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 1ket_1_A DATA FIRST_RESID 3 DATA SEQUENCE QFKNIIVTGG AGFIGSNFVH YVYNNHPDVH VTVLDKLTYA GNKANLEAIL DATA SEQUENCE GDRVELVVGD IADAELVDKL AAKADAIVHY AAESHNDNSL NDPSPFIHTN DATA SEQUENCE FIGTYTLLEA ARKYDIRFHH VSTDEVYGDL PLREDLPGHG EGPGEKFTAE DATA SEQUENCE TNYNPSSPYS STKAASDLIV KAWVRSFGVK ATISNCSNNY GPYQHIEKFI DATA SEQUENCE PRQITNILAG IKPKLYGEGK NVRDWIHTND HSTGVWAILT KGRMGETYLI DATA SEQUENCE GADGEKNNKE VLELILEKMG QPKDAYDHVT DRAGHDLRYA IDASKLRDEL DATA SEQUENCE GWTPQFTDFS EGLEETIQWY TDNQDWWKAE KEAVEANYAK TQEVIK 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 Q HA 0.000 nan 4.340 nan 0.000 0.214 3 Q C 0.000 175.528 176.000 -0.787 0.000 1.003 3 Q CA 0.000 55.546 55.803 -0.429 0.000 1.022 3 Q CB 0.000 28.413 28.738 -0.541 0.000 1.108 4 F N 0.585 120.546 119.950 0.018 0.000 2.578 4 F HA 0.570 5.097 4.527 -0.000 0.000 0.311 4 F C 0.778 176.630 175.800 0.087 0.000 1.094 4 F CA -0.792 57.230 58.000 0.036 0.000 0.923 4 F CB 1.856 40.859 39.000 0.006 0.000 1.230 4 F HN -0.234 nan 8.300 nan 0.000 0.450 5 K N 0.617 121.162 120.400 0.242 0.000 2.391 5 K HA 0.257 4.577 4.320 -0.000 0.000 0.197 5 K C -0.384 176.338 176.600 0.203 0.000 1.087 5 K CA 0.333 56.733 56.287 0.187 0.000 1.012 5 K CB 0.491 33.061 32.500 0.117 0.000 0.925 5 K HN 0.474 nan 8.250 nan 0.000 0.547 6 N N 1.576 120.401 118.700 0.210 0.000 2.648 6 N HA 0.222 4.962 4.740 -0.000 0.000 0.261 6 N C -0.662 174.946 175.510 0.163 0.000 1.138 6 N CA -0.223 52.951 53.050 0.207 0.000 0.804 6 N CB 1.678 40.265 38.487 0.167 0.000 1.237 6 N HN 0.131 nan 8.380 nan 0.000 0.532 7 I N -1.362 119.295 120.570 0.144 0.000 2.607 7 I HA 0.640 4.810 4.170 -0.000 0.000 0.305 7 I C -0.468 175.686 176.117 0.062 0.000 0.995 7 I CA -0.833 60.521 61.300 0.090 0.000 1.148 7 I CB 1.515 39.584 38.000 0.115 0.000 1.323 7 I HN 0.081 nan 8.210 nan 0.000 0.461 8 I N 5.345 125.940 120.570 0.041 0.000 2.377 8 I HA 0.365 4.535 4.170 -0.000 0.000 0.293 8 I C -0.672 175.482 176.117 0.063 0.000 0.987 8 I CA -0.897 60.425 61.300 0.037 0.000 1.185 8 I CB 1.958 39.970 38.000 0.021 0.000 1.341 8 I HN 0.360 nan 8.210 nan 0.000 0.455 9 V N 4.994 124.961 119.914 0.088 0.000 2.326 9 V HA 0.226 4.346 4.120 -0.000 0.000 0.281 9 V C 0.382 176.551 176.094 0.123 0.000 1.015 9 V CA -0.634 61.756 62.300 0.149 0.000 0.823 9 V CB 1.516 33.471 31.823 0.220 0.000 1.009 9 V HN 0.856 nan 8.190 nan 0.000 0.436 10 T N 1.215 115.857 114.554 0.147 0.000 2.913 10 T HA 0.517 4.867 4.350 -0.000 0.000 0.297 10 T C 1.185 175.977 174.700 0.153 0.000 1.029 10 T CA 0.492 62.682 62.100 0.150 0.000 1.104 10 T CB 1.370 70.378 68.868 0.234 0.000 0.964 10 T HN 1.807 nan 8.240 nan 0.000 0.532 11 G N 1.456 110.312 108.800 0.094 0.000 2.179 11 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.257 11 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.257 11 G C 0.970 175.868 174.900 -0.003 0.000 1.010 11 G CA 0.253 45.384 45.100 0.052 0.000 0.736 11 G HN 1.489 nan 8.290 nan 0.000 0.513 12 G N -0.428 108.370 108.800 -0.003 0.000 2.708 12 G HA2 0.343 4.303 3.960 -0.000 0.000 0.210 12 G HA3 0.343 4.303 3.960 -0.000 0.000 0.210 12 G C 1.349 176.220 174.900 -0.049 0.000 1.141 12 G CA 1.476 46.545 45.100 -0.052 0.000 0.788 12 G HN 1.574 nan 8.290 nan 0.000 0.531 13 A N -0.193 122.615 122.820 -0.019 0.000 2.387 13 A HA 0.641 4.961 4.320 -0.000 0.000 0.234 13 A C 1.373 178.979 177.584 0.036 0.000 1.253 13 A CA 0.565 52.606 52.037 0.006 0.000 0.894 13 A CB 0.112 19.122 19.000 0.016 0.000 0.963 13 A HN 0.440 nan 8.150 nan 0.000 0.508 14 G N -1.727 107.082 108.800 0.015 0.000 2.583 14 G HA2 0.392 4.352 3.960 -0.000 0.000 0.280 14 G HA3 0.392 4.352 3.960 -0.000 0.000 0.280 14 G C 0.612 175.593 174.900 0.135 0.000 1.376 14 G CA -0.120 45.025 45.100 0.076 0.000 1.043 14 G HN 0.118 nan 8.290 nan 0.000 0.538 15 F N 0.041 120.018 119.950 0.045 0.000 2.000 15 F HA -0.007 4.520 4.527 -0.000 0.000 0.295 15 F C 2.472 178.232 175.800 -0.066 0.000 1.159 15 F CA 1.462 59.490 58.000 0.047 0.000 1.171 15 F CB -0.607 38.462 39.000 0.115 0.000 0.971 15 F HN 0.194 nan 8.300 nan 0.000 0.479 16 I N 0.364 120.579 120.570 -0.591 0.000 2.315 16 I HA -0.166 4.004 4.170 -0.000 0.000 0.248 16 I C 2.692 178.394 176.117 -0.691 0.000 1.117 16 I CA 1.293 62.143 61.300 -0.750 0.000 1.404 16 I CB -1.398 36.347 38.000 -0.426 0.000 1.071 16 I HN 0.377 nan 8.210 nan 0.000 0.419 17 G N 0.839 109.215 108.800 -0.706 0.000 2.402 17 G HA2 -0.269 3.691 3.960 -0.000 0.000 0.216 17 G HA3 -0.269 3.691 3.960 -0.000 0.000 0.216 17 G C 1.829 176.480 174.900 -0.414 0.000 1.162 17 G CA 1.048 45.592 45.100 -0.927 0.000 0.777 17 G HN 0.499 nan 8.290 nan 0.000 0.539 18 S N 0.835 116.383 115.700 -0.254 0.000 2.399 18 S HA -0.123 4.347 4.470 -0.000 0.000 0.231 18 S C 2.046 176.570 174.600 -0.127 0.000 1.022 18 S CA 1.588 59.700 58.200 -0.147 0.000 0.983 18 S CB -0.480 62.615 63.200 -0.174 0.000 0.803 18 S HN 0.354 nan 8.310 nan 0.000 0.480 19 N N 0.655 119.201 118.700 -0.256 0.000 2.166 19 N HA 0.019 4.759 4.740 -0.000 0.000 0.186 19 N C 1.293 176.781 175.510 -0.036 0.000 1.019 19 N CA 1.235 54.154 53.050 -0.218 0.000 0.856 19 N CB -0.482 37.834 38.487 -0.286 0.000 0.993 19 N HN 0.498 nan 8.380 nan 0.000 0.426 20 F N 0.388 120.199 119.950 -0.233 0.000 2.146 20 F HA -0.069 4.458 4.527 -0.000 0.000 0.298 20 F C 1.919 177.748 175.800 0.049 0.000 1.096 20 F CA 0.852 58.796 58.000 -0.094 0.000 1.275 20 F CB -0.435 38.424 39.000 -0.236 0.000 1.008 20 F HN -0.156 nan 8.300 nan 0.000 0.480 21 V N 0.083 119.984 119.914 -0.021 0.000 2.343 21 V HA -0.340 3.780 4.120 -0.000 0.000 0.247 21 V C 2.288 178.310 176.094 -0.120 0.000 1.051 21 V CA 2.431 64.672 62.300 -0.098 0.000 1.036 21 V CB -1.034 30.748 31.823 -0.068 0.000 0.654 21 V HN 0.359 nan 8.190 nan 0.000 0.451 22 H N -1.564 117.414 119.070 -0.152 0.000 2.353 22 H HA -0.177 4.379 4.556 -0.000 0.000 0.300 22 H C 2.013 177.304 175.328 -0.061 0.000 1.090 22 H CA 2.174 58.159 56.048 -0.105 0.000 1.327 22 H CB -0.466 29.226 29.762 -0.118 0.000 1.383 22 H HN 0.569 nan 8.280 nan 0.000 0.508 23 Y N 0.780 121.032 120.300 -0.080 0.000 2.128 23 Y HA -0.255 4.295 4.550 -0.000 0.000 0.284 23 Y C 2.243 177.983 175.900 -0.267 0.000 1.154 23 Y CA 1.457 59.456 58.100 -0.168 0.000 1.149 23 Y CB -0.592 37.747 38.460 -0.202 0.000 0.976 23 Y HN -0.004 nan 8.280 nan 0.000 0.505 24 V N -0.199 119.446 119.914 -0.448 0.000 2.358 24 V HA -0.299 3.821 4.120 -0.000 0.000 0.246 24 V C 2.108 178.024 176.094 -0.298 0.000 1.047 24 V CA 2.131 64.152 62.300 -0.466 0.000 1.035 24 V CB -1.247 30.369 31.823 -0.344 0.000 0.658 24 V HN 0.615 nan 8.190 nan 0.000 0.452 25 Y N 2.023 122.132 120.300 -0.318 0.000 2.207 25 Y HA -0.295 4.255 4.550 -0.000 0.000 0.287 25 Y C 2.462 178.207 175.900 -0.258 0.000 1.156 25 Y CA 2.355 60.304 58.100 -0.252 0.000 1.182 25 Y CB -0.246 38.057 38.460 -0.261 0.000 0.979 25 Y HN 0.417 nan 8.280 nan 0.000 0.521 26 N N -0.369 118.191 118.700 -0.234 0.000 2.305 26 N HA -0.121 4.619 4.740 -0.000 0.000 0.179 26 N C 1.049 176.291 175.510 -0.446 0.000 1.019 26 N CA 1.707 54.568 53.050 -0.315 0.000 0.869 26 N CB -0.293 38.102 38.487 -0.152 0.000 1.000 26 N HN 0.360 nan 8.380 nan 0.000 0.431 27 N N -0.917 117.382 118.700 -0.668 0.000 2.325 27 N HA 0.007 4.747 4.740 -0.000 0.000 0.182 27 N C -0.447 174.390 175.510 -1.121 0.000 1.088 27 N CA 0.406 52.914 53.050 -0.902 0.000 0.879 27 N CB 0.329 38.083 38.487 -1.222 0.000 0.983 27 N HN 0.379 nan 8.380 nan 0.000 0.471 28 H N 0.324 119.091 119.070 -0.505 0.000 2.439 28 H HA 0.190 4.746 4.556 -0.000 0.000 0.228 28 H C -1.779 173.410 175.328 -0.232 0.000 1.423 28 H CA -1.095 54.745 56.048 -0.347 0.000 1.386 28 H CB 1.376 30.871 29.762 -0.444 0.000 1.641 28 H HN 0.089 nan 8.280 nan 0.000 0.508 29 P HA -0.127 nan 4.420 nan 0.000 0.231 29 P C 0.854 178.122 177.300 -0.054 0.000 1.158 29 P CA 0.974 63.981 63.100 -0.155 0.000 0.763 29 P CB 0.334 31.909 31.700 -0.208 0.000 0.805 30 D N -0.658 119.743 120.400 0.001 0.000 2.349 30 D HA 0.007 4.647 4.640 -0.000 0.000 0.215 30 D C 0.453 176.805 176.300 0.088 0.000 1.016 30 D CA 0.047 54.071 54.000 0.040 0.000 0.870 30 D CB -0.145 40.686 40.800 0.051 0.000 0.917 30 D HN 0.026 nan 8.370 nan 0.000 0.524 31 V N 1.339 121.317 119.914 0.107 0.000 2.481 31 V HA 0.144 4.264 4.120 -0.000 0.000 0.286 31 V C 0.048 176.241 176.094 0.164 0.000 1.042 31 V CA -0.863 61.532 62.300 0.158 0.000 0.928 31 V CB 1.561 33.503 31.823 0.197 0.000 0.986 31 V HN 0.289 nan 8.190 nan 0.000 0.462 32 H N 3.755 122.874 119.070 0.082 0.000 2.473 32 H HA 0.620 5.176 4.556 -0.000 0.000 0.327 32 H C -1.470 173.905 175.328 0.077 0.000 1.105 32 H CA -0.502 55.585 56.048 0.065 0.000 1.280 32 H CB 1.913 31.706 29.762 0.052 0.000 1.450 32 H HN 0.436 nan 8.280 nan 0.000 0.492 33 V N 4.918 124.567 119.914 -0.443 0.000 2.448 33 V HA 0.179 4.299 4.120 -0.000 0.000 0.295 33 V C -0.008 175.815 176.094 -0.451 0.000 1.025 33 V CA -0.646 61.474 62.300 -0.300 0.000 0.859 33 V CB 1.805 33.553 31.823 -0.124 0.000 0.988 33 V HN 0.838 nan 8.190 nan 0.000 0.431 34 T N 4.392 118.812 114.554 -0.222 0.000 2.788 34 T HA 0.437 4.787 4.350 -0.000 0.000 0.296 34 T C -0.234 174.441 174.700 -0.041 0.000 1.009 34 T CA -0.270 61.758 62.100 -0.121 0.000 0.949 34 T CB 1.253 70.113 68.868 -0.014 0.000 0.946 34 T HN 0.336 nan 8.240 nan 0.000 0.453 35 V N 4.932 124.824 119.914 -0.038 0.000 2.498 35 V HA 0.387 4.507 4.120 -0.000 0.000 0.279 35 V C -0.133 175.966 176.094 0.009 0.000 1.048 35 V CA -0.719 61.578 62.300 -0.005 0.000 0.967 35 V CB 1.217 33.029 31.823 -0.018 0.000 0.988 35 V HN 0.622 nan 8.190 nan 0.000 0.473 36 L N 5.677 126.916 121.223 0.026 0.000 2.316 36 L HA 0.673 5.013 4.340 -0.000 0.000 0.280 36 L C -0.748 176.143 176.870 0.035 0.000 1.006 36 L CA 0.418 55.276 54.840 0.028 0.000 0.836 36 L CB 1.124 43.202 42.059 0.031 0.000 1.221 36 L HN 0.723 nan 8.230 nan 0.000 0.418 37 D N 3.311 123.727 120.400 0.026 0.000 2.934 37 D HA 0.164 4.804 4.640 -0.000 0.000 0.230 37 D C -0.171 176.142 176.300 0.022 0.000 1.204 37 D CA -0.307 53.708 54.000 0.024 0.000 0.873 37 D CB 2.422 43.231 40.800 0.014 0.000 1.645 37 D HN 0.642 nan 8.370 nan 0.000 0.502 38 K N 2.975 123.388 120.400 0.023 0.000 2.418 38 K HA 0.140 4.460 4.320 -0.000 0.000 0.195 38 K C 0.495 177.103 176.600 0.014 0.000 1.035 38 K CA 0.181 56.483 56.287 0.025 0.000 1.003 38 K CB -0.026 32.497 32.500 0.038 0.000 0.793 38 K HN 0.573 nan 8.250 nan 0.000 0.494 39 L N 2.365 123.588 121.223 0.000 0.000 3.664 39 L HA -0.238 4.102 4.340 -0.000 0.000 0.560 39 L C 0.431 177.293 176.870 -0.012 0.000 1.285 39 L CA 0.317 55.154 54.840 -0.007 0.000 0.864 39 L CB -2.564 39.500 42.059 0.008 0.000 1.512 39 L HN 0.449 nan 8.230 nan 0.000 0.853 40 T N -2.957 111.568 114.554 -0.048 0.000 2.801 40 T HA 0.217 4.567 4.350 -0.000 0.000 0.324 40 T C 1.282 175.939 174.700 -0.072 0.000 1.088 40 T CA 0.384 62.461 62.100 -0.038 0.000 0.975 40 T CB 0.247 69.069 68.868 -0.077 0.000 1.316 40 T HN 0.389 nan 8.240 nan 0.000 0.533 41 Y N -0.292 120.003 120.300 -0.007 0.000 2.315 41 Y HA 0.134 4.684 4.550 -0.000 0.000 0.288 41 Y C 2.300 178.209 175.900 0.016 0.000 1.154 41 Y CA 0.718 58.820 58.100 0.003 0.000 1.229 41 Y CB -1.073 37.373 38.460 -0.024 0.000 0.980 41 Y HN 0.575 nan 8.280 nan 0.000 0.540 42 A N 1.005 123.210 122.820 -1.025 0.000 2.195 42 A HA 0.383 4.703 4.320 -0.000 0.000 0.210 42 A C 1.555 179.025 177.584 -0.190 0.000 1.165 42 A CA 0.305 51.935 52.037 -0.678 0.000 0.806 42 A CB -0.879 17.561 19.000 -0.933 0.000 0.847 42 A HN 0.519 nan 8.150 nan 0.000 0.482 43 G N 0.043 108.756 108.800 -0.146 0.000 2.372 43 G HA2 0.436 4.396 3.960 -0.000 0.000 0.283 43 G HA3 0.436 4.396 3.960 -0.000 0.000 0.283 43 G C -0.759 174.150 174.900 0.016 0.000 1.177 43 G CA -0.346 44.734 45.100 -0.034 0.000 0.842 43 G HN 0.144 nan 8.290 nan 0.000 0.503 44 N N 1.092 119.832 118.700 0.066 0.000 2.500 44 N HA 0.149 4.888 4.740 -0.000 0.000 0.291 44 N C 0.884 176.458 175.510 0.108 0.000 1.092 44 N CA -0.641 52.461 53.050 0.086 0.000 0.890 44 N CB 1.896 40.465 38.487 0.136 0.000 1.466 44 N HN 0.433 nan 8.380 nan 0.000 0.507 45 K N 1.410 121.855 120.400 