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 1t4d_1_C DATA FIRST_RESID 1 DATA SEQUENCE MQNVGFIGWR GMVGSVLMQR MVEERDFDAI RPVFFSTSQL GQAAPSFGGT DATA SEQUENCE TGTLQDAFDL EALKALDIIV TCQGGDYTNE IYPKLRESGW QGYWIDAASS DATA SEQUENCE LRMKDDAIII LDPVNQDVIT DGLNNGIRTF VGGNCTVSLM LMSLGGLFAN DATA SEQUENCE DLVDWVSVAT YQAASGGGAR HMRELLTQMG HLYGHVADEL ATPSSAILDI DATA SEQUENCE ERKVTTLTRS GELPVDNFGV PLAGSLIPWI DKQLDNGQSR EEWKGQAETN DATA SEQUENCE KILNTSSVIP VDGLCVRVGA LRCHSQAFTI KLKKDVSIPT VEELLAAHNP DATA SEQUENCE WAKVVPNDRE ITMRELTPAA VTGTLTTPVG RLRKLNMGPE FLSAFTVGDQ DATA SEQUENCE LLWGAAEPLR RMLRQLA 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 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.322 176.300 0.037 0.000 1.140 1 M CA 0.000 55.319 55.300 0.032 0.000 0.988 1 M CB 0.000 32.624 32.600 0.041 0.000 1.302 2 Q N 1.466 121.287 119.800 0.036 0.000 2.299 2 Q HA 0.378 4.718 4.340 -0.000 0.000 0.246 2 Q C -0.778 175.253 176.000 0.052 0.000 0.935 2 Q CA 0.058 55.887 55.803 0.044 0.000 0.887 2 Q CB 0.568 29.325 28.738 0.031 0.000 1.223 2 Q HN 0.583 nan 8.270 nan 0.000 0.439 3 N N 0.486 119.225 118.700 0.065 0.000 2.437 3 N HA 0.245 4.985 4.740 -0.000 0.000 0.243 3 N C -1.051 174.488 175.510 0.049 0.000 1.041 3 N CA -0.240 52.851 53.050 0.068 0.000 0.940 3 N CB 0.992 39.533 38.487 0.091 0.000 1.133 3 N HN 0.144 nan 8.380 nan 0.000 0.506 4 V N 1.597 121.509 119.914 -0.003 0.000 2.347 4 V HA 0.525 4.645 4.120 -0.000 0.000 0.280 4 V C 0.785 176.709 176.094 -0.284 0.000 1.021 4 V CA -0.871 61.337 62.300 -0.154 0.000 0.847 4 V CB 1.406 33.103 31.823 -0.209 0.000 0.990 4 V HN 0.682 nan 8.190 nan 0.000 0.444 5 G N 3.594 112.211 108.800 -0.305 0.000 2.356 5 G HA2 0.617 4.577 3.960 -0.000 0.000 0.298 5 G HA3 0.617 4.577 3.960 -0.000 0.000 0.298 5 G C -1.127 173.445 174.900 -0.547 0.000 1.145 5 G CA -0.231 44.726 45.100 -0.238 0.000 0.850 5 G HN 0.439 nan 8.290 nan 0.000 0.487 6 F N 1.487 121.403 119.950 -0.057 0.000 2.427 6 F HA 0.498 5.025 4.527 -0.000 0.000 0.348 6 F C -0.087 175.838 175.800 0.208 0.000 1.125 6 F CA -0.657 57.341 58.000 -0.003 0.000 0.989 6 F CB 2.011 40.956 39.000 -0.093 0.000 1.165 6 F HN 0.138 nan 8.300 nan 0.000 0.442 7 I N 2.008 122.703 120.570 0.208 0.000 2.433 7 I HA 0.603 4.773 4.170 -0.000 0.000 0.292 7 I C 0.675 176.840 176.117 0.079 0.000 1.001 7 I CA -0.636 60.711 61.300 0.078 0.000 1.119 7 I CB 1.635 39.430 38.000 -0.341 0.000 1.289 7 I HN 0.744 nan 8.210 nan 0.000 0.438 8 G N 4.610 113.427 108.800 0.028 0.000 2.143 8 G HA2 -0.224 3.735 3.960 -0.000 0.000 0.248 8 G HA3 -0.224 3.735 3.960 -0.000 0.000 0.248 8 G C 0.633 175.545 174.900 0.019 0.000 0.991 8 G CA 0.476 45.537 45.100 -0.065 0.000 0.689 8 G HN 0.908 nan 8.290 nan 0.000 0.522 9 W N -0.076 121.295 121.300 0.118 0.000 2.848 9 W HA 0.135 4.795 4.660 -0.000 0.000 0.241 9 W C 1.315 177.902 176.519 0.113 0.000 1.289 9 W CA 0.645 58.088 57.345 0.162 0.000 1.396 9 W CB -0.668 28.979 29.460 0.311 0.000 1.138 9 W HN 0.403 nan 8.180 nan 0.000 0.677 10 R N 0.551 120.758 120.500 -0.487 0.000 2.237 10 R HA 0.162 4.502 4.340 -0.000 0.000 0.195 10 R C 1.797 177.980 176.300 -0.194 0.000 0.956 10 R CA 0.497 56.324 56.100 -0.454 0.000 1.029 10 R CB -0.360 29.538 30.300 -0.670 0.000 0.972 10 R HN 0.035 nan 8.270 nan 0.000 0.493 11 G N 0.711 109.428 108.800 -0.139 0.000 2.699 11 G HA2 -0.090 3.870 3.960 -0.000 0.000 0.246 11 G HA3 -0.090 3.870 3.960 -0.000 0.000 0.246 11 G C 0.692 175.570 174.900 -0.035 0.000 1.219 11 G CA -0.412 44.645 45.100 -0.071 0.000 0.866 11 G HN 0.104 nan 8.290 nan 0.000 0.572 12 M N 0.452 120.039 119.600 -0.021 0.000 2.080 12 M HA -0.144 4.336 4.480 -0.000 0.000 0.260 12 M C 2.328 178.623 176.300 -0.009 0.000 1.068 12 M CA 1.738 57.031 55.300 -0.012 0.000 1.109 12 M CB -0.244 32.354 32.600 -0.004 0.000 1.342 12 M HN 0.281 nan 8.290 nan 0.000 0.405 13 V N 0.236 120.147 119.914 -0.005 0.000 2.307 13 V HA -0.163 3.957 4.120 -0.000 0.000 0.245 13 V C 2.620 178.721 176.094 0.011 0.000 1.045 13 V CA 2.046 64.344 62.300 -0.004 0.000 1.024 13 V CB -1.641 30.185 31.823 0.004 0.000 0.651 13 V HN 0.732 nan 8.190 nan 0.000 0.449 14 G N -0.445 108.375 108.800 0.034 0.000 2.442 14 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.219 14 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.219 14 G C 1.823 176.775 174.900 0.088 0.000 1.141 14 G CA 1.290 46.446 45.100 0.093 0.000 0.763 14 G HN 0.521 nan 8.290 nan 0.000 0.554 15 S N 0.055 115.778 115.700 0.039 0.000 2.356 15 S HA -0.115 4.355 4.470 -0.000 0.000 0.223 15 S C 2.506 177.090 174.600 -0.026 0.000 1.032 15 S CA 1.192 59.404 58.200 0.020 0.000 1.005 15 S CB -0.373 62.830 63.200 0.004 0.000 0.867 15 S HN 0.187 nan 8.310 nan 0.000 0.449 16 V N 2.069 121.963 119.914 -0.033 0.000 2.392 16 V HA -0.157 3.962 4.120 -0.000 0.000 0.249 16 V C 2.250 178.293 176.094 -0.085 0.000 1.059 16 V CA 1.552 63.815 62.300 -0.062 0.000 1.051 16 V CB -0.719 31.066 31.823 -0.064 0.000 0.658 16 V HN 0.361 nan 8.190 nan 0.000 0.455 17 L N -0.782 120.407 121.223 -0.058 0.000 2.093 17 L HA -0.105 4.234 4.340 -0.000 0.000 0.208 17 L C 2.283 179.090 176.870 -0.104 0.000 1.085 17 L CA 1.978 56.779 54.840 -0.066 0.000 0.755 17 L CB -0.495 41.570 42.059 0.010 0.000 0.904 17 L HN 0.153 nan 8.230 nan 0.000 0.435 18 M N -0.909 118.631 119.600 -0.100 0.000 2.132 18 M HA -0.172 4.308 4.480 -0.000 0.000 0.263 18 M C 2.239 178.364 176.300 -0.293 0.000 1.065 18 M CA 1.591 56.747 55.300 -0.240 0.000 1.122 18 M CB -1.241 31.110 32.600 -0.414 0.000 1.365 18 M HN 0.410 nan 8.290 nan 0.000 0.411 19 Q N -0.493 119.175 119.800 -0.219 0.000 2.061 19 Q HA -0.151 4.189 4.340 -0.000 0.000 0.204 19 Q C 2.238 178.155 176.000 -0.138 0.000 0.984 19 Q CA 1.054 56.759 55.803 -0.165 0.000 0.846 19 Q CB -0.257 28.416 28.738 -0.108 0.000 0.902 19 Q HN 0.387 nan 8.270 nan 0.000 0.421 20 R N 0.440 120.852 120.500 -0.148 0.000 2.075 20 R HA -0.007 4.332 4.340 -0.000 0.000 0.232 20 R C 2.128 178.323 176.300 -0.174 0.000 1.126 20 R CA 1.194 57.200 56.100 -0.156 0.000 0.963 20 R CB -0.429 29.759 30.300 -0.187 0.000 0.858 20 R HN 0.402 nan 8.270 nan 0.000 0.435 21 M N 0.096 119.559 119.600 -0.229 0.000 2.159 21 M HA -0.137 4.343 4.480 -0.000 0.000 0.263 21 M C 2.258 178.411 176.300 -0.245 0.000 1.063 21 M CA 1.293 56.377 55.300 -0.360 0.000 1.110 21 M CB -0.183 32.009 32.600 -0.680 0.000 1.374 21 M HN -0.108 nan 8.290 nan 0.000 0.411 22 V N 0.300 120.168 119.914 -0.076 0.000 2.307 22 V HA -0.228 3.892 4.120 -0.000 0.000 0.245 22 V C 1.954 178.053 176.094 0.008 0.000 1.045 22 V CA 1.815 64.151 62.300 0.060 0.000 1.024 22 V CB -0.711 31.132 31.823 0.033 0.000 0.651 22 V HN 0.469 nan 8.190 nan 0.000 0.449 23 E N -0.041 120.138 120.200 -0.036 0.000 2.118 23 E HA -0.208 4.142 4.350 -0.000 0.000 0.195 23 E C 1.872 178.455 176.600 -0.028 0.000 0.992 23 E CA 1.237 57.620 56.400 -0.029 0.000 0.804 23 E CB -0.040 29.634 29.700 -0.044 0.000 0.741 23 E HN 0.566 nan 8.360 nan 0.000 0.458 24 E N 0.035 120.201 120.200 -0.056 0.000 2.474 24 E HA 0.080 4.430 4.350 -0.000 0.000 0.195 24 E C -0.262 176.310 176.600 -0.047 0.000 1.039 24 E CA -0.089 56.279 56.400 -0.052 0.000 0.881 24 E CB 0.355 30.007 29.700 -0.079 0.000 0.970 24 E HN 0.162 nan 8.360 nan 0.000 0.486 25 R N 1.324 121.806 120.500 -0.030 0.000 3.264 25 R HA -0.141 4.199 4.340 -0.000 0.000 0.251 25 R C -0.432 175.843 176.300 -0.041 0.000 0.971 25 R CA 0.469 56.577 56.100 0.012 0.000 0.658 25 R CB -1.564 28.756 30.300 0.032 0.000 1.095 25 R HN 0.113 nan 8.270 nan 0.000 0.443 26 D N -0.462 119.827 120.400 -0.186 0.000 2.349 26 D HA -0.026 4.614 4.640 -0.000 0.000 0.224 26 D C 1.027 177.176 176.300 -0.250 0.000 1.029 26 D CA 0.711 54.560 54.000 -0.252 0.000 0.879 26 D CB -0.011 40.570 40.800 -0.364 0.000 0.906 26 D HN 0.318 nan 8.370 nan 0.000 0.528 27 F N 0.866 120.833 119.950 0.027 0.000 2.789 27 F HA 0.054 4.581 4.527 -0.000 0.000 0.300 27 F C 1.759 177.588 175.800 0.047 0.000 1.132 27 F CA 0.075 58.106 58.000 0.051 0.000 1.404 27 F CB 0.149 39.190 