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 1sbb_1_A DATA FIRST_RESID 3 DATA SEQUENCE AVTQSPRNKV AVTGGKVTLS cQQTNNHNNM YWYRQDTGHG LRLIHYSYGA DATA SEQUENCE GSTEKGDIPD GXYKASRPSQ EQFSLILELA TPSQTSVYFc ASGGGRGSYA DATA SEQUENCE XXEQFFGPGT RLTVEDLRQV TPPKVSLFEP SKAEIANKQK ATLVcLARGF DATA SEQUENCE FPDHVELSWW VNGKEVHSGV STDPQAYKES XXXNYXSYCL SSRLRVSATF DATA SEQUENCE WHNPRNHFRc QVQFHGLSEE DKWPEGSPKP VTQNISAEAW GRADXXXL 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 A HA 0.000 nan 4.320 nan 0.000 0.244 3 A C 0.000 177.580 177.584 -0.007 0.000 1.274 3 A CA 0.000 52.022 52.037 -0.026 0.000 0.836 3 A CB 0.000 18.997 19.000 -0.006 0.000 0.831 4 V N 1.689 121.632 119.914 0.048 0.000 2.407 4 V HA 0.664 4.784 4.120 -0.000 0.000 0.291 4 V C -0.073 176.059 176.094 0.064 0.000 1.018 4 V CA -0.299 62.036 62.300 0.058 0.000 0.842 4 V CB 1.539 33.420 31.823 0.096 0.000 0.996 4 V HN 0.957 nan 8.190 nan 0.000 0.426 5 T N 5.059 119.645 114.554 0.053 0.000 2.859 5 T HA 0.592 4.942 4.350 -0.000 0.000 0.281 5 T C -0.568 174.179 174.700 0.079 0.000 1.005 5 T CA -0.613 61.523 62.100 0.060 0.000 1.025 5 T CB 1.603 70.500 68.868 0.048 0.000 0.977 5 T HN 0.669 nan 8.240 nan 0.000 0.458 6 Q N 1.136 120.989 119.800 0.088 0.000 2.353 6 Q HA 0.658 4.998 4.340 -0.000 0.000 0.268 6 Q C -1.173 174.888 176.000 0.102 0.000 1.045 6 Q CA -0.825 55.061 55.803 0.138 0.000 0.811 6 Q CB 2.263 31.096 28.738 0.159 0.000 1.305 6 Q HN 0.580 nan 8.270 nan 0.000 0.447 7 S N 3.064 118.833 115.700 0.115 0.000 2.672 7 S HA 0.535 5.005 4.470 -0.000 0.000 0.291 7 S C -2.480 172.135 174.600 0.026 0.000 1.145 7 S CA -0.964 57.267 58.200 0.053 0.000 1.013 7 S CB 1.715 64.941 63.200 0.043 0.000 1.017 7 S HN 0.446 nan 8.310 nan 0.000 0.487 8 P HA 0.445 nan 4.420 nan 0.000 0.297 8 P C 0.058 177.339 177.300 -0.031 0.000 1.307 8 P CA -0.578 62.509 63.100 -0.022 0.000 0.773 8 P CB 1.013 32.689 31.700 -0.039 0.000 1.265 9 R N -0.869 119.581 120.500 -0.083 0.000 2.223 9 R HA 0.278 4.618 4.340 -0.000 0.000 0.198 9 R C 0.377 176.551 176.300 -0.210 0.000 0.984 9 R CA 0.581 56.604 56.100 -0.129 0.000 1.018 9 R CB -0.292 29.913 30.300 -0.158 0.000 0.945 9 R HN 0.554 nan 8.270 nan 0.000 0.479 10 N N 0.470 119.041 118.700 -0.216 0.000 2.331 10 N HA 0.224 4.964 4.740 -0.000 0.000 0.280 10 N C -1.480 174.004 175.510 -0.042 0.000 1.155 10 N CA -0.584 52.340 53.050 -0.210 0.000 0.822 10 N CB 2.883 41.179 38.487 -0.318 0.000 1.619 10 N HN -0.243 nan 8.380 nan 0.000 0.476 11 K N 0.743 121.191 120.400 0.079 0.000 2.570 11 K HA 0.362 4.682 4.320 -0.000 0.000 0.256 11 K C -2.220 174.463 176.600 0.139 0.000 0.939 11 K CA -0.585 55.751 56.287 0.080 0.000 0.833 11 K CB 1.544 34.054 32.500 0.017 0.000 1.318 11 K HN 0.242 nan 8.250 nan 0.000 0.433 12 V N 3.587 123.532 119.914 0.052 0.000 2.444 12 V HA 0.963 5.083 4.120 -0.000 0.000 0.294 12 V C -1.130 174.985 176.094 0.034 0.000 1.022 12 V CA 0.128 62.436 62.300 0.013 0.000 0.850 12 V CB 1.019 32.787 31.823 -0.091 0.000 0.992 12 V HN 0.955 nan 8.190 nan 0.000 0.426 13 A N 5.577 128.425 122.820 0.046 0.000 2.435 13 A HA 0.939 5.259 4.320 -0.000 0.000 0.296 13 A C -0.887 176.730 177.584 0.055 0.000 1.147 13 A CA -0.659 51.405 52.037 0.044 0.000 0.775 13 A CB 2.075 21.089 19.000 0.024 0.000 1.340 13 A HN 0.989 nan 8.150 nan 0.000 0.427 14 V N 0.358 120.300 119.914 0.047 0.000 2.837 14 V HA 0.414 4.534 4.120 -0.000 0.000 0.310 14 V C 0.649 176.762 176.094 0.031 0.000 1.059 14 V CA -0.481 61.847 62.300 0.047 0.000 1.004 14 V CB 1.638 33.484 31.823 0.038 0.000 1.045 14 V HN 0.956 nan 8.190 nan 0.000 0.465 15 T N 2.482 117.057 114.554 0.034 0.000 2.940 15 T HA 0.387 4.737 4.350 -0.000 0.000 0.309 15 T C 1.246 175.949 174.700 0.005 0.000 1.056 15 T CA 0.992 63.104 62.100 0.021 0.000 1.137 15 T CB 0.568 69.451 68.868 0.026 0.000 0.976 15 T HN 1.481 nan 8.240 nan 0.000 0.547 16 G N 1.895 110.691 108.800 -0.008 0.000 2.253 16 G HA2 -0.179 3.781 3.960 -0.000 0.000 0.251 16 G HA3 -0.179 3.781 3.960 -0.000 0.000 0.251 16 G C 0.511 175.399 174.900 -0.020 0.000 0.998 16 G CA -0.021 45.069 45.100 -0.015 0.000 0.621 16 G HN 1.146 nan 8.290 nan 0.000 0.524 17 G N -0.172 108.619 108.800 -0.015 0.000 2.537 17 G HA2 0.506 4.466 3.960 -0.000 0.000 0.273 17 G HA3 0.506 4.466 3.960 -0.000 0.000 0.273 17 G C -0.095 174.785 174.900 -0.033 0.000 1.189 17 G CA 0.267 45.356 45.100 -0.018 0.000 0.881 17 G HN 0.568 nan 8.290 nan 0.000 0.535 18 K N 0.105 120.483 120.400 -0.037 0.000 2.211 18 K HA 0.520 4.840 4.320 -0.000 0.000 0.275 18 K C -1.058 175.505 176.600 -0.061 0.000 1.024 18 K CA -0.514 55.741 56.287 -0.054 0.000 0.887 18 K CB 1.325 33.795 32.500 -0.050 0.000 1.084 18 K HN 0.181 nan 8.250 nan 0.000 0.463 19 V N 3.045 122.907 119.914 -0.087 0.000 2.604 19 V HA 0.397 4.517 4.120 -0.000 0.000 0.305 19 V C -0.648 175.352 176.094 -0.156 0.000 1.043 19 V CA -0.754 61.481 62.300 -0.108 0.000 0.888 19 V CB 2.094 33.848 31.823 -0.115 0.000 0.995 19 V HN 0.876 nan 8.190 nan 0.000 0.429 20 T N 5.749 120.206 114.554 -0.162 0.000 2.881 20 T HA 0.591 4.941 4.350 -0.000 0.000 0.291 20 T C -0.672 173.892 174.700 -0.227 0.000 0.990 20 T CA -0.321 61.657 62.100 -0.202 0.000 0.976 20 T CB 0.867 69.651 68.868 -0.139 0.000 0.970 20 T HN 0.376 nan 8.240 nan 0.000 0.438 21 L N 2.808 123.810 121.223 -0.367 0.000 2.296 21 L HA 0.579 4.919 4.340 -0.000 0.000 0.286 21 L C 0.334 177.093 176.870 -0.184 0.000 1.023 21 L CA -0.708 53.927 54.840 -0.341 0.000 0.812 21 L CB 1.514 43.150 42.059 -0.704 0.000 1.223 21 L HN 0.550 nan 8.230 nan 0.000 0.421 22 S N 1.387 117.108 115.700 0.036 0.000 2.608 22 S HA 0.538 5.007 4.470 -0.000 0.000 0.291 22 S C -0.733 174.056 174.600 0.316 0.000 1.146 22 S CA -0.575 57.713 58.200 0.146 0.000 1.043 22 S CB 2.023 65.268 63.200 0.075 0.000 1.037 22 S HN 0.713 nan 8.310 nan 0.000 0.520 23 c N 2.828 121.613 118.600 0.309 0.000 2.551 23 c HA 0.567 5.137 4.570 -0.000 0.000 0.332 23 c C -1.383 172.798 174.090 0.152 0.000 1.139 23 c CA -0.399 56.072 56.329 0.236 0.000 1.328 23 c CB 1.051 43.673 42.510 0.187 0.000 1.903 23 c HN 0.802 nan 8.230 nan 0.000 0.459 24 Q N 3.571 123.429 119.800 0.096 0.000 2.340 24 Q HA 0.475 4.815 4.340 -0.000 0.000 0.268 24 Q C -0.956 175.064 176.000 0.034 0.000 1.031 24 Q CA -0.072 55.769 55.803 0.063 0.000 0.804 24 Q CB 2.263 31.031 28.738 0.049 0.000 1.286 24 Q HN 0.929 nan 8.270 nan 0.000 0.448 25 Q N -0.512 119.295 119.800 0.012 0.000 2.387 25 Q HA 0.686 5.026 4.340 -0.000 0.000 0.273 25 Q C -0.052 175.908 176.000 -0.067 0.000 1.089 25 Q CA -0.723 55.062 55.803 -0.030 0.000 0.824 25 Q CB 1.574 30.289 28.738 -0.037 0.000 1.367 25 Q HN 0.530 nan 8.270 nan 0.000 0.443 26 T N -2.266 112.218 114.554 -0.116 0.000 3.200 26 T HA 0.246 4.596 4.350 -0.000 0.000 0.284 26 T C -0.042 174.530 174.700 -0.214 0.000 1.009 26 T CA -0.390 61.635 62.100 -0.125 0.000 0.907 26 T CB -0.184 68.630 68.868 -0.090 0.000 1.120 26 T HN 0.569 nan 8.240 nan 0.000 0.534 27 N N 2.345 120.834 118.700 -0.351 0.000 2.373 27 N HA 0.086 4.826 4.740 -0.000 0.000 0.181 27 N C 0.681 175.882 175.510 -0.514 0.000 1.082 27 N CA 0.279 52.950 53.050 -0.631 0.000 0.885 27 N CB -0.336 37.338 38.487 -1.356 0.000 0.977 27 N HN 0.620 nan 8.380 nan 0.000 0.462 28 N N 0.412 118.947 118.700 -0.275 0.000 2.747 28 N HA -0.216 4.523 4.740 -0.000 0.000 0.249 28 N C -1.219 174.277 175.510 -0.022 0.000 1.107 28 N CA 0.448 53.426 53.050 -0.119 0.000 0.707 28 N CB -1.839 36.596 38.487 -0.086 0.000 1.054 28 N HN 0.516 nan 8.380 nan 0.000 0.555 29 H N -0.588 118.454 119.070 -0.047 0.000 2.525 29 H HA 0.215 4.771 4.556 -0.000 0.000 0.339 29 H C 1.045 176.355 175.328 -0.029 0.000 1.109 29 H CA -1.003 55.029 56.048 -0.027 0.000 1.352 29 H CB 0.857 30.614 29.762 -0.009 0.000 1.461 29 H HN 0.220 nan 8.280 nan 0.000 0.533 30 N N 1.749 120.513 118.700 0.107 0.000 2.135 30 N HA -0.105 4.635 4.740 -0.000 0.000 0.186 30 N C -0.139 175.354 175.510 -0.027 0.000 1.027 30 N CA 0.945 54.014 