0.074 0.000 2.211 45 K HA -0.073 4.247 4.320 -0.000 0.000 0.204 45 K C 1.485 178.151 176.600 0.109 0.000 1.047 45 K CA 1.392 57.720 56.287 0.068 0.000 0.935 45 K CB 0.120 32.647 32.500 0.045 0.000 0.728 45 K HN 0.576 nan 8.250 nan 0.000 0.452 46 A N 1.794 124.716 122.820 0.171 0.000 2.070 46 A HA -0.154 4.166 4.320 -0.000 0.000 0.220 46 A C 1.478 179.268 177.584 0.343 0.000 1.159 46 A CA 1.357 53.553 52.037 0.266 0.000 0.656 46 A CB -0.319 18.894 19.000 0.354 0.000 0.800 46 A HN 0.249 nan 8.150 nan 0.000 0.453 47 N N -0.545 118.342 118.700 0.313 0.000 2.512 47 N HA 0.033 4.773 4.740 -0.000 0.000 0.183 47 N C 1.059 176.585 175.510 0.028 0.000 1.073 47 N CA 0.956 54.068 53.050 0.103 0.000 0.911 47 N CB -0.034 38.486 38.487 0.055 0.000 0.964 47 N HN 0.553 nan 8.380 nan 0.000 0.447 48 L N -0.436 120.819 121.223 0.054 0.000 3.076 48 L HA 0.136 4.476 4.340 -0.000 0.000 0.271 48 L C 1.881 178.712 176.870 -0.067 0.000 1.152 48 L CA -0.022 54.794 54.840 -0.039 0.000 0.996 48 L CB 0.082 42.102 42.059 -0.064 0.000 1.453 48 L HN 0.054 nan 8.230 nan 0.000 0.571 49 E N 2.019 122.224 120.200 0.007 0.000 2.136 49 E HA -0.313 4.037 4.350 -0.000 0.000 0.202 49 E C 1.956 178.538 176.600 -0.031 0.000 1.019 49 E CA 1.860 58.261 56.400 0.001 0.000 0.819 49 E CB -0.300 29.427 29.700 0.045 0.000 0.739 49 E HN 0.412 nan 8.360 nan 0.000 0.458 50 A N 1.492 124.295 122.820 -0.028 0.000 2.119 50 A HA 0.017 4.337 4.320 -0.000 0.000 0.217 50 A C 2.245 179.733 177.584 -0.161 0.000 1.153 50 A CA 1.118 53.126 52.037 -0.049 0.000 0.692 50 A CB -0.658 18.348 19.000 0.009 0.000 0.799 50 A HN 0.575 nan 8.150 nan 0.000 0.458 51 I N -3.650 116.723 120.570 -0.329 0.000 4.025 51 I HA 0.363 4.533 4.170 -0.000 0.000 0.336 51 I C -0.267 175.618 176.117 -0.387 0.000 1.390 51 I CA -0.465 60.457 61.300 -0.631 0.000 1.099 51 I CB 0.010 37.184 38.000 -1.376 0.000 1.049 51 I HN -0.083 nan 8.210 nan 0.000 0.394 52 L N 2.908 124.012 121.223 -0.199 0.000 2.416 52 L HA 0.592 4.931 4.340 -0.000 0.000 0.272 52 L C 0.816 177.669 176.870 -0.029 0.000 1.161 52 L CA 0.677 55.457 54.840 -0.100 0.000 0.845 52 L CB 0.588 42.611 42.059 -0.061 0.000 1.119 52 L HN 0.503 nan 8.230 nan 0.000 0.464 53 G N 1.718 110.527 108.800 0.015 0.000 2.498 53 G HA2 -0.036 3.923 3.960 -0.000 0.000 0.181 53 G HA3 -0.036 3.923 3.960 -0.000 0.000 0.181 53 G C -0.287 174.666 174.900 0.088 0.000 1.169 53 G CA -0.283 44.849 45.100 0.053 0.000 0.992 53 G HN 0.409 nan 8.290 nan 0.000 0.490 54 D N -0.088 120.369 120.400 0.095 0.000 2.219 54 D HA 0.027 4.667 4.640 -0.000 0.000 0.205 54 D C 2.393 178.811 176.300 0.197 0.000 0.970 54 D CA 0.769 54.834 54.000 0.110 0.000 0.851 54 D CB 0.143 40.980 40.800 0.063 0.000 0.943 54 D HN 0.303 nan 8.370 nan 0.000 0.488 55 R N -0.450 120.156 120.500 0.177 0.000 2.173 55 R HA 0.141 4.481 4.340 -0.000 0.000 0.208 55 R C -0.016 176.335 176.300 0.085 0.000 1.035 55 R CA 0.354 56.565 56.100 0.185 0.000 1.004 55 R CB 0.862 31.257 30.300 0.158 0.000 0.917 55 R HN -0.047 nan 8.270 nan 0.000 0.462 56 V N 1.913 121.851 119.914 0.039 0.000 2.638 56 V HA 0.222 4.341 4.120 -0.000 0.000 0.306 56 V C -0.818 175.240 176.094 -0.060 0.000 1.052 56 V CA -0.979 61.266 62.300 -0.092 0.000 0.885 56 V CB 1.790 33.538 31.823 -0.124 0.000 0.999 56 V HN 0.231 nan 8.190 nan 0.000 0.424 57 E N 4.322 124.465 120.200 -0.095 0.000 2.288 57 E HA 0.788 5.138 4.350 -0.000 0.000 0.268 57 E C -1.512 175.068 176.600 -0.034 0.000 0.885 57 E CA -1.054 55.335 56.400 -0.018 0.000 0.767 57 E CB 2.873 32.612 29.700 0.065 0.000 1.220 57 E HN 0.442 nan 8.360 nan 0.000 0.427 58 L N 2.540 123.755 121.223 -0.013 0.000 2.313 58 L HA 0.496 4.836 4.340 -0.000 0.000 0.283 58 L C -1.583 175.291 176.870 0.006 0.000 1.013 58 L CA -0.739 54.095 54.840 -0.009 0.000 0.816 58 L CB 1.818 43.871 42.059 -0.010 0.000 1.236 58 L HN 0.562 nan 8.230 nan 0.000 0.419 59 V N 5.979 125.899 119.914 0.008 0.000 2.378 59 V HA 0.405 4.525 4.120 -0.000 0.000 0.288 59 V C -0.301 175.803 176.094 0.016 0.000 1.016 59 V CA -0.753 61.556 62.300 0.015 0.000 0.840 59 V CB 1.773 33.606 31.823 0.017 0.000 0.994 59 V HN 0.533 nan 8.190 nan 0.000 0.431 60 V N 4.981 124.905 119.914 0.017 0.000 2.408 60 V HA 0.844 4.964 4.120 -0.000 0.000 0.267 60 V C 0.799 176.906 176.094 0.022 0.000 1.047 60 V CA 0.645 62.956 62.300 0.018 0.000 0.937 60 V CB 0.625 32.459 31.823 0.017 0.000 0.999 60 V HN 1.095 nan 8.190 nan 0.000 0.472 61 G N 3.545 112.361 108.800 0.026 0.000 2.451 61 G HA2 0.371 4.331 3.960 -0.000 0.000 0.292 61 G HA3 0.371 4.331 3.960 -0.000 0.000 0.292 61 G C -2.073 172.851 174.900 0.040 0.000 1.427 61 G CA -0.610 44.509 45.100 0.031 0.000 0.792 61 G HN 0.468 nan 8.290 nan 0.000 0.498 62 D N 0.076 120.506 120.400 0.050 0.000 2.177 62 D HA 0.304 4.944 4.640 -0.000 0.000 0.247 62 D C 1.942 178.268 176.300 0.044 0.000 1.063 62 D CA -0.707 53.335 54.000 0.070 0.000 0.867 62 D CB 1.533 42.402 40.800 0.115 0.000 1.168 62 D HN 0.450 nan 8.370 nan 0.000 0.445 63 I N 0.752 121.341 120.570 0.031 0.000 3.083 63 I HA -0.001 4.169 4.170 -0.000 0.000 0.273 63 I C 1.379 177.465 176.117 -0.052 0.000 1.297 63 I CA 0.563 61.857 61.300 -0.011 0.000 1.452 63 I CB -0.084 37.912 38.000 -0.008 0.000 1.078 63 I HN 0.213 nan 8.210 nan 0.000 0.484 64 A N 0.444 123.243 122.820 -0.035 0.000 2.275 64 A HA 0.003 4.323 4.320 -0.000 0.000 0.212 64 A C 0.903 178.494 177.584 0.012 0.000 1.201 64 A CA 0.106 52.109 52.037 -0.056 0.000 0.843 64 A CB -0.327 18.589 19.000 -0.141 0.000 0.873 64 A HN 0.432 nan 8.150 nan 0.000 0.492 65 D N 0.856 121.271 120.400 0.024 0.000 2.435 65 D HA 0.453 5.093 4.640 -0.000 0.000 0.230 65 D C 1.299 177.601 176.300 0.003 0.000 1.215 65 D CA 0.505 54.522 54.000 0.029 0.000 0.947 65 D CB 0.788 41.608 40.800 0.034 0.000 1.048 65 D HN 0.179 nan 8.370 nan 0.000 0.512 66 A N 4.014 126.831 122.820 -0.005 0.000 1.917 66 A HA -0.235 4.085 4.320 -0.000 0.000 0.219 66 A C 1.973 179.555 177.584 -0.004 0.000 1.182 66 A CA 1.691 53.715 52.037 -0.022 0.000 0.633 66 A CB -0.428 18.558 19.000 -0.024 0.000 0.819 66 A HN 0.684 nan 8.150 nan 0.000 0.448 67 E N -0.788 119.417 120.200 0.009 0.000 2.077 67 E HA -0.211 4.139 4.350 -0.000 0.000 0.193 67 E C 1.921 178.529 176.600 0.014 0.000 0.989 67 E CA 1.451 57.860 56.400 0.015 0.000 0.800 67 E CB -0.194 29.517 29.700 0.018 0.000 0.746 67 E HN 0.472 nan 8.360 nan 0.000 0.452 68 L N 0.357 121.586 121.223 0.011 0.000 2.056 68 L HA -0.108 4.232 4.340 -0.000 0.000 0.207 68 L C 2.270 179.140 176.870 -0.000 0.000 1.078 68 L CA 1.235 56.081 54.840 0.008 0.000 0.749 68 L CB -0.429 41.638 42.059 0.012 0.000 0.901 68 L HN 0.025 nan 8.230 nan 0.000 0.433 69 V N -0.005 119.905 119.914 -0.006 0.000 2.407 69 V HA -0.320 3.800 4.120 -0.000 0.000 0.248 69 V C 2.279 178.368 176.094 -0.009 0.000 1.055 69 V CA 2.027 64.317 62.300 -0.016 0.000 1.049 69 V CB -0.757 31.044 31.823 -0.037 0.000 0.662 69 V HN 0.609 nan 8.190 nan 0.000 0.455 70 D N -0.172 120.239 120.400 0.017 0.000 2.144 70 D HA -0.218 4.422 4.640 -0.000 0.000 0.200 70 D C 2.241 178.544 176.300 0.005 0.000 0.978 70 D CA 1.353 55.397 54.000 0.073 0.000 0.833 70 D CB -0.134 40.726 40.800 0.100 0.000 0.961 70 D HN 0.373 nan 8.370 nan 0.000 0.470 71 K N -0.083 120.314 120.400 -0.005 0.000 2.057 71 K HA -0.117 4.203 4.320 -0.000 0.000 0.207 71 K C 2.108 178.667 176.600 -0.069 0.000 1.049 71 K CA 0.996 57.267 56.287 -0.025 0.000 0.931 71 K CB -0.081 32.416 32.500 -0.005 0.000 0.714 71 K HN 0.236 nan 8.250 nan 0.000 0.440 72 L N 0.254 121.441 121.223 -0.061 0.000 2.072 72 L HA -0.052 4.288 4.340 -0.000 0.000 0.205 72 L C 2.663 179.455 176.870 -0.130 0.000 1.079 72 L CA 0.999 55.801 54.840 -0.064 0.000 0.752 72 L CB -0.577 41.465 42.059 -0.028 0.000 0.906 72 L HN 0.245 nan 8.230 nan 0.000 0.436 73 A N 0.372 123.082 122.820 -0.184 0.000 1.972 73 A HA -0.129 4.190 4.320 -0.000 0.000 0.219 73 A C 2.464 179.647 177.584 -0.669 0.000 1.169 73 A CA 1.552 53.411 52.037 -0.297 0.000 0.635 73 A CB -0.570 18.319 19.000 -0.185 0.000 0.810 73 A HN 0.396 nan 8.150 nan 0.000 0.446 74 A N -0.502 121.818 122.820 -0.833 0.000 2.121 74 A HA -0.063 4.257 4.320 -0.000 0.000 0.218 74 A C 1.783 179.154 177.584 -0.355 0.000 1.154 74 A CA 1.529 53.027 52.037 -0.899 0.000 0.679 74 A CB -0.243 18.496 19.000 -0.435 0.000 0.795 74 A HN 0.561 nan 8.150 nan 0.000 0.458 75 K N -1.074 119.192 120.400 -0.224 0.000 2.387 75 K HA 0.478 4.797 4.320 -0.000 0.000 0.203 75 K C 0.190 176.767 176.600 -0.039 0.000 1.030 75 K CA 0.331 56.563 56.287 -0.091 0.000 1.099 75 K CB 0.832 33.303 32.500 -0.048 0.000 0.863 75 K HN 0.352 nan 8.250 nan 0.000 0.529 76 A N 1.566 124.350 122.820 -0.060 0.000 2.350 76 A HA 0.355 4.675 4.320 -0.000 0.000 0.318 76 A C -0.463 177.147 177.584 0.043 0.000 1.132 76 A CA -0.649 51.395 52.037 0.011 0.000 0.811 76 A CB 0.795 19.798 19.000 0.005 0.000 1.313 76 A HN 0.194 nan 8.150 nan 0.000 0.454 77 D N -1.041 119.420 120.400 0.102 0.000 2.469 77 D HA 0.504 5.144 4.640 -0.000 0.000 0.213 77 D C -0.001 176.379 176.300 0.133 0.000 1.135 77 D CA 0.705 54.808 54.000 0.172 0.000 0.834 77 D CB 0.535 41.495 40.800 0.266 0.000 1.009 77 D HN 0.926 nan 8.370 nan 0.000 0.507 78 A N -0.059 122.759 122.820 -0.004 0.000 2.599 78 A HA 0.615 4.935 4.320 -0.000 0.000 0.294 78 A C -1.864 175.655 177.584 -0.109 0.000 1.055 78 A CA -0.827 51.099 52.037 -0.186 0.000 0.683 78 A CB 0.802 19.401 19.000 -0.667 0.000 1.278 78 A HN 0.103 nan 8.150 nan 0.000 0.412 79 I N 1.400 121.900 120.570 -0.116 0.000 2.466 79 I HA 0.480 4.650 4.170 -0.000 0.000 0.289 79 I C -0.911 175.042 176.117 -0.273 0.000 1.026 79 I CA -0.992 60.245 61.300 -0.104 0.000 1.078 79 I CB 2.144 40.157 38.000 0.022 0.000 1.249 79 I HN 0.343 nan 8.210 nan 0.000 0.429 80 V N 5.164 124.962 119.914 -0.193 0.000 2.334 80 V HA 0.217 4.337 4.120 -0.000 0.000 0.281 80 V C -0.486 175.474 176.094 -0.223 0.000 1.016 80 V CA -0.643 61.493 62.300 -0.273 0.000 0.832 80 V CB 1.095 32.817 31.823 -0.169 0.000 0.999 80 V HN 0.573 nan 8.190 nan 0.000 0.439 81 H N 4.534 123.265 119.070 -0.566 0.000 2.787 81 H HA 0.399 4.954 4.556 -0.000 0.000 0.275 81 H C -0.345 174.716 175.328 -0.445 0.000 1.183 81 H CA -0.454 55.346 56.048 -0.413 0.000 1.290 81 H CB 0.415 29.922 29.762 -0.425 0.000 1.438 81 H HN 0.604 nan 8.280 nan 0.000 0.487 82 Y N 2.644 122.748 120.300 -0.326 0.000 2.498 82 Y HA 0.352 4.902 4.550 -0.000 0.000 0.259 82 Y C 1.596 177.305 175.900 -0.317 0.000 1.086 82 Y CA 0.363 58.250 58.100 -0.355 0.000 1.287 82 Y CB 0.134 38.456 38.460 -0.229 0.000 1.146 82 Y HN 0.682 nan 8.280 nan 0.000 0.523 83 A N 1.604 124.396 122.820 -0.047 0.000 2.580 83 A HA 0.440 4.760 4.320 -0.000 0.000 0.244 83 A C 0.397 177.957 177.584 -0.039 0.000 1.045 83 A CA 0.918 52.967 52.037 0.020 0.000 0.761 83 A CB -0.818 18.278 19.000 0.160 0.000 0.962 83 A HN 0.445 nan 8.150 nan 0.000 0.512 84 A N 2.606 125.418 122.820 -0.012 0.000 2.549 84 A HA 0.586 4.906 4.320 -0.000 0.000 0.291 84 A C -0.951 176.608 177.584 -0.042 0.000 1.034 84 A CA -0.749 51.288 52.037 -0.001 0.000 0.655 84 A CB 0.520 19.534 19.000 0.023 0.000 1.299 84 A HN 0.680 nan 8.150 nan 0.000 0.427 85 E N 1.275 121.394 120.200 -0.134 0.000 2.167 85 E HA 0.377 4.727 4.350 -0.000 0.000 0.284 85 E C 0.657 177.214 176.600 -0.072 0.000 1.016 85 E CA 0.541 56.710 56.400 -0.385 0.000 0.817 85 E CB 1.355 30.275 29.700 -1.300 0.000 1.080 85 E HN 0.752 nan 8.360 nan 0.000 0.397 86 S N 2.271 117.978 115.700 0.011 0.000 2.559 86 S HA 0.042 4.512 4.470 -0.000 0.000 0.226 86 S C 0.282 174.706 174.600 -0.293 0.000 1.000 86 S CA -0.198 57.952 58.200 -0.083 0.000 0.948 86 S CB 0.065 63.280 63.200 0.025 0.000 0.870 86 S HN 0.417 nan 8.310 nan 0.000 0.497 87 H N 2.151 121.197 119.070 -0.039 0.000 2.504 87 H HA 0.533 5.089 4.556 -0.000 0.000 0.322 87 H C 0.864 176.205 175.328 0.023 0.000 1.055 87 H CA -0.895 55.144 56.048 -0.015 0.000 1.231 87 H CB 0.750 30.588 29.762 0.127 0.000 1.417 87 H HN 0.001 nan 8.280 nan 0.000 0.472 88 N N 3.187 121.745 118.700 -0.238 0.000 2.069 88 N HA -0.175 4.565 4.740 -0.000 0.000 0.191 88 N C 0.694 176.018 175.510 -0.308 0.000 1.031 88 N CA 1.359 54.297 53.050 -0.187 0.000 0.852 88 N