39.000 0.069 0.000 1.114 27 F HN -0.203 nan 8.300 nan 0.000 0.584 28 D N 0.461 120.964 120.400 0.171 0.000 2.097 28 D HA -0.091 4.548 4.640 -0.000 0.000 0.197 28 D C 2.166 178.514 176.300 0.081 0.000 0.984 28 D CA 1.419 55.486 54.000 0.111 0.000 0.826 28 D CB -0.325 40.517 40.800 0.071 0.000 0.973 28 D HN 0.189 nan 8.370 nan 0.000 0.460 29 A N 0.130 122.985 122.820 0.058 0.000 2.307 29 A HA 0.312 4.632 4.320 -0.000 0.000 0.218 29 A C 0.891 178.505 177.584 0.049 0.000 1.228 29 A CA -0.177 51.884 52.037 0.040 0.000 0.857 29 A CB -0.602 18.407 19.000 0.014 0.000 0.897 29 A HN 0.371 nan 8.150 nan 0.000 0.495 30 I N -5.010 115.612 120.570 0.085 0.000 2.969 30 I HA 0.614 4.784 4.170 -0.000 0.000 0.307 30 I C -0.482 175.711 176.117 0.126 0.000 1.149 30 I CA -1.276 60.081 61.300 0.095 0.000 1.008 30 I CB 1.831 39.896 38.000 0.108 0.000 1.232 30 I HN -0.168 nan 8.210 nan 0.000 0.435 31 R N 4.675 125.235 120.500 0.100 0.000 2.346 31 R HA 0.485 4.825 4.340 -0.000 0.000 0.309 31 R C -2.790 173.563 176.300 0.088 0.000 1.119 31 R CA -1.982 54.171 56.100 0.089 0.000 1.112 31 R CB 0.830 31.167 30.300 0.061 0.000 1.132 31 R HN 0.509 nan 8.270 nan 0.000 0.538 32 P HA 0.085 nan 4.420 nan 0.000 0.275 32 P C -0.706 176.505 177.300 -0.149 0.000 1.227 32 P CA -0.223 62.900 63.100 0.038 0.000 0.781 32 P CB 1.553 33.262 31.700 0.015 0.000 0.906 33 V N 4.403 124.213 119.914 -0.172 0.000 2.443 33 V HA 0.306 4.425 4.120 -0.000 0.000 0.293 33 V C -0.188 175.803 176.094 -0.172 0.000 1.021 33 V CA -0.435 61.796 62.300 -0.115 0.000 0.848 33 V CB 0.743 32.623 31.823 0.096 0.000 0.998 33 V HN 0.333 nan 8.190 nan 0.000 0.424 34 F N 4.800 124.718 119.950 -0.053 0.000 2.411 34 F HA 0.636 5.163 4.527 -0.000 0.000 0.355 34 F C 0.006 175.816 175.800 0.017 0.000 1.117 34 F CA -0.319 57.603 58.000 -0.130 0.000 1.139 34 F CB 0.814 39.450 39.000 -0.607 0.000 1.120 34 F HN 0.287 nan 8.300 nan 0.000 0.493 35 F N 1.200 121.331 119.950 0.301 0.000 2.440 35 F HA 0.587 5.114 4.527 -0.000 0.000 0.328 35 F C 0.350 176.384 175.800 0.389 0.000 1.070 35 F CA -0.732 57.424 58.000 0.258 0.000 1.011 35 F CB 1.913 40.973 39.000 0.099 0.000 1.226 35 F HN 0.284 nan 8.300 nan 0.000 0.491 36 S N -0.631 115.285 115.700 0.359 0.000 2.536 36 S HA 0.395 4.865 4.470 -0.000 0.000 0.287 36 S C 0.378 175.067 174.600 0.149 0.000 1.101 36 S CA -0.239 58.100 58.200 0.231 0.000 0.950 36 S CB 1.254 64.570 63.200 0.193 0.000 1.056 36 S HN 0.777 nan 8.310 nan 0.000 0.481 37 T N 0.551 115.160 114.554 0.091 0.000 3.065 37 T HA 0.182 4.532 4.350 -0.000 0.000 0.252 37 T C 1.246 176.074 174.700 0.213 0.000 1.099 37 T CA 0.780 62.990 62.100 0.183 0.000 1.063 37 T CB 0.113 69.076 68.868 0.158 0.000 0.948 37 T HN 0.356 nan 8.240 nan 0.000 0.506 38 S N 0.313 116.086 115.700 0.120 0.000 3.641 38 S HA 0.310 4.780 4.470 -0.000 0.000 0.180 38 S C 0.102 174.753 174.600 0.086 0.000 0.854 38 S CA -0.593 57.661 58.200 0.089 0.000 1.343 38 S CB 0.035 63.259 63.200 0.040 0.000 0.685 38 S HN 0.496 nan 8.310 nan 0.000 0.724 39 Q N 0.819 120.654 119.800 0.058 0.000 2.386 39 Q HA 0.311 4.651 4.340 -0.000 0.000 0.282 39 Q C -0.550 175.489 176.000 0.066 0.000 1.050 39 Q CA 0.369 56.203 55.803 0.052 0.000 0.918 39 Q CB 0.409 29.167 28.738 0.034 0.000 1.266 39 Q HN 0.452 nan 8.270 nan 0.000 0.423 40 L N -0.635 120.621 121.223 0.054 0.000 2.267 40 L HA 0.484 4.824 4.340 -0.000 0.000 0.264 40 L C 1.410 178.294 176.870 0.023 0.000 1.021 40 L CA -0.393 54.474 54.840 0.046 0.000 0.861 40 L CB 0.650 42.739 42.059 0.050 0.000 1.443 40 L HN 0.933 nan 8.230 nan 0.000 0.475 41 G N -0.547 108.256 108.800 0.005 0.000 2.448 41 G HA2 -0.280 3.680 3.960 -0.000 0.000 0.257 41 G HA3 -0.280 3.680 3.960 -0.000 0.000 0.257 41 G C 0.533 175.428 174.900 -0.008 0.000 0.997 41 G CA 0.331 45.427 45.100 -0.007 0.000 0.635 41 G HN 0.546 nan 8.290 nan 0.000 0.556 42 Q N 0.729 120.531 119.800 0.004 0.000 2.354 42 Q HA 0.403 4.743 4.340 -0.000 0.000 0.310 42 Q C 0.830 176.819 176.000 -0.018 0.000 1.104 42 Q CA 0.697 56.500 55.803 -0.001 0.000 0.968 42 Q CB 0.153 28.902 28.738 0.019 0.000 1.251 42 Q HN 0.992 nan 8.270 nan 0.000 0.411 43 A N 1.689 124.486 122.820 -0.038 0.000 2.491 43 A HA 0.411 4.730 4.320 -0.000 0.000 0.261 43 A C 0.220 177.738 177.584 -0.110 0.000 1.101 43 A CA 0.268 52.263 52.037 -0.070 0.000 0.772 43 A CB -0.023 18.930 19.000 -0.078 0.000 1.043 43 A HN 0.694 nan 8.150 nan 0.000 0.501 44 A N 5.548 128.286 122.820 -0.136 0.000 2.498 44 A HA 0.513 4.833 4.320 -0.000 0.000 0.239 44 A C -1.476 175.814 177.584 -0.489 0.000 1.068 44 A CA -0.925 50.953 52.037 -0.265 0.000 0.766 44 A CB -0.433 18.495 19.000 -0.120 0.000 1.003 44 A HN 0.774 nan 8.150 nan 0.000 0.497 45 P HA 0.069 nan 4.420 nan 0.000 0.269 45 P C -0.306 176.363 177.300 -1.052 0.000 1.217 45 P CA 0.021 62.517 63.100 -1.007 0.000 0.783 45 P CB 0.558 31.382 31.700 -1.461 0.000 0.898 46 S N 0.719 115.928 115.700 -0.819 0.000 2.567 46 S HA 0.330 4.800 4.470 -0.000 0.000 0.262 46 S C 0.264 174.568 174.600 -0.494 0.000 1.237 46 S CA -0.554 57.321 58.200 -0.541 0.000 1.093 46 S CB -0.589 62.433 63.200 -0.296 0.000 1.095 46 S HN 0.205 nan 8.310 nan 0.000 0.489 47 F N 1.993 121.658 119.950 -0.476 0.000 2.500 47 F HA 0.379 4.906 4.527 -0.000 0.000 0.285 47 F C 2.229 177.844 175.800 -0.308 0.000 1.088 47 F CA 0.115 57.847 58.000 -0.447 0.000 1.432 47 F CB -0.660 37.870 39.000 -0.782 0.000 1.131 47 F HN 0.665 nan 8.300 nan 0.000 0.582 48 G N -1.397 107.271 108.800 -0.221 0.000 3.088 48 G HA2 0.383 4.343 3.960 -0.000 0.000 0.217 48 G HA3 0.383 4.343 3.960 -0.000 0.000 0.217 48 G C 1.455 176.364 174.900 0.015 0.000 1.159 48 G CA 0.364 45.489 45.100 0.043 0.000 0.760 48 G HN 0.607 nan 8.290 nan 0.000 0.550 49 G N -0.250 108.515 108.800 -0.059 0.000 2.199 49 G HA2 -0.298 3.662 3.960 -0.000 0.000 0.254 49 G HA3 -0.298 3.662 3.960 -0.000 0.000 0.254 49 G C 0.638 175.498 174.900 -0.068 0.000 0.982 49 G CA 0.418 45.485 45.100 -0.055 0.000 0.632 49 G HN 0.687 nan 8.290 nan 0.000 0.529 50 T N 1.484 115.996 114.554 -0.070 0.000 2.791 50 T HA 0.462 4.812 4.350 -0.000 0.000 0.323 50 T C 1.096 175.749 174.700 -0.078 0.000 1.082 50 T CA 1.013 63.087 62.100 -0.043 0.000 1.084 50 T CB 1.121 69.989 68.868 -0.001 0.000 0.992 50 T HN 1.146 nan 8.240 nan 0.000 0.547 51 T N -2.204 112.322 114.554 -0.047 0.000 2.718 51 T HA 0.836 5.186 4.350 -0.000 0.000 0.267 51 T C 0.327 175.003 174.700 -0.040 0.000 0.957 51 T CA -0.185 61.877 62.100 -0.062 0.000 1.025 51 T CB 1.444 70.283 68.868 -0.048 0.000 1.355 51 T HN 1.426 nan 8.240 nan 0.000 0.572 52 G N -0.048 108.725 108.800 -0.046 0.000 2.434 52 G HA2 0.377 4.337 3.960 -0.000 0.000 0.671 52 G HA3 0.377 4.337 3.960 -0.000 0.000 0.671 52 G C -0.382 174.489 174.900 -0.049 0.000 1.280 52 G CA -0.172 44.907 45.100 -0.036 0.000 0.975 52 G HN 1.836 nan 8.290 nan 0.000 0.510 53 T N -1.667 112.858 114.554 -0.048 0.000 2.907 53 T HA 0.726 5.076 4.350 -0.000 0.000 0.292 53 T C 0.353 175.017 174.700 -0.060 0.000 1.043 53 T CA -0.838 61.232 62.100 -0.050 0.000 1.003 53 T CB 1.716 70.558 68.868 -0.044 0.000 1.084 53 T HN 0.974 nan 8.240 nan 0.000 0.483 54 L N 2.579 123.786 121.223 -0.026 0.000 2.499 54 L HA 0.222 4.562 4.340 -0.000 0.000 0.273 54 L C 0.794 177.604 176.870 -0.100 0.000 1.195 54 L CA -0.497 54.341 54.840 -0.003 0.000 0.882 54 L CB 0.158 42.280 42.059 0.104 0.000 1.133 54 L HN 0.565 nan 8.230 nan 0.000 0.483 55 Q N 1.578 121.202 119.800 -0.294 0.000 2.180 55 Q HA 0.214 4.554 4.340 -0.000 0.000 0.241 55 Q C -0.668 175.263 176.000 -0.115 0.000 0.970 55 Q CA -0.732 54.833 55.803 -0.397 0.000 0.919 55 Q CB 1.292 29.398 28.738 -1.052 0.000 1.222 55 Q HN 0.412 nan 8.270 nan 0.000 0.482 56 D N 0.229 120.658 120.400 0.049 0.000 2.344 56 D HA 0.193 4.832 4.640 -0.000 0.000 0.253 56 D C 0.485 177.024 176.300 0.399 0.000 1.255 56 D CA -0.030 54.103 54.000 0.223 0.000 0.894 56 D CB 0.880 41.805 40.800 0.208 0.000 1.067 56 D HN 0.550 nan 8.370 nan 0.000 0.492 57 A N 3.689 126.685 122.820 0.292 0.000 2.186 57 A HA -0.151 4.169 4.320 -0.000 0.000 0.219 57 A C 1.211 178.677 177.584 -0.197 0.000 1.159 57 A CA 0.904 52.959 52.037 0.031 0.000 0.680 57 A CB -0.493 18.285 19.000 -0.369 0.000 0.787 57 A HN 0.579 nan 8.150 nan 0.000 0.467 58 F N -0.861 119.267 119.950 0.297 0.000 2.661 58 F HA 0.213 4.740 4.527 -0.000 0.000 0.306 58 F C 0.348 176.234 175.800 0.144 0.000 1.094 58 F CA -1.074 57.055 58.000 0.215 0.000 1.254 58 F CB 0.430 39.534 39.000 0.174 0.000 1.040 58 F HN 0.038 nan 8.300 nan 0.000 0.562 59 D N 1.624 122.193 120.400 0.282 0.000 2.402 59 D HA 0.116 4.756 4.640 -0.000 0.000 0.235 59 D C 1.373 177.755 176.300 0.136 0.000 1.226 59 D CA 0.259 54.381 54.000 0.203 0.000 0.918 59 D CB 0.483 41.405 40.800 0.205 0.000 1.043 59 D HN 0.215 nan 8.370 nan 0.000 0.506 60 L N 2.621 123.892 121.223 0.080 0.000 2.129 60 L HA -0.189 4.151 4.340 -0.000 0.000 0.212 60 L C 2.068 178.930 176.870 -0.013 0.000 1.087 60 L CA 1.141 55.980 54.840 -0.001 0.000 0.757 60 L CB -0.184 41.868 42.059 -0.012 0.000 0.896 60 L HN 0.452 nan 8.230 nan 0.000 0.434 61 E N 0.061 120.282 120.200 0.034 0.000 2.072 61 E HA -0.183 4.167 4.350 -0.000 0.000 0.191 61 E C 2.325 178.963 176.600 0.063 0.000 0.985 61 E CA 1.096 57.519 56.400 0.039 0.000 0.801 61 E CB -0.119 29.611 29.700 0.049 0.000 0.750 61 E HN 0.507 nan 8.360 nan 0.000 0.452 62 A N 0.990 123.880 122.820 0.117 0.000 1.969 62 A HA -0.111 4.208 4.320 -0.000 0.000 0.218 62 A C 2.143 179.859 177.584 0.219 0.000 1.169 62 A CA 0.860 53.016 52.037 0.197 0.000 0.635 62 A CB -0.436 18.734 19.000 0.283 0.000 0.810 62 A HN 0.101 nan 8.150 nan 0.000 0.445 63 L N -0.727 120.534 121.223 0.063 0.000 2.044 63 L HA -0.144 4.196 4.340 -0.000 0.000 0.205 63 L C 2.368 179.034 176.870 -0.340 0.000 1.075 63 L CA 1.518 56.231 54.840 -0.212 0.000 0.747 63 L CB -0.494 41.356 42.059 -0.348 0.000 0.903 63 L HN 0.287 nan 8.230 nan 0.000 0.435 64 K N 0.367 120.582 120.400 -0.307 0.000 2.360 64 K HA -0.133 4.187 4.320 -0.000 0.000 0.201 64 K C 1.934 178.611 176.600 0.129 0.000 1.046 64 K CA 1.137 57.273 56.287 -0.252 0.000 0.940 64 K CB -0.202 32.266 32.500 -0.053 0.000 0.748 64 K HN 0.309 nan 8.250 nan 0.000 0.465 65 A N 0.858 123.746 122.820 0.113 0.000 2.169 65 A HA 0.095 4.415 4.320 -0.000 0.000 0.212 65 A C 0.860 178.581 177.584 0.228 0.000 1.153 65 A CA 0.147 52.287 52.037 0.172 0.000 0.756 65 A CB -0.085 18.991 19.000 0.126 0.000 0.813 65 A HN 0.079 nan 8.150 nan 0.000 0.471 66 L N -0.160 121.224 121.223 0.268 0.000 2.453 66 L HA 0.190 4.529 4.340 -0.000 0.000 0.261 66 L C 0.662 177.793 176.870 0.435 0.000 1.179 66 L CA -0.618 54.397 54.840 0.291 0.000 0.813 66 L CB 0.508 42.689 42.059 0.202 0.000 1.110 66 L HN 0.218 nan 8.230 nan 0.000 0.466 67 D N 1.025 121.591 120.400 0.275 0.000 2.277 67 D HA 0.202 4.842 4.640 -0.000 0.000 0.209 67 D C 0.023 176.476 176.300 0.256 0.000 0.970 67 D CA 1.143 55.266 54.000 0.206 0.000 0.874 67 D CB 0.784 41.665 40.800 0.135 0.000 0.982 67 D HN 0.179 nan 8.370 nan 0.000 0.504 68 I N 0.477 121.205 120.570 0.263 0.000 2.722 68 I HA 0.295 4.465 4.170 -0.000 0.000 0.295 68 I C -0.834 175.352 176.117 0.116 0.000 1.161 68 I CA -0.557 60.891 61.300 0.246 0.000 1.032 68 I CB 2.947 41.006 38.000 0.097 0.000 1.244 68 I HN -0.264 nan 8.210 nan 0.000 0.421 69 I N 5.168 125.810 120.570 0.120 0.000 2.436 69 I HA 0.491 4.661 4.170 -0.000 0.000 0.289 69 I C -0.999 174.893 176.117 -0.375 0.000 1.010 69 I CA -0.956 60.224 61.300 -0.200 0.000 1.098 69 I CB 1.977 39.839 38.000 -0.229 0.000 1.266 69 I HN 0.132 nan 8.210 nan 0.000 0.434 70 V N 4.952 124.576 119.914 -0.483 0.000 2.313 70 V HA 0.349 4.469 4.120 -0.000 0.000 0.278 70 V C 0.197 176.116 176.094 -0.291 0.000 1.017 70 V CA -0.434 61.642 62.300 -0.374 0.000 0.823 70 V CB 1.499 33.113 31.823 -0.349 0.000 1.010 70 V HN 0.847 nan 8.190 nan 0.000 0.443 71 T N 0.646 114.991 114.554 -0.348 0.000 2.823 71 T HA 0.430 4.780 4.350 -0.000 0.000 0.279 71 T C 0.051 174.709 174.700 -0.069 0.000 0.998 71 T CA -0.566 61.399 62.100 -0.224 0.000 0.994 71 T CB 1.473 70.170 68.868 -0.286 0.000 0.960 71 T HN 0.516 nan 8.240 nan 0.000 0.448 72 C N 2.271 121.564 119.300 -0.011 0.000 3.226 72 C HA 0.314 4.774 4.460 -0.000 0.000 0.258 72 C C 1.913 176.906 174.990 0.005 0.000 1.688 72 C CA -0.366 58.667 59.018 0.024 0.000 1.774 72 C CB -0.750 27.024 27.740 0.057 0.000 3.167 72 C HN 1.042 nan 8.230 nan 0.000 0.509 73 Q N 1.936 121.716 119.800 -0.034 0.000 2.083 73 Q HA 0.344 4.684 4.340 -0.000 0.000 0.198 73 Q C 1.100 177.133 176.000 0.055 0.000 0.969 73 Q CA 2.088 57.850 55.803 -0.069 0.000 0.838 73 Q CB 0.024 28.561 28.738 -0.335 0.000 0.900 73 Q HN 0.699 nan 8.270 nan 0.000 0.436 74 G N -3.314 105.569 108.800 0.139 0.000 2.353 74 G HA2 0.170 4.129 3.960 -0.000 0.000 0.424 74 G HA3 0.170 4.129 3.960 -0.000 0.000 0.424 74 G C 0.379 175.411 174.900 0.220 0.000 1.320 74 G CA -0.255 44.939 45.100 0.157 0.000 0.995 74 G HN 0.277 nan 8.290 nan 0.000 0.580 75 G N -0.797 108.103 108.800 0.167 0.000 2.408 75 G HA2 0.016 3.976 3.960 -0.000 0.000 0.217 75 G HA3 0.016 3.976 3.960 -0.000 0.000 0.217 75 G C 1.142 176.137 174.900 0.158 0.000 1.150 75 G CA 1.907 47.099 45.100 0.153 0.000 0.776 75 G HN 0.637 nan 8.290 nan 0.000 0.542 76 D N -0.523 119.978 120.400 0.169 0.000 2.178 76 D HA -0.104 4.536 4.640 -0.000 0.000 0.202 76 D C 1.874 178.307 176.300 0.221 0.000 0.974 76 D CA 0.677 54.774 54.000 0.162 0.000 0.841 76 D CB -0.181 40.712 40.800 0.154 0.000 0.953 76 D HN 0.388 nan 8.370 nan 0.000 0.478 77 Y N 1.942 122.352 120.300 0.184 0.000 2.133 77 Y HA -0.208 4.342 4.550 -0.000 0.000 0.287 77 Y C 2.401 178.451 175.900 0.250 0.000 1.134 77 Y CA 1.757 59.997 58.100 0.234 0.000 1.133 77 Y CB -0.589 37.976 38.460 0.175 0.000 0.987 77 Y HN -0.149 nan 8.280 nan 0.000 0.502 78 T N 1.156 115.850 114.554 0.235 0.000 2.684 78 T HA -0.200 4.150 4.350 -0.000 0.000 0.267 78 T C 1.676 176.386 174.700 0.017 0.000 1.036 78 T CA 1.597 63.827 62.100 0.217 0.000 1.148 78 T CB -0.389 68.687 68.868 0.347 0.000 0.863 78 T HN 0.397 nan 8.240 nan 0.000 0.436 79 N N 0.833 119.556 118.700 0.039 0.000 2.205 79 N HA -0.123 4.617 4.740 -0.000 0.000 0.186 79 N C 1.915 177.416 175.510 -0.015 0.000 1.015 79 N CA 1.163 54.218 53.050 0.009 0.000 0.862 79 N CB -0.201 38.302 38.487 0.028 0.000 0.986 79 N HN 0.660 nan 8.380 nan 0.000 0.429 80 E N 0.114 120.300 120.200 -0.024 0.000 2.075 80 E HA -0.036 4.314 4.350 -0.000 0.000 0.190 80 E C 1.617 178.161 176.600 -0.094 0.000 0.969 80 E CA 0.416 56.796 56.400 -0.034 0.000 0.815 80 E CB 0.126 29.838 29.700 0.019 0.000 0.776 80 E HN 0.041 nan 8.360 nan 0.000 0.457 81 I N 0.571 121.022 120.570 -0.197 0.000 2.193 81 I HA -0.155 4.015 4.170 -0.000 0.000 0.240 81 I C 2.263 178.198 176.117 -0.304 0.000 1.084 81 I CA 1.044 62.190 61.300 -0.257 0.000 1.365 81 I CB -1.052 36.674 38.000 -0.457 0.000 1.064 81 I HN 0.224 nan 8.210 nan 0.000 0.410 82 Y N 3.068 123.031 120.300 -0.562 0.000 2.014 82 Y HA -0.262 4.288 4.550 -0.000 0.000 0.272 82 Y C -0.458 175.191 175.900 -0.417 0.000 1.164 82 Y CA 2.558 60.184 58.100 -0.789 0.000 1.114 82 Y CB -1.921 35.963 38.460 -0.960 0.000 0.961 82 Y HN 0.150 nan 8.280 nan 0.000 0.489 83 P HA -0.206 nan 4.420 nan 0.000 0.216 83 P C 0.956 178.126 177.300 -0.217 0.000 1.150 83 P CA 2.224 65.207 63.100 -0.195 0.000 0.843 83 P CB -0.110 31.557 31.700 -0.056 0.000 0.787 84 K N -0.371 119.914 120.400 -0.192 0.000 2.025 84 K HA -0.053 4.267 4.320 -0.000 0.000 0.207 84 K C 2.412 178.909 176.600 -0.172 0.000 1.049 84 K CA 1.096 57.295 56.287 -0.147 0.000 0.933 84 K CB -0.584 31.849 32.500 -0.113 0.000 0.714 84 K HN 0.162 nan 8.250 nan 0.000 0.438 85 L N 0.687 121.757 121.223 -0.255 0.000 2.017 85 L HA -0.188 4.152 4.340 -0.000 0.000 0.208 85 L C 2.502 179.299 176.870 -0.122 0.000 1.073 85 L CA 1.054 55.759 54.840 -0.225 0.000 0.745 85 L CB -0.386 41.449 42.059 -0.374 0.000 0.894 85 L HN 0.124 nan 8.230 nan 0.000 0.432 86 R N 0.355 120.679 120.500 -0.294 0.000 2.120 86 R HA -0.132 4.208 4.340 -0.000 0.000 