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 1r3w_1_A DATA FIRST_RESID 11 DATA SEQUENCE FPELKNDTFL RAAWGEETDY TPVWCMRQAG RYLPEFRETR AAQDFFSTCR DATA SEQUENCE SPEACCELTL QPLRRFPLDA AIIFSDILVV PQALGMEVTM VPGKGPSFPE DATA SEQUENCE PLREEQDLER LRDPEVVASE LGYVFQAITL TRQRLAGRVP LIGFAGAPWT DATA SEQUENCE LMTFMVEGGG SSTMAQAKRW LYQRPQASHQ LLRILTDALV PYLVGQVVAG DATA SEQUENCE AQALQLFESH AGHLGPQLFN KFALPYIRDV AKQVKARLRE AGLAPVPMII DATA SEQUENCE FAKDGHFALE ELAQAGYEVV GLDWTVAPKK ARECVGKTVT LQGNLDPCAL DATA SEQUENCE YASEEEIGQL VKQMLDDFGP HRYIANLGHG LYPDMDPEHV GAFVDAVHKH DATA SEQUENCE SRLLRQ 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 11 F HA 0.000 nan 4.527 nan 0.000 0.279 11 F C 0.000 175.807 175.800 0.012 0.000 0.967 11 F CA 0.000 58.006 58.000 0.011 0.000 1.383 11 F CB 0.000 39.007 39.000 0.012 0.000 1.145 12 P HA 0.106 nan 4.420 nan 0.000 0.267 12 P C -0.836 176.534 177.300 0.117 0.000 1.200 12 P CA -0.256 62.923 63.100 0.132 0.000 0.772 12 P CB 0.592 32.357 31.700 0.108 0.000 0.855 13 E N 1.438 121.686 120.200 0.080 0.000 2.384 13 E HA 0.084 4.434 4.350 -0.000 0.000 0.266 13 E C -0.542 176.092 176.600 0.057 0.000 1.012 13 E CA -0.651 55.788 56.400 0.066 0.000 0.901 13 E CB 0.310 30.040 29.700 0.049 0.000 0.967 13 E HN 0.257 nan 8.360 nan 0.000 0.435 14 L N 5.039 126.294 121.223 0.053 0.000 2.410 14 L HA 0.064 4.404 4.340 -0.000 0.000 0.273 14 L C 0.501 177.399 176.870 0.046 0.000 1.144 14 L CA 0.770 55.638 54.840 0.047 0.000 0.863 14 L CB 0.639 42.727 42.059 0.049 0.000 1.140 14 L HN 0.652 nan 8.230 nan 0.000 0.463 15 K N 2.600 123.027 120.400 0.045 0.000 2.121 15 K HA 0.091 4.411 4.320 -0.000 0.000 0.203 15 K C 0.230 176.863 176.600 0.055 0.000 1.041 15 K CA 0.459 56.773 56.287 0.045 0.000 0.969 15 K CB 0.093 32.616 32.500 0.039 0.000 0.799 15 K HN 0.550 nan 8.250 nan 0.000 0.456 16 N N 2.041 120.780 118.700 0.064 0.000 2.558 16 N HA -0.009 4.731 4.740 -0.000 0.000 0.242 16 N C -1.106 174.459 175.510 0.092 0.000 0.979 16 N CA -0.341 52.761 53.050 0.087 0.000 0.931 16 N CB 0.980 39.529 38.487 0.102 0.000 1.122 16 N HN 0.085 nan 8.380 nan 0.000 0.508 17 D N 1.579 122.031 120.400 0.086 0.000 2.424 17 D HA 0.072 4.712 4.640 -0.000 0.000 0.220 17 D C 0.502 176.852 176.300 0.084 0.000 1.150 17 D CA -0.111 53.946 54.000 0.095 0.000 0.831 17 D CB -0.123 40.727 40.800 0.083 0.000 0.981 17 D HN 0.323 nan 8.370 nan 0.000 0.500 18 T N 0.243 114.833 114.554 0.059 0.000 2.720 18 T HA -0.164 4.186 4.350 -0.000 0.000 0.268 18 T C 1.298 175.993 174.700 -0.009 0.000 1.037 18 T CA 1.183 63.255 62.100 -0.048 0.000 1.144 18 T CB -0.547 68.187 68.868 -0.223 0.000 0.864 18 T HN 0.299 nan 8.240 nan 0.000 0.444 19 F N 1.694 121.606 119.950 -0.063 0.000 2.126 19 F HA -0.055 4.472 4.527 -0.000 0.000 0.299 19 F C 1.866 177.629 175.800 -0.061 0.000 1.096 19 F CA 1.151 59.115 58.000 -0.061 0.000 1.255 19 F CB -0.459 38.505 39.000 -0.060 0.000 0.997 19 F HN 0.069 nan 8.300 nan 0.000 0.479 20 L N -0.191 120.998 121.223 -0.055 0.000 2.044 20 L HA -0.148 4.192 4.340 -0.000 0.000 0.205 20 L C 2.669 179.528 176.870 -0.017 0.000 1.075 20 L CA 1.332 56.102 54.840 -0.116 0.000 0.747 20 L CB -0.703 41.435 42.059 0.131 0.000 0.903 20 L HN 0.016 nan 8.230 nan 0.000 0.435 21 R N 0.147 120.675 120.500 0.047 0.000 2.083 21 R HA -0.175 4.165 4.340 -0.000 0.000 0.237 21 R C 2.450 178.759 176.300 0.014 0.000 1.137 21 R CA 1.534 57.682 56.100 0.080 0.000 0.951 21 R CB -0.582 29.739 30.300 0.035 0.000 0.851 21 R HN 0.367 nan 8.270 nan 0.000 0.434 22 A N 1.058 123.820 122.820 -0.097 0.000 1.902 22 A HA -0.124 4.196 4.320 -0.000 0.000 0.217 22 A C 2.360 179.835 177.584 -0.182 0.000 1.181 22 A CA 1.694 53.656 52.037 -0.126 0.000 0.623 22 A CB -0.700 18.200 19.000 -0.168 0.000 0.818 22 A HN 0.420 nan 8.150 nan 0.000 0.443 23 A N -1.481 121.114 122.820 -0.376 0.000 1.933 23 A HA -0.157 4.163 4.320 -0.000 0.000 0.218 23 A C 1.886 179.252 177.584 -0.364 0.000 1.175 23 A CA 1.242 52.984 52.037 -0.493 0.000 0.628 23 A CB -0.860 17.640 19.000 -0.833 0.000 0.814 23 A HN 0.772 nan 8.150 nan 0.000 0.444 24 W N -1.305 119.918 121.300 -0.128 0.000 3.047 24 W HA 0.349 5.009 4.660 -0.000 0.000 0.250 24 W C 1.580 178.072 176.519 -0.046 0.000 1.314 24 W CA 0.609 57.911 57.345 -0.072 0.000 1.540 24 W CB 0.205 29.626 29.460 -0.064 0.000 1.127 24 W HN 0.574 nan 8.180 nan 0.000 0.679 25 G N 0.575 109.448 108.800 0.122 0.000 2.131 25 G HA2 -0.266 3.694 3.960 -0.000 0.000 0.223 25 G HA3 -0.266 3.694 3.960 -0.000 0.000 0.223 25 G C -0.059 174.894 174.900 0.087 0.000 0.990 25 G CA -0.444 44.711 45.100 0.091 0.000 0.671 25 G HN 0.315 nan 8.290 nan 0.000 0.521 26 E N 0.646 120.899 120.200 0.088 0.000 2.349 26 E HA 0.413 4.762 4.350 -0.000 0.000 0.265 26 E C 0.186 176.823 176.600 0.061 0.000 1.064 26 E CA -0.653 55.787 56.400 0.066 0.000 0.886 26 E CB 0.754 30.490 29.700 0.060 0.000 1.036 26 E HN 0.288 nan 8.360 nan 0.000 0.413 27 E N 1.539 121.778 120.200 0.066 0.000 2.392 27 E HA 0.074 4.424 4.350 -0.000 0.000 0.264 27 E C -0.129 176.492 176.600 0.035 0.000 1.024 27 E CA 0.200 56.650 56.400 0.083 0.000 0.903 27 E CB 1.049 30.808 29.700 0.097 0.000 0.963 27 E HN 0.549 nan 8.360 nan 0.000 0.432 28 T N -1.422 113.139 114.554 0.011 0.000 2.901 28 T HA 0.286 4.636 4.350 -0.000 0.000 0.293 28 T C 0.312 175.000 174.700 -0.021 0.000 1.084 28 T CA -0.878 61.194 62.100 -0.046 0.000 1.008 28 T CB 1.288 70.059 68.868 -0.161 0.000 1.170 28 T HN 0.036 nan 8.240 nan 0.000 0.509 29 D N -0.258 120.140 120.400 -0.004 0.000 2.277 29 D HA 0.156 4.795 4.640 -0.000 0.000 0.208 29 D C 0.347 176.759 176.300 0.187 0.000 0.962 29 D CA 1.403 55.462 54.000 0.099 0.000 0.865 29 D CB -0.116 40.781 40.800 0.160 0.000 0.939 29 D HN 0.732 nan 8.370 nan 0.000 0.510 30 Y N -3.225 117.089 120.300 0.024 0.000 2.705 30 Y HA 0.516 5.066 4.550 -0.000 0.000 0.332 30 Y C -0.704 175.228 175.900 0.053 0.000 1.221 30 Y CA -1.330 56.791 58.100 0.035 0.000 1.059 30 Y CB 0.717 39.185 38.460 0.014 0.000 1.298 30 Y HN -0.453 nan 8.280 nan 0.000 0.459 31 T N 4.852 119.505 114.554 0.164 0.000 2.743 31 T HA 0.390 4.740 4.350 -0.000 0.000 0.293 31 T C -2.668 172.085 174.700 0.088 0.000 0.945 31 T CA -1.282 60.830 62.100 0.020 0.000 1.030 31 T CB 0.848 69.750 68.868 0.057 0.000 0.912 31 T HN 0.405 nan 8.240 nan 0.000 0.483 32 P HA 0.422 nan 4.420 nan 0.000 0.277 32 P C -0.965 176.402 177.300 0.112 0.000 1.240 32 P CA -0.477 62.706 63.100 0.139 0.000 0.798 32 P CB 1.203 32.968 31.700 0.108 0.000 0.979 33 V N 4.225 124.249 119.914 0.184 0.000 2.888 33 V HA 0.791 4.911 4.120 -0.000 0.000 0.309 33 V C -1.548 174.681 176.094 0.225 0.000 1.114 33 V CA -0.532 61.802 62.300 0.057 0.000 0.940 33 V CB 1.758 33.438 31.823 -0.238 0.000 1.021 33 V HN 0.797 nan 8.190 nan 0.000 0.426 34 W N 4.223 125.508 121.300 -0.026 0.000 3.038 34 W HA 0.784 5.444 4.660 -0.000 0.000 0.347 34 W C -2.001 174.524 176.519 0.009 0.000 1.219 34 W CA -1.385 55.944 57.345 -0.027 0.000 1.142 34 W CB 1.053 30.445 29.460 -0.113 0.000 1.484 34 W HN 0.642 nan 8.180 nan 0.000 0.586 35 C N 2.247 121.520 119.300 -0.044 0.000 2.396 35 C HA 0.501 4.961 4.460 -0.000 0.000 0.321 35 C C 0.666 175.454 174.990 -0.336 0.000 1.233 35 C CA -0.561 58.261 59.018 -0.327 0.000 1.440 35 C CB 0.704 28.317 27.740 -0.213 0.000 2.110 35 C HN 0.603 nan 8.230 nan 0.000 0.473 36 M N 2.773 122.011 119.600 -0.604 0.000 2.250 36 M HA 0.108 4.588 4.480 -0.000 0.000 0.337 36 M C 1.067 177.275 176.300 -0.153 0.000 1.161 36 M CA 1.050 56.168 55.300 -0.303 0.000 1.088 36 M CB 0.192 32.609 32.600 -0.305 0.000 1.639 36 M HN 0.778 nan 8.290 nan 0.000 0.447 37 R N 0.133 120.615 120.500 -0.030 0.000 3.953 37 R HA -0.272 4.068 4.340 -0.000 0.000 0.340 37 R C 1.274 177.638 176.300 0.106 0.000 1.195 37 R CA 1.185 57.285 56.100 -0.001 0.000 0.929 37 R CB -2.051 28.201 30.300 -0.079 0.000 1.402 37 R HN 0.902 nan 8.270 nan 0.000 0.540 38 Q N -0.035 119.862 119.800 0.163 0.000 2.197 38 Q HA -0.081 4.259 4.340 -0.000 0.000 0.207 38 Q C 0.759 176.998 176.000 0.398 0.000 0.984 38 Q CA 1.718 57.699 55.803 0.297 0.000 0.869 38 Q CB 0.051 28.968 28.738 0.298 0.000 0.906 38 Q HN 0.438 nan 8.270 nan 0.000 0.426 39 A N 1.021 124.026 122.820 0.308 0.000 2.391 39 A HA 0.625 4.945 4.320 -0.000 0.000 0.316 39 A C 0.071 177.707 177.584 0.088 0.000 1.381 39 A CA 0.209 52.430 52.037 0.306 0.000 0.998 39 A CB 0.293 19.565 19.000 0.453 0.000 1.147 39 A HN 0.451 nan 8.150 nan 0.000 0.545 40 G N 0.863 109.439 108.800 -0.373 0.000 2.608 40 G HA2 0.425 4.385 3.960 -0.000 0.000 0.291 40 G HA3 0.425 4.385 3.960 -0.000 0.000 0.291 40 G C 0.153 174.374 174.900 -1.131 0.000 1.425 40 G CA -0.825 43.745 45.100 -0.883 0.000 0.787 40 G HN 0.494 nan 8.290 nan 0.000 0.484 41 R N -0.880 119.170 120.500 -0.750 0.000 2.237 41 R HA -0.049 4.291 4.340 -0.000 0.000 0.219 41 R C 2.045 178.290 176.300 -0.092 0.000 1.080 41 R CA 1.641 57.576 56.100 -0.275 0.000 0.995 41 R CB -0.367 29.905 30.300 -0.046 0.000 0.875 41 R HN 0.692 nan 8.270 nan 0.000 0.462 42 Y N -0.530 119.703 120.300 -0.112 0.000 2.497 42 Y HA 0.031 4.581 4.550 -0.000 0.000 0.292 42 Y C 0.370 176.280 175.900 0.016 0.000 1.137 42 Y CA 0.071 58.155 58.100 -0.028 0.000 1.285 42 Y CB -0.154 38.287 38.460 -0.032 0.000 0.991 42 Y HN -0.139 nan 8.280 nan 0.000 0.556 43 L N 2.876 123.649 121.223 -0.750 0.000 2.265 43 L HA 0.225 4.565 4.340 -0.000 0.000 0.288 43 L C -1.538 175.250 176.870 -0.135 0.000 1.058 43 L CA -2.054 52.505 54.840 -0.468 0.000 0.809 43 L CB 1.223 42.995 42.059 -0.478 0.000 1.179 43 L HN -0.070 nan 8.230 nan 0.000 0.429 44 P HA -0.217 nan 4.420 nan 0.000 0.216 44 P C 1.274 178.567 177.300 -0.011 0.000 1.153 44 P CA 1.084 64.170 63.100 -0.023 0.000 0.858 44 P CB 0.141 31.826 31.700 -0.025 0.000 0.789 45 E N -0.667 119.514 120.200 -0.032 0.000 2.204 45 E HA -0.206 4.144 4.350 -0.000 0.000 0.194 45 E C 2.001 178.588 176.600 -0.022 0.000 0.989 45 E CA 0.996 57.374 56.400 -0.038 0.000 0.824 45 E CB -1.439 28.227 29.700 -0.056 0.000 0.756 45 E HN 0.280 nan 8.360 nan 0.000 0.477 46 F N 2.266 122.127 119.950 -0.148 0.000 2.102 46 F HA -0.082 4.445 4.527 -0.000 0.000 0.298 46 F C 2.574 178.305 175.800 -0.116 0.000 1.105 46 F CA 1.605 59.516 58.000 -0.148 0.000 1.239 46 F CB 0.023 38.934 39.000 -0.149 0.000 0.991 46 F HN -0.162 nan 8.300 nan 0.000 0.474 47 R N 0.096 120.710 120.500 0.190 0.000 2.081 47 R HA -0.208 4.132 4.340 -0.000 0.000 0.235 47 R C 2.247 178.518 176.300 -0.048 0.000 1.131 47 R CA 1.789 57.950 56.100 0.102 0.000 0.960 47 R CB -0.567 29.797 30.300 0.107 0.000 0.856 47 R HN 0.443 nan 8.270 nan 0.000 0.436 48 E N 0.261 120.427 120.200 -0.057 0.000 2.051 48 E HA -0.184 4.166 4.350 -0.000 0.000 0.192 48 E C 1.823 178.343 176.600 -0.133 0.000 0.991 48 E CA 2.120 58.472 56.400 -0.079 0.000 0.799 48 E CB 0.024 29.686 29.700 -0.064 0.000 0.748 48 E HN 0.405 nan 8.360 nan 0.000 0.449 49 T N -1.097 113.340 114.554 -0.195 0.000 2.788 49 T HA -0.081 4.269 4.350 -0.000 0.000 0.268 49 T C 1.938 176.460 174.700 -0.297 0.000 1.044 49 T CA 0.678 62.632 62.100 -0.244 0.000 1.139 49 T CB -0.233 68.454 68.868 -0.301 0.000 0.867 49 T HN 0.036 nan 8.240 nan 0.000 0.454 50 R N 1.368 121.635 120.500 -0.389 0.000 2.115 50 R HA 0.240 4.580 4.340 -0.000 0.000 0.230 50 R C 2.862 179.060 176.300 -0.170 0.000 1.111 50 R CA 1.150 57.041 56.100 -0.348 0.000 0.976 50 R CB -1.080 28.969 30.300 -0.418 0.000 0.870 50 R HN 0.593 nan 8.270 nan 0.000 0.445 51 A N 1.295 124.041 122.820 -0.124 0.000 2.019 51 A HA -0.097 4.223 4.320 -0.000 0.000 0.219 51 A C 2.363 179.905 177.584 -0.070 0.000 1.164 51 A CA 1.573 53.568 52.037 -0.070 0.000 0.644 51 A CB -0.413 18.556 19.000 -0.051 0.000 0.805 51 A HN 0.333 nan 8.150 nan 0.000 0.449 52 A N -0.764 122.000 122.820 -0.092 0.000 1.869 52 A HA -0.093 4.227 4.320 -0.000 0.000 0.218 52 A C 1.416 178.957 177.584 -0.071 0.000 1.203 52 A CA 1.832 53.820 52.037 -0.082 0.000 0.638 52 A CB -0.369 18.572 19.000 -0.098 0.000 0.831 52 A HN 0.653 nan 8.150 nan 0.000 0.450 53 Q N -0.888 118.861 119.800 -0.086 0.000 2.385 53 Q HA 0.489 4.828 4.340 -0.000 0.000 0.262 53 Q C -0.718 175.255 176.000 -0.045 0.000 1.050 53 Q CA -0.291 55.471 55.803 -0.068 0.000 0.903 53 Q CB 0.751 29.436 28.738 -0.089 0.000 1.325 53 Q HN 0.629 nan 8.270 nan 0.000 0.485 54 D N -1.072 119.316 120.400 -0.020 0.000 2.358 54 D HA 0.030 4.670 4.640 -0.000 0.000 0.244 54 D C 0.075 176.389 