CB 0.212 38.672 38.487 -0.046 0.000 1.018 88 N HN 0.704 nan 8.380 nan 0.000 0.423 89 D N 0.934 120.994 120.400 -0.567 0.000 2.144 89 D HA -0.090 4.550 4.640 -0.000 0.000 0.199 89 D C 1.430 177.606 176.300 -0.206 0.000 0.984 89 D CA 0.778 54.576 54.000 -0.336 0.000 0.834 89 D CB -0.309 40.360 40.800 -0.220 0.000 0.955 89 D HN 0.251 nan 8.370 nan 0.000 0.465 90 N N 0.451 119.062 118.700 -0.149 0.000 2.188 90 N HA -0.113 4.627 4.740 -0.000 0.000 0.184 90 N C 1.891 177.389 175.510 -0.021 0.000 1.018 90 N CA 1.023 54.096 53.050 0.038 0.000 0.858 90 N CB -0.356 38.279 38.487 0.247 0.000 0.989 90 N HN 0.180 nan 8.380 nan 0.000 0.426 91 S N 0.460 115.954 115.700 -0.343 0.000 2.447 91 S HA 0.020 4.489 4.470 -0.000 0.000 0.233 91 S C 1.939 176.312 174.600 -0.378 0.000 1.006 91 S CA 0.472 58.149 58.200 -0.871 0.000 0.957 91 S CB -0.423 61.936 63.200 -1.402 0.000 0.773 91 S HN 0.228 nan 8.310 nan 0.000 0.507 92 L N 0.966 122.051 121.223 -0.231 0.000 2.270 92 L HA 0.121 4.461 4.340 -0.000 0.000 0.210 92 L C 2.163 178.977 176.870 -0.093 0.000 1.104 92 L CA 0.941 55.697 54.840 -0.141 0.000 0.804 92 L CB -0.517 41.473 42.059 -0.115 0.000 0.937 92 L HN 0.387 nan 8.230 nan 0.000 0.450 93 N N -1.024 117.630 118.700 -0.077 0.000 2.368 93 N HA -0.070 4.670 4.740 -0.000 0.000 0.176 93 N C -0.065 175.435 175.510 -0.017 0.000 1.021 93 N CA 0.509 53.534 53.050 -0.041 0.000 0.888 93 N CB 0.415 38.880 38.487 -0.037 0.000 0.995 93 N HN 0.060 nan 8.380 nan 0.000 0.437 94 D N -0.983 119.417 120.400 0.001 0.000 2.312 94 D HA 0.095 4.735 4.640 -0.000 0.000 0.229 94 D C -2.330 174.034 176.300 0.106 0.000 1.337 94 D CA -1.560 52.469 54.000 0.049 0.000 0.964 94 D CB 1.329 42.171 40.800 0.070 0.000 1.456 94 D HN -0.102 nan 8.370 nan 0.000 0.547 95 P HA -0.026 nan 4.420 nan 0.000 0.233 95 P C 1.178 178.636 177.300 0.263 0.000 1.167 95 P CA 0.191 63.343 63.100 0.087 0.000 0.770 95 P CB 0.504 32.196 31.700 -0.014 0.000 0.837 96 S N 1.977 117.795 115.700 0.197 0.000 2.380 96 S HA -0.111 4.359 4.470 -0.000 0.000 0.229 96 S C -0.249 174.489 174.600 0.231 0.000 1.050 96 S CA 2.290 60.597 58.200 0.178 0.000 1.100 96 S CB -2.012 61.255 63.200 0.112 0.000 0.984 96 S HN 0.401 nan 8.310 nan 0.000 0.434 97 P HA -0.029 nan 4.420 nan 0.000 0.223 97 P C 0.852 178.246 177.300 0.158 0.000 1.151 97 P CA 0.953 64.156 63.100 0.172 0.000 0.787 97 P CB -0.171 31.574 31.700 0.076 0.000 0.788 98 F N 0.134 120.183 119.950 0.165 0.000 2.163 98 F HA -0.087 4.440 4.527 -0.000 0.000 0.297 98 F C 2.589 178.489 175.800 0.167 0.000 1.094 98 F CA 0.891 58.995 58.000 0.173 0.000 1.290 98 F CB -1.039 38.058 39.000 0.161 0.000 1.017 98 F HN -0.224 nan 8.300 nan 0.000 0.483 99 I N -0.222 120.550 120.570 0.337 0.000 2.179 99 I HA -0.314 3.856 4.170 -0.000 0.000 0.242 99 I C 2.467 178.741 176.117 0.262 0.000 1.088 99 I CA 1.918 63.365 61.300 0.246 0.000 1.357 99 I CB -1.419 36.688 38.000 0.179 0.000 1.051 99 I HN 0.222 nan 8.210 nan 0.000 0.409 100 H N 0.955 120.121 119.070 0.160 0.000 2.270 100 H HA -0.137 4.419 4.556 -0.000 0.000 0.299 100 H C 2.263 177.665 175.328 0.124 0.000 1.077 100 H CA 2.763 58.889 56.048 0.131 0.000 1.294 100 H CB -0.102 29.717 29.762 0.095 0.000 1.371 100 H HN 0.133 nan 8.280 nan 0.000 0.491 101 T N 0.364 114.960 114.554 0.069 0.000 2.732 101 T HA -0.093 4.257 4.350 -0.000 0.000 0.261 101 T C 1.792 176.526 174.700 0.057 0.000 1.040 101 T CA 1.242 63.342 62.100 -0.001 0.000 1.145 101 T CB -0.221 68.686 68.868 0.064 0.000 0.866 101 T HN 0.388 nan 8.240 nan 0.000 0.427 102 N N 0.571 119.348 118.700 0.129 0.000 2.142 102 N HA 0.026 4.766 4.740 -0.000 0.000 0.186 102 N C 1.357 176.996 175.510 0.214 0.000 1.023 102 N CA 0.908 54.066 53.050 0.180 0.000 0.852 102 N CB -0.366 38.249 38.487 0.213 0.000 0.998 102 N HN 0.311 nan 8.380 nan 0.000 0.424 103 F N 0.907 120.889 119.950 0.053 0.000 2.289 103 F HA 0.204 4.731 4.527 -0.000 0.000 0.280 103 F C 1.942 177.742 175.800 0.000 0.000 1.045 103 F CA 0.279 58.292 58.000 0.021 0.000 1.236 103 F CB -0.170 38.838 39.000 0.013 0.000 1.116 103 F HN -0.198 nan 8.300 nan 0.000 0.550 104 I N 0.831 121.440 120.570 0.066 0.000 2.286 104 I HA -0.191 3.979 4.170 -0.000 0.000 0.248 104 I C 2.693 178.741 176.117 -0.115 0.000 1.115 104 I CA 1.608 62.890 61.300 -0.030 0.000 1.392 104 I CB -2.277 35.724 38.000 0.001 0.000 1.065 104 I HN 0.324 nan 8.210 nan 0.000 0.418 105 G N 0.397 109.105 108.800 -0.154 0.000 2.418 105 G HA2 -0.226 3.734 3.960 -0.000 0.000 0.217 105 G HA3 -0.226 3.734 3.960 -0.000 0.000 0.217 105 G C 1.683 176.477 174.900 -0.176 0.000 1.158 105 G CA 1.339 46.349 45.100 -0.149 0.000 0.771 105 G HN 0.328 nan 8.290 nan 0.000 0.545 106 T N -0.017 114.454 114.554 -0.138 0.000 2.746 106 T HA -0.166 4.184 4.350 -0.000 0.000 0.267 106 T C 1.972 176.414 174.700 -0.430 0.000 1.039 106 T CA 1.340 63.310 62.100 -0.217 0.000 1.142 106 T CB -0.343 68.481 68.868 -0.074 0.000 0.866 106 T HN 0.389 nan 8.240 nan 0.000 0.444 107 Y N 2.412 122.351 120.300 -0.602 0.000 2.165 107 Y HA -0.204 4.345 4.550 -0.000 0.000 0.286 107 Y C 2.453 178.065 175.900 -0.480 0.000 1.155 107 Y CA 1.616 59.302 58.100 -0.690 0.000 1.164 107 Y CB -1.046 37.023 38.460 -0.653 0.000 0.978 107 Y HN 0.118 nan 8.280 nan 0.000 0.513 108 T N 1.553 115.757 114.554 -0.583 0.000 2.720 108 T HA -0.193 4.157 4.350 -0.000 0.000 0.268 108 T C 2.035 176.464 174.700 -0.451 0.000 1.037 108 T CA 1.946 63.721 62.100 -0.541 0.000 1.144 108 T CB -0.568 68.140 68.868 -0.267 0.000 0.864 108 T HN 0.347 nan 8.240 nan 0.000 0.444 109 L N 0.207 121.192 121.223 -0.397 0.000 2.093 109 L HA 0.014 4.354 4.340 -0.000 0.000 0.208 109 L C 2.475 179.068 176.870 -0.462 0.000 1.085 109 L CA 0.908 55.558 54.840 -0.316 0.000 0.755 109 L CB -0.560 41.358 42.059 -0.234 0.000 0.904 109 L HN 0.235 nan 8.230 nan 0.000 0.435 110 L N -0.620 120.176 121.223 -0.712 0.000 2.083 110 L HA -0.175 4.164 4.340 -0.000 0.000 0.209 110 L C 2.689 179.283 176.870 -0.459 0.000 1.083 110 L CA 0.994 55.343 54.840 -0.819 0.000 0.752 110 L CB -0.420 40.965 42.059 -1.123 0.000 0.899 110 L HN 0.269 nan 8.230 nan 0.000 0.433 111 E N -0.017 119.910 120.200 -0.456 0.000 2.204 111 E HA -0.154 4.196 4.350 -0.000 0.000 0.194 111 E C 2.198 178.686 176.600 -0.187 0.000 0.989 111 E CA 1.186 57.425 56.400 -0.267 0.000 0.824 111 E CB -0.004 29.457 29.700 -0.398 0.000 0.756 111 E HN 0.474 nan 8.360 nan 0.000 0.477 112 A N 1.246 123.963 122.820 -0.171 0.000 1.929 112 A HA 0.055 4.374 4.320 -0.000 0.000 0.216 112 A C 2.392 180.016 177.584 0.067 0.000 1.176 112 A CA 1.467 53.499 52.037 -0.008 0.000 0.628 112 A CB -0.361 18.644 19.000 0.009 0.000 0.816 112 A HN 0.244 nan 8.150 nan 0.000 0.444 113 A N -0.013 122.789 122.820 -0.030 0.000 1.933 113 A HA -0.155 4.165 4.320 -0.000 0.000 0.218 113 A C 2.218 179.816 177.584 0.023 0.000 1.175 113 A CA 1.790 53.839 52.037 0.021 0.000 0.628 113 A CB -0.464 18.493 19.000 -0.071 0.000 0.814 113 A HN 0.554 nan 8.150 nan 0.000 0.444 114 R N -0.033 120.447 120.500 -0.033 0.000 2.073 114 R HA -0.148 4.191 4.340 -0.000 0.000 0.234 114 R C 2.271 178.515 176.300 -0.092 0.000 1.134 114 R CA 1.936 58.011 56.100 -0.041 0.000 0.952 114 R CB -0.283 29.972 30.300 -0.076 0.000 0.850 114 R HN 0.531 nan 8.270 nan 0.000 0.433 115 K N -0.598 119.715 120.400 -0.145 0.000 2.032 115 K HA -0.193 4.126 4.320 -0.000 0.000 0.209 115 K C 1.160 177.535 176.600 -0.375 0.000 1.048 115 K CA 1.751 57.859 56.287 -0.299 0.000 0.927 115 K CB -0.117 32.133 32.500 -0.416 0.000 0.712 115 K HN 0.303 nan 8.250 nan 0.000 0.441 116 Y N 0.510 120.795 120.300 -0.026 0.000 2.466 116 Y HA 0.066 4.616 4.550 -0.000 0.000 0.272 116 Y C -0.090 175.818 175.900 0.014 0.000 1.169 116 Y CA 0.226 58.324 58.100 -0.003 0.000 1.285 116 Y CB 0.225 38.688 38.460 0.005 0.000 1.078 116 Y HN 0.261 nan 8.280 nan 0.000 0.523 117 D N 1.405 121.865 120.400 0.099 0.000 2.697 117 D HA -0.209 4.431 4.640 -0.000 0.000 0.238 117 D C -0.432 175.943 176.300 0.125 0.000 1.152 117 D CA 0.716 54.770 54.000 0.089 0.000 0.666 117 D CB -1.175 39.663 40.800 0.062 0.000 1.037 117 D HN 0.566 nan 8.370 nan 0.000 0.423 118 I N -3.198 117.456 120.570 0.141 0.000 3.023 118 I HA 0.687 4.857 4.170 -0.000 0.000 0.312 118 I C 0.548 176.748 176.117 0.137 0.000 1.056 118 I CA -1.619 59.768 61.300 0.145 0.000 1.033 118 I CB 1.318 39.399 38.000 0.135 0.000 1.233 118 I HN -0.118 nan 8.210 nan 0.000 0.462 119 R N 1.845 122.414 120.500 0.115 0.000 2.590 119 R HA 0.360 4.700 4.340 -0.000 0.000 0.274 119 R C -1.656 174.687 176.300 0.073 0.000 1.061 119 R CA 0.330 56.466 56.100 0.060 0.000 1.081 119 R CB 0.312 30.545 30.300 -0.112 0.000 0.984 119 R HN 0.651 nan 8.270 nan 0.000 0.448 120 F N 3.668 123.583 119.950 -0.059 0.000 2.562 120 F HA 0.291 4.818 4.527 -0.000 0.000 0.319 120 F C -1.424 174.362 175.800 -0.024 0.000 1.154 120 F CA -0.802 57.164 58.000 -0.057 0.000 0.931 120 F CB 1.246 40.216 39.000 -0.050 0.000 1.198 120 F HN 0.698 nan 8.300 nan 0.000 0.444 121 H N 4.008 122.717 119.070 -0.603 0.000 2.539 121 H HA 0.324 4.880 4.556 -0.000 0.000 0.332 121 H C -1.457 173.509 175.328 -0.605 0.000 1.031 121 H CA -0.566 55.220 56.048 -0.437 0.000 1.206 121 H CB 0.616 30.142 29.762 -0.394 0.000 1.446 121 H HN 0.677 nan 8.280 nan 0.000 0.496 122 H N 4.545 123.006 119.070 -1.015 0.000 2.705 122 H HA 0.338 4.894 4.556 -0.000 0.000 0.291 122 H C -0.865 174.029 175.328 -0.724 0.000 1.085 122 H CA -0.466 55.203 56.048 -0.631 0.000 1.357 122 H CB 0.190 29.873 29.762 -0.132 0.000 1.419 122 H HN 0.385 nan 8.280 nan 0.000 0.462 123 V N 5.383 124.746 119.914 -0.918 0.000 2.408 123 V HA 0.255 4.375 4.120 -0.000 0.000 0.267 123 V C 0.496 176.194 176.094 -0.659 0.000 1.047 123 V CA 0.010 61.878 62.300 -0.720 0.000 0.937 123 V CB 0.650 31.921 31.823 -0.920 0.000 0.999 123 V HN 0.827 nan 8.190 nan 0.000 0.472 124 S N 3.231 118.693 115.700 -0.396 0.000 2.841 124 S HA 0.741 5.211 4.470 -0.000 0.000 0.318 124 S C -0.304 174.197 174.600 -0.166 0.000 1.127 124 S CA -0.293 57.726 58.200 -0.301 0.000 0.883 124 S CB 2.264 65.317 63.200 -0.245 0.000 1.271 124 S HN 0.804 nan 8.310 nan 0.000 0.567 125 T N -0.063 114.373 114.554 -0.197 0.000 2.924 125 T HA 0.376 4.726 4.350 -0.000 0.000 0.291 125 T C 0.040 174.573 174.700 -0.278 0.000 1.045 125 T CA -0.358 61.636 62.100 -0.175 0.000 1.015 125 T CB 1.056 69.863 68.868 -0.101 0.000 1.103 125 T HN 0.695 nan 8.240 nan 0.000 0.496 126 D N 1.390 121.656 120.400 -0.222 0.000 2.348 126 D HA -0.060 4.580 4.640 -0.000 0.000 0.216 126 D C 1.106 177.122 176.300 -0.475 0.000 0.970 126 D CA 0.736 54.616 54.000 -0.200 0.000 0.889 126 D CB -0.054 40.750 40.800 0.007 0.000 0.912 126 D HN 0.775 nan 8.370 nan 0.000 0.524 127 E N 0.433 120.314 120.200 -0.532 0.000 2.418 127 E HA -0.078 4.272 4.350 -0.000 0.000 0.197 127 E C 2.211 178.520 176.600 -0.487 0.000 1.026 127 E CA 0.754 56.853 56.400 -0.501 0.000 0.862 127 E CB 0.053 29.603 29.700 -0.251 0.000 0.799 127 E HN 0.405 nan 8.360 nan 0.000 0.518 128 V N -1.640 117.835 119.914 -0.732 0.000 2.759 128 V HA -0.225 3.895 4.120 -0.000 0.000 0.256 128 V C 1.515 177.046 176.094 -0.939 0.000 1.080 128 V CA 1.312 63.042 62.300 -0.950 0.000 1.101 128 V CB -1.000 29.966 31.823 -1.429 0.000 0.698 128 V HN 0.223 nan 8.190 nan 0.000 0.477 129 Y N 1.939 121.843 120.300 -0.660 0.000 2.490 129 Y HA 0.525 5.075 4.550 -0.000 0.000 0.281 129 Y C 1.893 177.577 175.900 -0.361 0.000 1.174 129 Y CA 0.399 58.119 58.100 -0.632 0.000 1.295 129 Y CB -0.002 37.682 38.460 -1.293 0.000 1.062 129 Y HN 0.570 nan 8.280 nan 0.000 0.522 130 G N 0.411 109.151 108.800 -0.100 0.000 2.496 130 G HA2 -0.262 3.698 3.960 -0.000 0.000 0.243 130 G HA3 -0.262 3.698 3.960 -0.000 0.000 0.243 130 G C -1.168 173.958 174.900 0.377 0.000 1.176 130 G CA -0.156 45.017 45.100 0.120 0.000 0.940 130 G HN 0.200 nan 8.290 nan 0.000 0.573 131 D N -0.069 120.530 120.400 0.332 0.000 2.350 131 D HA 0.807 5.447 4.640 -0.000 0.000 0.238 131 D C 0.036 176.497 176.300 0.269 0.000 0.989 131 D CA -0.267 53.916 54.000 0.304 0.000 0.921 131 D CB 1.482 42.362 40.800 0.134 0.000 1.297 131 D HN 0.525 nan 8.370 nan 0.000 0.490 132 L N 1.602 122.902 121.223 0.127 0.000 2.371 132 