53.050 0.031 0.000 0.849 30 N CB -0.116 38.391 38.487 0.032 0.000 1.002 30 N HN 0.554 nan 8.380 nan 0.000 0.425 31 N N 0.246 118.932 118.700 -0.023 0.000 2.524 31 N HA 0.351 5.091 4.740 -0.000 0.000 0.283 31 N C -0.406 174.948 175.510 -0.261 0.000 1.142 31 N CA 0.225 53.166 53.050 -0.182 0.000 0.984 31 N CB 1.344 39.787 38.487 -0.074 0.000 1.155 31 N HN 0.045 nan 8.380 nan 0.000 0.467 32 M N 1.500 120.707 119.600 -0.654 0.000 2.484 32 M HA 0.413 4.892 4.480 -0.000 0.000 0.289 32 M C -1.625 174.162 176.300 -0.855 0.000 1.206 32 M CA -0.653 54.335 55.300 -0.521 0.000 0.892 32 M CB 1.872 34.232 32.600 -0.401 0.000 1.712 32 M HN 0.451 nan 8.290 nan 0.000 0.462 33 Y N -0.573 119.645 120.300 -0.136 0.000 2.576 33 Y HA 0.560 5.109 4.550 -0.000 0.000 0.346 33 Y C -1.390 174.447 175.900 -0.106 0.000 1.018 33 Y CA -0.932 57.113 58.100 -0.092 0.000 1.050 33 Y CB 1.603 39.815 38.460 -0.413 0.000 1.280 33 Y HN 0.654 nan 8.280 nan 0.000 0.474 34 W N 2.053 123.469 121.300 0.194 0.000 2.587 34 W HA 0.596 5.256 4.660 -0.000 0.000 0.324 34 W C -1.555 174.988 176.519 0.040 0.000 1.008 34 W CA -0.478 56.951 57.345 0.140 0.000 1.265 34 W CB 1.113 30.580 29.460 0.011 0.000 1.328 34 W HN 0.421 nan 8.180 nan 0.000 0.432 35 Y N 1.716 122.337 120.300 0.536 0.000 2.650 35 Y HA 0.695 5.245 4.550 -0.000 0.000 0.331 35 Y C 0.109 176.260 175.900 0.419 0.000 1.082 35 Y CA -1.536 56.810 58.100 0.411 0.000 1.171 35 Y CB 1.835 40.528 38.460 0.387 0.000 1.326 35 Y HN 0.284 nan 8.280 nan 0.000 0.513 36 R N 0.763 121.513 120.500 0.416 0.000 2.533 36 R HA 0.558 4.897 4.340 -0.000 0.000 0.288 36 R C -1.850 174.522 176.300 0.120 0.000 1.039 36 R CA -1.056 55.100 56.100 0.092 0.000 0.909 36 R CB 1.750 31.961 30.300 -0.148 0.000 1.195 36 R HN 0.520 nan 8.270 nan 0.000 0.438 37 Q N 2.149 122.024 119.800 0.126 0.000 2.271 37 Q HA 0.348 4.688 4.340 -0.000 0.000 0.258 37 Q C -1.394 174.639 176.000 0.054 0.000 0.936 37 Q CA -0.081 55.799 55.803 0.129 0.000 0.909 37 Q CB 1.650 30.563 28.738 0.291 0.000 1.253 37 Q HN 0.652 nan 8.270 nan 0.000 0.440 38 D N 2.956 123.398 120.400 0.071 0.000 2.896 38 D HA 0.196 4.836 4.640 -0.000 0.000 0.241 38 D C -0.859 175.508 176.300 0.110 0.000 1.188 38 D CA -0.458 53.596 54.000 0.089 0.000 0.879 38 D CB 1.846 42.714 40.800 0.114 0.000 1.553 38 D HN 0.493 nan 8.370 nan 0.000 0.515 39 T N 1.237 115.843 114.554 0.086 0.000 2.751 39 T HA 0.429 4.778 4.350 -0.000 0.000 0.279 39 T C 1.200 175.934 174.700 0.056 0.000 0.941 39 T CA 0.810 62.945 62.100 0.059 0.000 1.192 39 T CB 0.460 69.361 68.868 0.056 0.000 0.883 39 T HN 0.713 nan 8.240 nan 0.000 0.534 40 G N 3.044 111.851 108.800 0.011 0.000 3.426 40 G HA2 -0.124 3.836 3.960 -0.000 0.000 0.196 40 G HA3 -0.124 3.836 3.960 -0.000 0.000 0.196 40 G C 0.058 174.867 174.900 -0.151 0.000 1.763 40 G CA -0.674 44.374 45.100 -0.087 0.000 1.210 40 G HN 0.675 nan 8.290 nan 0.000 0.472 41 H N 1.029 120.103 119.070 0.006 0.000 2.490 41 H HA 0.566 5.122 4.556 -0.000 0.000 0.354 41 H C 1.254 176.576 175.328 -0.010 0.000 1.365 41 H CA 0.259 56.311 56.048 0.006 0.000 1.413 41 H CB 1.010 30.786 29.762 0.023 0.000 1.631 41 H HN 0.538 nan 8.280 nan 0.000 0.607 42 G N -0.166 108.708 108.800 0.124 0.000 3.182 42 G HA2 0.293 4.252 3.960 -0.000 0.000 0.167 42 G HA3 0.293 4.252 3.960 -0.000 0.000 0.167 42 G C -0.808 174.102 174.900 0.018 0.000 1.537 42 G CA -0.382 44.730 45.100 0.020 0.000 1.046 42 G HN 0.342 nan 8.290 nan 0.000 0.580 43 L N 0.907 122.106 121.223 -0.040 0.000 2.276 43 L HA 0.599 4.939 4.340 -0.000 0.000 0.286 43 L C -0.052 176.887 176.870 0.116 0.000 1.024 43 L CA -0.523 54.294 54.840 -0.039 0.000 0.826 43 L CB 0.915 42.800 42.059 -0.291 0.000 1.211 43 L HN 0.320 nan 8.230 nan 0.000 0.422 44 R N 4.273 124.906 120.500 0.221 0.000 2.445 44 R HA 0.503 4.843 4.340 -0.000 0.000 0.308 44 R C -1.173 175.359 176.300 0.386 0.000 0.961 44 R CA -1.146 55.111 56.100 0.262 0.000 0.862 44 R CB 1.800 32.184 30.300 0.141 0.000 1.144 44 R HN 0.474 nan 8.270 nan 0.000 0.447 45 L N 4.220 125.640 121.223 0.329 0.000 2.360 45 L HA 0.173 4.512 4.340 -0.000 0.000 0.276 45 L C 0.555 177.453 176.870 0.047 0.000 1.121 45 L CA 0.639 55.549 54.840 0.117 0.000 0.845 45 L CB 0.533 42.602 42.059 0.016 0.000 1.143 45 L HN 0.732 nan 8.230 nan 0.000 0.452 46 I N 3.464 124.036 120.570 0.002 0.000 2.499 46 I HA 0.089 4.258 4.170 -0.000 0.000 0.243 46 I C 0.127 176.074 176.117 -0.284 0.000 1.085 46 I CA 0.134 61.333 61.300 -0.168 0.000 1.422 46 I CB 0.015 37.849 38.000 -0.276 0.000 1.165 46 I HN 0.510 nan 8.210 nan 0.000 0.440 47 H N -0.995 118.189 119.070 0.190 0.000 3.046 47 H HA 0.413 4.969 4.556 -0.000 0.000 0.361 47 H C -1.562 174.037 175.328 0.451 0.000 1.235 47 H CA -0.660 55.555 56.048 0.278 0.000 1.146 47 H CB 2.068 31.958 29.762 0.212 0.000 1.859 47 H HN 0.003 nan 8.280 nan 0.000 0.548 48 Y N -1.024 119.390 120.300 0.190 0.000 2.669 48 Y HA 0.727 5.277 4.550 -0.000 0.000 0.335 48 Y C -0.750 174.803 175.900 -0.579 0.000 1.116 48 Y CA -1.196 56.745 58.100 -0.266 0.000 1.081 48 Y CB 1.425 39.611 38.460 -0.457 0.000 1.297 48 Y HN 0.463 nan 8.280 nan 0.000 0.484 49 S N -0.512 114.621 115.700 -0.945 0.000 2.546 49 S HA 0.488 4.957 4.470 -0.000 0.000 0.274 49 S C -1.227 173.006 174.600 -0.612 0.000 1.121 49 S CA -0.505 57.173 58.200 -0.870 0.000 0.887 49 S CB 0.691 63.282 63.200 -1.015 0.000 1.094 49 S HN 0.636 nan 8.310 nan 0.000 0.474 50 Y N 2.401 122.507 120.300 -0.323 0.000 2.497 50 Y HA 0.500 5.050 4.550 -0.000 0.000 0.265 50 Y C 1.478 177.285 175.900 -0.155 0.000 1.111 50 Y CA 0.472 58.458 58.100 -0.190 0.000 1.288 50 Y CB 0.537 38.915 38.460 -0.136 0.000 1.082 50 Y HN 0.913 nan 8.280 nan 0.000 0.536 51 G N -1.178 107.603 108.800 -0.031 0.000 2.322 51 G HA2 0.459 4.419 3.960 -0.000 0.000 0.295 51 G HA3 0.459 4.419 3.960 -0.000 0.000 0.295 51 G C -1.416 173.450 174.900 -0.057 0.000 1.369 51 G CA -0.621 44.457 45.100 -0.038 0.000 0.821 51 G HN 0.163 nan 8.290 nan 0.000 0.536 52 A N -0.854 121.946 122.820 -0.034 0.000 2.565 52 A HA 0.551 4.871 4.320 -0.000 0.000 0.237 52 A C 1.787 179.360 177.584 -0.018 0.000 1.053 52 A CA 1.980 54.004 52.037 -0.021 0.000 0.755 52 A CB -0.326 18.669 19.000 -0.008 0.000 0.980 52 A HN 2.885 nan 8.150 nan 0.000 0.506 53 G N 0.800 109.593 108.800 -0.011 0.000 2.179 53 G HA2 -0.177 3.783 3.960 -0.000 0.000 0.260 53 G HA3 -0.177 3.783 3.960 -0.000 0.000 0.260 53 G C 0.516 175.403 174.900 -0.023 0.000 0.977 53 G CA 0.751 45.845 45.100 -0.010 0.000 0.641 53 G HN 1.824 nan 8.290 nan 0.000 0.533 54 S N 0.412 116.084 115.700 -0.046 0.000 2.475 54 S HA 0.761 5.231 4.470 -0.000 0.000 0.298 54 S C 0.030 174.543 174.600 -0.145 0.000 1.119 54 S CA 0.787 58.940 58.200 -0.078 0.000 1.085 54 S CB 1.490 64.661 63.200 -0.049 0.000 1.028 54 S HN 1.459 nan 8.310 nan 0.000 0.489 55 T N 1.944 116.403 114.554 -0.159 0.000 3.348 55 T HA 0.466 4.816 4.350 -0.000 0.000 0.328 55 T C -1.235 173.321 174.700 -0.241 0.000 0.913 55 T CA -0.937 61.068 62.100 -0.159 0.000 1.043 55 T CB 0.951 69.781 68.868 -0.062 0.000 1.021 55 T HN 0.479 nan 8.240 nan 0.000 0.461 56 E N 2.587 122.502 120.200 -0.475 0.000 2.227 56 E HA 0.437 4.786 4.350 -0.000 0.000 0.268 56 E C -0.106 176.413 176.600 -0.135 0.000 0.990 56 E CA -0.965 55.130 56.400 -0.508 0.000 0.856 56 E CB 1.938 30.896 29.700 -1.237 0.000 1.159 56 E HN 0.854 nan 8.360 nan 0.000 0.401 57 K N -0.325 120.145 120.400 0.116 0.000 2.130 57 K HA 0.669 4.989 4.320 -0.000 0.000 0.268 57 K C 0.379 177.174 176.600 0.325 0.000 0.983 57 K CA -0.847 55.643 56.287 0.338 0.000 0.893 57 K CB 1.528 34.196 32.500 0.281 0.000 1.066 57 K HN 0.457 nan 8.250 nan 0.000 0.450 58 G N 1.265 110.196 108.800 0.219 0.000 2.773 58 G HA2 0.028 3.988 3.960 -0.000 0.000 0.186 58 G HA3 0.028 3.988 3.960 -0.000 0.000 0.186 58 G C 0.107 175.059 174.900 0.087 0.000 1.411 58 G CA -0.297 44.902 45.100 0.166 0.000 1.054 58 G HN 0.702 nan 8.290 nan 0.000 0.579 59 D N 0.144 120.584 120.400 0.068 