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 3gse_1_A DATA FIRST_RESID 3 DATA SEQUENCE QLSGLLGELR QKLCAGFPEQ AGIQQLIFPA PGLVGRQLLE WLTAQTHFPQ DATA SEQUENCE FYWRHRDNHE EAAVCGQTRS FADMKDADDF IQQNPDANGL RIWGLNAFEP DATA SEQUENCE VMVXXXXXXX XXXXXXNAQA SFLFLPRLEI LRRGKKTSLT LNLSSETSLQ DATA SEQUENCE KDALQAITFI DQLMAARALP VLNARIQHSS HTPGYPQWRN LIQQALNDIE DATA SEQUENCE XXXLDKVVLA RTTTLTLNKP LSCAAFMAAS RQVNHRCYHF MLRFDDRQAF DATA SEQUENCE LGSSPERLYL RQQLHLETEA LAGTVSNLDS DPQAAVLADW LMHDEKNQRE DATA SEQUENCE NLLVVDDICQ RLQGGVTAVD VMPPEIIRLR KVQHLRRRIC AQLSRASDTD DATA SEQUENCE CLQRLQPTAA VAGLPREAAR QFIAKHELFS RGWYAGSAGY LSLKRTEFSV DATA SEQUENCE ALRSARVDGQ QIHLYAGAGI VAGSDAEQEW QEIXXXXXXL QSLLEHE 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 0.000 175.993 176.000 -0.012 0.000 1.003 3 Q CA 0.000 55.802 55.803 -0.001 0.000 1.022 3 Q CB 0.000 28.742 28.738 0.006 0.000 1.108 4 L N 1.972 123.181 121.223 -0.024 0.000 2.081 4 L HA -0.230 4.119 4.340 0.016 0.000 0.212 4 L C 2.034 178.889 176.870 -0.025 0.000 1.080 4 L CA 3.019 57.829 54.840 -0.050 0.000 0.754 4 L CB -0.537 41.472 42.059 -0.082 0.000 0.893 4 L HN 0.869 nan 8.230 nan 0.000 0.433 5 S N -1.316 114.388 115.700 0.006 0.000 2.383 5 S HA -0.128 4.352 4.470 0.016 0.000 0.229 5 S C 2.115 176.713 174.600 -0.004 0.000 1.030 5 S CA 0.967 59.176 58.200 0.014 0.000 1.002 5 S CB -1.546 61.669 63.200 0.024 0.000 0.829 5 S HN 0.502 nan 8.310 nan 0.000 0.467 6 G N 1.653 110.448 108.800 -0.008 0.000 2.404 6 G HA2 -0.071 3.898 3.960 0.016 0.000 0.215 6 G HA3 -0.071 3.898 3.960 0.016 0.000 0.215 6 G C 1.367 176.247 174.900 -0.034 0.000 1.174 6 G CA 0.889 45.984 45.100 -0.009 0.000 0.780 6 G HN 0.461 nan 8.290 nan 0.000 0.537 7 L N 0.401 121.593 121.223 -0.051 0.000 2.046 7 L HA 0.091 4.440 4.340 0.016 0.000 0.208 7 L C 2.750 179.485 176.870 -0.225 0.000 1.077 7 L CA 1.298 56.071 54.840 -0.112 0.000 0.747 7 L CB -0.359 41.649 42.059 -0.086 0.000 0.896 7 L HN 0.195 nan 8.230 nan 0.000 0.432 8 L N -1.268 119.871 121.223 -0.139 0.000 2.141 8 L HA -0.111 4.239 4.340 0.016 0.000 0.209 8 L C 2.441 179.248 176.870 -0.104 0.000 1.094 8 L CA 1.079 55.847 54.840 -0.120 0.000 0.763 8 L CB -1.160 40.890 42.059 -0.014 0.000 0.908 8 L HN 0.438 nan 8.230 nan 0.000 0.437 9 G N -0.435 108.323 108.800 -0.069 0.000 2.404 9 G HA2 -0.235 3.735 3.960 0.016 0.000 0.215 9 G HA3 -0.235 3.735 3.960 0.016 0.000 0.215 9 G C 1.402 176.268 174.900 -0.056 0.000 1.174 9 G CA 0.513 45.589 45.100 -0.040 0.000 0.780 9 G HN 0.361 nan 8.290 nan 0.000 0.537 10 E N -0.317 119.831 120.200 -0.087 0.000 2.058 10 E HA -0.144 4.216 4.350 0.016 0.000 0.194 10 E C 2.359 178.860 176.600 -0.165 0.000 0.997 10 E CA 0.978 57.347 56.400 -0.053 0.000 0.801 10 E CB -0.222 29.494 29.700 0.026 0.000 0.746 10 E HN 0.327 nan 8.360 nan 0.000 0.450 11 L N 1.341 122.243 121.223 -0.536 0.000 2.042 11 L HA -0.211 4.138 4.340 0.016 0.000 0.210 11 L C 2.277 179.096 176.870 -0.086 0.000 1.076 11 L CA 1.869 56.390 54.840 -0.532 0.000 0.749 11 L CB -0.359 41.336 42.059 -0.607 0.000 0.893 11 L HN -0.049 nan 8.230 nan 0.000 0.432 12 R N -1.056 119.408 120.500 -0.060 0.000 2.081 12 R HA -0.169 4.181 4.340 0.016 0.000 0.235 12 R C 2.330 178.665 176.300 0.059 0.000 1.131 12 R CA 1.761 57.873 56.100 0.021 0.000 0.960 12 R CB -0.244 30.067 30.300 0.019 0.000 0.856 12 R HN 0.573 nan 8.270 nan 0.000 0.436 13 Q N 0.178 120.008 119.800 0.050 0.000 2.077 13 Q HA -0.238 4.112 4.340 0.016 0.000 0.206 13 Q C 2.091 178.153 176.000 0.105 0.000 0.989 13 Q CA 1.835 57.681 55.803 0.070 0.000 0.853 13 Q CB -0.097 28.680 28.738 0.065 0.000 0.907 13 Q HN 0.272 nan 8.270 nan 0.000 0.418 14 K N 0.670 121.161 120.400 0.152 0.000 2.148 14 K HA -0.104 4.226 4.320 0.016 0.000 0.204 14 K C 2.004 178.758 176.600 0.257 0.000 1.050 14 K CA 0.628 57.035 56.287 0.201 0.000 0.942 14 K CB 0.014 32.709 32.500 0.325 0.000 0.724 14 K HN 0.160 nan 8.250 nan 0.000 0.446 15 L N 0.227 121.612 121.223 0.269 0.000 2.201 15 L HA -0.217 4.133 4.340 0.016 0.000 0.212 15 L C 2.325 179.377 176.870 0.303 0.000 1.105 15 L CA 0.710 55.762 54.840 0.353 0.000 0.775 15 L CB -0.216 41.952 42.059 0.180 0.000 0.913 15 L HN 0.314 nan 8.230 nan 0.000 0.440 16 C N -0.457 118.946 119.300 0.171 0.000 2.481 16 C HA 0.208 4.677 4.460 0.016 0.000 0.275 16 C C 1.810 176.846 174.990 0.077 0.000 1.419 16 C CA -0.366 58.721 59.018 0.116 0.000 1.773 16 C CB -1.175 26.613 27.740 0.078 0.000 1.862 16 C HN 0.458 nan 8.230 nan 0.000 0.530 17 A N 0.618 123.461 122.820 0.038 0.000 2.292 17 A HA 0.536 4.866 4.320 0.016 0.000 0.265 17 A C 0.889 178.389 177.584 -0.140 0.000 1.133 17 A CA 0.450 52.453 52.037 -0.056 0.000 0.807 17 A CB -0.434 18.506 19.000 -0.100 0.000 1.102 17 A HN 0.468 nan 8.150 nan 0.000 0.502 18 G N -1.751 106.928 108.800 -0.201 0.000 2.636 18 G HA2 0.480 4.449 3.960 0.016 0.000 0.246 18 G HA3 0.480 4.449 3.960 0.016 0.000 0.246 18 G C -0.827 173.773 174.900 -0.499 0.000 1.216 18 G CA -0.072 44.919 45.100 -0.183 0.000 0.854 18 G HN 0.406 nan 8.290 nan 0.000 0.572 19 F N -0.811 119.154 119.950 0.025 0.000 2.631 19 F HA 0.438 4.975 4.527 0.015 0.000 0.308 19 F C -2.173 173.639 175.800 0.021 0.000 1.097 19 F CA -1.712 56.303 58.000 0.024 0.000 0.952 19 F CB 2.346 41.362 39.000 0.028 0.000 1.307 19 F HN 0.216 nan 8.300 nan 0.000 0.450 20 P HA 0.058 nan 4.420 nan 0.000 0.268 20 P C -0.488 176.881 177.300 0.114 0.000 1.204 20 P CA -0.022 63.151 63.100 0.122 0.000 0.768 20 P CB 0.540 32.301 31.700 0.101 0.000 0.842 21 E N 2.988 123.235 120.200 0.079 0.000 2.346 21 E HA 0.017 4.376 4.350 0.016 0.000 0.317 21 E C 0.213 176.844 176.600 0.051 0.000 1.404 21 E CA 0.233 56.671 56.400 0.063 0.000 1.534 21 E CB -0.282 29.448 29.700 0.050 0.000 1.309 21 E HN 0.547 nan 8.360 nan 0.000 0.499 22 Q N -1.895 117.938 119.800 0.056 0.000 2.534 22 Q HA 0.684 5.034 4.340 0.016 0.000 0.290 22 Q C -0.957 175.069 176.000 0.045 0.000 0.991 22 Q CA -1.083 54.747 55.803 0.044 0.000 0.783 22 Q CB 0.918 29.680 28.738 0.041 0.000 1.470 22 Q HN 0.051 nan 8.270 nan 0.000 0.406 23 A N 0.244 123.087 122.820 0.038 0.000 2.520 23 A HA 0.634 4.964 4.320 0.016 0.000 0.235 23 A C 0.539 178.149 177.584 0.043 0.000 1.065 23 A CA 1.043 53.103 52.037 0.039 0.000 0.764 23 A CB -0.372 18.651 19.000 0.037 0.000 1.002 23 A HN 1.211 nan 8.150 nan 0.000 0.502 24 G N -0.745 108.083 108.800 0.046 0.000 2.325 24 G HA2 0.473 4.442 3.960 0.016 0.000 0.295 24 G HA3 0.473 4.442 3.960 0.016 0.000 0.295 24 G C -1.478 173.456 174.900 0.057 0.000 1.274 24 G CA -0.044 45.085 45.100 0.049 0.000 0.857 24 G HN 1.360 nan 8.290 nan 0.000 0.499 25 I N -0.243 120.359 120.570 0.053 0.000 2.692 25 I HA 0.734 4.914 4.170 0.016 0.000 0.293 25 I C -1.245 174.898 176.117 0.044 0.000 1.200 25 I CA -0.539 60.798 61.300 0.062 0.000 1.036 25 I CB 2.242 40.300 38.000 0.095 0.000 1.258 25 I HN 0.730 nan 8.210 nan 0.000 0.421 26 Q N 5.134 124.952 119.800 0.030 0.000 2.391 26 Q HA 0.443 4.793 4.340 0.016 0.000 0.279 26 Q C -1.999 174.020 176.000 0.033 0.000 1.028 26 Q CA -0.780 55.046 55.803 0.038 0.000 0.836 26 Q CB 2.557 31.330 28.738 0.058 0.000 1.414 26 Q HN 0.583 nan 8.270 nan 0.000 0.397 27 Q N 2.836 122.666 119.800 0.051 0.000 2.316 27 Q HA 0.504 4.853 4.340 0.016 0.000 0.264 27 Q C -1.026 175.020 176.000 0.078 0.000 0.987 27 Q CA -0.575 55.262 55.803 0.057 0.000 0.852 27 Q CB 1.877 30.645 28.738 0.050 0.000 1.287 27 Q HN 0.517 nan 8.270 nan 0.000 0.448 28 L N 4.337 125.629 121.223 0.115 0.000 2.280 28 L HA 0.561 4.911 4.340 0.016 0.000 0.287 28 L C -0.432 176.562 176.870 0.207 0.000 1.023 28 L CA -0.528 54.421 54.840 0.183 0.000 0.819 28 L CB 0.732 42.995 42.059 0.340 0.000 1.212 28 L HN 0.500 nan 8.230 nan 0.000 0.420 29 I N 3.593 124.188 120.570 0.040 0.000 2.382 29 I HA 0.369 4.549 4.170 0.016 0.000 0.286 29 I C -0.909 175.140 176.117 -0.112 0.000 1.002 29 I CA -0.163 61.158 61.300 0.035 0.000 1.135 29 I CB 1.450 39.441 38.000 -0.015 0.000 1.288 29 I HN 0.379 nan 8.210 nan 0.000 0.448 30 F N 7.028 126.981 119.950 0.005 0.000 2.460 30 F HA 0.432 4.968 4.527 0.015 0.000 0.341 30 F C -2.193 173.601 175.800 -0.011 0.000 1.130 30 F CA -2.276 55.724 58.000 0.001 0.000 0.962 30 F CB 1.600 40.601 39.000 0.001 0.000 1.171 30 F HN 0.206 nan 8.300 nan 0.000 0.436 31 P HA 0.088 nan 4.420 nan 0.000 0.264 31 P C -0.834 176.514 177.300 0.080 0.000 1.183 31 P CA 0.240 63.380 63.100 0.066 0.000 0.763 31 P CB 0.666 32.386 31.700 0.032 0.000 0.807 32 A N 5.068 127.912 122.820 0.040 0.000 2.354 32 A HA 0.744 5.074 4.320 0.016 0.000 0.321 32 A C -2.551 175.036 177.584 0.005 0.000 1.125 32 A CA -1.934 50.112 52.037 0.015 0.000 0.799 32 A CB 0.143 19.128 19.000 -0.025 0.000 1.293 32 A HN 0.326 nan 8.150 nan 0.000 0.452 33 P HA 0.173 nan 4.420 nan 0.000 0.268 33 P C 1.157 178.454 177.300 -0.006 0.000 1.205 33 P CA 0.484 63.583 63.100 -0.002 0.000 0.771 33 P CB 0.688 32.385 31.700 -0.004 0.000 0.858 34 G N 1.912 110.713 108.800 0.002 0.000 2.442 34 G HA2 -0.257 3.713 3.960 0.016 0.000 0.219 34 G HA3 -0.257 3.713 3.960 0.016 0.000 0.219 34 G C 1.235 176.138 174.900 0.005 0.000 1.141 34 G CA 0.308 45.411 45.100 0.005 0.000 0.763 34 G HN 0.446 nan 8.290 nan 0.000 0.554 35 L N 1.008 122.233 121.223 0.003 0.000 2.079 35 L HA -0.062 4.288 4.340 0.016 0.000 0.210 35 L C 2.997 179.867 176.870 -0.000 0.000 1.081 35 L CA 1.225 56.068 54.840 0.005 0.000 0.752 35 L CB -0.674 41.388 42.059 0.005 0.000 0.896 35 L HN 0.123 nan 8.230 nan 0.000 0.433 36 V N -0.227 119.676 119.914 -0.019 0.000 2.469 36 V HA -0.246 3.884 4.120 0.016 0.000 0.251 36 V C 2.519 178.595 176.094 -0.031 0.000 1.064 36 V CA 1.698 63.969 62.300 -0.048 0.000 1.066 36 V CB -1.525 30.238 31.823 -0.101 0.000 0.667 36 V HN 0.630 nan 8.190 nan 0.000 0.461 37 G N -0.583 108.211 108.800 -0.009 0.000 2.509 37 G HA2 -0.173 3.797 3.960 0.016 0.000 0.218 37 G HA3 -0.173 3.797 3.960 0.016 0.000 0.218 37 G C 1.588 176.517 174.900 0.048 0.000 1.124 37 G CA 0.146 45.257 45.100 0.018 0.000 0.776 37 G HN 0.367 nan 8.290 nan 0.000 0.547 38 R N -0.272 120.252 120.500 0.041 0.000 2.300 38 R HA 0.227 4.577 4.340 0.016 0.000 0.199 38 R C 1.529 177.863 176.300 0.055 0.000 0.920 38 R CA 0.138 56.268 56.100 0.050 0.000 1.046 38 R CB 0.174 30.494 30.300 0.034 0.000 0.984 38 R HN 0.400 nan 8.270 nan 0.000 0.493 39 Q N -0.203 119.632 119.800 0.058 0.000 2.182 39 Q HA 0.282 4.631 4.340 0.016 0.000 0.270 39 Q C 0.759 176.832 176.000 0.122 0.000 0.861 39 Q CA -0.129 55.717 55.803 0.071 0.000 1.098 39 Q CB 0.710 29.485 28.738 0.061 0.000 1.188 39 Q HN 0.164 nan 8.270 nan 0.000 0.464 40 L N -0.295 121.019 121.223 0.152 0.000 2.131 40 L HA -0.119 4.230 4.340 0.016 0.000 0.206 40 L C 1.930 178.952 176.870 0.253 0.000 1.087 40 L CA 0.646 55.628 54.840 0.238 0.000 0.767 40 L CB -0.118 42.100 42.059 0.266 0.000 0.917 40 L HN 0.332 nan 8.230 nan 0.000 0.441 41 L N 0.237 121.500 121.223 0.067 0.000 2.056 41 L HA -0.172 4.178 4.340 0.016 0.000 0.207 41 L C 2.322 179.137 176.870 -0.090 0.000 1.078 41 L CA 1.735 56.433 54.840 -0.235 0.000 0.749 41 L CB -0.381 41.312 42.059 -0.610 0.000 0.901 41 L HN 0.119 nan 8.230 nan 0.000 0.433 42 E N -1.299 118.887 120.200 -0.023 0.000 2.097 42 E HA -0.311 4.049 4.350 0.016 0.000 0.196 42 E C 1.735 178.368 176.600 0.055 0.000 1.000 42 E CA 2.209 58.612 56.400 0.005 0.000 0.804 42 E CB -0.536 29.186 29.700 0.036 0.000 0.740 42 E HN 0.686 nan 8.360 nan 0.000 0.454 43 W N 0.248 121.521 121.300 -0.045 0.000 2.441 43 W HA -0.051 4.613 4.660 0.006 0.000 0.302 43 W C 1.895 178.387 176.519 -0.046 0.000 1.191 43 W CA 0.720 58.044 57.345 -0.034 0.000 1.327 43 W CB -0.356 29.100 29.460 -0.007 0.000 1.128 43 W HN 0.128 nan 8.180 nan 0.000 0.522 44 L N 1.211 122.467 121.223 0.055 0.000 2.012 44 L HA -0.173 4.176 4.340 0.016 0.000 0.210 44 L C 2.624 179.297 176.870 -0.328 0.000 1.073 44 L CA 3.091 57.824 54.840 -0.179 0.000 0.748 44 L CB -1.442 40.672 42.059 0.092 0.000 0.891 44 L HN 0.208 nan 8.230 nan 0.000 0.431 45 T N -3.427 111.000 114.554 -0.212 0.000 3.085 45 T HA 0.071 4.431 4.350 0.016 0.000 0.263 45 T C 1.693 176.262 174.700 -0.219 0.000 1.127 45 T CA 0.589 62.574 62.100 -0.192 0.000 1.103 45 T CB -0.583 68.206 68.868 -0.132 0.000 0.921 45 T HN 0.344 nan 8.240 nan 0.000 0.510 46 A N 0.726 123.380 122.820 -0.275 0.000 2.167 46 A HA 0.139 4.469 4.320 0.016 0.000 0.214 46 A C 1.260 178.623 177.584 -0.368 0.000 1.151 46 A CA 0.165 52.038 52.037 -0.274 0.000 0.735 46 A CB -0.183 18.667 19.000 -0.251 0.000 0.802 46 A HN 0.448 nan 8.150 nan 0.000 0.467 47 Q N -0.168 119.328 119.800 -0.508 0.000 2.293 47 Q HA 0.282 4.632 4.340 0.016 0.000 0.251 47 Q C 0.914 176.585 176.000 -0.549 0.000 0.930 47 Q CA 0.716 56.163 55.803 -0.595 0.000 0.893 47 Q CB 0.831 29.131 28.738 -0.730 0.000 1.215 47 Q HN 0.404 nan 8.270 nan 0.000 0.425 48 T N -2.821 111.400 114.554 -0.556 0.000 3.086 48 T HA 0.097 4.457 4.350 0.016 0.000 0.250 48 T C 0.289 174.725 174.700 -0.439 0.000 1.074 48 T CA -0.104 61.762 62.100 -0.390 0.000 0.988 48 T CB 0.075 68.784 68.868 -0.266 0.000 0.988 48 T HN 0.376 nan 8.240 nan 0.000 0.530 49 H N 0.680 119.450 119.070 -0.501 0.000 2.548 49 H HA 0.534 5.098 4.556 0.015 0.000 0.331 49 H C -0.858 174.148 175.328 -0.538 0.000 1.093 49 H CA -0.815 55.025 56.048 -0.347 0.000 1.367 49 H CB 0.479 30.016 29.762 -0.375 0.000 1.455 49 H HN 0.242 nan 8.280 nan 0.000 0.519 50 F N 2.164 122.197 119.950 0.140 0.000 2.611 50 F HA 0.344 4.882 4.527 0.020 0.000 0.324 50 F C -1.830 173.996 175.800 0.042 0.000 1.061 50 F CA -2.051 55.992 58.000 0.072 0.000 0.954 50 F CB 1.465 40.491 39.000 0.044 0.000 1.301 50 F HN 0.381 nan 8.300 nan 0.000 0.482 51 P HA 0.193 nan 4.420 nan 0.000 0.274 51 P C -1.728 175.598 177.300 0.044 0.000 1.246 51 P CA -0.385 62.753 63.100 0.064 0.000 0.795 51 P CB 0.949 32.477 31.700 -0.286 0.000 1.006 52 Q N -0.023 119.863 119.800 0.144 0.000 2.375 52 Q HA 0.609 4.959 4.340 0.016 0.000 0.271 52 Q C -1.474 174.755 176.000 0.382 0.000 1.074 52 Q CA -0.510 55.411 55.803 0.196 0.000 0.808 52 Q CB 2.367 31.117 28.738 0.020 0.000 1.327 52 Q HN 0.398 nan 8.270 nan 0.000 0.441 53 F N 2.225 122.344 119.950 0.283 0.000 2.562 53 F HA 0.412 4.951 4.527 0.019 0.000 0.319 53 F C -1.813 174.106 175.800 0.199 0.000 1.154 53 F CA -0.788 57.371 58.000 0.266 0.000 0.931 53 F CB 1.140 40.329 39.000 0.315 0.000 1.198 53 F HN 0.539 nan 8.300 nan 0.000 0.444 54 Y N 6.843 126.881 120.300 -0.437 0.000 2.387 54 Y HA 0.482 5.036 4.550 0.007 0.000 0.336 54 Y C -1.675 174.060 175.900 -0.275 0.000 1.067 54 Y CA -1.236 56.717 58.100 -0.244 0.000 1.114 54 Y CB 1.198 39.579 38.460 -0.131 0.000 1.208 54 Y HN 0.683 nan 8.280 nan 0.000 0.458 55 W N 9.188 