176.300 0.024 0.000 1.163 54 D CA -0.547 53.468 54.000 0.025 0.000 0.945 54 D CB 0.475 41.305 40.800 0.050 0.000 1.152 54 D HN 0.434 nan 8.370 nan 0.000 0.451 55 F N 0.278 120.169 119.950 -0.098 0.000 2.046 55 F HA -0.133 4.394 4.527 -0.000 0.000 0.297 55 F C 1.631 177.296 175.800 -0.225 0.000 1.123 55 F CA 1.391 59.275 58.000 -0.194 0.000 1.199 55 F CB -0.294 38.491 39.000 -0.358 0.000 0.972 55 F HN 0.398 nan 8.300 nan 0.000 0.474 56 F N -0.654 119.321 119.950 0.042 0.000 2.407 56 F HA -0.113 4.414 4.527 -0.000 0.000 0.299 56 F C 2.818 178.499 175.800 -0.198 0.000 1.097 56 F CA 1.097 59.037 58.000 -0.100 0.000 1.422 56 F CB -0.759 38.245 39.000 0.007 0.000 1.067 56 F HN 0.074 nan 8.300 nan 0.000 0.539 57 S N -0.558 115.127 115.700 -0.025 0.000 2.387 57 S HA -0.151 4.319 4.470 -0.000 0.000 0.226 57 S C 2.104 176.619 174.600 -0.141 0.000 1.026 57 S CA 1.847 59.992 58.200 -0.092 0.000 0.972 57 S CB -0.479 62.686 63.200 -0.059 0.000 0.814 57 S HN 0.310 nan 8.310 nan 0.000 0.477 58 T N 1.163 115.611 114.554 -0.178 0.000 2.746 58 T HA -0.117 4.233 4.350 -0.000 0.000 0.267 58 T C 1.923 176.549 174.700 -0.124 0.000 1.039 58 T CA 1.577 63.562 62.100 -0.192 0.000 1.142 58 T CB -0.802 67.900 68.868 -0.276 0.000 0.866 58 T HN 0.536 nan 8.240 nan 0.000 0.444 59 C N 1.195 120.395 119.300 -0.167 0.000 2.419 59 C HA 0.020 4.480 4.460 -0.000 0.000 0.281 59 C C 2.520 177.518 174.990 0.012 0.000 1.336 59 C CA 0.447 59.450 59.018 -0.026 0.000 1.770 59 C CB -1.081 26.622 27.740 -0.061 0.000 1.929 59 C HN 0.494 nan 8.230 nan 0.000 0.509 60 R N 0.237 120.604 120.500 -0.221 0.000 2.317 60 R HA 0.052 4.392 4.340 -0.000 0.000 0.208 60 R C 0.697 176.927 176.300 -0.117 0.000 0.914 60 R CA 0.090 55.954 56.100 -0.394 0.000 1.060 60 R CB 0.069 30.012 30.300 -0.594 0.000 1.015 60 R HN 0.322 nan 8.270 nan 0.000 0.498 61 S N 1.045 116.715 115.700 -0.049 0.000 2.461 61 S HA 0.268 4.738 4.470 -0.000 0.000 0.322 61 S C -1.970 172.647 174.600 0.029 0.000 1.063 61 S CA -2.060 56.128 58.200 -0.020 0.000 1.120 61 S CB 1.235 64.403 63.200 -0.054 0.000 0.968 61 S HN -0.132 nan 8.310 nan 0.000 0.467 62 P HA -0.131 nan 4.420 nan 0.000 0.216 62 P C 1.323 178.651 177.300 0.046 0.000 1.153 62 P CA 1.087 64.232 63.100 0.075 0.000 0.858 62 P CB 0.200 31.948 31.700 0.080 0.000 0.789 63 E N -0.638 119.573 120.200 0.018 0.000 2.072 63 E HA -0.132 4.218 4.350 -0.000 0.000 0.191 63 E C 2.078 178.661 176.600 -0.028 0.000 0.985 63 E CA 1.410 57.809 56.400 -0.001 0.000 0.801 63 E CB -0.790 28.903 29.700 -0.012 0.000 0.750 63 E HN 0.160 nan 8.360 nan 0.000 0.452 64 A N 0.991 123.780 122.820 -0.052 0.000 1.902 64 A HA -0.187 4.133 4.320 -0.000 0.000 0.217 64 A C 2.635 180.151 177.584 -0.114 0.000 1.181 64 A CA 1.444 53.413 52.037 -0.113 0.000 0.623 64 A CB -0.920 17.991 19.000 -0.148 0.000 0.818 64 A HN 0.333 nan 8.150 nan 0.000 0.443 65 C N -1.703 117.593 119.300 -0.007 0.000 2.432 65 C HA -0.146 4.314 4.460 -0.000 0.000 0.277 65 C C 2.971 178.016 174.990 0.092 0.000 1.249 65 C CA 0.695 59.779 59.018 0.111 0.000 1.725 65 C CB -1.704 26.166 27.740 0.216 0.000 2.028 65 C HN 0.786 nan 8.230 nan 0.000 0.477 66 C N 1.225 120.562 119.300 0.060 0.000 2.413 66 C HA -0.152 4.308 4.460 -0.000 0.000 0.276 66 C C 2.790 177.792 174.990 0.020 0.000 1.236 66 C CA 2.145 61.193 59.018 0.050 0.000 1.735 66 C CB -1.369 26.395 27.740 0.040 0.000 2.031 66 C HN 0.690 nan 8.230 nan 0.000 0.474 67 E N 0.589 120.776 120.200 -0.023 0.000 2.051 67 E HA -0.158 4.192 4.350 -0.000 0.000 0.192 67 E C 2.006 178.573 176.600 -0.056 0.000 0.991 67 E CA 1.768 58.139 56.400 -0.049 0.000 0.799 67 E CB -0.626 29.023 29.700 -0.084 0.000 0.748 67 E HN 0.720 nan 8.360 nan 0.000 0.449 68 L N 0.002 121.161 121.223 -0.108 0.000 2.083 68 L HA -0.150 4.190 4.340 -0.000 0.000 0.209 68 L C 2.480 179.397 176.870 0.079 0.000 1.083 68 L CA 1.634 56.413 54.840 -0.102 0.000 0.752 68 L CB -0.670 41.133 42.059 -0.426 0.000 0.899 68 L HN 0.207 nan 8.230 nan 0.000 0.433 69 T N 0.226 114.849 114.554 0.115 0.000 2.746 69 T HA -0.132 4.218 4.350 -0.000 0.000 0.267 69 T C 1.928 176.690 174.700 0.103 0.000 1.039 69 T CA 1.194 63.386 62.100 0.154 0.000 1.142 69 T CB -0.150 68.804 68.868 0.143 0.000 0.866 69 T HN 0.214 nan 8.240 nan 0.000 0.444 70 L N 0.543 121.802 121.223 0.060 0.000 2.240 70 L HA -0.020 4.320 4.340 -0.000 0.000 0.211 70 L C 2.803 179.690 176.870 0.028 0.000 1.106 70 L CA 0.825 55.688 54.840 0.038 0.000 0.793 70 L CB -0.570 41.499 42.059 0.017 0.000 0.927 70 L HN 0.301 nan 8.230 nan 0.000 0.446 71 Q N 0.400 120.214 119.800 0.024 0.000 2.062 71 Q HA -0.215 4.125 4.340 -0.000 0.000 0.209 71 Q C -0.510 175.481 176.000 -0.015 0.000 0.996 71 Q CA 2.067 57.866 55.803 -0.006 0.000 0.859 71 Q CB -1.146 27.591 28.738 -0.002 0.000 0.920 71 Q HN 0.437 nan 8.270 nan 0.000 0.415 72 P HA -0.152 nan 4.420 nan 0.000 0.218 72 P C 1.070 178.409 177.300 0.064 0.000 1.149 72 P CA 1.091 64.266 63.100 0.124 0.000 0.817 72 P CB 0.019 31.915 31.700 0.327 0.000 0.785 73 L N -0.468 120.800 121.223 0.075 0.000 2.275 73 L HA -0.024 4.316 4.340 -0.000 0.000 0.215 73 L C 2.664 179.531 176.870 -0.006 0.000 1.119 73 L CA 1.470 56.349 54.840 0.066 0.000 0.790 73 L CB -0.956 41.140 42.059 0.062 0.000 0.919 73 L HN -0.121 nan 8.230 nan 0.000 0.443 74 R N -1.308 119.156 120.500 -0.060 0.000 2.153 74 R HA 0.003 4.343 4.340 -0.000 0.000 0.218 74 R C 2.131 178.327 176.300 -0.172 0.000 1.072 74 R CA 0.627 56.673 56.100 -0.089 0.000 0.990 74 R CB -0.124 30.127 30.300 -0.081 0.000 0.889 74 R HN 0.318 nan 8.270 nan 0.000 0.452 75 R N -0.432 119.855 120.500 -0.355 0.000 2.128 75 R HA 0.138 4.478 4.340 -0.000 0.000 0.211 75 R C -0.065 175.889 176.300 -0.577 0.000 1.067 75 R CA 0.714 56.412 56.100 -0.669 0.000 1.010 75 R CB 0.422 29.885 30.300 -1.395 0.000 0.922 75 R HN 0.029 nan 8.270 nan 0.000 0.457 76 F N 0.368 120.363 119.950 0.075 0.000 2.578 76 F HA 0.346 4.873 4.527 -0.000 0.000 0.311 76 F C -2.081 173.771 175.800 0.086 0.000 1.094 76 F CA -2.810 55.238 58.000 0.081 0.000 0.923 76 F CB 1.950 41.008 39.000 0.097 0.000 1.230 76 F HN -0.230 nan 8.300 nan 0.000 0.450 77 P HA 0.147 nan 4.420 nan 0.000 0.218 77 P C -0.499 176.974 177.300 0.289 0.000 1.793 77 P CA 0.219 63.454 63.100 0.226 0.000 0.941 77 P CB -0.157 31.653 31.700 0.184 0.000 1.919 78 L N 0.991 122.367 121.223 0.256 0.000 2.461 78 L HA 0.115 4.455 4.340 -0.000 0.000 0.272 78 L C 1.545 178.535 176.870 0.200 0.000 1.197 78 L CA 0.293 55.272 54.840 0.230 0.000 0.836 78 L CB 0.344 42.544 42.059 0.235 0.000 1.105 78 L HN 0.043 nan 8.230 nan 0.000 0.477 79 D N 1.848 122.377 120.400 0.215 0.000 2.339 79 D HA 0.247 4.887 4.640 -0.000 0.000 0.217 79 D C 0.129 176.416 176.300 -0.022 0.000 1.050 79 D CA 0.357 54.465 54.000 0.181 0.000 0.856 79 D CB 0.726 41.708 40.800 0.305 0.000 0.922 79 D HN 0.543 nan 8.370 nan 0.000 0.518 80 A N 0.188 122.918 122.820 -0.149 0.000 2.604 80 A HA 0.678 4.998 4.320 -0.000 0.000 0.295 80 A C -1.308 176.101 177.584 -0.291 0.000 1.067 80 A CA -0.599 51.159 52.037 -0.464 0.000 0.683 80 A CB 1.586 19.805 19.000 -1.301 0.000 1.281 80 A HN 0.031 nan 8.150 nan 0.000 0.407 81 A N 0.771 123.424 122.820 -0.278 0.000 2.306 81 A HA 0.807 5.127 4.320 -0.000 0.000 0.330 81 A C -0.497 176.935 177.584 -0.254 0.000 1.146 81 A CA -0.423 51.521 52.037 -0.154 0.000 0.827 81 A CB 0.652 19.611 19.000 -0.068 0.000 1.178 81 A HN 1.588 nan 8.150 nan 0.000 0.490 82 I N 1.972 122.473 120.570 -0.115 0.000 2.465 82 I HA 0.470 4.639 4.170 -0.000 0.000 0.291 82 I C -0.693 175.496 176.117 0.119 0.000 1.014 82 I CA -1.143 60.115 61.300 -0.069 0.000 1.093 82 I CB 1.194 39.133 38.000 -0.102 0.000 1.267 82 I HN 0.696 nan 8.210 nan 0.000 0.431 83 I N 7.468 128.145 120.570 0.178 0.000 2.710 83 I HA 0.024 4.194 4.170 -0.000 0.000 0.286 83 I C -0.694 175.636 176.117 0.354 0.000 1.181 83 I CA 0.495 61.935 61.300 0.234 0.000 1.430 83 I CB 0.328 38.434 38.000 0.178 0.000 1.367 83 I HN 0.464 nan 8.210 nan 0.000 0.577 84 F N 7.848 127.925 119.950 0.213 0.000 2.471 84 F HA 0.456 4.983 4.527 -0.000 0.000 0.365 84 F C 0.452 176.392 175.800 0.235 0.000 1.095 84 F CA 0.853 58.991 58.000 0.229 0.000 1.174 84 F CB 0.244 39.339 39.000 0.158 0.000 1.105 84 F HN 0.599 nan 8.300 nan 0.000 0.535 85 S N 3.655 119.135 115.700 -0.367 0.000 2.761 85 S HA 0.382 4.852 4.470 -0.000 0.000 0.290 85 S C -2.165 172.388 174.600 -0.077 0.000 1.222 85 S CA -0.696 57.386 58.200 -0.197 0.000 0.954 85 S CB 0.975 64.154 63.200 -0.034 0.000 1.281 85 S HN 0.712 nan 8.310 nan 0.000 0.527 86 D N -0.346 120.136 120.400 0.137 0.000 2.661 86 D HA 0.458 5.098 4.640 -0.000 0.000 0.228 86 D C 1.195 177.650 176.300 0.260 0.000 1.210 86 D CA -0.225 53.937 54.000 0.269 0.000 0.826 86 D CB 1.133 42.140 40.800 0.346 0.000 1.542 86 D HN 0.529 nan 8.370 nan 0.000 0.447 87 I N 0.311 121.039 120.570 0.264 0.000 2.567 87 I HA -0.040 4.130 4.170 -0.000 0.000 0.257 87 I C 0.962 177.129 176.117 0.083 0.000 1.184 87 I CA 0.952 62.364 61.300 0.187 0.000 1.451 87 I CB -0.241 37.853 38.000 0.156 0.000 1.089 87 I HN 0.350 nan 8.210 nan 0.000 0.441 88 L N 1.512 122.784 121.223 0.082 0.000 2.599 88 L HA 0.009 4.349 4.340 -0.000 0.000 0.230 88 L C 2.518 179.418 176.870 0.051 0.000 1.141 88 L CA 0.250 55.125 54.840 0.058 0.000 0.877 88 L CB -0.209 41.868 42.059 0.031 0.000 1.009 88 L HN 0.368 nan 8.230 nan 0.000 0.447 89 V N -4.224 115.743 119.914 0.089 0.000 2.594 89 V HA -0.161 3.959 4.120 -0.000 0.000 0.253 89 V C 2.139 178.147 176.094 -0.142 0.000 1.069 89 V CA 1.231 63.528 62.300 -0.006 0.000 1.082 89 V CB -0.554 31.286 31.823 0.027 0.000 0.680 89 V HN 0.180 nan 8.190 nan 0.000 0.469 90 V N 0.872 120.700 119.914 -0.144 0.000 2.244 90 V HA -0.052 4.068 4.120 -0.000 0.000 0.244 90 V C 0.548 176.590 176.094 -0.086 0.000 1.042 90 V CA 2.628 64.824 62.300 -0.174 0.000 1.006 90 V CB -1.760 29.996 31.823 -0.111 0.000 0.641 90 V HN 0.501 nan 8.190 nan 0.000 0.446 91 P HA -0.210 nan 4.420 nan 0.000 0.218 91 P C 1.709 179.034 177.300 0.042 0.000 1.148 91 P CA 1.521 64.637 63.100 0.026 0.000 0.822 91 P CB -0.030 31.746 31.700 0.127 0.000 0.784 92 Q N -0.300 119.492 119.800 -0.013 0.000 2.050 92 Q HA -0.162 4.178 4.340 -0.000 0.000 0.202 92 Q C 2.009 177.961 176.000 -0.079 0.000 0.980 92 Q CA 1.929 57.675 55.803 -0.096 0.000 0.840 92 Q CB -0.629 27.955 28.738 -0.256 0.000 0.898 92 Q HN 0.120 nan 8.270 nan 0.000 0.424 93 A N 0.221 122.984 122.820 -0.095 0.000 2.066 93 A HA -0.048 4.272 4.320 -0.000 0.000 0.218 93 A C 1.836 179.377 177.584 -0.070 0.000 1.157 93 A CA 0.616 52.595 52.037 -0.096 0.000 0.670 93 A CB -0.338 18.560 19.000 -0.170 0.000 0.804 93 A HN 0.445 nan 8.150 nan 0.000 0.453 94 L N -1.422 119.766 121.223 -0.059 0.000 2.552 94 L HA 0.128 4.468 4.340 -0.000 0.000 0.227 94 L C 1.658 178.513 176.870 -0.024 0.000 1.146 94 L CA 0.728 55.545 54.840 -0.038 0.000 0.858 94 L CB 0.018 42.053 42.059 -0.039 0.000 0.969 94 L HN 0.586 nan 8.230 nan 0.000 0.451 95 G N -0.971 107.816 108.800 -0.022 0.000 2.168 95 G HA2 -0.215 3.745 3.960 -0.000 0.000 0.197 95 G HA3 -0.215 3.745 3.960 -0.000 0.000 0.197 95 G C 0.214 175.116 174.900 0.004 0.000 0.997 95 G CA -0.490 44.603 45.100 -0.012 0.000 0.658 95 G HN 0.139 nan 8.290 nan 0.000 0.513 96 M N 1.381 120.998 119.600 0.028 0.000 2.249 96 M HA 0.397 4.877 4.480 -0.000 0.000 0.351 96 M C -0.008 176.334 176.300 0.071 0.000 1.180 96 M CA -0.325 55.032 55.300 0.095 0.000 1.127 96 M CB 0.900 33.614 32.600 0.191 0.000 1.546 96 M HN -0.004 nan 8.290 nan 0.000 0.461 97 E N 2.610 122.844 120.200 0.057 0.000 2.259 97 E HA 0.430 4.780 4.350 -0.000 0.000 0.281 97 E C -1.085 175.423 176.600 -0.154 0.000 1.027 97 E CA -0.231 56.138 56.400 -0.051 0.000 0.838 97 E CB 1.507 31.190 29.700 -0.028 0.000 1.066 97 E HN 0.357 nan 8.360 nan 0.000 0.401 98 V N 2.036 121.725 119.914 -0.375 0.000 2.686 98 V HA 0.394 4.514 4.120 -0.000 0.000 0.306 98 V C 0.184 176.061 176.094 -0.362 0.000 1.065 98 V CA -0.948 60.962 62.300 -0.651 0.000 0.894 98 V CB 1.936 33.135 31.823 -1.040 0.000 1.004 98 V HN 0.809 nan 8.190 nan 0.000 0.424 99 T N 1.291 115.742 114.554 -0.172 0.000 2.950 99 T HA 0.792 5.141 4.350 -0.000 0.000 0.288 99 T C -0.544 174.241 174.700 0.142 0.000 1.035 99 T CA -0.798 61.334 62.100 0.054 0.000 1.028 99 T CB 1.893 70.766 68.868 0.008 0.000 1.109 99 T HN 0.418 nan 8.240 nan 0.000 0.514 100 M N 3.177 122.863 119.600 0.144 0.000 2.268 