0.000 2.084 59 D HA -0.106 4.533 4.640 -0.000 0.000 0.194 59 D C 1.516 177.848 176.300 0.053 0.000 0.990 59 D CA 1.362 55.403 54.000 0.068 0.000 0.826 59 D CB -0.068 40.783 40.800 0.085 0.000 0.971 59 D HN 0.395 nan 8.370 nan 0.000 0.453 60 I N -1.982 118.608 120.570 0.034 0.000 2.778 60 I HA 0.286 4.456 4.170 -0.000 0.000 0.285 60 I C -2.173 173.949 176.117 0.009 0.000 1.236 60 I CA -1.663 59.661 61.300 0.041 0.000 1.089 60 I CB 1.775 39.816 38.000 0.068 0.000 1.601 60 I HN -0.274 nan 8.210 nan 0.000 0.573 61 P HA -0.022 nan 4.420 nan 0.000 0.222 61 P C -0.049 177.335 177.300 0.139 0.000 1.153 61 P CA 0.489 63.499 63.100 -0.149 0.000 0.798 61 P CB 0.067 31.717 31.700 -0.084 0.000 0.796 62 D N 1.216 121.695 120.400 0.131 0.000 2.502 62 D HA 0.307 4.947 4.640 -0.000 0.000 0.249 62 D C 1.360 177.698 176.300 0.064 0.000 1.188 62 D CA 1.927 55.990 54.000 0.105 0.000 0.890 62 D CB -0.408 40.431 40.800 0.066 0.000 1.140 62 D HN 0.297 nan 8.370 nan 0.000 0.505 66 K N 1.060 121.572 120.400 0.187 0.000 2.378 66 K HA 1.003 5.323 4.320 -0.000 0.000 0.244 66 K C -1.123 175.395 176.600 -0.137 0.000 1.039 66 K CA -1.149 55.124 56.287 -0.023 0.000 0.863 66 K CB 2.794 35.260 32.500 -0.056 0.000 1.326 66 K HN 0.711 nan 8.250 nan 0.000 0.460 67 A N 0.143 122.808 122.820 -0.259 0.000 2.581 67 A HA 0.746 5.066 4.320 -0.000 0.000 0.290 67 A C -1.609 175.882 177.584 -0.157 0.000 1.119 67 A CA -0.600 51.264 52.037 -0.289 0.000 0.670 67 A CB 1.940 20.728 19.000 -0.354 0.000 1.280 67 A HN 0.433 nan 8.150 nan 0.000 0.425 68 S N -0.878 114.767 115.700 -0.092 0.000 2.584 68 S HA 0.562 5.031 4.470 -0.000 0.000 0.280 68 S C -1.425 173.315 174.600 0.234 0.000 1.162 68 S CA -0.460 57.772 58.200 0.053 0.000 0.951 68 S CB 1.330 64.524 63.200 -0.010 0.000 1.108 68 S HN 1.172 nan 8.310 nan 0.000 0.464 69 R N 5.549 126.204 120.500 0.259 0.000 2.790 69 R HA 0.462 4.802 4.340 -0.000 0.000 0.274 69 R C -1.732 174.627 176.300 0.100 0.000 1.334 69 R CA -2.130 54.117 56.100 0.244 0.000 1.543 69 R CB 0.554 30.908 30.300 0.089 0.000 1.154 69 R HN 0.494 nan 8.270 nan 0.000 0.601 70 P HA -0.080 nan 4.420 nan 0.000 0.222 70 P C -0.482 176.839 177.300 0.034 0.000 1.147 70 P CA 0.808 63.935 63.100 0.046 0.000 0.790 70 P CB 0.436 32.160 31.700 0.040 0.000 0.780 71 S N -2.610 113.115 115.700 0.042 0.000 2.727 71 S HA 0.278 4.748 4.470 -0.000 0.000 0.278 71 S C 0.822 175.433 174.600 0.018 0.000 1.186 71 S CA -0.578 57.636 58.200 0.024 0.000 0.836 71 S CB 1.356 64.569 63.200 0.023 0.000 1.186 71 S HN -0.176 nan 8.310 nan 0.000 0.499 72 Q N 0.432 120.235 119.800 0.006 0.000 2.167 72 Q HA 0.059 4.399 4.340 -0.000 0.000 0.202 72 Q C 1.098 177.099 176.000 0.002 0.000 0.970 72 Q CA 2.150 57.951 55.803 -0.004 0.000 0.855 72 Q CB -0.300 28.433 28.738 -0.008 0.000 0.911 72 Q HN 0.763 nan 8.270 nan 0.000 0.438 73 E N -0.661 119.546 120.200 0.013 0.000 2.474 73 E HA 0.093 4.443 4.350 -0.000 0.000 0.194 73 E C -0.355 176.280 176.600 0.057 0.000 1.041 73 E CA 0.087 56.498 56.400 0.019 0.000 0.874 73 E CB 0.411 30.115 29.700 0.007 0.000 0.914 73 E HN 0.125 nan 8.360 nan 0.000 0.498 74 Q N 0.249 120.100 119.800 0.085 0.000 2.340 74 Q HA 0.498 4.837 4.340 -0.000 0.000 0.268 74 Q C -1.831 174.322 176.000 0.255 0.000 1.031 74 Q CA -0.731 55.157 55.803 0.141 0.000 0.804 74 Q CB 0.897 29.695 28.738 0.102 0.000 1.286 74 Q HN 0.030 nan 8.270 nan 0.000 0.448 75 F N 2.475 122.491 119.950 0.109 0.000 2.745 75 F HA 0.566 5.092 4.527 -0.000 0.000 0.343 75 F C -1.320 174.689 175.800 0.349 0.000 1.196 75 F CA -0.541 57.559 58.000 0.167 0.000 1.021 75 F CB 1.457 40.531 39.000 0.123 0.000 1.297 75 F HN 0.520 nan 8.300 nan 0.000 0.486 76 S N 5.433 121.102 115.700 -0.052 0.000 2.565 76 S HA 0.727 5.197 4.470 -0.000 0.000 0.290 76 S C -1.208 173.060 174.600 -0.554 0.000 1.150 76 S CA -0.603 57.485 58.200 -0.186 0.000 1.058 76 S CB 1.986 65.113 63.200 -0.122 0.000 1.032 76 S HN 0.582 nan 8.310 nan 0.000 0.510 77 L N 2.825 123.581 121.223 -0.777 0.000 2.322 77 L HA 0.679 5.019 4.340 -0.000 0.000 0.281 77 L C -1.459 175.107 176.870 -0.506 0.000 1.014 77 L CA -0.342 53.974 54.840 -0.874 0.000 0.815 77 L CB 0.883 42.008 42.059 -1.556 0.000 1.247 77 L HN 0.616 nan 8.230 nan 0.000 0.421 78 I N 5.519 125.916 120.570 -0.287 0.000 2.498 78 I HA 0.402 4.572 4.170 -0.000 0.000 0.290 78 I C -1.251 174.812 176.117 -0.090 0.000 1.032 78 I CA -0.453 60.739 61.300 -0.180 0.000 1.073 78 I CB 1.857 39.773 38.000 -0.141 0.000 1.251 78 I HN 0.324 nan 8.210 nan 0.000 0.426 79 L N 6.406 127.560 121.223 -0.115 0.000 2.324 79 L HA 0.400 4.740 4.340 -0.000 0.000 0.274 79 L C 0.931 177.738 176.870 -0.105 0.000 1.012 79 L CA 0.056 54.823 54.840 -0.122 0.000 0.859 79 L CB 1.068 43.042 42.059 -0.141 0.000 1.224 79 L HN 0.564 nan 8.230 nan 0.000 0.429 80 E N 2.611 122.756 120.200 -0.092 0.000 2.170 80 E HA 0.088 4.438 4.350 -0.000 0.000 0.191 80 E C 0.080 176.641 176.600 -0.065 0.000 0.981 80 E CA 0.655 57.013 56.400 -0.070 0.000 0.830 80 E CB 0.477 30.143 29.700 -0.057 0.000 0.775 80 E HN 0.229 nan 8.360 nan 0.000 0.470 81 L N 1.496 122.672 121.223 -0.079 0.000 2.495 81 L HA 0.375 4.715 4.340 -0.000 0.000 0.248 81 L C -0.641 176.180 176.870 -0.081 0.000 1.229 81 L CA -0.356 54.445 54.840 -0.066 0.000 0.942 81 L CB 0.580 42.605 42.059 -0.057 0.000 1.242 81 L HN -0.083 nan 8.230 nan 0.000 0.484 82 A N 2.318 125.097 122.820 -0.068 0.000 2.546 82 A HA 0.424 4.744 4.320 -0.000 0.000 0.243 82 A C 0.675 178.237 177.584 -0.036 0.000 1.063 82 A CA 0.382 52.383 52.037 -0.060 0.000 0.757 82 A CB -0.067 18.914 19.000 -0.032 0.000 0.991 82 A HN 0.673 nan 8.150 nan 0.000 0.503 83 T N 0.399 114.931 114.554 -0.036 0.000 2.916 83 T HA 0.617 4.966 4.350 -0.000 0.000 0.292 83 T C -2.353 172.364 174.700 0.028 0.000 1.055 83 T CA -1.791 60.304 62.100 -0.008 0.000 1.009 83 T CB 1.799 70.651 68.868 -0.026 0.000 1.118 83 T HN 0.196 nan 8.240 nan 0.000 0.497 84 P HA -0.103 nan 4.420 nan 0.000 0.216 84 P C 1.588 178.935 177.300 0.079 0.000 1.150 84 P CA 1.113 64.260 63.100 0.079 0.000 0.843 84 P CB -0.110 31.640 31.700 0.085 0.000 0.787 85 S N -0.743 114.992 115.700 0.058 0.000 2.465 85 S HA -0.183 4.287 4.470 -0.000 0.000 0.241 85 S C 1.455 176.104 174.600 0.083 0.000 1.000 85 S CA 1.056 59.290 58.200 0.057 0.000 0.964 85 S CB -0.776 62.443 63.200 0.032 0.000 0.763 85 S HN 0.437 nan 8.310 nan 0.000 0.512 86 Q N 0.784 120.643 119.800 0.097 0.000 2.246 86 Q HA 0.134 4.474 4.340 -0.000 0.000 0.202 86 Q C -0.335 175.821 176.000 0.260 0.000 0.883 86 Q CA 0.039 55.963 55.803 0.202 0.000 0.952 86 Q CB 0.196 29.007 28.738 0.121 0.000 1.078 86 Q HN 0.272 nan 8.270 nan 0.000 0.493 87 T N 0.811 115.462 114.554 0.162 0.000 2.814 87 T HA 0.314 4.663 4.350 -0.000 0.000 0.297 87 T C -0.091 174.650 174.700 0.068 0.000 0.956 87 T CA 0.101 62.287 62.100 0.144 0.000 1.123 87 T CB 0.992 69.932 68.868 0.120 0.000 0.902 87 T HN 0.136 nan 8.240 nan 0.000 0.528 88 S N 2.159 117.859 115.700 -0.001 0.000 2.655 88 S HA 0.376 4.846 4.470 -0.000 0.000 0.263 88 S C -1.879 172.554 174.600 -0.278 0.000 1.091 88 S CA -0.805 57.287 58.200 -0.180 0.000 0.865 88 S CB 0.424 63.417 63.200 -0.345 0.000 1.146 88 S HN 0.407 nan 8.310 nan 0.000 0.482 89 V N 2.809 122.536 119.914 -0.312 0.000 2.370 89 V HA 0.507 4.627 4.120 -0.000 0.000 0.283 89 V C -1.278 174.573 176.094 -0.405 0.000 1.023 89 V CA -0.341 61.778 62.300 -0.302 0.000 0.857 89 V CB 0.534 32.218 31.823 -0.231 0.000 0.985 89 V HN 0.717 nan 8.190 nan 0.000 0.443 90 Y N 4.568 124.802 120.300 -0.111 0.000 2.320 90 Y HA 0.623 5.173 4.550 -0.000 0.000 0.334 90 Y C -0.215 175.709 175.900 0.040 0.000 1.055 90 Y CA -0.458 57.730 58.100 0.146 0.000 1.143 90 Y CB 1.198 39.830 38.460 0.286 0.000 1.193 90 Y HN 0.498 nan 8.280 nan 0.000 0.477 91 F N 2.045 122.300 119.950 0.509 0.000 2.495 91 F HA 0.524 5.050 4.527 -0.000 0.000 0.327 91 F C 0.052 175.891 175.800 0.066 0.000 1.103 91 F CA -0.870 57.318 58.000 0.313 0.000 0.949 