129.928 121.300 -0.933 0.000 3.042 55 W HA 0.541 5.210 4.660 0.014 0.000 0.337 55 W C -1.946 174.244 176.519 -0.549 0.000 1.086 55 W CA -0.899 56.190 57.345 -0.427 0.000 1.236 55 W CB 1.875 31.440 29.460 0.175 0.000 1.381 55 W HN 0.666 nan 8.180 nan 0.000 0.472 56 R N 4.935 124.980 120.500 -0.759 0.000 2.502 56 R HA 0.162 4.512 4.340 0.016 0.000 0.298 56 R C -0.524 175.404 176.300 -0.620 0.000 1.018 56 R CA -0.552 55.240 56.100 -0.514 0.000 0.899 56 R CB 1.161 31.368 30.300 -0.155 0.000 1.181 56 R HN 0.594 nan 8.270 nan 0.000 0.444 57 H N 4.102 122.820 119.070 -0.586 0.000 2.897 57 H HA -0.012 4.552 4.556 0.014 0.000 0.347 57 H C 0.961 175.997 175.328 -0.487 0.000 1.068 57 H CA 1.017 56.782 56.048 -0.471 0.000 1.426 57 H CB 1.060 30.777 29.762 -0.075 0.000 1.410 57 H HN 0.675 nan 8.280 nan 0.000 0.597 58 R N 2.332 122.343 120.500 -0.815 0.000 2.200 58 R HA -0.142 4.208 4.340 0.016 0.000 0.234 58 R C 0.597 176.767 176.300 -0.216 0.000 1.127 58 R CA 1.855 57.604 56.100 -0.585 0.000 0.989 58 R CB -0.152 29.627 30.300 -0.868 0.000 0.869 58 R HN 0.526 nan 8.270 nan 0.000 0.459 59 D N -0.006 120.413 120.400 0.033 0.000 2.349 59 D HA -0.101 4.549 4.640 0.016 0.000 0.224 59 D C -0.150 175.832 176.300 -0.530 0.000 1.029 59 D CA 0.154 54.035 54.000 -0.198 0.000 0.879 59 D CB -0.230 40.467 40.800 -0.170 0.000 0.906 59 D HN 0.318 nan 8.370 nan 0.000 0.528 60 N N -0.148 118.376 118.700 -0.293 0.000 2.936 60 N HA -0.196 4.554 4.740 0.016 0.000 0.236 60 N C 0.126 175.537 175.510 -0.166 0.000 0.930 60 N CA 1.275 54.182 53.050 -0.238 0.000 0.966 60 N CB -1.568 36.778 38.487 -0.235 0.000 1.090 60 N HN 0.493 nan 8.380 nan 0.000 0.592 61 H N -0.115 118.951 119.070 -0.006 0.000 2.750 61 H HA 0.295 4.858 4.556 0.012 0.000 0.263 61 H C 0.486 175.826 175.328 0.020 0.000 0.964 61 H CA 0.226 56.266 56.048 -0.013 0.000 1.205 61 H CB 1.034 30.764 29.762 -0.053 0.000 1.454 61 H HN 0.452 nan 8.280 nan 0.000 0.503 62 E N 0.827 121.119 120.200 0.153 0.000 2.234 62 E HA 0.386 4.746 4.350 0.016 0.000 0.266 62 E C -1.145 175.600 176.600 0.242 0.000 0.877 62 E CA -0.382 56.159 56.400 0.235 0.000 0.758 62 E CB 2.353 32.267 29.700 0.358 0.000 1.170 62 E HN 0.178 nan 8.360 nan 0.000 0.415 63 E N 2.260 122.604 120.200 0.239 0.000 2.363 63 E HA 0.639 4.999 4.350 0.016 0.000 0.281 63 E C -2.109 174.584 176.600 0.156 0.000 0.953 63 E CA -0.713 55.778 56.400 0.152 0.000 0.778 63 E CB 1.875 31.615 29.700 0.067 0.000 1.220 63 E HN 0.527 nan 8.360 nan 0.000 0.431 64 A N 1.745 124.611 122.820 0.075 0.000 2.515 64 A HA 0.871 5.201 4.320 0.016 0.000 0.298 64 A C -1.608 175.943 177.584 -0.054 0.000 1.059 64 A CA -0.149 51.867 52.037 -0.035 0.000 0.698 64 A CB 1.908 20.741 19.000 -0.278 0.000 1.289 64 A HN 0.534 nan 8.150 nan 0.000 0.404 65 A N 0.978 123.806 122.820 0.012 0.000 2.332 65 A HA 0.701 5.030 4.320 0.016 0.000 0.300 65 A C -0.421 177.232 177.584 0.114 0.000 1.153 65 A CA -0.119 52.027 52.037 0.181 0.000 0.764 65 A CB 0.773 20.018 19.000 0.408 0.000 1.174 65 A HN 2.293 nan 8.150 nan 0.000 0.467 66 V N 0.283 120.242 119.914 0.074 0.000 2.680 66 V HA 0.858 4.987 4.120 0.016 0.000 0.309 66 V C -0.621 175.656 176.094 0.306 0.000 1.052 66 V CA -0.744 61.607 62.300 0.086 0.000 0.908 66 V CB 0.908 32.547 31.823 -0.305 0.000 1.001 66 V HN 1.506 nan 8.190 nan 0.000 0.431 67 C N 4.988 124.508 119.300 0.365 0.000 2.608 67 C HA 0.940 5.410 4.460 0.016 0.000 0.325 67 C C 0.543 175.786 174.990 0.421 0.000 1.147 67 C CA 0.794 60.025 59.018 0.354 0.000 1.359 67 C CB 0.179 28.137 27.740 0.364 0.000 1.912 67 C HN 2.819 nan 8.230 nan 0.000 0.466 68 G N 5.109 114.108 108.800 0.333 0.000 2.846 68 G HA2 0.132 4.101 3.960 0.016 0.000 0.660 68 G HA3 0.132 4.101 3.960 0.016 0.000 0.660 68 G C -1.054 173.954 174.900 0.179 0.000 1.464 68 G CA 0.233 45.508 45.100 0.292 0.000 0.891 68 G HN 1.685 nan 8.290 nan 0.000 0.552 69 Q N -1.836 118.015 119.800 0.084 0.000 2.421 69 Q HA 0.821 5.171 4.340 0.016 0.000 0.280 69 Q C -0.040 175.966 176.000 0.010 0.000 1.085 69 Q CA -0.285 55.587 55.803 0.114 0.000 0.807 69 Q CB 1.997 30.750 28.738 0.026 0.000 1.405 69 Q HN 0.580 nan 8.270 nan 0.000 0.419 70 T N -0.467 114.094 114.554 0.012 0.000 2.989 70 T HA 0.304 4.664 4.350 0.016 0.000 0.250 70 T C -0.338 174.297 174.700 -0.108 0.000 0.981 70 T CA 0.174 62.243 62.100 -0.053 0.000 0.980 70 T CB 0.450 69.294 68.868 -0.040 0.000 1.133 70 T HN 0.437 nan 8.240 nan 0.000 0.489 71 R N 1.446 121.853 120.500 -0.154 0.000 2.698 71 R HA 0.591 4.940 4.340 0.016 0.000 0.275 71 R C -1.244 174.776 176.300 -0.466 0.000 1.001 71 R CA -0.446 55.409 56.100 -0.408 0.000 0.896 71 R CB 1.869 31.774 30.300 -0.658 0.000 1.218 71 R HN 0.340 nan 8.270 nan 0.000 0.462 72 S N 1.024 116.313 115.700 -0.684 0.000 2.570 72 S HA 0.831 5.311 4.470 0.016 0.000 0.286 72 S C -0.851 173.226 174.600 -0.870 0.000 1.099 72 S CA -0.708 57.136 58.200 -0.594 0.000 0.913 72 S CB 1.488 64.445 63.200 -0.406 0.000 1.085 72 S HN 0.355 nan 8.310 nan 0.000 0.480 73 F N 0.073 119.931 119.950 -0.153 0.000 2.563 73 F HA 0.767 5.303 4.527 0.015 0.000 0.316 73 F C 0.882 176.646 175.800 -0.060 0.000 1.076 73 F CA -1.095 56.849 58.000 -0.093 0.000 0.921 73 F CB 2.143 41.098 39.000 -0.075 0.000 1.209 73 F HN 0.805 nan 8.300 nan 0.000 0.462 74 A N 0.660 123.568 122.820 0.146 0.000 2.308 74 A HA 0.270 4.599 4.320 0.016 0.000 0.217 74 A C -0.270 177.394 177.584 0.134 0.000 1.216 74 A CA 0.529 52.644 52.037 0.131 0.000 0.864 74 A CB -0.483 18.573 19.000 0.093 0.000 0.902 74 A HN 0.736 nan 8.150 nan 0.000 0.499 75 D N -3.632 116.845 120.400 0.129 0.000 2.622 75 D HA 0.171 4.821 4.640 0.016 0.000 0.255 75 D C 0.359 176.679 176.300 0.032 0.000 1.246 75 D CA -0.606 53.437 54.000 0.072 0.000 0.795 75 D CB 0.091 40.915 40.800 0.041 0.000 1.369 75 D HN -0.153 nan 8.370 nan 0.000 0.425 76 M N 1.641 121.229 119.600 -0.020 0.000 2.108 76 M HA -0.070 4.419 4.480 0.016 0.000 0.261 76 M C 1.923 178.183 176.300 -0.067 0.000 1.066 76 M CA 2.216 57.476 55.300 -0.066 0.000 1.107 76 M CB -0.625 31.918 32.600 -0.095 0.000 1.356 76 M HN 0.609 nan 8.290 nan 0.000 0.406 77 K N -0.289 120.086 120.400 -0.042 0.000 2.034 77 K HA -0.243 4.086 4.320 0.016 0.000 0.214 77 K C 1.483 178.066 176.600 -0.030 0.000 1.051 77 K CA 2.297 58.564 56.287 -0.033 0.000 0.931 77 K CB -0.367 32.124 32.500 -0.016 0.000 0.715 77 K HN 0.380 nan 8.250 nan 0.000 0.446 78 D N 0.017 120.419 120.400 0.004 0.000 2.144 78 D HA -0.106 4.543 4.640 0.016 0.000 0.200 78 D C 1.819 178.026 176.300 -0.155 0.000 0.978 78 D CA 1.332 55.363 54.000 0.051 0.000 0.833 78 D CB -0.279 40.641 40.800 0.200 0.000 0.961 78 D HN 0.414 nan 8.370 nan 0.000 0.470 79 A N 0.973 123.563 122.820 -0.383 0.000 1.902 79 A HA -0.203 4.126 4.320 0.016 0.000 0.217 79 A C 2.003 179.339 177.584 -0.414 0.000 1.181 79 A CA 1.817 53.320 52.037 -0.890 0.000 0.623 79 A CB -0.509 18.156 19.000 -0.558 0.000 0.818 79 A HN 0.075 nan 8.150 nan 0.000 0.443 80 D N 0.087 120.364 120.400 -0.205 0.000 2.097 80 D HA -0.152 4.498 4.640 0.016 0.000 0.195 80 D C 1.272 177.525 176.300 -0.079 0.000 0.989 80 D CA 1.517 55.450 54.000 -0.112 0.000 0.827 80 D CB -0.309 40.446 40.800 -0.075 0.000 0.966 80 D HN 0.341 nan 8.370 nan 0.000 0.456 81 D N -0.657 119.711 120.400 -0.053 0.000 2.123 81 D HA -0.176 4.473 4.640 0.016 0.000 0.196 81 D C 1.829 178.136 176.300 0.012 0.000 0.992 81 D CA 0.546 54.540 54.000 -0.011 0.000 0.833 81 D CB -0.605 40.209 40.800 0.024 0.000 0.954 81 D HN 0.297 nan 8.370 nan 0.000 0.455 82 F N 1.097 120.970 119.950 -0.128 0.000 2.134 82 F HA -0.146 4.390 4.527 0.015 0.000 0.299 82 F C 2.068 177.816 175.800 -0.087 0.000 1.097 82 F CA 0.943 58.894 58.000 -0.081 0.000 1.264 82 F CB -0.017 38.920 39.000 -0.104 0.000 1.001 82 F HN -0.145 nan 8.300 nan 0.000 0.479 83 I N 0.355 120.867 120.570 -0.097 0.000 2.226 83 I HA -0.257 3.923 4.170 0.016 0.000 0.245 83 I C 2.237 178.244 176.117 -0.182 0.000 1.100 83 I CA 1.199 62.404 61.300 -0.158 0.000 1.374 83 I CB -1.285 36.670 38.000 -0.075 0.000 1.057 83 I HN 0.261 nan 8.210 nan 0.000 0.413 84 Q N 0.512 120.233 119.800 -0.131 0.000 2.119 84 Q HA -0.180 4.170 4.340 0.016 0.000 0.201 84 Q C 2.042 177.968 176.000 -0.124 0.000 0.972 84 Q CA 1.237 56.978 55.803 -0.103 0.000 0.847 84 Q CB -0.435 28.261 28.738 -0.069 0.000 0.903 84 Q HN 0.612 nan 8.270 nan 0.000 0.433 85 Q N 0.156 119.858 119.800 -0.163 0.000 2.482 85 Q HA 0.036 4.385 4.340 0.016 0.000 0.209 85 Q C 0.087 175.954 176.000 -0.223 0.000 0.961 85 Q CA 0.200 55.904 55.803 -0.165 0.000 0.945 85 Q CB 0.308 28.957 28.738 -0.148 0.000 1.012 85 Q HN 0.279 nan 8.270 nan 0.000 0.515 86 N N 0.785 119.319 118.700 -0.277 0.000 2.735 86 N HA 0.109 4.858 4.740 0.016 0.000 0.312 86 N C -2.173 173.247 175.510 -0.150 0.000 1.843 86 N CA -0.838 52.066 53.050 -0.244 0.000 0.945 86 N CB 1.067 39.328 38.487 -0.376 0.000 1.299 86 N HN 0.142 nan 8.380 nan 0.000 0.489 87 P HA -0.159 nan 4.420 nan 0.000 0.218 87 P C 0.952 178.217 177.300 -0.059 0.000 1.149 87 P CA 1.242 64.297 63.100 -0.075 0.000 0.817 87 P CB 0.251 31.915 31.700 -0.060 0.000 0.785 88 D N 1.393 121.758 120.400 -0.058 0.000 2.133 88 D HA -0.164 4.486 4.640 0.016 0.000 0.192 88 D C 0.927 177.204 176.300 -0.037 0.000 1.001 88 D CA 1.011 54.986 54.000 -0.042 0.000 0.844 88 D CB -0.916 39.861 40.800 -0.039 0.000 0.944 88 D HN 0.136 nan 8.370 nan 0.000 0.447 89 A N 1.592 124.383 122.820 -0.047 0.000 2.666 89 A HA 0.276 4.605 4.320 0.016 0.000 0.312 89 A C -0.183 177.386 177.584 -0.025 0.000 1.471 89 A CA -0.710 51.309 52.037 -0.031 0.000 1.134 89 A CB -0.965 18.014 19.000 -0.035 0.000 1.129 89 A HN 0.371 nan 8.150 nan 0.000 0.539 90 N N 1.462 120.151 118.700 -0.017 0.000 2.492 90 N HA 0.395 5.145 4.740 0.016 0.000 0.262 90 N C 1.005 176.511 175.510 -0.007 0.000 1.202 90 N CA 0.367 53.409 53.050 -0.014 0.000 0.926 90 N CB 0.658 39.137 38.487 -0.013 0.000 1.078 90 N HN 0.999 nan 8.380 nan 0.000 0.454 91 G N -0.014 108.780 108.800 -0.010 0.000 2.148 91 G HA2 -0.284 3.685 3.960 0.016 0.000 0.254 91 G HA3 -0.284 3.685 3.960 0.016 0.000 0.254 91 G C -0.225 174.677 174.900 0.004 0.000 0.981 91 G CA -0.024 45.072 45.100 -0.008 0.000 0.670 91 G HN 0.627 nan 8.290 nan 0.000 0.528 92 L N 1.581 122.809 121.223 0.008 0.000 2.623 92 L HA 0.462 4.812 4.340 0.016 0.000 0.281 92 L C 0.959 177.833 176.870 0.008 0.000 1.150 92 L CA 0.395 55.257 54.840 0.037 0.000 0.965 92 L CB -0.144 41.940 42.059 0.041 0.000 1.303 92 L HN 0.285 nan 8.230 nan 0.000 0.467 93 R N 4.698 125.192 120.500 -0.010 0.000 2.460 93 R HA 0.603 4.953 4.340 0.016 0.000 0.303 93 R C -0.803 175.402 176.300 -0.159 0.000 0.968 93 R CA -0.709 55.297 56.100 -0.156 0.000 0.889 93 R CB 1.636 31.741 30.300 -0.325 0.000 1.123 93 R HN 0.507 nan 8.270 nan 0.000 0.455 94 I N 2.365 122.778 120.570 -0.262 0.000 2.377 94 I HA 0.343 4.523 4.170 0.016 0.000 0.293 94 I C -0.801 175.056 176.117 -0.434 0.000 0.987 94 I CA -0.567 60.605 61.300 -0.213 0.000 1.185 94 I CB 1.249 39.170 38.000 -0.132 0.000 1.341 94 I HN 0.394 nan 8.210 nan 0.000 0.455 95 W N 4.309 125.332 121.300 -0.461 0.000 2.761 95 W HA 0.748 5.420 4.660 0.021 0.000 0.340 95 W C 0.497 176.632 176.519 -0.639 0.000 1.072 95 W CA 0.027 56.987 57.345 -0.641 0.000 1.215 95 W CB 1.957 30.938 29.460 -0.798 0.000 1.420 95 W HN 0.728 nan 8.180 nan 0.000 0.519 96 G N 0.362 108.904 108.800 -0.431 0.000 2.347 96 G HA2 0.165 4.134 3.960 0.016 0.000 0.224 96 G HA3 0.165 4.134 3.960 0.016 0.000 0.224 96 G C -2.180 172.709 174.900 -0.018 0.000 1.318 96 G CA -1.174 43.778 45.100 -0.247 0.000 1.016 96 G HN 0.431 nan 8.290 nan 0.000 0.469 97 L N 1.293 122.586 121.223 0.117 0.000 2.346 97 L HA 0.535 4.885 4.340 0.016 0.000 0.276 97 L C -0.865 176.125 176.870 0.201 0.000 1.006 97 L CA -1.091 53.821 54.840 0.120 0.000 0.817 97 L CB 2.085 44.042 42.059 -0.171 0.000 1.272 97 L HN 0.442 nan 8.230 nan 0.000 0.421 98 N N 2.523 121.294 118.700 0.119 0.000 2.476 98 N HA 0.448 5.197 4.740 0.016 0.000 0.257 98 N C -0.289 175.342 175.510 0.201 0.000 0.970 98 N CA -0.342 52.767 53.050 0.099 0.000 0.938 98 N CB 2.269 40.646 38.487 -0.182 0.000 1.144 98 N HN 0.673 nan 8.380 nan 0.000 0.500 99 A N 1.561 124.551 122.820 0.283 0.000 2.406 99 A HA 0.103 4.432 4.320 0.016 0.000 0.243 99 A C 0.999 178.604 177.584 0.035 0.000 1.082 99 A CA -0.279 51.830 52.037 0.119 0.000 0.786 99 A CB 0.099 18.932 19.000 -0.279 0.000 1.029 99 A HN 0.732 nan 8.150 nan 0.000 0.495 100 F N 0.185 120.079 119.950 -0.093 0.000 2.146 100 F HA 0.043 4.580 4.527 0.015 0.000 0.298 100 F C 0.995 176.738 175.800 -0.095 0.000 1.096 100 F CA 1.909 59.856 58.000 -0.088 0.000 1.275 100 F CB 0.253 39.199 39.000 -0.090 0.000 1.008 100 F HN 0.712 nan 8.300 nan 0.000 0.480 101 E N 0.318 120.574 120.200 0.093 0.000 2.331 101 E HA 0.336 4.696 4.350 0.016 0.000 0.275 101 E C -2.781 173.734 176.600 -0.141 0.000 0.895 101 E CA -2.857 53.540 56.400 -0.005 0.000 0.753 101 E CB 1.968 31.758 29.700 0.150 0.000 1.216 101 E HN -0.191 nan 8.360 nan 0.000 0.434 102 P HA 0.006 nan 4.420 nan 0.000 0.266 102 P C -1.070 176.080 177.300 -0.250 0.000 1.195 102 P CA -0.128 62.867 63.100 -0.174 0.000 0.768 102 P CB 0.632 32.275 31.700 -0.094 0.000 0.838 103 V N 4.479 124.180 119.914 -0.356 0.000 2.555 103 V HA 0.299 4.428 4.120 0.016 0.000 0.302 103 V C 0.442 176.442 176.094 -0.157 0.000 1.038 103 V CA -0.739 61.326 62.300 -0.392 0.000 0.887 103 V CB 1.772 33.062 31.823 -0.889 0.000 0.991 103 V HN 0.492 nan 8.190 nan 0.000 0.434 104 M N 5.259 124.796 119.600 -0.105 0.000 2.292 104 M HA 0.197 4.686 4.480 0.016 0.000 0.342 104 M C -0.096 176.192 176.300 -0.019 0.000 1.538 104 M CA 0.410 55.689 55.300 -0.034 0.000 1.163 104 M CB 0.653 33.232 32.600 -0.034 0.000 1.823 104 M HN 0.716 nan 8.290 nan 0.000 0.462 120 A N 1.019 123.836 122.820 -0.004 0.000 2.386 120 A HA 0.425 4.755 4.320 0.016 0.000 0.248 120 A C -0.150 177.436 177.584 0.004 0.000 1.082 120 A CA 0.050 52.078 52.037 -0.015 0.000 0.789 120 A CB 0.240 19.208 19.000 -0.054 0.000 1.025 120 A HN 0.491 nan 8.150 nan 0.000 0.490 121 Q N 0.580 120.395 119.800 0.025 0.000 2.312 121 Q HA 0.526 4.875 4.340 0.016 0.000 0.263 121 Q C 0.714 176.741 176.000 0.044 0.000 0.995 121 Q CA -0.240 55.611 55.803 0.079 0.000 0.853 121 Q CB 1.929 30.790 28.738 0.206 0.000 1.300 121 Q HN 0.816 nan 8.270 nan 0.000 0.448 122 A N 1.913 124.759 122.820 0.043 0.000 2.015 122 A HA 0.003 4.333 4.320 0.016 0.000 0.219 122 A C 0.555 178.206 177.584 0.113 0.000 1.163 122 A CA 1.056 53.105 52.037 0.019 0.000 0.646 122 A CB 0.340 19.336 19.000 -0.005 0.000 0.806 122 A HN 0.527 nan 8.150 nan 0.000 0.448 123 S N -3.023 112.809 115.700 0.221 0.000 2.588 123 S HA 0.612 