100 M HA 0.430 4.910 4.480 -0.000 0.000 0.340 100 M C -0.886 175.404 176.300 -0.016 0.000 1.099 100 M CA -1.333 53.951 55.300 -0.026 0.000 1.053 100 M CB -0.186 32.294 32.600 -0.201 0.000 1.284 100 M HN 0.619 nan 8.290 nan 0.000 0.410 101 V N 6.811 126.716 119.914 -0.015 0.000 2.694 101 V HA 0.085 4.205 4.120 -0.000 0.000 0.306 101 V C -1.787 174.300 176.094 -0.011 0.000 1.054 101 V CA -0.783 61.514 62.300 -0.004 0.000 1.161 101 V CB 0.004 31.828 31.823 0.002 0.000 0.916 101 V HN 0.632 nan 8.190 nan 0.000 0.490 102 P HA 0.111 nan 4.420 nan 0.000 0.254 102 P C 0.933 178.232 177.300 -0.002 0.000 1.186 102 P CA 1.392 64.493 63.100 0.001 0.000 0.868 102 P CB -0.059 31.644 31.700 0.006 0.000 0.856 103 G N 3.458 112.254 108.800 -0.007 0.000 2.196 103 G HA2 -0.343 3.617 3.960 -0.000 0.000 0.268 103 G HA3 -0.343 3.617 3.960 -0.000 0.000 0.268 103 G C 0.599 175.494 174.900 -0.009 0.000 0.975 103 G CA 0.454 45.550 45.100 -0.006 0.000 0.648 103 G HN 0.525 nan 8.290 nan 0.000 0.538 104 K N 0.014 120.409 120.400 -0.010 0.000 2.564 104 K HA 0.541 4.860 4.320 -0.000 0.000 0.205 104 K C 1.247 177.845 176.600 -0.003 0.000 1.053 104 K CA 0.407 56.693 56.287 -0.002 0.000 1.072 104 K CB 0.933 33.437 32.500 0.006 0.000 0.822 104 K HN 1.468 nan 8.250 nan 0.000 0.497 105 G N 2.405 111.187 108.800 -0.031 0.000 2.750 105 G HA2 -0.212 3.748 3.960 -0.000 0.000 0.228 105 G HA3 -0.212 3.748 3.960 -0.000 0.000 0.228 105 G C -2.705 172.172 174.900 -0.037 0.000 1.367 105 G CA -0.996 44.076 45.100 -0.046 0.000 0.871 105 G HN 0.058 nan 8.290 nan 0.000 0.560 106 P HA 0.484 nan 4.420 nan 0.000 0.275 106 P C -0.444 176.878 177.300 0.038 0.000 1.227 106 P CA 0.195 63.282 63.100 -0.023 0.000 0.781 106 P CB 1.714 33.384 31.700 -0.051 0.000 0.906 107 S N 1.603 117.274 115.700 -0.049 0.000 2.548 107 S HA 0.662 5.132 4.470 -0.000 0.000 0.276 107 S C -1.644 172.850 174.600 -0.177 0.000 1.129 107 S CA -0.520 57.680 58.200 0.000 0.000 0.931 107 S CB 0.304 63.517 63.200 0.022 0.000 1.068 107 S HN 0.137 nan 8.310 nan 0.000 0.480 108 F N 4.938 124.908 119.950 0.034 0.000 2.347 108 F HA 0.406 4.933 4.527 -0.000 0.000 0.366 108 F C -1.378 174.423 175.800 0.002 0.000 1.107 108 F CA -1.874 56.127 58.000 0.002 0.000 1.058 108 F CB 1.679 40.674 39.000 -0.008 0.000 1.236 108 F HN 0.416 nan 8.300 nan 0.000 0.456 109 P HA -0.120 nan 4.420 nan 0.000 0.222 109 P C -0.255 177.096 177.300 0.084 0.000 1.147 109 P CA 1.124 64.274 63.100 0.083 0.000 0.790 109 P CB 0.331 32.057 31.700 0.043 0.000 0.780 110 E N 0.803 121.067 120.200 0.105 0.000 2.916 110 E HA 0.253 4.602 4.350 -0.000 0.000 0.217 110 E C -2.352 174.283 176.600 0.060 0.000 1.100 110 E CA -2.101 54.342 56.400 0.072 0.000 0.891 110 E CB 0.429 30.162 29.700 0.055 0.000 1.311 110 E HN 0.316 nan 8.360 nan 0.000 0.421 111 P HA 0.036 nan 4.420 nan 0.000 0.272 111 P C -0.225 177.034 177.300 -0.068 0.000 1.240 111 P CA -0.354 62.709 63.100 -0.061 0.000 0.791 111 P CB 0.997 32.659 31.700 -0.063 0.000 0.978 112 L N 2.450 123.578 121.223 -0.157 0.000 2.418 112 L HA 0.167 4.507 4.340 -0.000 0.000 0.274 112 L C 1.722 178.597 176.870 0.007 0.000 1.135 112 L CA 0.014 54.796 54.840 -0.096 0.000 0.870 112 L CB 0.172 42.075 42.059 -0.260 0.000 1.154 112 L HN 0.349 nan 8.230 nan 0.000 0.462 113 R N 1.732 122.352 120.500 0.201 0.000 2.507 113 R HA 0.163 4.503 4.340 -0.000 0.000 0.230 113 R C 0.090 176.645 176.300 0.425 0.000 0.897 113 R CA 0.235 56.535 56.100 0.332 0.000 1.006 113 R CB 0.744 31.144 30.300 0.166 0.000 1.341 113 R HN 0.785 nan 8.270 nan 0.000 0.604 114 E N -0.469 119.916 120.200 0.309 0.000 2.378 114 E HA 0.257 4.607 4.350 -0.000 0.000 0.265 114 E C -0.005 176.658 176.600 0.106 0.000 0.932 114 E CA -0.660 55.804 56.400 0.108 0.000 0.795 114 E CB 1.602 31.316 29.700 0.023 0.000 1.296 114 E HN -0.144 nan 8.360 nan 0.000 0.438 115 E N 0.517 120.648 120.200 -0.115 0.000 2.130 115 E HA -0.324 4.026 4.350 -0.000 0.000 0.196 115 E C 1.892 178.523 176.600 0.050 0.000 0.998 115 E CA 1.756 58.113 56.400 -0.072 0.000 0.806 115 E CB 0.103 29.716 29.700 -0.146 0.000 0.738 115 E HN 0.652 nan 8.360 nan 0.000 0.459 116 Q N 0.047 119.867 119.800 0.033 0.000 2.291 116 Q HA -0.165 4.175 4.340 -0.000 0.000 0.205 116 Q C 1.130 177.168 176.000 0.063 0.000 0.970 116 Q CA 1.404 57.231 55.803 0.040 0.000 0.876 116 Q CB 0.146 28.898 28.738 0.024 0.000 0.935 116 Q HN 0.291 nan 8.270 nan 0.000 0.455 117 D N 0.494 120.952 120.400 0.097 0.000 2.263 117 D HA -0.135 4.505 4.640 -0.000 0.000 0.208 117 D C 1.662 178.011 176.300 0.081 0.000 0.971 117 D CA 0.697 54.751 54.000 0.091 0.000 0.867 117 D CB -0.035 40.832 40.800 0.112 0.000 0.929 117 D HN 0.375 nan 8.370 nan 0.000 0.492 118 L N 0.665 121.955 121.223 0.111 0.000 2.265 118 L HA -0.125 4.215 4.340 -0.000 0.000 0.215 118 L C 2.088 178.989 176.870 0.051 0.000 1.117 118 L CA 0.868 55.759 54.840 0.084 0.000 0.782 118 L CB -0.403 41.724 42.059 0.114 0.000 0.914 118 L HN -0.008 nan 8.230 nan 0.000 0.441 119 E N 0.652 120.880 120.200 0.047 0.000 2.265 119 E HA -0.207 4.142 4.350 -0.000 0.000 0.196 119 E C 1.991 178.605 176.600 0.025 0.000 0.996 119 E CA 0.867 57.287 56.400 0.033 0.000 0.832 119 E CB 0.015 29.733 29.700 0.030 0.000 0.756 119 E HN 0.604 nan 8.360 nan 0.000 0.491 120 R N 0.455 120.969 120.500 0.023 0.000 2.299 120 R HA 0.102 4.442 4.340 -0.000 0.000 0.197 120 R C 0.592 176.898 176.300 0.009 0.000 0.971 120 R CA 0.085 56.194 56.100 0.015 0.000 1.030 120 R CB -0.279 30.030 30.300 0.015 0.000 0.932 120 R HN -0.008 nan 8.270 nan 0.000 0.477 121 L N 1.968 123.196 121.223 0.008 0.000 2.417 121 L HA 0.267 4.607 4.340 -0.000 0.000 0.268 121 L C 0.637 177.509 176.870 0.004 0.000 1.158 121 L CA -0.757 54.083 54.840 0.000 0.000 0.819 121 L CB 0.609 42.665 42.059 -0.004 0.000 1.112 121 L HN 0.098 nan 8.230 nan 0.000 0.458 122 R N 0.878 121.377 120.500 -0.002 0.000 2.734 122 R HA -0.013 4.327 4.340 -0.000 0.000 0.266 122 R C -0.151 176.153 176.300 0.007 0.000 1.044 122 R CA -0.491 55.610 56.100 0.001 0.000 1.128 122 R CB 0.263 30.559 30.300 -0.007 0.000 1.010 122 R HN 0.535 nan 8.270 nan 0.000 0.461 123 D N 3.198 123.605 120.400 0.012 0.000 2.487 123 D HA -0.037 4.603 4.640 -0.000 0.000 0.243 123 D C -1.318 174.993 176.300 0.018 0.000 1.154 123 D CA -1.357 52.654 54.000 0.018 0.000 0.876 123 D CB 1.015 41.827 40.800 0.020 0.000 1.161 123 D HN 0.265 nan 8.370 nan 0.000 0.478 124 P HA -0.135 nan 4.420 nan 0.000 0.220 124 P C 0.745 178.066 177.300 0.035 0.000 1.148 124 P CA 0.949 64.065 63.100 0.026 0.000 0.803 124 P CB 0.296 32.018 31.700 0.037 0.000 0.782 125 E N -0.117 120.105 120.200 0.037 0.000 2.338 125 E HA -0.066 4.284 4.350 -0.000 0.000 0.197 125 E C 1.700 178.325 176.600 0.041 0.000 1.007 125 E CA 0.890 57.316 56.400 0.043 0.000 0.849 125 E CB -0.168 29.556 29.700 0.040 0.000 0.774 125 E HN 0.241 nan 8.360 nan 0.000 0.506 126 V N -3.142 116.789 119.914 0.029 0.000 3.647 126 V HA 0.056 4.176 4.120 -0.000 0.000 0.279 126 V C 1.802 177.903 176.094 0.011 0.000 1.314 126 V CA 0.106 62.421 62.300 0.025 0.000 1.125 126 V CB 0.323 32.156 31.823 0.017 0.000 0.907 126 V HN -0.037 nan 8.190 nan 0.000 0.434 127 V N 1.563 121.478 119.914 0.001 0.000 2.343 127 V HA -0.181 3.939 4.120 -0.000 0.000 0.247 127 V C 3.117 179.177 176.094 -0.058 0.000 1.051 127 V CA 2.459 64.731 62.300 -0.046 0.000 1.036 127 V CB -1.013 30.773 31.823 -0.063 0.000 0.654 127 V HN 0.677 nan 8.190 nan 0.000 0.451 128 A N 0.635 123.481 122.820 0.044 0.000 1.933 128 A HA -0.213 4.107 4.320 -0.000 0.000 0.218 128 A C 2.547 180.188 177.584 0.096 0.000 1.175 128 A CA 2.195 54.322 52.037 0.151 0.000 0.628 128 A CB -0.760 18.438 19.000 0.329 0.000 0.814 128 A HN 0.700 nan 8.150 nan 0.000 0.444 129 S N -0.222 115.526 115.700 0.079 0.000 2.399 129 S HA -0.154 4.316 4.470 -0.000 0.000 0.231 129 S C 1.438 176.030 174.600 -0.012 0.000 1.022 129 S CA 1.371 59.607 58.200 0.059 0.000 0.983 129 S CB -0.341 62.893 63.200 0.055 0.000 0.803 129 S HN 0.539 nan 8.310 nan 0.000 0.480 130 E N 1.061 121.228 120.200 -0.056 0.000 2.427 130 E HA 0.160 4.510 4.350 -0.000 0.000 0.196 130 E C 1.178 177.678 176.600 -0.166 0.000 1.028 130 E CA 0.428 56.786 56.400 -0.070 0.000 0.864 130 E CB -0.142 29.518 29.700 -0.068 0.000 0.813 130 E HN 0.610 nan 8.360 nan 0.000 0.514 131 L N -0.230 120.762 121.223 -0.384 0.000 2.872 131 L HA 0.256 4.596 4.340 -0.000 0.000 0.245 131 L C 1.866 178.116 176.870 -1.034 0.000 1.211 131 L CA -0.179 54.165 54.840 -0.826 0.000 1.013 131 L CB 0.353 41.865 42.059 -0.912 0.000 1.326 131 L HN 0.032 nan 8.230 nan 0.000 0.525 132 G N 1.016 109.499 108.800 -0.527 0.000 2.503 132 G HA2 -0.375 3.585 3.960 -0.000 0.000 0.221 132 G HA3 -0.375 3.585 3.960 -0.000 0.000 0.221 132 G C 1.353 176.132 174.900 -0.201 0.000 1.131 132 G CA 1.519 46.459 45.100 -0.266 0.000 0.756 132 G HN 0.615 nan 8.290 nan 0.000 0.572 133 Y N 0.458 120.674 120.300 -0.139 0.000 2.256 133 Y HA -0.014 4.536 4.550 -0.000 0.000 0.288 133 Y C 2.422 178.287 175.900 -0.058 0.000 1.155 133 Y CA 1.008 59.067 58.100 -0.069 0.000 1.203 133 Y CB -0.850 37.574 38.460 -0.060 0.000 0.980 133 Y HN 0.038 nan 8.280 nan 0.000 0.530 134 V N 0.655 120.240 119.914 -0.548 0.000 2.379 134 V HA -0.234 3.886 4.120 -0.000 0.000 0.245 134 V C 2.285 178.368 176.094 -0.018 0.000 1.044 134 V CA 1.928 64.065 62.300 -0.272 0.000 1.036 134 V CB -1.047 30.559 31.823 -0.360 0.000 0.664 134 V HN 0.498 nan 8.190 nan 0.000 0.453 135 F N 0.222 120.154 119.950 -0.030 0.000 2.134 135 F HA -0.237 4.290 4.527 -0.000 0.000 0.299 135 F C 2.731 178.556 175.800 0.042 0.000 1.097 135 F CA 1.302 59.306 58.000 0.007 0.000 1.264 135 F CB -0.392 38.617 39.000 0.016 0.000 1.001 135 F HN 0.146 nan 8.300 nan 0.000 0.479 136 Q N 0.541 120.472 119.800 0.219 0.000 2.084 136 Q HA -0.182 4.158 4.340 -0.000 0.000 0.202 136 Q C 2.530 178.617 176.000 0.145 0.000 0.978 136 Q CA 1.425 57.328 55.803 0.167 0.000 0.844 136 Q CB -0.385 28.437 28.738 0.140 0.000 0.898 136 Q HN 0.456 nan 8.270 nan 0.000 0.426 137 A N 0.745 123.648 122.820 0.139 0.000 1.902 137 A HA -0.172 4.148 4.320 -0.000 0.000 0.217 137 A C 2.028 179.681 177.584 0.114 0.000 1.181 137 A CA 1.128 53.241 52.037 0.126 0.000 0.623 137 A CB -0.588 18.496 19.000 0.141 0.000 0.818 137 A HN 0.309 nan 8.150 nan 0.000 0.443 138 I N -0.586 120.055 120.570 0.117 0.000 2.179 138 I HA -0.226 3.944 4.170 -0.000 0.000 0.242 138 I C 2.618 178.773 176.117 0.064 0.000 1.088 138 I CA 1.774 63.120 61.300 0.078 0.000 1.357 138 I CB -0.602 37.445 38.000 0.078 0.000 1.051 138 I HN 0.251 nan 8.210 nan 0.000 0.409 139 T N 1.164 115.799 114.554 0.136 0.000 2.708 139 T HA -0.181 4.169 4.350 -0.000 0.000 0.266 139 T C 1.860 176.686 174.700 0.210 0.000 1.037 139 T CA 1.350 63.588 62.100 0.229 0.000 1.146 139 T CB -0.353 68.672 68.868 0.262 0.000 0.865 139 T HN 0.172 nan 8.240 nan 0.000 0.435 140 L N 1.117 122.428 121.223 0.147 0.000 2.017 140 L HA -0.093 4.247 4.340 -0.000 0.000 0.208 140 L C 2.477 179.402 176.870 0.092 0.000 1.073 140 L CA 1.900 56.809 54.840 0.116 0.000 0.745 140 L CB -1.207 40.907 42.059 0.091 0.000 0.894 140 L HN 0.196 nan 8.230 nan 0.000 0.432 141 T N -0.852 113.744 114.554 0.071 0.000 2.777 141 T HA -0.207 4.143 4.350 -0.000 0.000 0.266 141 T C 1.975 176.683 174.700 0.014 0.000 1.040 141 T CA 1.534 63.660 62.100 0.044 0.000 1.141 141 T CB -0.259 68.636 68.868 0.045 0.000 0.868 141 T HN 0.276 nan 8.240 nan 0.000 0.444 142 R N 1.226 121.708 120.500 -0.030 0.000 2.081 142 R HA -0.076 4.264 4.340 -0.000 0.000 0.235 142 R C 2.405 178.721 176.300 0.027 0.000 1.131 142 R CA 1.555 57.576 56.100 -0.130 0.000 0.960 142 R CB -0.291 29.706 30.300 -0.504 0.000 0.856 142 R HN 0.472 nan 8.270 nan 0.000 0.436 143 Q N -0.550 119.348 119.800 0.164 0.000 2.046 143 Q HA -0.091 4.249 4.340 -0.000 0.000 0.200 143 Q C 2.150 178.213 176.000 0.105 0.000 0.975 143 Q CA 1.331 57.255 55.803 0.202 0.000 0.836 143 Q CB -0.075 28.779 28.738 0.192 0.000 0.896 143 Q HN 0.219 nan 8.270 nan 0.000 0.428 144 R N 0.530 121.074 120.500 0.074 0.000 2.115 144 R HA -0.041 4.299 4.340 -0.000 0.000 0.230 144 R C 2.248 178.570 176.300 0.037 0.000 1.111 144 R CA 0.757 56.886 56.100 0.049 0.000 0.976 144 R CB -0.502 29.822 30.300 0.040 0.000 0.870 144 R HN 0.323 nan 8.270 nan 0.000 0.445 145 L N 0.513 121.754 121.223 0.030 0.000 2.191 145 L HA -0.099 4.241 4.340 -0.000 0.000 0.212 145 L C 1.088 177.973 