.037 0.000 2.364 109 Q HA -0.138 4.201 4.340 -0.003 0.000 0.207 109 Q C 0.994 177.017 176.000 0.038 0.000 0.970 109 Q CA 0.973 56.796 55.803 0.034 0.000 0.888 109 Q CB -0.260 28.491 28.738 0.020 0.000 0.951 109 Q HN 0.745 nan 8.270 nan 0.000 0.469 110 D N -1.528 118.900 120.400 0.047 0.000 2.349 110 D HA 0.086 4.724 4.640 -0.003 0.000 0.224 110 D C 1.207 177.537 176.300 0.050 0.000 1.029 110 D CA 0.822 54.849 54.000 0.045 0.000 0.879 110 D CB 0.081 40.910 40.800 0.049 0.000 0.906 110 D HN 0.208 nan 8.370 nan 0.000 0.528 111 G N 0.127 108.962 108.800 0.059 0.000 2.284 111 G HA2 -0.313 3.646 3.960 -0.003 0.000 0.230 111 G HA3 -0.313 3.646 3.960 -0.003 0.000 0.230 111 G C 0.386 175.318 174.900 0.053 0.000 1.021 111 G CA -0.171 44.959 45.100 0.051 0.000 0.619 111 G HN 0.431 nan 8.290 nan 0.000 0.510 112 R N 0.424 120.973 120.500 0.083 0.000 2.570 112 R HA 0.413 4.751 4.340 -0.003 0.000 0.277 112 R C -0.138 176.213 176.300 0.084 0.000 1.039 112 R CA 0.336 56.470 56.100 0.056 0.000 1.065 112 R CB 1.009 31.438 30.300 0.214 0.000 0.964 112 R HN 0.158 nan 8.270 nan 0.000 0.428 113 V N 4.796 124.604 119.914 -0.177 0.000 2.555 113 V HA 0.522 4.641 4.120 -0.003 0.000 0.302 113 V C -0.618 175.280 176.094 -0.327 0.000 1.038 113 V CA -0.621 61.642 62.300 -0.062 0.000 0.887 113 V CB 1.319 33.129 31.823 -0.022 0.000 0.991 113 V HN 0.497 nan 8.190 nan 0.000 0.434 114 F N 1.004 120.965 119.950 0.018 0.000 2.603 114 F HA 0.551 5.076 4.527 -0.003 0.000 0.317 114 F C 0.091 175.898 175.800 0.011 0.000 1.066 114 F CA -0.988 57.015 58.000 0.005 0.000 0.941 114 F CB 1.781 40.772 39.000 -0.014 0.000 1.291 114 F HN 0.469 nan 8.300 nan 0.000 0.472 115 E N 1.125 121.440 120.200 0.192 0.000 2.249 115 E HA 0.706 5.054 4.350 -0.003 0.000 0.280 115 E C -1.251 175.413 176.600 0.106 0.000 1.016 115 E CA -0.623 55.844 56.400 0.112 0.000 0.830 115 E CB 1.283 31.024 29.700 0.068 0.000 1.081 115 E HN 0.733 nan 8.360 nan 0.000 0.395 116 A N 5.112 127.972 122.820 0.067 0.000 2.330 116 A HA 0.399 4.717 4.320 -0.003 0.000 0.327 116 A C -1.031 176.564 177.584 0.018 0.000 1.155 116 A CA -0.816 51.240 52.037 0.031 0.000 0.803 116 A CB 1.061 20.067 19.000 0.011 0.000 1.208 116 A HN 0.655 nan 8.150 nan 0.000 0.477 117 L N 3.916 125.142 121.223 0.005 0.000 2.264 117 L HA 0.438 4.776 4.340 -0.003 0.000 0.289 117 L C -0.753 176.125 176.870 0.014 0.000 1.044 117 L CA -0.424 54.421 54.840 0.009 0.000 0.807 117 L CB 0.814 42.874 42.059 0.002 0.000 1.192 117 L HN 0.822 nan 8.230 nan 0.000 0.425 118 L N 6.357 127.590 121.223 0.017 0.000 2.369 118 L HA 0.099 4.438 4.340 -0.003 0.000 0.279 118 L C 1.016 177.904 176.870 0.030 0.000 1.108 118 L CA -0.220 54.631 54.840 0.019 0.000 0.852 118 L CB 1.409 43.475 42.059 0.012 0.000 1.169 118 L HN 0.723 nan 8.230 nan 0.000 0.452 119 V N 2.714 122.656 119.914 0.047 0.000 3.621 119 V HA 0.610 4.728 4.120 -0.003 0.000 0.285 119 V C 0.507 176.622 176.094 0.035 0.000 1.346 119 V CA 0.740 63.076 62.300 0.060 0.000 1.104 119 V CB -0.392 31.506 31.823 0.125 0.000 0.913 119 V HN 0.927 nan 8.190 nan 0.000 0.432 120 G N -0.183 108.630 108.800 0.021 0.000 2.350 120 G HA2 0.470 4.428 3.960 -0.003 0.000 0.305 120 G HA3 0.470 4.428 3.960 -0.003 0.000 0.305 120 G C -0.763 174.137 174.900 -0.001 0.000 1.479 120 G CA 0.045 45.150 45.100 0.008 0.000 0.949 120 G HN 1.414 nan 8.290 nan 0.000 0.651 121 S N -0.882 114.816 115.700 -0.003 0.000 2.776 121 S HA 0.880 5.348 4.470 -0.003 0.000 0.292 121 S C -1.760 172.837 174.600 -0.005 0.000 1.187 121 S CA -0.090 58.106 58.200 -0.007 0.000 0.834 121 S CB 2.648 65.844 63.200 -0.006 0.000 1.199 121 S HN 1.617 nan 8.310 nan 0.000 0.514 122 D N -1.225 119.174 120.400 -0.001 0.000 2.804 122 D HA 0.506 5.144 4.640 -0.003 0.000 0.209 122 D C 0.276 176.585 176.300 0.016 0.000 1.314 122 D CA -0.363 53.638 54.000 0.003 0.000 0.894 122 D CB 1.775 42.572 40.800 -0.006 0.000 1.615 122 D HN 0.281 nan 8.370 nan 0.000 0.571 123 S N 2.241 117.955 115.700 0.023 0.000 2.357 123 S HA -0.045 4.423 4.470 -0.003 0.000 0.221 123 S C 1.802 176.431 174.600 0.049 0.000 1.031 123 S CA 0.565 58.786 58.200 0.035 0.000 0.982 123 S CB -0.208 63.012 63.200 0.033 0.000 0.853 123 S HN 0.636 nan 8.310 nan 0.000 0.458 124 L N 1.870 123.117 121.223 0.040 0.000 2.651 124 L HA -0.041 4.297 4.340 -0.003 0.000 0.236 124 L C 1.779 178.705 176.870 0.095 0.000 1.173 124 L CA 1.238 56.107 54.840 0.048 0.000 0.843 124 L CB -1.045 41.011 42.059 -0.005 0.000 0.964 124 L HN 0.523 nan 8.230 nan 0.000 0.454 125 T N -7.524 107.086 114.554 0.092 0.000 3.252 125 T HA 0.051 4.400 4.350 -0.003 0.000 0.295 125 T C 0.624 175.351 174.700 0.045 0.000 0.897 125 T CA 0.226 62.394 62.100 0.115 0.000 0.905 125 T CB 0.106 69.016 68.868 0.070 0.000 1.202 125 T HN 0.107 nan 8.240 nan 0.000 0.592 126 D N 0.486 120.917 120.400 0.052 0.000 2.983 126 D HA -0.140 4.498 4.640 -0.003 0.000 0.225 126 D C -0.408 175.891 176.300 -0.003 0.000 1.174 126 D CA 0.692 54.722 54.000 0.051 0.000 0.831 126 D CB -1.692 39.171 40.800 0.104 0.000 1.104 126 D HN 0.680 nan 8.370 nan 0.000 0.421 127 L N -0.345 120.869 121.223 -0.016 0.000 2.334 127 L HA 0.733 5.071 4.340 -0.003 0.000 0.277 127 L C 0.607 177.456 176.870 -0.034 0.000 1.075 127 L CA -0.195 54.623 54.840 -0.036 0.000 0.804 127 L CB 1.558 43.599 42.059 -0.030 0.000 1.174 127 L HN 0.159 nan 8.230 nan 0.000 0.438 128 A N 2.881 125.674 122.820 -0.044 0.000 2.475 128 A HA 0.770 5.089 4.320 -0.003 0.000 0.301 128 A C -1.268 176.302 177.584 -0.024 0.000 1.059 128 A CA -0.467 51.549 52.037 -0.034 0.000 0.710 128 A CB 1.991 20.962 19.000 -0.048 0.000 1.288 128 A HN 0.345 nan 8.150 nan 0.000 0.408 129 V N 3.315 123.227 119.914 -0.004 0.000 2.409 129 V HA 0.451 4.569 4.120 -0.003 0.000 0.291 129 V C -0.031 176.092 176.094 0.048 0.000 1.020 129 V CA -0.279 62.036 62.300 0.026 0.000 0.848 129 V CB 1.003 32.847 31.823 0.034 0.000 0.990 129 V HN 0.797 nan 8.190 nan 0.000 0.430 130 L N 3.378 124.627 121.223 0.043 0.000 2.421 130 L HA 0.779 5.118 4.340 -0.003 0.000 0.267 130 L C -0.311 176.582 176.870 0.039 0.000 1.036 130 L CA -1.091 53.764 54.840 0.024 0.000 0.829 130 L CB 1.600 43.650 42.059 -0.016 0.000 1.437 130 L HN 0.595 nan 8.230 nan 0.000 0.488 131 K N 1.318 121.696 120.400 -0.037 0.000 2.606 131 K HA 0.431 4.749 4.320 -0.003 0.000 0.259 131 K C -1.461 175.048 176.600 -0.152 0.000 1.001 131 K CA -0.369 55.823 56.287 -0.158 0.000 0.881 131 K CB 1.317 33.684 32.500 -0.223 0.000 1.288 131 K HN 0.563 nan 8.250 nan 0.000 0.452 132 I N 0.097 120.544 120.570 -0.206 0.000 2.577 132 I HA 0.484 4.652 4.170 -0.003 0.000 0.305 132 I C -0.327 175.675 176.117 -0.191 0.000 0.986 132 I CA -0.768 60.424 61.300 -0.180 0.000 1.189 132 I CB 1.809 39.581 38.000 -0.380 0.000 1.355 132 I HN 0.536 nan 8.210 nan 0.000 0.476 133 N N 4.143 122.813 118.700 -0.050 0.000 2.817 133 N HA 0.410 5.148 4.740 -0.003 0.000 0.234 133 N C -1.004 174.532 175.510 0.043 0.000 1.066 133 N CA -0.258 52.774 53.050 -0.031 0.000 0.926 133 N CB 1.150 39.644 38.487 0.011 0.000 1.176 133 N HN 0.863 nan 8.380 nan 0.000 0.506 134 A N 2.286 125.058 122.820 -0.080 0.000 2.252 134 A HA 0.355 4.674 4.320 -0.003 0.000 0.309 134 A C 0.486 178.083 177.584 0.022 0.000 1.285 134 A CA -0.529 51.503 52.037 -0.007 0.000 0.900 134 A CB 0.488 19.343 19.000 -0.242 0.000 1.157 134 A HN 0.524 nan 8.150 nan 0.000 0.536 135 T N 0.151 114.758 114.554 0.088 0.000 2.902 135 T HA 0.601 4.949 4.350 -0.003 0.000 0.283 135 T C 1.014 175.753 174.700 0.066 0.000 1.009 135 T CA 0.598 62.730 62.100 0.053 0.000 1.051 135 T CB 1.316 70.215 68.868 0.051 0.000 0.999 135 T HN 2.311 nan 8.240 nan 0.000 0.474 136 G N 1.024 109.848 108.800 0.040 0.000 