0.234 86 R C 1.992 178.213 176.300 -0.132 0.000 1.123 86 R CA 1.092 57.045 56.100 -0.245 0.000 0.975 86 R CB -0.521 29.508 30.300 -0.452 0.000 0.866 86 R HN 0.530 nan 8.270 nan 0.000 0.446 87 E N 0.271 120.395 120.200 -0.125 0.000 2.158 87 E HA -0.071 4.278 4.350 -0.000 0.000 0.191 87 E C 1.672 178.246 176.600 -0.044 0.000 0.982 87 E CA 1.189 57.543 56.400 -0.076 0.000 0.823 87 E CB 0.066 29.723 29.700 -0.072 0.000 0.766 87 E HN 0.331 nan 8.360 nan 0.000 0.468 88 S N -0.717 114.962 115.700 -0.036 0.000 2.515 88 S HA 0.047 4.517 4.470 -0.000 0.000 0.231 88 S C 1.612 176.225 174.600 0.021 0.000 0.987 88 S CA 0.614 58.810 58.200 -0.006 0.000 0.936 88 S CB 0.341 63.538 63.200 -0.005 0.000 0.766 88 S HN 0.363 nan 8.310 nan 0.000 0.528 89 G N -0.237 108.576 108.800 0.023 0.000 2.184 89 G HA2 -0.257 3.703 3.960 -0.000 0.000 0.206 89 G HA3 -0.257 3.703 3.960 -0.000 0.000 0.206 89 G C -0.249 174.689 174.900 0.063 0.000 0.995 89 G CA -0.285 44.829 45.100 0.023 0.000 0.651 89 G HN 0.571 nan 8.290 nan 0.000 0.511 90 W N 2.263 123.504 121.300 -0.098 0.000 2.322 90 W HA 0.560 5.220 4.660 -0.000 0.000 0.328 90 W C 0.924 177.376 176.519 -0.112 0.000 1.395 90 W CA 0.537 57.828 57.345 -0.089 0.000 1.267 90 W CB 0.542 29.950 29.460 -0.086 0.000 1.259 90 W HN 0.208 nan 8.180 nan 0.000 0.560 91 Q N 4.633 124.051 119.800 -0.636 0.000 2.175 91 Q HA 0.199 4.539 4.340 -0.000 0.000 0.225 91 Q C 1.029 176.381 176.000 -1.080 0.000 0.837 91 Q CA -0.215 55.176 55.803 -0.688 0.000 1.032 91 Q CB 0.722 29.221 28.738 -0.397 0.000 1.137 91 Q HN 0.658 nan 8.270 nan 0.000 0.483 92 G N 0.052 107.615 108.800 -2.062 0.000 2.683 92 G HA2 0.070 4.029 3.960 -0.000 0.000 0.260 92 G HA3 0.070 4.029 3.960 -0.000 0.000 0.260 92 G C -0.870 173.405 174.900 -1.040 0.000 1.238 92 G CA -0.253 43.897 45.100 -1.584 0.000 0.934 92 G HN 0.151 nan 8.290 nan 0.000 0.534 93 Y N -0.589 119.581 120.300 -0.218 0.000 2.327 93 Y HA 0.308 4.858 4.550 -0.000 0.000 0.336 93 Y C -0.051 176.076 175.900 0.378 0.000 1.035 93 Y CA -0.528 57.641 58.100 0.115 0.000 1.165 93 Y CB 1.312 39.840 38.460 0.115 0.000 1.181 93 Y HN 0.484 nan 8.280 nan 0.000 0.494 94 W N 7.087 128.637 121.300 0.418 0.000 2.318 94 W HA 0.466 5.126 4.660 -0.000 0.000 0.315 94 W C -1.934 174.776 176.519 0.319 0.000 1.033 94 W CA -0.994 56.600 57.345 0.414 0.000 1.275 94 W CB 0.848 30.625 29.460 0.530 0.000 1.250 94 W HN 0.342 nan 8.180 nan 0.000 0.421 95 I N 6.035 126.645 120.570 0.068 0.000 2.321 95 I HA 0.210 4.380 4.170 -0.000 0.000 0.291 95 I C -0.248 175.792 176.117 -0.128 0.000 0.998 95 I CA -0.208 61.133 61.300 0.068 0.000 1.227 95 I CB 1.304 39.317 38.000 0.022 0.000 1.368 95 I HN 0.314 nan 8.210 nan 0.000 0.466 96 D N 4.067 124.491 120.400 0.040 0.000 2.780 96 D HA 0.566 5.206 4.640 -0.000 0.000 0.242 96 D C 0.323 176.673 176.300 0.083 0.000 1.135 96 D CA -0.390 53.638 54.000 0.046 0.000 0.859 96 D CB 2.650 43.610 40.800 0.266 0.000 1.530 96 D HN 0.555 nan 8.370 nan 0.000 0.493 97 A N 2.237 125.094 122.820 0.062 0.000 2.081 97 A HA 0.467 4.787 4.320 -0.000 0.000 0.214 97 A C 1.081 178.713 177.584 0.081 0.000 1.158 97 A CA 0.717 52.791 52.037 0.062 0.000 0.724 97 A CB -0.096 18.929 19.000 0.042 0.000 0.826 97 A HN 0.568 nan 8.150 nan 0.000 0.463 98 A N 0.344 123.229 122.820 0.107 0.000 2.425 98 A HA 0.417 4.737 4.320 -0.000 0.000 0.242 98 A C 1.496 179.143 177.584 0.105 0.000 1.077 98 A CA 0.413 52.519 52.037 0.114 0.000 0.781 98 A CB 0.148 19.239 19.000 0.153 0.000 1.020 98 A HN 0.952 nan 8.150 nan 0.000 0.494 99 S N 0.976 116.731 115.700 0.091 0.000 2.527 99 S HA -0.071 4.399 4.470 -0.000 0.000 0.222 99 S C 1.668 176.308 174.600 0.067 0.000 0.985 99 S CA 0.994 59.244 58.200 0.084 0.000 0.921 99 S CB -0.433 62.821 63.200 0.090 0.000 0.772 99 S HN 0.687 nan 8.310 nan 0.000 0.529 100 S N 2.833 118.569 115.700 0.061 0.000 2.393 100 S HA -0.125 4.345 4.470 -0.000 0.000 0.235 100 S C 1.550 176.138 174.600 -0.020 0.000 1.061 100 S CA 2.015 60.230 58.200 0.025 0.000 1.129 100 S CB -0.679 62.537 63.200 0.027 0.000 1.011 100 S HN 0.598 nan 8.310 nan 0.000 0.436 101 L N 0.627 121.818 121.223 -0.053 0.000 2.591 101 L HA 0.170 4.510 4.340 -0.000 0.000 0.228 101 L C 2.278 179.114 176.870 -0.055 0.000 1.133 101 L CA 0.027 54.792 54.840 -0.126 0.000 0.880 101 L CB -0.350 41.533 42.059 -0.293 0.000 1.033 101 L HN 0.175 nan 8.230 nan 0.000 0.450 102 R N 0.471 120.975 120.500 0.007 0.000 2.112 102 R HA -0.179 4.161 4.340 -0.000 0.000 0.242 102 R C 1.597 177.913 176.300 0.027 0.000 1.137 102 R CA 1.497 57.616 56.100 0.031 0.000 0.944 102 R CB -0.209 30.131 30.300 0.067 0.000 0.857 102 R HN 0.261 nan 8.270 nan 0.000 0.435 103 M N 0.949 120.579 119.600 0.049 0.000 2.568 103 M HA 0.102 4.582 4.480 -0.000 0.000 0.226 103 M C -0.172 176.142 176.300 0.024 0.000 1.148 103 M CA 0.207 55.542 55.300 0.059 0.000 1.007 103 M CB -0.136 32.545 32.600 0.135 0.000 1.651 103 M HN -0.192 nan 8.290 nan 0.000 0.488 104 K N 1.746 122.138 120.400 -0.012 0.000 2.350 104 K HA 0.040 4.360 4.320 -0.000 0.000 0.279 104 K C 0.650 177.233 176.600 -0.029 0.000 1.027 104 K CA -0.010 56.259 56.287 -0.030 0.000 0.969 104 K CB 0.769 33.226 32.500 -0.072 0.000 0.954 104 K HN 0.106 nan 8.250 nan 0.000 0.474 105 D N 1.275 121.664 120.400 -0.018 0.000 2.263 105 D HA -0.158 4.482 4.640 -0.000 0.000 0.208 105 D C 0.711 176.991 176.300 -0.034 0.000 0.971 105 D CA 1.250 55.238 54.000 -0.019 0.000 0.867 105 D CB 0.269 41.063 40.800 -0.010 0.000 0.929 105 D HN 0.578 nan 8.370 nan 0.000 0.492 106 D N -0.384 119.991 120.400 -0.042 0.000 2.427 106 D HA 0.249 4.889 4.640 -0.000 0.000 0.224 106 D C -0.003 176.233 176.300 -0.107 0.000 1.157 106 D CA -0.289 53.677 54.000 -0.057 0.000 0.828 106 D CB 0.204 40.989 40.800 -0.026 0.000 0.974 106 D HN -0.041 nan 8.370 nan 0.000 0.498 107 A N 0.313 123.059 122.820 -0.123 0.000 2.454 107 A HA 0.643 4.963 4.320 -0.000 0.000 0.302 107 A C -1.080 176.407 177.584 -0.163 0.000 1.079 107 A CA -0.747 51.178 52.037 -0.185 0.000 0.731 107 A CB 1.699 20.612 19.000 -0.145 0.000 1.299 107 A HN 0.139 nan 8.150 nan 0.000 0.413 108 I N 1.762 122.198 120.570 -0.224 0.000 2.474 108 I HA 0.364 4.534 4.170 -0.000 0.000 0.294 108 I C -0.422 175.723 176.117 0.046 0.000 1.005 108 I CA -0.537 60.722 61.300 -0.068 0.000 1.113 108 I CB 1.680 39.672 38.000 -0.013 0.000 1.289 108 I HN 0.553 nan 8.210 nan 0.000 0.436 109 I N 6.495 127.103 120.570 0.062 0.000 2.352 109 I HA 0.265 4.434 4.170 -0.000 0.000 0.290 109 I C 0.392 176.577 176.117 0.114 0.000 1.036 109 I CA -0.438 60.910 61.300 0.080 0.000 1.336 109 I CB 0.634 38.658 38.000 0.040 0.000 1.407 109 I HN 0.390 nan 8.210 nan 0.000 0.497 110 I N 5.155 125.814 120.570 0.148 0.000 2.385 110 I HA 0.573 4.743 4.170 -0.000 0.000 0.294 110 I C -0.632 175.541 176.117 0.093 0.000 0.988 110 I CA -0.653 60.731 61.300 0.140 0.000 1.265 110 I CB 1.726 39.826 38.000 0.165 0.000 1.388 110 I HN 0.503 nan 8.210 nan 0.000 0.480 111 L N 6.862 128.130 121.223 0.075 0.000 2.338 111 L HA 0.137 4.476 4.340 -0.000 0.000 0.264 111 L C 0.857 177.755 176.870 0.047 0.000 1.502 111 L CA 0.064 54.941 54.840 0.062 0.000 0.751 111 L CB 0.179 42.248 42.059 0.017 0.000 0.926 111 L HN 0.847 nan 8.230 nan 0.000 0.528 112 D N 0.251 120.689 120.400 0.064 0.000 2.191 112 D HA -0.226 4.414 4.640 -0.000 0.000 0.195 112 D C -1.207 175.125 176.300 0.053 0.000 1.003 112 D CA 1.503 55.534 54.000 0.052 0.000 0.867 112 D CB -0.746 40.081 40.800 0.044 0.000 0.926 112 D HN 0.393 nan 8.370 nan 0.000 0.450 113 P HA -0.041 nan 4.420 nan 0.000 0.225 113 P C 1.649 179.005 177.300 0.093 0.000 1.148 113 P CA 0.585 63.723 63.100 0.063 0.000 0.779 113 P CB 0.192 31.886 31.700 -0.011 0.000 0.780 114 V N -0.250 119.715 119.914 0.085 0.000 2.788 114 V HA 0.060 4.180 4.120 -0.000 0.000 0.241 114 V C 1.279 177.423 176.094 0.083 0.000 1.083 114 V CA 1.432 63.813 62.300 0.135 0.000 1.103 114 V CB -0.526 31.308 31.823 0.018 0.000 0.800 114 V HN 0.237 nan 8.190 nan 0.000 0.476 115 N N 0.043 118.772 118.700 0.047 0.000 