176.870 0.026 0.000 1.103 145 L CA 1.030 55.881 54.840 0.018 0.000 0.769 145 L CB -0.377 41.680 42.059 -0.003 0.000 0.908 145 L HN 0.260 nan 8.230 nan 0.000 0.438 146 A N -0.213 122.632 122.820 0.041 0.000 2.822 146 A HA -0.154 4.166 4.320 -0.000 0.000 0.287 146 A C 1.292 178.902 177.584 0.043 0.000 1.479 146 A CA 0.829 52.896 52.037 0.050 0.000 0.779 146 A CB -2.113 16.911 19.000 0.040 0.000 1.022 146 A HN 1.018 nan 8.150 nan 0.000 0.532 147 G N -1.628 107.193 108.800 0.037 0.000 2.148 147 G HA2 -0.385 3.575 3.960 -0.000 0.000 0.254 147 G HA3 -0.385 3.575 3.960 -0.000 0.000 0.254 147 G C 0.839 175.756 174.900 0.028 0.000 0.981 147 G CA 1.426 46.546 45.100 0.033 0.000 0.670 147 G HN 1.427 nan 8.290 nan 0.000 0.528 148 R N 0.013 120.527 120.500 0.023 0.000 2.080 148 R HA 0.150 4.490 4.340 -0.000 0.000 0.236 148 R C 1.363 177.681 176.300 0.030 0.000 1.137 148 R CA 2.515 58.631 56.100 0.027 0.000 0.943 148 R CB -0.172 30.142 30.300 0.024 0.000 0.846 148 R HN 1.131 nan 8.270 nan 0.000 0.431 149 V N -4.278 115.644 119.914 0.013 0.000 3.206 149 V HA 0.552 4.672 4.120 -0.000 0.000 0.305 149 V C -2.867 173.207 176.094 -0.034 0.000 1.257 149 V CA -2.720 59.583 62.300 0.005 0.000 1.057 149 V CB 1.736 33.555 31.823 -0.006 0.000 1.075 149 V HN -0.014 nan 8.190 nan 0.000 0.443 150 P HA 0.453 nan 4.420 nan 0.000 0.272 150 P C -1.058 176.138 177.300 -0.174 0.000 1.223 150 P CA -0.160 62.898 63.100 -0.069 0.000 0.784 150 P CB 0.605 32.326 31.700 0.034 0.000 0.923 151 L N 3.186 124.318 121.223 -0.152 0.000 2.287 151 L HA 0.453 4.793 4.340 -0.000 0.000 0.287 151 L C -0.816 175.955 176.870 -0.165 0.000 1.022 151 L CA -0.359 54.381 54.840 -0.167 0.000 0.814 151 L CB 0.308 42.289 42.059 -0.129 0.000 1.217 151 L HN 0.216 nan 8.230 nan 0.000 0.420 152 I N 4.877 125.311 120.570 -0.226 0.000 2.353 152 I HA 0.503 4.673 4.170 -0.000 0.000 0.293 152 I C 0.925 177.041 176.117 -0.001 0.000 0.992 152 I CA -0.259 60.937 61.300 -0.173 0.000 1.268 152 I CB 1.387 39.140 38.000 -0.412 0.000 1.387 152 I HN 0.754 nan 8.210 nan 0.000 0.478 153 G N 5.137 113.963 108.800 0.045 0.000 2.511 153 G HA2 0.769 4.729 3.960 -0.000 0.000 0.316 153 G HA3 0.769 4.729 3.960 -0.000 0.000 0.316 153 G C -1.087 173.958 174.900 0.243 0.000 1.210 153 G CA -0.348 44.804 45.100 0.087 0.000 0.969 153 G HN 0.628 nan 8.290 nan 0.000 0.492 154 F N -2.271 117.712 119.950 0.056 0.000 2.741 154 F HA 0.828 5.355 4.527 -0.000 0.000 0.311 154 F C -0.583 175.330 175.800 0.189 0.000 1.149 154 F CA -1.058 57.057 58.000 0.192 0.000 0.930 154 F CB 1.142 40.391 39.000 0.415 0.000 1.312 154 F HN 1.034 nan 8.300 nan 0.000 0.450 155 A N 0.584 123.654 122.820 0.417 0.000 2.599 155 A HA 0.806 5.126 4.320 -0.000 0.000 0.290 155 A C -0.678 177.221 177.584 0.525 0.000 1.101 155 A CA -0.546 51.705 52.037 0.356 0.000 0.674 155 A CB 0.879 20.039 19.000 0.267 0.000 1.277 155 A HN 1.854 nan 8.150 nan 0.000 0.419 156 G N -0.159 108.874 108.800 0.389 0.000 2.467 156 G HA2 0.649 4.609 3.960 -0.000 0.000 0.257 156 G HA3 0.649 4.609 3.960 -0.000 0.000 0.257 156 G C 0.366 175.437 174.900 0.285 0.000 1.227 156 G CA 0.412 45.718 45.100 0.344 0.000 0.835 156 G HN 1.706 nan 8.290 nan 0.000 0.556 157 A N 3.196 126.182 122.820 0.277 0.000 2.386 157 A HA 0.568 4.888 4.320 -0.000 0.000 0.248 157 A C -0.826 176.873 177.584 0.191 0.000 1.082 157 A CA -0.990 51.191 52.037 0.240 0.000 0.789 157 A CB 0.656 19.803 19.000 0.246 0.000 1.025 157 A HN 0.455 nan 8.150 nan 0.000 0.490 158 P HA -0.205 nan 4.420 nan 0.000 0.215 158 P C 1.573 178.947 177.300 0.123 0.000 1.163 158 P CA 1.792 64.962 63.100 0.117 0.000 0.894 158 P CB -0.195 31.559 31.700 0.091 0.000 0.791 159 W N 0.161 121.475 121.300 0.024 0.000 2.355 159 W HA -0.175 4.485 4.660 -0.000 0.000 0.309 159 W C 1.447 177.984 176.519 0.030 0.000 1.206 159 W CA 1.838 59.188 57.345 0.009 0.000 1.284 159 W CB -1.134 28.344 29.460 0.030 0.000 1.145 159 W HN -0.068 nan 8.180 nan 0.000 0.502 160 T N 2.332 116.786 114.554 -0.168 0.000 2.788 160 T HA -0.186 4.164 4.350 -0.000 0.000 0.268 160 T C 1.970 176.553 174.700 -0.196 0.000 1.044 160 T CA 1.850 63.756 62.100 -0.324 0.000 1.139 160 T CB -0.533 68.302 68.868 -0.053 0.000 0.867 160 T HN 0.149 nan 8.240 nan 0.000 0.454 161 L N 0.527 121.724 121.223 -0.045 0.000 2.093 161 L HA -0.031 4.309 4.340 -0.000 0.000 0.208 161 L C 2.631 179.420 176.870 -0.135 0.000 1.085 161 L CA 1.153 55.998 54.840 0.008 0.000 0.755 161 L CB -0.531 41.539 42.059 0.019 0.000 0.904 161 L HN 0.340 nan 8.230 nan 0.000 0.435 162 M N 0.136 119.590 119.600 -0.244 0.000 2.108 162 M HA -0.221 4.259 4.480 -0.000 0.000 0.261 162 M C 2.394 178.380 176.300 -0.523 0.000 1.066 162 M CA 2.409 57.491 55.300 -0.363 0.000 1.107 162 M CB -0.259 32.175 32.600 -0.277 0.000 1.356 162 M HN 0.391 nan 8.290 nan 0.000 0.406 163 T N -1.363 112.773 114.554 -0.697 0.000 2.788 163 T HA -0.148 4.202 4.350 -0.000 0.000 0.268 163 T C 1.458 175.851 174.700 -0.513 0.000 1.044 163 T CA 1.483 63.148 62.100 -0.724 0.000 1.139 163 T CB -1.122 67.260 68.868 -0.810 0.000 0.867 163 T HN 0.477 nan 8.240 nan 0.000 0.454 164 F N 1.354 121.113 119.950 -0.318 0.000 2.146 164 F HA 0.171 4.698 4.527 -0.000 0.000 0.298 164 F C 2.702 178.183 175.800 -0.532 0.000 1.096 164 F CA 1.184 59.052 58.000 -0.219 0.000 1.275 164 F CB -0.483 38.505 39.000 -0.020 0.000 1.008 164 F HN 0.079 nan 8.300 nan 0.000 0.480 165 M N -0.941 118.352 119.600 -0.512 0.000 2.175 165 M HA -0.162 4.318 4.480 -0.000 0.000 0.264 165 M C 1.937 177.886 176.300 -0.585 0.000 1.063 165 M CA 1.116 55.956 55.300 -0.767 0.000 1.119 165 M CB -0.398 31.860 32.600 -0.569 0.000 1.377 165 M HN -0.010 nan 8.290 nan 0.000 0.415 166 V N -0.583 119.013 119.914 -0.531 0.000 2.500 166 V HA -0.083 4.037 4.120 -0.000 0.000 0.243 166 V C 2.221 178.127 176.094 -0.313 0.000 1.039 166 V CA 1.233 63.227 62.300 -0.510 0.000 1.053 166 V CB -0.386 30.986 31.823 -0.753 0.000 0.695 166 V HN 0.322 nan 8.190 nan 0.000 0.463 167 E N 0.432 120.461 120.200 -0.286 0.000 2.208 167 E HA -0.001 4.349 4.350 -0.000 0.000 0.193 167 E C 1.907 178.464 176.600 -0.073 0.000 0.988 167 E CA 1.018 57.312 56.400 -0.177 0.000 0.828 167 E CB -0.212 29.357 29.700 -0.219 0.000 0.763 167 E HN 0.648 nan 8.360 nan 0.000 0.478 168 G N 0.411 109.189 108.800 -0.037 0.000 2.143 168 G HA2 -0.186 3.774 3.960 -0.000 0.000 0.249 168 G HA3 -0.186 3.774 3.960 -0.000 0.000 0.249 168 G C 0.546 175.644 174.900 0.330 0.000 0.981 168 G CA 0.646 45.846 45.100 0.168 0.000 0.665 168 G HN 0.754 nan 8.290 nan 0.000 0.528 169 G N -1.913 107.066 108.800 0.299 0.000 2.351 169 G HA2 0.620 4.580 3.960 -0.000 0.000 0.279 169 G HA3 0.620 4.580 3.960 -0.000 0.000 0.279 169 G C 0.375 175.336 174.900 0.102 0.000 1.297 169 G CA 0.641 45.938 45.100 0.328 0.000 0.886 169 G HN 1.772 nan 8.290 nan 0.000 0.493 170 G N -0.847 108.020 108.800 0.111 0.000 2.606 170 G HA2 0.602 4.562 3.960 -0.000 0.000 0.252 170 G HA3 0.602 4.562 3.960 -0.000 0.000 0.252 170 G C 0.116 174.952 174.900 -0.106 0.000 1.206 170 G CA 1.110 46.189 45.100 -0.034 0.000 0.861 170 G HN 1.701 nan 8.290 nan 0.000 0.561 171 S N -1.817 113.770 115.700 -0.188 0.000 2.537 171 S HA 0.412 4.882 4.470 -0.000 0.000 0.271 171 S C 0.882 175.391 174.600 -0.152 0.000 1.148 171 S CA 0.253 58.350 58.200 -0.171 0.000 0.868 171 S CB 1.332 64.388 63.200 -0.241 0.000 1.115 171 S HN 1.281 nan 8.310 nan 0.000 0.461 172 S N 1.593 117.260 115.700 -0.056 0.000 2.527 172 S HA 0.049 4.519 4.470 -0.000 0.000 0.222 172 S C 1.244 175.897 174.600 0.088 0.000 0.985 172 S CA 1.174 59.394 58.200 0.034 0.000 0.921 172 S CB -0.430 62.791 63.200 0.035 0.000 0.772 172 S HN 1.047 nan 8.310 nan 0.000 0.529 173 T N -2.839 111.694 114.554 -0.036 0.000 2.969 173 T HA 0.315 4.665 4.350 -0.000 0.000 0.258 173 T C 0.645 175.266 174.700 -0.131 0.000 0.962 173 T CA 0.032 62.138 62.100 0.010 0.000 0.903 173 T CB -0.139 68.741 68.868 0.019 0.000 1.177 173 T HN 0.146 nan 8.240 nan 0.000 0.511 174 M N 0.988 120.395 119.600 -0.322 0.000 2.333 174 M HA -0.217 4.263 4.480 -0.000 0.000 0.199 174 M C 1.362 177.625 176.300 -0.062 0.000 0.376 174 M CA 0.739 55.875 55.300 -0.275 0.000 0.440 174 M CB -2.584 29.809 32.600 -0.344 0.000 1.506 174 M HN 0.621 nan 8.290 nan 0.000 0.889 175 A N -0.309 122.490 122.820 -0.035 0.000 1.972 175 A HA -0.172 4.147 4.320 -0.000 0.000 0.219 175 A C 2.068 179.683 177.584 0.051 0.000 1.169 175 A CA 1.841 53.895 52.037 0.027 0.000 0.635 175 A CB -0.177 18.834 19.000 0.018 0.000 0.810 175 A HN 0.762 nan 8.150 nan 0.000 0.446 176 Q N -0.717 119.092 119.800 0.015 0.000 2.096 176 Q HA 0.031 4.371 4.340 -0.000 0.000 0.197 176 Q C 2.409 178.457 176.000 0.079 0.000 0.964 176 Q CA 1.112 56.945 55.803 0.051 0.000 0.838 176 Q CB -0.322 28.417 28.738 0.002 0.000 0.906 176 Q HN 0.641 nan 8.270 nan 0.000 0.444 177 A N 1.783 124.587 122.820 -0.026 0.000 1.930 177 A HA -0.165 4.155 4.320 -0.000 0.000 0.217 177 A C 1.935 179.647 177.584 0.212 0.000 1.175 177 A CA 1.280 53.300 52.037 -0.029 0.000 0.627 177 A CB -0.206 18.661 19.000 -0.221 0.000 0.815 177 A HN 0.146 nan 8.150 nan 0.000 0.443 178 K N -0.783 119.752 120.400 0.225 0.000 2.148 178 K HA -0.097 4.223 4.320 -0.000 0.000 0.204 178 K C 2.289 179.006 176.600 0.194 0.000 1.050 178 K CA 1.276 57.668 56.287 0.175 0.000 0.942 178 K CB -0.122 32.496 32.500 0.196 0.000 0.724 178 K HN 0.453 nan 8.250 nan 0.000 0.446 179 R N 0.065 120.693 120.500 0.214 0.000 2.096 179 R HA -0.163 4.177 4.340 -0.000 0.000 0.235 179 R C 1.668 178.084 176.300 0.194 0.000 1.127 179 R CA 1.411 57.635 56.100 0.207 0.000 0.968 179 R CB -0.157 30.236 30.300 0.155 0.000 0.861 179 R HN 0.216 nan 8.270 nan 0.000 0.440 180 W N 1.015 122.296 121.300 -0.032 0.000 2.335 180 W HA -0.158 4.502 4.660 -0.000 0.000 0.311 180 W C 1.908 178.309 176.519 -0.196 0.000 1.213 180 W CA 1.291 58.585 57.345 -0.085 0.000 1.274 180 W CB -0.568 28.839 29.460 -0.088 0.000 1.148 180 W HN 0.090 nan 8.180 nan 0.000 0.498 181 L N -1.814 119.333 121.223 -0.125 0.000 2.042 181 L HA -0.264 4.076 4.340 -0.000 0.000 0.210 181 L C 2.127 178.739 176.870 -0.431 0.000 1.076 181 L CA 1.519 55.954 54.840 -0.674 0.000 0.749 181 L CB -1.144 40.267 42.059 -1.081 0.000 0.893 181 L HN 0.057 nan 8.230 nan 0.000 0.432 182 Y N -0.495 119.735 120.300 -0.117 0.000 2.314 182 Y HA -0.109 4.441 4.550 -0.000 0.000 0.294 182 Y C 2.703 178.585 175.900 -0.030 0.000 1.119 182 Y CA 0.765 58.844 58.100 -0.036 0.000 1.179 182 Y CB 0.141 38.588 38.460 -0.021 0.000 1.025 182 Y HN 0.164 nan 8.280 nan 0.000 0.541 183 Q N -0.249 119.605 119.800 0.091 0.000 2.373 183 Q HA 0.119 4.459 4.340 -0.000 0.000 0.210 183 Q C 0.317 176.268 176.000 -0.081 0.000 0.913 183 Q CA 0.467 56.271 55.803 0.001 0.000 0.911 183 Q CB 0.454 29.173 28.738 -0.030 0.000 1.040 183 Q HN 0.348 nan 8.270 nan 0.000 0.521 184 R N 0.793 121.209 120.500 -0.140 0.000 2.886 184 R HA 0.189 4.529 4.340 -0.000 0.000 0.306 184 R C -2.129 174.113 176.300 -0.097 0.000 1.300 184 R CA -1.217 54.753 56.100 -0.217 0.000 1.441 184 R CB 0.660 30.620 30.300 -0.567 0.000 1.328 184 R HN 0.042 nan 8.270 nan 0.000 0.629 185 P HA -0.211 nan 4.420 nan 0.000 0.215 185 P C 0.897 178.285 177.300 0.146 0.000 1.153 185 P CA 1.330 64.498 63.100 0.113 0.000 0.853 185 P CB 0.402 32.238 31.700 0.227 0.000 0.788 186 Q N -0.194 119.683 119.800 0.128 0.000 2.050 186 Q HA -0.093 4.247 4.340 -0.000 0.000 0.202 186 Q C 2.445 178.535 176.000 0.149 0.000 0.980 186 Q CA 1.768 57.671 55.803 0.166 0.000 0.840 186 Q CB -0.716 28.081 28.738 0.099 0.000 0.898 186 Q HN 0.182 nan 8.270 nan 0.000 0.424 187 A N 0.542 123.395 122.820 0.056 0.000 1.933 187 A HA -0.172 4.148 4.320 -0.000 0.000 0.218 187 A C 2.268 180.007 177.584 0.257 0.000 1.175 187 A CA 1.618 53.701 52.037 0.076 0.000 0.628 187 A CB -0.461 18.444 19.000 -0.158 0.000 0.814 187 A HN 0.242 nan 8.150 nan 0.000 0.444 188 S N -0.718 115.128 115.700 0.242 0.000 2.348 188 S HA -0.169 4.301 4.470 -0.000 0.000 0.221 188 S C 1.940 176.653 174.600 0.189 0.000 1.033 188 S CA 1.329 59.681 58.200 0.253 0.000 1.010 188 S CB -0.591 62.618 63.200 0.016 0.000 0.891 188 S HN 0.711 nan 8.310 nan 0.000 0.442 189 H N 1.270 120.524 119.070 0.307 0.000 2.352 189 H HA -0.077 4.478 4.556 -0.000 0.000 0.299 189 H C 2.392 177.803 175.328 0.138 0.000 1.097 189 H CA 1.604 57.810 56.048 0.262 0.000 1.311 189 H CB -0.583 29.347 29.762 0.279 0.000 1.377 189 H HN 