2.213 136 G HA2 0.312 4.271 3.960 -0.003 0.000 0.236 136 G HA3 0.312 4.271 3.960 -0.003 0.000 0.236 136 G C 0.948 175.867 174.900 0.031 0.000 0.991 136 G CA 0.275 45.399 45.100 0.040 0.000 0.629 136 G HN 2.590 nan 8.290 nan 0.000 0.517 137 G N -1.089 107.722 108.800 0.019 0.000 2.784 137 G HA2 0.312 4.271 3.960 -0.003 0.000 0.686 137 G HA3 0.312 4.271 3.960 -0.003 0.000 0.686 137 G C -0.755 174.139 174.900 -0.009 0.000 1.156 137 G CA -0.190 44.911 45.100 0.002 0.000 0.757 137 G HN 1.202 nan 8.290 nan 0.000 0.642 138 L N 3.103 124.305 121.223 -0.036 0.000 2.381 138 L HA 0.645 4.983 4.340 -0.003 0.000 0.268 138 L C -1.800 175.043 176.870 -0.044 0.000 0.997 138 L CA -2.102 52.701 54.840 -0.062 0.000 0.818 138 L CB 2.859 44.845 42.059 -0.120 0.000 1.310 138 L HN 0.525 nan 8.230 nan 0.000 0.416 139 P HA 0.201 nan 4.420 nan 0.000 0.279 139 P C -1.027 176.251 177.300 -0.037 0.000 1.239 139 P CA -0.218 62.865 63.100 -0.029 0.000 0.789 139 P CB 1.215 32.903 31.700 -0.022 0.000 0.933 140 T N -0.003 114.534 114.554 -0.029 0.000 2.848 140 T HA 0.366 4.714 4.350 -0.003 0.000 0.285 140 T C 0.067 174.750 174.700 -0.028 0.000 0.995 140 T CA -0.966 61.117 62.100 -0.028 0.000 0.970 140 T CB 0.907 69.764 68.868 -0.019 0.000 0.976 140 T HN 0.185 nan 8.240 nan 0.000 0.441 141 I N 4.243 124.795 120.570 -0.031 0.000 2.742 141 I HA 0.229 4.397 4.170 -0.003 0.000 0.287 141 I C -2.236 173.852 176.117 -0.047 0.000 1.186 141 I CA -1.739 59.537 61.300 -0.039 0.000 1.417 141 I CB 0.080 38.056 38.000 -0.040 0.000 1.377 141 I HN 0.505 nan 8.210 nan 0.000 0.556 142 P HA 0.185 nan 4.420 nan 0.000 0.264 142 P C -0.881 176.355 177.300 -0.105 0.000 1.193 142 P CA 0.496 63.555 63.100 -0.067 0.000 0.763 142 P CB 0.274 31.934 31.700 -0.067 0.000 0.810 143 I N 2.879 123.393 120.570 -0.094 0.000 2.647 143 I HA 0.382 4.551 4.170 -0.003 0.000 0.295 143 I C -0.076 175.976 176.117 -0.109 0.000 1.078 143 I CA -0.673 60.545 61.300 -0.136 0.000 1.048 143 I CB 2.469 40.444 38.000 -0.042 0.000 1.239 143 I HN 0.236 nan 8.210 nan 0.000 0.421 144 N N 4.059 122.657 118.700 -0.171 0.000 2.675 144 N HA 0.343 5.081 4.740 -0.003 0.000 0.254 144 N C 0.211 175.755 175.510 0.057 0.000 1.224 144 N CA -0.313 52.700 53.050 -0.063 0.000 0.777 144 N CB 1.676 40.108 38.487 -0.091 0.000 1.256 144 N HN 0.741 nan 8.380 nan 0.000 0.531 145 A N 2.702 125.626 122.820 0.173 0.000 2.131 145 A HA -0.097 4.221 4.320 -0.003 0.000 0.220 145 A C 1.931 179.631 177.584 0.193 0.000 1.158 145 A CA 0.963 53.175 52.037 0.291 0.000 0.665 145 A CB -0.101 19.002 19.000 0.171 0.000 0.795 145 A HN 0.579 nan 8.150 nan 0.000 0.460 146 R N -0.713 119.857 120.500 0.115 0.000 2.240 146 R HA 0.027 4.366 4.340 -0.003 0.000 0.203 146 R C 0.894 177.242 176.300 0.079 0.000 1.011 146 R CA 0.248 56.394 56.100 0.076 0.000 1.007 146 R CB -0.300 30.027 30.300 0.046 0.000 0.911 146 R HN 0.500 nan 8.270 nan 0.000 0.468 147 R N 1.434 121.992 120.500 0.096 0.000 2.347 147 R HA 0.094 4.432 4.340 -0.003 0.000 0.304 147 R C -0.699 175.650 176.300 0.082 0.000 1.072 147 R CA 0.025 56.159 56.100 0.057 0.000 0.980 147 R CB 0.922 31.215 30.300 -0.011 0.000 0.986 147 R HN -0.159 nan 8.270 nan 0.000 0.448 148 V N 7.808 127.701 119.914 -0.034 0.000 2.350 148 V HA 0.455 4.574 4.120 -0.003 0.000 0.276 148 V C -2.290 173.554 176.094 -0.416 0.000 1.028 148 V CA -2.627 59.598 62.300 -0.125 0.000 0.860 148 V CB 1.410 33.181 31.823 -0.085 0.000 0.990 148 V HN 0.820 nan 8.190 nan 0.000 0.453 149 P HA 0.279 nan 4.420 nan 0.000 0.268 149 P C -1.146 175.975 177.300 -0.298 0.000 1.205 149 P CA 0.323 63.309 63.100 -0.189 0.000 0.771 149 P CB 0.218 31.930 31.700 0.022 0.000 0.858 150 H N 1.789 120.889 119.070 0.051 0.000 2.717 150 H HA 0.298 4.853 4.556 -0.003 0.000 0.366 150 H C 0.231 175.578 175.328 0.031 0.000 1.132 150 H CA -0.786 55.285 56.048 0.038 0.000 1.180 150 H CB 1.073 30.854 29.762 0.031 0.000 1.678 150 H HN 0.249 nan 8.280 nan 0.000 0.537 151 I N 1.785 122.456 120.570 0.168 0.000 2.741 151 I HA -0.043 4.126 4.170 -0.003 0.000 0.288 151 I C 1.522 177.686 176.117 0.078 0.000 1.192 151 I CA 1.503 62.859 61.300 0.093 0.000 1.426 151 I CB -0.126 37.914 38.000 0.067 0.000 1.367 151 I HN 1.068 nan 8.210 nan 0.000 0.563 152 G N 5.289 114.121 108.800 0.054 0.000 2.213 152 G HA2 -0.189 3.769 3.960 -0.003 0.000 0.226 152 G HA3 -0.189 3.769 3.960 -0.003 0.000 0.226 152 G C 0.069 174.994 174.900 0.042 0.000 0.992 152 G CA -0.408 44.716 45.100 0.040 0.000 0.632 152 G HN 0.549 nan 8.290 nan 0.000 0.511 153 D N 1.124 121.559 120.400 0.058 0.000 2.425 153 D HA 0.388 5.027 4.640 -0.003 0.000 0.247 153 D C 1.019 177.320 176.300 0.001 0.000 1.147 153 D CA -0.022 54.005 54.000 0.046 0.000 0.879 153 D CB 1.660 42.490 40.800 0.051 0.000 1.179 153 D HN 0.179 nan 8.370 nan 0.000 0.456 154 V N 2.594 122.502 119.914 -0.010 0.000 2.740 154 V HA 0.169 4.287 4.120 -0.003 0.000 0.303 154 V C 0.547 176.568 176.094 -0.121 0.000 1.054 154 V CA 0.156 62.403 62.300 -0.088 0.000 1.106 154 V CB 1.452 33.211 31.823 -0.107 0.000 0.957 154 V HN 0.312 nan 8.190 nan 0.000 0.486 155 V N 6.343 126.155 119.914 -0.170 0.000 3.012 155 V HA 0.575 4.693 4.120 -0.003 0.000 0.307 155 V C -1.016 174.972 176.094 -0.177 0.000 1.166 155 V CA -0.551 61.664 62.300 -0.142 0.000 0.974 155 V CB 2.285 34.059 31.823 -0.081 0.000 1.040 155 V HN 0.713 nan 8.190 nan 0.000 0.428 156 L N 4.742 125.875 121.223 -0.149 0.000 2.330 156 L HA 0.930 5.268 4.340 -0.003 0.000 0.271 156 L C -0.002 176.820 176.870 -0.079 0.000 1.013 156 L CA -0.778 53.985 54.840 -0.129 0.000 0.816 156 L CB 1.975 43.967 42.059 -0.113 0.000 1.287 156 L HN 0.759 nan 8.230 nan 0.000 0.435 157 A N 3.516 126.299 122.820 -0.061 0.000 2.285 157 A HA 0.731 5.049 4.320 -0.003 0.000 0.310 157 A C -0.611 176.956 177.584 -0.028 0.000 1.266 157 A CA -0.401 51.612 52.037 -0.041 0.000 0.832 157 A CB 0.330 19.309 19.000 -0.034 0.000 1.163 157 A HN 0.620 nan 8.150 nan 0.000 0.499 158 I N 2.485 123.038 120.570 -0.027 0.000 2.359 158 I HA 0.707 4.875 4.170 -0.003 0.000 0.294 158 I C 0.785 176.890 176.117 -0.020 0.000 0.987 158 I CA -0.113 61.175 61.300 -0.020 0.000 1.225 158 I CB 1.803 39.790 38.000 -0.023 0.000 1.366 158 I HN 0.772 nan 8.210 nan 0.000 0.466 159 G N 4.201 112.993 108.800 -0.012 0.000 2.430 159 G HA2 0.161 4.120 3.960 -0.003 0.000 0.300 159 G HA3 0.161 4.120 3.960 -0.003 0.000 0.300 159 G C -1.770 173.130 174.900 0.000 0.000 1.330 159 G CA -0.742 44.348 45.100 -0.016 0.000 0.813 159 G HN 0.645 nan 8.290 nan 0.000 0.487 160 N N 1.310 120.008 118.700 -0.004 0.000 2.844 160 N HA 0.386 5.124 4.740 -0.003 0.000 0.268 160 N C -2.626 172.912 175.510 0.047 0.000 1.574 160 N CA -1.498 51.567 53.050 0.025 0.000 0.838 160 N CB 1.860 40.355 38.487 0.013 0.000 1.177 160 N HN 0.293 nan 8.380 nan 0.000 0.495 161 P HA 0.016 nan 4.420 nan 0.000 0.274 161 P C -0.435 177.045 177.300 0.300 0.000 1.231 161 P CA 0.420 63.625 63.100 0.174 0.000 0.790 161 P CB 0.555 32.418 31.700 0.271 0.000 0.951 162 Y N -0.391 119.971 120.300 0.103 0.000 4.317 162 Y HA -0.307 4.241 4.550 -0.003 0.000 0.212 162 Y C 1.165 177.121 175.900 0.094 0.000 1.080 162 Y CA 1.523 59.692 58.100 0.115 0.000 1.735 162 Y CB -2.989 35.523 38.460 0.087 0.000 1.567 162 Y HN 0.623 nan 8.280 nan 0.000 0.619 163 N N -0.312 118.495 118.700 0.178 0.000 2.705 163 N HA -0.250 4.489 4.740 -0.003 0.000 0.255 163 N C 0.372 175.966 175.510 0.141 0.000 1.008 163 N CA 0.452 53.593 53.050 0.152 0.000 0.742 163 N CB -0.877 37.701 38.487 0.151 0.000 0.906 163 N HN 0.596 nan 8.380 nan 0.000 0.541 164 L N 0.093 121.398 121.223 0.137 0.000 2.607 164 L HA 0.296 4.635 4.340 -0.003 0.000 0.228 164 L C 1.305 178.223 176.870 0.079 