2.497 115 N HA 0.064 4.804 4.740 -0.000 0.000 0.284 115 N C 1.073 176.611 175.510 0.045 0.000 1.459 115 N CA -0.146 52.930 53.050 0.042 0.000 0.899 115 N CB 0.661 39.166 38.487 0.031 0.000 1.316 115 N HN 0.261 nan 8.380 nan 0.000 0.500 116 Q N 1.851 121.673 119.800 0.038 0.000 2.152 116 Q HA -0.225 4.115 4.340 -0.000 0.000 0.206 116 Q C 1.207 177.224 176.000 0.029 0.000 0.985 116 Q CA 2.390 58.209 55.803 0.027 0.000 0.863 116 Q CB -0.152 28.596 28.738 0.017 0.000 0.904 116 Q HN 0.560 nan 8.270 nan 0.000 0.422 117 D N -1.136 119.283 120.400 0.030 0.000 2.123 117 D HA -0.153 4.486 4.640 -0.000 0.000 0.196 117 D C 1.781 178.108 176.300 0.045 0.000 0.992 117 D CA 1.573 55.592 54.000 0.031 0.000 0.833 117 D CB -0.550 40.267 40.800 0.028 0.000 0.954 117 D HN 0.286 nan 8.370 nan 0.000 0.455 118 V N 1.242 121.188 119.914 0.053 0.000 2.358 118 V HA -0.197 3.923 4.120 -0.000 0.000 0.246 118 V C 2.713 178.874 176.094 0.111 0.000 1.047 118 V CA 0.875 63.216 62.300 0.069 0.000 1.035 118 V CB -0.324 31.537 31.823 0.062 0.000 0.658 118 V HN 0.149 nan 8.190 nan 0.000 0.452 119 I N 0.337 120.979 120.570 0.119 0.000 2.163 119 I HA -0.215 3.955 4.170 -0.000 0.000 0.243 119 I C 2.535 178.730 176.117 0.130 0.000 1.085 119 I CA 1.988 63.388 61.300 0.167 0.000 1.347 119 I CB -1.680 36.353 38.000 0.055 0.000 1.044 119 I HN 0.328 nan 8.210 nan 0.000 0.408 120 T N 0.133 114.724 114.554 0.063 0.000 2.737 120 T HA -0.201 4.149 4.350 -0.000 0.000 0.265 120 T C 1.651 176.395 174.700 0.073 0.000 1.038 120 T CA 1.814 63.941 62.100 0.045 0.000 1.144 120 T CB -0.331 68.549 68.868 0.021 0.000 0.866 120 T HN 0.296 nan 8.240 nan 0.000 0.434 121 D N 0.579 121.022 120.400 0.072 0.000 2.123 121 D HA -0.068 4.572 4.640 -0.000 0.000 0.196 121 D C 2.269 178.625 176.300 0.093 0.000 0.992 121 D CA 1.478 55.518 54.000 0.067 0.000 0.833 121 D CB -0.641 40.191 40.800 0.054 0.000 0.954 121 D HN 0.372 nan 8.370 nan 0.000 0.455 122 G N 0.326 109.206 108.800 0.134 0.000 2.459 122 G HA2 -0.233 3.727 3.960 -0.000 0.000 0.217 122 G HA3 -0.233 3.727 3.960 -0.000 0.000 0.217 122 G C 1.775 176.810 174.900 0.226 0.000 1.183 122 G CA 0.785 45.986 45.100 0.168 0.000 0.776 122 G HN 0.345 nan 8.290 nan 0.000 0.552 123 L N 0.602 122.004 121.223 0.297 0.000 2.012 123 L HA -0.150 4.190 4.340 -0.000 0.000 0.210 123 L C 2.764 179.740 176.870 0.178 0.000 1.073 123 L CA 1.302 56.319 54.840 0.296 0.000 0.748 123 L CB -0.474 41.682 42.059 0.160 0.000 0.891 123 L HN 0.159 nan 8.230 nan 0.000 0.431 124 N N 0.030 118.798 118.700 0.115 0.000 2.223 124 N HA -0.158 4.582 4.740 -0.000 0.000 0.185 124 N C 1.366 176.915 175.510 0.065 0.000 1.016 124 N CA 1.059 54.154 53.050 0.076 0.000 0.863 124 N CB -0.507 38.012 38.487 0.053 0.000 0.983 124 N HN 0.368 nan 8.380 nan 0.000 0.429 125 N N -0.410 118.333 118.700 0.070 0.000 2.412 125 N HA 0.079 4.819 4.740 -0.000 0.000 0.184 125 N C 1.081 176.613 175.510 0.038 0.000 1.101 125 N CA 0.823 53.900 53.050 0.046 0.000 0.881 125 N CB 0.594 39.105 38.487 0.039 0.000 0.969 125 N HN 0.379 nan 8.380 nan 0.000 0.459 126 G N 0.172 109.008 108.800 0.060 0.000 2.192 126 G HA2 -0.216 3.744 3.960 -0.000 0.000 0.193 126 G HA3 -0.216 3.744 3.960 -0.000 0.000 0.193 126 G C -0.161 174.748 174.900 0.015 0.000 0.999 126 G CA -0.517 44.600 45.100 0.027 0.000 0.659 126 G HN 0.156 nan 8.290 nan 0.000 0.503 127 I N 1.294 121.893 120.570 0.049 0.000 2.683 127 I HA 0.329 4.498 4.170 -0.000 0.000 0.286 127 I C 1.388 177.522 176.117 0.027 0.000 1.175 127 I CA 0.200 61.476 61.300 -0.040 0.000 1.429 127 I CB 0.845 38.768 38.000 -0.128 0.000 1.371 127 I HN 0.045 nan 8.210 nan 0.000 0.569 128 R N 3.167 123.611 120.500 -0.093 0.000 2.535 128 R HA 0.259 4.598 4.340 -0.000 0.000 0.323 128 R C -0.454 175.913 176.300 0.111 0.000 0.979 128 R CA -0.041 56.050 56.100 -0.015 0.000 1.120 128 R CB 0.046 30.153 30.300 -0.322 0.000 1.306 128 R HN 0.499 nan 8.270 nan 0.000 0.540 129 T N 1.443 115.883 114.554 -0.189 0.000 2.815 129 T HA 0.576 4.925 4.350 -0.000 0.000 0.289 129 T C -0.865 173.578 174.700 -0.428 0.000 1.000 129 T CA -0.231 61.843 62.100 -0.043 0.000 0.958 129 T CB 0.781 69.648 68.868 -0.002 0.000 0.944 129 T HN -0.132 nan 8.240 nan 0.000 0.442 130 F N 2.157 122.245 119.950 0.229 0.000 2.507 130 F HA 0.638 5.165 4.527 -0.000 0.000 0.328 130 F C -0.214 175.670 175.800 0.139 0.000 1.136 130 F CA -1.025 57.065 58.000 0.150 0.000 0.930 130 F CB 1.713 40.787 39.000 0.124 0.000 1.166 130 F HN 0.198 nan 8.300 nan 0.000 0.436 131 V N 2.042 122.086 119.914 0.217 0.000 2.604 131 V HA 0.704 4.824 4.120 -0.000 0.000 0.305 131 V C 0.400 176.572 176.094 0.131 0.000 1.043 131 V CA -1.135 61.262 62.300 0.162 0.000 0.888 131 V CB 1.702 33.592 31.823 0.112 0.000 0.995 131 V HN 0.901 nan 8.190 nan 0.000 0.429 132 G N 2.187 111.052 108.800 0.109 0.000 2.491 132 G HA2 0.474 4.434 3.960 -0.000 0.000 0.238 132 G HA3 0.474 4.434 3.960 -0.000 0.000 0.238 132 G C 0.407 175.354 174.900 0.078 0.000 1.277 132 G CA 0.376 45.529 45.100 0.087 0.000 0.851 132 G HN 1.096 nan 8.290 nan 0.000 0.573 133 G N -0.086 108.755 108.800 0.069 0.000 2.522 133 G HA2 0.319 4.279 3.960 -0.000 0.000 0.304 133 G HA3 0.319 4.279 3.960 -0.000 0.000 0.304 133 G C 0.279 175.216 174.900 0.063 0.000 1.210 133 G CA -0.796 44.338 45.100 0.057 0.000 0.960 133 G HN 0.732 nan 8.290 nan 0.000 0.497 134 N N -0.719 118.019 118.700 0.063 0.000 2.412 134 N HA -0.080 4.660 4.740 -0.000 0.000 0.254 134 N C 2.017 177.580 175.510 0.088 0.000 1.232 134 N CA 0.266 53.364 53.050 0.080 0.000 0.880 134 N CB 0.612 39.149 38.487 0.083 0.000 1.076 134 N HN 0.598 nan 8.380 nan 0.000 0.458 135 C N 1.440 120.805 119.300 0.108 0.000 2.391 135 C HA -0.186 4.273 4.460 -0.000 0.000 0.276 135 C C 2.688 177.790 174.990 0.186 0.000 1.217 135 C CA 1.435 60.522 59.018 0.116 0.000 1.766 135 C CB -1.948 25.842 27.740 0.084 0.000 2.046 135 C HN 0.869 nan 8.230 nan 0.000 0.475 136 T N 0.434 115.122 114.554 0.222 0.000 2.674 136 T HA -0.139 4.211 4.350 -0.000 0.000 0.265 136 T C 1.691 176.468 174.700 0.128 0.000 1.039 136 T CA 1.983 64.198 62.100 0.191 0.000 1.150 136 T CB -1.018 67.909 68.868 0.099 0.000 0.864 136 T HN 0.415 nan 8.240 nan 0.000 0.427 137 V N 1.599 121.558 119.914 0.075 0.000 2.295 137 V HA -0.159 3.961 4.120 -0.000 0.000 0.246 137 V C 3.097 179.189 176.094 -0.005 0.000 1.049 137 V CA 1.998 64.309 62.300 0.018 0.000 1.024 137 V CB -1.065 30.742 31.823 -0.025 0.000 0.648 137 V HN 0.654 nan 8.190 nan 0.000 0.447 138 S N -0.286 115.427 115.700 0.021 0.000 2.359 138 S HA -0.199 4.271 4.470 -0.000 0.000 0.223 138 S C 1.953 176.557 174.600 0.007 0.000 1.039 138 S CA 1.995 60.204 58.200 0.015 0.000 1.042 138 S CB -0.358 62.879 63.200 0.063 0.000 0.915 138 S HN 0.494 nan 8.310 nan 0.000 0.439 139 L N 0.896 122.155 121.223 0.060 0.000 2.056 139 L HA -0.093 4.247 4.340 -0.000 0.000 0.207 139 L C 2.767 179.666 176.870 0.049 0.000 1.078 139 L CA 1.776 56.655 54.840 0.065 0.000 0.749 139 L CB -0.549 41.584 42.059 0.124 0.000 0.901 139 L HN 0.486 nan 8.230 nan 0.000 0.433 140 M N 0.070 119.723 119.600 0.088 0.000 2.080 140 M HA -0.254 4.226 4.480 -0.000 0.000 0.260 140 M C 2.188 178.450 176.300 -0.063 0.000 1.068 140 M CA 1.957 57.306 55.300 0.081 0.000 1.109 140 M CB -0.071 32.614 32.600 0.141 0.000 1.342 140 M HN 0.200 nan 8.290 nan 0.000 0.405 141 L N -0.356 120.798 121.223 -0.115 0.000 2.217 141 L HA -0.172 4.168 4.340 -0.000 0.000 0.211 141 L C 2.579 179.345 176.870 -0.174 0.000 1.107 141 L CA 0.493 55.220 54.840 -0.189 0.000 0.783 141 L CB -0.606 41.300 42.059 -0.255 0.000 0.919 141 L HN 0.400 nan 8.230 nan 0.000 0.442 142 M N -0.646 118.856 119.600 -0.164 0.000 2.175 142 M HA -0.132 4.348 4.480 -0.000 0.000 0.264 142 M C 2.451 178.680 176.300 -0.119 0.000 1.063 142 M CA 1.523 56.696 55.300 -0.212 0.000 1.119 142 M CB -0.967 31.408 32.600 -0.375 0.000 1.377 142 M HN 0.135 nan 8.290 nan 0.000 0.415 143 S N 0.470 116.122 115.700 -0.080 0.000 2.348 143 S HA 0.085 4.555 4.470 -0.000 0.000 0.219 143 S C 1.729 