5.091 4.470 0.016 0.000 0.275 123 S C -1.446 173.463 174.600 0.516 0.000 1.130 123 S CA -0.453 57.960 58.200 0.355 0.000 0.855 123 S CB 1.463 64.767 63.200 0.174 0.000 1.116 123 S HN 0.333 nan 8.310 nan 0.000 0.472 124 F N 2.601 122.791 119.950 0.400 0.000 2.552 124 F HA 0.616 5.152 4.527 0.015 0.000 0.369 124 F C -1.512 174.456 175.800 0.280 0.000 1.112 124 F CA -0.466 57.742 58.000 0.346 0.000 1.129 124 F CB 0.148 39.364 39.000 0.359 0.000 1.360 124 F HN 0.337 nan 8.300 nan 0.000 0.473 125 L N 6.967 128.261 121.223 0.118 0.000 2.362 125 L HA 0.596 4.946 4.340 0.016 0.000 0.275 125 L C -1.101 175.914 176.870 0.241 0.000 0.998 125 L CA -1.060 53.889 54.840 0.181 0.000 0.820 125 L CB 1.865 44.014 42.059 0.151 0.000 1.270 125 L HN 0.541 nan 8.230 nan 0.000 0.415 126 F N 2.187 122.182 119.950 0.075 0.000 2.591 126 F HA 0.599 5.134 4.527 0.014 0.000 0.309 126 F C -1.167 174.734 175.800 0.169 0.000 1.098 126 F CA -1.388 56.647 58.000 0.059 0.000 0.937 126 F CB 1.243 40.209 39.000 -0.056 0.000 1.250 126 F HN 0.196 nan 8.300 nan 0.000 0.447 127 L N 6.265 127.617 121.223 0.215 0.000 2.369 127 L HA 0.514 4.864 4.340 0.016 0.000 0.279 127 L C -2.325 174.676 176.870 0.218 0.000 1.108 127 L CA -2.190 52.741 54.840 0.152 0.000 0.852 127 L CB 0.065 42.191 42.059 0.112 0.000 1.169 127 L HN 0.441 nan 8.230 nan 0.000 0.452 128 P HA 0.128 nan 4.420 nan 0.000 0.274 128 P C -0.160 177.209 177.300 0.115 0.000 1.237 128 P CA -0.416 62.852 63.100 0.281 0.000 0.793 128 P CB 0.800 32.614 31.700 0.190 0.000 0.977 129 R N 1.441 121.952 120.500 0.020 0.000 2.066 129 R HA 0.042 4.391 4.340 0.016 0.000 0.232 129 R C 0.169 176.365 176.300 -0.173 0.000 1.131 129 R CA 1.639 57.581 56.100 -0.264 0.000 0.955 129 R CB -0.942 28.847 30.300 -0.850 0.000 0.851 129 R HN 0.418 nan 8.270 nan 0.000 0.432 130 L N 0.497 121.721 121.223 0.001 0.000 2.431 130 L HA 0.465 4.815 4.340 0.016 0.000 0.266 130 L C -1.621 175.339 176.870 0.149 0.000 0.978 130 L CA -0.650 54.260 54.840 0.116 0.000 0.822 130 L CB 2.010 44.261 42.059 0.320 0.000 1.310 130 L HN 0.297 nan 8.230 nan 0.000 0.409 131 E N 5.198 125.445 120.200 0.079 0.000 2.241 131 E HA 0.490 4.850 4.350 0.016 0.000 0.263 131 E C -1.683 174.905 176.600 -0.021 0.000 0.882 131 E CA -0.497 55.916 56.400 0.022 0.000 0.769 131 E CB 1.441 31.176 29.700 0.057 0.000 1.185 131 E HN 0.614 nan 8.360 nan 0.000 0.415 132 I N 5.437 125.961 120.570 -0.078 0.000 2.354 132 I HA 0.299 4.479 4.170 0.016 0.000 0.286 132 I C -0.861 175.222 176.117 -0.056 0.000 1.007 132 I CA -0.968 60.258 61.300 -0.123 0.000 1.167 132 I CB 1.340 39.165 38.000 -0.293 0.000 1.320 132 I HN 0.428 nan 8.210 nan 0.000 0.458 133 L N 7.626 128.843 121.223 -0.010 0.000 2.333 133 L HA 0.551 4.901 4.340 0.016 0.000 0.280 133 L C -0.473 176.425 176.870 0.046 0.000 1.004 133 L CA -0.293 54.572 54.840 0.042 0.000 0.820 133 L CB 1.490 43.593 42.059 0.073 0.000 1.247 133 L HN 0.575 nan 8.230 nan 0.000 0.416 134 R N 4.661 125.206 120.500 0.074 0.000 2.338 134 R HA 0.616 4.965 4.340 0.016 0.000 0.317 134 R C -0.996 175.363 176.300 0.098 0.000 0.968 134 R CA -0.604 55.539 56.100 0.071 0.000 0.849 134 R CB 0.892 31.233 30.300 0.068 0.000 1.128 134 R HN 0.716 nan 8.270 nan 0.000 0.448 135 R N 3.306 123.850 120.500 0.074 0.000 2.371 135 R HA 0.302 4.652 4.340 0.016 0.000 0.312 135 R C 0.190 176.519 176.300 0.048 0.000 0.980 135 R CA 0.184 56.329 56.100 0.075 0.000 0.867 135 R CB 1.870 32.204 30.300 0.057 0.000 1.163 135 R HN 1.050 nan 8.270 nan 0.000 0.492 136 G N 2.919 111.756 108.800 0.061 0.000 2.574 136 G HA2 -0.417 3.552 3.960 0.016 0.000 0.301 136 G HA3 -0.417 3.552 3.960 0.016 0.000 0.301 136 G C 0.547 175.466 174.900 0.032 0.000 1.166 136 G CA 0.413 45.525 45.100 0.019 0.000 0.971 136 G HN 0.560 nan 8.290 nan 0.000 0.542 137 K N 0.749 121.154 120.400 0.009 0.000 2.361 137 K HA 0.195 4.525 4.320 0.016 0.000 0.194 137 K C 0.749 177.357 176.600 0.013 0.000 1.032 137 K CA 0.220 56.515 56.287 0.013 0.000 1.048 137 K CB 0.389 32.890 32.500 0.002 0.000 0.842 137 K HN 0.284 nan 8.250 nan 0.000 0.526 138 K N 1.843 122.250 120.400 0.012 0.000 2.248 138 K HA 0.179 4.509 4.320 0.016 0.000 0.281 138 K C -0.748 175.863 176.600 0.018 0.000 1.054 138 K CA -0.005 56.289 56.287 0.012 0.000 0.903 138 K CB 1.601 34.106 32.500 0.007 0.000 1.077 138 K HN -0.150 nan 8.250 nan 0.000 0.474 139 T N 1.439 116.001 114.554 0.013 0.000 2.823 139 T HA 0.336 4.695 4.350 0.016 0.000 0.279 139 T C -0.588 174.117 174.700 0.009 0.000 0.998 139 T CA -0.791 61.315 62.100 0.009 0.000 0.994 139 T CB 1.341 70.207 68.868 -0.003 0.000 0.960 139 T HN 0.642 nan 8.240 nan 0.000 0.448 140 S N 2.984 118.690 115.700 0.011 0.000 2.548 140 S HA 0.750 5.229 4.470 0.016 0.000 0.286 140 S C -1.134 173.472 174.600 0.010 0.000 1.098 140 S CA -1.005 57.208 58.200 0.022 0.000 0.930 140 S CB 1.597 64.816 63.200 0.032 0.000 1.070 140 S HN 0.525 nan 8.310 nan 0.000 0.480 141 L N 2.337 123.580 121.223 0.033 0.000 2.307 141 L HA 0.759 5.109 4.340 0.016 0.000 0.284 141 L C -0.921 176.006 176.870 0.096 0.000 1.023 141 L CA 0.222 55.072 54.840 0.015 0.000 0.810 141 L CB 0.873 42.921 42.059 -0.019 0.000 1.231 141 L HN 0.967 nan 8.230 nan 0.000 0.423 142 T N 6.461 121.059 114.554 0.074 0.000 2.848 142 T HA 0.527 4.886 4.350 0.016 0.000 0.285 142 T C -0.740 174.009 174.700 0.083 0.000 0.995 142 T CA -0.313 61.848 62.100 0.102 0.000 0.970 142 T CB 1.662 70.580 68.868 0.083 0.000 0.976 142 T HN 0.618 nan 8.240 nan 0.000 0.441 143 L N 3.979 125.257 121.223 0.093 0.000 2.325 143 L HA 0.555 4.905 4.340 0.016 0.000 0.281 143 L C -0.697 176.181 176.870 0.013 0.000 1.004 143 L CA -0.652 54.207 54.840 0.032 0.000 0.823 143 L CB 0.919 42.993 42.059 0.026 0.000 1.236 143 L HN 0.468 nan 8.230 nan 0.000 0.415 144 N N 5.915 124.603 118.700 -0.019 0.000 2.455 144 N HA 0.471 5.221 4.740 0.016 0.000 0.280 144 N C -1.056 174.412 175.510 -0.071 0.000 1.055 144 N CA -0.176 52.867 53.050 -0.013 0.000 0.961 144 N CB 1.874 40.377 38.487 0.025 0.000 1.121 144 N HN 0.519 nan 8.380 nan 0.000 0.476 145 L N 0.642 121.820 121.223 -0.076 0.000 2.334 145 L HA 0.566 4.916 4.340 0.016 0.000 0.276 145 L C 0.321 177.158 176.870 -0.054 0.000 1.014 145 L CA -0.531 54.234 54.840 -0.125 0.000 0.815 145 L CB 1.827 43.734 42.059 -0.254 0.000 1.268 145 L HN 0.396 nan 8.230 nan 0.000 0.428 146 S N 1.225 116.896 115.700 -0.049 0.000 2.562 146 S HA 0.666 5.146 4.470 0.016 0.000 0.274 146 S C -1.375 173.220 174.600 -0.008 0.000 1.160 146 S CA -0.401 57.803 58.200 0.007 0.000 0.933 146 S CB 1.695 64.913 63.200 0.031 0.000 1.100 146 S HN 0.663 nan 8.310 nan 0.000 0.468 147 S N 2.532 118.241 115.700 0.015 0.000 2.565 147 S HA 0.457 4.936 4.470 0.016 0.000 0.269 147 S C -0.214 174.404 174.600 0.030 0.000 1.153 147 S CA -0.530 57.677 58.200 0.012 0.000 0.835 147 S CB 1.625 64.825 63.200 0.001 0.000 1.122 147 S HN 0.758 nan 8.310 nan 0.000 0.462 148 E N 0.703 120.918 120.200 0.024 0.000 2.478 148 E HA 0.070 4.430 4.350 0.016 0.000 0.194 148 E C 0.989 177.605 176.600 0.027 0.000 1.045 148 E CA 0.990 57.408 56.400 0.030 0.000 0.868 148 E CB 0.339 30.054 29.700 0.024 0.000 0.885 148 E HN 0.780 nan 8.360 nan 0.000 0.505 149 T N -3.771 110.797 114.554 0.024 0.000 3.340 149 T HA 0.095 4.454 4.350 0.016 0.000 0.272 149 T C 0.640 175.357 174.700 0.029 0.000 0.965 149 T CA -0.303 61.812 62.100 0.024 0.000 1.040 149 T CB 0.887 69.767 68.868 0.020 0.000 1.183 149 T HN -0.034 nan 8.240 nan 0.000 0.478 150 S N 0.031 115.747 115.700 0.027 0.000 2.706 150 S HA 0.518 4.997 4.470 0.016 0.000 0.270 150 S C 0.247 174.863 174.600 0.026 0.000 1.163 150 S CA -0.743 57.478 58.200 0.035 0.000 1.042 150 S CB 0.858 64.079 63.200 0.036 0.000 1.079 150 S HN 0.346 nan 8.310 nan 0.000 0.474 151 L N 3.332 124.578 121.223 0.038 0.000 2.201 151 L HA -0.049 4.301 4.340 0.016 0.000 0.212 151 L C 2.694 179.566 176.870 0.004 0.000 1.105 151 L CA 1.087 55.926 54.840 -0.001 0.000 0.775 151 L CB -0.212 41.870 42.059 0.038 0.000 0.913 151 L HN 0.679 nan 8.230 nan 0.000 0.440 152 Q N 0.792 120.656 119.800 0.106 0.000 2.050 152 Q HA -0.216 4.134 4.340 0.016 0.000 0.202 152 Q C 2.083 178.120 176.000 0.062 0.000 0.980 152 Q CA 1.779 57.663 55.803 0.135 0.000 0.840 152 Q CB -0.023 28.797 28.738 0.137 0.000 0.898 152 Q HN 0.275 nan 8.270 nan 0.000 0.424 153 K N -0.007 120.417 120.400 0.040 0.000 2.044 153 K HA -0.207 4.122 4.320 0.016 0.000 0.210 153 K C 1.919 178.518 176.600 -0.001 0.000 1.049 153 K CA 1.596 57.897 56.287 0.023 0.000 0.927 153 K CB -0.290 32.221 32.500 0.019 0.000 0.713 153 K HN 0.290 nan 8.250 nan 0.000 0.443 154 D N 0.043 120.425 120.400 -0.031 0.000 2.144 154 D HA -0.081 4.569 4.640 0.016 0.000 0.200 154 D C 1.708 177.949 176.300 -0.100 0.000 0.978 154 D CA 1.105 55.064 54.000 -0.067 0.000 0.833 154 D CB 0.049 40.794 40.800 -0.091 0.000 0.961 154 D HN 0.228 nan 8.370 nan 0.000 0.470 155 A N 0.038 122.778 122.820 -0.134 0.000 1.908 155 A HA -0.136 4.194 4.320 0.016 0.000 0.218 155 A C 2.084 179.659 177.584 -0.015 0.000 1.181 155 A CA 1.131 53.082 52.037 -0.143 0.000 0.627 155 A CB -0.830 18.094 19.000 -0.125 0.000 0.818 155 A HN 0.358 nan 8.150 nan 0.000 0.445 156 L N 0.069 121.304 121.223 0.020 0.000 1.989 156 L HA -0.235 4.114 4.340 0.016 0.000 0.211 156 L C 2.601 179.493 176.870 0.036 0.000 1.071 156 L CA 2.435 57.300 54.840 0.041 0.000 0.749 156 L CB -0.877 41.208 42.059 0.044 0.000 0.890 156 L HN 0.531 nan 8.230 nan 0.000 0.431 157 Q N -0.944 118.867 119.800 0.019 0.000 2.135 157 Q HA -0.209 4.141 4.340 0.016 0.000 0.204 157 Q C 2.193 178.216 176.000 0.039 0.000 0.981 157 Q CA 1.605 57.425 55.803 0.029 0.000 0.856 157 Q CB -0.432 28.311 28.738 0.008 0.000 0.902 157 Q HN 0.678 nan 8.270 nan 0.000 0.425 158 A N 1.073 123.886 122.820 -0.012 0.000 1.933 158 A HA -0.162 4.167 4.320 0.016 0.000 0.218 158 A C 2.045 179.678 177.584 0.081 0.000 1.175 158 A CA 1.038 53.061 52.037 -0.022 0.000 0.628 158 A CB -0.589 18.352 19.000 -0.099 0.000 0.814 158 A HN 0.299 nan 8.150 nan 0.000 0.444 159 I N -0.500 120.113 120.570 0.072 0.000 2.179 159 I HA -0.238 3.942 4.170 0.016 0.000 0.242 159 I C 2.597 178.783 176.117 0.115 0.000 1.088 159 I CA 1.770 63.125 61.300 0.092 0.000 1.357 159 I CB -0.867 37.179 38.000 0.077 0.000 1.051 159 I HN 0.253 nan 8.210 nan 0.000 0.409 160 T N 1.102 115.724 114.554 0.112 0.000 2.652 160 T HA -0.256 4.104 4.350 0.016 0.000 0.267 160 T C 1.711 176.512 174.700 0.168 0.000 1.039 160 T CA 1.769 63.941 62.100 0.120 0.000 1.153 160 T CB -0.580 68.351 68.868 0.104 0.000 0.863 160 T HN 0.298 nan 8.240 nan 0.000 0.428 161 F N 1.714 121.664 119.950 -0.001 0.000 2.091 161 F HA -0.172 4.363 4.527 0.014 0.000 0.299 161 F C 2.069 177.916 175.800 0.079 0.000 1.103 161 F CA 1.295 59.245 58.000 -0.082 0.000 1.228 161 F CB -0.259 38.604 39.000 -0.229 0.000 0.984 161 F HN 0.048 nan 8.300 nan 0.000 0.477 162 I N 0.396 121.171 120.570 0.343 0.000 2.179 162 I HA -0.289 3.891 4.170 0.016 0.000 0.242 162 I C 1.812 178.009 176.117 0.132 0.000 1.088 162 I CA 1.639 63.085 61.300 0.243 0.000 1.357 162 I CB -1.334 36.775 38.000 0.182 0.000 1.051 162 I HN 0.168 nan 8.210 nan 0.000 0.409 163 D N 0.539 121.003 120.400 0.107 0.000 2.264 163 D HA -0.153 4.497 4.640 0.016 0.000 0.208 163 D C 2.001 178.320 176.300 0.033 0.000 0.966 163 D CA 0.863 54.901 54.000 0.063 0.000 0.864 163 D CB -0.107 40.727 40.800 0.058 0.000 0.933 163 D HN 0.492 nan 8.370 nan 0.000 0.499 164 Q N -0.354 119.470 119.800 0.039 0.000 2.319 164 Q HA 0.188 4.538 4.340 0.016 0.000 0.202 164 Q C 0.378 176.272 176.000 -0.176 0.000 0.896 164 Q CA -0.197 55.576 55.803 -0.050 0.000 0.942 164 Q CB 0.740 29.469 28.738 -0.015 0.000 1.083 164 Q HN 0.255 nan 8.270 nan 0.000 0.510 165 L N 1.251 122.426 121.223 -0.080 0.000 2.483 165 L HA 0.078 4.428 4.340 0.016 0.000 0.275 165 L C 0.237 177.023 176.870 -0.140 0.000 1.220 165 L CA 0.268 55.025 54.840 -0.138 0.000 0.833 165 L CB 0.241 42.325 42.059 0.041 0.000 1.102 165 L HN 0.115 nan 8.230 nan 0.000 0.490 166 M N 1.444 120.917 119.600 -0.211 0.000 2.664 166 M HA 0.447 4.937 4.480 0.016 0.000 0.314 166 M C -0.066 176.169 176.300 -0.108 0.000 1.200 166 M CA -0.812 54.390 55.300 -0.164 0.000 0.916 166 M CB 1.573 34.043 32.600 -0.217 0.000 1.717 166 M HN 0.593 nan 8.290 nan 0.000 0.470 167 A N 1.401 124.190 122.820 -0.051 0.000 2.477 167 A HA 0.579 4.908 4.320 0.016 0.000 0.246 167 A C 0.433 178.012 177.584 -0.007 0.000 1.078 167 A CA -0.228 51.815 52.037 0.010 0.000 0.770 167 A CB -0.163 18.841 19.000 0.006 0.000 1.011 167 A HN 0.938 nan 8.150 nan 0.000 0.494 168 A N 3.157 126.028 122.820 0.085 0.000 2.483 168 A HA 0.520 4.850 4.320 0.016 0.000 0.238 168 A C 0.649 178.248 177.584 0.024 0.000 1.070 168 A CA 0.212 52.293 52.037 0.073 0.000 0.770 168 A CB 0.124 19.244 19.000 0.199 0.000 1.008 168 A HN 0.869 nan 8.150 nan 0.000 0.497 169 R N 0.705 121.202 120.500 -0.005 0.000 2.771 169 R HA 0.586 4.935 4.340 0.016 0.000 0.274 169 R C -0.186 176.103 176.300 -0.019 0.000 0.987 169 R CA -0.493 55.597 56.100 -0.016 0.000 0.908 169 R CB 2.052 32.331 30.300 -0.036 0.000 1.213 169 R HN 0.940 nan 8.270 nan 0.000 0.468 170 A N 2.425 125.235 122.820 -0.018 0.000 2.547 170 A HA 0.100 4.429 4.320 0.016 0.000 0.233 170 A C 0.100 177.662 177.584 -0.037 0.000 1.067 170 A CA 0.048 52.070 52.037 -0.024 0.000 0.763 170 A CB -0.000 18.987 19.000 -0.021 0.000 1.007 170 A HN 0.578 nan 8.150 nan 0.000 0.506 171 L N 3.453 124.648 121.223 -0.046 0.000 2.367 171 L HA 0.265 4.614 4.340 0.016 0.000 0.275 171 L C -1.479 175.361 176.870 -0.051 0.000 1.129 171 L CA -1.404 53.400 54.840 -0.059 0.000 0.839 171 L CB 0.209 42.222 42.059 -0.076 0.000 1.133 171 L HN 0.577 nan 8.230 nan 0.000 0.453 172 P HA 0.068 nan 4.420 nan 0.000 0.268 172 P C -0.419 176.858 177.300 -0.039 0.000 1.205 172 P CA -0.354 62.722 63.100 -0.041 0.000 0.771 172 P CB 0.585 32.261 31.700 -0.040 0.000 0.858 173 V N 3.365 123.259 119.914 -0.034 0.000 2.872 173 V HA -0.103 4.027 4.120 0.016 0.000 0.307 173 V C 1.045 177.124 176.094 -0.026 0.000 1.072 173 V CA -0.308 61.972 62.300 -0.032 0.000 1.148 173 V CB 0.170 31.976 31.823 -0.029 0.000 0.954 173 V HN 0.425 nan 8.190 nan 0.000 0.490 174 L N 4.478 125.688 121.223 -0.022 0.000 2.369 174 L HA 0.220 4.570 4.340 0.016 0.000 0.279 174 L C 0.935 177.798 176.870 -0.012 0.000 1.108 174 L CA 0.823 55.661 54.840 -0.003 0.000 0.852 174 L CB -0.375 41.691 42.059 0.011 0.000 1.169 174 L HN 0.761 nan 8.230 nan 0.000 0.452 175 N N 2.920 121.611 118.700 -0.016 0.000 2.419 175 N HA 0.176 4.925 4.740 0.016 0.000 0.216 175 N C 0.410 175.900 175.510 -0.033 0.000 1.118 175 N CA 0.257 53.291 53.050 -0.025 0.000 0.850 