91 F CB 1.217 40.425 39.000 0.347 0.000 1.142 91 F HN 0.480 nan 8.300 nan 0.000 0.457 92 c N 2.665 121.211 118.600 -0.090 0.000 2.401 92 c HA 0.994 5.564 4.570 -0.000 0.000 0.356 92 c C -0.350 173.688 174.090 -0.088 0.000 1.192 92 c CA -0.056 55.951 56.329 -0.538 0.000 2.028 92 c CB 0.556 42.602 42.510 -0.774 0.000 2.344 92 c HN 1.054 nan 8.230 nan 0.000 0.525 93 A N 2.042 124.790 122.820 -0.120 0.000 2.601 93 A HA 0.854 5.173 4.320 -0.000 0.000 0.291 93 A C -0.773 176.855 177.584 0.073 0.000 1.075 93 A CA 0.233 52.188 52.037 -0.137 0.000 0.671 93 A CB 1.081 19.733 19.000 -0.580 0.000 1.277 93 A HN 2.051 nan 8.150 nan 0.000 0.417 94 S N -0.623 115.168 115.700 0.152 0.000 2.570 94 S HA 0.977 5.447 4.470 -0.000 0.000 0.270 94 S C 0.133 174.933 174.600 0.333 0.000 1.149 94 S CA 0.524 58.891 58.200 0.277 0.000 0.837 94 S CB 1.184 64.551 63.200 0.279 0.000 1.124 94 S HN 2.920 nan 8.310 nan 0.000 0.465 95 G N 0.754 109.620 108.800 0.110 0.000 2.204 95 G HA2 0.383 4.342 3.960 -0.000 0.000 0.153 95 G HA3 0.383 4.342 3.960 -0.000 0.000 0.153 95 G C 0.384 175.186 174.900 -0.164 0.000 1.295 95 G CA 0.163 45.012 45.100 -0.419 0.000 1.257 95 G HN 1.710 nan 8.290 nan 0.000 0.495 96 G N 0.273 109.007 108.800 -0.110 0.000 2.527 96 G HA2 0.568 4.527 3.960 -0.000 0.000 0.279 96 G HA3 0.568 4.527 3.960 -0.000 0.000 0.279 96 G C 1.052 175.975 174.900 0.039 0.000 1.374 96 G CA 0.867 45.938 45.100 -0.048 0.000 1.053 96 G HN 1.715 nan 8.290 nan 0.000 0.539 97 G N -1.530 107.282 108.800 0.020 0.000 2.651 97 G HA2 0.381 4.341 3.960 -0.000 0.000 0.260 97 G HA3 0.381 4.341 3.960 -0.000 0.000 0.260 97 G C 0.312 175.187 174.900 -0.041 0.000 1.216 97 G CA -0.662 44.485 45.100 0.078 0.000 0.913 97 G HN 0.555 nan 8.290 nan 0.000 0.535 98 R N -0.268 120.236 120.500 0.006 0.000 2.489 98 R HA 0.305 4.645 4.340 -0.000 0.000 0.287 98 R C 1.424 177.547 176.300 -0.295 0.000 1.053 98 R CA 1.239 57.222 56.100 -0.195 0.000 1.036 98 R CB 0.124 30.265 30.300 -0.266 0.000 0.966 98 R HN 1.199 nan 8.270 nan 0.000 0.432 99 G N 2.186 110.681 108.800 -0.507 0.000 2.245 99 G HA2 -0.310 3.650 3.960 -0.000 0.000 0.264 99 G HA3 -0.310 3.650 3.960 -0.000 0.000 0.264 99 G C 0.230 174.768 174.900 -0.602 0.000 0.985 99 G CA 0.662 45.441 45.100 -0.536 0.000 0.625 99 G HN 0.598 nan 8.290 nan 0.000 0.536 100 S N 0.606 116.006 115.700 -0.499 0.000 3.940 100 S HA 0.536 5.006 4.470 -0.000 0.000 0.210 100 S C 1.458 175.859 174.600 -0.331 0.000 1.419 100 S CA -0.192 57.827 58.200 -0.302 0.000 0.912 100 S CB -0.391 62.705 63.200 -0.172 0.000 1.489 100 S HN 0.331 nan 8.310 nan 0.000 0.469 101 Y N 2.189 122.434 120.300 -0.092 0.000 2.333 101 Y HA 0.047 4.597 4.550 -0.000 0.000 0.290 101 Y C 1.807 177.650 175.900 -0.094 0.000 1.144 101 Y CA 0.723 58.781 58.100 -0.070 0.000 1.228 101 Y CB -0.712 37.718 38.460 -0.050 0.000 0.985 101 Y HN 0.681 nan 8.280 nan 0.000 0.542 106 Q N 0.438 120.106 119.800 -0.221 0.000 2.306 106 Q HA 0.449 4.789 4.340 -0.000 0.000 0.241 106 Q C -0.784 175.007 176.000 -0.349 0.000 0.948 106 Q CA 0.145 55.810 55.803 -0.230 0.000 0.886 106 Q CB 0.798 29.293 28.738 -0.405 0.000 1.227 106 Q HN -0.097 nan 8.270 nan 0.000 0.457 107 F N 1.639 121.544 119.950 -0.075 0.000 2.445 107 F HA 0.363 4.890 4.527 -0.000 0.000 0.348 107 F C -0.579 175.210 175.800 -0.018 0.000 1.125 107 F CA -0.683 57.352 58.000 0.058 0.000 0.983 107 F CB 0.613 39.693 39.000 0.133 0.000 1.198 107 F HN 0.402 nan 8.300 nan 0.000 0.436 108 F N 1.252 121.279 119.950 0.128 0.000 2.380 108 F HA 0.587 5.114 4.527 -0.000 0.000 0.325 108 F C 1.155 177.050 175.800 0.158 0.000 1.136 108 F CA -0.333 57.740 58.000 0.122 0.000 1.171 108 F CB 0.587 39.591 39.000 0.007 0.000 1.230 108 F HN 0.479 nan 8.300 nan 0.000 0.554 109 G N 0.563 109.587 108.800 0.374 0.000 2.511 109 G HA2 0.409 4.369 3.960 -0.000 0.000 0.316 109 G HA3 0.409 4.369 3.960 -0.000 0.000 0.316 109 G C -2.035 173.057 174.900 0.319 0.000 1.210 109 G CA -1.260 43.994 45.100 0.257 0.000 0.969 109 G HN 0.448 nan 8.290 nan 0.000 0.492 110 P HA 0.084 nan 4.420 nan 0.000 0.234 110 P C 0.893 178.238 177.300 0.076 0.000 1.167 110 P CA 1.217 64.412 63.100 0.159 0.000 0.763 110 P CB -0.025 31.727 31.700 0.085 0.000 0.835 111 G N -0.658 108.117 108.800 -0.041 0.000 2.722 111 G HA2 -0.104 3.856 3.960 -0.000 0.000 0.686 111 G HA3 -0.104 3.856 3.960 -0.000 0.000 0.686 111 G C -0.840 173.902 174.900 -0.264 0.000 1.282 111 G CA -0.681 44.088 45.100 -0.551 0.000 0.817 111 G HN 0.184 nan 8.290 nan 0.000 0.605 112 T N 3.023 117.451 114.554 -0.210 0.000 2.840 112 T HA 0.543 4.893 4.350 -0.000 0.000 0.287 112 T C 0.330 174.972 174.700 -0.097 0.000 0.991 112 T CA -0.728 61.331 62.100 -0.068 0.000 0.964 112 T CB 1.389 70.319 68.868 0.104 0.000 0.954 112 T HN 0.598 nan 8.240 nan 0.000 0.438 113 R N 2.912 123.278 120.500 -0.223 0.000 2.216 113 R HA 0.409 4.748 4.340 -0.000 0.000 0.332 113 R C -1.125 175.058 176.300 -0.195 0.000 1.056 113 R CA -0.662 55.234 56.100 -0.340 0.000 0.901 113 R CB 0.587 30.441 30.300 -0.742 0.000 1.039 113 R HN 0.373 nan 8.270 nan 0.000 0.456 114 L N 3.069 124.313 121.223 0.035 0.000 2.376 114 L HA 0.431 4.771 4.340 -0.000 0.000 0.275 114 L C -0.985 176.009 176.870 0.205 0.000 0.987 114 L CA -0.047 54.900 54.840 0.179 0.000 0.828 114 L CB 2.311 44.549 42.059 0.298 0.000 1.249 114 L HN 0.438 nan 8.230 nan 0.000 0.409 115 T N 4.491 119.171 114.554 0.210 0.000 2.812 115 T HA 0.676 5.026 4.350 -0.000 0.000 0.282 115 T C -0.500 174.257 174.700 0.095 0.000 0.990 115 T CA -0.401 61.780 62.100 0.136 0.000 0.960 115 T CB 1.556 70.449 68.868 0.041 0.000 0.948 115 T HN 0.346 nan 8.240 nan 0.000 0.438 116 V N 3.107 123.084 119.914 0.105 0.000 2.850 116 V HA 0.509 4.628 4.120 -0.000 0.000 0.315 116 V C 0.828 176.992 176.094 0.116 0.000 1.064 116 V CA -0.740 61.616 62.300 0.094 0.000 0.979 116 V CB 1.761 33.634 31.823 0.083 0.000 1.039 116 V HN 1.004 nan 8.190 nan 0.000 0.452 117 E N 0.706 120.981 120.200 0.125 0.000 2.810 117 E HA 0.285 4.635 4.350 -0.000 0.000 0.214 117 E C -0.877 175.758 176.600 0.058 0.000 0.980 117 E CA -0.150 56.297 56.400 0.078 0.000 1.159 117 E CB 1.267 31.009 29.700 0.070 0.000 1.047 117 E HN 0.618 nan 8.360 nan 0.000 0.484 118 D N 1.059 121.507 120.400 0.079 0.000 2.301 118 D HA 0.104 4.743 4.640 -0.000 0.000 0.203 118 D C 0.602 176.967 176.300 0.109 0.000 1.300 118 D CA -0.266 53.766 54.000 0.053 0.000 0.899 118 D CB 1.043 41.848 40.800 0.008 0.000 1.597 118 D HN 0.003 nan 8.370 nan 0.000 0.538 119 L N 2.623 123.921 121.223 0.124 0.000 2.549 119 L HA -0.004 4.336 4.340 -0.000 0.000 0.229 119 L C 2.261 179.335 176.870 0.340 0.000 1.158 119 L CA 0.545 55.529 54.840 0.240 0.000 0.842 119 L CB -0.132 42.107 42.059 0.300 0.000 0.952 119 L HN 0.182 nan 8.230 nan 0.000 0.452 120 R N 0.076 120.688 120.500 0.187 0.000 2.285 120 R HA -0.121 4.219 4.340 -0.000 0.000 0.213 120 R C 1.803 178.217 176.300 0.189 0.000 1.068 120 R CA 0.663 56.886 56.100 0.205 0.000 1.004 120 R CB -0.149 30.166 30.300 0.024 0.000 0.873 120 R HN 0.562 nan 8.270 nan 0.000 0.467 121 Q N 0.405 120.305 119.800 0.167 0.000 2.378 121 Q HA 0.040 4.379 4.340 -0.000 0.000 0.205 121 Q C 0.249 176.477 176.000 0.380 0.000 0.954 121 Q CA 0.277 56.166 55.803 0.143 0.000 0.901 121 Q CB 0.403 29.206 28.738 0.108 0.000 0.981 121 Q HN 0.056 nan 8.270 nan 0.000 0.483 122 V N 2.302 122.455 119.914 0.398 0.000 2.572 122 V HA 0.095 4.215 4.120 -0.000 0.000 0.291 122 V C 0.356 176.652 176.094 0.338 0.000 1.039 122 V CA 0.242 62.796 62.300 0.423 0.000 1.055 122 V CB 0.760 32.767 31.823 0.306 0.000 0.969 122 V HN 0.270 nan 8.190 nan 0.000 0.482 123 T N 4.239 119.009 114.554 0.361 0.000 2.952 123 T HA 0.548 4.897 4.350 -0.000 0.000 0.305 123 T C -2.873 171.717 174.700 -0.183 0.000 1.064 123 T CA -1.850 60.330 62.100 0.132 0.000 1.008 123 T CB 2.536 71.479 68.868 0.125 0.000 1.078 123 T HN 0.464 nan 8.240 nan 0.000 0.459 124 P HA 0.347 nan 4.420 nan 0.000 0.274 124 P C -2.573 174.393 177.300 -0.557 0.000 1.246 124 P CA -1.356 61.174 63.100 -0.950 0.000 0.795 124 P CB 0.029 31.470 31.700 -0.432 0.000 1.006 125 P HA 0.266 nan 4.420 nan 0.000 0.279 125 P C -0.891 176.375 177.300 -0.056 0.000 1.276 125 P CA -0.399 62.643 63.100 -0.097 0.000 0.801 125 P CB 0.987 32.581 31.700 -0.177 0.000 1.127 126 K N 0.837 121.265 120.400 0.048 0.000 2.507 126 K HA 0.398 4.718 4.320 -0.000 0.000 0.253 126 K C -1.328 175.290 176.600 0.030 0.000 0.969 126 K CA -0.653 55.647 56.287 0.023 0.000 0.908 126 K CB 0.782 33.311 32.500 0.047 0.000 1.127 126 K HN 0.147 nan 8.250 nan 0.000 0.437 127 V N 2.799 122.695 119.914 -0.029 0.000 2.439 127 V HA 0.459 4.579 4.120 -0.000 0.000 0.282 127 V C -0.398 175.628 176.094 -0.114 0.000 1.039 127 V CA -0.512 61.749 62.300 -0.064 0.000 0.913 127 V CB 1.518 33.277 31.823 -0.107 0.000 0.983 127 V HN 0.796 nan 8.190 nan 0.000 0.460 128 S N 4.472 120.060 115.700 -0.187 0.000 2.541 128 S HA 0.664 5.134 4.470 -0.000 0.000 0.271 128 S C -0.887 173.313 174.600 -0.667 0.000 1.133 128 S CA -0.640 57.319 58.200 -0.401 0.000 0.876 128 S CB 1.760 64.695 63.200 -0.443 0.000 1.105 128 S HN 0.515 nan 8.310 nan 0.000 0.470 129 L N 2.687 123.543 121.223 -0.612 0.000 2.325 129 L HA 0.657 4.997 4.340 -0.000 0.000 0.279 129 L C -1.214 175.269 176.870 -0.645 0.000 1.054 129 L CA -0.278 54.289 54.840 -0.455 0.000 0.804 129 L CB 0.657 42.633 42.059 -0.139 0.000 1.200 129 L HN 0.582 nan 8.230 nan 0.000 0.436 130 F N 0.647 120.621 119.950 0.040 0.000 2.764 130 F HA 0.595 5.122 4.527 -0.000 0.000 0.347 130 F C -0.404 175.365 175.800 -0.052 0.000 1.151 130 F CA -0.974 57.032 58.000 0.011 0.000 1.021 130 F CB 1.378 40.388 39.000 0.016 0.000 1.438 130 F HN 0.223 nan 8.300 nan 0.000 0.516 131 E N 0.774 121.085 120.200 0.185 0.000 2.349 131 E HA 0.504 4.853 4.350 -0.000 0.000 0.290 131 E C -2.903 173.705 176.600 0.014 0.000 0.901 131 E CA -1.494 54.909 56.400 0.005 0.000 0.800 131 E CB 1.340 31.039 29.700 -0.002 0.000 1.303 131 E HN 0.237 nan 8.360 nan 0.000 0.397 132 P HA 0.533 nan 4.420 nan 0.000 0.297 132 P C -1.263 176.025 177.300 -0.020 0.000 1.303 132 P CA -0.661 62.425 63.100 -0.025 0.000 0.753 132 P CB 0.786 32.464 31.700 -0.036 0.000 1.281 133 S N -3.711 111.980 115.700 -0.014 0.000 2.541 133 S HA 0.590 5.060 4.470 -0.000 0.000 0.271 133 S C 0.517 175.115 174.600 -0.004 0.000 1.133 133 S CA -0.326 57.873 58.200 -0.002 0.000 0.876 133 S CB 1.442 64.648 63.200 0.010 0.000 1.105 133 S HN 0.374 nan 8.310 nan 0.000 0.470 134 K N 0.868 121.269 120.400 0.002 0.000 2.280 134 K HA 0.303 4.623 4.320 -0.000 0.000 0.202 134 K C 2.154 178.756 176.600 0.002 0.000 1.047 134 K CA 1.704 57.992 56.287 0.001 0.000 0.942 134 K CB -1.359 31.146 32.500 0.008 0.000 0.739 134 K HN 1.230 nan 8.250 nan 0.000 0.457 135 A N 1.447 124.271 122.820 0.006 0.000 2.070 135 A HA -0.136 4.184 4.320 -0.000 0.000 0.220 135 A C 1.939 179.522 177.584 -0.001 0.000 1.159 135 A CA 1.458 53.497 52.037 0.005 0.000 0.656 135 A CB -0.216 18.789 19.000 0.008 0.000 0.800 135 A HN 0.727 nan 8.150 nan 0.000 0.453 136 E N -0.580 119.617 120.200 -0.004 0.000 2.502 136 E HA 0.174 4.524 4.350 -0.000 0.000 0.194 136 E C 0.463 177.058 176.600 -0.009 0.000 1.062 136 E CA 0.427 56.821 56.400 -0.009 0.000 0.867 136 E CB -0.246 29.445 29.700 -0.014 0.000 0.888 136 E HN 0.900 nan 8.360 nan 0.000 0.510 137 I N -5.620 114.946 120.570 -0.006 0.000 3.352 137 I HA 0.616 4.786 4.170 -0.000 0.000 0.316 137 I C -0.565 175.550 176.117 -0.004 0.000 1.214 137 I CA -1.233 60.064 61.300 -0.006 0.000 0.934 137 I CB 1.913 39.908 38.000 -0.008 0.000 1.310 137 I HN -0.311 nan 8.210 nan 0.000 0.475 138 A N 1.067 123.885 122.820 -0.004 0.000 2.606 138 A HA 0.467 4.787 4.320 -0.000 0.000 0.290 138 A C 0.055 177.637 177.584 -0.003 0.000 1.174 138 A CA -0.321 51.715 52.037 -0.002 0.000 0.958 138 A CB -0.771 18.228 19.000 -0.002 0.000 1.194 138 A HN 0.780 nan 8.150 nan 0.000 0.526 139 N N 0.142 118.840 118.700 -0.004 0.000 2.223 139 N HA 0.258 4.998 4.740 -0.000 0.000 0.258 139 N C 1.070 176.577 175.510 -0.004 0.000 1.251 139 N CA 0.020 53.067 53.050 -0.005 0.000 0.894 139 N CB 0.053 38.535 38.487 -0.007 0.000 1.204 139 N HN 0.124 nan 8.380 nan 0.000 0.398 140 K N -0.352 120.044 120.400 -0.007 0.000 4.355 140 K HA 0.166 4.485 4.320 -0.000 0.000 0.265 140 K C 1.091 177.685 176.600 -0.010 0.000 1.289 140 K CA 0.262 56.545 56.287 -0.006 0.000 1.755 140 K CB -0.556 31.939 32.500 -0.007 0.000 2.770 140 K HN 0.437 nan 8.250 nan 0.000 0.626 141 Q N 0.471 120.261 119.800 -0.017 0.000 2.462 141 Q HA 0.135 4.475 4.340 -0.000 0.000 0.224 141 Q C 1.272 177.250 176.000 -0.038 0.000 0.911 141 Q CA 2.552 58.339 55.803 -0.028 0.000 0.925 141 Q CB 0.056 28.775 28.738 -0.033 0.000 1.063 141 Q HN 0.523 nan 8.270 nan 0.000 0.572 142 K N 0.814 121.194 120.400 -0.034 0.000 11.019 142 K HA -0.139 4.181 4.320 -0.000 0.000 0.526 142 K C 0.719 177.288 176.600 -0.051 0.000 0.390 142 K CA 3.000 59.266 56.287 -0.035 0.000 1.933 142 K CB -2.308 30.176 32.500 -0.028 0.000 0.774 142 K HN 1.480 nan 8.250 nan 0.000 1.230 143 A N -1.396 121.383 122.820 -0.068 0.000 2.577 143 A HA 0.677 4.997 4.320 -0.000 0.000 0.297 143 A C 0.838 178.332 177.584 -0.149 0.000 1.060 143 A CA 0.709 52.685 52.037 -0.101 0.000 0.697 143 A CB 1.314 20.269 19.000 -0.075 0.000 1.281 143 A HN 1.064 nan 8.150 nan 0.000 0.402 144 T N 1.142 115.560 114.554 -0.226 0.000 2.975 144 T HA 0.244 4.594 4.350 -0.000 0.000 0.220 144 T C 0.687 175.146 174.700 -0.402 0.000 1.011 144 T CA 0.771 62.661 62.100 -0.350 0.000 1.880 144 T CB -0.550 68.058 68.868 -0.434 0.000 1.348 144 T HN 0.441 nan 8.240 nan 0.000 0.415 145 L N 1.210 122.120 121.223 -0.522 0.000 2.452 145 L HA 0.406 4.745 4.340 -0.000 0.000 0.267 145 L C -0.362 176.446 176.870 -0.103 0.000 1.188 145 L CA 0.016 54.612 54.840 -0.407 0.000 0.821 145 L CB 0.202 41.974 42.059 -0.478 0.000 1.102 145 L HN 0.121 nan 8.230 nan 0.000 0.470 146 V N 0.693 120.663 119.914 0.092 0.000 2.638 146 V HA 0.398 4.518 4.120 -0.000 0.000 0.306 146 V C -0.730 175.547 176.094 0.304 0.000 1.052 146 V CA -0.656 61.790 62.300 0.244 0.000 0.885 146 V CB 1.958 33.920 31.823 0.232 0.000 0.999 146 V HN 0.912 nan 8.190 nan 0.000 0.424 147 c N 6.356 125.153 118.600 0.328 0.000 2.456 147 c HA 0.920 5.490 4.570 -0.000 0.000 0.325 147 c C -0.852 173.326 174.090 0.146 0.000 1.217 147 c CA -0.446 55.953 56.329 0.117 0.000 1.687 147 c CB 0.814 43.260 42.510 -0.107 0.000 2.270 147 c HN 0.864 nan 8.230 nan 0.000 0.499 148 L N 5.373 126.663 121.223 0.112 0.000 2.505 148 L HA 0.797 5.137 4.340 -0.000 0.000 0.266 148 L C -0.487 176.470 176.870 0.146 0.000 0.954 148 L CA -0.074 54.883 54.840 0.194 0.000 0.852 148 L CB 1.638 43.911 42.059 0.357 0.000 1.282 148 L HN 0.893 nan 8.230 nan 0.000 0.403 149 A N 4.675 127.606 122.820 0.185 0.000 2.318 149 A HA 0.991 5.311 4.320 -0.000 0.000 0.324 149 A C -0.729 177.093 177.584 0.396 0.000 1.170 149 A CA -0.519 51.656 52.037 0.230 0.000 0.810 149 A CB 0.976 20.068 19.000 0.153 0.000 1.198 149 A HN 0.839 nan 8.150 nan 0.000 0.484 150 R N 0.367 121.069 120.500 0.337 0.000 2.710 150 R HA 0.739 5.079 4.340 -0.000 0.000 0.270 150 R C 0.411 176.809 176.300 0.163 0.000 1.021 150 R CA -0.212 56.014 56.100 0.210 0.000 0.889 150 R CB 0.761 31.134 30.300 0.122 0.000 1.243 150 R HN 2.068 nan 8.270 nan 0.000 0.464 151 G N 0.051 108.864 108.800 0.021 0.000 2.136 151 G HA2 -0.232 3.728 3.960 -0.000 0.000 0.242 151 G HA3 -0.232 3.728 3.960 -0.000 0.000 0.242 151 G C -0.393 174.570 174.900 0.105 0.000 0.989 151 G CA 0.471 45.594 45.100 0.038 0.000 0.682 151 G HN 0.724 nan 8.290 nan 0.000 0.522 152 F N -1.413 118.611 119.950 0.124 0.000 2.440 152 F HA 0.913 5.440 4.527 -0.000 0.000 0.328 152 F C -0.456 175.617 175.800 0.455 0.000 1.070 152 F CA -2.886 55.182 58.000 0.114 0.000 1.011 152 F CB 1.391 40.372 39.000 -0.032 0.000 1.226 152 F HN 0.150 nan 8.300 nan 0.000 0.491 153 F N 2.385 122.652 