0.500 nan 8.280 nan 0.000 0.504 190 Q N 0.193 120.144 119.800 0.252 0.000 2.061 190 Q HA -0.152 4.188 4.340 -0.000 0.000 0.204 190 Q C 2.361 178.425 176.000 0.107 0.000 0.984 190 Q CA 1.475 57.376 55.803 0.164 0.000 0.846 190 Q CB -0.109 28.716 28.738 0.145 0.000 0.902 190 Q HN 0.278 nan 8.270 nan 0.000 0.421 191 L N 0.543 121.834 121.223 0.113 0.000 2.046 191 L HA -0.140 4.200 4.340 -0.000 0.000 0.208 191 L C 2.056 178.892 176.870 -0.056 0.000 1.077 191 L CA 1.577 56.438 54.840 0.035 0.000 0.747 191 L CB -0.504 41.574 42.059 0.032 0.000 0.896 191 L HN 0.304 nan 8.230 nan 0.000 0.432 192 L N -0.768 120.376 121.223 -0.132 0.000 2.083 192 L HA -0.186 4.154 4.340 -0.000 0.000 0.209 192 L C 2.726 179.330 176.870 -0.443 0.000 1.083 192 L CA 1.260 55.850 54.840 -0.417 0.000 0.752 192 L CB -0.563 41.008 42.059 -0.813 0.000 0.899 192 L HN 0.271 nan 8.230 nan 0.000 0.433 193 R N 0.908 121.297 120.500 -0.185 0.000 2.075 193 R HA -0.093 4.247 4.340 -0.000 0.000 0.232 193 R C 2.074 178.404 176.300 0.049 0.000 1.126 193 R CA 1.509 57.642 56.100 0.055 0.000 0.963 193 R CB -0.586 29.813 30.300 0.164 0.000 0.858 193 R HN 0.235 nan 8.270 nan 0.000 0.435 194 I N 0.243 120.828 120.570 0.025 0.000 2.127 194 I HA -0.336 3.834 4.170 -0.000 0.000 0.241 194 I C 2.098 178.228 176.117 0.020 0.000 1.075 194 I CA 1.463 62.779 61.300 0.026 0.000 1.334 194 I CB -0.298 37.711 38.000 0.016 0.000 1.040 194 I HN 0.170 nan 8.210 nan 0.000 0.405 195 L N -0.181 121.038 121.223 -0.007 0.000 2.017 195 L HA -0.231 4.109 4.340 -0.000 0.000 0.208 195 L C 2.643 179.549 176.870 0.060 0.000 1.073 195 L CA 1.690 56.536 54.840 0.009 0.000 0.745 195 L CB -0.894 41.152 42.059 -0.021 0.000 0.894 195 L HN 0.266 nan 8.230 nan 0.000 0.432 196 T N -0.967 113.632 114.554 0.076 0.000 2.684 196 T HA -0.197 4.153 4.350 -0.000 0.000 0.267 196 T C 1.420 176.196 174.700 0.128 0.000 1.036 196 T CA 1.631 63.818 62.100 0.145 0.000 1.148 196 T CB -0.272 68.739 68.868 0.238 0.000 0.863 196 T HN 0.305 nan 8.240 nan 0.000 0.436 197 D N 0.943 121.406 120.400 0.105 0.000 2.264 197 D HA 0.078 4.718 4.640 -0.000 0.000 0.208 197 D C 2.123 178.475 176.300 0.086 0.000 0.966 197 D CA 0.800 54.855 54.000 0.092 0.000 0.864 197 D CB -0.246 40.600 40.800 0.077 0.000 0.933 197 D HN 0.432 nan 8.370 nan 0.000 0.499 198 A N 0.100 122.967 122.820 0.080 0.000 1.935 198 A HA 0.031 4.351 4.320 -0.000 0.000 0.214 198 A C 2.259 179.922 177.584 0.133 0.000 1.178 198 A CA 0.349 52.431 52.037 0.076 0.000 0.640 198 A CB -0.474 18.545 19.000 0.032 0.000 0.825 198 A HN 0.155 nan 8.150 nan 0.000 0.447 199 L N -0.495 120.820 121.223 0.153 0.000 2.056 199 L HA -0.134 4.206 4.340 -0.000 0.000 0.207 199 L C 2.518 179.512 176.870 0.206 0.000 1.078 199 L CA 0.839 55.812 54.840 0.222 0.000 0.749 199 L CB -0.477 41.703 42.059 0.201 0.000 0.901 199 L HN 0.230 nan 8.230 nan 0.000 0.433 200 V N 0.553 120.559 119.914 0.153 0.000 2.233 200 V HA -0.184 3.936 4.120 -0.000 0.000 0.247 200 V C -0.227 175.936 176.094 0.114 0.000 1.050 200 V CA 2.256 64.626 62.300 0.117 0.000 1.010 200 V CB -1.739 30.141 31.823 0.095 0.000 0.637 200 V HN 0.364 nan 8.190 nan 0.000 0.444 201 P HA -0.198 nan 4.420 nan 0.000 0.218 201 P C 1.535 178.967 177.300 0.220 0.000 1.149 201 P CA 1.607 64.786 63.100 0.131 0.000 0.817 201 P CB -0.176 31.598 31.700 0.124 0.000 0.785 202 Y N 1.159 121.535 120.300 0.126 0.000 2.163 202 Y HA -0.135 4.415 4.550 -0.000 0.000 0.288 202 Y C 2.303 178.311 175.900 0.181 0.000 1.136 202 Y CA 1.206 59.428 58.100 0.203 0.000 1.147 202 Y CB -1.334 37.184 38.460 0.097 0.000 0.987 202 Y HN -0.237 nan 8.280 nan 0.000 0.509 203 L N -1.221 119.982 121.223 -0.033 0.000 2.046 203 L HA -0.215 4.124 4.340 -0.000 0.000 0.208 203 L C 2.444 179.253 176.870 -0.102 0.000 1.077 203 L CA 1.174 55.925 54.840 -0.149 0.000 0.747 203 L CB -0.841 41.198 42.059 -0.034 0.000 0.896 203 L HN 0.061 nan 8.230 nan 0.000 0.432 204 V N 0.330 120.216 119.914 -0.047 0.000 2.287 204 V HA -0.272 3.848 4.120 -0.000 0.000 0.248 204 V C 2.612 178.603 176.094 -0.172 0.000 1.053 204 V CA 2.147 64.404 62.300 -0.072 0.000 1.027 204 V CB -1.350 30.453 31.823 -0.033 0.000 0.646 204 V HN 0.601 nan 8.190 nan 0.000 0.447 205 G N -1.424 107.225 108.800 -0.253 0.000 2.432 205 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.219 205 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.219 205 G C 1.484 175.899 174.900 -0.808 0.000 1.135 205 G CA 0.701 45.349 45.100 -0.754 0.000 0.767 205 G HN 0.559 nan 8.290 nan 0.000 0.550 206 Q N -0.283 119.314 119.800 -0.337 0.000 2.084 206 Q HA -0.054 4.286 4.340 -0.000 0.000 0.202 206 Q C 2.834 178.745 176.000 -0.148 0.000 0.978 206 Q CA 1.268 56.980 55.803 -0.152 0.000 0.844 206 Q CB -0.181 28.451 28.738 -0.176 0.000 0.898 206 Q HN 0.422 nan 8.270 nan 0.000 0.426 207 V N 0.119 119.946 119.914 -0.145 0.000 2.379 207 V HA -0.199 3.921 4.120 -0.000 0.000 0.245 207 V C 2.254 178.298 176.094 -0.082 0.000 1.044 207 V CA 1.213 63.458 62.300 -0.091 0.000 1.036 207 V CB -0.382 31.405 31.823 -0.059 0.000 0.664 207 V HN 0.166 nan 8.190 nan 0.000 0.453 208 V N 0.595 120.430 119.914 -0.131 0.000 2.324 208 V HA -0.293 3.827 4.120 -0.000 0.000 0.250 208 V C 2.596 178.668 176.094 -0.037 0.000 1.060 208 V CA 2.177 64.418 62.300 -0.099 0.000 1.042 208 V CB -1.051 30.668 31.823 -0.175 0.000 0.650 208 V HN 0.577 nan 8.190 nan 0.000 0.450 209 A N -1.282 121.479 122.820 -0.099 0.000 2.167 209 A HA 0.349 4.669 4.320 -0.000 0.000 0.214 209 A C 1.941 179.575 177.584 0.084 0.000 1.151 209 A CA 1.463 53.517 52.037 0.028 0.000 0.735 209 A CB -0.158 18.856 19.000 0.023 0.000 0.802 209 A HN 1.029 nan 8.150 nan 0.000 0.467 210 G N -2.653 106.117 108.800 -0.049 0.000 2.485 210 G HA2 0.255 4.215 3.960 -0.000 0.000 0.181 210 G HA3 0.255 4.215 3.960 -0.000 0.000 0.181 210 G C 0.403 175.138 174.900 -0.276 0.000 0.999 210 G CA -0.034 44.867 45.100 -0.333 0.000 0.721 210 G HN 1.330 nan 8.290 nan 0.000 0.486 211 A N 0.298 123.030 122.820 -0.146 0.000 2.540 211 A HA 0.563 4.883 4.320 -0.000 0.000 0.239 211 A C 0.981 178.517 177.584 -0.080 0.000 1.061 211 A CA 1.229 53.202 52.037 -0.106 0.000 0.758 211 A CB 0.241 19.197 19.000 -0.072 0.000 0.991 211 A HN 0.468 nan 8.150 nan 0.000 0.502 212 Q N 0.221 119.985 119.800 -0.060 0.000 2.247 212 Q HA 0.465 4.805 4.340 -0.000 0.000 0.211 212 Q C 0.083 176.105 176.000 0.038 0.000 0.861 212 Q CA 0.647 56.446 55.803 -0.007 0.000 0.949 212 Q CB 0.692 29.426 28.738 -0.006 0.000 1.115 212 Q HN 0.943 nan 8.270 nan 0.000 0.507 213 A N 0.449 123.281 122.820 0.020 0.000 2.601 213 A HA 0.710 5.030 4.320 -0.000 0.000 0.291 213 A C -1.981 175.617 177.584 0.024 0.000 1.075 213 A CA -0.646 51.411 52.037 0.033 0.000 0.671 213 A CB 1.089 20.184 19.000 0.157 0.000 1.277 213 A HN 0.136 nan 8.150 nan 0.000 0.417 214 L N 0.654 121.901 121.223 0.040 0.000 2.431 214 L HA 0.670 5.009 4.340 -0.000 0.000 0.266 214 L C -0.424 176.528 176.870 0.137 0.000 0.978 214 L CA -0.413 54.477 54.840 0.083 0.000 0.822 214 L CB 2.325 44.421 42.059 0.062 0.000 1.310 214 L HN 0.890 nan 8.230 nan 0.000 0.409 215 Q N 2.550 122.468 119.800 0.197 0.000 2.340 215 Q HA 0.587 4.927 4.340 -0.000 0.000 0.268 215 Q C -1.772 174.357 176.000 0.215 0.000 1.031 215 Q CA -0.762 55.130 55.803 0.148 0.000 0.804 215 Q CB 2.433 31.193 28.738 0.038 0.000 1.286 215 Q HN 0.528 nan 8.270 nan 0.000 0.448 216 L N 4.497 125.820 121.223 0.167 0.000 2.287 216 L HA 0.488 4.828 4.340 -0.000 0.000 0.287 216 L C -1.578 175.399 176.870 0.179 0.000 1.022 216 L CA -0.028 54.965 54.840 0.255 0.000 0.814 216 L CB 0.754 42.968 42.059 0.257 0.000 1.217 216 L HN 0.640 nan 8.230 nan 0.000 0.420 217 F N 3.390 123.525 119.950 0.309 0.000 2.368 217 F HA 0.270 4.797 4.527 -0.000 0.000 0.362 217 F C 0.723 176.652 175.800 0.215 0.000 1.137 217 F CA -0.374 57.816 58.000 0.317 0.000 1.161 217 F CB 0.772 39.976 39.000 0.340 0.000 1.265 217 F HN 0.480 nan 8.300 nan 0.000 0.530 218 E N 1.497 121.857 120.200 0.266 0.000 2.122 218 E HA 0.158 4.508 4.350 -0.000 0.000 0.288 218 E C 0.741 177.441 176.600 0.166 0.000 1.260 218 E CA 0.033 56.570 56.400 0.229 0.000 1.344 218 E CB -0.040 29.800 29.700 0.234 0.000 1.337 218 E HN 0.465 nan 8.360 nan 0.000 0.484 219 S N 1.045 116.873 115.700 0.213 0.000 2.447 219 S HA -0.104 4.366 4.470 -0.000 0.000 0.233 219 S C 0.633 175.452 174.600 0.365 0.000 1.006 219 S CA 0.706 59.040 58.200 0.223 0.000 0.957 219 S CB -0.181 63.211 63.200 0.320 0.000 0.773 219 S HN 0.521 nan 8.310 nan 0.000 0.507 220 H N 0.096 119.289 119.070 0.205 0.000 2.487 220 H HA 0.555 5.111 4.556 -0.000 0.000 0.290 220 H C 1.559 177.228 175.328 0.567 0.000 1.081 220 H CA -0.382 55.853 56.048 0.312 0.000 1.116 220 H CB -0.568 29.234 29.762 0.068 0.000 1.560 220 H HN 0.308 nan 8.280 nan 0.000 0.548 221 A N 0.270 123.407 122.820 0.528 0.000 1.940 221 A HA -0.119 4.201 4.320 -0.000 0.000 0.219 221 A C 2.634 180.472 177.584 0.423 0.000 1.176 221 A CA 1.686 54.042 52.037 0.532 0.000 0.631 221 A CB -0.915 18.244 19.000 0.266 0.000 0.814 221 A HN 0.483 nan 8.150 nan 0.000 0.446 222 G N -1.711 107.203 108.800 0.190 0.000 2.509 222 G HA2 -0.151 3.809 3.960 -0.000 0.000 0.218 222 G HA3 -0.151 3.809 3.960 -0.000 0.000 0.218 222 G C 1.158 176.070 174.900 0.019 0.000 1.124 222 G CA 1.051 46.200 45.100 0.082 0.000 0.776 222 G HN 0.764 nan 8.290 nan 0.000 0.547 223 H N -0.453 118.735 119.070 0.196 0.000 2.524 223 H HA 0.197 4.753 4.556 -0.000 0.000 0.282 223 H C 2.212 177.589 175.328 0.081 0.000 1.016 223 H CA 0.426 56.559 56.048 0.143 0.000 1.270 223 H CB 0.140 30.024 29.762 0.204 0.000 1.394 223 H HN 0.269 nan 8.280 nan 0.000 0.568 224 L N -0.237 121.075 121.223 0.148 0.000 2.558 224 L HA 0.142 4.482 4.340 -0.000 0.000 0.225 224 L C 1.270 178.016 176.870 -0.206 0.000 1.128 224 L CA -0.018 54.793 54.840 -0.048 0.000 0.868 224 L CB -0.461 41.569 42.059 -0.049 0.000 1.006 224 L HN 0.378 nan 8.230 nan 0.000 0.454 225 G N 1.564 110.107 108.800 -0.427 0.000 2.790 225 G HA2 -0.274 3.686 3.960 -0.000 0.000 0.994 225 G HA3 -0.274 3.686 3.960 -0.000 0.000 0.994 225 G C -1.695 172.746 174.900 -0.766 0.000 1.368 225 G CA -0.152 44.475 45.100 -0.787 0.000 0.961 225 G HN 0.127 nan 8.290 nan 0.000 0.537 226 P HA -0.103 nan 4.420 nan 0.000 0.215 226 P C 1.801 179.097 177.300 -0.006 0.000 1.153 226 P CA 1.899 64.878 63.100 -0.202 0.000 0.853 226 P CB -0.020 31.632 31.700 -0.080 0.000 0.788 227 Q N -0.708 119.067 119.800 -0.042 0.000 2.046 227 Q HA -0.077 4.263 4.340 -0.000 0.000 0.200 227 Q C 2.358 178.372 176.000 0.023 0.000 0.975 227 Q CA 1.166 56.975 55.803 0.009 0.000 0.836 227 Q CB -0.645 28.102 28.738 0.015 0.000 0.896 227 Q HN 0.233 nan 8.270 nan 0.000 0.428 228 L N -0.556 120.667 121.223 -0.000 0.000 2.093 228 L HA -0.144 4.196 4.340 -0.000 0.000 0.208 228 L C 2.236 179.126 176.870 0.032 0.000 1.085 228 L CA 0.774 55.619 54.840 0.009 0.000 0.755 228 L CB -0.319 41.649 42.059 -0.151 0.000 0.904 228 L HN 0.241 nan 8.230 nan 0.000 0.435 229 F N 1.370 121.270 119.950 -0.084 0.000 2.102 229 F HA -0.246 4.281 4.527 -0.000 0.000 0.298 229 F C 2.353 178.171 175.800 0.030 0.000 1.105 229 F CA 1.667 59.663 58.000 -0.006 0.000 1.239 229 F CB -0.133 38.996 39.000 0.215 0.000 0.991 229 F HN 0.132 nan 8.300 nan 0.000 0.474 230 N N 0.512 119.350 118.700 0.230 0.000 2.309 230 N HA -0.130 4.610 4.740 -0.000 0.000 0.182 230 N C 1.626 177.105 175.510 -0.052 0.000 1.018 230 N CA 1.172 54.288 53.050 0.109 0.000 0.876 230 N CB -0.277 38.281 38.487 0.117 0.000 0.972 230 N HN 0.408 nan 8.380 nan 0.000 0.434 231 K N -0.950 119.387 120.400 -0.104 0.000 2.098 231 K HA 0.088 4.408 4.320 -0.000 0.000 0.203 231 K C 1.000 177.375 176.600 -0.374 0.000 1.051 231 K CA 0.855 56.963 56.287 -0.298 0.000 0.957 231 K CB 0.085 32.298 32.500 -0.479 0.000 0.738 231 K HN 0.139 nan 8.250 nan 0.000 0.447 232 F N -1.152 118.781 119.950 -0.029 0.000 2.711 232 F HA 0.237 4.764 4.527 -0.000 0.000 0.296 232 F C 1.883 177.717 175.800 0.058 0.000 1.096 232 F CA -0.035 57.996 58.000 0.052 0.000 1.280 232 F CB 0.497 39.388 39.000 -0.181 0.000 1.060 232 F HN -0.072 nan 8.300 nan 0.000 0.608 233 A N -0.315 122.430 122.820 -0.125 0.000 1.938 233 A HA 0.110 4.430 4.320 -0.000 0.000 0.207 233 A C 1.764 179.172 177.584 -0.293 0.000 1.292 233 A CA 0.380 52.245 52.037 -0.287 0.000 0.700 233 A CB -0.863 17.565 19.000 -0.953 0.000 0.947 233 A HN 0.190 nan 8.150 nan 