175 N CB 0.565 39.036 38.487 -0.027 0.000 1.292 175 N HN 0.678 nan 8.380 nan 0.000 0.467 176 A N 1.549 124.344 122.820 -0.042 0.000 2.483 176 A HA 0.340 4.670 4.320 0.016 0.000 0.238 176 A C -0.064 177.484 177.584 -0.059 0.000 1.070 176 A CA 0.388 52.391 52.037 -0.056 0.000 0.770 176 A CB 0.284 19.235 19.000 -0.081 0.000 1.008 176 A HN 0.382 nan 8.150 nan 0.000 0.497 177 R N 0.378 120.845 120.500 -0.055 0.000 2.750 177 R HA 0.519 4.868 4.340 0.016 0.000 0.281 177 R C -1.152 175.122 176.300 -0.043 0.000 0.972 177 R CA -0.641 55.428 56.100 -0.052 0.000 0.912 177 R CB 1.797 32.080 30.300 -0.028 0.000 1.187 177 R HN 0.701 nan 8.270 nan 0.000 0.464 178 I N 3.039 123.586 120.570 -0.039 0.000 2.471 178 I HA -0.029 4.150 4.170 0.016 0.000 0.286 178 I C 1.264 177.418 176.117 0.062 0.000 1.079 178 I CA 0.479 61.784 61.300 0.008 0.000 1.398 178 I CB 1.050 39.084 38.000 0.056 0.000 1.403 178 I HN 0.661 nan 8.210 nan 0.000 0.530 179 Q N 4.319 124.146 119.800 0.045 0.000 2.280 179 Q HA 0.276 4.626 4.340 0.016 0.000 0.228 179 Q C -0.100 175.971 176.000 0.120 0.000 0.857 179 Q CA -0.147 55.694 55.803 0.062 0.000 0.939 179 Q CB 0.749 29.509 28.738 0.037 0.000 1.114 179 Q HN 0.731 nan 8.270 nan 0.000 0.514 180 H N -0.244 118.812 119.070 -0.025 0.000 3.112 180 H HA 0.487 5.052 4.556 0.016 0.000 0.347 180 H C -1.972 173.316 175.328 -0.066 0.000 1.188 180 H CA -0.438 55.585 56.048 -0.042 0.000 1.240 180 H CB 2.319 32.054 29.762 -0.045 0.000 1.920 180 H HN 0.054 nan 8.280 nan 0.000 0.535 181 S N 2.571 117.854 115.700 -0.695 0.000 2.542 181 S HA 0.819 5.298 4.470 0.016 0.000 0.293 181 S C -1.307 172.888 174.600 -0.675 0.000 1.089 181 S CA 0.120 58.009 58.200 -0.518 0.000 0.961 181 S CB 0.796 63.775 63.200 -0.368 0.000 1.062 181 S HN 0.958 nan 8.310 nan 0.000 0.483 182 S N 2.961 118.385 115.700 -0.460 0.000 2.638 182 S HA 0.654 5.134 4.470 0.016 0.000 0.274 182 S C -1.836 172.499 174.600 -0.441 0.000 1.157 182 S CA -0.934 57.062 58.200 -0.339 0.000 0.826 182 S CB 1.231 64.409 63.200 -0.036 0.000 1.139 182 S HN 0.765 nan 8.310 nan 0.000 0.474 183 H N 0.180 119.254 119.070 0.007 0.000 2.600 183 H HA 0.635 5.200 4.556 0.016 0.000 0.357 183 H C -0.914 174.391 175.328 -0.039 0.000 1.106 183 H CA -0.390 55.646 56.048 -0.020 0.000 1.193 183 H CB 2.079 31.908 29.762 0.111 0.000 1.594 183 H HN 0.692 nan 8.280 nan 0.000 0.526 184 T N 5.875 120.398 114.554 -0.051 0.000 2.809 184 T HA 0.272 4.632 4.350 0.016 0.000 0.284 184 T C -2.488 172.111 174.700 -0.168 0.000 0.992 184 T CA -1.398 60.530 62.100 -0.286 0.000 0.957 184 T CB 1.918 70.310 68.868 -0.794 0.000 0.942 184 T HN 0.353 nan 8.240 nan 0.000 0.439 185 P HA 0.253 nan 4.420 nan 0.000 0.274 185 P C 0.534 178.029 177.300 0.325 0.000 1.231 185 P CA -0.227 63.012 63.100 0.231 0.000 0.790 185 P CB 0.537 32.500 31.700 0.438 0.000 0.951 186 G N 0.590 109.564 108.800 0.290 0.000 2.699 186 G HA2 -0.090 3.879 3.960 0.016 0.000 0.246 186 G HA3 -0.090 3.879 3.960 0.016 0.000 0.246 186 G C 0.442 175.451 174.900 0.182 0.000 1.219 186 G CA -0.244 45.039 45.100 0.304 0.000 0.866 186 G HN 0.521 nan 8.290 nan 0.000 0.572 187 Y N 1.625 121.753 120.300 -0.287 0.000 2.128 187 Y HA -0.080 4.480 4.550 0.016 0.000 0.284 187 Y C 0.064 175.892 175.900 -0.120 0.000 1.154 187 Y CA 2.122 59.831 58.100 -0.650 0.000 1.149 187 Y CB -0.773 37.035 38.460 -1.088 0.000 0.976 187 Y HN 0.382 nan 8.280 nan 0.000 0.505 188 P HA -0.163 nan 4.420 nan 0.000 0.216 188 P C 1.153 178.372 177.300 -0.135 0.000 1.150 188 P CA 2.080 65.061 63.100 -0.197 0.000 0.837 188 P CB 0.012 31.705 31.700 -0.013 0.000 0.786 189 Q N -1.788 118.016 119.800 0.008 0.000 2.123 189 Q HA -0.111 4.239 4.340 0.016 0.000 0.199 189 Q C 1.996 178.077 176.000 0.135 0.000 0.966 189 Q CA 1.179 57.039 55.803 0.096 0.000 0.845 189 Q CB -1.154 27.701 28.738 0.196 0.000 0.907 189 Q HN 0.391 nan 8.270 nan 0.000 0.439 190 W N 1.554 122.828 121.300 -0.043 0.000 2.333 190 W HA -0.242 4.428 4.660 0.016 0.000 0.316 190 W C 1.893 178.337 176.519 -0.126 0.000 1.215 190 W CA 1.609 58.956 57.345 0.003 0.000 1.278 190 W CB -0.155 29.388 29.460 0.139 0.000 1.154 190 W HN 0.115 nan 8.180 nan 0.000 0.486 191 R N 1.017 121.352 120.500 -0.274 0.000 2.083 191 R HA -0.203 4.146 4.340 0.016 0.000 0.237 191 R C 1.654 177.825 176.300 -0.215 0.000 1.137 191 R CA 2.062 57.939 56.100 -0.372 0.000 0.951 191 R CB -1.173 28.741 30.300 -0.643 0.000 0.851 191 R HN 0.222 nan 8.270 nan 0.000 0.434 192 N N 1.060 119.673 118.700 -0.146 0.000 2.166 192 N HA -0.172 4.578 4.740 0.016 0.000 0.186 192 N C 1.683 177.156 175.510 -0.060 0.000 1.019 192 N CA 0.865 53.871 53.050 -0.074 0.000 0.856 192 N CB -0.377 38.092 38.487 -0.029 0.000 0.993 192 N HN 0.167 nan 8.380 nan 0.000 0.426 193 L N 0.918 122.103 121.223 -0.063 0.000 2.072 193 L HA 0.091 4.441 4.340 0.016 0.000 0.205 193 L C 1.929 178.748 176.870 -0.084 0.000 1.079 193 L CA 1.116 55.934 54.840 -0.036 0.000 0.752 193 L CB -0.383 41.683 42.059 0.013 0.000 0.906 193 L HN 0.060 nan 8.230 nan 0.000 0.436 194 I N -0.819 119.605 120.570 -0.243 0.000 2.286 194 I HA -0.296 3.884 4.170 0.016 0.000 0.248 194 I C 2.486 178.505 176.117 -0.164 0.000 1.115 194 I CA 1.169 62.301 61.300 -0.280 0.000 1.392 194 I CB -0.205 37.543 38.000 -0.420 0.000 1.065 194 I HN 0.395 nan 8.210 nan 0.000 0.418 195 Q N 0.868 120.595 119.800 -0.120 0.000 2.084 195 Q HA -0.288 4.061 4.340 0.016 0.000 0.202 195 Q C 2.091 178.060 176.000 -0.051 0.000 0.978 195 Q CA 1.757 57.516 55.803 -0.073 0.000 0.844 195 Q CB -0.224 28.482 28.738 -0.052 0.000 0.898 195 Q HN 0.330 nan 8.270 nan 0.000 0.426 196 Q N -0.747 119.033 119.800 -0.034 0.000 2.226 196 Q HA -0.018 4.332 4.340 0.016 0.000 0.204 196 Q C 1.617 177.641 176.000 0.040 0.000 0.975 196 Q CA 1.730 57.533 55.803 0.001 0.000 0.866 196 Q CB -0.431 28.269 28.738 -0.064 0.000 0.915 196 Q HN 0.466 nan 8.270 nan 0.000 0.440 197 A N -0.703 122.080 122.820 -0.061 0.000 1.975 197 A HA 0.047 4.376 4.320 0.016 0.000 0.215 197 A C 1.951 179.396 177.584 -0.232 0.000 1.170 197 A CA 0.538 52.362 52.037 -0.355 0.000 0.656 197 A CB -0.388 18.252 19.000 -0.600 0.000 0.821 197 A HN 0.400 nan 8.150 nan 0.000 0.449 198 L N 0.085 121.220 121.223 -0.146 0.000 2.083 198 L HA -0.194 4.156 4.340 0.016 0.000 0.209 198 L C 2.090 178.921 176.870 -0.065 0.000 1.083 198 L CA 1.157 55.938 54.840 -0.099 0.000 0.752 198 L CB -0.573 41.443 42.059 -0.072 0.000 0.899 198 L HN 0.349 nan 8.230 nan 0.000 0.433 199 N N -0.201 118.471 118.700 -0.045 0.000 2.188 199 N HA -0.156 4.594 4.740 0.016 0.000 0.184 199 N C 1.419 176.922 175.510 -0.011 0.000 1.018 199 N CA 1.156 54.196 53.050 -0.018 0.000 0.858 199 N CB -0.327 38.160 38.487 -0.000 0.000 0.989 199 N HN 0.263 nan 8.380 nan 0.000 0.426 200 D N 0.712 121.101 120.400 -0.017 0.000 2.149 200 D HA 0.045 4.695 4.640 0.016 0.000 0.201 200 D C 1.903 178.176 176.300 -0.045 0.000 0.972 200 D CA 0.304 54.302 54.000 -0.003 0.000 0.835 200 D CB -0.163 40.653 40.800 0.026 0.000 0.966 200 D HN 0.237 nan 8.370 nan 0.000 0.476 201 I N 0.708 121.225 120.570 -0.088 0.000 2.530 201 I HA -0.166 4.013 4.170 0.016 0.000 0.257 201 I C 1.051 177.144 176.117 -0.040 0.000 1.179 201 I CA 0.903 62.156 61.300 -0.077 0.000 1.440 201 I CB -0.042 37.901 38.000 -0.094 0.000 1.087 201 I HN 0.027 nan 8.210 nan 0.000 0.440 207 D N 1.840 122.210 120.400 -0.050 0.000 2.597 207 D HA 0.163 4.813 4.640 0.016 0.000 0.261 207 D C -0.096 176.169 176.300 -0.059 0.000 1.023 207 D CA 0.506 54.479 54.000 -0.044 0.000 0.927 207 D CB 0.893 41.679 40.800 -0.023 0.000 1.168 207 D HN 0.259 nan 8.370 nan 0.000 0.491 208 K N 0.797 121.158 120.400 -0.064 0.000 2.525 208 K HA 0.474 4.804 4.320 0.016 0.000 0.254 208 K C -1.977 174.567 176.600 -0.094 0.000 0.934 208 K CA -0.525 55.719 56.287 -0.071 0.000 0.802 208 K CB 3.217 35.701 32.500 -0.027 0.000 1.295 208 K HN -0.190 nan 8.250 nan 0.000 0.433 209 V N 4.453 124.283 119.914 -0.140 0.000 2.709 209 V HA 0.468 4.598 4.120 0.016 0.000 0.308 209 V C -1.205 174.859 176.094 -0.050 0.000 1.062 209 V CA -0.668 61.557 62.300 -0.125 0.000 0.901 209 V CB 2.058 33.682 31.823 -0.332 0.000 1.003 209 V HN 0.521 nan 8.190 nan 0.000 0.425 210 V N 7.901 127.837 119.914 0.037 0.000 2.407 210 V HA 0.488 4.618 4.120 0.016 0.000 0.278 210 V C -0.083 176.091 176.094 0.132 0.000 1.037 210 V CA -0.351 62.002 62.300 0.088 0.000 0.900 210 V CB 1.291 33.179 31.823 0.108 0.000 0.983 210 V HN 0.670 nan 8.190 nan 0.000 0.459 211 L N 4.478 125.797 121.223 0.161 0.000 2.346 211 L HA 0.815 5.164 4.340 0.016 0.000 0.276 211 L C 0.317 177.418 176.870 0.385 0.000 1.006 211 L CA -0.539 54.435 54.840 0.224 0.000 0.817 211 L CB 1.850 43.946 42.059 0.061 0.000 1.272 211 L HN 0.698 nan 8.230 nan 0.000 0.421 212 A N 3.753 126.798 122.820 0.375 0.000 2.293 212 A HA 0.800 5.129 4.320 0.016 0.000 0.302 212 A C -0.514 177.273 177.584 0.338 0.000 1.119 212 A CA -0.504 51.751 52.037 0.364 0.000 0.823 212 A CB 1.212 20.424 19.000 0.354 0.000 1.097 212 A HN 0.807 nan 8.150 nan 0.000 0.491 213 R N 0.396 120.977 120.500 0.135 0.000 2.564 213 R HA 0.486 4.835 4.340 0.016 0.000 0.284 213 R C -1.251 174.967 176.300 -0.137 0.000 1.031 213 R CA -0.214 55.868 56.100 -0.029 0.000 0.904 213 R CB 1.944 32.056 30.300 -0.313 0.000 1.199 213 R HN 0.758 nan 8.270 nan 0.000 0.443 214 T N 1.579 116.031 114.554 -0.170 0.000 2.837 214 T HA 0.354 4.714 4.350 0.016 0.000 0.285 214 T C -0.681 173.916 174.700 -0.172 0.000 0.984 214 T CA -0.011 61.916 62.100 -0.288 0.000 1.049 214 T CB 0.996 69.628 68.868 -0.393 0.000 0.947 214 T HN 0.513 nan 8.240 nan 0.000 0.472 215 T N 4.478 118.930 114.554 -0.171 0.000 2.770 215 T HA 0.363 4.723 4.350 0.016 0.000 0.297 215 T C -0.162 174.437 174.700 -0.168 0.000 0.997 215 T CA -0.396 61.625 62.100 -0.132 0.000 0.949 215 T CB 0.890 69.702 68.868 -0.092 0.000 0.941 215 T HN 0.588 nan 8.240 nan 0.000 0.457 216 T N 5.464 119.924 114.554 -0.157 0.000 2.811 216 T HA 0.384 4.744 4.350 0.016 0.000 0.309 216 T C 0.299 174.897 174.700 -0.170 0.000 1.005 216 T CA -0.483 61.554 62.100 -0.105 0.000 0.955 216 T CB -0.110 68.790 68.868 0.052 0.000 0.970 216 T HN 0.363 nan 8.240 nan 0.000 0.496 217 L N 3.476 124.574 121.223 -0.209 0.000 2.305 217 L HA 0.386 4.735 4.340 0.016 0.000 0.281 217 L C 0.739 177.515 176.870 -0.156 0.000 1.085 217 L CA -0.539 54.200 54.840 -0.169 0.000 0.813 217 L CB 0.690 42.648 42.059 -0.168 0.000 1.157 217 L HN 0.456 nan 8.230 nan 0.000 0.436 218 T N 4.747 119.258 114.554 -0.072 0.000 2.767 218 T HA 0.595 4.955 4.350 0.016 0.000 0.284 218 T C -0.031 174.641 174.700 -0.047 0.000 0.973 218 T CA -0.404 61.665 62.100 -0.051 0.000 0.996 218 T CB 1.007 69.884 68.868 0.015 0.000 0.927 218 T HN 0.285 nan 8.240 nan 0.000 0.456 219 L N 3.187 124.366 121.223 -0.072 0.000 2.330 219 L HA 0.493 4.842 4.340 0.016 0.000 0.271 219 L C 1.764 178.604 176.870 -0.049 0.000 1.013 219 L CA -1.018 53.781 54.840 -0.069 0.000 0.816 219 L CB 1.319 43.316 42.059 -0.103 0.000 1.287 219 L HN 0.736 nan 8.230 nan 0.000 0.435 220 N N 1.064 119.740 118.700 -0.040 0.000 2.453 220 N HA -0.098 4.652 4.740 0.016 0.000 0.183 220 N C -0.004 175.484 175.510 -0.037 0.000 1.041 220 N CA 0.428 53.459 53.050 -0.032 0.000 0.900 220 N CB 0.198 38.671 38.487 -0.023 0.000 0.961 220 N HN 0.623 nan 8.380 nan 0.000 0.443 221 K N -0.721 119.651 120.400 -0.047 0.000 2.571 221 K HA 0.412 4.742 4.320 0.016 0.000 0.289 221 K C -3.482 173.082 176.600 -0.060 0.000 1.028 221 K CA -1.843 54.416 56.287 -0.047 0.000 0.895 221 K CB 0.963 33.439 32.500 -0.040 0.000 1.534 221 K HN -0.313 nan 8.250 nan 0.000 0.421 222 P HA 0.019 nan 4.420 nan 0.000 0.264 222 P C -0.605 176.651 177.300 -0.072 0.000 1.193 222 P CA -0.358 62.705 63.100 -0.062 0.000 0.763 222 P CB 0.258 31.930 31.700 -0.046 0.000 0.810 223 L N 3.552 124.714 121.223 -0.100 0.000 2.410 223 L HA 0.150 4.500 4.340 0.016 0.000 0.273 223 L C 0.468 177.292 176.870 -0.076 0.000 1.152 223 L CA 0.306 55.072 54.840 -0.123 0.000 0.855 223 L CB 0.259 42.183 42.059 -0.225 0.000 1.129 223 L HN 0.247 nan 8.230 nan 0.000 0.463 224 S N 4.615 120.284 115.700 -0.051 0.000 2.423 224 S HA 0.046 4.525 4.470 0.016 0.000 0.302 224 S C 1.476 176.074 174.600 -0.003 0.000 1.143 224 S CA -0.533 57.652 58.200 -0.025 0.000 1.080 224 S CB -0.333 62.854 63.200 -0.022 0.000 1.081 224 S HN 0.910 nan 8.310 nan 0.000 0.522 225 C N 4.637 123.936 119.300 -0.001 0.000 2.401 225 C HA -0.138 4.332 4.460 0.016 0.000 0.276 225 C C 2.959 177.960 174.990 0.019 0.000 1.233 225 C CA 1.161 60.197 59.018 0.030 0.000 1.753 225 C CB -1.832 25.928 27.740 0.032 0.000 2.029 225 C HN 1.021 nan 8.230 nan 0.000 0.478 226 A N 0.728 123.530 122.820 -0.031 0.000 1.869 226 A HA -0.147 4.183 4.320 0.016 0.000 0.218 226 A C 2.401 179.938 177.584 -0.078 0.000 1.203 226 A CA 2.812 54.796 52.037 -0.089 0.000 0.638 226 A CB -1.266 17.679 19.000 -0.092 0.000 0.831 226 A HN 0.664 nan 8.150 nan 0.000 0.450 227 A N -2.075 120.725 122.820 -0.033 0.000 1.972 227 A HA -0.023 4.307 4.320 0.016 0.000 0.219 227 A C 2.056 179.647 177.584 0.011 0.000 1.169 227 A CA 1.736 53.758 52.037 -0.024 0.000 0.635 227 A CB -0.634 18.362 19.000 -0.007 0.000 0.810 227 A HN 0.635 nan 8.150 nan 0.000 0.446 228 F N -0.644 119.237 119.950 -0.116 0.000 2.128 228 F HA -0.056 4.481 4.527 0.016 0.000 0.295 228 F C 2.181 177.895 175.800 -0.142 0.000 1.100 228 F CA 1.927 59.857 58.000 -0.118 0.000 1.260 228 F CB -0.294 38.644 39.000 -0.103 0.000 1.009 228 F HN 0.242 nan 8.300 nan 0.000 0.476 229 M N 0.501 120.059 119.600 -0.070 0.000 2.149 229 M HA -0.123 4.367 4.480 0.016 0.000 0.261 229 M C 2.164 178.286 176.300 -0.297 0.000 1.064 229 M CA 2.049 57.222 55.300 -0.212 0.000 1.102 229 M CB -0.765 31.719 32.600 -0.193 0.000 1.369 229 M HN 0.161 nan 8.290 nan 0.000 0.408 230 A N -0.636 122.036 122.820 -0.246 0.000 1.930 230 A HA 0.107 4.436 4.320 0.016 0.000 0.217 230 A C 2.325 179.761 177.584 -0.247 0.000 1.175 230 A CA 1.737 53.629 52.037 -0.241 0.000 0.627 230 A CB -1.297 17.597 19.000 -0.176 0.000 0.815 230 A HN 0.605 nan 8.150 nan 0.000 0.443 231 A N -0.834 121.838 122.820 -0.246 0.000 1.898 231 A HA -0.088 4.241 4.320 0.016 0.000 0.216 231 A C 2.468 179.858 177.584 -0.323 0.000 1.181 231 A CA 2.077 53.962 52.037 -0.253 0.000 0.620 231 A CB -0.895 17.967 19.000 -0.230 0.000 0.819 231 A HN 0.538 nan 8.150 nan 0.000 0.442 232 S N -0.723 114.724 115.700 -0.422 0.000 2.383 232 S HA -0.152 4.328 4.470 0.016 0.000 0.227 232 S C 2.146 176.540 174.600 -0.342 0.000 1.026 232 S CA 1.264 59.233 58.200 -0.384 0.000 0.981 232 S CB -0.346 62.610 63.200 -0.407 0.000 0.818 232 S HN 0.607 nan 8.310 nan 0.000 0.472 233 R N 0.366 120.573 120.500 -0.489 