119.950 0.529 0.000 2.639 153 F HA 0.543 5.070 4.527 -0.000 0.000 0.326 153 F C -2.966 173.126 175.800 0.486 0.000 1.150 153 F CA -2.092 56.209 58.000 0.502 0.000 1.057 153 F CB 1.822 41.032 39.000 0.350 0.000 1.300 153 F HN 0.294 nan 8.300 nan 0.000 0.486 154 P HA 0.138 nan 4.420 nan 0.000 0.312 154 P C -0.567 176.720 177.300 -0.023 0.000 1.307 154 P CA 0.111 62.859 63.100 -0.585 0.000 0.738 154 P CB 0.508 31.773 31.700 -0.727 0.000 1.422 155 D N -1.611 118.619 120.400 -0.284 0.000 2.690 155 D HA -0.039 4.601 4.640 -0.000 0.000 0.236 155 D C -0.384 176.019 176.300 0.173 0.000 1.218 155 D CA 0.127 54.052 54.000 -0.126 0.000 0.829 155 D CB -1.433 38.850 40.800 -0.861 0.000 1.009 155 D HN 0.472 nan 8.370 nan 0.000 0.482 156 H N 0.361 119.381 119.070 -0.083 0.000 2.882 156 H HA 0.356 4.912 4.556 -0.000 0.000 0.258 156 H C 0.031 175.300 175.328 -0.099 0.000 1.579 156 H CA -0.837 55.145 56.048 -0.111 0.000 1.340 156 H CB 0.539 30.196 29.762 -0.176 0.000 1.645 156 H HN 0.116 nan 8.280 nan 0.000 0.541 157 V N 0.147 120.077 119.914 0.027 0.000 3.078 157 V HA 0.588 4.708 4.120 -0.000 0.000 0.311 157 V C -0.769 175.311 176.094 -0.023 0.000 1.138 157 V CA -1.134 61.117 62.300 -0.081 0.000 1.007 157 V CB 2.872 34.490 31.823 -0.343 0.000 1.045 157 V HN 0.435 nan 8.190 nan 0.000 0.432 158 E N 2.192 122.369 120.200 -0.038 0.000 2.275 158 E HA 0.692 5.042 4.350 -0.000 0.000 0.270 158 E C -1.339 175.244 176.600 -0.028 0.000 0.882 158 E CA -0.326 56.076 56.400 0.004 0.000 0.758 158 E CB 2.629 32.362 29.700 0.054 0.000 1.195 158 E HN 0.887 nan 8.360 nan 0.000 0.419 159 L N 2.470 123.683 121.223 -0.017 0.000 2.341 159 L HA 0.760 5.099 4.340 -0.000 0.000 0.278 159 L C -1.058 175.786 176.870 -0.044 0.000 1.005 159 L CA -0.281 54.518 54.840 -0.068 0.000 0.818 159 L CB 1.135 43.144 42.059 -0.084 0.000 1.259 159 L HN 0.772 nan 8.230 nan 0.000 0.418 160 S N 1.884 117.538 115.700 -0.076 0.000 2.588 160 S HA 0.625 5.095 4.470 -0.000 0.000 0.275 160 S C -1.658 172.903 174.600 -0.064 0.000 1.130 160 S CA -0.798 57.404 58.200 0.003 0.000 0.855 160 S CB 1.248 64.554 63.200 0.177 0.000 1.116 160 S HN 0.585 nan 8.310 nan 0.000 0.472 161 W N 0.416 121.732 121.300 0.027 0.000 2.573 161 W HA 0.674 5.334 4.660 -0.000 0.000 0.326 161 W C -1.595 174.887 176.519 -0.062 0.000 1.049 161 W CA -0.249 57.136 57.345 0.067 0.000 1.220 161 W CB 1.588 31.042 29.460 -0.011 0.000 1.373 161 W HN 0.674 nan 8.180 nan 0.000 0.507 162 W N 4.145 125.589 121.300 0.240 0.000 2.591 162 W HA 0.468 5.128 4.660 -0.000 0.000 0.311 162 W C -0.784 175.809 176.519 0.124 0.000 1.003 162 W CA -1.242 56.170 57.345 0.112 0.000 1.332 162 W CB 0.829 30.318 29.460 0.047 0.000 1.272 162 W HN 0.144 nan 8.180 nan 0.000 0.412 163 V N 1.491 121.523 119.914 0.197 0.000 2.370 163 V HA 0.507 4.627 4.120 -0.000 0.000 0.279 163 V C 0.381 176.508 176.094 0.056 0.000 1.029 163 V CA -0.900 61.428 62.300 0.046 0.000 0.870 163 V CB 1.329 33.085 31.823 -0.112 0.000 0.984 163 V HN 0.708 nan 8.190 nan 0.000 0.451 164 N N 3.690 122.412 118.700 0.037 0.000 2.754 164 N HA -0.171 4.569 4.740 -0.000 0.000 0.248 164 N C 1.103 176.634 175.510 0.034 0.000 1.093 164 N CA 1.649 54.706 53.050 0.012 0.000 0.699 164 N CB -1.415 37.102 38.487 0.049 0.000 1.016 164 N HN 2.145 nan 8.380 nan 0.000 0.552 165 G N -2.574 106.266 108.800 0.066 0.000 2.153 165 G HA2 -0.087 3.873 3.960 -0.000 0.000 0.252 165 G HA3 -0.087 3.873 3.960 -0.000 0.000 0.252 165 G C 0.067 175.152 174.900 0.309 0.000 0.994 165 G CA 1.468 46.648 45.100 0.133 0.000 0.698 165 G HN 1.136 nan 8.290 nan 0.000 0.521 166 K N 0.127 120.693 120.400 0.277 0.000 2.471 166 K HA 0.816 5.135 4.320 -0.000 0.000 0.252 166 K C -0.114 176.417 176.600 -0.115 0.000 0.938 166 K CA 0.064 56.426 56.287 0.125 0.000 0.796 166 K CB 1.364 33.883 32.500 0.032 0.000 1.161 166 K HN 0.647 nan 8.250 nan 0.000 0.425 167 E N 1.539 121.344 120.200 -0.659 0.000 2.376 167 E HA 0.320 4.670 4.350 -0.000 0.000 0.266 167 E C 0.165 176.394 176.600 -0.618 0.000 1.009 167 E CA -0.258 55.468 56.400 -1.123 0.000 0.902 167 E CB 0.697 29.384 29.700 -1.689 0.000 0.972 167 E HN 0.582 nan 8.360 nan 0.000 0.439 168 V N 2.454 122.051 119.914 -0.529 0.000 2.994 168 V HA 0.424 4.544 4.120 -0.000 0.000 0.318 168 V C 0.113 175.868 176.094 -0.565 0.000 1.085 168 V CA -0.402 61.670 62.300 -0.381 0.000 0.998 168 V CB 1.835 33.544 31.823 -0.191 0.000 1.063 168 V HN 0.863 nan 8.190 nan 0.000 0.447 169 H N -0.405 118.615 119.070 -0.083 0.000 3.771 169 H HA 0.311 4.867 4.556 -0.000 0.000 0.260 169 H C 0.369 175.660 175.328 -0.061 0.000 1.158 169 H CA 0.145 56.161 56.048 -0.053 0.000 1.170 169 H CB 0.966 30.695 29.762 -0.056 0.000 1.539 169 H HN 0.643 nan 8.280 nan 0.000 0.634 170 S N 0.543 116.242 115.700 -0.000 0.000 2.448 170 S HA 0.362 4.831 4.470 -0.000 0.000 0.279 170 S C 1.218 175.757 174.600 -0.101 0.000 1.195 170 S CA 0.559 58.731 58.200 -0.046 0.000 1.051 170 S CB 0.873 64.032 63.200 -0.069 0.000 0.948 170 S HN 0.712 nan 8.310 nan 0.000 0.493 171 G N 2.153 110.901 108.800 -0.087 0.000 2.143 171 G HA2 -0.230 3.730 3.960 -0.000 0.000 0.249 171 G HA3 -0.230 3.730 3.960 -0.000 0.000 0.249 171 G C 0.031 174.835 174.900 -0.159 0.000 0.981 171 G CA -0.153 44.872 45.100 -0.125 0.000 0.665 171 G HN 0.676 nan 8.290 nan 0.000 0.528 172 V N 0.806 120.660 119.914 -0.100 0.000 2.461 172 V HA 0.676 4.796 4.120 -0.000 0.000 0.275 172 V C 0.607 176.727 176.094 0.044 0.000 1.047 172 V CA 0.518 62.790 62.300 -0.046 0.000 0.955 172 V CB 1.728 33.611 31.823 0.100 0.000 0.988 172 V HN 0.505 nan 8.190 nan 0.000 0.471 173 S N 3.662 119.411 115.700 0.081 0.000 2.539 173 S HA 0.458 4.927 4.470 -0.000 0.000 0.235 173 S C -0.180 174.508 174.600 0.146 0.000 1.326 173 S CA -0.447 57.806 58.200 0.088 0.000 1.183 173 S CB 0.528 63.753 63.200 0.042 0.000 1.073 173 S HN 0.827 nan 8.310 nan 0.000 0.480 174 T N 3.337 117.982 114.554 0.151 0.000 2.929 174 T HA 0.368 4.718 4.350 -0.000 0.000 0.284 174 T C -0.512 174.256 174.700 0.113 0.000 1.014 174 T CA -0.648 61.543 62.100 0.152 0.000 1.051 174 T CB 0.813 69.770 68.868 0.148 0.000 1.028 174 T HN 0.459 nan 8.240 nan 0.000 0.485 175 D N 3.422 123.891 120.400 0.115 0.000 2.443 175 D HA 0.097 4.737 4.640 -0.000 0.000 0.239 175 D C -0.750 175.605 176.300 0.091 0.000 1.136 175 D CA -1.521 52.540 54.000 0.101 0.000 0.879 175 D CB 0.840 41.711 40.800 0.118 0.000 1.195 175 D HN 0.274 nan 8.370 nan 0.000 0.443 176 P HA -0.178 nan 4.420 nan 0.000 0.218 176 P C 0.038 177.381 177.300 0.072 0.000 1.148 176 P CA 1.084 64.221 63.100 0.062 0.000 0.822 176 P CB 0.700 32.428 31.700 0.047 0.000 0.784 177 Q N -1.532 118.322 119.800 0.091 0.000 2.403 177 Q HA 0.531 4.870 4.340 -0.000 0.000 0.267 177 Q C -1.606 174.486 176.000 0.153 0.000 0.991 177 Q CA -0.712 55.156 55.803 0.107 0.000 0.906 177 Q CB 1.839 30.630 28.738 0.090 0.000 1.422 177 Q HN 0.047 nan 8.270 nan 0.000 0.400 178 A N 1.602 124.541 122.820 0.199 0.000 2.546 178 A HA 0.418 4.738 4.320 -0.000 0.000 0.243 178 A C -0.432 177.359 177.584 0.344 0.000 1.063 178 A CA 0.968 53.187 52.037 0.303 0.000 0.757 178 A CB -0.551 18.708 19.000 0.433 0.000 0.991 178 A HN 0.795 nan 8.150 nan 0.000 0.503 179 Y N -0.173 120.295 120.300 0.280 0.000 2.419 179 Y HA 0.684 5.233 4.550 -0.000 0.000 0.328 179 Y C 0.547 176.491 175.900 0.075 0.000 1.162 179 Y CA -0.884 57.329 58.100 0.188 0.000 1.174 179 Y CB 0.113 38.629 38.460 0.092 0.000 1.228 179 Y HN 1.344 nan 8.280 nan 0.000 0.473 180 K N 1.786 122.102 120.400 -0.141 0.000 2.312 180 K HA 0.378 4.698 4.320 -0.000 0.000 0.287 180 K C 0.379 176.832 176.600 -0.245 0.000 1.062 180 K CA 0.163 56.170 56.287 -0.467 0.000 0.934 180 K CB -0.333 31.859 32.500 -0.514 0.000 1.027 180 K HN 1.002 nan 8.250 nan 0.000 0.478 181 E N 0.460 120.521 120.200 -0.232 0.000 2.447 181 E HA 0.050 4.400 4.350 -0.000 0.000 0.195 181 E C 0.567 177.088 176.600 -0.132 0.000 1.028 181 E CA 0.643 56.962 56.400 -0.135 0.000 0.876 