0.000 1.123 164 L CA 0.623 55.524 54.840 0.102 0.000 0.890 164 L CB 0.150 42.265 42.059 0.092 0.000 1.103 164 L HN 0.546 nan 8.230 nan 0.000 0.468 165 G N 0.229 109.079 108.800 0.084 0.000 2.612 165 G HA2 -0.221 3.737 3.960 -0.003 0.000 0.686 165 G HA3 -0.221 3.737 3.960 -0.003 0.000 0.686 165 G C -0.638 174.293 174.900 0.052 0.000 1.274 165 G CA -0.795 44.345 45.100 0.067 0.000 0.849 165 G HN 0.089 nan 8.290 nan 0.000 0.595 166 Q N -0.002 119.820 119.800 0.038 0.000 2.269 166 Q HA 0.436 4.774 4.340 -0.003 0.000 0.300 166 Q C 0.709 176.725 176.000 0.026 0.000 1.070 166 Q CA 1.103 56.921 55.803 0.025 0.000 0.957 166 Q CB 0.184 28.932 28.738 0.016 0.000 1.131 166 Q HN 1.232 nan 8.270 nan 0.000 0.377 167 T N 2.295 116.864 114.554 0.024 0.000 2.886 167 T HA 0.625 4.973 4.350 -0.003 0.000 0.292 167 T C -0.479 174.229 174.700 0.013 0.000 1.012 167 T CA -0.979 61.135 62.100 0.022 0.000 0.982 167 T CB 0.941 69.828 68.868 0.030 0.000 1.018 167 T HN 0.391 nan 8.240 nan 0.000 0.451 168 I N 3.196 123.772 120.570 0.010 0.000 2.525 168 I HA 0.684 4.853 4.170 -0.003 0.000 0.301 168 I C 0.523 176.638 176.117 -0.004 0.000 0.992 168 I CA -0.554 60.747 61.300 0.001 0.000 1.162 168 I CB 1.554 39.558 38.000 0.006 0.000 1.332 168 I HN 1.091 nan 8.210 nan 0.000 0.458 169 T N 2.033 116.575 114.554 -0.020 0.000 2.956 169 T HA 0.643 4.991 4.350 -0.003 0.000 0.312 169 T C -0.837 173.825 174.700 -0.063 0.000 1.151 169 T CA -0.909 61.174 62.100 -0.028 0.000 1.024 169 T CB 2.173 71.030 68.868 -0.019 0.000 1.140 169 T HN 0.617 nan 8.240 nan 0.000 0.473 170 Q N 1.618 121.368 119.800 -0.082 0.000 2.297 170 Q HA 0.910 5.248 4.340 -0.003 0.000 0.268 170 Q C 0.070 175.999 176.000 -0.118 0.000 1.045 170 Q CA -0.666 55.046 55.803 -0.152 0.000 0.861 170 Q CB 1.910 30.491 28.738 -0.261 0.000 1.344 170 Q HN 1.134 nan 8.270 nan 0.000 0.452 171 G N 0.728 109.446 108.800 -0.136 0.000 2.694 171 G HA2 0.603 4.561 3.960 -0.003 0.000 0.246 171 G HA3 0.603 4.561 3.960 -0.003 0.000 0.246 171 G C -1.323 173.519 174.900 -0.096 0.000 1.205 171 G CA -0.453 44.591 45.100 -0.093 0.000 0.891 171 G HN 1.098 nan 8.290 nan 0.000 0.515 172 I N -2.296 118.235 120.570 -0.064 0.000 3.191 172 I HA 0.665 4.834 4.170 -0.003 0.000 0.313 172 I C -0.967 175.131 176.117 -0.031 0.000 1.193 172 I CA -1.473 59.800 61.300 -0.045 0.000 0.968 172 I CB 2.326 40.312 38.000 -0.023 0.000 1.262 172 I HN 0.389 nan 8.210 nan 0.000 0.456 173 I N 2.380 122.945 120.570 -0.008 0.000 2.379 173 I HA 0.151 4.320 4.170 -0.003 0.000 0.290 173 I C 0.688 176.813 176.117 0.014 0.000 1.063 173 I CA 0.156 61.460 61.300 0.008 0.000 1.351 173 I CB 1.384 39.404 38.000 0.033 0.000 1.410 173 I HN 0.653 nan 8.210 nan 0.000 0.505 174 S N 4.861 120.563 115.700 0.003 0.000 2.548 174 S HA 0.409 4.878 4.470 -0.003 0.000 0.215 174 S C 0.464 175.084 174.600 0.032 0.000 0.976 174 S CA -0.123 58.081 58.200 0.008 0.000 0.908 174 S CB 0.332 63.522 63.200 -0.017 0.000 0.781 174 S HN 0.792 nan 8.310 nan 0.000 0.519 175 A N 0.709 123.560 122.820 0.051 0.000 2.583 175 A HA 0.538 4.856 4.320 -0.003 0.000 0.298 175 A C 0.631 178.273 177.584 0.095 0.000 1.055 175 A CA -0.313 51.770 52.037 0.078 0.000 0.714 175 A CB 0.191 19.251 19.000 0.100 0.000 1.277 175 A HN 0.106 nan 8.150 nan 0.000 0.406 176 T N -0.415 114.195 114.554 0.093 0.000 2.953 176 T HA 0.514 4.862 4.350 -0.003 0.000 0.247 176 T C 1.451 176.216 174.700 0.109 0.000 1.029 176 T CA 1.221 63.378 62.100 0.095 0.000 1.144 176 T CB -0.622 68.293 68.868 0.080 0.000 0.870 176 T HN 2.775 nan 8.240 nan 0.000 0.446 177 G N 1.712 110.568 108.800 0.094 0.000 2.795 177 G HA2 -0.104 3.854 3.960 -0.003 0.000 0.664 177 G HA3 -0.104 3.854 3.960 -0.003 0.000 0.664 177 G C -0.879 174.051 174.900 0.051 0.000 1.381 177 G CA -0.829 44.322 45.100 0.085 0.000 0.853 177 G HN 0.707 nan 8.290 nan 0.000 0.545 178 R N -0.624 119.892 120.500 0.027 0.000 2.536 178 R HA 0.602 4.941 4.340 -0.003 0.000 0.279 178 R C 1.441 177.743 176.300 0.003 0.000 1.001 178 R CA -0.235 55.867 56.100 0.003 0.000 1.027 178 R CB 1.085 31.373 30.300 -0.019 0.000 1.096 178 R HN 0.800 nan 8.270 nan 0.000 0.502 179 I N -1.811 118.741 120.570 -0.029 0.000 3.891 179 I HA 0.319 4.488 4.170 -0.003 0.000 0.331 179 I C 0.605 176.691 176.117 -0.052 0.000 1.406 179 I CA -0.444 60.821 61.300 -0.057 0.000 1.139 179 I CB 0.323 38.252 38.000 -0.118 0.000 1.056 179 I HN 0.502 nan 8.210 nan 0.000 0.399 180 G N 1.101 109.879 108.800 -0.038 0.000 2.667 180 G HA2 0.225 4.184 3.960 -0.003 0.000 0.250 180 G HA3 0.225 4.184 3.960 -0.003 0.000 0.250 180 G C 0.137 175.011 174.900 -0.043 0.000 1.212 180 G CA -0.456 44.619 45.100 -0.042 0.000 0.874 180 G HN 0.316 nan 8.290 nan 0.000 0.561 181 L N -0.234 120.958 121.223 -0.053 0.000 2.585 181 L HA 0.251 4.589 4.340 -0.003 0.000 0.226 181 L C 1.062 177.876 176.870 -0.093 0.000 1.113 181 L CA -0.053 54.748 54.840 -0.065 0.000 0.876 181 L CB -0.561 41.458 42.059 -0.066 0.000 1.072 181 L HN 0.625 nan 8.230 nan 0.000 0.468 182 N N 1.578 120.226 118.700 -0.086 0.000 2.444 182 N HA 0.190 4.929 4.740 -0.003 0.000 0.271 182 N C -2.343 173.108 175.510 -0.097 0.000 1.069 182 N CA -1.474 51.512 53.050 -0.107 0.000 0.965 182 N CB 0.909 39.360 38.487 -0.060 0.000 1.092 182 N HN 0.038 nan 8.380 nan 0.000 0.476 183 P HA 0.069 nan 4.420 nan 0.000 0.271 183 P C -0.031 177.225 177.300 -0.074 0.000 1.220 183 P CA -0.088 62.960 63.100 -0.086 0.000 0.768 183 P CB 1.499 33.159 31.700 -0.067 0.000 0.848 184 T N 0.178 114.653 114.554 -0.133 0.000 3.075 184 T HA 0.501 4.849 4.350 -0.003 0.000 0.251 184 T C 0.805 175.401 174.700 -0.174 0.000 0.979 184 T CA 0.595 62.615 62.100 -0.132 0.000 1.033 184 T CB 0.080 68.859 68.868 -0.147 0.000 1.104 184 T HN 0.628 nan 8.240 nan 0.000 0.473 185 G N 0.541 109.158 108.800 -0.305 0.000 2.368 185 G HA2 0.425 4.383 3.960 -0.003 0.000 0.269 185 G HA3 0.425 4.383 3.960 -0.003 0.000 0.269 185 G C -0.405 174.105 174.900 -0.649 0.000 1.291 185 G CA 0.031 44.934 45.100 -0.327 0.000 0.903 185 G HN 0.470 nan 8.290 nan 0.000 0.483 186 R N -0.098 120.091 120.500 -0.518 0.000 2.702 186 R HA 0.546 4.884 4.340 -0.003 0.000 0.314 186 R C 1.321 177.195 176.300 -0.709 0.000 1.152 186 R CA 1.179 56.896 56.100 -0.640 0.000 1.097 186 R CB -0.755 29.337 30.300 -0.346 0.000 1.343 186 R HN 0.845 nan 8.270 nan 0.000 0.575 187 Q N -1.992 117.485 119.800 -0.539 0.000 2.288 187 Q HA 0.189 4.527 4.340 -0.003 0.000 0.256 187 Q C 0.026 175.930 176.000 -0.160 0.000 0.835 187 Q CA -0.356 55.298 55.803 -0.247 0.000 0.958 187 Q CB 0.405 29.054 28.738 -0.148 0.000 1.125 187 Q HN 0.282 nan 8.270 nan 0.000 0.513 188 N N 0.437 118.941 118.700 -0.326 0.000 2.451 188 N HA 0.240 4.978 4.740 -0.003 0.000 0.264 188 N C -1.181 174.270 175.510 -0.099 0.000 1.167 188 N CA 0.110 53.051 53.050 -0.182 0.000 0.898 188 N CB 0.272 38.645 38.487 -0.189 0.000 1.176 188 N HN 0.056 nan 8.380 nan 0.000 0.507 189 F N 0.050 120.028 119.950 0.047 0.000 2.590 189 F HA 0.485 5.011 4.527 -0.002 0.000 0.379 189 F C 0.482 176.374 175.800 0.153 0.000 1.154 189 F CA -1.109 56.948 58.000 0.095 0.000 1.136 189 F CB -0.049 39.031 39.000 0.132 0.000 1.601 189 F HN -0.194 nan 8.300 nan 0.000 0.504 190 L N 0.578 122.051 121.223 0.416 0.000 2.317 190 L HA 0.438 4.777 4.340 -0.003 0.000 0.281 190 L C -0.722 176.305 176.870 0.263 0.000 1.024 190 L CA -0.189 54.802 54.840 0.251 0.000 0.810 190 L CB 1.413 43.567 42.059 0.158 0.000 1.240 190 L HN 0.490 nan 8.230 nan 0.000 0.427 191 Q N 2.507 122.397 119.800 0.149 0.000 2.322 191 Q HA 0.500 4.838 4.340 -0.003 0.000 0.265 191 Q C -1.320 174.624 176.000 -0.093 0.000 0.985 191 Q CA -0.403 55.373 55.803 -0.045 0.000 0.849 191 Q CB 1.756 