0.000 2.120 233 R HA -0.026 4.323 4.340 0.016 0.000 0.234 233 R C 2.572 178.665 176.300 -0.345 0.000 1.123 233 R CA 1.531 57.266 56.100 -0.607 0.000 0.975 233 R CB -0.244 29.724 30.300 -0.552 0.000 0.866 233 R HN 0.591 nan 8.270 nan 0.000 0.446 234 Q N -0.461 119.168 119.800 -0.284 0.000 2.230 234 Q HA -0.058 4.292 4.340 0.016 0.000 0.202 234 Q C 1.900 177.687 176.000 -0.355 0.000 0.963 234 Q CA 0.984 56.659 55.803 -0.214 0.000 0.866 234 Q CB 0.305 28.956 28.738 -0.145 0.000 0.931 234 Q HN 0.148 nan 8.270 nan 0.000 0.452 235 V N 0.312 120.002 119.914 -0.373 0.000 3.379 235 V HA 0.080 4.210 4.120 0.016 0.000 0.249 235 V C -0.162 175.692 176.094 -0.400 0.000 1.184 235 V CA 0.320 62.406 62.300 -0.356 0.000 1.106 235 V CB 0.527 32.226 31.823 -0.206 0.000 0.826 235 V HN 0.232 nan 8.190 nan 0.000 0.465 236 N N 1.361 119.875 118.700 -0.311 0.000 3.234 236 N HA 0.242 4.992 4.740 0.016 0.000 0.272 236 N C -0.510 174.952 175.510 -0.081 0.000 1.254 236 N CA -0.037 52.932 53.050 -0.135 0.000 1.087 236 N CB 0.070 38.547 38.487 -0.017 0.000 1.356 236 N HN 0.617 nan 8.380 nan 0.000 0.511 237 H N 0.597 119.689 119.070 0.037 0.000 2.757 237 H HA 0.197 4.760 4.556 0.012 0.000 0.370 237 H C 0.555 175.871 175.328 -0.019 0.000 1.172 237 H CA -0.098 55.963 56.048 0.022 0.000 1.426 237 H CB 0.725 30.487 29.762 -0.000 0.000 1.438 237 H HN 0.240 nan 8.280 nan 0.000 0.612 238 R N -1.089 119.465 120.500 0.089 0.000 3.651 238 R HA -0.175 4.175 4.340 0.016 0.000 0.292 238 R C -1.166 175.065 176.300 -0.116 0.000 1.161 238 R CA 0.409 56.492 56.100 -0.029 0.000 0.787 238 R CB -2.371 27.935 30.300 0.011 0.000 1.249 238 R HN 0.368 nan 8.270 nan 0.000 0.476 239 C N 0.047 119.219 119.300 -0.212 0.000 2.563 239 C HA 0.448 4.917 4.460 0.016 0.000 0.314 239 C C 0.248 174.878 174.990 -0.599 0.000 1.199 239 C CA -1.020 57.799 59.018 -0.332 0.000 1.564 239 C CB 0.857 28.407 27.740 -0.317 0.000 2.173 239 C HN 0.286 nan 8.230 nan 0.000 0.485 240 Y N 2.993 123.038 120.300 -0.426 0.000 2.496 240 Y HA 0.215 4.775 4.550 0.016 0.000 0.334 240 Y C 1.227 176.847 175.900 -0.465 0.000 1.080 240 Y CA 0.624 58.419 58.100 -0.508 0.000 1.355 240 Y CB 0.091 38.340 38.460 -0.352 0.000 1.193 240 Y HN 0.584 nan 8.280 nan 0.000 0.523 241 H N 5.613 124.634 119.070 -0.082 0.000 2.488 241 H HA 0.336 4.903 4.556 0.019 0.000 0.322 241 H C -0.766 174.561 175.328 -0.001 0.000 1.078 241 H CA -0.725 55.267 56.048 -0.093 0.000 1.260 241 H CB 0.863 30.604 29.762 -0.035 0.000 1.425 241 H HN 0.642 nan 8.280 nan 0.000 0.471 242 F N 0.723 120.754 119.950 0.135 0.000 2.599 242 F HA 0.639 5.176 4.527 0.016 0.000 0.311 242 F C -0.787 175.029 175.800 0.026 0.000 1.076 242 F CA -1.308 56.741 58.000 0.082 0.000 0.937 242 F CB 2.139 41.361 39.000 0.370 0.000 1.282 242 F HN 0.355 nan 8.300 nan 0.000 0.460 243 M N 4.821 124.405 119.600 -0.028 0.000 2.221 243 M HA 0.444 4.934 4.480 0.016 0.000 0.259 243 M C -2.526 173.798 176.300 0.039 0.000 1.001 243 M CA -0.533 54.782 55.300 0.026 0.000 1.009 243 M CB 1.899 34.516 32.600 0.028 0.000 1.939 243 M HN 0.933 nan 8.290 nan 0.000 0.477 244 L N 5.459 126.817 121.223 0.224 0.000 2.276 244 L HA 0.591 4.940 4.340 0.016 0.000 0.286 244 L C -0.724 176.060 176.870 -0.144 0.000 1.024 244 L CA -0.416 54.514 54.840 0.149 0.000 0.826 244 L CB 0.841 42.941 42.059 0.068 0.000 1.211 244 L HN 0.716 nan 8.230 nan 0.000 0.422 245 R N 4.574 125.052 120.500 -0.037 0.000 2.198 245 R HA 0.234 4.583 4.340 0.016 0.000 0.339 245 R C 0.102 176.383 176.300 -0.032 0.000 1.020 245 R CA -0.265 55.864 56.100 0.048 0.000 0.864 245 R CB 0.783 31.256 30.300 0.288 0.000 1.105 245 R HN 0.610 nan 8.270 nan 0.000 0.463 246 F N 0.997 120.956 119.950 0.016 0.000 2.163 246 F HA -0.098 4.440 4.527 0.019 0.000 0.297 246 F C 0.893 176.625 175.800 -0.113 0.000 1.094 246 F CA 0.798 58.739 58.000 -0.098 0.000 1.290 246 F CB 0.076 38.973 39.000 -0.171 0.000 1.017 246 F HN 0.548 nan 8.300 nan 0.000 0.483 247 D N -2.654 117.656 120.400 -0.150 0.000 2.825 247 D HA 0.047 4.696 4.640 0.016 0.000 0.327 247 D C 0.082 175.771 176.300 -1.018 0.000 1.277 247 D CA -0.277 53.200 54.000 -0.871 0.000 0.950 247 D CB -0.209 40.326 40.800 -0.443 0.000 1.438 247 D HN -0.050 nan 8.370 nan 0.000 0.526 248 D N -0.678 119.062 120.400 -1.100 0.000 2.378 248 D HA -0.106 4.543 4.640 0.016 0.000 0.222 248 D C 0.936 177.137 176.300 -0.164 0.000 0.980 248 D CA 0.637 54.374 54.000 -0.438 0.000 0.907 248 D CB 0.222 40.914 40.800 -0.180 0.000 0.899 248 D HN 0.362 nan 8.370 nan 0.000 0.527 249 R N -0.864 119.541 120.500 -0.157 0.000 2.257 249 R HA 0.158 4.507 4.340 0.016 0.000 0.195 249 R C 0.487 176.790 176.300 0.005 0.000 0.921 249 R CA -0.051 56.013 56.100 -0.059 0.000 1.069 249 R CB 0.489 30.756 30.300 -0.054 0.000 1.115 249 R HN 0.060 nan 8.270 nan 0.000 0.571 250 Q N 0.559 120.383 119.800 0.039 0.000 2.271 250 Q HA 0.619 4.969 4.340 0.016 0.000 0.258 250 Q C -0.915 175.286 176.000 0.336 0.000 0.936 250 Q CA -0.275 55.631 55.803 0.172 0.000 0.909 250 Q CB 2.188 31.012 28.738 0.145 0.000 1.253 250 Q HN 0.171 nan 8.270 nan 0.000 0.440 251 A N 2.228 125.276 122.820 0.381 0.000 2.593 251 A HA 0.811 5.141 4.320 0.016 0.000 0.290 251 A C -1.896 176.018 177.584 0.550 0.000 1.126 251 A CA -0.626 51.652 52.037 0.402 0.000 0.695 251 A CB 1.603 20.723 19.000 0.201 0.000 1.290 251 A HN 0.541 nan 8.150 nan 0.000 0.414 252 F N 0.907 121.048 119.950 0.318 0.000 2.539 252 F HA 0.721 5.259 4.527 0.018 0.000 0.318 252 F C -1.119 174.869 175.800 0.312 0.000 1.135 252 F CA -0.940 57.274 58.000 0.357 0.000 0.915 252 F CB 1.755 40.947 39.000 0.321 0.000 1.176 252 F HN 0.733 nan 8.300 nan 0.000 0.440 253 L N 3.604 124.581 121.223 -0.409 0.000 2.479 253 L HA 1.164 5.514 4.340 0.016 0.000 0.255 253 L C -0.734 175.693 176.870 -0.739 0.000 1.026 253 L CA -0.621 53.981 54.840 -0.397 0.000 0.842 253 L CB 1.820 43.794 42.059 -0.142 0.000 1.444 253 L HN 0.836 nan 8.230 nan 0.000 0.409 254 G N -0.586 107.476 108.800 -1.231 0.000 2.495 254 G HA2 0.584 4.554 3.960 0.016 0.000 0.294 254 G HA3 0.584 4.554 3.960 0.016 0.000 0.294 254 G C -1.775 172.628 174.900 -0.829 0.000 1.397 254 G CA -0.529 44.005 45.100 -0.942 0.000 0.790 254 G HN 0.696 nan 8.290 nan 0.000 0.486 255 S N 0.069 115.598 115.700 -0.284 0.000 2.524 255 S HA 0.586 5.066 4.470 0.016 0.000 0.227 255 S C -0.432 174.184 174.600 0.027 0.000 1.304 255 S CA -0.409 57.707 58.200 -0.141 0.000 1.185 255 S CB 1.186 64.375 63.200 -0.018 0.000 1.104 255 S HN 0.878 nan 8.310 nan 0.000 0.475 256 S N 3.807 119.621 115.700 0.191 0.000 2.462 256 S HA 0.506 4.986 4.470 0.016 0.000 0.294 256 S C -1.787 172.945 174.600 0.220 0.000 1.144 256 S CA -1.922 56.438 58.200 0.266 0.000 1.088 256 S CB 0.968 64.406 63.200 0.398 0.000 1.009 256 S HN 0.388 nan 8.310 nan 0.000 0.484 257 P HA 0.045 nan 4.420 nan 0.000 0.241 257 P C -0.057 177.365 177.300 0.204 0.000 1.191 257 P CA 0.412 63.596 63.100 0.139 0.000 0.771 257 P CB 0.100 31.889 31.700 0.149 0.000 0.929 258 E N 0.730 121.080 120.200 0.250 0.000 2.158 258 E HA 0.267 4.627 4.350 0.016 0.000 0.271 258 E C -0.235 176.491 176.600 0.211 0.000 0.911 258 E CA -1.088 55.434 56.400 0.203 0.000 0.767 258 E CB 1.269 31.036 29.700 0.111 0.000 1.120 258 E HN -0.122 nan 8.360 nan 0.000 0.405 259 R N 4.611 125.251 120.500 0.233 0.000 2.340 259 R HA 0.108 4.457 4.340 0.016 0.000 0.300 259 R C 0.431 176.767 176.300 0.060 0.000 1.069 259 R CA -0.374 55.797 56.100 0.118 0.000 0.984 259 R CB 0.782 31.225 30.300 0.238 0.000 1.003 259 R HN 0.674 nan 8.270 nan 0.000 0.459 260 L N 5.118 126.344 121.223 0.005 0.000 1.993 260 L HA 0.089 4.439 4.340 0.016 0.000 0.206 260 L C -0.280 176.702 176.870 0.186 0.000 1.074 260 L CA 1.530 56.417 54.840 0.078 0.000 0.746 260 L CB -0.193 41.907 42.059 0.069 0.000 0.896 260 L HN 0.774 nan 8.230 nan 0.000 0.435 261 Y N -2.297 118.020 120.300 0.028 0.000 2.592 261 Y HA 0.556 5.117 4.550 0.018 0.000 0.334 261 Y C -1.592 174.316 175.900 0.013 0.000 1.136 261 Y CA -2.131 55.979 58.100 0.017 0.000 1.042 261 Y CB 0.590 39.044 38.460 -0.009 0.000 1.325 261 Y HN 0.008 nan 8.280 nan 0.000 0.457 262 L N 3.777 125.095 121.223 0.158 0.000 2.341 262 L HA 0.718 5.067 4.340 0.016 0.000 0.278 262 L C -0.995 175.991 176.870 0.194 0.000 1.005 262 L CA -0.797 54.096 54.840 0.087 0.000 0.818 262 L CB 1.803 43.952 42.059 0.149 0.000 1.259 262 L HN 0.887 nan 8.230 nan 0.000 0.418 263 R N 3.798 124.392 120.500 0.157 0.000 2.513 263 R HA 0.536 4.886 4.340 0.016 0.000 0.301 263 R C -1.390 174.977 176.300 0.110 0.000 0.968 263 R CA -0.462 55.734 56.100 0.159 0.000 0.872 263 R CB 1.298 31.733 30.300 0.224 0.000 1.177 263 R HN 0.789 nan 8.270 nan 0.000 0.444 264 Q N 3.840 123.727 119.800 0.144 0.000 2.464 264 Q HA 0.192 4.541 4.340 0.016 0.000 0.256 264 Q C -0.509 175.559 176.000 0.113 0.000 1.020 264 Q CA -0.530 55.351 55.803 0.130 0.000 0.716 264 Q CB 2.071 30.907 28.738 0.163 0.000 1.230 264 Q HN 0.778 nan 8.270 nan 0.000 0.494 265 Q N 0.132 119.972 119.800 0.067 0.000 1.786 265 Q HA -0.310 4.039 4.340 0.016 0.000 0.369 265 Q C 0.427 176.458 176.000 0.051 0.000 0.796 265 Q CA 1.674 57.505 55.803 0.046 0.000 0.877 265 Q CB -0.976 27.787 28.738 0.040 0.000 3.276 265 Q HN 0.651 nan 8.270 nan 0.000 0.718 266 L N 0.011 121.267 121.223 0.056 0.000 2.607 266 L HA 0.168 4.518 4.340 0.016 0.000 0.228 266 L C 0.674 177.584 176.870 0.067 0.000 1.123 266 L CA -0.155 54.708 54.840 0.038 0.000 0.890 266 L CB -0.061 42.012 42.059 0.023 0.000 1.103 266 L HN 0.359 nan 8.230 nan 0.000 0.468 267 H N 1.149 120.226 119.070 0.012 0.000 2.722 267 H HA 0.416 4.981 4.556 0.015 0.000 0.328 267 H C -0.839 174.511 175.328 0.037 0.000 1.067 267 H CA 0.078 56.139 56.048 0.022 0.000 1.447 267 H CB 0.804 30.583 29.762 0.028 0.000 1.469 267 H HN -0.006 nan 8.280 nan 0.000 0.544 268 L N 4.804 125.702 121.223 -0.541 0.000 2.386 268 L HA 0.443 4.792 4.340 0.016 0.000 0.271 268 L C -1.127 175.482 176.870 -0.435 0.000 0.993 268 L CA -0.520 54.109 54.840 -0.352 0.000 0.819 268 L CB 1.581 43.533 42.059 -0.178 0.000 1.294 268 L HN 0.768 nan 8.230 nan 0.000 0.414 269 E N 2.796 122.886 120.200 -0.183 0.000 2.212 269 E HA 0.536 4.896 4.350 0.016 0.000 0.268 269 E C -1.097 175.542 176.600 0.064 0.000 0.902 269 E CA -0.665 55.711 56.400 -0.040 0.000 0.779 269 E CB 2.633 32.371 29.700 0.063 0.000 1.172 269 E HN 0.544 nan 8.360 nan 0.000 0.409 270 T N 1.011 115.600 114.554 0.058 0.000 2.591 270 T HA 0.454 4.813 4.350 0.016 0.000 0.274 270 T C -1.848 172.895 174.700 0.072 0.000 0.945 270 T CA -0.594 61.559 62.100 0.087 0.000 1.087 270 T CB 1.401 70.315 68.868 0.076 0.000 1.416 270 T HN 0.674 nan 8.240 nan 0.000 0.514 271 E N -0.223 120.017 120.200 0.066 0.000 2.380 271 E HA 0.601 4.961 4.350 0.016 0.000 0.281 271 E C -1.648 174.977 176.600 0.041 0.000 0.999 271 E CA -1.273 55.160 56.400 0.056 0.000 0.800 271 E CB 1.225 30.969 29.700 0.074 0.000 1.228 271 E HN 0.696 nan 8.360 nan 0.000 0.436 272 A N 2.412 125.250 122.820 0.030 0.000 2.260 272 A HA 0.534 4.864 4.320 0.016 0.000 0.312 272 A C -1.014 176.577 177.584 0.011 0.000 1.321 272 A CA -0.586 51.461 52.037 0.017 0.000 0.928 272 A CB 0.262 19.270 19.000 0.014 0.000 1.158 272 A HN 0.422 nan 8.150 nan 0.000 0.542 273 L N 3.251 124.467 121.223 -0.011 0.000 2.318 273 L HA 0.769 5.119 4.340 0.016 0.000 0.277 273 L C -0.102 176.697 176.870 -0.118 0.000 1.008 273 L CA 0.428 55.231 54.840 -0.061 0.000 0.846 273 L CB 0.973 42.984 42.059 -0.079 0.000 1.220 273 L HN 1.012 nan 8.230 nan 0.000 0.423 274 A N 3.300 126.076 122.820 -0.072 0.000 2.583 274 A HA 0.716 5.046 4.320 0.016 0.000 0.298 274 A C -0.249 177.374 177.584 0.064 0.000 1.055 274 A CA -0.097 51.928 52.037 -0.021 0.000 0.714 274 A CB 0.730 19.731 19.000 0.000 0.000 1.277 274 A HN 1.683 nan 8.150 nan 0.000 0.406 275 G N 0.943 109.816 108.800 0.121 0.000 3.338 275 G HA2 0.507 4.476 3.960 0.016 0.000 0.686 275 G HA3 0.507 4.476 3.960 0.016 0.000 0.686 275 G C -0.589 174.467 174.900 0.261 0.000 1.053 275 G CA -0.102 45.091 45.100 0.154 0.000 0.852 275 G HN 1.813 nan 8.290 nan 0.000 0.545 276 T N 0.902 115.602 114.554 0.244 0.000 2.903 276 T HA 0.901 5.261 4.350 0.016 0.000 0.299 276 T C 0.318 175.128 174.700 0.184 0.000 1.093 276 T CA -0.190 62.035 62.100 0.210 0.000 1.002 276 T CB 2.313 71.301 68.868 0.200 0.000 1.127 276 T HN 2.001 nan 8.240 nan 0.000 0.488 277 V N -1.249 118.733 119.914 0.114 0.000 3.159 277 V HA 0.865 4.995 4.120 0.016 0.000 0.308 277 V C -0.024 176.074 176.094 0.007 0.000 1.190 277 V CA -1.385 60.970 62.300 0.092 0.000 1.037 277 V CB 1.625 33.544 31.823 0.160 0.000 1.060 277 V HN 1.018 nan 8.190 nan 0.000 0.437 278 S N 1.589 117.279 115.700 -0.017 0.000 2.573 278 S HA 0.275 4.754 4.470 0.016 0.000 0.277 278 S C -0.029 174.557 174.600 -0.024 0.000 1.346 278 S CA -0.139 58.043 58.200 -0.029 0.000 1.034 278 S CB 0.186 63.365 63.200 -0.034 0.000 0.879 278 S HN 1.057 nan 8.310 nan 0.000 0.528 279 N N 0.417 119.100 118.700 -0.028 0.000 2.463 279 N HA 0.574 5.323 4.740 0.016 0.000 0.270 279 N C -1.168 174.335 175.510 -0.013 0.000 1.205 279 N CA -0.502 52.538 53.050 -0.017 0.000 0.974 279 N CB 0.244 38.720 38.487 -0.017 0.000 1.197 279 N HN 0.688 nan 8.380 nan 0.000 0.504 280 L N 0.992 122.212 121.223 -0.006 0.000 2.445 280 L HA 0.307 4.656 4.340 0.016 0.000 0.262 280 L C 0.259 177.129 176.870 0.000 0.000 0.974 280 L CA -0.827 54.009 54.840 -0.006 0.000 0.822 280 L CB 2.061 44.114 42.059 -0.009 0.000 1.339 280 L HN 0.482 nan 8.230 nan 0.000 0.409 281 D N 0.098 120.498 120.400 -0.000 0.000 2.133 281 D HA -0.139 4.510 4.640 0.016 0.000 0.195 281 D C 1.177 177.480 176.300 0.004 0.000 0.997 281 D CA 1.182 55.184 54.000 0.004 0.000 0.840 281 D CB 0.142 40.943 40.800 0.002 0.000 0.947 281 D HN 0.395 nan 8.370 nan 0.000 0.452 282 S N 0.824 116.525 115.700 0.002 0.000 2.509 282 S HA -0.050 4.430 4.470 0.016 0.000 0.287 282 S C 0.784 175.388 174.600 0.006 0.000 1.248 282 S CA -0.633 57.569 58.200 0.003 0.000 1.089 282 S CB 0.520 63.721 63.200 0.002 0.000 0.900 282 S HN -0.057 nan 8.310 nan 0.000 0.496 283 D N 6.211 126.615 120.400 0.007 0.000 2.106 283 D HA -0.094 4.555 4.640 0.016 0.000 0.191 283 D C -0.574 175.734 176.300 0.014 0.000 0.997 283 D CA 1.490 55.495 54.000 0.009 0.000 0.834 283 D CB -1.258 39.546 40.800 0.006 0.000 0.956 283 D HN 0.553 nan 8.370 nan 0.000 0.448 284 P HA -0.058 nan 4.420 nan 0.000 0.222 284 P C 1.305 178.616 177.300 0.019 0.000 1.153 284 P CA 1.111 64.222 63.100 0.018 0.000 0.798 284 P CB 0.054 31.763 31.700 0.014 0.000 0.796 285 Q N -0.027 119.781 119.800 0.013 0.000 2.079 285 Q HA -0.068 4.282 4.340 0.016 0.000 0.200 285 Q C 2.398 178.408 176.000 0.017 0.000 0.974 