176.280 174.600 -0.082 0.000 1.033 143 S CA 0.791 58.965 58.200 -0.042 0.000 0.974 143 S CB -0.118 63.083 63.200 0.000 0.000 0.868 143 S HN 0.432 nan 8.310 nan 0.000 0.459 144 L N 1.605 122.758 121.223 -0.117 0.000 2.653 144 L HA 0.258 4.598 4.340 -0.000 0.000 0.232 144 L C 2.195 179.008 176.870 -0.096 0.000 1.169 144 L CA -0.100 54.664 54.840 -0.126 0.000 0.951 144 L CB -0.795 41.162 42.059 -0.169 0.000 1.181 144 L HN 0.341 nan 8.230 nan 0.000 0.460 145 G N 1.087 109.724 108.800 -0.273 0.000 2.513 145 G HA2 -0.293 3.667 3.960 -0.000 0.000 0.219 145 G HA3 -0.293 3.667 3.960 -0.000 0.000 0.219 145 G C 1.558 176.059 174.900 -0.665 0.000 1.160 145 G CA 0.966 45.635 45.100 -0.718 0.000 0.767 145 G HN 0.488 nan 8.290 nan 0.000 0.571 146 G N 0.528 109.103 108.800 -0.375 0.000 2.450 146 G HA2 -0.149 3.811 3.960 -0.000 0.000 0.220 146 G HA3 -0.149 3.811 3.960 -0.000 0.000 0.220 146 G C 1.795 176.643 174.900 -0.087 0.000 1.130 146 G CA 0.800 45.867 45.100 -0.057 0.000 0.760 146 G HN 0.447 nan 8.290 nan 0.000 0.557 147 L N -1.083 120.035 121.223 -0.174 0.000 2.072 147 L HA 0.065 4.404 4.340 -0.000 0.000 0.205 147 L C 2.671 179.357 176.870 -0.307 0.000 1.079 147 L CA 0.752 55.424 54.840 -0.280 0.000 0.752 147 L CB -0.358 41.437 42.059 -0.440 0.000 0.906 147 L HN 0.152 nan 8.230 nan 0.000 0.436 148 F N -0.034 119.816 119.950 -0.166 0.000 2.163 148 F HA -0.117 4.410 4.527 -0.000 0.000 0.297 148 F C 2.634 178.385 175.800 -0.080 0.000 1.094 148 F CA 1.108 59.031 58.000 -0.129 0.000 1.290 148 F CB -0.799 38.113 39.000 -0.146 0.000 1.017 148 F HN -0.020 nan 8.300 nan 0.000 0.483 149 A N -0.199 122.692 122.820 0.119 0.000 2.024 149 A HA -0.176 4.144 4.320 -0.000 0.000 0.220 149 A C 1.704 179.326 177.584 0.063 0.000 1.164 149 A CA 1.725 53.834 52.037 0.119 0.000 0.643 149 A CB -0.660 18.476 19.000 0.226 0.000 0.806 149 A HN 0.390 nan 8.150 nan 0.000 0.451 150 N N -0.233 118.477 118.700 0.018 0.000 2.276 150 N HA 0.048 4.787 4.740 -0.000 0.000 0.212 150 N C -0.331 175.156 175.510 -0.039 0.000 1.127 150 N CA 0.684 53.727 53.050 -0.012 0.000 0.834 150 N CB 0.202 38.671 38.487 -0.030 0.000 1.014 150 N HN 0.481 nan 8.380 nan 0.000 0.491 151 D N 0.471 120.853 120.400 -0.031 0.000 2.701 151 D HA -0.189 4.451 4.640 -0.000 0.000 0.235 151 D C 0.553 176.794 176.300 -0.098 0.000 1.155 151 D CA 0.411 54.385 54.000 -0.044 0.000 0.649 151 D CB -1.046 39.741 40.800 -0.021 0.000 1.050 151 D HN 0.341 nan 8.370 nan 0.000 0.425 152 L N -0.985 120.143 121.223 -0.158 0.000 2.529 152 L HA 0.170 4.509 4.340 -0.000 0.000 0.223 152 L C 0.694 177.399 176.870 -0.275 0.000 1.113 152 L CA -0.078 54.643 54.840 -0.198 0.000 0.861 152 L CB 0.306 42.243 42.059 -0.204 0.000 1.012 152 L HN 0.015 nan 8.230 nan 0.000 0.461 153 V N 0.417 120.129 119.914 -0.336 0.000 2.461 153 V HA 0.011 4.130 4.120 -0.000 0.000 0.275 153 V C 0.641 176.592 176.094 -0.239 0.000 1.047 153 V CA 0.057 62.117 62.300 -0.401 0.000 0.955 153 V CB 1.585 32.996 31.823 -0.686 0.000 0.988 153 V HN 0.116 nan 8.190 nan 0.000 0.471 154 D N 4.052 124.282 120.400 -0.283 0.000 2.468 154 D HA 0.108 4.748 4.640 -0.000 0.000 0.243 154 D C 0.266 176.566 176.300 0.000 0.000 0.994 154 D CA 0.756 54.649 54.000 -0.178 0.000 0.932 154 D CB 0.504 41.114 40.800 -0.317 0.000 1.078 154 D HN 0.629 nan 8.370 nan 0.000 0.473 155 W N -0.683 120.556 121.300 -0.102 0.000 3.074 155 W HA 0.598 5.258 4.660 -0.000 0.000 0.332 155 W C -1.910 174.584 176.519 -0.041 0.000 1.253 155 W CA -0.996 56.321 57.345 -0.046 0.000 1.180 155 W CB 0.606 30.047 29.460 -0.031 0.000 1.445 155 W HN -0.346 nan 8.180 nan 0.000 0.573 156 V N 1.770 122.006 119.914 0.538 0.000 2.623 156 V HA 0.362 4.481 4.120 -0.000 0.000 0.304 156 V C -0.346 176.046 176.094 0.497 0.000 1.054 156 V CA -0.547 62.014 62.300 0.435 0.000 0.882 156 V CB 1.366 33.365 31.823 0.292 0.000 1.002 156 V HN 0.562 nan 8.190 nan 0.000 0.424 157 S N 3.643 119.665 115.700 0.536 0.000 2.451 157 S HA 0.837 5.306 4.470 -0.000 0.000 0.301 157 S C -0.719 174.048 174.600 0.277 0.000 1.116 157 S CA -0.387 58.018 58.200 0.342 0.000 1.093 157 S CB 1.278 64.691 63.200 0.354 0.000 1.017 157 S HN 0.536 nan 8.310 nan 0.000 0.482 158 V N 2.833 122.831 119.914 0.140 0.000 2.823 158 V HA 0.916 5.036 4.120 -0.000 0.000 0.312 158 V C -0.204 175.836 176.094 -0.091 0.000 1.072 158 V CA -0.937 61.357 62.300 -0.009 0.000 0.937 158 V CB 1.719 33.539 31.823 -0.004 0.000 1.013 158 V HN 1.020 nan 8.190 nan 0.000 0.430 159 A N 1.919 124.633 122.820 -0.176 0.000 2.375 159 A HA 0.763 5.083 4.320 -0.000 0.000 0.291 159 A C -0.066 177.390 177.584 -0.213 0.000 1.160 159 A CA -0.302 51.634 52.037 -0.168 0.000 0.747 159 A CB 1.161 20.109 19.000 -0.086 0.000 1.170 159 A HN 1.015 nan 8.150 nan 0.000 0.458 160 T N -0.904 113.499 114.554 -0.251 0.000 2.934 160 T HA 0.668 5.018 4.350 -0.000 0.000 0.283 160 T C -0.812 173.718 174.700 -0.283 0.000 1.005 160 T CA -0.299 61.684 62.100 -0.195 0.000 1.041 160 T CB 0.746 69.491 68.868 -0.205 0.000 1.042 160 T HN 0.394 nan 8.240 nan 0.000 0.505 161 Y N 0.809 121.004 120.300 -0.176 0.000 2.787 161 Y HA 0.372 4.922 4.550 -0.000 0.000 0.352 161 Y C 0.484 176.305 175.900 -0.132 0.000 1.027 161 Y CA -0.966 57.075 58.100 -0.098 0.000 1.219 161 Y CB 0.698 39.151 38.460 -0.011 0.000 1.110 161 Y HN 0.632 nan 8.280 nan 0.000 0.614 162 Q N 1.749 121.473 119.800 -0.126 0.000 2.261 162 Q HA 0.683 5.022 4.340 -0.000 0.000 0.252 162 Q C 0.025 176.044 176.000 0.032 0.000 0.915 162 Q CA -0.687 54.951 55.803 -0.275 0.000 0.915 162 Q CB 1.682 30.128 28.738 -0.486 0.000 1.204 162 Q HN 0.718 nan 8.270 nan 0.000 0.421 163 A N 1.624 124.628 122.820 0.307 0.000 2.332 163 A HA 0.439 4.759 4.320 -0.000 0.000 0.258 163 A C 0.976 178.717 177.584 0.262 0.000 1.087 163 A CA 0.331 52.532 52.037 0.274 0.000 0.802 163 A CB 0.414 19.574 19.000 0.265 0.000 1.042 163 A HN 0.942 nan 8.150 nan 0.000 0.489 164 A N 0.875 123.842 122.820 0.246 0.000 1.972 164 A HA -0.064 4.256 4.320 -0.000 0.000 0.219 164 A C 2.329 180.066 177.584 0.256 0.000 1.169 164 A CA 2.229 54.499 52.037 0.388 0.000 0.635 164 A CB -1.161 18.099 19.000 0.433 0.000 0.810 164 A HN 1.703 nan 8.150 nan 0.000 0.446 165 S N -0.320 115.477 115.700 0.163 0.000 2.419 165 S HA -0.062 4.408 4.470 -0.000 0.000 0.235 165 S C 1.896 176.520 174.600 0.040 0.000 1.019 165 S CA 1.313 59.559 58.200 0.077 0.000 0.982 165 S CB -1.101 62.123 63.200 0.039 0.000 0.789 165 S HN 0.702 nan 8.310 nan 0.000 0.490 166 G N 1.060 109.921 108.800 0.103 0.000 2.443 166 G HA2 0.177 4.136 3.960 -0.000 0.000 0.219 166 G HA3 0.177 4.136 3.960 -0.000 0.000 0.219 166 G C 1.257 176.145 174.900 -0.019 0.000 1.131 166 G CA 0.544 45.703 45.100 0.099 0.000 0.775 166 G HN 0.646 nan 8.290 nan 0.000 0.547 167 G N -0.394 108.320 108.800 -0.142 0.000 2.408 167 G HA2 0.444 4.404 3.960 -0.000 0.000 0.213 167 G HA3 0.444 4.404 3.960 -0.000 0.000 0.213 167 G C 0.710 175.139 174.900 -0.785 0.000 1.177 167 G CA 0.969 45.660 45.100 -0.682 0.000 0.802 167 G HN 1.205 nan 8.290 nan 0.000 0.533 168 G N -2.326 106.234 108.800 -0.399 0.000 2.356 168 G HA2 0.493 4.453 3.960 -0.000 0.000 0.300 168 G HA3 0.493 4.453 3.960 -0.000 0.000 0.300 168 G C 0.578 175.529 174.900 0.084 0.000 1.331 168 G CA 0.175 45.234 45.100 -0.069 0.000 0.905 168 G HN 0.831 nan 8.290 nan 0.000 0.587 169 A N -0.319 122.548 122.820 0.079 0.000 1.933 169 A HA 0.033 4.352 4.320 -0.000 0.000 0.218 169 A C 2.322 179.954 177.584 0.081 0.000 1.175 169 A CA 2.128 54.206 52.037 0.068 0.000 0.628 169 A CB -0.381 18.640 19.000 0.036 0.000 0.814 169 A HN 0.647 nan 8.150 nan 0.000 0.444 170 R N -1.264 119.290 120.500 0.090 0.000 2.081 170 R HA -0.132 4.208 4.340 -0.000 0.000 0.235 170 R C 2.072 178.334 176.300 -0.063 0.000 1.131 170 R CA 1.684 57.778 56.100 -0.009 0.000 0.960 170 R CB -0.604 29.641 30.300 -0.092 0.000 0.856 170 R HN 0.685 nan 8.270 nan 0.000 0.436 171 H N 0.471 119.429 119.070 -0.188 0.000 2.352 171 H HA -0.087 4.469 4.556 -0.000 0.000 0.299 171 H C 2.089 177.430 175.328 0.022 0.000 