30.494 28.738 0.000 0.000 1.274 191 Q HN 0.676 nan 8.270 nan 0.000 0.449 192 T N 1.363 115.812 114.554 -0.176 0.000 2.912 192 T HA 0.167 4.516 4.350 -0.003 0.000 0.299 192 T C -0.148 174.472 174.700 -0.133 0.000 1.052 192 T CA -0.679 61.351 62.100 -0.116 0.000 0.996 192 T CB 0.941 69.762 68.868 -0.078 0.000 1.070 192 T HN 0.741 nan 8.240 nan 0.000 0.465 193 D N 2.579 122.924 120.400 -0.093 0.000 2.336 193 D HA 0.204 4.843 4.640 -0.003 0.000 0.229 193 D C 0.845 177.104 176.300 -0.068 0.000 1.061 193 D CA -0.271 53.681 54.000 -0.080 0.000 0.875 193 D CB -0.305 40.461 40.800 -0.058 0.000 0.904 193 D HN 0.595 nan 8.370 nan 0.000 0.525 194 A N 0.266 123.043 122.820 -0.071 0.000 2.445 194 A HA 0.323 4.641 4.320 -0.003 0.000 0.242 194 A C 0.536 178.091 177.584 -0.048 0.000 1.075 194 A CA -0.392 51.608 52.037 -0.061 0.000 0.777 194 A CB 0.266 19.226 19.000 -0.065 0.000 1.013 194 A HN 0.147 nan 8.150 nan 0.000 0.493 195 S N 2.100 117.781 115.700 -0.032 0.000 2.437 195 S HA 0.216 4.684 4.470 -0.003 0.000 0.304 195 S C -0.004 174.599 174.600 0.006 0.000 1.167 195 S CA -0.030 58.163 58.200 -0.012 0.000 1.106 195 S CB -0.532 62.666 63.200 -0.005 0.000 1.099 195 S HN 0.417 nan 8.310 nan 0.000 0.524 196 I N 4.835 125.411 120.570 0.010 0.000 2.307 196 I HA 0.333 4.501 4.170 -0.003 0.000 0.289 196 I C 0.423 176.589 176.117 0.082 0.000 1.021 196 I CA -0.432 60.889 61.300 0.034 0.000 1.224 196 I CB 0.172 38.182 38.000 0.017 0.000 1.376 196 I HN 0.458 nan 8.210 nan 0.000 0.470 197 N N 3.405 122.179 118.700 0.125 0.000 2.592 197 N HA 0.216 4.955 4.740 -0.003 0.000 0.292 197 N C -0.385 175.236 175.510 0.185 0.000 1.260 197 N CA -0.714 52.475 53.050 0.232 0.000 0.910 197 N CB 0.747 39.463 38.487 0.380 0.000 1.257 197 N HN 0.471 nan 8.380 nan 0.000 0.569 198 H N -0.696 118.414 119.070 0.066 0.000 3.017 198 H HA 0.336 4.890 4.556 -0.003 0.000 0.276 198 H C 0.920 176.187 175.328 -0.102 0.000 1.062 198 H CA 1.461 57.455 56.048 -0.090 0.000 1.486 198 H CB -0.500 29.090 29.762 -0.285 0.000 1.507 198 H HN 0.838 nan 8.280 nan 0.000 0.508 199 G N 4.334 112.907 108.800 -0.379 0.000 2.273 199 G HA2 -0.231 3.728 3.960 -0.003 0.000 0.162 199 G HA3 -0.231 3.728 3.960 -0.003 0.000 0.162 199 G C 0.893 175.734 174.900 -0.098 0.000 1.006 199 G CA 0.025 44.987 45.100 -0.230 0.000 0.704 199 G HN 0.595 nan 8.290 nan 0.000 0.487 200 N N 0.520 119.180 118.700 -0.066 0.000 2.282 200 N HA 0.129 4.867 4.740 -0.003 0.000 0.185 200 N C 0.723 176.211 175.510 -0.037 0.000 1.099 200 N CA 0.387 53.422 53.050 -0.025 0.000 0.878 200 N CB 0.380 38.875 38.487 0.014 0.000 0.993 200 N HN 0.288 nan 8.380 nan 0.000 0.481 201 S N -0.259 115.413 115.700 -0.047 0.000 2.544 201 S HA 0.288 4.756 4.470 -0.003 0.000 0.290 201 S C 1.386 175.928 174.600 -0.097 0.000 1.276 201 S CA 0.710 58.895 58.200 -0.025 0.000 1.075 201 S CB 0.627 63.855 63.200 0.047 0.000 0.849 201 S HN 0.580 nan 8.310 nan 0.000 0.494 202 G N 2.781 111.529 108.800 -0.087 0.000 2.268 202 G HA2 -0.210 3.748 3.960 -0.003 0.000 0.240 202 G HA3 -0.210 3.748 3.960 -0.003 0.000 0.240 202 G C 0.535 175.391 174.900 -0.074 0.000 1.010 202 G CA -0.036 45.005 45.100 -0.099 0.000 0.618 202 G HN 1.117 nan 8.290 nan 0.000 0.516 203 G N 0.332 109.094 108.800 -0.062 0.000 2.712 203 G HA2 0.614 4.572 3.960 -0.003 0.000 0.258 203 G HA3 0.614 4.572 3.960 -0.003 0.000 0.258 203 G C 0.463 175.339 174.900 -0.040 0.000 1.241 203 G CA 0.706 45.776 45.100 -0.050 0.000 0.923 203 G HN 1.622 nan 8.290 nan 0.000 0.548 204 A N -0.792 122.006 122.820 -0.037 0.000 2.306 204 A HA 0.695 5.014 4.320 -0.003 0.000 0.330 204 A C -0.554 177.009 177.584 -0.034 0.000 1.146 204 A CA -0.629 51.387 52.037 -0.035 0.000 0.827 204 A CB 1.339 20.315 19.000 -0.040 0.000 1.178 204 A HN 0.710 nan 8.150 nan 0.000 0.490 205 L N 3.344 124.547 121.223 -0.033 0.000 2.377 205 L HA 0.597 4.935 4.340 -0.003 0.000 0.270 205 L C -0.963 175.876 176.870 -0.051 0.000 0.991 205 L CA -0.561 54.257 54.840 -0.036 0.000 0.851 205 L CB 1.137 43.184 42.059 -0.020 0.000 1.218 205 L HN 0.723 nan 8.230 nan 0.000 0.420 206 V N 2.078 121.953 119.914 -0.065 0.000 2.769 206 V HA 0.629 4.747 4.120 -0.003 0.000 0.312 206 V C -0.244 175.801 176.094 -0.081 0.000 1.061 206 V CA -0.935 61.315 62.300 -0.083 0.000 0.931 206 V CB 1.794 33.571 31.823 -0.076 0.000 1.010 206 V HN 0.861 nan 8.190 nan 0.000 0.433 207 N N 1.912 120.562 118.700 -0.084 0.000 2.366 207 N HA 0.193 4.932 4.740 -0.003 0.000 0.277 207 N C 1.351 176.840 175.510 -0.036 0.000 1.275 207 N CA 0.108 53.120 53.050 -0.064 0.000 0.964 207 N CB 0.400 38.854 38.487 -0.054 0.000 1.167 207 N HN 1.003 nan 8.380 nan 0.000 0.568 208 S N -1.019 114.684 115.700 0.004 0.000 2.465 208 S HA -0.113 4.356 4.470 -0.003 0.000 0.241 208 S C 1.354 175.992 174.600 0.064 0.000 1.000 208 S CA 0.695 58.948 58.200 0.088 0.000 0.964 208 S CB -0.743 62.562 63.200 0.175 0.000 0.763 208 S HN 0.539 nan 8.310 nan 0.000 0.512 209 L N 0.247 121.479 121.223 0.015 0.000 2.607 209 L HA 0.375 4.713 4.340 -0.003 0.000 0.228 209 L C 1.981 178.840 176.870 -0.019 0.000 1.123 209 L CA 0.363 55.203 54.840 0.000 0.000 0.890 209 L CB -0.263 41.788 42.059 -0.013 0.000 1.103 209 L HN 0.584 nan 8.230 nan 0.000 0.468 210 G N 0.004 108.787 108.800 -0.029 0.000 2.194 210 G HA2 -0.238 3.720 3.960 -0.003 0.000 0.236 210 G HA3 -0.238 3.720 3.960 -0.003 0.000 0.236 210 G C 0.110 174.960 174.900 -0.083 0.000 0.987 210 G CA -0.365 44.708 45.100 -0.044 0.000 0.635 210 G HN 0.429 nan 8.290 nan 0.000 0.520 211 E N 0.518 120.653 120.200 -0.109 0.000 2.366 211 E HA 0.327 4.675 4.350 -0.003 0.000 0.266 211 E C 0.417 176.866 176.600 -0.252 0.000 1.015 211 E CA -0.582 55.706 56.400 -0.188 0.000 0.906 211 E CB 1.155 30.732 29.700 -0.204 0.000 0.979 211 E HN 0.288 nan 8.360 nan 0.000 0.443 212 L N 4.772 125.812 121.223 -0.306 0.000 2.597 212 L HA -0.091 4.247 4.340 -0.003 0.000 0.271 212 L C 0.623 177.226 176.870 -0.446 0.000 1.157 212 L CA 0.687 55.353 54.840 -0.290 0.000 0.928 212 L CB 0.233 42.165 42.059 -0.212 0.000 1.216 212 L HN 0.707 nan 8.230 nan 0.000 0.481 213 M N 3.471 122.953 119.600 -0.196 0.000 2.486 213 M HA 0.370 4.849 4.480 -0.003 0.000 0.264 213 M C 0.855 177.265 176.300 0.183 0.000 1.125 213 M CA 0.709 55.987 55.300 -0.037 0.000 1.144 213 M CB -0.471 32.122 32.600 -0.012 0.000 1.353 213 M HN 0.710 nan 8.290 nan 0.000 0.466 214 G N -0.113 108.745 108.800 0.097 0.000 2.441 214 G HA2 0.475 4.433 3.960 -0.003 0.000 0.294 214 G HA3 0.475 4.433 3.960 -0.003 0.000 0.294 214 G C -1.655 173.269 174.900 0.041 0.000 1.393 214 G CA -0.690 44.476 45.100 0.110 0.000 0.796 214 G HN -0.023 nan 8.290 nan 0.000 0.494 215 I N 1.295 121.874 120.570 0.016 0.000 2.362 215 I HA 0.265 4.434 4.170 -0.003 0.000 0.289 215 I C 0.086 176.178 176.117 -0.041 0.000 0.994 215 I CA -0.896 60.393 61.300 -0.019 0.000 1.158 215 I CB 0.860 38.841 38.000 -0.031 0.000 1.315 215 I HN 0.478 nan 8.210 nan 0.000 0.451 216 N N 4.512 123.192 118.700 -0.033 0.000 2.454 216 N HA 0.228 4.966 4.740 -0.003 0.000 0.260 216 N C -0.592 174.903 175.510 -0.024 0.000 1.218 216 N CA 0.524 53.560 53.050 -0.024 0.000 0.904 216 N CB 0.580 39.059 38.487 -0.014 0.000 1.065 216 N HN 0.516 nan 8.380 nan 0.000 0.462 217 T N 2.816 117.358 114.554 -0.021 0.000 3.548 217 T HA 0.175 4.523 4.350 -0.003 0.000 0.329 217 T C -1.430 173.306 174.700 0.060 0.000 0.960 217 T CA -0.571 61.527 62.100 -0.003 0.000 1.041 217 T CB 0.836 69.607 68.868 -0.162 0.000 1.065 217 T HN 0.163 nan 8.240 nan 0.000 0.459 218 L N 2.993 124.293 121.223 0.128 0.000 2.349 218 L HA 0.784 5.123 4.340 -0.003 0.000 0.278 218 L C -0.821 176.173 176.870 0.206 0.000 0.996 218 L CA -0.301 54.671 54.840 0.220 