285 Q CA 1.658 57.467 55.803 0.010 0.000 0.840 285 Q CB -0.660 28.079 28.738 0.001 0.000 0.898 285 Q HN 0.174 nan 8.270 nan 0.000 0.430 286 A N 1.195 124.025 122.820 0.017 0.000 1.902 286 A HA -0.168 4.162 4.320 0.016 0.000 0.217 286 A C 2.311 179.920 177.584 0.041 0.000 1.181 286 A CA 1.671 53.722 52.037 0.024 0.000 0.623 286 A CB -0.902 18.109 19.000 0.018 0.000 0.818 286 A HN 0.406 nan 8.150 nan 0.000 0.443 287 A N -0.726 122.118 122.820 0.040 0.000 1.883 287 A HA -0.060 4.270 4.320 0.016 0.000 0.217 287 A C 2.266 179.895 177.584 0.075 0.000 1.186 287 A CA 1.843 53.912 52.037 0.053 0.000 0.624 287 A CB -1.087 17.939 19.000 0.043 0.000 0.822 287 A HN 0.435 nan 8.150 nan 0.000 0.444 288 V N -0.063 119.891 119.914 0.067 0.000 2.332 288 V HA -0.266 3.863 4.120 0.016 0.000 0.248 288 V C 2.566 178.738 176.094 0.130 0.000 1.055 288 V CA 2.183 64.534 62.300 0.086 0.000 1.038 288 V CB -0.529 31.327 31.823 0.055 0.000 0.651 288 V HN 0.597 nan 8.190 nan 0.000 0.450 289 L N -0.552 120.734 121.223 0.104 0.000 2.156 289 L HA -0.072 4.278 4.340 0.016 0.000 0.208 289 L C 2.635 179.644 176.870 0.230 0.000 1.095 289 L CA 1.258 56.184 54.840 0.143 0.000 0.770 289 L CB -0.721 41.370 42.059 0.054 0.000 0.914 289 L HN 0.351 nan 8.230 nan 0.000 0.439 290 A N -0.195 122.719 122.820 0.157 0.000 1.877 290 A HA -0.264 4.065 4.320 0.016 0.000 0.216 290 A C 2.053 179.728 177.584 0.152 0.000 1.186 290 A CA 1.938 54.058 52.037 0.138 0.000 0.620 290 A CB -0.588 18.464 19.000 0.087 0.000 0.822 290 A HN 0.360 nan 8.150 nan 0.000 0.443 291 D N -1.301 119.201 120.400 0.171 0.000 2.106 291 D HA -0.222 4.428 4.640 0.016 0.000 0.191 291 D C 1.683 178.158 176.300 0.291 0.000 0.997 291 D CA 1.640 55.771 54.000 0.219 0.000 0.834 291 D CB -0.421 40.501 40.800 0.202 0.000 0.956 291 D HN 0.647 nan 8.370 nan 0.000 0.448 292 W N 0.765 122.135 121.300 0.116 0.000 2.338 292 W HA -0.212 4.457 4.660 0.015 0.000 0.304 292 W C 2.146 178.722 176.519 0.096 0.000 1.212 292 W CA 1.361 58.770 57.345 0.106 0.000 1.264 292 W CB -0.595 28.902 29.460 0.062 0.000 1.142 292 W HN 0.089 nan 8.180 nan 0.000 0.512 293 L N 0.782 122.157 121.223 0.254 0.000 2.017 293 L HA -0.172 4.177 4.340 0.016 0.000 0.208 293 L C 2.453 179.233 176.870 -0.150 0.000 1.073 293 L CA 2.544 57.413 54.840 0.049 0.000 0.745 293 L CB -1.385 40.805 42.059 0.217 0.000 0.894 293 L HN 0.140 nan 8.230 nan 0.000 0.432 294 M N -0.433 119.105 119.600 -0.103 0.000 2.143 294 M HA -0.258 4.232 4.480 0.016 0.000 0.258 294 M C 1.725 177.767 176.300 -0.429 0.000 1.071 294 M CA 1.959 57.108 55.300 -0.252 0.000 1.088 294 M CB -0.674 31.755 32.600 -0.285 0.000 1.360 294 M HN 0.476 nan 8.290 nan 0.000 0.404 295 H N -1.971 116.979 119.070 -0.200 0.000 2.549 295 H HA 0.273 4.838 4.556 0.016 0.000 0.279 295 H C -0.526 174.586 175.328 -0.360 0.000 1.018 295 H CA -0.153 55.761 56.048 -0.223 0.000 1.175 295 H CB -0.030 29.633 29.762 -0.165 0.000 1.485 295 H HN 0.317 nan 8.280 nan 0.000 0.543 296 D N 0.556 120.675 120.400 -0.468 0.000 2.316 296 D HA -0.008 4.642 4.640 0.016 0.000 0.245 296 D C 1.257 177.380 176.300 -0.295 0.000 1.171 296 D CA -0.076 53.567 54.000 -0.594 0.000 0.856 296 D CB 0.936 41.057 40.800 -1.132 0.000 1.090 296 D HN 0.275 nan 8.370 nan 0.000 0.476 297 E N 3.498 123.586 120.200 -0.186 0.000 2.058 297 E HA -0.272 4.087 4.350 0.016 0.000 0.194 297 E C 1.528 178.086 176.600 -0.070 0.000 0.997 297 E CA 1.056 57.398 56.400 -0.097 0.000 0.801 297 E CB 0.205 29.872 29.700 -0.056 0.000 0.746 297 E HN 0.489 nan 8.360 nan 0.000 0.450 298 K N 0.240 120.605 120.400 -0.058 0.000 2.026 298 K HA -0.167 4.163 4.320 0.016 0.000 0.208 298 K C 1.946 178.543 176.600 -0.005 0.000 1.048 298 K CA 1.558 57.840 56.287 -0.008 0.000 0.929 298 K CB -0.074 32.448 32.500 0.036 0.000 0.713 298 K HN 0.118 nan 8.250 nan 0.000 0.439 299 N N 0.397 119.081 118.700 -0.027 0.000 2.188 299 N HA -0.140 4.610 4.740 0.016 0.000 0.184 299 N C 1.870 177.371 175.510 -0.016 0.000 1.018 299 N CA 0.933 53.983 53.050 0.001 0.000 0.858 299 N CB -0.021 38.471 38.487 0.008 0.000 0.989 299 N HN 0.317 nan 8.380 nan 0.000 0.426 300 Q N 1.142 120.908 119.800 -0.057 0.000 2.061 300 Q HA -0.075 4.275 4.340 0.016 0.000 0.204 300 Q C 2.103 178.088 176.000 -0.024 0.000 0.984 300 Q CA 1.141 56.915 55.803 -0.049 0.000 0.846 300 Q CB -0.315 28.378 28.738 -0.074 0.000 0.902 300 Q HN 0.384 nan 8.270 nan 0.000 0.421 301 R N 0.535 121.023 120.500 -0.021 0.000 2.091 301 R HA -0.160 4.189 4.340 0.016 0.000 0.238 301 R C 2.283 178.584 176.300 0.002 0.000 1.136 301 R CA 1.420 57.514 56.100 -0.009 0.000 0.959 301 R CB -0.244 30.052 30.300 -0.006 0.000 0.856 301 R HN 0.394 nan 8.270 nan 0.000 0.437 302 E N 0.803 121.009 120.200 0.010 0.000 2.058 302 E HA -0.259 4.101 4.350 0.016 0.000 0.194 302 E C 1.883 178.493 176.600 0.017 0.000 0.997 302 E CA 1.211 57.623 56.400 0.020 0.000 0.801 302 E CB -0.140 29.582 29.700 0.036 0.000 0.746 302 E HN 0.286 nan 8.360 nan 0.000 0.450 303 N N 0.475 119.184 118.700 0.015 0.000 2.104 303 N HA -0.175 4.575 4.740 0.016 0.000 0.190 303 N C 2.133 177.647 175.510 0.006 0.000 1.024 303 N CA 1.065 54.123 53.050 0.012 0.000 0.853 303 N CB -0.112 38.382 38.487 0.011 0.000 1.008 303 N HN 0.226 nan 8.380 nan 0.000 0.424 304 L N 0.769 121.992 121.223 0.001 0.000 2.141 304 L HA -0.071 4.278 4.340 0.016 0.000 0.209 304 L C 2.354 179.225 176.870 0.001 0.000 1.094 304 L CA 0.484 55.324 54.840 -0.001 0.000 0.763 304 L CB -0.217 41.839 42.059 -0.005 0.000 0.908 304 L HN 0.164 nan 8.230 nan 0.000 0.437 305 L N -1.354 119.871 121.223 0.003 0.000 2.141 305 L HA -0.146 4.204 4.340 0.016 0.000 0.209 305 L C 2.446 179.319 176.870 0.005 0.000 1.094 305 L CA 0.486 55.328 54.840 0.004 0.000 0.763 305 L CB -0.521 41.541 42.059 0.005 0.000 0.908 305 L HN 0.061 nan 8.230 nan 0.000 0.437 306 V N -0.690 119.229 119.914 0.007 0.000 2.295 306 V HA -0.236 3.894 4.120 0.016 0.000 0.246 306 V C 2.469 178.566 176.094 0.006 0.000 1.049 306 V CA 1.478 63.783 62.300 0.008 0.000 1.024 306 V CB -0.318 31.510 31.823 0.009 0.000 0.648 306 V HN 0.191 nan 8.190 nan 0.000 0.447 307 V N 0.401 120.318 119.914 0.005 0.000 2.332 307 V HA -0.284 3.846 4.120 0.016 0.000 0.248 307 V C 2.307 178.401 176.094 0.000 0.000 1.055 307 V CA 2.270 64.573 62.300 0.004 0.000 1.038 307 V CB -0.750 31.076 31.823 0.004 0.000 0.651 307 V HN 0.562 nan 8.190 nan 0.000 0.450 308 D N -0.239 120.161 120.400 -0.000 0.000 2.117 308 D HA -0.186 4.464 4.640 0.016 0.000 0.197 308 D C 1.925 178.223 176.300 -0.005 0.000 0.987 308 D CA 1.750 55.748 54.000 -0.003 0.000 0.829 308 D CB -0.357 40.442 40.800 -0.002 0.000 0.961 308 D HN 0.583 nan 8.370 nan 0.000 0.460 309 D N 0.111 120.509 120.400 -0.002 0.000 2.097 309 D HA -0.108 4.542 4.640 0.016 0.000 0.195 309 D C 2.156 178.451 176.300 -0.009 0.000 0.989 309 D CA 0.824 54.821 54.000 -0.004 0.000 0.827 309 D CB -0.100 40.701 40.800 0.001 0.000 0.966 309 D HN 0.119 nan 8.370 nan 0.000 0.456 310 I N -0.001 120.565 120.570 -0.007 0.000 2.179 310 I HA -0.327 3.852 4.170 0.016 0.000 0.242 310 I C 2.437 178.542 176.117 -0.019 0.000 1.088 310 I CA 0.723 62.016 61.300 -0.011 0.000 1.357 310 I CB -0.289 37.710 38.000 -0.003 0.000 1.051 310 I HN 0.284 nan 8.210 nan 0.000 0.409 311 C N -0.075 119.216 119.300 -0.015 0.000 2.429 311 C HA -0.172 4.298 4.460 0.016 0.000 0.277 311 C C 2.841 177.818 174.990 -0.022 0.000 1.262 311 C CA 0.637 59.644 59.018 -0.018 0.000 1.733 311 C CB -1.028 26.705 27.740 -0.012 0.000 2.010 311 C HN 0.544 nan 8.230 nan 0.000 0.483 312 Q N 1.087 120.876 119.800 -0.018 0.000 2.124 312 Q HA -0.137 4.212 4.340 0.016 0.000 0.202 312 Q C 2.273 178.257 176.000 -0.027 0.000 0.977 312 Q CA 1.604 57.396 55.803 -0.020 0.000 0.850 312 Q CB -0.270 28.459 28.738 -0.015 0.000 0.901 312 Q HN 0.646 nan 8.270 nan 0.000 0.429 313 R N -0.537 119.945 120.500 -0.031 0.000 2.148 313 R HA 0.052 4.401 4.340 0.016 0.000 0.223 313 R C 2.372 178.640 176.300 -0.053 0.000 1.088 313 R CA 0.619 56.695 56.100 -0.041 0.000 0.985 313 R CB -0.011 30.263 30.300 -0.044 0.000 0.880 313 R HN 0.217 nan 8.270 nan 0.000 0.451 314 L N 1.175 122.366 121.223 -0.053 0.000 2.341 314 L HA -0.086 4.264 4.340 0.016 0.000 0.214 314 L C 2.590 179.428 176.870 -0.054 0.000 1.115 314 L CA 0.653 55.455 54.840 -0.064 0.000 0.820 314 L CB -0.319 41.702 42.059 -0.062 0.000 0.944 314 L HN 0.277 nan 8.230 nan 0.000 0.452 315 Q N 0.136 119.911 119.800 -0.041 0.000 2.124 315 Q HA -0.142 4.208 4.340 0.016 0.000 0.202 315 Q C 1.927 177.906 176.000 -0.035 0.000 0.977 315 Q CA 1.746 57.529 55.803 -0.034 0.000 0.850 315 Q CB -0.666 28.056 28.738 -0.026 0.000 0.901 315 Q HN 0.372 nan 8.270 nan 0.000 0.429 316 G N 0.345 109.123 108.800 -0.038 0.000 2.848 316 G HA2 0.093 4.063 3.960 0.016 0.000 0.208 316 G HA3 0.093 4.063 3.960 0.016 0.000 0.208 316 G C 0.935 175.809 174.900 -0.042 0.000 1.152 316 G CA 0.318 45.396 45.100 -0.037 0.000 0.789 316 G HN 0.498 nan 8.290 nan 0.000 0.531 317 G N -0.271 108.498 108.800 -0.052 0.000 3.735 317 G HA2 0.433 4.403 3.960 0.016 0.000 0.283 317 G HA3 0.433 4.403 3.960 0.016 0.000 0.283 317 G C -0.130 174.735 174.900 -0.058 0.000 1.007 317 G CA 0.540 45.604 45.100 -0.060 0.000 0.821 317 G HN 0.725 nan 8.290 nan 0.000 0.505 318 V N -2.743 117.143 119.914 -0.047 0.000 2.962 318 V HA 0.751 4.881 4.120 0.016 0.000 0.313 318 V C 0.921 176.998 176.094 -0.028 0.000 1.099 318 V CA 0.125 62.400 62.300 -0.042 0.000 0.971 318 V CB 1.388 33.184 31.823 -0.045 0.000 1.028 318 V HN 0.124 nan 8.190 nan 0.000 0.430 319 T N -0.967 113.574 114.554 -0.021 0.000 3.054 319 T HA 0.648 5.007 4.350 0.016 0.000 0.259 319 T C 0.623 175.318 174.700 -0.009 0.000 1.092 319 T CA 0.698 62.790 62.100 -0.013 0.000 1.121 319 T CB 0.158 69.022 68.868 -0.008 0.000 0.912 319 T HN 1.986 nan 8.240 nan 0.000 0.489 320 A N 0.248 123.063 122.820 -0.008 0.000 2.589 320 A HA 0.688 5.018 4.320 0.016 0.000 0.296 320 A C -1.492 176.088 177.584 -0.007 0.000 1.062 320 A CA -0.775 51.260 52.037 -0.003 0.000 0.686 320 A CB 1.739 20.744 19.000 0.008 0.000 1.282 320 A HN 0.376 nan 8.150 nan 0.000 0.404 321 V N 1.064 120.974 119.914 -0.006 0.000 2.971 321 V HA 0.815 4.945 4.120 0.016 0.000 0.309 321 V C -1.157 174.938 176.094 0.002 0.000 1.130 321 V CA -0.597 61.698 62.300 -0.008 0.000 0.964 321 V CB 2.193 34.006 31.823 -0.017 0.000 1.029 321 V HN 1.000 nan 8.190 nan 0.000 0.427 322 D N 0.745 121.150 120.400 0.008 0.000 2.622 322 D HA 0.690 5.339 4.640 0.016 0.000 0.255 322 D C -1.804 174.506 176.300 0.017 0.000 1.246 322 D CA -0.134 53.874 54.000 0.013 0.000 0.795 322 D CB 2.792 43.605 40.800 0.021 0.000 1.369 322 D HN 0.349 nan 8.370 nan 0.000 0.425 323 V N 2.211 122.135 119.914 0.017 0.000 2.588 323 V HA 0.463 4.593 4.120 0.016 0.000 0.304 323 V C 0.478 176.584 176.094 0.020 0.000 1.042 323 V CA -0.735 61.575 62.300 0.018 0.000 0.877 323 V CB 1.622 33.452 31.823 0.011 0.000 0.996 323 V HN 0.513 nan 8.190 nan 0.000 0.425 324 M N 4.155 123.771 119.600 0.026 0.000 2.267 324 M HA 0.447 4.937 4.480 0.016 0.000 0.303 324 M C -2.370 173.941 176.300 0.017 0.000 1.164 324 M CA -1.556 53.759 55.300 0.025 0.000 1.060 324 M CB 0.556 33.176 32.600 0.035 0.000 1.455 324 M HN 0.318 nan 8.290 nan 0.000 0.483 325 P HA 0.119 nan 4.420 nan 0.000 0.269 325 P C -2.437 174.865 177.300 0.004 0.000 1.215 325 P CA -0.578 62.525 63.100 0.004 0.000 0.780 325 P CB -0.477 31.225 31.700 0.003 0.000 0.898 326 P HA 0.084 nan 4.420 nan 0.000 0.271 326 P C -0.609 176.689 177.300 -0.003 0.000 1.218 326 P CA 0.200 63.295 63.100 -0.007 0.000 0.780 326 P CB 0.843 32.526 31.700 -0.029 0.000 0.901 327 E N 1.393 121.601 120.200 0.014 0.000 2.446 327 E HA 0.512 4.872 4.350 0.016 0.000 0.276 327 E C -0.948 175.674 176.600 0.037 0.000 0.969 327 E CA -1.041 55.370 56.400 0.020 0.000 0.800 327 E CB 1.193 30.910 29.700 0.028 0.000 1.341 327 E HN 0.113 nan 8.360 nan 0.000 0.460 328 I N 1.954 122.548 120.570 0.040 0.000 2.336 328 I HA 0.260 4.440 4.170 0.016 0.000 0.292 328 I C -0.252 175.904 176.117 0.064 0.000 0.991 328 I CA -0.897 60.437 61.300 0.056 0.000 1.227 328 I CB 0.972 39.001 38.000 0.048 0.000 1.366 328 I HN 0.518 nan 8.210 nan 0.000 0.466 329 I N 6.482 127.106 120.570 0.090 0.000 2.312 329 I HA 0.283 4.462 4.170 0.016 0.000 0.290 329 I C 0.633 176.786 176.117 0.060 0.000 1.008 329 I CA -0.568 60.782 61.300 0.085 0.000 1.226 329 I CB 0.736 38.810 38.000 0.124 0.000 1.371 329 I HN 0.517 nan 8.210 nan 0.000 0.468 330 R N 7.357 127.881 120.500 0.040 0.000 2.220 330 R HA 0.552 4.902 4.340 0.016 0.000 0.340 330 R C -1.061 175.255 176.300 0.027 0.000 1.076 330 R CA -0.288 55.826 56.100 0.023 0.000 0.920 330 R CB 0.454 30.767 30.300 0.023 0.000 1.062 330 R HN 0.586 nan 8.270 nan 0.000 0.469 331 L N 3.023 124.252 121.223 0.010 0.000 2.433 331 L HA 0.444 4.794 4.340 0.016 0.000 0.265 331 L C 1.884 178.764 176.870 0.016 0.000 1.049 331 L CA -1.027 53.828 54.840 0.024 0.000 0.805 331 L CB 0.710 42.783 42.059 0.023 0.000 1.373 331 L HN 0.612 nan 8.230 nan 0.000 0.479 332 R N 0.019 120.530 120.500 0.019 0.000 2.080 332 R HA -0.120 4.230 4.340 0.016 0.000 0.236 332 R C 1.338 177.636 176.300 -0.004 0.000 1.137 332 R CA 1.618 57.724 56.100 0.010 0.000 0.943 332 R CB 0.156 30.448 30.300 -0.013 0.000 0.846 332 R HN 0.432 nan 8.270 nan 0.000 0.431 333 K N -0.444 119.948 120.400 -0.014 0.000 2.360 333 K HA 0.130 4.459 4.320 0.016 0.000 0.196 333 K C 0.288 176.864 176.600 -0.039 0.000 1.049 333 K CA 0.338 56.613 56.287 -0.020 0.000 1.049 333 K CB 1.330 33.822 32.500 -0.015 0.000 0.881 333 K HN 0.185 nan 8.250 nan 0.000 0.542 334 V N -1.562 118.310 119.914 -0.071 0.000 3.130 334 V HA 0.527 4.656 4.120 0.016 0.000 0.310 334 V C -1.428 174.551 176.094 -0.192 0.000 1.158 334 V CA -1.093 61.120 62.300 -0.144 0.000 1.029 334 V CB 2.340 34.030 31.823 -0.222 0.000 1.057 334 V HN -0.004 nan 8.190 nan 0.000 0.436 335 Q N 1.318 120.991 119.800 -0.211 0.000 2.337 335 Q HA 0.598 4.948 4.340 0.016 0.000 0.270 335 Q C -1.544 174.347 176.000 -0.181 0.000 1.043 335 Q CA -0.705 55.015 55.803 -0.139 0.000 0.794 335 Q CB 2.467 31.195 28.738 -0.018 0.000 1.281 335 Q HN 0.849 nan 8.270 nan 0.000 0.446 336 H N 1.085 120.196 119.070 0.068 0.000 2.621 336 H HA 0.378 4.943 4.556 0.015 0.000 0.360 336 H C -0.695 174.666 175.328 0.055 0.000 1.163 336 H CA -0.817 55.272 56.048 0.068 0.000 1.194 336 H CB 1.600 31.402 29.762 0.066 0.000 1.649 336 H HN 0.348 nan 8.280 nan 0.000 0.532 337 L N 2.270 123.616 121.223 0.205 0.000 2.380 337 L HA 0.253 4.603 4.340 0.016 0.000 0.273 337 L C 0.508 177.433 176.870 0.092 0.000 1.138 337 L CA 0.327 55.231 54.840 0.106 0.000 0.832 337 L CB 0.084 42.182 42.059 0.064 