181 E CB 0.142 29.784 29.700 -0.096 0.000 0.885 181 E HN 0.586 nan 8.360 nan 0.000 0.500 190 Y N 1.376 121.443 120.300 -0.388 0.000 2.567 190 Y HA 0.797 5.347 4.550 -0.000 0.000 0.333 190 Y C 0.588 176.018 175.900 -0.784 0.000 1.106 190 Y CA -0.473 57.248 58.100 -0.632 0.000 1.157 190 Y CB 1.725 39.694 38.460 -0.818 0.000 1.277 190 Y HN 0.862 nan 8.280 nan 0.000 0.490 191 C N 2.669 121.867 119.300 -0.169 0.000 2.898 191 C HA 0.900 5.359 4.460 -0.000 0.000 0.304 191 C C -1.896 173.268 174.990 0.291 0.000 1.237 191 C CA -0.769 58.291 59.018 0.070 0.000 1.529 191 C CB 0.762 28.535 27.740 0.055 0.000 2.021 191 C HN 0.813 nan 8.230 nan 0.000 0.474 192 L N 4.338 125.770 121.223 0.347 0.000 2.611 192 L HA 0.709 5.049 4.340 -0.000 0.000 0.260 192 L C -0.302 176.697 176.870 0.215 0.000 0.924 192 L CA 0.349 55.368 54.840 0.299 0.000 0.901 192 L CB 2.224 44.499 42.059 0.360 0.000 1.369 192 L HN 1.034 nan 8.230 nan 0.000 0.415 193 S N 2.248 118.052 115.700 0.173 0.000 2.677 193 S HA 0.989 5.459 4.470 -0.000 0.000 0.304 193 S C -0.576 174.122 174.600 0.164 0.000 1.108 193 S CA -0.536 57.762 58.200 0.164 0.000 0.944 193 S CB 1.937 65.230 63.200 0.156 0.000 1.127 193 S HN 0.890 nan 8.310 nan 0.000 0.511 194 S N -0.421 115.402 115.700 0.205 0.000 2.588 194 S HA 0.734 5.204 4.470 -0.000 0.000 0.269 194 S C -1.927 172.889 174.600 0.359 0.000 1.157 194 S CA -0.876 57.498 58.200 0.290 0.000 0.824 194 S CB 1.345 64.752 63.200 0.346 0.000 1.126 194 S HN 0.846 nan 8.310 nan 0.000 0.464 195 R N 0.694 121.384 120.500 0.317 0.000 2.626 195 R HA 0.660 5.000 4.340 -0.000 0.000 0.274 195 R C -1.898 174.305 176.300 -0.161 0.000 1.031 195 R CA -0.691 55.483 56.100 0.123 0.000 0.898 195 R CB 1.839 32.161 30.300 0.037 0.000 1.222 195 R HN 0.433 nan 8.270 nan 0.000 0.455 196 L N 1.712 122.636 121.223 -0.498 0.000 2.345 196 L HA 0.585 4.924 4.340 -0.000 0.000 0.274 196 L C -0.474 176.122 176.870 -0.458 0.000 0.999 196 L CA -0.175 54.206 54.840 -0.766 0.000 0.849 196 L CB 1.380 42.507 42.059 -1.554 0.000 1.220 196 L HN 0.768 nan 8.230 nan 0.000 0.422 197 R N 4.823 125.142 120.500 -0.302 0.000 2.248 197 R HA 0.662 5.001 4.340 -0.000 0.000 0.337 197 R C -0.460 175.737 176.300 -0.172 0.000 1.106 197 R CA 0.223 56.197 56.100 -0.210 0.000 0.959 197 R CB -0.348 29.866 30.300 -0.143 0.000 1.075 197 R HN 0.748 nan 8.270 nan 0.000 0.480 198 V N -0.651 119.180 119.914 -0.138 0.000 3.177 198 V HA 0.821 4.941 4.120 -0.000 0.000 0.319 198 V C 0.486 176.589 176.094 0.016 0.000 1.125 198 V CA -0.452 61.823 62.300 -0.042 0.000 1.029 198 V CB 2.079 33.990 31.823 0.146 0.000 1.119 198 V HN 0.933 nan 8.190 nan 0.000 0.452 199 S N 0.900 116.645 115.700 0.076 0.000 2.564 199 S HA 0.513 4.983 4.470 -0.000 0.000 0.278 199 S C 1.290 175.988 174.600 0.164 0.000 1.333 199 S CA 0.014 58.278 58.200 0.107 0.000 1.048 199 S CB 1.040 64.311 63.200 0.118 0.000 0.900 199 S HN 1.824 nan 8.310 nan 0.000 0.505 200 A N 3.323 126.198 122.820 0.091 0.000 1.948 200 A HA -0.092 4.228 4.320 -0.000 0.000 0.220 200 A C 2.218 179.835 177.584 0.054 0.000 1.177 200 A CA 2.212 54.258 52.037 0.015 0.000 0.636 200 A CB -1.752 17.299 19.000 0.084 0.000 0.815 200 A HN 0.887 nan 8.150 nan 0.000 0.449 201 T N -1.221 113.444 114.554 0.186 0.000 2.777 201 T HA -0.093 4.256 4.350 -0.000 0.000 0.266 201 T C 1.618 176.459 174.700 0.235 0.000 1.040 201 T CA 1.423 63.653 62.100 0.218 0.000 1.141 201 T CB -0.372 68.607 68.868 0.185 0.000 0.868 201 T HN 0.461 nan 8.240 nan 0.000 0.444 202 F N 0.736 120.777 119.950 0.151 0.000 2.102 202 F HA -0.043 4.484 4.527 -0.000 0.000 0.298 202 F C 2.280 178.275 175.800 0.326 0.000 1.105 202 F CA 1.186 59.316 58.000 0.216 0.000 1.239 202 F CB -0.290 38.843 39.000 0.221 0.000 0.991 202 F HN 0.284 nan 8.300 nan 0.000 0.474 203 W N 0.690 122.131 121.300 0.235 0.000 2.363 203 W HA -0.243 4.416 4.660 -0.000 0.000 0.296 203 W C 1.629 178.132 176.519 -0.027 0.000 1.212 203 W CA 2.039 59.385 57.345 0.002 0.000 1.260 203 W CB -0.708 28.605 29.460 -0.246 0.000 1.131 203 W HN 0.188 nan 8.180 nan 0.000 0.530 204 H N -0.333 118.704 119.070 -0.055 0.000 2.556 204 H HA -0.025 4.530 4.556 -0.000 0.000 0.268 204 H C 0.445 175.679 175.328 -0.156 0.000 0.996 204 H CA -0.046 55.893 56.048 -0.182 0.000 1.157 204 H CB -0.170 29.571 29.762 -0.035 0.000 1.355 204 H HN -0.129 nan 8.280 nan 0.000 0.597 205 N N 2.345 121.021 118.700 -0.040 0.000 2.439 205 N HA -0.001 4.739 4.740 -0.000 0.000 0.243 205 N C -1.777 173.681 175.510 -0.088 0.000 1.088 205 N CA -2.214 50.791 53.050 -0.075 0.000 0.940 205 N CB 0.953 39.350 38.487 -0.150 0.000 1.180 205 N HN 0.152 nan 8.380 nan 0.000 0.505 206 P HA -0.112 nan 4.420 nan 0.000 0.229 206 P C 0.391 177.698 177.300 0.011 0.000 1.150 206 P CA 0.888 63.956 63.100 -0.053 0.000 0.765 206 P CB 0.369 32.011 31.700 -0.096 0.000 0.783 207 R N -1.263 119.252 120.500 0.026 0.000 2.280 207 R HA 0.123 4.463 4.340 -0.000 0.000 0.195 207 R C 0.421 176.913 176.300 0.319 0.000 0.935 207 R CA -0.089 56.068 56.100 0.094 0.000 1.033 207 R CB -0.139 30.172 30.300 0.018 0.000 0.964 207 R HN 0.203 nan 8.270 nan 0.000 0.489 208 N N 1.560 120.356 118.700 0.159 0.000 2.514 208 N HA -0.000 4.739 4.740 -0.000 0.000 0.277 208 N C -0.851 174.721 175.510 0.103 0.000 1.126 208 N CA 0.210 53.232 53.050 -0.046 0.000 0.978 208 N CB 0.786 38.867 38.487 -0.677 0.000 1.106 208 N HN 0.114 nan 8.380 nan 0.000 0.461 209 H N 2.879 121.696 119.070 -0.422 0.000 2.511 209 H HA 0.339 4.894 4.556 -0.000 0.000 0.328 209 H C -1.101 173.961 175.328 -0.443 0.000 1.044 209 H CA -0.449 55.117 56.048 -0.805 0.000 1.212 209 H CB 0.245 29.225 29.762 -1.303 0.000 1.428 209 H HN 0.281 nan 8.280 nan 0.000 0.483 210 F N 3.624 123.350 119.950 -0.374 0.000 2.470 210 F HA 0.540 5.067 4.527 -0.000 0.000 0.329 210 F C 0.603 176.375 175.800 -0.047 0.000 1.072 210 F CA -0.799 57.223 58.000 0.037 0.000 0.989 210 F CB 1.399 40.532 39.000 0.221 0.000 1.193 210 F HN 0.463 nan 8.300 nan 0.000 0.481 211 R N 1.037 121.787 120.500 0.416 0.000 2.566 211 R HA 0.607 4.947 4.340 -0.000 0.000 0.271 211 R C -2.222 174.173 176.300 0.159 0.000 1.071 211 R CA -0.504 55.742 56.100 0.243 0.000 0.915 211 R CB 1.565 32.009 30.300 0.239 0.000 1.228 211 R HN 0.881 nan 8.270 nan 0.000 0.449 212 c N 4.697 123.196 118.600 -0.169 0.000 2.291 212 c HA 0.462 5.032 4.570 -0.000 0.000 0.322 212 c C -0.547 173.352 174.090 -0.319 0.000 1.205 212 c CA -0.296 55.694 56.329 -0.566 0.000 1.495 212 c CB 0.850 42.799 42.510 -0.935 0.000 2.127 212 c HN 0.855 nan 8.230 nan 0.000 0.452 213 Q N 3.497 123.173 119.800 -0.207 0.000 2.243 213 Q HA 0.617 4.957 4.340 -0.000 0.000 0.252 213 Q C -0.891 175.020 176.000 -0.148 0.000 0.909 213 Q CA -0.350 55.355 55.803 -0.164 0.000 0.922 213 Q CB 2.130 30.784 28.738 -0.139 0.000 1.215 213 Q HN 0.638 nan 8.270 nan 0.000 0.427 214 V N 3.079 122.904 119.914 -0.148 0.000 2.482 214 V HA 0.151 4.271 4.120 -0.000 0.000 0.295 214 V C -0.509 175.506 176.094 -0.131 0.000 1.026 214 V CA -0.797 61.418 62.300 -0.142 0.000 0.856 214 V CB 1.749 33.473 31.823 -0.165 0.000 1.001 214 V HN 0.681 nan 8.190 nan 0.000 0.424 215 Q N 3.887 123.611 119.800 -0.126 0.000 2.377 215 Q HA 0.373 4.713 4.340 -0.000 0.000 0.249 215 Q C -1.204 174.642 176.000 -0.256 0.000 1.005 215 Q CA -0.251 55.439 55.803 -0.189 0.000 0.912 215 Q CB 1.459 30.107 28.738 -0.150 0.000 1.223 215 Q HN 0.663 nan 8.270 nan 0.000 0.459 216 F N 4.506 124.209 119.950 -0.411 0.000 2.427 216 F HA 0.306 4.833 4.527 -0.000 0.000 0.346 216 F C -0.549 175.003 175.800 -0.412 0.000 1.120 216 F CA -0.649 57.132 58.000 -0.365 0.000 1.033 216 F CB 0.785 39.628 39.000 -0.262 0.000 1.126 216 F HN 0.408 nan 8.300 nan 0.000 0.462 217 H N 5.083 123.718 119.070 -0.726 0.000 2.504 217 H HA 0.474 5.030 4.556 -0.000 0.000 0.322 217 H C 0.197 175.006 175.328 -0.864 0.000 1.055 217 H CA -0.104 55.622 56.048 -0.536 0.000 1.231 217 H CB 1.387 31.025 29.762 -0.207 0.000 1.417 217 H HN 0.907 nan 