0.000 0.825 218 L CB 1.599 43.772 42.059 0.189 0.000 1.243 218 L HN 0.636 nan 8.230 nan 0.000 0.412 219 S N 3.935 119.792 115.700 0.261 0.000 2.596 219 S HA 0.299 4.767 4.470 -0.003 0.000 0.318 219 S C 0.651 175.425 174.600 0.290 0.000 1.097 219 S CA -0.512 57.825 58.200 0.227 0.000 1.080 219 S CB 0.332 63.613 63.200 0.135 0.000 0.991 219 S HN 0.548 nan 8.310 nan 0.000 0.471 220 F N 2.932 122.920 119.950 0.063 0.000 2.194 220 F HA -0.308 4.217 4.527 -0.003 0.000 0.283 220 F C 1.356 177.189 175.800 0.055 0.000 0.972 220 F CA 1.899 59.927 58.000 0.047 0.000 1.396 220 F CB -0.121 38.881 39.000 0.003 0.000 1.155 220 F HN 0.650 nan 8.300 nan 0.000 0.552 221 D N -0.180 120.321 120.400 0.168 0.000 2.378 221 D HA -0.092 4.547 4.640 -0.003 0.000 0.227 221 D C 0.802 177.128 176.300 0.043 0.000 1.012 221 D CA 0.518 54.574 54.000 0.094 0.000 0.905 221 D CB -0.128 40.725 40.800 0.088 0.000 0.895 221 D HN 0.144 nan 8.370 nan 0.000 0.532 222 K N 1.973 122.388 120.400 0.026 0.000 2.307 222 K HA 0.118 4.436 4.320 -0.003 0.000 0.285 222 K C 0.297 176.865 176.600 -0.053 0.000 1.073 222 K CA 0.225 56.518 56.287 0.009 0.000 0.996 222 K CB -0.092 32.421 32.500 0.022 0.000 0.994 222 K HN 0.191 nan 8.250 nan 0.000 0.452 223 S N 0.920 116.607 115.700 -0.021 0.000 2.754 223 S HA 0.047 4.516 4.470 -0.003 0.000 0.277 223 S C -0.337 174.258 174.600 -0.009 0.000 0.859 223 S CA -0.726 57.456 58.200 -0.029 0.000 1.014 223 S CB 0.191 63.354 63.200 -0.061 0.000 1.276 223 S HN 0.679 nan 8.310 nan 0.000 0.466 224 N N 0.891 119.587 118.700 -0.007 0.000 2.342 224 N HA 0.623 5.361 4.740 -0.003 0.000 0.128 224 N C -1.543 173.966 175.510 -0.001 0.000 1.745 224 N CA -0.549 52.502 53.050 0.001 0.000 1.221 224 N CB 0.528 39.018 38.487 0.005 0.000 1.349 224 N HN 0.640 nan 8.380 nan 0.000 0.294 225 D N -1.514 118.886 120.400 0.000 0.000 2.764 225 D HA 0.358 4.996 4.640 -0.003 0.000 0.227 225 D C -0.813 175.487 176.300 -0.002 0.000 1.347 225 D CA 0.428 54.427 54.000 -0.002 0.000 0.953 225 D CB 1.396 42.197 40.800 0.001 0.000 1.476 225 D HN 0.915 nan 8.370 nan 0.000 0.585 226 G N 3.473 112.270 108.800 -0.004 0.000 2.327 226 G HA2 0.118 4.077 3.960 -0.003 0.000 0.159 226 G HA3 0.118 4.077 3.960 -0.003 0.000 0.159 226 G C -0.246 174.651 174.900 -0.004 0.000 1.056 226 G CA 0.109 45.207 45.100 -0.003 0.000 0.751 226 G HN 0.777 nan 8.290 nan 0.000 0.488 227 E N -0.965 119.231 120.200 -0.007 0.000 5.742 227 E HA 0.134 4.482 4.350 -0.003 0.000 0.534 227 E C -0.351 176.243 176.600 -0.010 0.000 1.211 227 E CA 0.066 56.462 56.400 -0.007 0.000 2.861 227 E CB -0.912 28.786 29.700 -0.004 0.000 0.815 227 E HN 1.268 nan 8.360 nan 0.000 0.294 228 T N 2.015 116.562 114.554 -0.012 0.000 2.869 228 T HA 0.540 4.888 4.350 -0.003 0.000 0.295 228 T C -1.740 172.953 174.700 -0.011 0.000 0.987 228 T CA -1.000 61.091 62.100 -0.016 0.000 1.109 228 T CB 1.069 69.928 68.868 -0.015 0.000 0.932 228 T HN 0.343 nan 8.240 nan 0.000 0.518 229 P HA 0.254 nan 4.420 nan 0.000 0.277 229 P C -0.294 177.001 177.300 -0.008 0.000 1.354 229 P CA -0.284 62.814 63.100 -0.004 0.000 0.891 229 P CB 0.502 32.206 31.700 0.006 0.000 1.058 230 E N 2.392 122.585 120.200 -0.011 0.000 2.349 230 E HA 0.333 4.681 4.350 -0.003 0.000 0.262 230 E C 0.902 177.486 176.600 -0.027 0.000 1.088 230 E CA -0.396 55.995 56.400 -0.015 0.000 0.899 230 E CB 0.211 29.903 29.700 -0.013 0.000 1.044 230 E HN 0.621 nan 8.360 nan 0.000 0.420 231 G N 3.607 112.387 108.800 -0.034 0.000 2.416 231 G HA2 -0.240 3.719 3.960 -0.003 0.000 0.301 231 G HA3 -0.240 3.719 3.960 -0.003 0.000 0.301 231 G C 0.076 174.923 174.900 -0.089 0.000 0.985 231 G CA 0.829 45.898 45.100 -0.053 0.000 0.934 231 G HN 0.473 nan 8.290 nan 0.000 0.513 232 I N 0.880 121.385 120.570 -0.109 0.000 2.595 232 I HA 0.480 4.648 4.170 -0.003 0.000 0.275 232 I C 0.855 176.769 176.117 -0.338 0.000 1.092 232 I CA -0.383 60.793 61.300 -0.208 0.000 1.145 232 I CB 1.092 39.019 38.000 -0.120 0.000 1.276 232 I HN 0.173 nan 8.210 nan 0.000 0.497 233 G N 3.712 112.265 108.800 -0.411 0.000 2.489 233 G HA2 0.798 4.757 3.960 -0.003 0.000 0.327 233 G HA3 0.798 4.757 3.960 -0.003 0.000 0.327 233 G C -1.263 173.242 174.900 -0.659 0.000 1.189 233 G CA -0.379 44.490 45.100 -0.385 0.000 0.962 233 G HN 0.219 nan 8.290 nan 0.000 0.486 234 F N -0.193 119.784 119.950 0.045 0.000 2.546 234 F HA 0.748 5.274 4.527 -0.002 0.000 0.320 234 F C 0.473 176.239 175.800 -0.056 0.000 1.076 234 F CA -0.640 57.384 58.000 0.041 0.000 0.928 234 F CB 2.793 41.864 39.000 0.119 0.000 1.189 234 F HN 0.681 nan 8.300 nan 0.000 0.465 235 A N 2.292 125.184 122.820 0.119 0.000 2.498 235 A HA 0.802 5.120 4.320 -0.003 0.000 0.298 235 A C -1.229 176.314 177.584 -0.068 0.000 1.075 235 A CA -0.687 51.341 52.037 -0.016 0.000 0.714 235 A CB 1.127 20.136 19.000 0.016 0.000 1.299 235 A HN 0.712 nan 8.150 nan 0.000 0.407 236 I N 2.495 122.976 120.570 -0.149 0.000 2.352 236 I HA 0.246 4.415 4.170 -0.003 0.000 0.290 236 I C -2.096 174.043 176.117 0.035 0.000 1.036 236 I CA -1.799 59.444 61.300 -0.095 0.000 1.336 236 I CB 1.408 39.321 38.000 -0.146 0.000 1.407 236 I HN 0.382 nan 8.210 nan 0.000 0.497 237 P HA -0.167 nan 4.420 nan 0.000 0.263 237 P C 0.562 177.890 177.300 0.046 0.000 1.168 237 P CA 0.333 63.476 63.100 0.072 0.000 0.759 237 P CB 0.234 31.944 31.700 0.017 0.000 0.782 238 F N 2.416 122.363 119.950 -0.005 0.000 2.134 238 F HA -0.227 4.299 4.527 -0.002 0.000 0.299 238 F C 1.857 177.649 175.800 -0.013 0.000 1.097 238 F CA 1.197 59.187 58.000 -0.015 0.000 1.264 238 F CB -1.142 37.845 39.000 -0.021 0.000 1.001 238 F HN 0.165 nan 8.300 nan 0.000 0.479 239 Q N 1.199 120.348 119.800 -1.085 0.000 2.152 239 Q HA -0.196 4.142 4.340 -0.003 0.000 0.206 239 Q C 2.476 178.294 176.000 -0.304 0.000 0.985 239 Q CA 1.827 57.151 55.803 -0.798 0.000 0.863 239 Q CB -0.751 27.533 28.738 -0.756 0.000 0.904 239 Q HN 0.644 nan 8.270 nan 0.000 0.422 240 L N -0.468 120.640 121.223 -0.192 0.000 2.162 240 L HA -0.028 4.310 4.340 -0.003 0.000 0.205 240 L C 2.059 178.897 176.870 -0.052 0.000 1.086 240 L CA 1.000 55.786 54.840 -0.089 0.000 0.778 240 L CB -0.362 41.677 42.059 -0.033 0.000 0.928 240 L HN 0.120 nan 8.230 nan 0.000 0.446 241 A N -0.745 122.057 122.820 -0.030 0.000 1.972 241 A HA -0.192 4.126 4.320 -0.003 0.000 0.219 241 A C 2.170 179.745 177.584 -0.014 0.000 1.169 241 A CA 2.184 54.216 52.037 -0.009 0.000 0.635 241 A CB -0.776 18.237 19.000 0.022 0.000 0.810 241 A HN 0.448 nan 8.150 nan 0.000 0.446 242 T N -0.194 114.350 114.554 -0.017 0.000 2.668 242 T HA -0.110 4.238 4.350 -0.003 0.000 0.262 242 T C 1.963 176.634 174.700 -0.047 0.000 1.045 242 T CA 1.653 63.742 62.100 -0.018 0.000 1.152 242 T CB -0.190 68.672 68.868 -0.010 0.000 0.864 242 T HN 0.546 nan 8.240 nan 0.000 0.419 243 K N 0.551 120.914 120.400 -0.062 0.000 2.020 243 K HA -0.079 4.239 4.320 -0.003 0.000 0.212 243 K C 2.241 178.807 176.600 -0.057 0.000 1.050 243 K CA 1.452 57.702 56.287 -0.061 0.000 0.929 243 K CB -0.419 32.042 32.500 -0.065 0.000 0.714 243 K HN 0.316 nan 8.250 nan 0.000 0.443 244 I N 1.005 121.545 120.570 -0.050 0.000 2.179 244 I HA -0.314 3.855 4.170 -0.003 0.000 0.242 244 I C 2.712 178.796 176.117 -0.055 0.000 1.088 244 I CA 1.099 62.371 61.300 -0.046 0.000 1.357 244 I CB -0.165 37.815 38.000 -0.034 0.000 1.051 244 I HN 0.305 nan 8.210 nan 0.000 0.409 245 M N 0.784 120.349 119.600 -0.059 0.000 2.065 245 M HA -0.292 4.186 4.480 -0.003 0.000 0.259 245 M C 1.794 178.021 176.300 -0.123 0.000 1.069 245 M CA 2.158 57.409 55.300 -0.081 0.000 1.110 245 M CB -0.361 32.193 32.600 -0.077 0.000 1.328 245 M HN 0.156 nan 8.290 nan 0.000 0.405 246 D N 0.672 121.001 120.400 -0.119 0.000 2.133 246 D HA -0.186 4.453 4.640 -0.003 0.000 0.195 246 D C 1.928 178.163 176.300 -0.108 0.000 0.997 246 D CA 1.588 55.509 54.000 -0.133 0.000 0.840 246 D CB -0.309 40.434 40.800 -0.096 0.000 0.947 246 D HN 0.506 nan 8.370 nan 0.000 0.452 247 K N 0.203 120.555 120.400 -0.079 0.000 2.025 247 K HA 0.000 4.318 4.320 -0.003 0.000 0.207 247 K C 2.366 178.931 176.600 -0.059 0.000 1.049 247 K CA 0.353 56.604 56.287 -0.060 0.000 0.933 247 K CB -0.256 32.215 32.500 -0.049 0.000 0.714 247 K HN 0.120 nan 8.250 nan 0.000 0.438 248 L N 1.151 122.338 121.223 -0.061 0.000 2.263 248 L HA -0.218 4.120 4.340 -0.003 0.000 0.216 248 L C 2.217 179.054 176.870 -0.055 0.000 1.111 248 L CA 1.070 55.881 54.840 -0.047 0.000 0.773 248 L CB -0.311 41.723 42.059 -0.042 0.000 0.906 248 L HN 0.259 nan 8.230 nan 0.000 0.439 249 I N -0.863 119.644 120.570 -0.103 0.000 2.339 249 I HA -0.221 3.947 4.170 -0.003 0.000 0.245 249 I C 2.573 178.650 176.117 -0.066 0.000 1.096 249 I CA 0.750 61.975 61.300 -0.125 0.000 1.408 249 I CB -0.194 37.629 38.000 -0.296 0.000 1.092 249 I HN 0.181 nan 8.210 nan 0.000 0.423 250 R N 0.587 121.047 120.500 -0.067 0.000 2.316 250 R HA -0.092 4.247 4.340 -0.003 0.000 0.202 250 R C 0.458 176.744 176.300 -0.022 0.000 1.029 250 R CA 1.246 57.322 56.100 -0.039 0.000 1.018 250 R CB 0.142 30.416 30.300 -0.042 0.000 0.888 250 R HN 0.354 nan 8.270 nan 0.000 0.471 251 D N -2.354 118.033 120.400 -0.021 0.000 2.430 251 D HA 0.117 4.755 4.640 -0.003 0.000 0.289 251 D C 0.680 176.977 176.300 -0.005 0.000 1.215 251 D CA 0.691 54.684 54.000 -0.010 0.000 0.838 251 D CB 1.184 41.977 40.800 -0.011 0.000 1.290 251 D HN 0.284 nan 8.370 nan 0.000 0.521 252 G N 2.784 111.581 108.800 -0.005 0.000 2.189 252 G HA2 -0.321 3.637 3.960 -0.003 0.000 0.267 252 G HA3 -0.321 3.637 3.960 -0.003 0.000 0.267 252 G C 0.431 175.331 174.900 -0.000 0.000 0.975 252 G CA 0.931 46.032 45.100 0.002 0.000 0.644 252 G HN 0.536 nan 8.290 nan 0.000 0.537 253 R N -2.108 118.389 120.500 -0.006 0.000 2.664 253 R HA 0.585 4.923 4.340 -0.003 0.000 0.260 253 R C -1.200 175.093 176.300 -0.012 0.000 1.062 253 R CA -0.500 55.597 56.100 -0.005 0.000 0.902 253 R CB 1.292 31.593 30.300 0.002 0.000 1.258 253 R HN 0.829 nan 8.270 nan 0.000 0.465 254 V N 4.409 124.313 119.914 -0.016 0.000 2.405 254 V HA 0.358 4.476 4.120 -0.003 0.000 0.264 254 V C -0.100 175.981 176.094 -0.020 0.000 1.048 254 V CA -0.399 61.885 62.300 -0.026 0.000 0.966 254 V CB 0.317 32.118 31.823 -0.037 0.000 1.015 254 V HN 0.654 nan 8.190 nan 0.000 0.477 255 I N 8.695 129.256 120.570 -0.015 0.000 2.322 255 I HA 0.427 4.596 4.170 -0.003 0.000 0.292 255 I C 0.638 176.751 176.117 -0.007 0.000 1.060 255 I CA -0.069 61.232 61.300 0.001 0.000 1.309 255 I CB 0.432 38.437 38.000 0.008 0.000 1.415 255 I HN 0.527 nan 8.210 nan 0.000 0.492 256 R N 4.399 124.899 120.500 -0.002 0.000 2.474 256 R HA 0.487 4.825 4.340 -0.003 0.000 0.295 256 R C 0.181 176.529 176.300 0.081 0.000 0.980 256 R CA -0.792 55.293 56.100 -0.026 0.000 0.934 256 R CB 1.691 31.869 30.300 -0.203 0.000 1.101 256 R HN 0.742 nan 8.270 nan 0.000 0.469 257 G N 2.322 111.168 108.800 0.076 0.000 2.356 257 G HA2 0.106 4.064 3.960 -0.003 0.000 0.300 257 G HA3 0.106 4.064 3.960 -0.003 0.000 0.300 257 G C -1.045 174.000 174.900 0.242 0.000 1.107 257 G CA -0.078 45.098 45.100 0.127 0.000 0.960 257 G HN 0.452 nan 8.290 nan 0.000 0.418 258 Y N 3.426 123.817 120.300 0.151 0.000 2.310 258 Y HA 0.491 5.040 4.550 -0.002 0.000 0.326 258 Y C 0.736 176.685 175.900 0.080 0.000 1.151 258 Y CA -1.208 56.999 58.100 0.178 0.000 1.195 258 Y CB 1.591 40.130 38.460 0.131 0.000 1.210 258 Y HN 0.388 nan 8.280 nan 0.000 0.483 259 I N 2.331 122.526 120.570 -0.626 0.000 3.518 259 I HA 0.339 4.507 4.170 -0.003 0.000 0.260 259 I C 0.686 176.257 176.117 -0.910 0.000 1.148 259 I CA 0.691 61.654 61.300 -0.562 0.000 1.440 259 I CB 0.636 38.492 38.000 -0.239 0.000 1.485 259 I HN 0.838 nan 8.210 nan 0.000 0.456 260 G N 3.402 111.575 108.800 -1.045 0.000 2.742 260 G HA2 -0.108 3.850 3.960 -0.003 0.000 0.257 260 G HA3 -0.108 3.850 3.960 -0.003 0.000 0.257 260 G C -0.576 174.210 174.900 -0.189 0.000 1.143 260 G CA 0.202 44.960 45.100 -0.571 0.000 1.064 260 G HN 0.380 nan 8.290 nan 0.000 0.529 261 I N -1.040 119.474 120.570 -0.093 0.000 3.263 261 I HA 0.841 5.010 4.170 -0.003 0.000 0.314 261 I C 0.656 176.772 176.117 -0.002 0.000 1.269 261 I CA -0.677 60.597 61.300 -0.044 0.000 0.942 261 I CB 2.169 40.134 38.000 -0.058 0.000 1.305 261 I HN 0.549 nan 8.210 nan 0.000 0.474 262 G N -0.392 108.407 108.800 -0.003 0.000 2.870 262 G HA2 0.850 4.809 3.960 -0.003 0.000 0.299 262 G HA3 0.850 4.809 3.960 -0.003 0.000 0.299 262 G C -0.770 174.130 174.900 -0.001 0.000 1.324 262 G CA -0.251 44.853 45.100 0.006 0.000 0.808 262 G HN 1.193 nan 8.290 nan 0.000 0.535 263 G N -2.610 106.191 108.800 0.000 0.000 2.347 263 G HA2 0.728 4.687 3.960 -0.003 0.000 0.224 263 G HA3 0.728 4.687 3.960 -0.003 0.000 0.224 263 G C -0.558 174.341 174.900 -0.002 0.000 1.318 263 G CA 0.984 46.083 45.100 -0.003 0.000 1.016 263 G HN 2.098 nan 8.290 nan 0.000 0.469 282 I N 1.927 122.493 120.570 -0.007 0.000 2.307 282 I HA 0.542 4.710 4.170 -0.003 0.000 0.289 282 I C 0.071 176.184 176.117 -0.008 0.000 1.021 282 I CA -0.783 60.513 61.300 -0.007 0.000 1.224 282 I CB 0.835 38.830 38.000 -0.008 0.000 1.376 282 I HN 0.245 nan 8.210 nan 0.000 0.470 283 V N 7.752 127.661 119.914 -0.007 0.000 2.694 283 V HA -0.057 4.062 4.120 -0.003 0.000 0.306 283 V C 0.568 176.657 176.094 -0.008 0.000 1.054 283 V CA -0.029 62.267 62.300 -0.007 0.000 1.161 283 V CB 1.032 32.852 31.823 -0.005 0.000 0.916 283 V HN 0.562 nan 8.190 nan 0.000 0.490 284 V N 5.564 125.472 119.914 -0.009 0.000 2.412 284 V HA 0.138 4.257 4.120 -0.003 0.000 0.270 284 V C 1.016 177.105 176.094 -0.009 0.000 1.169 284 V CA -0.255 62.038 62.300 -0.011 0.000 1.319 284 V CB -0.330 31.484 31.823 -0.015 0.000 1.467 284 V HN 0.972 nan 8.190 nan 0.000 0.535 285 N N 2.026 120.722 118.700 -0.007 0.000 2.006 285 N HA -0.225 4.514 4.740 -0.003 0.000 0.187 285 N C 1.118 176.625 175.510 -0.005 0.000 1.090 285 N CA 1.555 54.602 53.050 -0.005 0.000 0.915 285 N CB 0.072 38.557 38.487 -0.003 0.000 1.053 285 N HN 0.569 nan 8.380 nan 0.000 0.505 286 E N -0.001 120.197 120.200 -0.003 0.000 1.932 286 E HA 0.219 4.567 4.350 -0.003 0.000 0.275 286 E C -0.826 175.772 176.600 -0.003 0.000 1.159 286 E CA -0.065 56.334 56.400 -0.002 0.000 0.905 286 E CB 0.031 29.731 29.700 0.001 0.000 1.059 286 E HN 0.451 nan 8.360 nan 0.000 0.400 287 V N 2.739 122.648 119.914 -0.008 0.000 2.894 287 V HA 0.318 4.436 4.120 -0.003 0.000 0.373 287 V C 1.091 177.176 176.094 -0.014 0.000 1.286 287 V CA 0.678 62.969 62.300 -0.016 0.000 1.331 287 V CB 0.268 32.078 31.823 -0.022 0.000 1.415 287 V HN 0.552 nan 8.190 nan 0.000 0.585 288 S N 1.178 116.875 115.700 -0.006 0.000 2.574 288 S HA 0.574 5.043 4.470 -0.003 0.000 0.242 288 S C -1.004 173.600 174.600 0.006 0.000 0.982 288 S CA -0.956 57.243 58.200 -0.003 0.000 0.977 288 S CB -0.478 62.721 63.200 -0.001 0.000 0.814 288 S HN 0.558 nan 8.310 nan 0.000 0.464 289 P HA 0.121 nan 4.420 nan 0.000 0.271 289 P C -0.089 177.224 177.300 0.020 0.000 1.238 289 P CA -0.080 63.044 63.100 0.040 0.000 0.794 289 P CB 0.544 32.294 31.700 0.084 0.000 0.959 290 D N -0.672 119.748 120.400 0.032 0.000 2.431 290 D HA 0.043 4.682 4.640 -0.003 0.000 0.213 290 D C 0.886 177.200 176.300 0.024 0.000 1.130 290 D CA -0.228 53.782 54.000 0.018 0.000 0.834 290 D CB -0.005 40.803 40.800 0.014 0.000 0.985 290 D HN 0.386 nan 8.370 nan 0.000 0.504 291 G N 2.192 111.022 108.800 0.051 0.000 2.311 291 G HA2 -0.065 3.893 3.960 -0.003 0.000 0.274 291 G HA3 -0.065 