L HA 0.521 4.861 4.340 -0.000 0.000 0.262 132 L C -2.356 174.490 176.870 -0.039 0.000 1.006 132 L CA -1.936 52.914 54.840 0.016 0.000 0.818 132 L CB 2.499 44.479 42.059 -0.130 0.000 1.354 132 L HN 0.170 nan 8.230 nan 0.000 0.415 133 P HA 0.249 nan 4.420 nan 0.000 0.276 133 P C -0.728 176.524 177.300 -0.079 0.000 1.252 133 P CA -0.457 62.609 63.100 -0.056 0.000 0.802 133 P CB 0.574 32.248 31.700 -0.044 0.000 1.035 134 L N 1.739 122.913 121.223 -0.081 0.000 2.473 134 L HA 0.165 4.504 4.340 -0.000 0.000 0.268 134 L C 2.102 178.923 176.870 -0.082 0.000 1.215 134 L CA -0.064 54.725 54.840 -0.085 0.000 0.823 134 L CB 0.105 42.117 42.059 -0.078 0.000 1.099 134 L HN 0.424 nan 8.230 nan 0.000 0.483 135 R N 1.042 121.497 120.500 -0.075 0.000 2.105 135 R HA -0.188 4.152 4.340 -0.000 0.000 0.239 135 R C 1.887 178.112 176.300 -0.126 0.000 1.135 135 R CA 1.817 57.873 56.100 -0.074 0.000 0.967 135 R CB -0.197 30.084 30.300 -0.032 0.000 0.861 135 R HN 0.747 nan 8.270 nan 0.000 0.442 136 E N 0.471 120.606 120.200 -0.109 0.000 2.333 136 E HA -0.166 4.184 4.350 -0.000 0.000 0.198 136 E C 0.259 176.769 176.600 -0.150 0.000 1.007 136 E CA 1.096 57.416 56.400 -0.133 0.000 0.845 136 E CB 0.049 29.703 29.700 -0.078 0.000 0.766 136 E HN 0.266 nan 8.360 nan 0.000 0.507 137 D N 0.756 121.083 120.400 -0.122 0.000 2.424 137 D HA 0.240 4.880 4.640 -0.000 0.000 0.220 137 D C -0.181 176.058 176.300 -0.102 0.000 1.150 137 D CA 0.052 53.992 54.000 -0.101 0.000 0.831 137 D CB 0.538 41.295 40.800 -0.071 0.000 0.981 137 D HN 0.181 nan 8.370 nan 0.000 0.500 138 L N 1.545 122.683 121.223 -0.141 0.000 2.346 138 L HA 0.294 4.634 4.340 -0.000 0.000 0.276 138 L C -1.331 175.462 176.870 -0.130 0.000 1.006 138 L CA -1.806 52.971 54.840 -0.105 0.000 0.817 138 L CB 2.685 44.700 42.059 -0.074 0.000 1.272 138 L HN -0.305 nan 8.230 nan 0.000 0.421 139 P HA -0.106 nan 4.420 nan 0.000 0.220 139 P C 0.986 178.370 177.300 0.140 0.000 1.148 139 P CA 1.032 64.141 63.100 0.014 0.000 0.803 139 P CB 0.364 32.076 31.700 0.021 0.000 0.782 140 G N -1.758 107.114 108.800 0.120 0.000 3.189 140 G HA2 -0.009 3.951 3.960 -0.000 0.000 0.225 140 G HA3 -0.009 3.951 3.960 -0.000 0.000 0.225 140 G C -0.212 174.849 174.900 0.268 0.000 1.159 140 G CA -0.198 45.007 45.100 0.175 0.000 0.763 140 G HN 0.207 nan 8.290 nan 0.000 0.549 141 H N -1.560 117.501 119.070 -0.016 0.000 2.861 141 H HA -0.199 4.357 4.556 -0.000 0.000 0.289 141 H C 1.910 177.223 175.328 -0.025 0.000 1.176 141 H CA 0.955 56.992 56.048 -0.018 0.000 1.146 141 H CB -1.529 28.226 29.762 -0.012 0.000 1.330 141 H HN 0.971 nan 8.280 nan 0.000 0.379 142 G N -1.163 107.669 108.800 0.054 0.000 2.195 142 G HA2 -0.355 3.605 3.960 -0.000 0.000 0.246 142 G HA3 -0.355 3.605 3.960 -0.000 0.000 0.246 142 G C 0.916 175.823 174.900 0.010 0.000 0.984 142 G CA 0.593 45.697 45.100 0.007 0.000 0.633 142 G HN 0.486 nan 8.290 nan 0.000 0.525 143 E N 0.354 120.576 120.200 0.036 0.000 2.460 143 E HA 0.389 4.739 4.350 -0.000 0.000 0.200 143 E C 1.762 178.373 176.600 0.018 0.000 1.011 143 E CA 0.719 57.132 56.400 0.022 0.000 0.912 143 E CB 0.203 29.915 29.700 0.021 0.000 0.953 143 E HN 0.662 nan 8.360 nan 0.000 0.494 144 G N 1.116 109.930 108.800 0.024 0.000 2.580 144 G HA2 0.322 4.282 3.960 -0.000 0.000 0.278 144 G HA3 0.322 4.282 3.960 -0.000 0.000 0.278 144 G C -2.431 172.475 174.900 0.010 0.000 1.212 144 G CA -1.268 43.843 45.100 0.019 0.000 0.939 144 G HN -0.075 nan 8.290 nan 0.000 0.513 145 P HA 0.215 nan 4.420 nan 0.000 0.263 145 P C 0.865 178.169 177.300 0.007 0.000 1.195 145 P CA 1.486 64.591 63.100 0.008 0.000 0.762 145 P CB 0.965 32.671 31.700 0.010 0.000 0.799 146 G N 2.875 111.679 108.800 0.006 0.000 2.179 146 G HA2 -0.290 3.670 3.960 -0.000 0.000 0.260 146 G HA3 -0.290 3.670 3.960 -0.000 0.000 0.260 146 G C 0.709 175.608 174.900 -0.003 0.000 0.977 146 G CA -0.079 45.028 45.100 0.011 0.000 0.641 146 G HN 0.589 nan 8.290 nan 0.000 0.533 147 E N -0.005 120.182 120.200 -0.022 0.000 2.479 147 E HA 0.193 4.543 4.350 -0.000 0.000 0.193 147 E C 0.817 177.350 176.600 -0.112 0.000 1.049 147 E CA 0.424 56.794 56.400 -0.050 0.000 0.870 147 E CB 0.321 30.003 29.700 -0.031 0.000 0.944 147 E HN 0.464 nan 8.360 nan 0.000 0.492 148 K N 0.187 120.519 120.400 -0.114 0.000 2.512 148 K HA 0.367 4.687 4.320 -0.000 0.000 0.263 148 K C -0.911 175.617 176.600 -0.120 0.000 0.966 148 K CA -0.700 55.467 56.287 -0.200 0.000 0.851 148 K CB 1.757 34.193 32.500 -0.107 0.000 1.395 148 K HN -0.122 nan 8.250 nan 0.000 0.440 149 F N 1.290 121.181 119.950 -0.099 0.000 2.429 149 F HA 0.185 4.712 4.527 -0.000 0.000 0.348 149 F C 1.248 176.901 175.800 -0.244 0.000 1.109 149 F CA 0.052 57.899 58.000 -0.255 0.000 1.232 149 F CB 1.255 40.048 39.000 -0.345 0.000 1.157 149 F HN 0.514 nan 8.300 nan 0.000 0.564 150 T N -0.949 113.540 114.554 -0.108 0.000 2.838 150 T HA 0.567 4.917 4.350 -0.000 0.000 0.292 150 T C 0.521 175.129 174.700 -0.154 0.000 1.113 150 T CA -0.437 61.612 62.100 -0.085 0.000 1.008 150 T CB 1.556 70.403 68.868 -0.034 0.000 1.259 150 T HN 0.576 nan 8.240 nan 0.000 0.520 151 A N 0.011 122.797 122.820 -0.057 0.000 2.178 151 A HA 0.030 4.350 4.320 -0.000 0.000 0.218 151 A C 1.722 179.302 177.584 -0.007 0.000 1.157 151 A CA 0.995 53.023 52.037 -0.015 0.000 0.689 151 A CB -0.662 18.322 19.000 -0.027 0.000 0.787 151 A HN 0.774 nan 8.150 nan 0.000 0.465 152 E N -0.014 120.167 120.200 -0.032 0.000 2.474 152 E HA 0.049 4.399 4.350 -0.000 0.000 0.195 152 E C -0.054 176.544 176.600 -0.004 0.000 1.039 152 E CA 0.134 56.526 56.400 -0.013 0.000 0.881 152 E CB -0.279 29.414 29.700 -0.012 0.000 0.970 152 E HN 0.406 nan 8.360 nan 0.000 0.486 153 T N 3.286 117.808 114.554 -0.053 0.000 2.919 153 T HA 0.107 4.457 4.350 -0.000 0.000 0.302 153 T C 0.522 175.318 174.700 0.161 0.000 1.031 153 T CA -0.393 61.690 62.100 -0.028 0.000 1.127 153 T CB 0.415 69.121 68.868 -0.271 0.000 0.952 153 T HN 0.068 nan 8.240 nan 0.000 0.540 154 N N 1.632 120.433 118.700 0.168 0.000 2.503 154 N HA 0.086 4.825 4.740 -0.000 0.000 0.267 154 N C -0.621 175.111 175.510 0.369 0.000 1.214 154 N CA -0.312 52.861 53.050 0.204 0.000 0.959 154 N CB 0.267 38.823 38.487 0.115 0.000 1.142 154 N HN 0.416 nan 8.380 nan 0.000 0.455 155 Y N 0.407 120.740 120.300 0.055 0.000 2.346 155 Y HA 0.113 4.663 4.550 -0.000 0.000 0.330 155 Y C 0.954 176.836 175.900 -0.031 0.000 1.178 155 Y CA -0.586 57.488 58.100 -0.043 0.000 1.331 155 Y CB 0.082 38.486 38.460 -0.094 0.000 1.253 155 Y HN 0.679 nan 8.280 nan 0.000 0.529 156 N N 2.852 121.572 118.700 0.033 0.000 2.728 156 N HA 0.125 4.865 4.740 -0.000 0.000 0.221 156 N C -3.088 172.403 175.510 -0.031 0.000 1.412 156 N CA -0.881 52.183 53.050 0.023 0.000 1.003 156 N CB 0.520 39.045 38.487 0.063 0.000 1.525 156 N HN 0.204 nan 8.380 nan 0.000 0.552 157 P HA 0.099 nan 4.420 nan 0.000 0.268 157 P C -0.066 177.211 177.300 -0.038 0.000 1.205 157 P CA 0.080 63.116 63.100 -0.107 0.000 0.771 157 P CB 1.764 33.358 31.700 -0.176 0.000 0.858 158 S N 0.275 115.972 115.700 -0.004 0.000 2.483 158 S HA 0.050 4.519 4.470 -0.000 0.000 0.221 158 S C 1.113 175.717 174.600 0.007 0.000 1.030 158 S CA 0.231 58.444 58.200 0.022 0.000 0.925 158 S CB -0.057 63.184 63.200 0.069 0.000 0.795 158 S HN 0.778 nan 8.310 nan 0.000 0.511 159 S N 0.432 116.130 115.700 -0.003 0.000 2.745 159 S HA 0.541 5.011 4.470 -0.000 0.000 0.306 159 S C -2.751 171.813 174.600 -0.060 0.000 1.137 159 S CA -1.382 56.805 58.200 -0.022 0.000 0.900 159 S CB 1.200 64.406 63.200 0.011 0.000 1.176 159 S HN -0.205 nan 8.310 nan 0.000 0.520 160 P HA -0.048 nan 4.420 nan 0.000 0.218 160 P C 1.029 178.267 177.300 -0.102 0.000 1.149 160 P CA 0.914 63.933 63.100 -0.135 0.000 0.817 160 P CB -0.170 31.390 31.700 -0.233 0.000 0.785 161 Y N 1.255 121.416 120.300 -0.231 0.000 2.109 161 Y HA -0.195 4.354 4.550 -0.000 0.000 0.285 161 Y C 2.353 178.285 175.900 0.052 0.000 1.131 161 Y CA 2.168 60.263 58.100 -0.008 0.000 1.121 161 Y CB -1.128 37.356 38.460 0.040 0.000 0.987 161 Y HN -0.026 nan 8.280 nan 0.000 0.495 162 S N -1.264 114.225 115.700 -0.352 0.000 2.402 162 S HA -0.185 4.285 4.470 -0.000 0.000 0.229 162 S C 2.279 176.682 174.600 -0.328 0.000 1.021 162 S CA 1.187 59.102 58.200 -0.476 0.000 0.974 162 S CB -1.010 62.052 63.200 -0.229 0.000 0.800 162 S HN 0.482 nan 8.310 nan 0.000 0.484 163 S N 2.059 117.645 115.700 -0.190 0.000 2.368 163 S HA -0.119 4.351 4.470 -0.000 0.000 0.224 163 S C 2.198 176.736 174.600 -0.102 0.000 1.029 163 S CA 1.899 60.019 58.200 -0.133 0.000 0.988 163 S CB -1.113 62.034 63.200 -0.089 0.000 0.838 163 S HN 0.881 nan 8.310 nan 0.000 0.462 164 T N -0.370 114.148 114.554 -0.059 0.000 2.904 164 T HA 0.075 4.425 4.350 -0.000 0.000 0.267 164 T C 1.819 176.541 174.700 0.038 0.000 1.059 164 T CA 0.641 62.763 62.100 0.036 0.000 1.137 164 T CB -0.238 68.725 68.868 0.159 0.000 0.879 164 T HN 0.166 nan 8.240 nan 0.000 0.467 165 K N 1.773 122.103 120.400 -0.118 0.000 2.025 165 K HA 0.226 4.546 4.320 -0.000 0.000 0.207 165 K C 2.780 179.328 176.600 -0.087 0.000 1.049 165 K CA 1.393 57.599 56.287 -0.135 0.000 0.933 165 K CB -1.070 31.201 32.500 -0.382 0.000 0.714 165 K HN 0.490 nan 8.250 nan 0.000 0.438 166 A N 1.546 124.248 122.820 -0.197 0.000 1.908 166 A HA -0.128 4.192 4.320 -0.000 0.000 0.218 166 A C 2.418 180.055 177.584 0.088 0.000 1.181 166 A CA 2.222 54.148 52.037 -0.186 0.000 0.627 166 A CB -0.652 18.162 19.000 -0.310 0.000 0.818 166 A HN 0.309 nan 8.150 nan 0.000 0.445 167 A N 0.345 123.214 122.820 0.082 0.000 1.902 167 A HA -0.120 4.200 4.320 -0.000 0.000 0.217 167 A C 2.519 180.295 177.584 0.321 0.000 1.181 167 A CA 2.452 54.593 52.037 0.175 0.000 0.623 167 A CB -0.992 18.033 19.000 0.041 0.000 0.818 167 A HN 1.044 nan 8.150 nan 0.000 0.443 168 S N 0.078 115.945 115.700 0.279 0.000 2.402 168 S HA -0.169 4.301 4.470 -0.000 0.000 0.229 168 S C 1.393 175.967 174.600 -0.043 0.000 1.021 168 S CA 1.446 59.723 58.200 0.128 0.000 0.974 168 S CB -0.523 62.796 63.200 0.197 0.000 0.800 168 S HN 0.477 nan 8.310 nan 0.000 0.484 169 D N 2.044 122.502 120.400 0.096 0.000 2.117 169 D HA 0.008 4.648 4.640 -0.000 0.000 0.197 169 D C 1.949 178.277 176.300 0.047 0.000 0.987 169 D CA 1.064 55.114 54.000 0.084 0.000 0.829 169 D CB -0.471 40.497 40.800 0.280 0.000 0.961 169 D HN 0.375 nan 8.370 nan 0.000 0.460 170 L N 0.704 121.995 121.223 0.113 0.000 2.046 170 L HA -0.136 4.204 4.340 -0.000 0.000 0.208 170 L C 2.493 179.404 176.870 0.067 0.000 1.077 170 L CA 0.965 55.846 54.840 0.068 0.000 0.747 170 L CB -0.655 41.462 42.059 0.098 0.000 0.896 170 L HN 0.158 nan 8.230 nan 0.000 0.432 171 I N -3.811 116.790 120.570 0.052 0.000 2.546 171 I HA -0.115 4.055 4.170 -0.000 0.000 0.255 171 I C 2.333 178.435 176.117 -0.025 0.000 1.163 171 I CA 0.646 61.970 61.300 0.040 0.000 1.457 171 I CB -0.466 37.404 38.000 -0.217 0.000 1.092 171 I HN -0.101 nan 8.210 nan 0.000 0.434 172 V N 2.046 121.857 119.914 -0.172 0.000 2.295 172 V HA -0.250 3.870 4.120 -0.000 0.000 0.246 172 V C 2.671 178.778 176.094 0.021 0.000 1.049 172 V CA 2.165 64.359 62.300 -0.177 0.000 1.024 172 V CB -0.821 30.836 31.823 -0.276 0.000 0.648 172 V HN 0.445 nan 8.190 nan 0.000 0.447 173 K N 0.308 120.721 120.400 0.022 0.000 2.097 173 K HA -0.084 4.236 4.320 -0.000 0.000 0.206 173 K C 2.253 178.893 176.600 0.067 0.000 1.049 173 K CA 1.390 57.699 56.287 0.037 0.000 0.933 173 K CB -0.375 32.122 32.500 -0.004 0.000 0.717 173 K HN 0.478 nan 8.250 nan 0.000 0.442 174 A N 0.884 123.781 122.820 0.127 0.000 1.930 174 A HA -0.131 4.189 4.320 -0.000 0.000 0.217 174 A C 1.794 179.440 177.584 0.103 0.000 1.175 174 A CA 0.708 52.811 52.037 0.110 0.000 0.627 174 A CB -0.705 18.409 19.000 0.190 0.000 0.815 174 A HN 0.449 nan 8.150 nan 0.000 0.443 175 W N -0.082 121.188 121.300 -0.050 0.000 2.425 175 W HA -0.089 4.571 4.660 -0.000 0.000 0.277 175 W C 1.953 178.481 176.519 0.016 0.000 1.231 175 W CA 1.169 58.541 57.345 0.045 0.000 1.248 175 W CB 0.079 29.568 29.460 0.048 0.000 1.117 175 W HN 0.214 nan 8.180 nan 0.000 0.568 176 V N 0.333 120.345 119.914 0.163 0.000 2.283 176 V HA -0.268 3.852 4.120 -0.000 0.000 0.243 176 V C 2.312 178.407 176.094 0.001 0.000 1.039 