0.000 0.476 234 L N 0.892 121.819 121.223 -0.492 0.000 2.012 234 L HA -0.055 4.285 4.340 -0.000 0.000 0.210 234 L C -0.939 175.876 176.870 -0.092 0.000 1.073 234 L CA 2.477 57.206 54.840 -0.186 0.000 0.748 234 L CB -1.110 40.939 42.059 -0.016 0.000 0.891 234 L HN 0.166 nan 8.230 nan 0.000 0.431 235 P HA -0.181 nan 4.420 nan 0.000 0.216 235 P C 1.059 178.151 177.300 -0.347 0.000 1.150 235 P CA 1.743 64.640 63.100 -0.338 0.000 0.837 235 P CB -0.158 31.181 31.700 -0.601 0.000 0.786 236 Y N -1.399 118.926 120.300 0.042 0.000 2.337 236 Y HA -0.016 4.534 4.550 -0.000 0.000 0.293 236 Y C 2.346 178.315 175.900 0.115 0.000 1.123 236 Y CA 0.431 58.581 58.100 0.084 0.000 1.201 236 Y CB -1.021 37.505 38.460 0.110 0.000 1.011 236 Y HN -0.150 nan 8.280 nan 0.000 0.545 237 I N 0.165 120.866 120.570 0.218 0.000 2.163 237 I HA -0.355 3.815 4.170 -0.000 0.000 0.243 237 I C 2.339 178.644 176.117 0.314 0.000 1.085 237 I CA 1.556 63.003 61.300 0.245 0.000 1.347 237 I CB -0.348 37.743 38.000 0.152 0.000 1.044 237 I HN 0.173 nan 8.210 nan 0.000 0.408 238 R N 0.204 120.821 120.500 0.196 0.000 2.081 238 R HA -0.206 4.134 4.340 -0.000 0.000 0.235 238 R C 1.904 178.262 176.300 0.097 0.000 1.131 238 R CA 1.836 58.030 56.100 0.157 0.000 0.960 238 R CB -0.391 29.951 30.300 0.070 0.000 0.856 238 R HN 0.290 nan 8.270 nan 0.000 0.436 239 D N -0.220 120.226 120.400 0.076 0.000 2.277 239 D HA -0.057 4.583 4.640 -0.000 0.000 0.208 239 D C 1.636 177.993 176.300 0.095 0.000 0.962 239 D CA 0.380 54.418 54.000 0.063 0.000 0.865 239 D CB 0.330 41.159 40.800 0.048 0.000 0.939 239 D HN -0.076 nan 8.370 nan 0.000 0.510 240 V N 0.512 120.515 119.914 0.149 0.000 2.307 240 V HA -0.208 3.911 4.120 -0.000 0.000 0.245 240 V C 2.497 178.624 176.094 0.055 0.000 1.045 240 V CA 1.798 64.186 62.300 0.145 0.000 1.024 240 V CB -0.773 31.187 31.823 0.228 0.000 0.651 240 V HN 0.280 nan 8.190 nan 0.000 0.449 241 A N -0.344 122.463 122.820 -0.022 0.000 1.877 241 A HA -0.259 4.061 4.320 -0.000 0.000 0.216 241 A C 2.348 179.860 177.584 -0.120 0.000 1.186 241 A CA 2.191 54.079 52.037 -0.247 0.000 0.620 241 A CB -0.502 18.118 19.000 -0.634 0.000 0.822 241 A HN 0.515 nan 8.150 nan 0.000 0.443 242 K N -0.525 119.843 120.400 -0.054 0.000 2.026 242 K HA -0.198 4.122 4.320 -0.000 0.000 0.208 242 K C 2.227 178.820 176.600 -0.010 0.000 1.048 242 K CA 1.758 58.029 56.287 -0.027 0.000 0.929 242 K CB -0.210 32.286 32.500 -0.006 0.000 0.713 242 K HN 0.635 nan 8.250 nan 0.000 0.439 243 Q N -0.063 119.741 119.800 0.008 0.000 2.123 243 Q HA -0.082 4.258 4.340 -0.000 0.000 0.199 243 Q C 2.137 178.146 176.000 0.015 0.000 0.966 243 Q CA 1.099 56.913 55.803 0.020 0.000 0.845 243 Q CB 0.193 28.956 28.738 0.041 0.000 0.907 243 Q HN 0.139 nan 8.270 nan 0.000 0.439 244 V N 1.457 121.375 119.914 0.008 0.000 2.295 244 V HA -0.275 3.845 4.120 -0.000 0.000 0.246 244 V C 2.033 178.123 176.094 -0.006 0.000 1.049 244 V CA 1.824 64.125 62.300 0.002 0.000 1.024 244 V CB -0.385 31.435 31.823 -0.005 0.000 0.648 244 V HN 0.293 nan 8.190 nan 0.000 0.447 245 K N 0.244 120.634 120.400 -0.017 0.000 2.063 245 K HA -0.169 4.151 4.320 -0.000 0.000 0.208 245 K C 2.295 178.897 176.600 0.003 0.000 1.048 245 K CA 1.569 57.853 56.287 -0.004 0.000 0.928 245 K CB -0.461 32.034 32.500 -0.009 0.000 0.713 245 K HN 0.481 nan 8.250 nan 0.000 0.442 246 A N 1.688 124.509 122.820 0.001 0.000 1.877 246 A HA -0.176 4.144 4.320 -0.000 0.000 0.216 246 A C 2.074 179.661 177.584 0.005 0.000 1.186 246 A CA 1.340 53.379 52.037 0.004 0.000 0.620 246 A CB -0.389 18.614 19.000 0.006 0.000 0.822 246 A HN 0.198 nan 8.150 nan 0.000 0.443 247 R N -0.636 119.868 120.500 0.006 0.000 2.081 247 R HA -0.029 4.311 4.340 -0.000 0.000 0.235 247 R C 2.092 178.393 176.300 0.000 0.000 1.131 247 R CA 1.352 57.456 56.100 0.005 0.000 0.960 247 R CB -0.559 29.745 30.300 0.008 0.000 0.856 247 R HN 0.508 nan 8.270 nan 0.000 0.436 248 L N 0.212 121.435 121.223 -0.000 0.000 2.046 248 L HA -0.172 4.168 4.340 -0.000 0.000 0.208 248 L C 2.645 179.517 176.870 0.003 0.000 1.077 248 L CA 1.429 56.268 54.840 -0.000 0.000 0.747 248 L CB -0.353 41.709 42.059 0.006 0.000 0.896 248 L HN 0.150 nan 8.230 nan 0.000 0.432 249 R N -0.050 120.453 120.500 0.005 0.000 2.096 249 R HA -0.164 4.176 4.340 -0.000 0.000 0.235 249 R C 2.140 178.439 176.300 -0.000 0.000 1.127 249 R CA 1.342 57.443 56.100 0.002 0.000 0.968 249 R CB -0.207 30.094 30.300 0.002 0.000 0.861 249 R HN 0.441 nan 8.270 nan 0.000 0.440 250 E N 0.167 120.367 120.200 0.000 0.000 2.150 250 E HA -0.107 4.242 4.350 -0.000 0.000 0.193 250 E C 1.506 178.105 176.600 -0.001 0.000 0.985 250 E CA 0.994 57.394 56.400 -0.000 0.000 0.814 250 E CB 0.071 29.772 29.700 0.002 0.000 0.752 250 E HN 0.321 nan 8.360 nan 0.000 0.466 251 A N 0.040 122.858 122.820 -0.003 0.000 2.251 251 A HA 0.285 4.605 4.320 -0.000 0.000 0.209 251 A C 1.596 179.178 177.584 -0.004 0.000 1.187 251 A CA 0.708 52.742 52.037 -0.005 0.000 0.823 251 A CB -0.232 18.763 19.000 -0.010 0.000 0.846 251 A HN 0.309 nan 8.150 nan 0.000 0.486 252 G N -1.382 107.416 108.800 -0.003 0.000 2.141 252 G HA2 -0.197 3.763 3.960 -0.000 0.000 0.242 252 G HA3 -0.197 3.763 3.960 -0.000 0.000 0.242 252 G C 0.013 174.913 174.900 0.001 0.000 0.982 252 G CA 0.392 45.490 45.100 -0.002 0.000 0.662 252 G HN 0.430 nan 8.290 nan 0.000 0.527 253 L N 0.083 121.308 121.223 0.003 0.000 2.334 253 L HA 0.825 5.165 4.340 -0.000 0.000 0.270 253 L C 0.980 177.858 176.870 0.014 0.000 1.018 253 L CA -0.724 54.122 54.840 0.010 0.000 0.811 253 L CB 1.700 43.765 42.059 0.010 0.000 1.271 253 L HN 0.262 nan 8.230 nan 0.000 0.443 254 A N 2.090 124.924 122.820 0.023 0.000 2.322 254 A HA 0.610 4.930 4.320 -0.000 0.000 0.269 254 A C -2.282 175.338 177.584 0.060 0.000 1.094 254 A CA -1.177 50.877 52.037 0.029 0.000 0.807 254 A CB -0.274 18.743 19.000 0.029 0.000 1.047 254 A HN 0.461 nan 8.150 nan 0.000 0.487 255 P HA 0.346 nan 4.420 nan 0.000 0.272 255 P C -0.378 177.065 177.300 0.238 0.000 1.223 255 P CA -0.015 63.173 63.100 0.146 0.000 0.784 255 P CB 0.846 32.661 31.700 0.192 0.000 0.923 256 V N -2.076 117.946 119.914 0.181 0.000 3.019 256 V HA 0.644 4.764 4.120 -0.000 0.000 0.317 256 V C -2.645 173.436 176.094 -0.022 0.000 1.094 256 V CA -3.153 59.246 62.300 0.165 0.000 1.000 256 V CB 1.224 33.082 31.823 0.058 0.000 1.060 256 V HN 0.355 nan 8.190 nan 0.000 0.443 257 P HA 0.366 nan 4.420 nan 0.000 0.271 257 P C -0.865 176.260 177.300 -0.291 0.000 1.216 257 P CA 0.053 62.731 63.100 -0.703 0.000 0.776 257 P CB 0.531 31.611 31.700 -1.032 0.000 0.881 258 M N 3.027 122.498 119.600 -0.214 0.000 2.383 258 M HA 0.469 4.949 4.480 -0.000 0.000 0.325 258 M C -0.211 176.184 176.300 0.158 0.000 1.092 258 M CA -0.650 54.647 55.300 -0.005 0.000 0.961 258 M CB 1.855 34.405 32.600 -0.084 0.000 1.672 258 M HN 0.155 nan 8.290 nan 0.000 0.438 259 I N 3.179 123.886 120.570 0.228 0.000 2.433 259 I HA 0.441 4.611 4.170 -0.000 0.000 0.292 259 I C -0.924 175.263 176.117 0.116 0.000 1.001 259 I CA -0.777 60.623 61.300 0.167 0.000 1.119 259 I CB 1.940 40.011 38.000 0.117 0.000 1.289 259 I HN 0.512 nan 8.210 nan 0.000 0.438 260 I N 7.161 127.677 120.570 -0.090 0.000 2.339 260 I HA 0.418 4.588 4.170 -0.000 0.000 0.290 260 I C -1.448 174.649 176.117 -0.034 0.000 0.994 260 I CA -0.407 60.710 61.300 -0.305 0.000 1.191 260 I CB 0.988 38.481 38.000 -0.844 0.000 1.343 260 I HN 0.369 nan 8.210 nan 0.000 0.458 261 F N 8.628 128.480 119.950 -0.163 0.000 2.366 261 F HA 0.760 5.287 4.527 -0.000 0.000 0.366 261 F C -0.477 175.318 175.800 -0.009 0.000 1.096 261 F CA -1.194 56.746 58.000 -0.100 0.000 1.060 261 F CB 0.954 39.846 39.000 -0.180 0.000 1.282 261 F HN 0.549 nan 8.300 nan 0.000 0.450 262 A N 7.069 129.684 122.820 -0.342 0.000 2.412 262 A HA 0.339 4.659 4.320 -0.000 0.000 0.334 262 A C -0.061 177.171 177.584 -0.587 0.000 1.419 262 A CA -0.771 51.051 52.037 -0.359 0.000 0.930 262 A CB 0.001 18.876 19.000 -0.209 0.000 1.149 262 A HN 0.729 nan 8.150 nan 0.000 0.515 263 K N 2.394 122.331 120.400 -0.773 0.000 2.350 263 K HA 0.113 4.433 4.320 -0.000 0.000 0.279 263 K C -0.567 175.824 176.600 -0.347 0.000 1.027 263 K CA 0.057 55.957 56.287 -0.645 0.000 0.969 263 K CB 0.203 32.379 32.500 -0.540 0.000 0.954 263 K HN 0.707 nan 8.250 nan 0.000 0.474 264 D N 2.259 122.464 120.400 -0.326 0.000 2.945 264 D HA -0.150 4.489 4.640 -0.000 0.000 0.225 264 D C 0.272 176.352 176.300 -0.365 0.000 1.158 264 D CA 1.296 55.140 54.000 -0.259 0.000 0.805 264 D CB -1.134 39.546 40.800 -0.200 0.000 1.098 264 D HN 0.855 nan 8.370 nan 0.000 0.426 265 G N 0.230 108.703 108.800 -0.545 0.000 3.591 265 G HA2 0.026 3.986 3.960 -0.000 0.000 0.282 265 G HA3 0.026 3.986 3.960 -0.000 0.000 0.282 265 G C 1.319 175.594 174.900 -1.042 0.000 1.238 265 G CA 0.166 44.625 45.100 -1.069 0.000 0.993 265 G HN 0.615 nan 8.290 nan 0.000 0.542 266 H N 0.238 118.979 119.070 -0.549 0.000 2.394 266 H HA -0.249 4.307 4.556 -0.000 0.000 0.297 266 H C 1.909 177.041 175.328 -0.327 0.000 1.113 266 H CA 1.509 57.357 56.048 -0.333 0.000 1.277 266 H CB -0.656 29.006 29.762 -0.166 0.000 1.370 266 H HN 0.554 nan 8.280 nan 0.000 0.506 267 F N 0.846 120.524 119.950 -0.455 0.000 2.604 267 F HA 0.445 4.972 4.527 -0.000 0.000 0.298 267 F C 2.152 177.805 175.800 -0.245 0.000 1.131 267 F CA 0.284 58.144 58.000 -0.234 0.000 1.457 267 F CB -0.134 38.650 39.000 -0.359 0.000 1.095 267 F HN 0.261 nan 8.300 nan 0.000 0.574 268 A N 0.252 122.639 122.820 -0.721 0.000 2.431 268 A HA 0.402 4.722 4.320 -0.000 0.000 0.239 268 A C 1.772 179.174 177.584 -0.302 0.000 1.230 268 A CA -0.232 51.486 52.037 -0.531 0.000 0.928 268 A CB -0.714 17.592 19.000 -1.156 0.000 1.006 268 A HN 0.436 nan 8.150 nan 0.000 0.520 269 L N -0.416 120.662 121.223 -0.242 0.000 2.042 269 L HA -0.211 4.129 4.340 -0.000 0.000 0.210 269 L C 2.483 179.323 176.870 -0.050 0.000 1.076 269 L CA 2.011 56.773 54.840 -0.130 0.000 0.749 269 L CB -0.353 41.655 42.059 -0.086 0.000 0.893 269 L HN 0.639 nan 8.230 nan 0.000 0.432 270 E N 0.153 120.337 120.200 -0.028 0.000 2.058 270 E HA -0.239 4.111 4.350 -0.000 0.000 0.194 270 E C 2.090 178.704 176.600 0.022 0.000 0.997 270 E CA 1.266 57.670 56.400 0.006 0.000 0.801 270 E CB 0.145 29.854 29.700 0.015 0.000 0.746 270 E HN 0.385 nan 8.360 nan 0.000 0.450 271 E N 0.507 120.723 120.200 0.027 0.000 2.051 271 E HA -0.178 4.172 4.350 -0.000 0.000 0.192 271 E C 2.376 179.022 176.600 0.075 0.000 0.991 271 E CA 0.840 57.279 56.400 0.065 0.000 0.799 271 E CB -0.253 29.512 29.700 0.108 0.000 0.748 271 E HN 0.408 nan 8.360 nan 0.000 0.449 272 L N 0.609 121.860 121.223 0.047 0.000 2.127 272 L HA -0.157 4.183 4.340 -0.000 0.000 0.211 272 L C 2.447 179.359 176.870 0.069 0.000 1.089 272 L CA 1.021 55.890 54.840 0.048 0.000 0.757 272 L CB -0.476 41.566 42.059 -0.029 0.000 0.899 272 L HN 0.059 nan 8.230 nan 0.000 0.434 273 A N -0.872 121.981 122.820 0.055 0.000 2.121 273 A HA -0.152 4.168 4.320 -0.000 0.000 0.218 273 A C 1.965 179.600 177.584 0.084 0.000 1.154 273 A CA 1.041 53.120 52.037 0.069 0.000 0.679 273 A CB -0.204 18.826 19.000 0.050 0.000 0.795 273 A HN 0.527 nan 8.150 nan 0.000 0.458 274 Q N -1.349 118.502 119.800 0.086 0.000 2.219 274 Q HA 0.357 4.697 4.340 -0.000 0.000 0.209 274 Q C 1.291 177.355 176.000 0.107 0.000 0.854 274 Q CA 0.342 56.195 55.803 0.082 0.000 0.960 274 Q CB 0.436 29.211 28.738 0.062 0.000 1.116 274 Q HN 0.572 nan 8.270 nan 0.000 0.500 275 A N 0.183 123.101 122.820 0.164 0.000 2.275 275 A HA 0.410 4.730 4.320 -0.000 0.000 0.212 275 A C 1.318 179.055 177.584 0.254 0.000 1.201 275 A CA 0.628 52.799 52.037 0.224 0.000 0.843 275 A CB -0.037 19.128 19.000 0.275 0.000 0.873 275 A HN 0.379 nan 8.150 nan 0.000 0.492 276 G N -1.968 106.932 108.800 0.166 0.000 2.130 276 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.216 276 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.216 276 G C -0.334 174.481 174.900 -0.143 0.000 0.999 276 G CA 0.078 45.183 45.100 0.009 0.000 0.686 276 G HN 0.379 nan 8.290 nan 0.000 0.515 277 Y N -0.158 120.159 120.300 0.028 0.000 2.377 277 Y HA 0.589 5.139 4.550 -0.000 0.000 0.339 277 Y C 1.326 177.212 175.900 -0.023 0.000 1.011 277 Y CA -0.874 57.227 58.100 0.002 0.000 1.093 277 Y CB 1.571 40.043 38.460 0.020 0.000 1.201 277 Y HN 0.061 nan 8.280 nan 0.000 0.455 278 E N 1.127 121.336 120.200 0.015 0.000 2.150 278 E HA 0.002 4.352 4.350 -0.000 0.000 0.193 278 