1.097 171 H CA 1.778 57.626 56.048 -0.332 0.000 1.311 171 H CB -0.253 29.178 29.762 -0.552 0.000 1.377 171 H HN 0.134 nan 8.280 nan 0.000 0.504 172 M N 0.001 119.722 119.600 0.203 0.000 2.117 172 M HA -0.138 4.341 4.480 -0.000 0.000 0.262 172 M C 2.226 178.606 176.300 0.134 0.000 1.065 172 M CA 1.573 56.982 55.300 0.182 0.000 1.114 172 M CB -0.165 32.512 32.600 0.128 0.000 1.361 172 M HN 0.185 nan 8.290 nan 0.000 0.408 173 R N 0.192 120.744 120.500 0.087 0.000 2.073 173 R HA -0.176 4.163 4.340 -0.000 0.000 0.234 173 R C 2.165 178.511 176.300 0.076 0.000 1.134 173 R CA 1.741 57.880 56.100 0.065 0.000 0.952 173 R CB -0.592 29.729 30.300 0.034 0.000 0.850 173 R HN 0.486 nan 8.270 nan 0.000 0.433 174 E N 1.001 121.236 120.200 0.058 0.000 2.058 174 E HA -0.237 4.113 4.350 -0.000 0.000 0.194 174 E C 1.977 178.662 176.600 0.142 0.000 0.997 174 E CA 1.192 57.632 56.400 0.067 0.000 0.801 174 E CB -0.038 29.660 29.700 -0.002 0.000 0.746 174 E HN 0.135 nan 8.360 nan 0.000 0.450 175 L N 0.839 122.189 121.223 0.212 0.000 1.989 175 L HA -0.190 4.150 4.340 -0.000 0.000 0.211 175 L C 2.192 179.148 176.870 0.143 0.000 1.071 175 L CA 1.732 56.696 54.840 0.206 0.000 0.749 175 L CB -0.568 41.632 42.059 0.236 0.000 0.890 175 L HN 0.235 nan 8.230 nan 0.000 0.431 176 L N -1.086 120.213 121.223 0.127 0.000 2.046 176 L HA -0.212 4.128 4.340 -0.000 0.000 0.208 176 L C 2.369 179.309 176.870 0.118 0.000 1.077 176 L CA 1.766 56.668 54.840 0.104 0.000 0.747 176 L CB -1.144 40.966 42.059 0.084 0.000 0.896 176 L HN 0.311 nan 8.230 nan 0.000 0.432 177 T N -0.879 113.753 114.554 0.131 0.000 2.708 177 T HA -0.227 4.123 4.350 -0.000 0.000 0.266 177 T C 1.889 176.762 174.700 0.288 0.000 1.037 177 T CA 1.325 63.534 62.100 0.183 0.000 1.146 177 T CB -0.212 68.759 68.868 0.172 0.000 0.865 177 T HN 0.400 nan 8.240 nan 0.000 0.435 178 Q N 0.294 120.207 119.800 0.189 0.000 2.181 178 Q HA -0.004 4.336 4.340 -0.000 0.000 0.205 178 Q C 2.331 178.443 176.000 0.186 0.000 0.980 178 Q CA 1.133 57.024 55.803 0.146 0.000 0.862 178 Q CB -0.331 28.444 28.738 0.062 0.000 0.905 178 Q HN 0.528 nan 8.270 nan 0.000 0.429 179 M N -0.243 119.453 119.600 0.160 0.000 2.229 179 M HA -0.098 4.381 4.480 -0.000 0.000 0.264 179 M C 2.114 178.527 176.300 0.188 0.000 1.063 179 M CA 1.331 56.720 55.300 0.148 0.000 1.114 179 M CB -0.301 32.364 32.600 0.108 0.000 1.387 179 M HN 0.343 nan 8.290 nan 0.000 0.420 180 G N -0.792 108.122 108.800 0.189 0.000 2.404 180 G HA2 -0.212 3.747 3.960 -0.000 0.000 0.215 180 G HA3 -0.212 3.747 3.960 -0.000 0.000 0.215 180 G C 0.960 175.960 174.900 0.168 0.000 1.174 180 G CA 0.866 46.065 45.100 0.164 0.000 0.780 180 G HN 0.413 nan 8.290 nan 0.000 0.537 181 H N 0.381 119.511 119.070 0.100 0.000 2.293 181 H HA 0.048 4.604 4.556 -0.000 0.000 0.300 181 H C 2.680 178.058 175.328 0.084 0.000 1.082 181 H CA 1.383 57.474 56.048 0.073 0.000 1.308 181 H CB -0.296 29.483 29.762 0.029 0.000 1.375 181 H HN 0.207 nan 8.280 nan 0.000 0.495 182 L N -0.708 120.650 121.223 0.225 0.000 2.079 182 L HA -0.235 4.105 4.340 -0.000 0.000 0.210 182 L C 2.232 179.206 176.870 0.173 0.000 1.081 182 L CA 1.531 56.469 54.840 0.163 0.000 0.752 182 L CB -0.540 41.601 42.059 0.136 0.000 0.896 182 L HN 0.332 nan 8.230 nan 0.000 0.433 183 Y N 0.958 121.318 120.300 0.101 0.000 2.130 183 Y HA -0.097 4.453 4.550 -0.000 0.000 0.287 183 Y C 2.434 178.379 175.900 0.074 0.000 1.124 183 Y CA 1.449 59.595 58.100 0.076 0.000 1.118 183 Y CB -0.814 37.678 38.460 0.054 0.000 0.994 183 Y HN 0.024 nan 8.280 nan 0.000 0.497 184 G N -0.841 107.917 108.800 -0.069 0.000 2.529 184 G HA2 -0.443 3.516 3.960 -0.000 0.000 0.219 184 G HA3 -0.443 3.516 3.960 -0.000 0.000 0.219 184 G C 1.449 176.258 174.900 -0.151 0.000 1.177 184 G CA 1.531 46.540 45.100 -0.152 0.000 0.773 184 G HN 0.643 nan 8.290 nan 0.000 0.573 185 H N -0.387 118.614 119.070 -0.115 0.000 2.523 185 H HA -0.023 4.533 4.556 -0.000 0.000 0.296 185 H C 1.371 176.633 175.328 -0.109 0.000 1.106 185 H CA 1.575 57.578 56.048 -0.076 0.000 1.230 185 H CB 0.103 29.855 29.762 -0.015 0.000 1.359 185 H HN 0.176 nan 8.280 nan 0.000 0.552 186 V N -0.848 118.945 119.914 -0.201 0.000 3.261 186 V HA 0.293 4.413 4.120 -0.000 0.000 0.330 186 V C 1.677 177.596 176.094 -0.292 0.000 1.461 186 V CA 0.477 62.639 62.300 -0.229 0.000 1.127 186 V CB 0.315 32.072 31.823 -0.110 0.000 1.044 186 V HN 0.519 nan 8.190 nan 0.000 0.499 187 A N 0.746 123.299 122.820 -0.446 0.000 1.902 187 A HA -0.199 4.120 4.320 -0.000 0.000 0.217 187 A C 1.755 179.227 177.584 -0.187 0.000 1.181 187 A CA 2.440 54.189 52.037 -0.481 0.000 0.623 187 A CB -0.352 18.307 19.000 -0.568 0.000 0.818 187 A HN 0.549 nan 8.150 nan 0.000 0.443 188 D N 0.510 120.821 120.400 -0.148 0.000 2.127 188 D HA -0.216 4.424 4.640 -0.000 0.000 0.190 188 D C 2.027 178.288 176.300 -0.065 0.000 1.000 188 D CA 1.752 55.702 54.000 -0.084 0.000 0.839 188 D CB -0.278 40.471 40.800 -0.084 0.000 0.955 188 D HN 0.705 nan 8.370 nan 0.000 0.446 189 E N 0.903 121.056 120.200 -0.079 0.000 2.152 189 E HA -0.113 4.236 4.350 -0.000 0.000 0.192 189 E C 2.309 178.889 176.600 -0.033 0.000 0.983 189 E CA 0.394 56.762 56.400 -0.053 0.000 0.818 189 E CB -0.638 29.027 29.700 -0.058 0.000 0.758 189 E HN 0.359 nan 8.360 nan 0.000 0.467 190 L N 0.765 121.963 121.223 -0.042 0.000 2.191 190 L HA -0.098 4.242 4.340 -0.000 0.000 0.212 190 L C 2.485 179.369 176.870 0.024 0.000 1.103 190 L CA 1.183 56.024 54.840 0.002 0.000 0.769 190 L CB -0.368 41.705 42.059 0.023 0.000 0.908 190 L HN 0.169 nan 8.230 nan 0.000 0.438 191 A N -1.495 121.333 122.820 0.012 0.000 2.169 191 A HA 0.013 4.333 4.320 -0.000 0.000 0.212 191 A C 1.017 178.607 177.584 0.011 0.000 1.153 191 A CA 0.506 52.556 52.037 0.023 0.000 0.756 191 A CB -0.262 18.752 19.000 0.022 0.000 0.813 191 A HN 0.271 nan 8.150 nan 0.000 0.471 192 T N 1.775 116.329 114.554 0.000 0.000 2.811 192 T HA 0.350 4.700 4.350 -0.000 0.000 0.309 192 T C -2.008 172.693 174.700 0.002 0.000 1.005 192 T CA -1.029 61.070 62.100 -0.002 0.000 0.955 192 T CB 1.371 70.233 68.868 -0.010 0.000 0.970 192 T HN 0.069 nan 8.240 nan 0.000 0.496 193 P HA -0.172 nan 4.420 nan 0.000 0.216 193 P C 1.820 179.123 177.300 0.004 0.000 1.150 193 P CA 0.973 64.078 63.100 0.007 0.000 0.843 193 P CB 0.077 31.782 31.700 0.008 0.000 0.787 194 S N -1.060 114.641 115.700 0.001 0.000 2.447 194 S HA -0.066 4.404 4.470 -0.000 0.000 0.233 194 S C 1.105 175.703 174.600 -0.002 0.000 1.006 194 S CA 0.361 58.561 58.200 -0.000 0.000 0.957 194 S CB -1.511 61.688 63.200 -0.001 0.000 0.773 194 S HN 0.267 nan 8.310 nan 0.000 0.507 195 S N 1.714 117.411 115.700 -0.005 0.000 2.559 195 S HA 0.444 4.914 4.470 -0.000 0.000 0.282 195 S C 0.114 174.712 174.600 -0.004 0.000 1.336 195 S CA -0.368 57.827 58.200 -0.008 0.000 1.037 195 S CB 0.284 63.476 63.200 -0.014 0.000 0.853 195 S HN 0.805 nan 8.310 nan 0.000 0.523 196 A N 3.062 125.878 122.820 -0.006 0.000 2.289 196 A HA 0.494 4.814 4.320 -0.000 0.000 0.298 196 A C 0.976 178.560 177.584 -0.000 0.000 1.208 196 A CA -0.817 51.219 52.037 -0.002 0.000 0.845 196 A CB -0.073 18.925 19.000 -0.002 0.000 1.125 196 A HN 1.067 nan 8.150 nan 0.000 0.517 197 I N 2.531 123.103 120.570 0.005 0.000 2.151 197 I HA -0.268 3.902 4.170 -0.000 0.000 0.243 197 I C 1.861 177.984 176.117 0.010 0.000 1.080 197 I CA 1.596 62.902 61.300 0.009 0.000 1.339 197 I CB 0.038 38.045 38.000 0.012 0.000 1.039 197 I HN 0.790 nan 8.210 nan 0.000 0.409 198 L N 0.133 121.361 121.223 0.008 0.000 2.187 198 L HA -0.242 4.098 4.340 -0.000 0.000 0.213 198 L C 2.035 178.910 176.870 0.009 0.000 1.100 198 L CA 1.120 55.966 54.840 0.010 0.000 0.765 198 L CB -0.825 41.239 42.059 0.008 0.000 0.904 198 L HN 0.348 nan 8.230 nan 0.000 0.437 199 D N 0.351 120.753 120.400 0.003 0.000 2.103 199 D HA -0.124 4.516 4.640 -0.000 0.000 0.199 199 D C 2.114 178.412 176.300 -0.003 0.000 0.978 199 D CA 1.492 55.491 54.000 -0.002 0.000 0.829 199 D CB 0.002 40.795 40.800 -0.011 0.000 0.981 199 D HN 0.421 nan 8.370 nan 0.000 0.464 