0.000 1.124 337 L HN 0.423 nan 8.230 nan 0.000 0.454 338 R N 4.350 124.890 120.500 0.067 0.000 2.574 338 R HA 0.491 4.840 4.340 0.016 0.000 0.288 338 R C -1.229 175.095 176.300 0.040 0.000 1.004 338 R CA -0.680 55.453 56.100 0.055 0.000 0.895 338 R CB 1.445 31.787 30.300 0.070 0.000 1.191 338 R HN 0.652 nan 8.270 nan 0.000 0.444 339 R N 3.635 124.155 120.500 0.034 0.000 2.409 339 R HA 0.374 4.724 4.340 0.016 0.000 0.313 339 R C -0.343 175.981 176.300 0.038 0.000 0.953 339 R CA -0.818 55.300 56.100 0.030 0.000 0.849 339 R CB 2.101 32.413 30.300 0.019 0.000 1.171 339 R HN 0.473 nan 8.270 nan 0.000 0.458 340 R N 2.765 123.293 120.500 0.047 0.000 2.590 340 R HA 0.215 4.564 4.340 0.016 0.000 0.274 340 R C -0.002 176.324 176.300 0.044 0.000 1.061 340 R CA 0.372 56.505 56.100 0.055 0.000 1.081 340 R CB 0.480 30.821 30.300 0.068 0.000 0.984 340 R HN 0.437 nan 8.270 nan 0.000 0.448 341 I N 2.556 123.150 120.570 0.039 0.000 2.418 341 I HA 0.243 4.423 4.170 0.016 0.000 0.287 341 I C -0.572 175.551 176.117 0.011 0.000 1.008 341 I CA -0.686 60.628 61.300 0.022 0.000 1.104 341 I CB 1.836 39.843 38.000 0.013 0.000 1.264 341 I HN 0.576 nan 8.210 nan 0.000 0.438 342 C N 5.434 124.741 119.300 0.012 0.000 2.382 342 C HA 0.927 5.397 4.460 0.016 0.000 0.327 342 C C 0.452 175.425 174.990 -0.029 0.000 1.250 342 C CA -0.262 58.753 59.018 -0.005 0.000 1.707 342 C CB 0.770 28.563 27.740 0.088 0.000 2.272 342 C HN 0.852 nan 8.230 nan 0.000 0.506 343 A N 2.668 125.428 122.820 -0.100 0.000 2.515 343 A HA 0.786 5.115 4.320 0.016 0.000 0.296 343 A C -1.291 176.257 177.584 -0.061 0.000 1.094 343 A CA -0.459 51.538 52.037 -0.068 0.000 0.718 343 A CB 1.266 20.218 19.000 -0.080 0.000 1.307 343 A HN 0.809 nan 8.150 nan 0.000 0.408 344 Q N 1.378 121.169 119.800 -0.014 0.000 2.333 344 Q HA 0.597 4.946 4.340 0.016 0.000 0.265 344 Q C -1.373 174.612 176.000 -0.024 0.000 0.989 344 Q CA -0.474 55.332 55.803 0.004 0.000 0.842 344 Q CB 0.886 29.642 28.738 0.031 0.000 1.262 344 Q HN 0.726 nan 8.270 nan 0.000 0.451 345 L N 2.153 123.355 121.223 -0.035 0.000 2.439 345 L HA 0.131 4.481 4.340 0.016 0.000 0.269 345 L C 1.334 178.183 176.870 -0.035 0.000 1.179 345 L CA -0.125 54.685 54.840 -0.051 0.000 0.828 345 L CB 1.023 43.042 42.059 -0.066 0.000 1.106 345 L HN 0.767 nan 8.230 nan 0.000 0.467 346 S N 0.724 116.400 115.700 -0.040 0.000 2.383 346 S HA 0.036 4.515 4.470 0.016 0.000 0.227 346 S C 0.643 175.224 174.600 -0.031 0.000 1.026 346 S CA 1.060 59.241 58.200 -0.032 0.000 0.981 346 S CB 0.025 63.205 63.200 -0.034 0.000 0.818 346 S HN 0.518 nan 8.310 nan 0.000 0.472 347 R N -0.727 119.749 120.500 -0.040 0.000 2.808 347 R HA 0.637 4.987 4.340 0.016 0.000 0.272 347 R C -1.436 174.837 176.300 -0.044 0.000 0.995 347 R CA -0.572 55.505 56.100 -0.038 0.000 0.917 347 R CB 1.700 31.974 30.300 -0.043 0.000 1.217 347 R HN 0.106 nan 8.270 nan 0.000 0.471 348 A N 1.243 124.041 122.820 -0.036 0.000 2.736 348 A HA 0.364 4.694 4.320 0.016 0.000 0.335 348 A C -0.537 177.023 177.584 -0.040 0.000 1.446 348 A CA -0.158 51.858 52.037 -0.034 0.000 1.028 348 A CB 0.366 19.355 19.000 -0.019 0.000 1.154 348 A HN 0.410 nan 8.150 nan 0.000 0.507 349 S N 1.773 117.439 115.700 -0.057 0.000 2.789 349 S HA 0.286 4.766 4.470 0.016 0.000 0.286 349 S C -0.128 174.431 174.600 -0.069 0.000 1.153 349 S CA -0.611 57.555 58.200 -0.058 0.000 1.084 349 S CB 0.698 63.861 63.200 -0.063 0.000 1.036 349 S HN 0.535 nan 8.310 nan 0.000 0.484 350 D N 3.384 123.768 120.400 -0.027 0.000 2.144 350 D HA -0.077 4.572 4.640 0.016 0.000 0.200 350 D C 1.671 177.956 176.300 -0.025 0.000 0.978 350 D CA 1.429 55.446 54.000 0.029 0.000 0.833 350 D CB -0.157 40.704 40.800 0.102 0.000 0.961 350 D HN 0.673 nan 8.370 nan 0.000 0.470 351 T N 0.727 115.251 114.554 -0.050 0.000 2.665 351 T HA -0.228 4.131 4.350 0.016 0.000 0.268 351 T C 1.585 176.232 174.700 -0.089 0.000 1.035 351 T CA 1.844 63.904 62.100 -0.068 0.000 1.151 351 T CB -0.318 68.514 68.868 -0.059 0.000 0.862 351 T HN 0.161 nan 8.240 nan 0.000 0.438 352 D N -0.345 119.995 120.400 -0.100 0.000 2.162 352 D HA -0.033 4.616 4.640 0.016 0.000 0.203 352 D C 2.180 178.380 176.300 -0.168 0.000 0.967 352 D CA 0.574 54.505 54.000 -0.116 0.000 0.840 352 D CB -0.392 40.346 40.800 -0.102 0.000 0.972 352 D HN 0.359 nan 8.370 nan 0.000 0.482 353 C N -0.038 119.116 119.300 -0.244 0.000 2.413 353 C HA -0.091 4.379 4.460 0.016 0.000 0.276 353 C C 2.613 177.413 174.990 -0.316 0.000 1.236 353 C CA 0.493 59.249 59.018 -0.438 0.000 1.735 353 C CB -1.161 26.014 27.740 -0.942 0.000 2.031 353 C HN 0.448 nan 8.230 nan 0.000 0.474 354 L N 0.806 121.929 121.223 -0.167 0.000 2.017 354 L HA -0.173 4.177 4.340 0.016 0.000 0.208 354 L C 2.639 179.444 176.870 -0.108 0.000 1.073 354 L CA 2.057 56.848 54.840 -0.082 0.000 0.745 354 L CB -0.954 41.043 42.059 -0.104 0.000 0.894 354 L HN 0.431 nan 8.230 nan 0.000 0.432 355 Q N -0.827 118.905 119.800 -0.113 0.000 2.135 355 Q HA -0.243 4.107 4.340 0.016 0.000 0.204 355 Q C 2.328 178.268 176.000 -0.100 0.000 0.981 355 Q CA 1.817 57.558 55.803 -0.103 0.000 0.856 355 Q CB -0.031 28.652 28.738 -0.092 0.000 0.902 355 Q HN 0.479 nan 8.270 nan 0.000 0.425 356 R N -0.470 119.963 120.500 -0.112 0.000 2.073 356 R HA -0.005 4.345 4.340 0.016 0.000 0.229 356 R C 2.216 178.465 176.300 -0.086 0.000 1.120 356 R CA 1.142 57.182 56.100 -0.100 0.000 0.967 356 R CB 0.019 30.249 30.300 -0.117 0.000 0.862 356 R HN 0.299 nan 8.270 nan 0.000 0.436 357 L N -0.273 120.897 121.223 -0.089 0.000 2.354 357 L HA 0.076 4.426 4.340 0.016 0.000 0.212 357 L C 0.962 177.813 176.870 -0.032 0.000 1.091 357 L CA 0.312 55.123 54.840 -0.047 0.000 0.828 357 L CB 0.158 42.206 42.059 -0.018 0.000 0.973 357 L HN 0.165 nan 8.230 nan 0.000 0.461 358 Q N 1.557 121.323 119.800 -0.057 0.000 2.337 358 Q HA 0.371 4.720 4.340 0.016 0.000 0.266 358 Q C -2.477 173.448 176.000 -0.125 0.000 1.023 358 Q CA -2.050 53.709 55.803 -0.073 0.000 0.829 358 Q CB 2.425 31.112 28.738 -0.085 0.000 1.306 358 Q HN -0.125 nan 8.270 nan 0.000 0.449 359 P HA 0.081 nan 4.420 nan 0.000 0.278 359 P C -0.550 176.743 177.300 -0.011 0.000 1.238 359 P CA -0.200 62.850 63.100 -0.085 0.000 0.794 359 P CB 1.049 32.651 31.700 -0.164 0.000 0.955 360 T N -1.656 112.917 114.554 0.031 0.000 2.828 360 T HA 0.357 4.717 4.350 0.016 0.000 0.290 360 T C 1.468 176.197 174.700 0.048 0.000 1.019 360 T CA -0.061 62.058 62.100 0.032 0.000 1.031 360 T CB 0.547 69.437 68.868 0.037 0.000 1.001 360 T HN 0.396 nan 8.240 nan 0.000 0.531 361 A N 1.300 124.141 122.820 0.035 0.000 1.969 361 A HA 0.229 4.559 4.320 0.016 0.000 0.218 361 A C 2.633 180.246 177.584 0.049 0.000 1.169 361 A CA 1.533 53.594 52.037 0.040 0.000 0.635 361 A CB -1.476 17.540 19.000 0.025 0.000 0.810 361 A HN 1.252 nan 8.150 nan 0.000 0.445 362 A N -0.078 122.767 122.820 0.041 0.000 1.978 362 A HA -0.031 4.299 4.320 0.016 0.000 0.220 362 A C 2.141 179.758 177.584 0.056 0.000 1.170 362 A CA 2.106 54.166 52.037 0.039 0.000 0.636 362 A CB -0.936 18.076 19.000 0.020 0.000 0.810 362 A HN 1.212 nan 8.150 nan 0.000 0.448 363 V N -4.957 114.998 119.914 0.068 0.000 3.650 363 V HA 0.579 4.708 4.120 0.016 0.000 0.271 363 V C 1.613 177.780 176.094 0.121 0.000 1.281 363 V CA 1.178 63.520 62.300 0.070 0.000 1.120 363 V CB -0.153 31.694 31.823 0.040 0.000 0.856 363 V HN 0.491 nan 8.190 nan 0.000 0.443 364 A N -0.063 122.841 122.820 0.140 0.000 1.995 364 A HA 0.804 5.134 4.320 0.016 0.000 0.200 364 A C 1.378 179.029 177.584 0.111 0.000 1.566 364 A CA 0.946 53.086 52.037 0.172 0.000 0.895 364 A CB 0.352 19.471 19.000 0.199 0.000 1.046 364 A HN 1.698 nan 8.150 nan 0.000 0.523 365 G N -1.746 107.100 108.800 0.076 0.000 2.315 365 G HA2 0.315 4.285 3.960 0.016 0.000 0.296 365 G HA3 0.315 4.285 3.960 0.016 0.000 0.296 365 G C -1.552 173.366 174.900 0.030 0.000 1.289 365 G CA -0.442 44.683 45.100 0.042 0.000 0.996 365 G HN 0.760 nan 8.290 nan 0.000 0.487 366 L N 0.679 121.909 121.223 0.011 0.000 2.431 366 L HA 0.544 4.894 4.340 0.016 0.000 0.266 366 L C -2.463 174.405 176.870 -0.003 0.000 0.978 366 L CA -2.014 52.830 54.840 0.007 0.000 0.822 366 L CB 2.938 45.000 42.059 0.005 0.000 1.310 366 L HN 0.362 nan 8.230 nan 0.000 0.409 367 P HA 0.186 nan 4.420 nan 0.000 0.274 367 P C 0.170 177.482 177.300 0.020 0.000 1.231 367 P CA -0.495 62.611 63.100 0.010 0.000 0.790 367 P CB 0.898 32.604 31.700 0.009 0.000 0.951 368 R N 1.945 122.455 120.500 0.017 0.000 2.122 368 R HA -0.231 4.119 4.340 0.016 0.000 0.236 368 R C 1.529 177.847 176.300 0.031 0.000 1.129 368 R CA 1.908 58.021 56.100 0.022 0.000 0.925 368 R CB -0.401 29.904 30.300 0.008 0.000 0.850 368 R HN 0.428 nan 8.270 nan 0.000 0.431 369 E N -0.081 120.133 120.200 0.023 0.000 2.208 369 E HA -0.090 4.270 4.350 0.016 0.000 0.193 369 E C 1.836 178.468 176.600 0.052 0.000 0.988 369 E CA 1.024 57.441 56.400 0.029 0.000 0.828 369 E CB -0.160 29.549 29.700 0.014 0.000 0.763 369 E HN 0.517 nan 8.360 nan 0.000 0.478 370 A N 1.523 124.375 122.820 0.053 0.000 1.933 370 A HA -0.078 4.252 4.320 0.016 0.000 0.218 370 A C 2.386 180.040 177.584 0.117 0.000 1.175 370 A CA 1.891 53.973 52.037 0.075 0.000 0.628 370 A CB -0.431 18.599 19.000 0.049 0.000 0.814 370 A HN 0.263 nan 8.150 nan 0.000 0.444 371 A N -0.462 122.416 122.820 0.096 0.000 1.841 371 A HA -0.106 4.223 4.320 0.016 0.000 0.214 371 A C 2.228 179.929 177.584 0.194 0.000 1.195 371 A CA 1.567 53.681 52.037 0.128 0.000 0.611 371 A CB -0.543 18.510 19.000 0.088 0.000 0.835 371 A HN 0.489 nan 8.150 nan 0.000 0.443 372 R N -0.489 120.098 120.500 0.145 0.000 2.103 372 R HA -0.225 4.125 4.340 0.016 0.000 0.242 372 R C 2.424 178.815 176.300 0.152 0.000 1.142 372 R CA 2.121 58.310 56.100 0.147 0.000 0.960 372 R CB -0.259 30.079 30.300 0.063 0.000 0.858 372 R HN 0.731 nan 8.270 nan 0.000 0.439 373 Q N -1.124 118.756 119.800 0.134 0.000 2.083 373 Q HA -0.155 4.194 4.340 0.016 0.000 0.198 373 Q C 1.842 177.936 176.000 0.158 0.000 0.969 373 Q CA 1.510 57.380 55.803 0.111 0.000 0.838 373 Q CB -0.173 28.617 28.738 0.088 0.000 0.900 373 Q HN 0.311 nan 8.270 nan 0.000 0.436 374 F N 1.275 121.295 119.950 0.116 0.000 2.095 374 F HA -0.249 4.288 4.527 0.016 0.000 0.298 374 F C 1.880 177.814 175.800 0.223 0.000 1.104 374 F CA 1.409 59.529 58.000 0.200 0.000 1.232 374 F CB -0.053 39.020 39.000 0.122 0.000 0.987 374 F HN -0.024 nan 8.300 nan 0.000 0.475 375 I N 0.090 120.898 120.570 0.396 0.000 2.179 375 I HA -0.341 3.839 4.170 0.016 0.000 0.242 375 I C 2.680 178.888 176.117 0.150 0.000 1.088 375 I CA 1.291 62.767 61.300 0.294 0.000 1.357 375 I CB -0.940 37.248 38.000 0.314 0.000 1.051 375 I HN 0.235 nan 8.210 nan 0.000 0.409 376 A N 0.105 123.001 122.820 0.127 0.000 1.978 376 A HA -0.248 4.081 4.320 0.016 0.000 0.220 376 A C 2.397 179.946 177.584 -0.057 0.000 1.170 376 A CA 1.716 53.784 52.037 0.052 0.000 0.636 376 A CB -0.421 18.602 19.000 0.040 0.000 0.810 376 A HN 0.333 nan 8.150 nan 0.000 0.448 377 K N -2.088 118.221 120.400 -0.151 0.000 2.166 377 K HA -0.026 4.304 4.320 0.016 0.000 0.201 377 K C 1.459 177.745 176.600 -0.523 0.000 1.052 377 K CA 1.251 57.313 56.287 -0.374 0.000 0.969 377 K CB 0.025 32.194 32.500 -0.552 0.000 0.761 377 K HN 0.701 nan 8.250 nan 0.000 0.459 378 H N -0.345 118.533 119.070 -0.319 0.000 2.695 378 H HA 0.193 4.759 4.556 0.016 0.000 0.267 378 H C -0.188 175.059 175.328 -0.135 0.000 0.973 378 H CA -0.281 55.578 56.048 -0.315 0.000 1.223 378 H CB 0.594 29.980 29.762 -0.628 0.000 1.442 378 H HN 0.041 nan 8.280 nan 0.000 0.478 379 E N 1.881 122.121 120.200 0.066 0.000 2.415 379 E HA -0.034 4.326 4.350 0.016 0.000 0.260 379 E C 0.396 177.011 176.600 0.025 0.000 1.016 379 E CA -0.023 56.455 56.400 0.129 0.000 0.924 379 E CB 0.985 30.793 29.700 0.180 0.000 0.961 379 E HN 0.434 nan 8.360 nan 0.000 0.459 380 L N 3.159 124.363 121.223 -0.031 0.000 2.313 380 L HA 0.018 4.368 4.340 0.016 0.000 0.214 380 L C 0.325 176.790 176.870 -0.675 0.000 1.119 380 L CA 0.719 55.303 54.840 -0.427 0.000 0.809 380 L CB -0.017 41.606 42.059 -0.727 0.000 0.933 380 L HN 0.379 nan 8.230 nan 0.000 0.449 381 F N -1.658 118.334 119.950 0.070 0.000 2.532 381 F HA 0.352 4.889 4.527 0.016 0.000 0.321 381 F C 0.639 176.482 175.800 0.071 0.000 1.089 381 F CA -0.888 57.150 58.000 0.064 0.000 0.926 381 F CB 1.481 40.526 39.000 0.075 0.000 1.168 381 F HN -0.382 nan 8.300 nan 0.000 0.459 382 S N 1.578 117.399 115.700 0.203 0.000 2.564 382 S HA 0.208 4.688 4.470 0.016 0.000 0.278 382 S C 1.256 175.956 174.600 0.166 0.000 1.333 382 S CA -0.478 57.804 58.200 0.137 0.000 1.048 382 S CB 0.623 63.859 63.200 0.061 0.000 0.900 382 S HN 0.726 nan 8.310 nan 0.000 0.505 383 R N 3.218 123.783 120.500 0.108 0.000 2.193 383 R HA 0.124 4.474 4.340 0.016 0.000 0.213 383 R C 1.901 178.187 176.300 -0.023 0.000 1.055 383 R CA 0.560 56.702 56.100 0.069 0.000 0.995 383 R CB -0.744 29.443 30.300 -0.189 0.000 0.893 383 R HN 0.951 nan 8.270 nan 0.000 0.459 384 G N 1.241 110.001 108.800 -0.067 0.000 2.634 384 G HA2 -0.362 3.607 3.960 0.016 0.000 0.318 384 G HA3 -0.362 3.607 3.960 0.016 0.000 0.318 384 G C 0.521 175.187 174.900 -0.391 0.000 1.207 384 G CA 0.641 45.541 45.100 -0.333 0.000 0.987 384 G HN 0.534 nan 8.290 nan 0.000 0.547 385 W N -0.180 120.944 121.300 -0.294 0.000 2.584 385 W HA 0.403 5.075 4.660 0.020 0.000 0.264 385 W C 1.273 177.545 176.519 -0.412 0.000 1.264 385 W CA 0.165 57.151 57.345 -0.597 0.000 1.306 385 W CB -0.149 28.328 29.460 -1.638 0.000 1.110 385 W HN 0.476 nan 8.180 nan 0.000 0.606 386 Y N 1.602 121.750 120.300 -0.254 0.000 2.511 386 Y HA 0.270 4.829 4.550 0.015 0.000 0.332 386 Y C 1.139 177.047 175.900 0.013 0.000 1.177 386 Y CA 0.057 58.097 58.100 -0.101 0.000 1.422 386 Y CB 0.753 38.769 38.460 -0.740 0.000 1.271 386 Y HN 0.158 nan 8.280 nan 0.000 0.550 387 A N 2.827 125.300 122.820 -0.579 0.000 3.413 387 A HA -0.255 4.075 4.320 0.016 0.000 0.268 387 A C 1.185 178.829 177.584 0.100 0.000 1.128 387 A CA 1.490 53.305 52.037 -0.370 0.000 1.062 387 A CB -2.371 16.269 19.000 -0.601 0.000 1.121 387 A HN 1.448 nan 8.150 nan 0.000 0.895 388 G N -0.973 107.909 108.800 0.136 0.000 2.928 388 G HA2 0.645 4.615 3.960 0.016 0.000 0.163 388 G HA3 0.645 4.615 3.960 0.016 0.000 0.163 388 G C 0.342 175.279 174.900 0.061 0.000 1.573 388 G CA 0.943 46.110 45.100 0.113 0.000 1.084 388 G HN 1.950 nan 8.290 nan 0.000 0.569 389 S N -2.455 113.263 115.700 0.031 0.000 2.618 389 S HA 0.784 5.263 4.470 0.016 0.000 0.277 389 S C -0.817 173.806 174.600 0.038 0.000 1.138 389 S CA -0.180 58.013 58.200 -0.011 0.000 0.844 389 S CB 1.876 65.024 63.200 -0.086 0.000 1.127 389 S HN 1.727 nan 8.310 nan 0.000 0.474 390 A N -0.193 122.663 122.820 0.060 0.000 