8.280 nan 0.000 0.472 218 G N 2.486 111.030 108.800 -0.428 0.000 3.364 218 G HA2 0.276 4.236 3.960 -0.000 0.000 0.191 218 G HA3 0.276 4.236 3.960 -0.000 0.000 0.191 218 G C -0.620 174.219 174.900 -0.102 0.000 1.352 218 G CA -0.338 44.584 45.100 -0.296 0.000 0.758 218 G HN 0.289 nan 8.290 nan 0.000 0.730 219 L N 1.372 122.568 121.223 -0.045 0.000 2.399 219 L HA 0.612 4.952 4.340 -0.000 0.000 0.266 219 L C 0.930 177.787 176.870 -0.022 0.000 1.114 219 L CA -0.545 54.286 54.840 -0.015 0.000 0.804 219 L CB 1.337 43.391 42.059 -0.009 0.000 1.146 219 L HN 0.668 nan 8.230 nan 0.000 0.451 220 S N 0.168 115.870 115.700 0.003 0.000 2.841 220 S HA 0.680 5.150 4.470 -0.000 0.000 0.318 220 S C 0.860 175.470 174.600 0.016 0.000 1.127 220 S CA 0.057 58.259 58.200 0.003 0.000 0.883 220 S CB 0.940 64.145 63.200 0.009 0.000 1.271 220 S HN 0.528 nan 8.310 nan 0.000 0.567 221 E N -0.416 119.792 120.200 0.015 0.000 2.204 221 E HA 0.045 4.395 4.350 -0.000 0.000 0.194 221 E C 2.021 178.641 176.600 0.033 0.000 0.989 221 E CA 1.722 58.136 56.400 0.024 0.000 0.824 221 E CB -1.790 27.920 29.700 0.016 0.000 0.756 221 E HN 0.927 nan 8.360 nan 0.000 0.477 222 E N 1.211 121.427 120.200 0.027 0.000 2.285 222 E HA -0.031 4.319 4.350 -0.000 0.000 0.194 222 E C 0.901 177.525 176.600 0.039 0.000 0.997 222 E CA 0.502 56.917 56.400 0.026 0.000 0.845 222 E CB -0.276 29.432 29.700 0.013 0.000 0.782 222 E HN 0.634 nan 8.360 nan 0.000 0.491 223 D N 0.414 120.847 120.400 0.054 0.000 2.351 223 D HA 0.188 4.827 4.640 -0.000 0.000 0.251 223 D C -0.256 176.116 176.300 0.120 0.000 1.137 223 D CA -0.123 53.926 54.000 0.082 0.000 0.879 223 D CB 1.498 42.355 40.800 0.094 0.000 1.181 223 D HN 0.042 nan 8.370 nan 0.000 0.448 224 K N 3.837 124.301 120.400 0.105 0.000 2.110 224 K HA -0.002 4.318 4.320 -0.000 0.000 0.260 224 K C -0.503 176.194 176.600 0.161 0.000 1.126 224 K CA -0.466 55.883 56.287 0.103 0.000 1.005 224 K CB -0.150 32.379 32.500 0.048 0.000 1.336 224 K HN 0.381 nan 8.250 nan 0.000 0.369 225 W N 6.715 128.023 121.300 0.014 0.000 2.356 225 W HA 0.247 4.906 4.660 -0.000 0.000 0.311 225 W C -2.319 174.209 176.519 0.015 0.000 1.328 225 W CA -2.355 55.001 57.345 0.018 0.000 1.251 225 W CB 0.798 30.270 29.460 0.021 0.000 1.280 225 W HN 0.422 nan 8.180 nan 0.000 0.524 226 P HA -0.030 nan 4.420 nan 0.000 0.269 226 P C 0.414 177.087 177.300 -1.044 0.000 1.252 226 P CA 0.539 63.229 63.100 -0.682 0.000 0.780 226 P CB 0.602 31.924 31.700 -0.630 0.000 0.829 227 E N 3.085 123.006 120.200 -0.465 0.000 4.116 227 E HA -0.187 4.163 4.350 -0.000 0.000 0.539 227 E C 1.498 178.005 176.600 -0.155 0.000 1.515 227 E CA 1.328 57.615 56.400 -0.188 0.000 3.389 227 E CB -0.328 29.343 29.700 -0.047 0.000 0.871 227 E HN 0.548 nan 8.360 nan 0.000 0.411 228 G N -0.407 108.399 108.800 0.010 0.000 4.230 228 G HA2 -0.395 3.565 3.960 -0.000 0.000 0.340 228 G HA3 -0.395 3.565 3.960 -0.000 0.000 0.340 228 G C 0.362 175.349 174.900 0.144 0.000 1.315 228 G CA 0.717 45.840 45.100 0.038 0.000 1.033 228 G HN 0.650 nan 8.290 nan 0.000 0.741 229 S N 4.601 120.395 115.700 0.158 0.000 2.576 229 S HA 0.441 4.911 4.470 -0.000 0.000 0.272 229 S C -1.779 173.164 174.600 0.572 0.000 1.352 229 S CA 0.088 58.482 58.200 0.323 0.000 1.021 229 S CB 1.162 64.567 63.200 0.342 0.000 0.887 229 S HN 0.714 nan 8.310 nan 0.000 0.542 230 P HA 0.033 nan 4.420 nan 0.000 0.267 230 P C -0.633 176.562 177.300 -0.176 0.000 1.205 230 P CA -0.259 62.919 63.100 0.130 0.000 0.765 230 P CB 0.425 32.150 31.700 0.042 0.000 0.828 231 K N 5.150 125.198 120.400 -0.587 0.000 2.378 231 K HA 0.129 4.449 4.320 -0.000 0.000 0.288 231 K C -2.093 174.024 176.600 -0.804 0.000 1.057 231 K CA -1.679 53.685 56.287 -1.538 0.000 0.971 231 K CB -0.110 31.697 32.500 -1.155 0.000 0.975 231 K HN 0.260 nan 8.250 nan 0.000 0.475 232 P HA -0.041 nan 4.420 nan 0.000 0.245 232 P C -0.148 177.046 177.300 -0.175 0.000 1.670 232 P CA 0.126 63.047 63.100 -0.299 0.000 1.146 232 P CB 0.117 31.722 31.700 -0.159 0.000 1.954 233 V N 2.559 122.369 119.914 -0.173 0.000 3.063 233 V HA 0.094 4.214 4.120 -0.000 0.000 0.379 233 V C 0.419 176.488 176.094 -0.040 0.000 1.310 233 V CA 0.172 62.411 62.300 -0.101 0.000 1.333 233 V CB -0.777 30.972 31.823 -0.124 0.000 1.331 233 V HN 0.271 nan 8.190 nan 0.000 0.527 234 T N 0.860 115.420 114.554 0.011 0.000 2.766 234 T HA 0.313 4.663 4.350 -0.000 0.000 0.295 234 T C 0.242 174.967 174.700 0.043 0.000 1.024 234 T CA 0.077 62.192 62.100 0.025 0.000 1.018 234 T CB 1.754 70.638 68.868 0.027 0.000 1.002 234 T HN 0.626 nan 8.240 nan 0.000 0.532 235 Q N -0.116 119.684 119.800 -0.000 0.000 2.209 235 Q HA 0.281 4.621 4.340 -0.000 0.000 0.201 235 Q C -0.154 175.802 176.000 -0.074 0.000 0.732 235 Q CA -0.655 55.121 55.803 -0.046 0.000 0.555 235 Q CB 0.509 29.213 28.738 -0.058 0.000 2.685 235 Q HN 0.565 nan 8.270 nan 0.000 0.224 236 N N 1.577 120.222 118.700 -0.092 0.000 2.439 236 N HA 0.315 5.055 4.740 -0.000 0.000 0.249 236 N C -1.173 174.269 175.510 -0.113 0.000 1.003 236 N CA 0.080 53.063 53.050 -0.112 0.000 0.942 236 N CB 0.510 38.919 38.487 -0.129 0.000 1.115 236 N HN 0.253 nan 8.380 nan 0.000 0.505 237 I N 1.673 122.173 120.570 -0.116 0.000 2.488 237 I HA 0.216 4.386 4.170 -0.000 0.000 0.299 237 I C 0.101 176.138 176.117 -0.133 0.000 0.984 237 I CA -0.400 60.831 61.300 -0.115 0.000 1.250 237 I CB 1.715 39.647 38.000 -0.113 0.000 1.389 237 I HN 0.374 nan 8.210 nan 0.000 0.488 238 S N 3.446 119.074 115.700 -0.121 0.000 2.541 238 S HA 0.722 5.192 4.470 -0.000 0.000 0.280 238 S C -0.729 173.808 174.600 -0.106 0.000 1.112 238 S CA -0.658 57.465 58.200 -0.128 0.000 0.925 238 S CB 2.026 65.150 63.200 -0.126 0.000 1.067 238 S HN 0.691 nan 8.310 nan 0.000 0.479 239 A N 2.650 125.397 122.820 -0.122 0.000 2.293 239 A HA 0.686 5.006 4.320 -0.000 0.000 0.312 239 A C -0.482 177.062 177.584 -0.067 0.000 1.309 239 A CA -0.652 51.320 52.037 -0.108 0.000 0.839 239 A CB 0.349 19.253 19.000 -0.159 0.000 1.155 239 A HN 0.761 nan 8.150 nan 0.000 0.501 240 E N 0.942 121.112 120.200 -0.050 0.000 2.227 240 E HA 0.774 5.124 4.350 -0.000 0.000 0.268 240 E C -0.332 176.193 176.600 -0.125 0.000 0.907 240 E CA -0.688 55.649 56.400 -0.105 0.000 0.786 240 E CB 2.310 31.965 29.700 -0.074 0.000 1.191 240 E HN 0.857 nan 8.360 nan 0.000 0.411 241 A N 1.679 124.360 122.820 -0.231 0.000 2.609 241 A HA 0.660 4.979 4.320 -0.000 0.000 0.291 241 A C -2.044 175.446 177.584 -0.156 0.000 1.096 241 A CA -0.795 51.208 52.037 -0.058 0.000 0.684 241 A CB 0.800 19.900 19.000 0.166 0.000 1.282 241 A HN 0.607 nan 8.150 nan 0.000 0.412 242 W N -0.256 121.066 121.300 0.038 0.000 2.804 242 W HA 0.590 5.250 4.660 -0.000 0.000 0.352 242 W C 0.843 177.228 176.519 -0.223 0.000 1.153 242 W CA -0.019 57.343 57.345 0.028 0.000 1.119 242 W CB 1.314 30.765 29.460 -0.014 0.000 1.448 242 W HN 1.045 nan 8.180 nan 0.000 0.600 243 G N 0.346 109.194 108.800 0.079 0.000 2.442 243 G HA2 0.511 4.471 3.960 -0.000 0.000 0.249 243 G HA3 0.511 4.471 3.960 -0.000 0.000 0.249 243 G C -0.550 174.079 174.900 -0.451 0.000 1.263 243 G CA -0.455 44.386 45.100 -0.432 0.000 0.846 243 G HN 0.647 nan 8.290 nan 0.000 0.555 244 R N 0.340 120.406 120.500 -0.723 0.000 2.668 244 R HA 0.881 5.221 4.340 -0.000 0.000 0.279 244 R C 0.694 176.892 176.300 -0.170 0.000 0.976 244 R CA -0.084 55.808 56.100 -0.346 0.000 0.978 244 R CB 0.483 30.620 30.300 -0.271 0.000 1.133 244 R HN 1.863 nan 8.270 nan 0.000 0.484 245 A N 0.782 123.530 122.820 -0.120 0.000 2.609 245 A HA 0.413 4.733 4.320 -0.000 0.000 0.235 245 A C 0.962 178.381 177.584 -0.275 0.000 1.092 245 A CA 0.628 52.586 52.037 -0.130 0.000 0.780 245 A CB -0.988 17.948 19.000 -0.106 0.000 1.031 245 A HN 1.525 nan 8.150 nan 0.000 0.515 250 L N 0.000 121.295 121.223 0.121 0.000 2.949 250 L HA 0.000 4.340 4.340 -0.000 0.000 0.249 250 L CA 0.000 54.941 54.840 0.167 0.000 0.813 250 L CB 0.000 42.185 42.059 0.210 0.000 0.961 250 L HN 0.000 nan 8.230 nan 0.000 0.502