176 V CA 2.052 64.403 62.300 0.085 0.000 1.016 176 V CB -0.799 31.066 31.823 0.070 0.000 0.650 176 V HN 0.069 nan 8.190 nan 0.000 0.449 177 R N -0.101 120.371 120.500 -0.046 0.000 2.092 177 R HA -0.110 4.230 4.340 -0.000 0.000 0.231 177 R C 2.297 178.477 176.300 -0.199 0.000 1.119 177 R CA 1.837 57.878 56.100 -0.099 0.000 0.970 177 R CB -0.169 30.074 30.300 -0.095 0.000 0.864 177 R HN 0.476 nan 8.270 nan 0.000 0.440 178 S N -0.754 114.729 115.700 -0.362 0.000 2.421 178 S HA 0.088 4.558 4.470 -0.000 0.000 0.224 178 S C 0.977 175.132 174.600 -0.742 0.000 1.035 178 S CA 0.689 58.475 58.200 -0.689 0.000 0.953 178 S CB 0.153 62.651 63.200 -1.171 0.000 0.810 178 S HN 0.349 nan 8.310 nan 0.000 0.497 179 F N 0.173 120.006 119.950 -0.194 0.000 2.706 179 F HA 0.363 4.890 4.527 -0.000 0.000 0.313 179 F C 1.547 177.303 175.800 -0.074 0.000 1.096 179 F CA -0.037 57.866 58.000 -0.163 0.000 1.219 179 F CB 0.591 39.445 39.000 -0.244 0.000 1.051 179 F HN 0.263 nan 8.300 nan 0.000 0.568 180 G N 1.736 110.586 108.800 0.083 0.000 2.176 180 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.252 180 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.252 180 G C 0.063 175.025 174.900 0.103 0.000 1.024 180 G CA -0.008 45.137 45.100 0.074 0.000 0.755 180 G HN 0.131 nan 8.290 nan 0.000 0.507 181 V N 0.055 120.054 119.914 0.142 0.000 2.763 181 V HA 0.112 4.232 4.120 -0.000 0.000 0.306 181 V C 1.317 177.481 176.094 0.118 0.000 1.059 181 V CA 0.627 63.007 62.300 0.134 0.000 1.138 181 V CB 1.101 33.018 31.823 0.157 0.000 0.940 181 V HN 0.391 nan 8.190 nan 0.000 0.489 182 K N 4.140 124.612 120.400 0.120 0.000 2.480 182 K HA 0.485 4.805 4.320 -0.000 0.000 0.241 182 K C 0.043 176.741 176.600 0.163 0.000 1.261 182 K CA 0.047 56.412 56.287 0.131 0.000 1.193 182 K CB 0.216 32.796 32.500 0.133 0.000 1.598 182 K HN 0.759 nan 8.250 nan 0.000 0.278 183 A N 1.142 124.063 122.820 0.168 0.000 2.354 183 A HA 0.686 5.005 4.320 -0.000 0.000 0.321 183 A C -0.034 177.662 177.584 0.187 0.000 1.125 183 A CA -0.623 51.547 52.037 0.221 0.000 0.799 183 A CB 1.112 20.264 19.000 0.253 0.000 1.293 183 A HN 0.396 nan 8.150 nan 0.000 0.452 184 T N -1.273 113.403 114.554 0.203 0.000 2.883 184 T HA 0.786 5.136 4.350 -0.000 0.000 0.296 184 T C -0.612 174.150 174.700 0.103 0.000 1.117 184 T CA -0.474 61.764 62.100 0.230 0.000 1.006 184 T CB 1.089 70.170 68.868 0.355 0.000 1.191 184 T HN 0.513 nan 8.240 nan 0.000 0.508 185 I N 1.537 122.192 120.570 0.142 0.000 2.647 185 I HA 0.591 4.761 4.170 -0.000 0.000 0.295 185 I C -0.411 175.801 176.117 0.157 0.000 1.078 185 I CA -0.967 60.348 61.300 0.025 0.000 1.048 185 I CB 2.613 40.676 38.000 0.105 0.000 1.239 185 I HN 0.956 nan 8.210 nan 0.000 0.421 186 S N 2.981 118.709 115.700 0.048 0.000 2.526 186 S HA 0.623 5.093 4.470 -0.000 0.000 0.293 186 S C -1.071 173.544 174.600 0.024 0.000 1.092 186 S CA -0.922 57.357 58.200 0.131 0.000 0.980 186 S CB 1.651 64.977 63.200 0.209 0.000 1.048 186 S HN 0.605 nan 8.310 nan 0.000 0.483 187 N N 0.912 119.637 118.700 0.042 0.000 2.483 187 N HA 0.539 5.279 4.740 -0.000 0.000 0.267 187 N C -1.347 174.153 175.510 -0.017 0.000 0.998 187 N CA -0.416 52.630 53.050 -0.006 0.000 0.918 187 N CB 1.602 40.120 38.487 0.052 0.000 1.215 187 N HN 0.772 nan 8.380 nan 0.000 0.500 188 C N 2.083 121.326 119.300 -0.096 0.000 2.454 188 C HA 0.718 5.178 4.460 -0.000 0.000 0.336 188 C C 0.900 175.814 174.990 -0.126 0.000 1.189 188 C CA -0.358 58.547 59.018 -0.189 0.000 1.877 188 C CB 0.295 27.701 27.740 -0.556 0.000 2.348 188 C HN 0.869 nan 8.230 nan 0.000 0.508 189 S N 3.774 119.421 115.700 -0.089 0.000 2.640 189 S HA 0.267 4.737 4.470 -0.000 0.000 0.262 189 S C -0.040 174.533 174.600 -0.045 0.000 1.232 189 S CA -0.410 57.761 58.200 -0.048 0.000 0.988 189 S CB 0.113 63.314 63.200 0.001 0.000 1.034 189 S HN 0.851 nan 8.310 nan 0.000 0.569 190 N N 2.081 120.730 118.700 -0.084 0.000 2.411 190 N HA 0.005 4.745 4.740 -0.000 0.000 0.265 190 N C -0.380 175.275 175.510 0.241 0.000 1.266 190 N CA 0.399 53.416 53.050 -0.056 0.000 0.889 190 N CB -0.141 37.993 38.487 -0.587 0.000 1.069 190 N HN 0.546 nan 8.380 nan 0.000 0.476 191 N N 1.647 120.569 118.700 0.370 0.000 2.515 191 N HA 0.276 5.016 4.740 -0.000 0.000 0.279 191 N C -0.919 175.052 175.510 0.769 0.000 1.164 191 N CA -0.196 53.145 53.050 0.484 0.000 0.982 191 N CB 1.034 39.732 38.487 0.352 0.000 1.170 191 N HN 0.503 nan 8.380 nan 0.000 0.474 192 Y N -1.938 118.662 120.300 0.501 0.000 2.625 192 Y HA 0.746 5.296 4.550 -0.000 0.000 0.338 192 Y C -0.187 175.761 175.900 0.079 0.000 1.123 192 Y CA -0.705 57.585 58.100 0.317 0.000 1.046 192 Y CB 1.285 39.878 38.460 0.221 0.000 1.299 192 Y HN 0.730 nan 8.280 nan 0.000 0.464 193 G N 0.655 109.430 108.800 -0.042 0.000 2.340 193 G HA2 0.282 4.242 3.960 -0.000 0.000 0.282 193 G HA3 0.282 4.242 3.960 -0.000 0.000 0.282 193 G C -3.489 171.254 174.900 -0.262 0.000 1.312 193 G CA -1.120 43.792 45.100 -0.314 0.000 0.942 193 G HN 0.567 nan 8.290 nan 0.000 0.495 194 P HA 0.467 nan 4.420 nan 0.000 0.271 194 P C -0.479 176.226 177.300 -0.990 0.000 1.218 194 P CA 0.702 62.936 63.100 -1.443 0.000 0.780 194 P CB -0.017 30.532 31.700 -1.918 0.000 0.901 195 Y N -2.411 116.942 120.300 -1.579 0.000 4.879 195 Y HA -0.248 4.302 4.550 -0.000 0.000 0.247 195 Y C 0.724 176.548 175.900 -0.126 0.000 0.985 195 Y CA 0.428 58.046 58.100 -0.804 0.000 2.000 195 Y CB -2.053 36.190 38.460 -0.361 0.000 1.519 195 Y HN 0.410 nan 8.280 nan 0.000 0.613 196 Q N 1.372 120.965 119.800 -0.345 0.000 2.288 196 Q HA 0.137 4.477 4.340 -0.000 0.000 0.254 196 Q C 0.473 176.599 176.000 0.209 0.000 0.932 196 Q CA -0.570 54.882 55.803 -0.585 0.000 0.902 196 Q CB 0.573 28.601 28.738 -1.184 0.000 1.203 196 Q HN 0.343 nan 8.270 nan 0.000 0.415 197 H N 4.691 123.864 119.070 0.172 0.000 3.001 197 H HA -0.054 4.502 4.556 -0.000 0.000 0.334 197 H C 1.021 176.426 175.328 0.129 0.000 1.034 197 H CA 0.767 56.945 56.048 0.216 0.000 1.420 197 H CB 0.713 30.562 29.762 0.146 0.000 1.405 197 H HN 0.810 nan 8.280 nan 0.000 0.593 198 I N 1.661 122.141 120.570 -0.150 0.000 3.241 198 I HA -0.112 4.058 4.170 -0.000 0.000 0.280 198 I C 1.495 177.671 176.117 0.098 0.000 1.320 198 I CA 0.930 62.184 61.300 -0.077 0.000 1.413 198 I CB -0.334 37.571 38.000 -0.158 0.000 1.060 198 I HN 0.602 nan 8.210 nan 0.000 0.500 199 E N 1.464 121.887 120.200 0.372 0.000 2.299 199 E HA 0.027 4.377 4.350 -0.000 0.000 0.193 199 E C 0.353 177.052 176.600 0.164 0.000 0.998 199 E CA -0.038 56.555 56.400 0.321 0.000 0.851 199 E CB 0.110 29.905 29.700 0.158 0.000 0.795 199 E HN 0.350 nan 8.360 nan 0.000 0.492 200 K N 0.784 121.236 120.400 0.087 0.000 2.202 200 K HA 0.044 4.364 4.320 -0.000 0.000 0.264 200 K C 0.577 177.256 176.600 0.131 0.000 1.010 200 K CA -0.408 55.940 56.287 0.101 0.000 0.940 200 K CB 0.485 33.047 32.500 0.103 0.000 0.983 200 K HN -0.017 nan 8.250 nan 0.000 0.475 201 F N 2.404 122.381 119.950 0.045 0.000 2.032 201 F HA -0.317 4.210 4.527 -0.000 0.000 0.297 201 F C 1.901 177.632 175.800 -0.115 0.000 1.125 201 F CA 1.798 59.782 58.000 -0.028 0.000 1.202 201 F CB -0.401 38.645 39.000 0.077 0.000 0.958 201 F HN 0.513 nan 8.300 nan 0.000 0.491 202 I N 1.000 121.349 120.570 -0.368 0.000 2.113 202 I HA -0.244 3.926 4.170 -0.000 0.000 0.238 202 I C -0.484 175.295 176.117 -0.563 0.000 1.070 202 I CA 1.749 62.670 61.300 -0.632 0.000 1.332 202 I CB -1.883 35.822 38.000 -0.492 0.000 1.044 202 I HN 0.177 nan 8.210 nan 0.000 0.402 203 P HA -0.188 nan 4.420 nan 0.000 0.220 203 P C 1.505 178.452 177.300 -0.589 0.000 1.148 203 P CA 1.473 64.130 63.100 -0.738 0.000 0.803 203 P CB -0.240 31.086 31.700 -0.624 0.000 0.782 204 R N 0.047 120.326 120.500 -0.367 0.000 2.081 204 R HA -0.137 4.203 4.340 -0.000 0.000 0.235 204 R C 2.384 178.489 176.300 -0.325 0.000 1.131 204 R CA 1.430 57.368 56.100 -0.270 0.000 0.960 204 R CB -0.252 29.981 30.300 -0.112 0.000 0.856 204 R HN 0.063 nan 8.270 nan 0.000 0.436 205 Q N 0.540 120.101 119.800 -0.397 0.000 2.046 205 Q HA -0.107 4.232 4.340 -0.000 0.000 0.200 205 Q C 2.235 178.024 176.000 -0.351 0.000 0.975 205 Q CA 1.339 56.923 55.803 -0.364 0.000 0.836 205 Q CB -0.323 28.130 28.738 -0.475 0.000 0.896 205 Q HN 0.440 nan 8.270 nan 0.000 0.428 206 I N 1.214 121.521 120.570 -0.439 0.000 2.163 206 I HA -0.284 3.886 4.170 -0.000 0.000 0.243 206 I C 2.391 178.269 176.117 -0.398 0.000 1.085 206 I CA 1.898 62.960 61.300 -0.397 0.000 1.347 206 I CB -0.663 37.044 38.000 -0.489 0.000 1.044 206 I HN 0.302 nan 8.210 nan 0.000 0.408 207 T N -2.055 112.137 114.554 -0.603 0.000 2.951 207 T HA -0.054 4.295 4.350 -0.000 0.000 0.268 207 T C 1.678 176.120 174.700 -0.430 0.000 1.073 207 T CA 1.009 62.624 62.100 -0.808 0.000 1.134 207 T CB -0.385 67.569 68.868 -1.524 0.000 0.884 207 T HN 0.169 nan 8.240 nan 0.000 0.479 208 N N 1.531 120.060 118.700 -0.286 0.000 2.142 208 N HA 0.116 4.856 4.740 -0.000 0.000 0.186 208 N C 1.787 177.253 175.510 -0.073 0.000 1.023 208 N CA 1.024 53.997 53.050 -0.129 0.000 0.852 208 N CB -0.462 37.962 38.487 -0.106 0.000 0.998 208 N HN 0.458 nan 8.380 nan 0.000 0.424 209 I N 0.526 121.036 120.570 -0.100 0.000 2.226 209 I HA -0.245 3.925 4.170 -0.000 0.000 0.245 209 I C 1.857 177.971 176.117 -0.004 0.000 1.100 209 I CA 0.860 62.128 61.300 -0.052 0.000 1.374 209 I CB -0.222 37.733 38.000 -0.075 0.000 1.057 209 I HN 0.109 nan 8.210 nan 0.000 0.413 210 L N 0.415 121.642 121.223 0.007 0.000 2.191 210 L HA -0.151 4.189 4.340 -0.000 0.000 0.212 210 L C 2.423 179.401 176.870 0.180 0.000 1.103 210 L CA 1.060 55.973 54.840 0.121 0.000 0.769 210 L CB -0.519 41.690 42.059 0.250 0.000 0.908 210 L HN 0.239 nan 8.230 nan 0.000 0.438 211 A N -0.651 122.272 122.820 0.173 0.000 2.275 211 A HA 0.350 4.670 4.320 -0.000 0.000 0.212 211 A C 1.602 179.242 177.584 0.094 0.000 1.201 211 A CA 0.582 52.727 52.037 0.181 0.000 0.843 211 A CB -0.253 18.886 19.000 0.231 0.000 0.873 211 A HN 0.472 nan 8.150 nan 0.000 0.492 212 G N -0.580 108.257 108.800 0.061 0.000 2.160 212 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.244 212 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.244 212 G C -0.051 174.868 174.900 0.031 0.000 1.022 212 G CA 0.454 45.578 45.100 0.039 0.000 0.741 212 G HN 0.487 nan 8.290 nan 0.000 0.508 213 I N -0.117 120.469 120.570 0.026 0.000 2.603 213 I HA 0.391 4.561 4.170 -0.000 0.000 0.300 213 I C 0.347 176.468 176.117 0.007 0.000 1.017 213 I CA -1.256 60.056 61.300 0.021 0.000 1.098 213 I CB 1.560 39.576 38.000 0.027 0.000 1.279 213 I HN -0.202 nan 8.210 nan 0.000 0.437 214 K N 4.746 125.154 120.400 0.013 0.000 2.350 214 K HA 0.307 4.626 4.320 -0.000 0.000 0.279 214 K C -2.403 174.207 176.600 0.016 0.000 1.027 214 K CA -1.486 54.812 56.287 0.018 0.000 0.969 214 K CB 0.462 32.976 32.500 0.023 0.000 0.954 214 K HN 0.175 nan 8.250 nan 0.000 0.474 215 P HA 0.082 nan 4.420 nan 0.000 0.272 215 P C -0.625 176.703 177.300 0.046 0.000 1.230 215 P CA 0.043 63.135 63.100 -0.013 0.000 0.788 215 P CB 0.581 32.255 31.700 -0.042 0.000 0.949 216 K N 1.790 122.205 120.400 0.025 0.000 2.426 216 K HA 0.492 4.811 4.320 -0.000 0.000 0.254 216 K C -1.140 175.530 176.600 0.117 0.000 0.936 216 K CA -0.765 55.572 56.287 0.084 0.000 0.801 216 K CB 1.777 34.310 32.500 0.055 0.000 1.139 216 K HN 0.287 nan 8.250 nan 0.000 0.424 217 L N 3.476 124.792 121.223 0.155 0.000 2.325 217 L HA 0.383 4.723 4.340 -0.000 0.000 0.281 217 L C -1.152 175.905 176.870 0.312 0.000 1.004 217 L CA -0.588 54.338 54.840 0.143 0.000 0.823 217 L CB 0.622 42.673 42.059 -0.014 0.000 1.236 217 L HN 0.338 nan 8.230 nan 0.000 0.415 218 Y N 5.407 125.742 120.300 0.059 0.000 2.569 218 Y HA 0.443 4.993 4.550 -0.000 0.000 0.332 218 Y C 1.368 177.344 175.900 0.126 0.000 1.120 218 Y CA 0.246 58.390 58.100 0.074 0.000 1.416 218 Y CB 0.077 38.562 38.460 0.042 0.000 1.210 218 Y HN 0.896 nan 8.280 nan 0.000 0.528 219 G N 3.964 112.925 108.800 0.269 0.000 2.583 219 G HA2 -0.309 3.651 3.960 -0.000 0.000 0.292 219 G HA3 -0.309 3.651 3.960 -0.000 0.000 0.292 219 G C 0.719 175.783 174.900 0.273 0.000 1.203 219 G CA 0.460 45.678 45.100 0.198 0.000 0.987 219 G HN 0.515 nan 8.290 nan 0.000 0.554 220 E