3.893 3.960 -0.003 0.000 0.274 291 G C -0.979 173.917 174.900 -0.008 0.000 1.511 291 G CA 0.358 45.501 45.100 0.070 0.000 1.041 291 G HN 0.095 nan 8.290 nan 0.000 0.527 292 P HA 0.017 nan 4.420 nan 0.000 0.230 292 P C 1.616 178.870 177.300 -0.077 0.000 1.158 292 P CA 1.534 64.600 63.100 -0.057 0.000 0.769 292 P CB -0.015 31.645 31.700 -0.067 0.000 0.807 293 A N 1.148 123.901 122.820 -0.111 0.000 1.858 293 A HA -0.046 4.272 4.320 -0.003 0.000 0.216 293 A C 2.511 180.064 177.584 -0.052 0.000 1.190 293 A CA 2.193 54.175 52.037 -0.092 0.000 0.617 293 A CB -1.554 17.381 19.000 -0.108 0.000 0.827 293 A HN 0.237 nan 8.150 nan 0.000 0.443 294 A N 0.298 123.094 122.820 -0.040 0.000 1.930 294 A HA -0.131 4.187 4.320 -0.003 0.000 0.217 294 A C 1.485 179.058 177.584 -0.019 0.000 1.175 294 A CA 1.382 53.405 52.037 -0.023 0.000 0.627 294 A CB -0.606 18.386 19.000 -0.014 0.000 0.815 294 A HN 0.550 nan 8.150 nan 0.000 0.443 295 N N 0.317 119.006 118.700 -0.019 0.000 2.551 295 N HA 0.200 4.939 4.740 -0.003 0.000 0.199 295 N C 0.275 175.776 175.510 -0.015 0.000 1.277 295 N CA 0.969 54.011 53.050 -0.013 0.000 0.870 295 N CB 0.123 38.606 38.487 -0.008 0.000 1.028 295 N HN 0.531 nan 8.380 nan 0.000 0.452 296 A N -1.444 121.365 122.820 -0.019 0.000 2.822 296 A HA 0.539 4.857 4.320 -0.003 0.000 0.208 296 A C 0.794 178.367 177.584 -0.018 0.000 1.653 296 A CA 0.053 52.080 52.037 -0.017 0.000 1.521 296 A CB -0.335 18.655 19.000 -0.018 0.000 1.031 296 A HN 0.359 nan 8.150 nan 0.000 0.756 297 G N -0.263 108.527 108.800 -0.017 0.000 2.039 297 G HA2 0.457 4.415 3.960 -0.003 0.000 0.207 297 G HA3 0.457 4.415 3.960 -0.003 0.000 0.207 297 G C 1.113 176.002 174.900 -0.019 0.000 1.133 297 G CA 0.664 45.754 45.100 -0.017 0.000 1.296 297 G HN 2.127 nan 8.290 nan 0.000 0.459 298 I N 1.028 121.585 120.570 -0.022 0.000 3.038 298 I HA 0.234 4.402 4.170 -0.003 0.000 0.253 298 I C 0.659 176.763 176.117 -0.021 0.000 0.952 298 I CA 2.043 63.328 61.300 -0.025 0.000 2.402 298 I CB -0.693 37.287 38.000 -0.034 0.000 0.846 298 I HN 0.880 nan 8.210 nan 0.000 0.376 299 Q N 3.024 122.812 119.800 -0.019 0.000 2.240 299 Q HA 0.631 4.969 4.340 -0.003 0.000 0.260 299 Q C 0.959 176.949 176.000 -0.016 0.000 1.018 299 Q CA -0.039 55.755 55.803 -0.015 0.000 0.898 299 Q CB 1.755 30.486 28.738 -0.012 0.000 1.301 299 Q HN 1.240 nan 8.270 nan 0.000 0.469 300 V N 1.797 121.703 119.914 -0.012 0.000 3.602 300 V HA 0.071 4.189 4.120 -0.003 0.000 0.289 300 V C -0.594 175.495 176.094 -0.010 0.000 1.265 300 V CA 0.852 63.145 62.300 -0.011 0.000 1.202 300 V CB -1.047 30.771 31.823 -0.008 0.000 1.012 300 V HN 0.773 nan 8.190 nan 0.000 0.431 301 N N 1.123 119.817 118.700 -0.010 0.000 4.036 301 N HA 0.168 4.907 4.740 -0.003 0.000 0.178 301 N C -1.483 174.022 175.510 -0.009 0.000 1.378 301 N CA 0.098 53.143 53.050 -0.009 0.000 0.851 301 N CB 0.629 39.112 38.487 -0.007 0.000 1.714 301 N HN 0.497 nan 8.380 nan 0.000 0.771 302 D N 0.961 121.354 120.400 -0.010 0.000 2.946 302 D HA 0.338 4.977 4.640 -0.003 0.000 0.337 302 D C -1.160 175.134 176.300 -0.010 0.000 1.332 302 D CA -0.550 53.444 54.000 -0.010 0.000 0.935 302 D CB 1.346 42.139 40.800 -0.011 0.000 1.440 302 D HN 0.227 nan 8.370 nan 0.000 0.540 303 L N 0.750 121.967 121.223 -0.010 0.000 2.404 303 L HA 0.410 4.748 4.340 -0.003 0.000 0.272 303 L C -1.093 175.770 176.870 -0.011 0.000 0.980 303 L CA -0.838 53.996 54.840 -0.010 0.000 0.836 303 L CB 1.119 43.173 42.059 -0.008 0.000 1.238 303 L HN 0.273 nan 8.230 nan 0.000 0.408 304 I N 5.251 125.813 120.570 -0.013 0.000 2.662 304 I HA 0.089 4.257 4.170 -0.003 0.000 0.291 304 I C 0.916 177.026 176.117 -0.011 0.000 1.046 304 I CA -0.096 61.196 61.300 -0.014 0.000 1.361 304 I CB 1.376 39.366 38.000 -0.017 0.000 1.429 304 I HN 0.680 nan 8.210 nan 0.000 0.558 305 I N 2.180 122.743 120.570 -0.011 0.000 3.194 305 I HA 0.010 4.178 4.170 -0.003 0.000 0.271 305 I C 0.853 176.964 176.117 -0.010 0.000 1.150 305 I CA 0.914 62.209 61.300 -0.009 0.000 1.440 305 I CB -0.087 37.908 38.000 -0.008 0.000 1.276 305 I HN 0.648 nan 8.210 nan 0.000 0.457 306 S N 1.758 117.451 115.700 -0.011 0.000 2.733 306 S HA 0.533 5.001 4.470 -0.003 0.000 0.294 306 S C -0.578 174.014 174.600 -0.013 0.000 1.149 306 S CA -0.694 57.500 58.200 -0.011 0.000 1.034 306 S CB 1.510 64.704 63.200 -0.009 0.000 1.015 306 S HN -0.051 nan 8.310 nan 0.000 0.486 307 V N 2.861 122.767 119.914 -0.013 0.000 2.529 307 V HA 0.240 4.359 4.120 -0.003 0.000 0.292 307 V C 1.348 177.435 176.094 -0.013 0.000 1.028 307 V CA -0.041 62.250 62.300 -0.015 0.000 1.074 307 V CB -0.603 31.211 31.823 -0.014 0.000 0.958 307 V HN 1.143 nan 8.190 nan 0.000 0.481 308 D N 3.348 123.740 120.400 -0.013 0.000 3.292 308 D HA -0.274 4.364 4.640 -0.003 0.000 0.175 308 D C 0.546 176.841 176.300 -0.010 0.000 1.192 308 D CA 1.954 55.947 54.000 -0.011 0.000 1.026 308 D CB -0.087 40.707 40.800 -0.010 0.000 0.538 308 D HN 0.775 nan 8.370 nan 0.000 0.566 309 N N 1.520 120.215 118.700 -0.008 0.000 2.451 309 N HA 0.175 4.913 4.740 -0.003 0.000 0.264 309 N C -0.566 174.940 175.510 -0.007 0.000 1.167 309 N CA 0.286 53.331 53.050 -0.007 0.000 0.898 309 N CB 0.736 39.219 38.487 -0.006 0.000 1.176 309 N HN 0.150 nan 8.380 nan 0.000 0.507 310 K N 0.083 120.479 120.400 -0.008 0.000 2.536 310 K HA 0.499 4.817 4.320 -0.003 0.000 0.269 310 K C -2.715 173.881 176.600 -0.008 0.000 0.965 310 K CA -1.936 54.347 56.287 -0.007 0.000 0.860 310 K CB 1.628 34.124 32.500 -0.007 0.000 1.423 310 K HN -0.222 nan 8.250 nan 0.000 0.438 311 P HA -0.062 nan 4.420 nan 0.000 0.265 311 P C -1.072 176.224 177.300 -0.008 0.000 1.167 311 P CA 0.376 63.472 63.100 -0.007 0.000 0.760 311 P CB 0.451 32.148 31.700 -0.006 0.000 0.783 312 A N 3.394 126.209 122.820 -0.008 0.000 3.154 312 A HA 0.254 4.572 4.320 -0.003 0.000 0.310 312 A C 1.350 178.929 177.584 -0.007 0.000 1.093 312 A CA -0.419 51.613 52.037 -0.009 0.000 1.006 312 A CB -0.964 18.030 19.000 -0.010 0.000 1.084 312 A HN 0.493 nan 8.150 nan 0.000 0.549 313 I N 0.416 120.982 120.570 -0.006 0.000 2.099 313 I HA -0.188 3.981 4.170 -0.003 0.000 0.239 313 I C 1.576 177.690 176.117 -0.005 0.000 1.066 313 I CA 1.601 62.898 61.300 -0.005 0.000 1.324 313 I CB -0.237 37.760 38.000 -0.005 0.000 1.037 313 I HN 0.596 nan 8.210 nan 0.000 0.401 314 S N -0.274 115.423 115.700 -0.006 0.000 2.664 314 S HA 0.684 5.153 4.470 -0.003 0.000 0.304 314 S C 0.492 175.088 174.600 -0.007 0.000 1.099 314 S CA -0.312 57.885 58.200 -0.006 0.000 1.003 314 S CB 2.075 65.272 63.200 -0.006 0.000 1.092 314 S HN 0.197 nan 8.310 nan 0.000 0.525 315 A N 0.697 123.513 122.820 -0.006 0.000 1.898 315 A HA 0.209 4.528 4.320 -0.003 0.000 0.214 315 A C 1.959 179.539 177.584 -0.005 0.000 1.183 315 A CA 0.553 52.586 52.037 -0.005 0.000 0.622 315 A CB -1.033 17.964 19.000 -0.004 0.000 0.824 315 A HN 0.793 nan 8.150 nan 0.000 0.444 316 L N -0.666 120.552 121.223 -0.008 0.000 1.961 316 L HA -0.201 4.137 4.340 -0.003 0.000 0.210 316 L C 2.626 179.489 176.870 -0.013 0.000 1.072 316 L CA 1.956 56.789 54.840 -0.012 0.000 0.749 316 L CB -0.668 41.382 42.059 -0.017 0.000 0.889 316 L HN 0.547 nan 8.230 nan 0.000 0.432 317 E N -0.668 119.524 120.200 -0.013 0.000 2.333 317 E HA -0.205 4.143 4.350 -0.003 0.000 0.200 317 E C 1.755 178.348 176.600 -0.012 0.000 1.010 317 E CA 1.378 57.770 56.400 -0.013 0.000 0.841 317 E CB 0.159 29.853 29.700 -0.011 0.000 0.757 317 E HN 0.440 nan 8.360 nan 0.000 0.508 318 T N 0.358 114.906 114.554 -0.010 0.000 2.814 318 T HA -0.049 4.299 4.350 -0.003 0.000 0.254 318 T C 1.726 176.423 174.700 -0.007 0.000 1.037 318 T CA 0.801 62.896 62.100 -0.009 0.000 1.143 318 T CB 0.027 68.889 68.868 -0.009 0.000 0.866 318 T HN 