E C -0.433 176.151 176.600 -0.027 0.000 0.985 278 E CA 0.851 57.210 56.400 -0.068 0.000 0.814 278 E CB 0.158 29.660 29.700 -0.329 0.000 0.752 278 E HN 0.286 nan 8.360 nan 0.000 0.466 279 V N 0.521 120.443 119.914 0.013 0.000 2.588 279 V HA 0.331 4.451 4.120 -0.000 0.000 0.304 279 V C -0.666 175.469 176.094 0.069 0.000 1.042 279 V CA -0.971 61.338 62.300 0.016 0.000 0.877 279 V CB 2.281 34.084 31.823 -0.033 0.000 0.996 279 V HN -0.262 nan 8.190 nan 0.000 0.425 280 V N 3.397 123.352 119.914 0.068 0.000 2.357 280 V HA 0.679 4.799 4.120 -0.000 0.000 0.284 280 V C 0.756 176.912 176.094 0.102 0.000 1.018 280 V CA -0.294 62.046 62.300 0.067 0.000 0.841 280 V CB 1.652 33.510 31.823 0.058 0.000 0.991 280 V HN 0.991 nan 8.190 nan 0.000 0.437 281 G N 5.017 113.901 108.800 0.141 0.000 2.395 281 G HA2 0.662 4.622 3.960 -0.000 0.000 0.283 281 G HA3 0.662 4.622 3.960 -0.000 0.000 0.283 281 G C -0.882 174.221 174.900 0.339 0.000 1.178 281 G CA -0.417 44.802 45.100 0.199 0.000 0.837 281 G HN 0.580 nan 8.290 nan 0.000 0.518 282 L N 1.243 122.643 121.223 0.296 0.000 2.362 282 L HA 0.372 4.712 4.340 -0.000 0.000 0.271 282 L C -0.245 176.852 176.870 0.377 0.000 1.002 282 L CA -1.193 53.822 54.840 0.291 0.000 0.818 282 L CB 2.335 44.546 42.059 0.253 0.000 1.298 282 L HN 0.752 nan 8.230 nan 0.000 0.420 283 D N -0.690 119.874 120.400 0.274 0.000 2.398 283 D HA 0.024 4.664 4.640 -0.000 0.000 0.247 283 D C 0.676 177.058 176.300 0.137 0.000 1.227 283 D CA -0.517 53.604 54.000 0.201 0.000 0.980 283 D CB 0.548 41.269 40.800 -0.131 0.000 1.106 283 D HN 0.602 nan 8.370 nan 0.000 0.493 284 W N -0.954 120.404 121.300 0.096 0.000 2.937 284 W HA 0.073 4.733 4.660 -0.000 0.000 0.245 284 W C 1.361 177.899 176.519 0.032 0.000 1.306 284 W CA 0.514 57.893 57.345 0.057 0.000 1.470 284 W CB -0.867 28.607 29.460 0.023 0.000 1.132 284 W HN 0.406 nan 8.180 nan 0.000 0.675 285 T N -1.802 112.493 114.554 -0.432 0.000 3.081 285 T HA 0.122 4.472 4.350 -0.000 0.000 0.255 285 T C 0.439 175.045 174.700 -0.156 0.000 1.113 285 T CA 0.101 62.007 62.100 -0.323 0.000 1.082 285 T CB -0.529 68.082 68.868 -0.428 0.000 0.939 285 T HN -0.080 nan 8.240 nan 0.000 0.506 286 V N 2.523 122.375 119.914 -0.103 0.000 2.383 286 V HA 0.683 4.803 4.120 -0.000 0.000 0.275 286 V C 0.736 176.787 176.094 -0.072 0.000 1.036 286 V CA -1.407 60.847 62.300 -0.077 0.000 0.889 286 V CB 0.463 32.260 31.823 -0.042 0.000 0.985 286 V HN 0.620 nan 8.190 nan 0.000 0.459 287 A N 7.324 130.084 122.820 -0.100 0.000 2.524 287 A HA 0.382 4.702 4.320 -0.000 0.000 0.250 287 A C -1.176 176.274 177.584 -0.224 0.000 1.078 287 A CA -0.813 51.140 52.037 -0.139 0.000 0.761 287 A CB 0.018 18.945 19.000 -0.123 0.000 1.012 287 A HN 0.717 nan 8.150 nan 0.000 0.500 288 P HA -0.196 nan 4.420 nan 0.000 0.216 288 P C 1.181 178.213 177.300 -0.446 0.000 1.153 288 P CA 1.621 64.274 63.100 -0.745 0.000 0.858 288 P CB 0.130 30.862 31.700 -1.614 0.000 0.789 289 K N -0.245 119.961 120.400 -0.324 0.000 2.097 289 K HA -0.116 4.204 4.320 -0.000 0.000 0.205 289 K C 2.014 178.538 176.600 -0.125 0.000 1.050 289 K CA 1.262 57.434 56.287 -0.191 0.000 0.938 289 K CB -0.220 32.192 32.500 -0.147 0.000 0.718 289 K HN 0.177 nan 8.250 nan 0.000 0.442 290 K N 0.518 120.845 120.400 -0.121 0.000 2.097 290 K HA -0.080 4.240 4.320 -0.000 0.000 0.205 290 K C 2.232 178.795 176.600 -0.061 0.000 1.050 290 K CA 1.117 57.356 56.287 -0.081 0.000 0.938 290 K CB -0.114 32.338 32.500 -0.081 0.000 0.718 290 K HN 0.100 nan 8.250 nan 0.000 0.442 291 A N 1.638 124.416 122.820 -0.071 0.000 1.902 291 A HA -0.212 4.108 4.320 -0.000 0.000 0.217 291 A C 2.123 179.708 177.584 0.001 0.000 1.181 291 A CA 1.684 53.707 52.037 -0.023 0.000 0.623 291 A CB -0.434 18.573 19.000 0.012 0.000 0.818 291 A HN 0.129 nan 8.150 nan 0.000 0.443 292 R N 0.516 121.008 120.500 -0.014 0.000 2.091 292 R HA -0.150 4.190 4.340 -0.000 0.000 0.238 292 R C 1.938 178.243 176.300 0.009 0.000 1.136 292 R CA 2.137 58.246 56.100 0.016 0.000 0.959 292 R CB -0.504 29.796 30.300 0.001 0.000 0.856 292 R HN 0.753 nan 8.270 nan 0.000 0.437 293 E N -0.994 119.200 120.200 -0.011 0.000 2.106 293 E HA -0.196 4.153 4.350 -0.000 0.000 0.192 293 E C 2.213 178.814 176.600 0.001 0.000 0.984 293 E CA 1.326 57.722 56.400 -0.006 0.000 0.806 293 E CB -0.314 29.376 29.700 -0.016 0.000 0.750 293 E HN 0.341 nan 8.360 nan 0.000 0.458 294 C N 0.795 120.094 119.300 -0.001 0.000 2.453 294 C HA -0.088 4.372 4.460 -0.000 0.000 0.277 294 C C 2.872 177.870 174.990 0.013 0.000 1.262 294 C CA 0.976 59.995 59.018 0.003 0.000 1.718 294 C CB -0.731 27.005 27.740 -0.005 0.000 2.031 294 C HN 0.472 nan 8.230 nan 0.000 0.480 295 V N -0.814 119.113 119.914 0.022 0.000 3.354 295 V HA 0.496 4.616 4.120 -0.000 0.000 0.258 295 V C 1.118 177.235 176.094 0.038 0.000 1.159 295 V CA 0.886 63.206 62.300 0.034 0.000 1.125 295 V CB -1.394 30.459 31.823 0.049 0.000 0.774 295 V HN 0.844 nan 8.190 nan 0.000 0.464 296 G N 0.800 109.620 108.800 0.034 0.000 2.681 296 G HA2 -0.245 3.715 3.960 -0.000 0.000 0.220 296 G HA3 -0.245 3.715 3.960 -0.000 0.000 0.220 296 G C 0.226 175.152 174.900 0.043 0.000 1.353 296 G CA 0.301 45.421 45.100 0.034 0.000 0.872 296 G HN 0.360 nan 8.290 nan 0.000 0.557 297 K N -0.405 120.017 120.400 0.038 0.000 2.393 297 K HA 0.144 4.464 4.320 -0.000 0.000 0.193 297 K C 2.442 179.068 176.600 0.043 0.000 1.026 297 K CA 1.066 57.376 56.287 0.039 0.000 1.064 297 K CB 0.030 32.543 32.500 0.023 0.000 0.833 297 K HN 0.492 nan 8.250 nan 0.000 0.521 298 T N 0.904 115.487 114.554 0.047 0.000 2.781 298 T HA -0.029 4.321 4.350 -0.000 0.000 0.252 298 T C 1.042 175.780 174.700 0.064 0.000 1.039 298 T CA 0.543 62.674 62.100 0.052 0.000 1.147 298 T CB -0.102 68.797 68.868 0.052 0.000 0.865 298 T HN 0.066 nan 8.240 nan 0.000 0.423 299 V N 1.377 121.331 119.914 0.066 0.000 3.003 299 V HA 0.440 4.559 4.120 -0.000 0.000 0.305 299 V C 0.101 176.239 176.094 0.072 0.000 1.078 299 V CA -0.758 61.582 62.300 0.067 0.000 1.083 299 V CB 0.598 32.464 31.823 0.072 0.000 1.039 299 V HN 0.143 nan 8.190 nan 0.000 0.481 300 T N 4.752 119.337 114.554 0.052 0.000 2.845 300 T HA 0.568 4.918 4.350 -0.000 0.000 0.288 300 T C -0.128 174.618 174.700 0.076 0.000 0.980 300 T CA -0.206 61.927 62.100 0.054 0.000 1.071 300 T CB 0.726 69.584 68.868 -0.017 0.000 0.941 300 T HN 0.595 nan 8.240 nan 0.000 0.487 301 L N 2.996 124.298 121.223 0.132 0.000 2.343 301 L HA 0.555 4.895 4.340 -0.000 0.000 0.275 301 L C 0.214 177.139 176.870 0.091 0.000 1.056 301 L CA -0.658 54.282 54.840 0.165 0.000 0.804 301 L CB 1.476 43.723 42.059 0.314 0.000 1.203 301 L HN 0.556 nan 8.230 nan 0.000 0.440 302 Q N 1.573 121.406 119.800 0.056 0.000 2.356 302 Q HA 0.689 5.029 4.340 -0.000 0.000 0.270 302 Q C -0.516 175.467 176.000 -0.028 0.000 1.058 302 Q CA -0.096 55.675 55.803 -0.052 0.000 0.802 302 Q CB 2.470 31.199 28.738 -0.015 0.000 1.303 302 Q HN 0.820 nan 8.270 nan 0.000 0.444 303 G N 2.394 111.132 108.800 -0.102 0.000 2.278 303 G HA2 -0.059 3.901 3.960 -0.000 0.000 0.265 303 G HA3 -0.059 3.901 3.960 -0.000 0.000 0.265 303 G C -1.238 173.745 174.900 0.138 0.000 1.329 303 G CA -0.049 45.059 45.100 0.014 0.000 1.017 303 G HN 0.856 nan 8.290 nan 0.000 0.472 304 N N -0.565 118.336 118.700 0.335 0.000 2.475 304 N HA 0.296 5.036 4.740 -0.000 0.000 0.272 304 N C -0.154 175.505 175.510 0.247 0.000 1.482 304 N CA -0.242 52.984 53.050 0.292 0.000 0.863 304 N CB 0.342 39.071 38.487 0.403 0.000 1.400 304 N HN 0.802 nan 8.380 nan 0.000 0.489 305 L N 1.810 123.114 121.223 0.136 0.000 2.499 305 L HA 0.163 4.503 4.340 -0.000 0.000 0.273 305 L C 0.339 177.140 176.870 -0.115 0.000 1.195 305 L CA 0.217 55.069 54.840 0.020 0.000 0.882 305 L CB 0.187 42.197 42.059 -0.081 0.000 1.133 305 L HN 0.177 nan 8.230 nan 0.000 0.483 306 D N 7.297 127.611 120.400 -0.144 0.000 2.662 306 D HA -0.058 4.582 4.640 -0.000 0.000 0.237 306 D C -1.641 174.256 176.300 -0.672 0.000 1.154 306 D CA -1.064 52.577 54.000 -0.599 0.000 0.861 306 D CB 1.021 41.473 40.800 -0.580 0.000 1.146 306 D HN 0.384 nan 8.370 nan 0.000 0.518 307 P HA -0.135 nan 4.420 nan 0.000 0.216 307 P C 1.402 178.129 177.300 -0.955 0.000 1.150 307 P CA 0.736 63.306 63.100 -0.883 0.000 0.837 307 P CB 0.000 31.090 31.700 -1.016 0.000 0.786 308 C N -0.446 118.310 119.300 -0.906 0.000 2.419 308 C HA 0.054 4.514 4.460 -0.000 0.000 0.283 308 C C 2.921 177.629 174.990 -0.470 0.000 1.373 308 C CA 0.759 59.348 59.018 -0.714 0.000 1.781 308 C CB -1.953 25.615 27.740 -0.287 0.000 1.886 308 C HN 0.249 nan 8.230 nan 0.000 0.520 309 A N 0.696 123.268 122.820 -0.414 0.000 2.024 309 A HA -0.118 4.201 4.320 -0.000 0.000 0.220 309 A C 1.967 179.403 177.584 -0.246 0.000 1.164 309 A CA 1.301 53.185 52.037 -0.254 0.000 0.643 309 A CB -0.555 18.311 19.000 -0.223 0.000 0.806 309 A HN 0.678 nan 8.150 nan 0.000 0.451 310 L N -1.881 119.101 121.223 -0.402 0.000 2.549 310 L HA -0.140 4.199 4.340 -0.000 0.000 0.229 310 L C 1.873 178.713 176.870 -0.051 0.000 1.158 310 L CA 0.711 55.377 54.840 -0.290 0.000 0.842 310 L CB -0.577 41.228 42.059 -0.425 0.000 0.952 310 L HN 0.542 nan 8.230 nan 0.000 0.452 311 Y N 0.247 120.527 120.300 -0.033 0.000 2.516 311 Y HA 0.110 4.660 4.550 -0.000 0.000 0.291 311 Y C 1.874 177.819 175.900 0.076 0.000 1.131 311 Y CA -0.471 57.653 58.100 0.040 0.000 1.281 311 Y CB -0.033 38.412 38.460 -0.025 0.000 1.013 311 Y HN 0.162 nan 8.280 nan 0.000 0.554 312 A N 0.649 123.550 122.820 0.135 0.000 2.310 312 A HA 0.286 4.606 4.320 -0.000 0.000 0.260 312 A C 0.640 178.191 177.584 -0.055 0.000 1.112 312 A CA -0.118 51.944 52.037 0.042 0.000 0.804 312 A CB -0.095 18.896 19.000 -0.015 0.000 1.081 312 A HN 0.298 nan 8.150 nan 0.000 0.499 313 S N -0.692 114.964 115.700 -0.073 0.000 2.589 313 S HA 0.096 4.566 4.470 -0.000 0.000 0.265 313 S C 0.647 175.069 174.600 -0.297 0.000 1.342 313 S CA 0.453 58.559 58.200 -0.156 0.000 1.005 313 S CB 0.383 63.552 63.200 -0.051 0.000 0.909 313 S HN 0.676 nan 8.310 nan 0.000 0.555 314 E N 0.708 120.700 120.200 -0.347 0.000 2.085 314 E HA -0.238 4.112 4.350 -0.000 0.000 0.194 314 E C 1.956 178.490 176.600 -0.111 0.000 0.994 314 E CA 1.515 57.762 56.400 -0.256 0.000 0.801 314 E CB -0.181 29.433 29.700 -0.143 0.000 0.743 314 E HN 0.926 nan 8.360 nan 0.000 0.453 315 E N 1.254 121.414 120.200 -0.067 0.000 2.077 315 E HA -0.249 4.101 4.350 -0.000 0.000 0.193 315 E C 1.786 178.373 176.600 -0.022 0.000 0.989 315 E CA 1.301 57.686 56.400 -0.025 0.000 0.800 315 E CB 0.086 29.779 29.700 -0.012 0.000 0.746 315 E HN 0.242 nan 8.360 nan 0.000 0.452 316 E N 0.340 120.515 120.200 -0.042 0.000 2.077 316 E HA -0.168 4.182 4.350 -0.000 0.000 0.193 316 E C 2.164 178.743 176.600 -0.034 0.000 0.989 316 E CA 1.354 57.733 56.400 -0.034 0.000 0.800 316 E CB -0.086 29.593 29.700 -0.036 0.000 0.746 316 E HN 0.380 nan 8.360 nan 0.000 0.452 317 I N 0.657 121.193 120.570 -0.058 0.000 2.226 317 I HA -0.211 3.959 4.170 -0.000 0.000 0.245 317 I C 2.480 178.610 176.117 0.023 0.000 1.100 317 I CA 1.180 62.461 61.300 -0.032 0.000 1.374 317 I CB -0.508 37.453 38.000 -0.066 0.000 1.057 317 I HN 0.196 nan 8.210 nan 0.000 0.413 318 G N 0.031 108.850 108.800 0.031 0.000 2.422 318 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 318 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 318 G C 1.571 176.499 174.900 0.047 0.000 1.146 318 G CA 0.512 45.675 45.100 0.105 0.000 0.769 318 G HN 0.414 nan 8.290 nan 0.000 0.547 319 Q N -0.324 119.476 119.800 -0.001 0.000 2.083 319 Q HA 0.151 4.491 4.340 -0.000 0.000 0.198 319 Q C 2.632 178.590 176.000 -0.070 0.000 0.969 319 Q CA 0.609 56.378 55.803 -0.057 0.000 0.838 319 Q CB -0.211 28.510 28.738 -0.028 0.000 0.900 319 Q HN 0.414 nan 8.270 nan 0.000 0.436 320 L N -0.093 121.113 121.223 -0.030 0.000 2.046 320 L HA -0.183 4.157 4.340 -0.000 0.000 0.208 320 L C 2.297 179.172 176.870 0.008 0.000 1.077 320 L CA 0.741 55.574 54.840 -0.012 0.000 0.747 320 L CB -0.442 41.614 42.059 -0.004 0.000 0.896 320 L HN 0.110 nan 8.230 nan 0.000 0.432 321 V N 0.111 120.040 119.914 0.025 0.000 2.295 321 V HA -0.321 3.799 4.120 -0.000 0.000 0.246 321 V C 2.584 178.642 176.094 -0.059 0.000 1.049 321 V CA 1.972 64.304 62.300 0.052 0.000 1.024 321 V CB -0.546 31.328 31.823 0.085 0.000 0.648 321 V HN 0.459 nan 8.190 nan 0.000 0.447 322 K N -0.081 120.145 120.400 -0.289 0.000 2.032 322 K HA -0.316 4.004 4.320 -0.000 0.000 0.209 322 K C 2.275 