N 2.004 122.309 120.200 0.176 0.000 2.476 220 E HA 0.353 4.703 4.350 -0.000 0.000 0.196 220 E C 1.609 178.313 176.600 0.172 0.000 1.029 220 E CA 1.132 57.654 56.400 0.203 0.000 0.896 220 E CB 0.105 29.847 29.700 0.071 0.000 1.012 220 E HN 2.113 nan 8.360 nan 0.000 0.475 221 G N 3.057 111.930 108.800 0.122 0.000 2.198 221 G HA2 -0.376 3.584 3.960 -0.000 0.000 0.257 221 G HA3 -0.376 3.584 3.960 -0.000 0.000 0.257 221 G C 0.945 175.839 174.900 -0.011 0.000 1.042 221 G CA 0.937 46.059 45.100 0.037 0.000 0.791 221 G HN 0.439 nan 8.290 nan 0.000 0.502 222 K N -0.516 119.867 120.400 -0.028 0.000 2.296 222 K HA 0.030 4.350 4.320 -0.000 0.000 0.200 222 K C 0.768 177.299 176.600 -0.114 0.000 1.048 222 K CA 0.591 56.843 56.287 -0.059 0.000 0.966 222 K CB -0.004 32.460 32.500 -0.060 0.000 0.754 222 K HN 0.396 nan 8.250 nan 0.000 0.466 223 N N 1.232 119.827 118.700 -0.175 0.000 2.407 223 N HA 0.043 4.782 4.740 -0.000 0.000 0.250 223 N C -1.178 174.218 175.510 -0.189 0.000 1.236 223 N CA -0.072 52.823 53.050 -0.258 0.000 0.879 223 N CB 1.134 39.377 38.487 -0.407 0.000 1.088 223 N HN -0.073 nan 8.380 nan 0.000 0.450 224 V N 2.484 122.271 119.914 -0.212 0.000 2.459 224 V HA 0.503 4.623 4.120 -0.000 0.000 0.295 224 V C 0.006 175.975 176.094 -0.208 0.000 1.029 224 V CA -0.717 61.489 62.300 -0.158 0.000 0.874 224 V CB 1.267 33.012 31.823 -0.130 0.000 0.985 224 V HN 0.593 nan 8.190 nan 0.000 0.438 225 R N 1.966 122.351 120.500 -0.192 0.000 2.750 225 R HA 0.438 4.778 4.340 -0.000 0.000 0.281 225 R C -1.095 174.930 176.300 -0.459 0.000 0.972 225 R CA -0.850 55.032 56.100 -0.364 0.000 0.912 225 R CB 2.006 31.910 30.300 -0.661 0.000 1.187 225 R HN 0.654 nan 8.270 nan 0.000 0.464 226 D N 2.064 122.250 120.400 -0.357 0.000 2.456 226 D HA 0.159 4.799 4.640 -0.000 0.000 0.219 226 D C -0.627 175.549 176.300 -0.207 0.000 1.126 226 D CA -0.385 53.499 54.000 -0.194 0.000 0.890 226 D CB 0.294 41.065 40.800 -0.048 0.000 1.025 226 D HN 0.211 nan 8.370 nan 0.000 0.511 227 W N 3.980 125.317 121.300 0.062 0.000 2.238 227 W HA 0.389 5.048 4.660 -0.000 0.000 0.321 227 W C 0.625 177.347 176.519 0.337 0.000 1.293 227 W CA -0.646 56.812 57.345 0.188 0.000 1.204 227 W CB 0.724 30.195 29.460 0.020 0.000 1.167 227 W HN 0.210 nan 8.180 nan 0.000 0.553 228 I N 2.971 123.943 120.570 0.669 0.000 2.619 228 I HA 0.201 4.371 4.170 -0.000 0.000 0.292 228 I C -0.373 175.965 176.117 0.367 0.000 1.100 228 I CA -1.070 60.536 61.300 0.509 0.000 1.043 228 I CB 1.378 39.565 38.000 0.312 0.000 1.239 228 I HN 0.390 nan 8.210 nan 0.000 0.420 229 H N 4.999 124.119 119.070 0.082 0.000 2.764 229 H HA 0.034 4.589 4.556 -0.000 0.000 0.341 229 H C 0.811 176.018 175.328 -0.201 0.000 1.072 229 H CA 1.106 56.896 56.048 -0.429 0.000 1.444 229 H CB 1.850 31.306 29.762 -0.510 0.000 1.458 229 H HN 0.835 nan 8.280 nan 0.000 0.572 230 T N 3.007 117.324 114.554 -0.396 0.000 2.849 230 T HA -0.170 4.180 4.350 -0.000 0.000 0.270 230 T C 1.505 176.199 174.700 -0.010 0.000 1.066 230 T CA 1.943 63.940 62.100 -0.171 0.000 1.130 230 T CB -0.094 68.525 68.868 -0.415 0.000 0.864 230 T HN 0.701 nan 8.240 nan 0.000 0.481 231 N N 0.207 118.960 118.700 0.088 0.000 2.223 231 N HA -0.099 4.640 4.740 -0.000 0.000 0.185 231 N C 1.344 176.920 175.510 0.110 0.000 1.016 231 N CA 1.242 54.283 53.050 -0.015 0.000 0.863 231 N CB -0.034 38.216 38.487 -0.395 0.000 0.983 231 N HN 0.416 nan 8.380 nan 0.000 0.429 232 D N -0.435 120.090 120.400 0.208 0.000 2.234 232 D HA -0.097 4.543 4.640 -0.000 0.000 0.205 232 D C 1.502 178.091 176.300 0.482 0.000 0.962 232 D CA 0.719 54.976 54.000 0.428 0.000 0.855 232 D CB -0.167 40.934 40.800 0.501 0.000 0.951 232 D HN 0.458 nan 8.370 nan 0.000 0.500 233 H N 0.093 119.270 119.070 0.178 0.000 2.357 233 H HA -0.040 4.515 4.556 -0.000 0.000 0.301 233 H C 1.937 177.288 175.328 0.039 0.000 1.082 233 H CA 1.034 57.123 56.048 0.067 0.000 1.342 233 H CB 0.510 30.278 29.762 0.011 0.000 1.389 233 H HN -0.069 nan 8.280 nan 0.000 0.511 234 S N -0.409 115.359 115.700 0.114 0.000 2.359 234 S HA -0.181 4.289 4.470 -0.000 0.000 0.224 234 S C 2.308 176.855 174.600 -0.087 0.000 1.035 234 S CA 1.804 60.025 58.200 0.034 0.000 1.018 234 S CB -0.390 62.770 63.200 -0.068 0.000 0.876 234 S HN 0.740 nan 8.310 nan 0.000 0.448 235 T N -0.315 114.208 114.554 -0.052 0.000 2.915 235 T HA 0.035 4.385 4.350 -0.000 0.000 0.269 235 T C 1.915 176.752 174.700 0.228 0.000 1.071 235 T CA 1.245 63.388 62.100 0.071 0.000 1.132 235 T CB -0.733 68.306 68.868 0.285 0.000 0.878 235 T HN 0.363 nan 8.240 nan 0.000 0.479 236 G N 1.062 109.902 108.800 0.067 0.000 2.402 236 G HA2 -0.080 3.879 3.960 -0.000 0.000 0.216 236 G HA3 -0.080 3.879 3.960 -0.000 0.000 0.216 236 G C 1.615 176.341 174.900 -0.290 0.000 1.162 236 G CA 0.752 45.561 45.100 -0.486 0.000 0.777 236 G HN 0.462 nan 8.290 nan 0.000 0.539 237 V N 0.010 119.825 119.914 -0.166 0.000 2.358 237 V HA -0.128 3.992 4.120 -0.000 0.000 0.246 237 V C 2.274 178.248 176.094 -0.199 0.000 1.047 237 V CA 1.526 63.640 62.300 -0.310 0.000 1.035 237 V CB -0.504 31.091 31.823 -0.379 0.000 0.658 237 V HN 0.637 nan 8.190 nan 0.000 0.452 238 W N 0.848 122.121 121.300 -0.046 0.000 2.358 238 W HA -0.211 4.449 4.660 -0.000 0.000 0.303 238 W C 2.412 178.926 176.519 -0.008 0.000 1.208 238 W CA 1.917 59.310 57.345 0.080 0.000 1.274 238 W CB -0.169 29.407 29.460 0.193 0.000 1.138 238 W HN 0.313 nan 8.180 nan 0.000 0.515 239 A N 0.724 123.571 122.820 0.044 0.000 1.902 239 A HA -0.185 4.135 4.320 -0.000 0.000 0.217 239 A C 2.002 179.439 177.584 -0.244 0.000 1.181 239 A CA 1.903 53.915 52.037 -0.041 0.000 0.623 239 A CB -1.017 18.012 19.000 0.049 0.000 0.818 239 A HN 0.320 nan 8.150 nan 0.000 0.443 240 I N -0.873 119.467 120.570 -0.384 0.000 2.252 240 I HA -0.199 3.971 4.170 -0.000 0.000 0.245 240 I C 2.409 178.294 176.117 -0.386 0.000 1.102 240 I CA 1.093 62.096 61.300 -0.494 0.000 1.385 240 I CB -0.301 37.338 38.000 -0.601 0.000 1.064 240 I HN 0.398 nan 8.210 nan 0.000 0.414 241 L N 0.839 121.775 121.223 -0.479 0.000 2.012 241 L HA -0.232 4.108 4.340 -0.000 0.000 0.210 241 L C 2.567 179.294 176.870 -0.238 0.000 1.073 241 L CA 2.650 57.242 54.840 -0.413 0.000 0.748 241 L CB -0.885 40.855 42.059 -0.531 0.000 0.891 241 L HN 0.452 nan 8.230 nan 0.000 0.431 242 T N -4.747 109.603 114.554 -0.340 0.000 3.051 242 T HA 0.048 4.398 4.350 -0.000 0.000 0.255 242 T C 1.436 176.080 174.700 -0.093 0.000 1.085 242 T CA 0.709 62.693 62.100 -0.194 0.000 1.109 242 T CB -0.073 68.566 68.868 -0.382 0.000 0.921 242 T HN 0.437 nan 8.240 nan 0.000 0.488 243 K N 0.569 120.905 120.400 -0.105 0.000 2.517 243 K HA 0.332 4.652 4.320 -0.000 0.000 0.210 243 K C 1.123 177.700 176.600 -0.038 0.000 1.166 243 K CA -0.303 55.955 56.287 -0.048 0.000 1.030 243 K CB 1.119 33.603 32.500 -0.026 0.000 0.974 243 K HN 0.326 nan 8.250 nan 0.000 0.585 244 G N 1.570 110.321 108.800 -0.082 0.000 2.606 244 G HA2 0.143 4.103 3.960 -0.000 0.000 0.252 244 G HA3 0.143 4.103 3.960 -0.000 0.000 0.252 244 G C -0.516 174.464 174.900 0.132 0.000 1.206 244 G CA -0.426 44.663 45.100 -0.018 0.000 0.861 244 G HN 0.114 nan 8.290 nan 0.000 0.561 245 R N 0.217 120.875 120.500 0.262 0.000 2.254 245 R HA 0.234 4.573 4.340 -0.000 0.000 0.318 245 R C 0.090 176.494 176.300 0.174 0.000 1.031 245 R CA -0.796 55.415 56.100 0.185 0.000 0.905 245 R CB 1.089 31.487 30.300 0.163 0.000 1.050 245 R HN 0.375 nan 8.270 nan 0.000 0.456 246 M N 1.919 121.595 119.600 0.126 0.000 2.260 246 M HA 0.031 4.511 4.480 -0.000 0.000 0.348 246 M C 1.233 177.589 176.300 0.094 0.000 1.342 246 M CA 1.433 56.803 55.300 0.117 0.000 1.040 246 M CB 0.418 33.076 32.600 0.097 0.000 1.810 246 M HN 0.945 nan 8.290 nan 0.000 0.453 247 G N 2.067 110.926 108.800 0.099 0.000 2.217 247 G HA2 -0.168 3.792 3.960 -0.000 0.000 0.246 247 G HA3 -0.168 3.792 3.960 -0.000 0.000 0.246 247 G C 0.114 175.035 174.900 0.036 0.000 0.990 247 G CA -0.057 45.081 45.100 0.063 0.000 0.627 247 G HN 0.599 nan 8.290 nan 0.000 0.522 248 E N 0.802 121.024 120.200 0.037 0.000 2.319 248 E HA 0.556 4.905 4.350 -0.000 0.000 0.268 248 E C -0.163 176.375 176.600 -0.104 0.000 1.050 248 E CA 0.037 56.379 56.400 -0.096 0.000 0.878 248 E CB 1.170 30.724 29.700 -0.243 0.000 1.066 248 E HN 0.149 nan 8.360 nan 0.000 0.406 249 T N 2.110 116.535 114.554 -0.215 0.000 2.797 249 T HA 0.479 4.829 4.350 -0.000 0.000 0.279 249 T C -0.875 173.664 174.700 -0.268 0.000 0.991 249 T CA -0.422 61.626 62.100 -0.087 0.000 0.979 249 T CB 0.218 69.095 68.868 0.015 0.000 0.943 249 T HN 0.193 nan 8.240 nan 0.000 0.444 250 Y N 1.842 122.181 120.300 0.065 0.000 2.409 250 Y HA 0.589 5.139 4.550 -0.000 0.000 0.343 250 Y C -0.521 175.391 175.900 0.020 0.000 0.973 250 Y CA -1.298 56.822 58.100 0.032 0.000 1.064 250 Y CB 1.178 39.634 38.460 -0.006 0.000 1.207 250 Y HN 0.354 nan 8.280 nan 0.000 0.452 251 L N 4.497 125.812 121.223 0.153 0.000 2.289 251 L HA 0.486 4.825 4.340 -0.000 0.000 0.285 251 L C -0.485 176.395 176.870 0.016 0.000 1.049 251 L CA -0.335 54.563 54.840 0.097 0.000 0.804 251 L CB 0.839 42.961 42.059 0.104 0.000 1.195 251 L HN 0.479 nan 8.230 nan 0.000 0.428 252 I N 2.512 123.049 120.570 -0.056 0.000 2.378 252 I HA 0.773 4.943 4.170 -0.000 0.000 0.291 252 I C 0.390 176.489 176.117 -0.031 0.000 0.992 252 I CA -0.314 60.875 61.300 -0.186 0.000 1.154 252 I CB 1.668 39.472 38.000 -0.326 0.000 1.315 252 I HN 0.669 nan 8.210 nan 0.000 0.448 253 G N 3.404 112.280 108.800 0.127 0.000 2.673 253 G HA2 0.587 4.547 3.960 -0.000 0.000 0.292 253 G HA3 0.587 4.547 3.960 -0.000 0.000 0.292 253 G C -0.820 174.294 174.900 0.357 0.000 1.450 253 G CA -0.256 44.968 45.100 0.207 0.000 0.837 253 G HN 0.634 nan 8.290 nan 0.000 0.505 254 A N 0.342 123.338 122.820 0.294 0.000 2.589 254 A HA 0.571 4.891 4.320 -0.000 0.000 0.283 254 A C 0.535 178.235 177.584 0.194 0.000 1.187 254 A CA 0.860 53.062 52.037 0.275 0.000 0.957 254 A CB -0.219 18.969 19.000 0.314 0.000 1.175 254 A HN 1.469 nan 8.150 nan 0.000 0.532 255 D N -0.834 119.660 120.400 0.156 0.000 2.737 255 D HA -0.140 4.500 4.640 -0.000 0.000 0.238 255 D C 0.553 176.917 176.300 0.106 0.000 1.157 255 D CA 1.307 55.372 54.000 0.108 0.000 0.694 255 D CB -1.261 39.596 40.800 0.094 0.000 1.021 255 D HN 0.539 nan 8.370 nan 0.000 0.420 256 G N 1.490 110.357 108.800 0.110 0.000 4.864 256 G HA2 0.324 4.284 3.960 -0.000 0.000 0.280 256 G HA3 0.324 4.284 3.960 -0.000 0.000 0.280 256 G C -0.042 174.884 174.900 0.043 0.000 1.239 256 G CA -0.588 44.571 45.100 0.098 0.000 0.951 256 G HN 0.306 nan 8.290 nan 0.000 0.583 257 E N 1.175 121.384 120.200 0.015 0.000 2.414 257 E HA 0.332 4.682 4.350 -0.000 0.000 0.263 257 E C -0.203 176.396 176.600 -0.003 0.000 1.000 257 E CA 0.638 57.029 56.400 -0.014 0.000 0.914 257 E CB 0.792 30.475 29.700 -0.028 0.000 0.948 257 E HN 0.196 nan 8.360 nan 0.000 0.444 258 K N 2.082 122.497 120.400 0.025 0.000 2.557 258 K HA 0.155 4.474 4.320 -0.000 0.000 0.261 258 K C -1.168 175.475 176.600 0.071 0.000 0.932 258 K CA -0.923 55.387 56.287 0.038 0.000 0.829 258 K CB 1.576 34.071 32.500 -0.008 0.000 1.358 258 K HN 0.547 nan 8.250 nan 0.000 0.430 259 N N 0.459 119.180 118.700 0.035 0.000 2.513 259 N HA 0.096 4.836 4.740 -0.000 0.000 0.274 259 N C 0.342 175.887 175.510 0.060 0.000 1.189 259 N CA -0.396 52.664 53.050 0.016 0.000 0.975 259 N CB 0.502 38.982 38.487 -0.011 0.000 1.157 259 N HN 0.366 nan 8.380 nan 0.000 0.465 260 N N 0.834 119.541 118.700 0.010 0.000 2.137 260 N HA -0.207 4.533 4.740 -0.000 0.000 0.190 260 N C 1.143 176.707 175.510 0.090 0.000 1.017 260 N CA 1.162 54.218 53.050 0.011 0.000 0.859 260 N CB -0.309 38.014 38.487 -0.274 0.000 1.002 260 N HN 0.653 nan 8.380 nan 0.000 0.428 261 K N 1.736 122.147 120.400 0.018 0.000 2.026 261 K HA -0.152 4.167 4.320 -0.000 0.000 0.208 261 K C 1.808 178.403 176.600 -0.008 0.000 1.048 261 K CA 1.500 57.778 56.287 -0.016 0.000 0.929 261 K CB -0.275 32.227 32.500 0.004 0.000 0.713 261 K HN 0.518 nan 8.250 nan 0.000 0.439 262 E N -0.383 119.830 120.200 0.021 0.000 2.150 262 E HA -0.119 4.231 4.350 -0.000 0.000 0.193 262 E C 1.813 178.431 176.600 0.030 0.000 0.985 262 E CA 1.267 57.681 56.400 0.023 0.000 0.814 262 E CB -0.325 