2.455 390 A HA 1.026 5.356 4.320 0.016 0.000 0.300 390 A C 0.221 177.931 177.584 0.210 0.000 1.040 390 A CA -0.155 51.957 52.037 0.125 0.000 0.697 390 A CB 1.088 19.863 19.000 -0.375 0.000 1.265 390 A HN 2.232 nan 8.150 nan 0.000 0.407 391 G N 0.144 108.896 108.800 -0.080 0.000 2.564 391 G HA2 0.545 4.514 3.960 0.016 0.000 0.139 391 G HA3 0.545 4.514 3.960 0.016 0.000 0.139 391 G C -1.237 172.960 174.900 -1.171 0.000 1.147 391 G CA 0.419 44.892 45.100 -1.044 0.000 1.031 391 G HN 2.167 nan 8.290 nan 0.000 0.482 392 Y N -0.435 118.775 120.300 -1.816 0.000 2.588 392 Y HA 0.839 5.400 4.550 0.018 0.000 0.343 392 Y C -0.710 174.491 175.900 -1.165 0.000 1.065 392 Y CA -1.387 55.793 58.100 -1.534 0.000 1.038 392 Y CB 1.386 38.498 38.460 -2.246 0.000 1.297 392 Y HN 1.003 nan 8.280 nan 0.000 0.467 393 L N 1.343 122.214 121.223 -0.587 0.000 2.333 393 L HA 1.059 5.409 4.340 0.016 0.000 0.263 393 L C -0.513 176.254 176.870 -0.171 0.000 1.014 393 L CA -0.760 53.876 54.840 -0.339 0.000 0.820 393 L CB 2.358 44.345 42.059 -0.121 0.000 1.352 393 L HN 1.034 nan 8.230 nan 0.000 0.421 394 S N 0.726 116.363 115.700 -0.104 0.000 2.661 394 S HA 0.386 4.865 4.470 0.016 0.000 0.268 394 S C 0.099 174.673 174.600 -0.043 0.000 1.162 394 S CA -0.569 57.596 58.200 -0.058 0.000 0.817 394 S CB 1.243 64.424 63.200 -0.032 0.000 1.141 394 S HN 0.829 nan 8.310 nan 0.000 0.477 395 L N 1.309 122.510 121.223 -0.037 0.000 2.056 395 L HA 0.142 4.491 4.340 0.016 0.000 0.207 395 L C 2.222 179.083 176.870 -0.016 0.000 1.078 395 L CA 2.568 57.388 54.840 -0.033 0.000 0.749 395 L CB -0.610 41.425 42.059 -0.039 0.000 0.901 395 L HN 0.943 nan 8.230 nan 0.000 0.433 396 K N -1.601 118.796 120.400 -0.006 0.000 2.354 396 K HA 0.144 4.473 4.320 0.016 0.000 0.194 396 K C 0.638 177.252 176.600 0.024 0.000 1.045 396 K CA 0.020 56.313 56.287 0.009 0.000 1.026 396 K CB 0.320 32.825 32.500 0.009 0.000 0.866 396 K HN 0.075 nan 8.250 nan 0.000 0.530 397 R N 0.250 120.763 120.500 0.021 0.000 2.515 397 R HA 0.319 4.669 4.340 0.016 0.000 0.278 397 R C -1.597 174.664 176.300 -0.065 0.000 1.107 397 R CA -0.304 55.815 56.100 0.030 0.000 0.945 397 R CB 2.197 32.556 30.300 0.098 0.000 1.219 397 R HN 0.122 nan 8.270 nan 0.000 0.434 398 T N 2.684 117.110 114.554 -0.213 0.000 2.952 398 T HA 0.349 4.709 4.350 0.016 0.000 0.305 398 T C -1.651 172.593 174.700 -0.761 0.000 1.064 398 T CA -0.634 61.121 62.100 -0.575 0.000 1.008 398 T CB 1.811 70.538 68.868 -0.236 0.000 1.078 398 T HN 0.604 nan 8.240 nan 0.000 0.459 399 E N 1.885 121.262 120.200 -1.371 0.000 2.304 399 E HA 0.557 4.917 4.350 0.016 0.000 0.277 399 E C -1.784 174.014 176.600 -1.337 0.000 0.898 399 E CA -0.557 55.230 56.400 -1.022 0.000 0.764 399 E CB 1.306 30.730 29.700 -0.460 0.000 1.216 399 E HN 0.400 nan 8.360 nan 0.000 0.419 400 F N 1.456 120.978 119.950 -0.712 0.000 2.540 400 F HA 0.412 4.950 4.527 0.018 0.000 0.317 400 F C 0.232 175.779 175.800 -0.422 0.000 1.104 400 F CA -0.574 57.105 58.000 -0.534 0.000 0.913 400 F CB 2.315 40.993 39.000 -0.537 0.000 1.170 400 F HN 0.230 nan 8.300 nan 0.000 0.450 401 S N 1.736 117.304 115.700 -0.221 0.000 2.525 401 S HA 0.662 5.142 4.470 0.016 0.000 0.290 401 S C -0.801 173.720 174.600 -0.132 0.000 1.152 401 S CA -0.599 57.362 58.200 -0.399 0.000 1.072 401 S CB 0.983 63.748 63.200 -0.726 0.000 1.027 401 S HN 0.357 nan 8.310 nan 0.000 0.500 402 V N 4.088 123.974 119.914 -0.047 0.000 2.585 402 V HA 0.274 4.403 4.120 0.016 0.000 0.296 402 V C 0.995 177.135 176.094 0.076 0.000 1.035 402 V CA 0.067 62.380 62.300 0.021 0.000 1.084 402 V CB 0.629 32.480 31.823 0.047 0.000 0.953 402 V HN 1.007 nan 8.190 nan 0.000 0.483 403 A N 6.755 129.636 122.820 0.101 0.000 3.063 403 A HA 0.455 4.785 4.320 0.016 0.000 0.263 403 A C -0.161 177.689 177.584 0.444 0.000 1.736 403 A CA -0.165 52.056 52.037 0.307 0.000 1.408 403 A CB -0.827 18.426 19.000 0.420 0.000 1.108 403 A HN 0.577 nan 8.150 nan 0.000 0.621 404 L N -0.069 121.395 121.223 0.401 0.000 2.416 404 L HA 0.451 4.801 4.340 0.016 0.000 0.262 404 L C 1.087 178.243 176.870 0.478 0.000 1.093 404 L CA -0.081 55.000 54.840 0.401 0.000 0.801 404 L CB 0.196 42.417 42.059 0.270 0.000 1.191 404 L HN 0.708 nan 8.230 nan 0.000 0.459 405 R N -0.127 120.644 120.500 0.451 0.000 3.127 405 R HA -0.142 4.207 4.340 0.016 0.000 0.247 405 R C -0.597 175.837 176.300 0.223 0.000 0.896 405 R CA 0.734 57.003 56.100 0.282 0.000 0.624 405 R CB -1.919 28.494 30.300 0.188 0.000 1.154 405 R HN 0.751 nan 8.270 nan 0.000 0.474 406 S N -1.183 114.699 115.700 0.304 0.000 2.720 406 S HA 0.955 5.435 4.470 0.016 0.000 0.287 406 S C -0.949 173.831 174.600 0.301 0.000 1.168 406 S CA -0.470 57.832 58.200 0.171 0.000 0.832 406 S CB 2.871 66.224 63.200 0.255 0.000 1.166 406 S HN 0.746 nan 8.310 nan 0.000 0.493 407 A N 0.410 123.329 122.820 0.165 0.000 2.594 407 A HA 0.789 5.118 4.320 0.016 0.000 0.296 407 A C -1.081 176.738 177.584 0.392 0.000 1.061 407 A CA -0.767 51.460 52.037 0.317 0.000 0.689 407 A CB 1.433 20.524 19.000 0.152 0.000 1.280 407 A HN 0.930 nan 8.150 nan 0.000 0.406 408 R N 1.559 122.400 120.500 0.568 0.000 2.255 408 R HA 0.626 4.975 4.340 0.016 0.000 0.326 408 R C -1.352 175.134 176.300 0.310 0.000 0.986 408 R CA -0.286 56.177 56.100 0.605 0.000 0.847 408 R CB 1.148 31.890 30.300 0.738 0.000 1.111 408 R HN 0.529 nan 8.270 nan 0.000 0.452 409 V N 4.038 124.088 119.914 0.227 0.000 2.439 409 V HA 0.258 4.388 4.120 0.016 0.000 0.282 409 V C -0.419 175.742 176.094 0.111 0.000 1.039 409 V CA -0.353 61.988 62.300 0.068 0.000 0.913 409 V CB 1.535 33.360 31.823 0.003 0.000 0.983 409 V HN 0.765 nan 8.190 nan 0.000 0.460 410 D N 3.181 123.601 120.400 0.034 0.000 2.381 410 D HA 0.487 5.136 4.640 0.016 0.000 0.245 410 D C 0.587 176.885 176.300 -0.004 0.000 1.297 410 D CA 0.766 54.803 54.000 0.061 0.000 0.931 410 D CB 0.918 41.812 40.800 0.157 0.000 1.334 410 D HN 0.781 nan 8.370 nan 0.000 0.535 411 G N 3.457 112.248 108.800 -0.014 0.000 2.601 411 G HA2 -0.374 3.596 3.960 0.016 0.000 0.306 411 G HA3 -0.374 3.596 3.960 0.016 0.000 0.306 411 G C 0.705 175.568 174.900 -0.062 0.000 1.172 411 G CA 0.600 45.679 45.100 -0.035 0.000 0.966 411 G HN 0.506 nan 8.290 nan 0.000 0.542 412 Q N 1.046 120.805 119.800 -0.068 0.000 2.247 412 Q HA 0.234 4.583 4.340 0.016 0.000 0.204 412 Q C 0.681 176.608 176.000 -0.121 0.000 0.872 412 Q CA 0.132 55.884 55.803 -0.086 0.000 0.951 412 Q CB 0.588 29.287 28.738 -0.064 0.000 1.099 412 Q HN 0.634 nan 8.270 nan 0.000 0.501 413 Q N 0.849 120.560 119.800 -0.149 0.000 2.266 413 Q HA 0.570 4.920 4.340 0.016 0.000 0.261 413 Q C -1.042 174.743 176.000 -0.359 0.000 0.985 413 Q CA -0.546 55.102 55.803 -0.259 0.000 0.873 413 Q CB 2.769 31.336 28.738 -0.286 0.000 1.306 413 Q HN 0.159 nan 8.270 nan 0.000 0.447 414 I N 1.223 121.524 120.570 -0.450 0.000 2.533 414 I HA 0.284 4.464 4.170 0.016 0.000 0.290 414 I C -1.267 174.549 176.117 -0.500 0.000 1.056 414 I CA -0.722 60.324 61.300 -0.424 0.000 1.057 414 I CB 1.403 39.174 38.000 -0.382 0.000 1.240 414 I HN 0.622 nan 8.210 nan 0.000 0.423 415 H N 8.103 127.093 119.070 -0.133 0.000 2.581 415 H HA 0.411 4.976 4.556 0.016 0.000 0.308 415 H C -0.926 174.202 175.328 -0.334 0.000 1.040 415 H CA -0.511 55.387 56.048 -0.251 0.000 1.231 415 H CB 1.444 31.044 29.762 -0.269 0.000 1.396 415 H HN 0.436 nan 8.280 nan 0.000 0.467 416 L N 4.191 125.275 121.223 -0.233 0.000 2.289 416 L HA 0.285 4.634 4.340 0.016 0.000 0.285 416 L C -0.389 176.271 176.870 -0.350 0.000 1.049 416 L CA -0.733 54.000 54.840 -0.179 0.000 0.804 416 L CB 0.513 42.519 42.059 -0.088 0.000 1.195 416 L HN 0.447 nan 8.230 nan 0.000 0.428 417 Y N 1.891 122.099 120.300 -0.154 0.000 2.352 417 Y HA 0.726 5.285 4.550 0.015 0.000 0.326 417 Y C 0.432 176.107 175.900 -0.375 0.000 1.166 417 Y CA -0.461 57.357 58.100 -0.470 0.000 1.182 417 Y CB 1.791 39.582 38.460 -1.115 0.000 1.216 417 Y HN 0.649 nan 8.280 nan 0.000 0.474 418 A N 0.761 123.465 122.820 -0.194 0.000 2.602 418 A HA 0.898 5.228 4.320 0.016 0.000 0.290 418 A C -0.797 176.877 177.584 0.149 0.000 1.114 418 A CA -0.213 51.836 52.037 0.021 0.000 0.683 418 A CB 1.298 20.286 19.000 -0.020 0.000 1.281 418 A HN 0.933 nan 8.150 nan 0.000 0.416 419 G N -1.459 107.495 108.800 0.257 0.000 2.680 419 G HA2 0.862 4.832 3.960 0.016 0.000 0.290 419 G HA3 0.862 4.832 3.960 0.016 0.000 0.290 419 G C -0.915 174.145 174.900 0.265 0.000 1.355 419 G CA -0.003 45.279 45.100 0.303 0.000 0.903 419 G HN 2.037 nan 8.290 nan 0.000 0.474 420 A N -0.628 122.378 122.820 0.310 0.000 2.437 420 A HA 0.801 5.130 4.320 0.016 0.000 0.293 420 A C 0.051 177.749 177.584 0.191 0.000 1.038 420 A CA 0.014 52.221 52.037 0.283 0.000 0.708 420 A CB 1.510 20.786 19.000 0.460 0.000 1.251 420 A HN 1.722 nan 8.150 nan 0.000 0.409 421 G N 1.791 110.673 108.800 0.137 0.000 2.370 421 G HA2 0.516 4.486 3.960 0.016 0.000 0.272 421 G HA3 0.516 4.486 3.960 0.016 0.000 0.272 421 G C -0.305 174.620 174.900 0.042 0.000 1.208 421 G CA -0.207 44.940 45.100 0.078 0.000 0.856 421 G HN 0.522 nan 8.290 nan 0.000 0.500 422 I N 2.727 123.285 120.570 -0.020 0.000 2.378 422 I HA 0.387 4.567 4.170 0.016 0.000 0.291 422 I C 0.021 176.095 176.117 -0.071 0.000 0.992 422 I CA -0.680 60.582 61.300 -0.063 0.000 1.154 422 I CB 1.166 39.073 38.000 -0.154 0.000 1.315 422 I HN 0.077 nan 8.210 nan 0.000 0.448 423 V N 4.480 124.369 119.914 -0.042 0.000 3.126 423 V HA 0.539 4.669 4.120 0.016 0.000 0.314 423 V C 1.245 177.317 176.094 -0.037 0.000 1.138 423 V CA -0.337 61.942 62.300 -0.035 0.000 1.034 423 V CB 1.894 33.716 31.823 -0.002 0.000 1.075 423 V HN 0.869 nan 8.190 nan 0.000 0.442 424 A N 1.897 124.697 122.820 -0.033 0.000 1.954 424 A HA -0.189 4.140 4.320 0.016 0.000 0.222 424 A C 1.952 179.529 177.584 -0.013 0.000 1.199 424 A CA 2.626 54.647 52.037 -0.026 0.000 0.657 424 A CB -1.100 17.890 19.000 -0.016 0.000 0.823 424 A HN 1.348 nan 8.150 nan 0.000 0.463 425 G N -0.988 107.813 108.800 0.002 0.000 2.848 425 G HA2 0.277 4.247 3.960 0.016 0.000 0.208 425 G HA3 0.277 4.247 3.960 0.016 0.000 0.208 425 G C 0.455 175.367 174.900 0.020 0.000 1.152 425 G CA 0.573 45.681 45.100 0.014 0.000 0.789 425 G HN 0.441 nan 8.290 nan 0.000 0.531 426 S N 0.401 116.107 115.700 0.010 0.000 2.523 426 S HA 0.302 4.782 4.470 0.016 0.000 0.275 426 S C -0.586 174.033 174.600 0.031 0.000 1.281 426 S CA -0.429 57.786 58.200 0.025 0.000 1.050 426 S CB 1.699 64.902 63.200 0.005 0.000 0.937 426 S HN 0.395 nan 8.310 nan 0.000 0.492 427 D N 1.474 121.916 120.400 0.070 0.000 2.280 427 D HA 0.551 5.201 4.640 0.016 0.000 0.236 427 D C 0.927 177.325 176.300 0.163 0.000 1.082 427 D CA -0.514 53.542 54.000 0.094 0.000 0.834 427 D CB 1.101 41.961 40.800 0.099 0.000 1.100 427 D HN 0.388 nan 8.370 nan 0.000 0.486 428 A N 4.029 126.942 122.820 0.156 0.000 1.940 428 A HA -0.287 4.042 4.320 0.016 0.000 0.221 428 A C 1.797 179.738 177.584 0.594 0.000 1.190 428 A CA 1.807 54.013 52.037 0.283 0.000 0.647 428 A CB -0.598 18.493 19.000 0.151 0.000 0.821 428 A HN 0.803 nan 8.150 nan 0.000 0.457 429 E N -1.108 119.357 120.200 0.441 0.000 2.107 429 E HA -0.165 4.194 4.350 0.016 0.000 0.191 429 E C 2.323 179.107 176.600 0.306 0.000 0.982 429 E CA 0.994 57.602 56.400 0.346 0.000 0.809 429 E CB -0.130 29.649 29.700 0.132 0.000 0.756 429 E HN 0.578 nan 8.360 nan 0.000 0.459 430 Q N 0.661 120.612 119.800 0.252 0.000 2.046 430 Q HA -0.134 4.215 4.340 0.016 0.000 0.200 430 Q C 2.012 178.168 176.000 0.260 0.000 0.975 430 Q CA 0.987 56.912 55.803 0.203 0.000 0.836 430 Q CB -0.120 28.705 28.738 0.145 0.000 0.896 430 Q HN 0.269 nan 8.270 nan 0.000 0.428 431 E N -0.063 120.350 120.200 0.355 0.000 2.110 431 E HA -0.178 4.182 4.350 0.016 0.000 0.193 431 E C 1.624 178.502 176.600 0.463 0.000 0.988 431 E CA 0.513 57.175 56.400 0.437 0.000 0.804 431 E CB -0.346 29.682 29.700 0.547 0.000 0.745 431 E HN 0.495 nan 8.360 nan 0.000 0.458 432 W N 2.014 123.506 121.300 0.320 0.000 2.363 432 W HA -0.173 4.497 4.660 0.017 0.000 0.296 432 W C 1.891 178.351 176.519 -0.097 0.000 1.212 432 W CA 1.482 58.788 57.345 -0.064 0.000 1.260 432 W CB -0.109 29.345 29.460 -0.011 0.000 1.131 432 W HN 0.167 nan 8.180 nan 0.000 0.530 433 Q N 0.214 120.139 119.800 0.207 0.000 2.291 433 Q HA -0.215 4.135 4.340 0.016 0.000 0.205 433 Q C 2.236 178.235 176.000 -0.001 0.000 0.970 433 Q CA 1.625 57.480 55.803 0.086 0.000 0.876 433 Q CB -0.223 28.584 28.738 0.115 0.000 0.935 433 Q HN 0.291 nan 8.270 nan 0.000 0.455 434 E N 0.538 120.752 120.200 0.023 0.000 2.060 434 E HA -0.059 4.300 4.350 0.016 0.000 0.189 434 E C 1.088 177.656 176.600 -0.053 0.000 0.974 434 E CA 0.042 56.449 56.400 0.012 0.000 0.808 434 E CB -0.203 29.540 29.700 0.072 0.000 0.768 434 E HN 0.387 nan 8.360 nan 0.000 0.453 443 Q N 0.468 120.297 119.800 0.048 0.000 2.124 443 Q HA -0.162 4.187 4.340 0.016 0.000 0.202 443 Q C 1.820 177.814 176.000 -0.009 0.000 0.977 443 Q CA 2.398 58.217 55.803 0.027 0.000 0.850 443 Q CB 0.116 28.851 28.738 -0.006 0.000 0.901 443 Q HN 0.623 nan 8.270 nan 0.000 0.429 444 S N 0.874 116.560 115.700 -0.022 0.000 2.422 444 S HA -0.263 4.217 4.470 0.016 0.000 0.241 444 S C 1.773 176.340 174.600 -0.056 0.000 1.076 444 S CA 1.775 59.950 58.200 -0.041 0.000 1.066 444 S CB -0.837 62.336 63.200 -0.045 0.000 0.890 444 S HN 0.468 nan 8.310 nan 0.000 0.465 445 L N 0.116 121.309 121.223 -0.049 0.000 2.217 445 L HA 0.182 4.532 4.340 0.016 0.000 0.211 445 L C 0.920 177.789 176.870 -0.003 0.000 1.107 445 L CA 0.611 55.413 54.840 -0.063 0.000 0.783 445 L CB -0.416 41.534 42.059 -0.182 0.000 0.919 445 L HN 0.256 nan 8.230 nan 0.000 0.442 446 L N -0.293 120.936 121.223 0.009 0.000 2.334 446 L HA 0.302 4.651 4.340 0.016 0.000 0.275 446 L C -0.021 176.733 176.870 -0.193 0.000 1.036 446 L CA -0.387 54.422 54.840 -0.052 0.000 0.807 446 L CB 1.706 43.735 42.059 -0.050 0.000 1.231 446 L HN 0.015 nan 8.230 nan 0.000 0.438 447 E N 1.075 121.163 120.200 -0.186 0.000 2.227 447 E HA 0.339 4.698 4.350 0.016 0.000 0.268 447 E C -0.942 175.482 176.600 -0.294 0.000 0.990 447 E CA -0.856 55.399 56.400 -0.241 0.000 0.856 447 E CB 1.271 30.910 29.700 -0.102 0.000 1.159 447 E HN 0.428 nan 8.360 nan 0.000 0.401 448 H N 1.034 120.091 119.070 -0.023 0.000 2.547 448 H HA 0.124 4.691 4.556 0.017 0.000 0.362 448 H C -0.018 175.297 175.328 -0.022 0.000 1.181 448 H CA -0.017 56.015 56.048 -0.027 0.000 1.376 448 H CB 1.015 30.761 29.762 -0.028 0.000 1.488 448 H HN 0.577 nan 8.280 nan 0.000 0.583 449 E N 0.000 120.267 120.200 0.112 0.000 2.725 449 E HA 0.000 4.360 4.350 0.016 0.000 0.291 449 E CA 0.000 56.431 56.400 0.052 0.000 0.976 449 E CB 0.000 29.720 29.700 0.034 0.000 0.812 449 E HN 0.000 nan 8.360 nan 0.000 0.440