178.770 176.600 -0.175 0.000 1.048 322 K CA 2.209 58.225 56.287 -0.452 0.000 0.927 322 K CB -0.146 31.914 32.500 -0.733 0.000 0.712 322 K HN 0.418 nan 8.250 nan 0.000 0.441 323 Q N 0.915 120.646 119.800 -0.115 0.000 2.084 323 Q HA -0.158 4.182 4.340 -0.000 0.000 0.202 323 Q C 2.048 178.029 176.000 -0.032 0.000 0.978 323 Q CA 2.007 57.771 55.803 -0.066 0.000 0.844 323 Q CB -0.229 28.478 28.738 -0.051 0.000 0.898 323 Q HN 0.438 nan 8.270 nan 0.000 0.426 324 M N -0.866 118.747 119.600 0.021 0.000 2.080 324 M HA -0.197 4.283 4.480 -0.000 0.000 0.260 324 M C 1.296 177.681 176.300 0.141 0.000 1.068 324 M CA 1.505 56.868 55.300 0.105 0.000 1.109 324 M CB -0.083 32.654 32.600 0.229 0.000 1.342 324 M HN 0.366 nan 8.290 nan 0.000 0.405 325 L N 0.644 121.943 121.223 0.126 0.000 2.141 325 L HA -0.200 4.140 4.340 -0.000 0.000 0.209 325 L C 1.957 178.846 176.870 0.033 0.000 1.094 325 L CA 1.620 56.533 54.840 0.122 0.000 0.763 325 L CB -1.064 41.083 42.059 0.147 0.000 0.908 325 L HN 0.301 nan 8.230 nan 0.000 0.437 326 D N -0.297 120.099 120.400 -0.008 0.000 2.123 326 D HA -0.182 4.458 4.640 -0.000 0.000 0.196 326 D C 1.733 177.994 176.300 -0.065 0.000 0.992 326 D CA 1.254 55.234 54.000 -0.034 0.000 0.833 326 D CB -0.067 40.707 40.800 -0.045 0.000 0.954 326 D HN 0.299 nan 8.370 nan 0.000 0.455 327 D N -0.595 119.739 120.400 -0.110 0.000 2.117 327 D HA -0.084 4.556 4.640 -0.000 0.000 0.198 327 D C 1.947 178.084 176.300 -0.273 0.000 0.982 327 D CA 0.543 54.418 54.000 -0.209 0.000 0.828 327 D CB -0.419 40.200 40.800 -0.301 0.000 0.967 327 D HN 0.245 nan 8.370 nan 0.000 0.464 328 F N 0.440 120.219 119.950 -0.285 0.000 2.206 328 F HA 0.156 4.683 4.527 -0.000 0.000 0.298 328 F C 1.768 177.405 175.800 -0.271 0.000 1.090 328 F CA 0.874 58.620 58.000 -0.424 0.000 1.323 328 F CB -0.104 38.231 39.000 -1.108 0.000 1.028 328 F HN 0.028 nan 8.300 nan 0.000 0.492 329 G N 0.295 109.080 108.800 -0.025 0.000 2.829 329 G HA2 -0.208 3.752 3.960 -0.000 0.000 0.628 329 G HA3 -0.208 3.752 3.960 -0.000 0.000 0.628 329 G C -2.080 172.794 174.900 -0.044 0.000 1.412 329 G CA -0.390 44.690 45.100 -0.033 0.000 0.864 329 G HN 0.080 nan 8.290 nan 0.000 0.544 330 P HA 0.039 nan 4.420 nan 0.000 0.231 330 P C 0.351 177.550 177.300 -0.169 0.000 1.168 330 P CA 1.003 63.984 63.100 -0.198 0.000 0.779 330 P CB 0.086 31.598 31.700 -0.312 0.000 0.844 331 H N 0.564 119.699 119.070 0.108 0.000 2.472 331 H HA 0.347 4.903 4.556 -0.000 0.000 0.335 331 H C 0.615 176.017 175.328 0.123 0.000 1.136 331 H CA -0.553 55.551 56.048 0.093 0.000 1.264 331 H CB 0.756 30.559 29.762 0.069 0.000 1.486 331 H HN -0.069 nan 8.280 nan 0.000 0.517 332 R N 0.214 120.845 120.500 0.220 0.000 3.336 332 R HA -0.245 4.095 4.340 -0.000 0.000 0.260 332 R C -1.303 175.114 176.300 0.196 0.000 1.032 332 R CA 0.541 56.738 56.100 0.161 0.000 0.693 332 R CB -1.719 28.674 30.300 0.155 0.000 1.134 332 R HN 0.533 nan 8.270 nan 0.000 0.433 333 Y N -0.123 120.162 120.300 -0.025 0.000 2.441 333 Y HA 0.557 5.107 4.550 -0.000 0.000 0.334 333 Y C -1.047 174.776 175.900 -0.129 0.000 1.061 333 Y CA -1.549 56.481 58.100 -0.116 0.000 1.032 333 Y CB 1.338 39.720 38.460 -0.131 0.000 1.266 333 Y HN 0.103 nan 8.280 nan 0.000 0.441 334 I N 5.729 125.938 120.570 -0.601 0.000 2.418 334 I HA 0.668 4.838 4.170 -0.000 0.000 0.287 334 I C -0.110 175.461 176.117 -0.911 0.000 1.008 334 I CA -1.004 59.959 61.300 -0.561 0.000 1.104 334 I CB 1.726 39.647 38.000 -0.131 0.000 1.264 334 I HN 0.833 nan 8.210 nan 0.000 0.438 335 A N 5.834 128.124 122.820 -0.883 0.000 2.371 335 A HA 0.597 4.917 4.320 -0.000 0.000 0.257 335 A C -0.202 177.220 177.584 -0.270 0.000 1.089 335 A CA 0.043 51.712 52.037 -0.614 0.000 0.794 335 A CB 0.566 19.323 19.000 -0.405 0.000 1.029 335 A HN 0.793 nan 8.150 nan 0.000 0.488 336 N N 0.072 118.694 118.700 -0.131 0.000 3.179 336 N HA 0.353 5.093 4.740 -0.000 0.000 0.250 336 N C -1.127 174.316 175.510 -0.111 0.000 1.507 336 N CA -0.563 52.358 53.050 -0.214 0.000 0.883 336 N CB 0.577 38.709 38.487 -0.593 0.000 1.435 336 N HN 0.489 nan 8.380 nan 0.000 0.532 337 L N -0.045 120.971 121.223 -0.346 0.000 2.479 337 L HA 0.409 4.749 4.340 -0.000 0.000 0.249 337 L C 1.853 178.633 176.870 -0.150 0.000 1.178 337 L CA -0.209 54.423 54.840 -0.346 0.000 0.811 337 L CB 0.373 42.127 42.059 -0.508 0.000 1.187 337 L HN 0.811 nan 8.230 nan 0.000 0.480 338 G N -2.048 106.778 108.800 0.043 0.000 2.920 338 G HA2 0.081 4.041 3.960 -0.000 0.000 0.208 338 G HA3 0.081 4.041 3.960 -0.000 0.000 0.208 338 G C 0.016 175.239 174.900 0.539 0.000 1.159 338 G CA 0.445 45.754 45.100 0.349 0.000 0.784 338 G HN 0.633 nan 8.290 nan 0.000 0.535 339 H N -2.436 116.721 119.070 0.145 0.000 2.849 339 H HA 0.459 5.015 4.556 -0.000 0.000 0.271 339 H C 0.333 175.651 175.328 -0.017 0.000 1.461 339 H CA -0.333 55.846 56.048 0.218 0.000 1.146 339 H CB 0.470 30.538 29.762 0.511 0.000 1.834 339 H HN 0.148 nan 8.280 nan 0.000 0.555 340 G N 0.857 109.413 108.800 -0.406 0.000 2.569 340 G HA2 0.397 4.357 3.960 -0.000 0.000 0.249 340 G HA3 0.397 4.357 3.960 -0.000 0.000 0.249 340 G C -0.307 174.454 174.900 -0.233 0.000 1.216 340 G CA -0.552 44.360 45.100 -0.314 0.000 0.845 340 G HN 0.592 nan 8.290 nan 0.000 0.568 341 L N 0.560 121.603 121.223 -0.299 0.000 2.514 341 L HA 0.063 4.403 4.340 -0.000 0.000 0.280 341 L C 0.129 176.971 176.870 -0.046 0.000 1.223 341 L CA 0.229 54.849 54.840 -0.367 0.000 0.864 341 L CB 0.195 41.899 42.059 -0.592 0.000 1.118 341 L HN 0.464 nan 8.230 nan 0.000 0.494 342 Y N 2.784 122.934 120.300 -0.250 0.000 2.376 342 Y HA 0.166 4.716 4.550 -0.000 0.000 0.325 342 Y C -1.251 174.630 175.900 -0.032 0.000 1.199 342 Y CA -2.237 55.795 58.100 -0.112 0.000 1.206 342 Y CB 0.932 39.349 38.460 -0.072 0.000 1.229 342 Y HN 0.505 nan 8.280 nan 0.000 0.480 343 P HA -0.170 nan 4.420 nan 0.000 0.222 343 P C 0.465 177.858 177.300 0.156 0.000 1.147 343 P CA 1.521 64.699 63.100 0.131 0.000 0.790 343 P CB 0.074 31.816 31.700 0.070 0.000 0.780 344 D N -2.178 118.334 120.400 0.186 0.000 2.325 344 D HA 0.013 4.652 4.640 -0.000 0.000 0.225 344 D C 0.502 176.933 176.300 0.219 0.000 1.096 344 D CA 0.058 54.169 54.000 0.184 0.000 0.844 344 D CB -0.616 40.285 40.800 0.167 0.000 0.925 344 D HN 0.152 nan 8.370 nan 0.000 0.513 345 M N 0.399 120.105 119.600 0.176 0.000 2.291 345 M HA 0.149 4.629 4.480 -0.000 0.000 0.324 345 M C 0.038 176.394 176.300 0.094 0.000 1.148 345 M CA -0.534 54.809 55.300 0.072 0.000 1.104 345 M CB 1.083 33.572 32.600 -0.185 0.000 1.483 345 M HN -0.218 nan 8.290 nan 0.000 0.467 346 D N 2.139 122.532 120.400 -0.011 0.000 2.313 346 D HA 0.232 4.872 4.640 -0.000 0.000 0.239 346 D C -1.963 174.397 176.300 0.100 0.000 1.142 346 D CA -2.070 51.907 54.000 -0.039 0.000 0.847 346 D CB 1.460 42.035 40.800 -0.376 0.000 1.082 346 D HN 0.157 nan 8.370 nan 0.000 0.480 347 P HA -0.160 nan 4.420 nan 0.000 0.217 347 P C 0.927 178.462 177.300 0.393 0.000 1.148 347 P CA 1.011 64.386 63.100 0.459 0.000 0.834 347 P CB 0.396 32.317 31.700 0.368 0.000 0.783 348 E N -1.436 118.914 120.200 0.250 0.000 2.150 348 E HA -0.183 4.167 4.350 -0.000 0.000 0.193 348 E C 1.990 178.763 176.600 0.289 0.000 0.985 348 E CA 1.138 57.700 56.400 0.269 0.000 0.814 348 E CB -0.862 28.968 29.700 0.217 0.000 0.752 348 E HN 0.586 nan 8.360 nan 0.000 0.466 349 H N -0.272 118.826 119.070 0.046 0.000 2.428 349 H HA 0.003 4.559 4.556 -0.000 0.000 0.296 349 H C 2.173 177.439 175.328 -0.104 0.000 1.062 349 H CA 0.632 56.666 56.048 -0.023 0.000 1.350 349 H CB 0.484 30.221 29.762 -0.043 0.000 1.403 349 H HN -0.043 nan 8.280 nan 0.000 0.533 350 V N 0.493 120.368 119.914 -0.065 0.000 2.343 350 V HA -0.195 3.925 4.120 -0.000 0.000 0.247 350 V C 2.726 178.530 176.094 -0.484 0.000 1.051 350 V CA 1.815 63.908 62.300 -0.345 0.000 1.036 350 V CB -0.933 30.569 31.823 -0.535 0.000 0.654 350 V HN 0.573 nan 8.190 nan 0.000 0.451 351 G N -0.172 108.371 108.800 -0.429 0.000 2.440 351 G HA2 -0.251 3.709 3.960 -0.000 0.000 0.218 351 G HA3 -0.251 3.709 3.960 -0.000 0.000 0.218 351 G C 1.766 176.646 174.900 -0.033 0.000 1.154 351 G CA 1.125 46.148 45.100 -0.128 0.000 0.767 351 G HN 0.620 nan 8.290 nan 0.000 0.552 352 A N 0.250 123.076 122.820 0.011 0.000 1.933 352 A HA 0.062 4.382 4.320 -0.000 0.000 0.218 352 A C 2.150 179.729 177.584 -0.010 0.000 1.175 352 A CA 1.637 53.676 52.037 0.004 0.000 0.628 352 A CB -0.505 18.488 19.000 -0.011 0.000 0.814 352 A HN 0.443 nan 8.150 nan 0.000 0.444 353 F N 0.753 120.602 119.950 -0.169 0.000 2.113 353 F HA -0.133 4.394 4.527 -0.000 0.000 0.297 353 F C 2.206 177.889 175.800 -0.194 0.000 1.103 353 F CA 1.920 59.812 58.000 -0.181 0.000 1.248 353 F CB -0.557 38.299 39.000 -0.240 0.000 0.999 353 F HN 0.019 nan 8.300 nan 0.000 0.475 354 V N 0.865 120.552 119.914 -0.378 0.000 2.295 354 V HA -0.312 3.808 4.120 -0.000 0.000 0.246 354 V C 2.182 177.984 176.094 -0.486 0.000 1.049 354 V CA 2.321 64.313 62.300 -0.514 0.000 1.024 354 V CB -0.778 30.879 31.823 -0.276 0.000 0.648 354 V HN 0.295 nan 8.190 nan 0.000 0.447 355 D N 0.348 120.615 120.400 -0.221 0.000 2.144 355 D HA -0.120 4.520 4.640 -0.000 0.000 0.199 355 D C 2.191 178.411 176.300 -0.132 0.000 0.984 355 D CA 1.649 55.586 54.000 -0.105 0.000 0.834 355 D CB -0.332 40.452 40.800 -0.027 0.000 0.955 355 D HN 0.456 nan 8.370 nan 0.000 0.465 356 A N 0.547 123.279 122.820 -0.147 0.000 1.930 356 A HA -0.097 4.223 4.320 -0.000 0.000 0.217 356 A C 2.517 180.076 177.584 -0.040 0.000 1.175 356 A CA 0.909 52.911 52.037 -0.057 0.000 0.627 356 A CB -0.618 18.422 19.000 0.067 0.000 0.815 356 A HN 0.134 nan 8.150 nan 0.000 0.443 357 V N -0.295 119.467 119.914 -0.253 0.000 2.295 357 V HA -0.313 3.806 4.120 -0.000 0.000 0.246 357 V C 2.297 178.381 176.094 -0.015 0.000 1.049 357 V CA 2.382 64.558 62.300 -0.205 0.000 1.024 357 V CB -1.141 30.400 31.823 -0.470 0.000 0.648 357 V HN 0.743 nan 8.190 nan 0.000 0.447 358 H N -0.182 118.841 119.070 -0.078 0.000 2.293 358 H HA -0.192 4.363 4.556 -0.000 0.000 0.300 358 H C 2.446 177.730 175.328 -0.073 0.000 1.082 358 H CA 1.804 57.813 56.048 -0.066 0.000 1.308 358 H CB 0.037 29.705 29.762 -0.156 0.000 1.375 358 H HN 0.328 nan 8.280 nan 0.000 0.495 359 K N 0.291 120.695 120.400 0.006 0.000 1.991 359 K HA -0.201 4.119 4.320 -0.000 0.000 0.212 359 K C 1.926 178.456 176.600 -0.118 0.000 1.049 359 K CA 1.693 57.909 56.287 -0.119 0.000 0.932 359 K CB -0.039 32.306 32.500 -0.258 0.000 0.717 359 K HN 0.423 nan 8.250 nan 0.000 0.441 360 H N 0.019 119.103 119.070 0.024 0.000 2.428 360 H HA -0.039 4.517 4.556 -0.000 0.000 0.296 360 H C 2.413 177.772 175.328 0.052 0.000 1.062 360 H CA 1.572 57.638 56.048 0.030 0.000 1.350 360 H CB -0.031 29.744 29.762 0.021 0.000 1.403 360 H HN 0.436 nan 8.280 nan 0.000 0.533 361 S N 0.766 116.576 115.700 0.183 0.000 2.406 361 S HA -0.070 4.400 4.470 -0.000 0.000 0.228 361 S C 2.104 176.785 174.600 0.136 0.000 1.020 361 S CA 0.409 58.709 58.200 0.166 0.000 0.965 361 S CB -0.031 63.287 63.200 0.196 0.000 0.798 361 S HN 0.289 nan 8.310 nan 0.000 0.488 362 R N 0.796 121.367 120.500 0.119 0.000 2.073 362 R HA 0.219 4.559 4.340 -0.000 0.000 0.229 362 R C 2.281 178.618 176.300 0.062 0.000 1.120 362 R CA 1.299 57.451 56.100 0.086 0.000 0.967 362 R CB -0.597 29.732 30.300 0.047 0.000 0.862 362 R HN 0.389 nan 8.270 nan 0.000 0.436 363 L N 0.469 121.727 121.223 0.058 0.000 2.191 363 L HA -0.167 4.173 4.340 -0.000 0.000 0.212 363 L C 2.157 179.065 176.870 0.064 0.000 1.103 363 L CA 0.527 55.401 54.840 0.057 0.000 0.769 363 L CB -0.253 41.848 42.059 0.071 0.000 0.908 363 L HN 0.181 nan 8.230 nan 0.000 0.438 364 L N -0.489 120.779 121.223 0.075 0.000 2.376 364 L HA -0.096 4.244 4.340 -0.000 0.000 0.219 364 L C 2.417 179.307 176.870 0.033 0.000 1.133 364 L CA 1.517 56.390 54.840 0.054 0.000 0.816 364 L CB -0.357 41.738 42.059 0.060 0.000 0.933 364 L HN 0.075 nan 8.230 nan 0.000 0.449 365 R N -2.102 118.422 120.500 0.040 0.000 2.175 365 R HA 0.183 4.523 4.340 -0.000 0.000 0.202 365 R C 0.766 177.087 176.300 0.035 0.000 1.018 365 R CA 0.201 56.321 56.100 0.033 0.000 1.029 365 R CB 0.316 30.642 30.300 0.045 0.000 0.959 365 R HN 0.259 nan 8.270 nan 0.000 0.480 366 Q N 0.000 119.822 119.800 0.036 0.000 2.315 366 Q HA 0.000 4.340 4.340 -0.000 0.000 0.214 366 Q CA 0.000 55.822 55.803 0.032 0.000 1.022 366 Q CB 0.000 28.757 28.738 0.032 0.000 1.108 366 Q HN 0.000 nan 8.270 nan 0.000 0.481