29.393 29.700 0.029 0.000 0.752 262 E HN 0.058 nan 8.360 nan 0.000 0.466 263 V N 1.432 121.384 119.914 0.063 0.000 2.307 263 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 263 V C 2.373 178.439 176.094 -0.045 0.000 1.045 263 V CA 1.573 63.904 62.300 0.052 0.000 1.024 263 V CB -0.489 31.403 31.823 0.114 0.000 0.651 263 V HN 0.251 nan 8.190 nan 0.000 0.449 264 L N 0.475 121.678 121.223 -0.033 0.000 2.046 264 L HA -0.157 4.182 4.340 -0.000 0.000 0.208 264 L C 2.342 179.120 176.870 -0.154 0.000 1.077 264 L CA 1.918 56.661 54.840 -0.161 0.000 0.747 264 L CB -0.813 41.128 42.059 -0.197 0.000 0.896 264 L HN 0.394 nan 8.230 nan 0.000 0.432 265 E N -0.782 119.354 120.200 -0.107 0.000 2.110 265 E HA -0.239 4.111 4.350 -0.000 0.000 0.193 265 E C 2.110 178.681 176.600 -0.048 0.000 0.988 265 E CA 1.244 57.606 56.400 -0.064 0.000 0.804 265 E CB -0.281 29.404 29.700 -0.026 0.000 0.745 265 E HN 0.395 nan 8.360 nan 0.000 0.458 266 L N 1.051 122.247 121.223 -0.045 0.000 2.056 266 L HA -0.120 4.220 4.340 -0.000 0.000 0.207 266 L C 2.002 178.818 176.870 -0.089 0.000 1.078 266 L CA 1.396 56.210 54.840 -0.044 0.000 0.749 266 L CB -0.174 41.878 42.059 -0.011 0.000 0.901 266 L HN 0.103 nan 8.230 nan 0.000 0.433 267 I N -1.244 119.246 120.570 -0.133 0.000 2.179 267 I HA -0.336 3.834 4.170 -0.000 0.000 0.242 267 I C 2.364 178.410 176.117 -0.119 0.000 1.088 267 I CA 1.309 62.509 61.300 -0.167 0.000 1.357 267 I CB -0.328 37.525 38.000 -0.245 0.000 1.051 267 I HN 0.238 nan 8.210 nan 0.000 0.409 268 L N 0.409 121.573 121.223 -0.098 0.000 2.012 268 L HA -0.263 4.077 4.340 -0.000 0.000 0.210 268 L C 2.700 179.547 176.870 -0.038 0.000 1.073 268 L CA 1.696 56.502 54.840 -0.056 0.000 0.748 268 L CB -0.684 41.360 42.059 -0.025 0.000 0.891 268 L HN 0.347 nan 8.230 nan 0.000 0.431 269 E N 0.752 120.931 120.200 -0.035 0.000 2.051 269 E HA -0.261 4.089 4.350 -0.000 0.000 0.192 269 E C 2.124 178.706 176.600 -0.030 0.000 0.991 269 E CA 1.394 57.780 56.400 -0.023 0.000 0.799 269 E CB 0.063 29.752 29.700 -0.018 0.000 0.748 269 E HN 0.419 nan 8.360 nan 0.000 0.449 270 K N -0.346 120.026 120.400 -0.046 0.000 2.209 270 K HA -0.058 4.262 4.320 -0.000 0.000 0.204 270 K C 1.835 178.411 176.600 -0.040 0.000 1.048 270 K CA 1.274 57.532 56.287 -0.048 0.000 0.940 270 K CB -0.020 32.437 32.500 -0.072 0.000 0.729 270 K HN 0.273 nan 8.250 nan 0.000 0.451 271 M N -0.215 119.358 119.600 -0.045 0.000 2.453 271 M HA 0.130 4.610 4.480 -0.000 0.000 0.239 271 M C 0.421 176.708 176.300 -0.021 0.000 1.151 271 M CA 0.120 55.400 55.300 -0.034 0.000 0.989 271 M CB 0.883 33.454 32.600 -0.048 0.000 1.548 271 M HN 0.307 nan 8.290 nan 0.000 0.479 272 G N 1.283 110.073 108.800 -0.017 0.000 2.221 272 G HA2 -0.194 3.766 3.960 -0.000 0.000 0.265 272 G HA3 -0.194 3.766 3.960 -0.000 0.000 0.265 272 G C -0.170 174.727 174.900 -0.005 0.000 1.041 272 G CA 0.020 45.114 45.100 -0.009 0.000 0.807 272 G HN 0.457 nan 8.290 nan 0.000 0.502 273 Q N -0.724 119.072 119.800 -0.006 0.000 2.248 273 Q HA 0.491 4.831 4.340 -0.000 0.000 0.263 273 Q C -2.311 173.696 176.000 0.011 0.000 1.007 273 Q CA -1.785 54.019 55.803 0.002 0.000 0.877 273 Q CB 1.457 30.195 28.738 -0.001 0.000 1.315 273 Q HN 0.173 nan 8.270 nan 0.000 0.454 274 P HA 0.007 nan 4.420 nan 0.000 0.269 274 P C 0.375 177.703 177.300 0.047 0.000 1.209 274 P CA 0.054 63.168 63.100 0.024 0.000 0.776 274 P CB 0.541 32.251 31.700 0.017 0.000 0.876 275 K N 1.544 121.976 120.400 0.053 0.000 2.281 275 K HA -0.163 4.157 4.320 -0.000 0.000 0.203 275 K C 0.267 176.966 176.600 0.165 0.000 1.046 275 K CA 1.644 57.982 56.287 0.086 0.000 0.938 275 K CB -0.384 32.157 32.500 0.069 0.000 0.737 275 K HN 0.389 nan 8.250 nan 0.000 0.458 276 D N 0.450 120.913 120.400 0.105 0.000 2.462 276 D HA 0.128 4.768 4.640 -0.000 0.000 0.221 276 D C 0.013 176.268 176.300 -0.075 0.000 1.173 276 D CA -0.390 53.631 54.000 0.035 0.000 0.831 276 D CB 0.498 41.278 40.800 -0.033 0.000 1.001 276 D HN 0.252 nan 8.370 nan 0.000 0.499 277 A N 0.882 123.735 122.820 0.055 0.000 3.091 277 A HA 0.484 4.804 4.320 -0.000 0.000 0.264 277 A C -0.858 176.783 177.584 0.095 0.000 1.673 277 A CA -0.531 51.519 52.037 0.021 0.000 1.362 277 A CB -1.274 17.745 19.000 0.031 0.000 1.137 277 A HN 0.453 nan 8.150 nan 0.000 0.617 278 Y N -2.200 118.065 120.300 -0.058 0.000 2.689 278 Y HA 0.692 5.242 4.550 -0.000 0.000 0.333 278 Y C -1.568 174.273 175.900 -0.097 0.000 1.208 278 Y CA -1.908 56.143 58.100 -0.082 0.000 1.055 278 Y CB 0.826 39.221 38.460 -0.109 0.000 1.304 278 Y HN 0.128 nan 8.280 nan 0.000 0.455 279 D N 0.700 121.147 120.400 0.079 0.000 2.350 279 D HA 0.255 4.895 4.640 -0.000 0.000 0.245 279 D C -0.931 175.435 176.300 0.109 0.000 1.036 279 D CA -0.402 53.603 54.000 0.008 0.000 0.848 279 D CB 1.355 42.184 40.800 0.048 0.000 1.307 279 D HN 0.616 nan 8.370 nan 0.000 0.469 280 H N 0.195 119.358 119.070 0.156 0.000 2.548 280 H HA 0.397 4.953 4.556 -0.000 0.000 0.331 280 H C 0.182 175.583 175.328 0.122 0.000 1.093 280 H CA -0.403 55.760 56.048 0.192 0.000 1.367 280 H CB 1.725 31.570 29.762 0.138 0.000 1.455 280 H HN 0.165 nan 8.280 nan 0.000 0.519 281 V N 0.127 120.182 119.914 0.235 0.000 3.141 281 V HA 0.381 4.501 4.120 -0.000 0.000 0.312 281 V C 0.306 176.420 176.094 0.033 0.000 1.157 281 V CA -1.126 61.245 62.300 0.118 0.000 1.041 281 V CB 1.544 33.423 31.823 0.094 0.000 1.071 281 V HN 0.744 nan 8.190 nan 0.000 0.441 282 T N 2.618 117.147 114.554 -0.043 0.000 2.819 282 T HA -0.012 4.338 4.350 -0.000 0.000 0.282 282 T C -0.053 174.503 174.700 -0.241 0.000 1.013 282 T CA 0.870 62.908 62.100 -0.104 0.000 1.159 282 T CB -0.545 68.258 68.868 -0.107 0.000 1.007 282 T HN 0.920 nan 8.240 nan 0.000 0.514 283 D N 1.446 121.758 120.400 -0.147 0.000 2.357 283 D HA 0.101 4.741 4.640 -0.000 0.000 0.242 283 D C 0.571 176.726 176.300 -0.241 0.000 1.153 283 D CA -0.571 53.337 54.000 -0.153 0.000 0.918 283 D CB 0.655 41.474 40.800 0.033 0.000 1.181 283 D HN 0.411 nan 8.370 nan 0.000 0.435 284 R N 1.044 121.382 120.500 -0.270 0.000 2.438 284 R HA 0.419 4.758 4.340 -0.000 0.000 0.287 284 R C -0.646 175.609 176.300 -0.076 0.000 1.077 284 R CA -0.652 55.301 56.100 -0.245 0.000 1.034 284 R CB 0.537 30.631 30.300 -0.344 0.000 0.993 284 R HN 0.389 nan 8.270 nan 0.000 0.459 285 A N 2.861 125.638 122.820 -0.071 0.000 2.492 285 A HA 0.343 4.662 4.320 -0.000 0.000 0.254 285 A C 1.200 178.789 177.584 0.008 0.000 1.091 285 A CA 0.557 52.578 52.037 -0.026 0.000 0.768 285 A CB -0.129 18.847 19.000 -0.039 0.000 1.028 285 A HN 1.132 nan 8.150 nan 0.000 0.498 286 G N 1.499 110.320 108.800 0.035 0.000 2.166 286 G HA2 -0.305 3.655 3.960 -0.000 0.000 0.260 286 G HA3 -0.305 3.655 3.960 -0.000 0.000 0.260 286 G C 0.289 175.255 174.900 0.111 0.000 0.986 286 G CA 0.744 45.876 45.100 0.053 0.000 0.683 286 G HN 1.414 nan 8.290 nan 0.000 0.527 287 H N 1.197 120.270 119.070 0.004 0.000 3.209 287 H HA 0.089 4.645 4.556 -0.000 0.000 0.297 287 H C -0.069 175.248 175.328 -0.018 0.000 0.936 287 H CA -0.060 55.993 56.048 0.009 0.000 1.392 287 H CB 0.404 30.175 29.762 0.015 0.000 1.349 287 H HN 0.241 nan 8.280 nan 0.000 0.568 288 D N 4.841 125.361 120.400 0.200 0.000 2.390 288 D HA -0.068 4.572 4.640 -0.000 0.000 0.249 288 D C 0.986 177.105 176.300 -0.302 0.000 1.144 288 D CA -0.217 53.760 54.000 -0.038 0.000 0.880 288 D CB 1.486 42.270 40.800 -0.027 0.000 1.182 288 D HN 0.399 nan 8.370 nan 0.000 0.451 289 L N 3.720 124.792 121.223 -0.251 0.000 1.938 289 L HA -0.011 4.329 4.340 -0.000 0.000 0.212 289 L C 0.821 177.487 176.870 -0.339 0.000 1.085 289 L CA 1.667 56.335 54.840 -0.287 0.000 0.760 289 L CB -0.022 41.938 42.059 -0.165 0.000 0.888 289 L HN 0.407 nan 8.230 nan 0.000 0.433 290 R N -1.204 119.134 120.500 -0.270 0.000 2.686 290 R HA 0.363 4.703 4.340 -0.000 0.000 0.286 290 R C -1.906 174.284 176.300 -0.183 0.000 0.969 290 R CA -0.632 55.311 56.100 -0.260 0.000 0.898 290 R CB 1.159 31.355 30.300 -0.172 0.000 1.183 290 R HN 0.099 nan 8.270 nan 0.000 0.456 291 Y N 1.234 121.460 120.300 -0.124 0.000 2.429 291 Y HA 0.772 5.322 4.550 -0.000 0.000 0.342 291 Y C -0.270 175.462 175.900 -0.281 0.000 1.004 291 Y CA -1.085 56.934 58.100 -0.135 0.000 1.075 291 Y CB 2.554 41.046 38.460 0.052 0.000 1.214 291 Y HN 0.781 nan 8.280 nan 0.000 0.455 292 A N 3.589 126.205 122.820 -0.340 0.000 2.513 292 A HA 0.735 5.055 4.320 -0.000 0.000 0.296 292 A C -1.929 175.520 177.584 -0.226 0.000 1.052 292 A CA -0.541 51.346 52.037 -0.250 0.000 0.714 292 A CB 1.002 19.842 19.000 -0.268 0.000 1.279 292 A HN 0.504 nan 8.150 nan 0.000 0.397 293 I N 2.217 122.772 120.570 -0.025 0.000 2.404 293 I HA 0.350 4.520 4.170 -0.000 0.000 0.293 293 I C -0.820 175.329 176.117 0.054 0.000 0.992 293 I CA -0.237 61.102 61.300 0.065 0.000 1.149 293 I CB 1.897 39.966 38.000 0.115 0.000 1.315 293 I HN 0.760 nan 8.210 nan 0.000 0.446 294 D N 5.730 126.163 120.400 0.056 0.000 2.412 294 D HA 0.409 5.049 4.640 -0.000 0.000 0.224 294 D C 0.255 176.610 176.300 0.091 0.000 1.093 294 D CA -0.335 53.701 54.000 0.060 0.000 0.850 294 D CB 1.479 42.300 40.800 0.034 0.000 1.046 294 D HN 0.589 nan 8.370 nan 0.000 0.507 295 A N 3.100 125.999 122.820 0.132 0.000 2.532 295 A HA 0.160 4.480 4.320 -0.000 0.000 0.273 295 A C 1.815 179.512 177.584 0.188 0.000 1.342 295 A CA -0.241 51.900 52.037 0.173 0.000 0.929 295 A CB -0.119 19.038 19.000 0.262 0.000 1.051 295 A HN 0.483 nan 8.150 nan 0.000 0.521 296 S N 0.363 116.146 115.700 0.138 0.000 2.383 296 S HA -0.197 4.273 4.470 -0.000 0.000 0.229 296 S C 2.005 176.689 174.600 0.141 0.000 1.030 296 S CA 1.778 60.054 58.200 0.128 0.000 1.002 296 S CB -0.136 63.117 63.200 0.088 0.000 0.829 296 S HN 0.777 nan 8.310 nan 0.000 0.467 297 K N 0.730 121.210 120.400 0.134 0.000 2.002 297 K HA -0.113 4.207 4.320 -0.000 0.000 0.209 297 K C 2.170 178.910 176.600 0.234 0.000 1.048 297 K CA 1.286 57.661 56.287 0.147 0.000 0.930 297 K CB -0.304 32.254 32.500 0.097 0.000 0.714 297 K HN 0.243 nan 8.250 nan 0.000 0.438 298 L N 1.578 122.963 121.223 0.271 0.000 2.046 298 L HA -0.128 4.212 4.340 -0.000 0.000 0.208 298 L C 2.167 179.207 176.870 0.283 0.000 1.077 298 L CA 1.560 56.561 54.840 0.267 0.000 0.747 298 L CB -0.364 41.771 42.059 0.126 0.000 0.896 298 L HN 0.116 nan 8.230 nan 0.000 0.432 299 R N -0.419 120.270 120.500 0.315 0.000 2.062 299 R HA -0.172 4.168 4.340 -0.000 0.000 0.231 299 R C 2.089 178.503 176.300 0.191 0.000 1.136 299 R CA 1.585 57.855 56.100 0.285 0.000 0.948 299 R CB -0.653 29.787 30.300 0.234 0.000 0.845 299 R HN 0.489 nan 8.270 nan 0.000 0.430 300 D N 0.632 121.129 120.400 0.162 0.000 2.084 300 D HA -0.172 4.468 4.640 -0.000 0.000 0.194 300 D C 1.521 177.897 176.300 0.127 0.000 0.990 300 D CA 1.561 55.636 54.000 0.125 0.000 0.826 300 D CB 0.095 40.959 40.800 0.108 0.000 0.971 300 D HN 0.246 nan 8.370 nan 0.000 0.453 301 E N -0.778 119.515 120.200 0.154 0.000 2.076 301 E HA 0.027 4.377 4.350 -0.000 0.000 0.190 301 E C 1.871 178.550 176.600 0.133 0.000 0.979 301 E CA 0.539 57.031 56.400 0.152 0.000 0.807 301 E CB 0.199 30.026 29.700 0.213 0.000 0.761 301 E HN 0.365 nan 8.360 nan 0.000 0.454 302 L N -0.986 120.318 121.223 0.136 0.000 2.766 302 L HA 0.319 4.659 4.340 -0.000 0.000 0.242 302 L C 1.212 178.170 176.870 0.147 0.000 1.136 302 L CA 0.230 55.133 54.840 0.104 0.000 0.933 302 L CB 0.566 42.638 42.059 0.023 0.000 1.241 302 L HN 0.255 nan 8.230 nan 0.000 0.522 303 G N 0.229 109.128 108.800 0.165 0.000 2.155 303 G HA2 -0.327 3.632 3.960 -0.000 0.000 0.257 303 G HA3 -0.327 3.632 3.960 -0.000 0.000 0.257 303 G C -0.041 174.975 174.900 0.193 0.000 0.983 303 G CA 0.160 45.351 45.100 0.152 0.000 0.676 303 G HN 0.456 nan 8.290 nan 0.000 0.528 304 W N 2.120 123.455 121.300 0.058 0.000 2.210 304 W HA 0.519 5.179 4.660 -0.000 0.000 0.330 304 W C 0.713 177.276 176.519 0.073 0.000 1.334 304 W CA 0.611 57.996 57.345 0.067 0.000 1.227 304 W CB 0.769 30.263 29.460 0.057 0.000 1.178 304 W HN 0.643 nan 8.180 nan 0.000 0.560 305 T N 5.823 119.935 114.554 -0.736 0.000 2.928 305 T HA 0.476 4.826 4.350 -0.000 0.000 0.296 305 T C -2.602 171.471 174.700 -1.046 0.000 1.000 305 T CA -2.072 59.564 62.100 -0.773 0.000 0.989 305 T CB 