0.149 nan 8.240 nan 0.000 0.431 319 M N 1.658 121.257 119.600 -0.001 0.000 2.108 319 M HA -0.093 4.385 4.480 -0.003 0.000 0.261 319 M C 1.626 177.925 176.300 -0.002 0.000 1.066 319 M CA 1.461 56.767 55.300 0.010 0.000 1.107 319 M CB -1.373 31.241 32.600 0.023 0.000 1.356 319 M HN 0.151 nan 8.290 nan 0.000 0.406 320 D N 0.133 120.524 120.400 -0.014 0.000 2.354 320 D HA -0.139 4.499 4.640 -0.003 0.000 0.216 320 D C 2.113 178.399 176.300 -0.023 0.000 0.970 320 D CA 0.847 54.831 54.000 -0.026 0.000 0.905 320 D CB -0.028 40.756 40.800 -0.028 0.000 0.903 320 D HN 0.527 nan 8.370 nan 0.000 0.508 321 Q N -0.595 119.196 119.800 -0.015 0.000 2.178 321 Q HA 0.029 4.368 4.340 -0.003 0.000 0.195 321 Q C 2.262 178.257 176.000 -0.008 0.000 0.960 321 Q CA 0.300 56.095 55.803 -0.014 0.000 0.843 321 Q CB 0.222 28.952 28.738 -0.012 0.000 0.927 321 Q HN 0.124 nan 8.270 nan 0.000 0.487 322 V N 1.656 121.569 119.914 -0.002 0.000 2.370 322 V HA -0.324 3.794 4.120 -0.003 0.000 0.252 322 V C 2.268 178.374 176.094 0.021 0.000 1.068 322 V CA 2.034 64.339 62.300 0.008 0.000 1.061 322 V CB -0.999 30.832 31.823 0.013 0.000 0.656 322 V HN 0.396 nan 8.190 nan 0.000 0.455 323 A N -0.474 122.352 122.820 0.010 0.000 2.015 323 A HA -0.155 4.164 4.320 -0.003 0.000 0.219 323 A C 1.986 179.561 177.584 -0.015 0.000 1.163 323 A CA 1.453 53.486 52.037 -0.007 0.000 0.646 323 A CB -0.344 18.619 19.000 -0.062 0.000 0.806 323 A HN 0.514 nan 8.150 nan 0.000 0.448 324 E N -0.158 120.033 120.200 -0.015 0.000 2.335 324 E HA 0.157 4.505 4.350 -0.003 0.000 0.191 324 E C -0.631 175.964 176.600 -0.008 0.000 1.077 324 E CA 0.038 56.428 56.400 -0.017 0.000 1.010 324 E CB -0.115 29.572 29.700 -0.022 0.000 1.141 324 E HN 0.335 nan 8.360 nan 0.000 0.452 325 I N 1.873 122.444 120.570 0.002 0.000 2.420 325 I HA 0.283 4.452 4.170 -0.003 0.000 0.282 325 I C 0.214 176.340 176.117 0.016 0.000 1.019 325 I CA -0.623 60.681 61.300 0.007 0.000 1.130 325 I CB 1.147 39.152 38.000 0.008 0.000 1.262 325 I HN -0.008 nan 8.210 nan 0.000 0.454 326 R N 5.616 126.122 120.500 0.011 0.000 2.638 326 R HA 0.080 4.418 4.340 -0.003 0.000 0.268 326 R C -2.085 174.229 176.300 0.023 0.000 1.006 326 R CA -0.985 55.125 56.100 0.016 0.000 1.088 326 R CB 0.035 30.340 30.300 0.009 0.000 0.950 326 R HN 0.285 nan 8.270 nan 0.000 0.419 327 P HA -0.117 nan 4.420 nan 0.000 0.270 327 P C 0.702 178.017 177.300 0.026 0.000 1.221 327 P CA 0.952 64.075 63.100 0.038 0.000 0.788 327 P CB 0.469 32.194 31.700 0.043 0.000 0.904 328 G N -0.301 108.514 108.800 0.025 0.000 2.435 328 G HA2 -0.294 3.664 3.960 -0.003 0.000 0.245 328 G HA3 -0.294 3.664 3.960 -0.003 0.000 0.245 328 G C 0.687 175.594 174.900 0.012 0.000 1.073 328 G CA 0.588 45.698 45.100 0.017 0.000 0.638 328 G HN 0.637 nan 8.290 nan 0.000 0.521 329 S N -0.583 115.124 115.700 0.012 0.000 2.580 329 S HA 0.458 4.926 4.470 -0.003 0.000 0.261 329 S C 0.284 174.887 174.600 0.004 0.000 1.366 329 S CA 0.577 58.781 58.200 0.007 0.000 0.996 329 S CB 1.599 64.803 63.200 0.006 0.000 0.902 329 S HN 1.137 nan 8.310 nan 0.000 0.566 330 V N 1.745 121.659 119.914 0.000 0.000 2.888 330 V HA 0.645 4.763 4.120 -0.003 0.000 0.309 330 V C -0.439 175.652 176.094 -0.005 0.000 1.114 330 V CA -0.771 61.527 62.300 -0.003 0.000 0.940 330 V CB 1.461 33.282 31.823 -0.003 0.000 1.021 330 V HN 0.832 nan 8.190 nan 0.000 0.426 331 I N 1.304 121.869 120.570 -0.009 0.000 2.894 331 I HA 0.757 4.925 4.170 -0.003 0.000 0.302 331 I C -2.926 173.183 176.117 -0.012 0.000 1.188 331 I CA -2.493 58.801 61.300 -0.010 0.000 1.014 331 I CB 3.082 41.075 38.000 -0.011 0.000 1.242 331 I HN 0.427 nan 8.210 nan 0.000 0.430 332 P HA 0.196 nan 4.420 nan 0.000 0.281 332 P C -0.682 176.610 177.300 -0.014 0.000 1.286 332 P CA -0.110 62.983 63.100 -0.012 0.000 0.772 332 P CB 1.446 33.141 31.700 -0.009 0.000 0.862 333 V N 5.022 124.926 119.914 -0.016 0.000 2.427 333 V HA 0.175 4.293 4.120 -0.003 0.000 0.286 333 V C 0.800 176.884 176.094 -0.016 0.000 1.034 333 V CA -0.524 61.766 62.300 -0.018 0.000 0.893 333 V CB 2.027 33.836 31.823 -0.024 0.000 0.982 333 V HN 0.256 nan 8.190 nan 0.000 0.452 334 V N 5.302 125.208 119.914 -0.014 0.000 2.260 334 V HA 0.735 4.853 4.120 -0.003 0.000 0.262 334 V C 0.372 176.459 176.094 -0.012 0.000 1.163 334 V CA 0.570 62.863 62.300 -0.012 0.000 1.194 334 V CB -0.391 31.425 31.823 -0.010 0.000 1.339 334 V HN 1.244 nan 8.190 nan 0.000 0.492 342 L N 0.871 122.090 121.223 -0.007 0.000 2.417 342 L HA 0.987 5.325 4.340 -0.003 0.000 0.258 342 L C 0.967 177.832 176.870 -0.009 0.000 1.088 342 L CA -0.030 54.805 54.840 -0.008 0.000 0.975 342 L CB -0.168 41.886 42.059 -0.008 0.000 1.341 342 L HN 1.310 nan 8.230 nan 0.000 0.431 343 T N 1.067 115.616 114.554 -0.008 0.000 2.695 343 T HA 0.591 4.939 4.350 -0.003 0.000 0.264 343 T C 0.184 174.878 174.700 -0.010 0.000 0.993 343 T CA 0.978 63.072 62.100 -0.009 0.000 1.248 343 T CB -0.870 67.993 68.868 -0.008 0.000 0.946 343 T HN 2.202 nan 8.240 nan 0.000 0.526 344 L N 4.731 125.947 121.223 -0.012 0.000 2.276 344 L HA 0.733 5.071 4.340 -0.003 0.000 0.286 344 L C 0.444 177.305 176.870 -0.014 0.000 1.024 344 L CA -1.364 53.468 54.840 -0.013 0.000 0.826 344 L CB 0.433 42.483 42.059 -0.014 0.000 1.211 344 L HN 1.024 nan 8.230 nan 0.000 0.422 345 Q N 2.041 121.833 119.800 -0.013 0.000 2.394 345 Q HA 0.712 5.050 4.340 -0.003 0.000 0.248 345 Q C -0.941 175.050 176.000 -0.016 0.000 0.992 345 Q CA -0.323 55.472 55.803 -0.013 0.000 0.888 345 Q CB 1.492 30.224 28.738 -0.010 0.000 1.257 345 Q HN 0.599 nan 8.270 nan 0.000 0.462 346 V N 1.320 121.224 119.914 -0.018 0.000 2.888 346 V HA 0.382 4.500 4.120 -0.003 0.000 0.309 346 V C -0.430 175.654 176.094 -0.017 0.000 1.114 346 V CA -0.750 61.537 62.300 -0.021 0.000 0.940 346 V CB 2.201 34.004 31.823 -0.033 0.000 1.021 346 V HN 1.008 nan 8.190 nan 0.000 0.426 347 T N 1.430 115.976 114.554 -0.013 0.000 2.771 347 T HA 0.716 5.064 4.350 -0.003 0.000 0.291 347 T C -0.432 174.267 174.700 -0.003 0.000 0.954 347 T CA -0.393 61.704 62.100 -0.005 0.000 1.045 347 T CB 0.623 69.492 68.868 0.001 0.000 0.917 347 T HN 0.258 nan 8.240 nan 0.000 0.484 348 I N 3.331 123.904 120.570 0.004 0.000 2.496 348 I HA 0.206 4.374 4.170 -0.003 0.000 0.285 348 I C 0.962 177.105 176.117 0.044 0.000 1.080 348 I CA 0.295 61.605 61.300 0.017 0.000 1.404 348 I CB 0.542 38.556 38.000 0.022 0.000 1.403 348 I HN 0.710 nan 8.210 nan 0.000 0.539 349 Q N 3.653 123.499 119.800 0.077 0.000 2.448 349 Q HA 0.511 4.850 4.340 -0.003 0.000 0.192 349 Q C -0.464 175.630 176.000 0.156 0.000 1.001 349 Q CA -0.909 54.961 55.803 0.112 0.000 1.018 349 Q CB 0.985 29.810 28.738 0.146 0.000 1.290 349 Q HN 0.560 nan 8.270 nan 0.000 0.517 350 E N 0.160 120.451 120.200 0.152 0.000 2.176 350 E HA 0.168 4.517 4.350 -0.003 0.000 0.267 350 E C -1.395 175.296 176.600 0.152 0.000 0.893 350 E CA -0.541 55.951 56.400 0.154 0.000 0.761 350 E CB 0.839 30.593 29.700 0.090 0.000 1.133 350 E HN 0.411 nan 8.360 nan 0.000 0.409 351 Y N 4.507 124.820 120.300 0.022 0.000 3.137 351 Y HA -0.132 4.416 4.550 -0.003 0.000 0.348 351 Y C -1.672 174.110 175.900 -0.197 0.000 1.275 351 Y CA -0.049 57.963 58.100 -0.147 0.000 1.516 351 Y CB 0.231 38.644 38.460 -0.077 0.000 1.268 351 Y HN 0.466 nan 8.280 nan 0.000 0.644 352 P HA 0.283 nan 4.420 nan 0.000 0.274 352 P C -1.074 176.154 177.300 -0.120 0.000 1.246 352 P CA -0.290 62.617 63.100 -0.321 0.000 0.795 352 P CB 0.855 32.268 31.700 -0.479 0.000 1.006 353 A N 0.000 122.773 122.820 -0.079 0.000 2.254 353 A HA 0.000 4.318 4.320 -0.003 0.000 0.244 353 A CA 0.000 52.021 52.037 -0.027 0.000 0.836 353 A CB 0.000 18.984 19.000 -0.026 0.000 0.831 353 A HN 0.000 nan 8.150 nan 0.000 0.486