1.819 70.496 68.868 -0.318 0.000 1.005 305 T HN 0.378 nan 8.240 nan 0.000 0.442 306 P HA 0.256 nan 4.420 nan 0.000 0.271 306 P C -0.060 177.115 177.300 -0.209 0.000 1.216 306 P CA -0.263 62.521 63.100 -0.527 0.000 0.776 306 P CB 1.137 32.685 31.700 -0.252 0.000 0.881 307 Q N 0.815 120.591 119.800 -0.040 0.000 2.392 307 Q HA 0.152 4.492 4.340 -0.000 0.000 0.219 307 Q C 0.145 175.991 176.000 -0.256 0.000 0.895 307 Q CA 0.820 56.524 55.803 -0.165 0.000 0.929 307 Q CB 0.120 28.704 28.738 -0.256 0.000 1.077 307 Q HN 0.506 nan 8.270 nan 0.000 0.532 308 F N 1.811 121.764 119.950 0.004 0.000 2.508 308 F HA 0.190 4.716 4.527 -0.000 0.000 0.329 308 F C 1.176 177.062 175.800 0.144 0.000 1.198 308 F CA -0.191 57.834 58.000 0.042 0.000 1.268 308 F CB 0.349 39.339 39.000 -0.017 0.000 1.584 308 F HN -0.112 nan 8.300 nan 0.000 0.570 309 T N -4.299 110.373 114.554 0.197 0.000 3.107 309 T HA -0.007 4.343 4.350 -0.000 0.000 0.249 309 T C 0.400 175.232 174.700 0.221 0.000 1.096 309 T CA -0.059 62.165 62.100 0.207 0.000 1.012 309 T CB -0.099 68.835 68.868 0.110 0.000 0.977 309 T HN 0.174 nan 8.240 nan 0.000 0.527 310 D N 0.716 121.240 120.400 0.207 0.000 2.456 310 D HA 0.192 4.832 4.640 -0.000 0.000 0.219 310 D C 0.391 176.851 176.300 0.266 0.000 1.126 310 D CA -1.238 52.875 54.000 0.189 0.000 0.890 310 D CB 0.140 41.003 40.800 0.104 0.000 1.025 310 D HN 0.084 nan 8.370 nan 0.000 0.511 311 F N 3.123 123.161 119.950 0.147 0.000 2.134 311 F HA -0.172 4.354 4.527 -0.000 0.000 0.299 311 F C 2.306 178.134 175.800 0.046 0.000 1.097 311 F CA 1.471 59.541 58.000 0.116 0.000 1.264 311 F CB -0.214 38.815 39.000 0.048 0.000 1.001 311 F HN 0.379 nan 8.300 nan 0.000 0.479 312 S N -0.387 115.329 115.700 0.027 0.000 2.370 312 S HA -0.291 4.179 4.470 -0.000 0.000 0.226 312 S C 2.182 176.715 174.600 -0.112 0.000 1.033 312 S CA 1.793 59.940 58.200 -0.089 0.000 1.011 312 S CB -0.583 62.625 63.200 0.014 0.000 0.852 312 S HN 0.669 nan 8.310 nan 0.000 0.457 313 E N -0.393 119.796 120.200 -0.019 0.000 2.107 313 E HA -0.021 4.329 4.350 -0.000 0.000 0.191 313 E C 2.138 178.761 176.600 0.038 0.000 0.982 313 E CA 0.897 57.304 56.400 0.011 0.000 0.809 313 E CB -0.644 29.082 29.700 0.044 0.000 0.756 313 E HN 0.602 nan 8.360 nan 0.000 0.459 314 G N 1.388 110.244 108.800 0.093 0.000 2.418 314 G HA2 -0.256 3.704 3.960 -0.000 0.000 0.217 314 G HA3 -0.256 3.704 3.960 -0.000 0.000 0.217 314 G C 1.493 176.479 174.900 0.144 0.000 1.158 314 G CA 0.793 46.047 45.100 0.256 0.000 0.771 314 G HN 0.294 nan 8.290 nan 0.000 0.545 315 L N 0.624 121.682 121.223 -0.275 0.000 2.093 315 L HA 0.096 4.435 4.340 -0.000 0.000 0.208 315 L C 2.571 179.336 176.870 -0.175 0.000 1.085 315 L CA 2.272 56.859 54.840 -0.421 0.000 0.755 315 L CB -0.496 41.038 42.059 -0.876 0.000 0.904 315 L HN 0.282 nan 8.230 nan 0.000 0.435 316 E N 0.137 120.261 120.200 -0.126 0.000 2.077 316 E HA -0.242 4.108 4.350 -0.000 0.000 0.193 316 E C 2.055 178.663 176.600 0.014 0.000 0.989 316 E CA 1.820 58.188 56.400 -0.053 0.000 0.800 316 E CB -0.149 29.529 29.700 -0.036 0.000 0.746 316 E HN 0.631 nan 8.360 nan 0.000 0.452 317 E N -0.934 119.298 120.200 0.054 0.000 2.150 317 E HA -0.105 4.245 4.350 -0.000 0.000 0.193 317 E C 1.932 178.619 176.600 0.145 0.000 0.985 317 E CA 1.412 57.873 56.400 0.101 0.000 0.814 317 E CB 0.002 29.775 29.700 0.120 0.000 0.752 317 E HN 0.269 nan 8.360 nan 0.000 0.466 318 T N 1.276 115.920 114.554 0.150 0.000 2.812 318 T HA -0.071 4.279 4.350 -0.000 0.000 0.264 318 T C 1.968 176.831 174.700 0.272 0.000 1.042 318 T CA 0.678 62.901 62.100 0.206 0.000 1.140 318 T CB -0.106 68.883 68.868 0.202 0.000 0.870 318 T HN 0.101 nan 8.240 nan 0.000 0.445 319 I N 1.031 121.676 120.570 0.125 0.000 2.208 319 I HA -0.215 3.955 4.170 -0.000 0.000 0.245 319 I C 2.796 179.001 176.117 0.147 0.000 1.097 319 I CA 1.242 62.600 61.300 0.097 0.000 1.363 319 I CB -0.306 37.687 38.000 -0.012 0.000 1.051 319 I HN 0.190 nan 8.210 nan 0.000 0.413 320 Q N 0.108 119.979 119.800 0.119 0.000 2.167 320 Q HA -0.250 4.090 4.340 -0.000 0.000 0.202 320 Q C 1.859 177.917 176.000 0.096 0.000 0.970 320 Q CA 1.731 57.588 55.803 0.090 0.000 0.855 320 Q CB -0.422 28.356 28.738 0.067 0.000 0.911 320 Q HN 0.562 nan 8.270 nan 0.000 0.438 321 W N -0.692 120.584 121.300 -0.041 0.000 2.381 321 W HA -0.205 4.455 4.660 -0.000 0.000 0.301 321 W C 1.267 177.668 176.519 -0.196 0.000 1.205 321 W CA 1.559 58.800 57.345 -0.173 0.000 1.285 321 W CB -0.347 28.930 29.460 -0.305 0.000 1.133 321 W HN 0.212 nan 8.180 nan 0.000 0.521 322 Y N -0.152 120.245 120.300 0.161 0.000 2.352 322 Y HA -0.178 4.372 4.550 -0.000 0.000 0.292 322 Y C 2.628 178.615 175.900 0.145 0.000 1.136 322 Y CA 1.990 60.170 58.100 0.134 0.000 1.227 322 Y CB -0.819 37.698 38.460 0.095 0.000 0.991 322 Y HN -0.181 nan 8.280 nan 0.000 0.545 323 T N -0.899 113.759 114.554 0.173 0.000 2.896 323 T HA -0.116 4.234 4.350 -0.000 0.000 0.263 323 T C 1.075 175.766 174.700 -0.015 0.000 1.050 323 T CA 1.471 63.639 62.100 0.112 0.000 1.140 323 T CB -0.172 68.737 68.868 0.069 0.000 0.877 323 T HN 0.258 nan 8.240 nan 0.000 0.457 324 D N 1.358 121.676 120.400 -0.136 0.000 2.347 324 D HA 0.050 4.690 4.640 -0.000 0.000 0.213 324 D C 0.698 176.791 176.300 -0.344 0.000 0.985 324 D CA 0.534 54.404 54.000 -0.218 0.000 0.879 324 D CB 0.002 40.664 40.800 -0.231 0.000 0.919 324 D HN 0.313 nan 8.370 nan 0.000 0.526 325 N N 0.985 119.395 118.700 -0.483 0.000 2.644 325 N HA 0.093 4.833 4.740 -0.000 0.000 0.313 325 N C 0.717 176.024 175.510 -0.338 0.000 1.863 325 N CA -0.015 52.700 53.050 -0.558 0.000 0.918 325 N CB 1.086 38.840 38.487 -1.221 0.000 1.320 325 N HN 0.175 nan 8.380 nan 0.000 0.490 326 Q N -0.046 119.573 119.800 -0.300 0.000 2.224 326 Q HA -0.093 4.247 4.340 -0.000 0.000 0.203 326 Q C 0.439 175.969 176.000 -0.784 0.000 0.970 326 Q CA 1.042 56.463 55.803 -0.636 0.000 0.865 326 Q CB 0.215 28.685 28.738 -0.446 0.000 0.922 326 Q HN 0.245 nan 8.270 nan 0.000 0.445 327 D N -0.473 119.687 120.400 -0.401 0.000 2.310 327 D HA -0.137 4.503 4.640 -0.000 0.000 0.212 327 D C 1.115 177.308 176.300 -0.179 0.000 0.965 327 D CA 0.501 54.330 54.000 -0.284 0.000 0.879 327 D CB -0.188 40.513 40.800 -0.164 0.000 0.921 327 D HN 0.377 nan 8.370 nan 0.000 0.510 328 W N 0.647 121.759 121.300 -0.313 0.000 2.467 328 W HA -0.095 4.565 4.660 -0.000 0.000 0.275 328 W C 1.467 178.001 176.519 0.026 0.000 1.239 328 W CA 0.973 58.254 57.345 -0.108 0.000 1.266 328 W CB -0.007 29.403 29.460 -0.082 0.000 1.112 328 W HN 0.146 nan 8.180 nan 0.000 0.576 329 W N 0.778 122.130 121.300 0.087 0.000 2.741 329 W HA 0.250 4.910 4.660 -0.000 0.000 0.317 329 W C 1.677 178.168 176.519 -0.047 0.000 1.029 329 W CA 0.470 57.784 57.345 -0.052 0.000 1.511 329 W CB -0.874 28.706 29.460 0.199 0.000 1.025 329 W HN -0.019 nan 8.180 nan 0.000 0.554 330 K N 1.934 122.044 120.400 -0.483 0.000 2.152 330 K HA -0.065 4.255 4.320 -0.000 0.000 0.206 330 K C 2.028 178.580 176.600 -0.080 0.000 1.048 330 K CA 2.111 58.181 56.287 -0.361 0.000 0.933 330 K CB -0.784 31.396 32.500 -0.533 0.000 0.721 330 K HN -0.022 nan 8.250 nan 0.000 0.447 331 A N 1.183 123.947 122.820 -0.093 0.000 2.172 331 A HA -0.098 4.222 4.320 -0.000 0.000 0.216 331 A C 1.395 178.979 177.584 -0.000 0.000 1.154 331 A CA 1.221 53.229 52.037 -0.048 0.000 0.701 331 A CB -0.228 18.731 19.000 -0.069 0.000 0.789 331 A HN 0.542 nan 8.150 nan 0.000 0.465 332 E N -1.298 118.922 120.200 0.033 0.000 2.447 332 E HA 0.001 4.351 4.350 -0.000 0.000 0.204 332 E C 1.685 178.349 176.600 0.106 0.000 0.977 332 E CA 0.175 56.608 56.400 0.055 0.000 0.950 332 E CB 0.188 29.887 29.700 -0.002 0.000 0.975 332 E HN 0.366 nan 8.360 nan 0.000 0.496 333 K N 2.257 122.764 120.400 0.178 0.000 2.020 333 K HA -0.253 4.067 4.320 -0.000 0.000 0.212 333 K C 1.883 178.563 176.600 0.133 0.000 1.050 333 K CA 1.922 58.327 56.287 0.196 0.000 0.929 333 K CB -0.135 32.554 32.500 0.315 0.000 0.714 333 K HN 0.095 nan 8.250 nan 0.000 0.443 334 E N -0.857 119.406 120.200 0.106 0.000 2.077 334 E HA -0.189 4.161 4.350 -0.000 0.000 0.193 334 E C 1.766 178.409 176.600 0.073 0.000 0.989 334 E CA 1.204 57.653 56.400 0.081 0.000 0.800 334 E CB -0.257 29.479 29.700 0.060 0.000 0.746 334 E HN 0.408 nan 8.360 nan 0.000 0.452 335 A N 0.401 123.260 122.820 0.065 0.000 1.898 335 A HA -0.120 4.200 4.320 -0.000 0.000 0.216 335 A C 2.384 179.997 177.584 0.049 0.000 1.181 335 A CA 1.379 53.446 52.037 0.050 0.000 0.620 335 A CB -0.555 18.472 19.000 0.045 0.000 0.819 335 A HN 0.228 nan 8.150 nan 0.000 0.442 336 V N 0.260 120.221 119.914 0.079 0.000 2.307 336 V HA -0.179 3.941 4.120 -0.000 0.000 0.245 336 V C 2.509 178.684 176.094 0.136 0.000 1.045 336 V CA 2.015 64.365 62.300 0.082 0.000 1.024 336 V CB -0.677 31.237 31.823 0.153 0.000 0.651 336 V HN 0.502 nan 8.190 nan 0.000 0.449 337 E N 0.395 120.701 120.200 0.177 0.000 2.150 337 E HA -0.130 4.220 4.350 -0.000 0.000 0.193 337 E C 2.312 179.013 176.600 0.168 0.000 0.985 337 E CA 1.382 57.914 56.400 0.220 0.000 0.814 337 E CB -0.449 29.342 29.700 0.151 0.000 0.752 337 E HN 0.575 nan 8.360 nan 0.000 0.466 338 A N 1.453 124.334 122.820 0.101 0.000 1.930 338 A HA -0.201 4.119 4.320 -0.000 0.000 0.217 338 A C 2.063 179.678 177.584 0.051 0.000 1.175 338 A CA 1.708 53.787 52.037 0.070 0.000 0.627 338 A CB -0.626 18.401 19.000 0.046 0.000 0.815 338 A HN 0.244 nan 8.150 nan 0.000 0.443 339 N N -1.315 117.392 118.700 0.012 0.000 2.120 339 N HA -0.165 4.575 4.740 -0.000 0.000 0.188 339 N C 1.509 177.002 175.510 -0.029 0.000 1.024 339 N CA 1.783 54.799 53.050 -0.057 0.000 0.852 339 N CB -0.469 37.919 38.487 -0.164 0.000 1.003 339 N HN 0.603 nan 8.380 nan 0.000 0.424 340 Y N 0.067 120.398 120.300 0.051 0.000 2.224 340 Y HA -0.084 4.466 4.550 -0.000 0.000 0.289 340 Y C 2.337 178.260 175.900 0.038 0.000 1.146 340 Y CA 0.836 58.972 58.100 0.060 0.000 1.182 340 Y CB -0.177 38.339 38.460 0.095 0.000 0.983 340 Y HN 0.176 nan 8.280 nan 0.000 0.524 341 A N 0.192 123.126 122.820 0.191 0.000 2.125 341 A HA -0.202 4.118 4.320 -0.000 0.000 0.219 341 A C 2.004 179.632 177.584 0.074 0.000 1.156 341 A CA 1.431 53.536 52.037 0.114 0.000 0.671 341 A CB -0.441 18.611 19.000 0.087 0.000 0.794 341 A HN 0.420 nan 8.150 nan 0.000 0.459 342 K N -0.830 119.608 120.400 0.063 0.000 2.288 342 K HA -0.069 4.251 4.320 -0.000 0.000 0.201 342 K C 1.431 178.048 176.600 0.029 0.000 1.048 342 K CA 1.584 57.891 56.287 0.033 0.000 0.956 342 K CB -0.038 32.470 32.500 0.014 0.000 0.746 342 K HN 0.714 nan 8.250 nan 0.000 0.461 343 T N -3.273 111.309 114.554 0.046 0.000 3.041 343 T HA 0.145 4.495 4.350 -0.000 0.000 0.276 343 T C 0.211 174.919 174.700 0.014 0.000 0.948 343 T CA -0.531 61.583 62.100 0.024 0.000 0.885 343 T CB 0.415 69.292 68.868 0.015 0.000 1.175 343 T HN -0.075 nan 8.240 nan 0.000 0.529 344 Q N 1.493 121.320 119.800 0.044 0.000 2.356 344 Q HA 0.612 4.952 4.340 -0.000 0.000 0.270 344 Q C -1.105 174.910 176.000 0.025 0.000 1.058 344 Q CA -0.798 55.011 55.803 0.010 0.000 0.802 344 Q CB 2.472 31.216 28.738 0.010 0.000 1.303 344 Q HN 0.667 nan 8.270 nan 0.000 0.444 345 E N -0.181 120.025 120.200 0.010 0.000 2.416 345 E HA 0.541 4.891 4.350 -0.000 0.000 0.273 345 E C -1.002 175.616 176.600 0.030 0.000 0.935 345 E CA -1.022 55.392 56.400 0.023 0.000 0.784 345 E CB 1.380 31.090 29.700 0.017 0.000 1.301 345 E HN 0.198 nan 8.360 nan 0.000 0.454 346 V N 2.221 122.157 119.914 0.038 0.000 2.585 346 V HA 0.071 4.191 4.120 -0.000 0.000 0.296 346 V C 0.441 176.563 176.094 0.048 0.000 1.035 346 V CA 0.077 62.408 62.300 0.051 0.000 1.084 346 V CB 0.168 32.016 31.823 0.042 0.000 0.953 346 V HN 0.546 nan 8.190 nan 0.000 0.483 347 I N 6.753 127.366 120.570 0.072 0.000 2.441 347 I HA 0.422 4.592 4.170 -0.000 0.000 0.287 347 I C 0.323 176.463 176.117 0.039 0.000 1.049 347 I CA 0.176 61.507 61.300 0.052 0.000 1.381 347 I CB 0.458 38.495 38.000 0.062 0.000 1.409 347 I HN 0.831 nan 8.210 nan 0.000 0.523 348 K N 0.000 120.410 120.400 0.016 0.000 2.780 348 K HA 0.000 4.320 4.320 -0.000 0.000 0.191 348 K CA 0.000 56.291 56.287 0.007 0.000 0.838 348 K CB 0.000 32.506 32.500 0.010 0.000 1.064 348 K HN 0.000 nan 8.250 nan 0.000 0.543