200 I N 0.136 120.702 120.570 -0.005 0.000 2.226 200 I HA -0.143 4.026 4.170 -0.000 0.000 0.245 200 I C 2.107 178.238 176.117 0.024 0.000 1.100 200 I CA 1.428 62.724 61.300 -0.006 0.000 1.374 200 I CB -0.645 37.350 38.000 -0.008 0.000 1.057 200 I HN -0.160 nan 8.210 nan 0.000 0.413 201 E N 2.016 122.232 120.200 0.026 0.000 2.051 201 E HA -0.314 4.036 4.350 -0.000 0.000 0.192 201 E C 2.462 179.087 176.600 0.043 0.000 0.991 201 E CA 1.596 58.017 56.400 0.036 0.000 0.799 201 E CB -0.332 29.384 29.700 0.028 0.000 0.748 201 E HN 0.626 nan 8.360 nan 0.000 0.449 202 R N 0.572 121.093 120.500 0.035 0.000 2.103 202 R HA -0.152 4.188 4.340 -0.000 0.000 0.242 202 R C 2.525 178.864 176.300 0.065 0.000 1.142 202 R CA 1.933 58.057 56.100 0.039 0.000 0.960 202 R CB -0.016 30.301 30.300 0.028 0.000 0.858 202 R HN 0.086 nan 8.270 nan 0.000 0.439 203 K N -0.058 120.393 120.400 0.084 0.000 2.032 203 K HA -0.139 4.181 4.320 -0.000 0.000 0.209 203 K C 2.098 178.842 176.600 0.239 0.000 1.048 203 K CA 1.930 58.329 56.287 0.185 0.000 0.927 203 K CB -0.283 32.272 32.500 0.092 0.000 0.712 203 K HN 0.224 nan 8.250 nan 0.000 0.441 204 V N -0.715 119.303 119.914 0.174 0.000 2.343 204 V HA -0.206 3.914 4.120 -0.000 0.000 0.247 204 V C 2.014 178.134 176.094 0.045 0.000 1.051 204 V CA 2.136 64.506 62.300 0.117 0.000 1.036 204 V CB -1.240 30.641 31.823 0.095 0.000 0.654 204 V HN 0.176 nan 8.190 nan 0.000 0.451 205 T N 0.536 115.117 114.554 0.045 0.000 2.746 205 T HA -0.154 4.196 4.350 -0.000 0.000 0.267 205 T C 1.958 176.664 174.700 0.011 0.000 1.039 205 T CA 2.311 64.425 62.100 0.024 0.000 1.142 205 T CB -0.617 68.267 68.868 0.026 0.000 0.866 205 T HN 0.665 nan 8.240 nan 0.000 0.444 206 T N 2.423 116.990 114.554 0.022 0.000 2.737 206 T HA -0.019 4.331 4.350 -0.000 0.000 0.265 206 T C 1.909 176.588 174.700 -0.036 0.000 1.038 206 T CA 0.864 62.970 62.100 0.010 0.000 1.144 206 T CB -0.496 68.399 68.868 0.045 0.000 0.866 206 T HN 0.133 nan 8.240 nan 0.000 0.434 207 L N 1.360 122.523 121.223 -0.099 0.000 2.042 207 L HA -0.101 4.239 4.340 -0.000 0.000 0.210 207 L C 2.399 179.195 176.870 -0.124 0.000 1.076 207 L CA 1.900 56.605 54.840 -0.225 0.000 0.749 207 L CB -1.369 40.377 42.059 -0.523 0.000 0.893 207 L HN 0.189 nan 8.230 nan 0.000 0.432 208 T N -0.347 114.163 114.554 -0.074 0.000 2.759 208 T HA -0.193 4.157 4.350 -0.000 0.000 0.269 208 T C 1.887 176.563 174.700 -0.040 0.000 1.042 208 T CA 1.781 63.853 62.100 -0.046 0.000 1.140 208 T CB -0.228 68.629 68.868 -0.019 0.000 0.864 208 T HN 0.395 nan 8.240 nan 0.000 0.455 209 R N 0.965 121.445 120.500 -0.033 0.000 2.300 209 R HA 0.118 4.458 4.340 -0.000 0.000 0.199 209 R C 2.714 178.997 176.300 -0.028 0.000 0.920 209 R CA 0.620 56.705 56.100 -0.024 0.000 1.046 209 R CB -0.019 30.273 30.300 -0.013 0.000 0.984 209 R HN 0.452 nan 8.270 nan 0.000 0.493 210 S N -0.401 115.274 115.700 -0.042 0.000 2.382 210 S HA -0.062 4.408 4.470 -0.000 0.000 0.228 210 S C 1.697 176.276 174.600 -0.034 0.000 1.027 210 S CA 1.180 59.357 58.200 -0.038 0.000 0.991 210 S CB -0.061 63.105 63.200 -0.056 0.000 0.823 210 S HN 0.461 nan 8.310 nan 0.000 0.469 211 G N 0.676 109.451 108.800 -0.043 0.000 2.195 211 G HA2 -0.246 3.714 3.960 -0.000 0.000 0.224 211 G HA3 -0.246 3.714 3.960 -0.000 0.000 0.224 211 G C 0.626 175.498 174.900 -0.048 0.000 0.990 211 G CA 0.376 45.453 45.100 -0.039 0.000 0.639 211 G HN 0.543 nan 8.290 nan 0.000 0.514 212 E N -0.260 119.907 120.200 -0.054 0.000 2.047 212 E HA 0.064 4.414 4.350 -0.000 0.000 0.191 212 E C 0.861 177.391 176.600 -0.118 0.000 0.987 212 E CA 0.448 56.818 56.400 -0.050 0.000 0.799 212 E CB -0.007 29.680 29.700 -0.022 0.000 0.752 212 E HN 0.418 nan 8.360 nan 0.000 0.449 213 L N 2.919 124.034 121.223 -0.181 0.000 2.615 213 L HA -0.040 4.300 4.340 -0.000 0.000 0.284 213 L C -1.960 174.781 176.870 -0.214 0.000 1.237 213 L CA -0.401 54.253 54.840 -0.310 0.000 0.905 213 L CB -0.426 41.511 42.059 -0.203 0.000 1.149 213 L HN 0.015 nan 8.230 nan 0.000 0.499 214 P HA 0.070 nan 4.420 nan 0.000 0.275 214 P C -0.079 177.179 177.300 -0.070 0.000 1.276 214 P CA -0.089 62.939 63.100 -0.120 0.000 0.782 214 P CB 0.828 32.472 31.700 -0.094 0.000 0.851 215 V N -0.125 119.761 119.914 -0.047 0.000 2.909 215 V HA 0.200 4.320 4.120 -0.000 0.000 0.362 215 V C 0.944 177.019 176.094 -0.032 0.000 1.356 215 V CA -0.128 62.167 62.300 -0.007 0.000 1.195 215 V CB -0.027 31.804 31.823 0.014 0.000 1.256 215 V HN 0.206 nan 8.190 nan 0.000 0.567 216 D N 1.509 121.866 120.400 -0.072 0.000 2.178 216 D HA -0.149 4.491 4.640 -0.000 0.000 0.201 216 D C 1.439 177.645 176.300 -0.158 0.000 0.980 216 D CA 1.598 55.541 54.000 -0.095 0.000 0.842 216 D CB 0.235 40.977 40.800 -0.097 0.000 0.948 216 D HN 0.560 nan 8.370 nan 0.000 0.472 217 N N -0.257 118.276 118.700 -0.278 0.000 2.368 217 N HA -0.026 4.714 4.740 -0.000 0.000 0.178 217 N C 1.329 176.575 175.510 -0.441 0.000 1.021 217 N CA 0.409 53.120 53.050 -0.566 0.000 0.875 217 N CB -0.074 37.747 38.487 -1.109 0.000 1.020 217 N HN 0.121 nan 8.380 nan 0.000 0.433 218 F N 0.310 120.217 119.950 -0.072 0.000 2.749 218 F HA 0.292 4.818 4.527 -0.000 0.000 0.300 218 F C 1.958 177.768 175.800 0.016 0.000 1.103 218 F CA 0.243 58.263 58.000 0.032 0.000 1.342 218 F CB -0.055 38.979 39.000 0.056 0.000 1.098 218 F HN 0.110 nan 8.300 nan 0.000 0.586 219 G N 0.205 109.083 108.800 0.129 0.000 2.708 219 G HA2 -0.296 3.663 3.960 -0.000 0.000 0.229 219 G HA3 -0.296 3.663 3.960 -0.000 0.000 0.229 219 G C 0.292 175.228 174.900 0.060 0.000 1.236 219 G CA 0.398 45.541 45.100 0.071 0.000 0.749 219 G HN 0.559 nan 8.290 nan 0.000 0.515 220 V N -2.594 117.375 119.914 0.092 0.000 3.074 220 V HA 0.865 4.984 4.120 -0.000 0.000 0.314 220 V C -2.634 173.498 176.094 0.064 0.000 1.117 220 V CA -2.504 59.827 62.300 0.051 0.000 1.014 220 V CB 1.671 33.511 31.823 0.029 0.000 1.057 220 V HN 0.164 nan 8.190 nan 0.000 0.438 221 P HA 0.239 nan 4.420 nan 0.000 0.267 221 P C -0.032 177.265 177.300 -0.005 0.000 1.200 221 P CA 0.088 63.200 63.100 0.019 0.000 0.772 221 P CB 0.846 32.544 31.700 -0.004 0.000 0.855 222 L N 3.304 124.523 121.223 -0.008 0.000 2.586 222 L HA 0.422 4.762 4.340 -0.000 0.000 0.204 222 L C 0.664 177.516 176.870 -0.031 0.000 1.053 222 L CA 0.652 55.440 54.840 -0.087 0.000 0.856 222 L CB -0.869 41.062 42.059 -0.213 0.000 1.192 222 L HN 0.305 nan 8.230 nan 0.000 0.484 223 A N 0.020 122.851 122.820 0.018 0.000 2.548 223 A HA 0.397 4.717 4.320 -0.000 0.000 0.247 223 A C 1.469 179.071 177.584 0.030 0.000 1.067 223 A CA 0.614 52.674 52.037 0.038 0.000 0.757 223 A CB -1.088 17.951 19.000 0.066 0.000 0.996 223 A HN 1.205 nan 8.150 nan 0.000 0.504 224 G N 1.027 109.847 108.800 0.034 0.000 2.189 224 G HA2 -0.196 3.764 3.960 -0.000 0.000 0.267 224 G HA3 -0.196 3.764 3.960 -0.000 0.000 0.267 224 G C 0.543 175.454 174.900 0.018 0.000 0.975 224 G CA 1.120 46.240 45.100 0.033 0.000 0.644 224 G HN 1.690 nan 8.290 nan 0.000 0.537 225 S N -1.522 114.180 115.700 0.002 0.000 2.911 225 S HA 0.950 5.420 4.470 -0.000 0.000 0.319 225 S C -1.151 173.429 174.600 -0.035 0.000 1.154 225 S CA 0.156 58.349 58.200 -0.012 0.000 0.857 225 S CB 1.265 64.455 63.200 -0.017 0.000 1.279 225 S HN 1.657 nan 8.310 nan 0.000 0.593 226 L N -0.631 120.563 121.223 -0.048 0.000 2.710 226 L HA 0.708 5.048 4.340 -0.000 0.000 0.260 226 L C -1.643 175.187 176.870 -0.066 0.000 0.993 226 L CA -0.665 54.130 54.840 -0.075 0.000 0.877 226 L CB 1.164 43.184 42.059 -0.065 0.000 1.461 226 L HN 0.562 nan 8.230 nan 0.000 0.413 227 I N 1.872 122.395 120.570 -0.080 0.000 2.448 227 I HA 0.389 4.559 4.170 -0.000 0.000 0.281 227 I C -1.980 174.142 176.117 0.008 0.000 1.027 227 I CA -1.244 60.044 61.300 -0.021 0.000 1.111 227 I CB 2.329 40.317 38.000 -0.021 0.000 1.236 227 I HN 0.548 nan 8.210 nan 0.000 0.452 228 P HA -0.025 nan 4.420 nan 0.000 0.269 228 P C -0.799 176.571 177.300 0.118 0.000 1.601 228 P CA 0.414 63.530 63.100 0.027 0.000 0.831 228 P CB -0.193 31.520 31.700 0.022 0.000 1.688 229 W N 1.446 122.726 121.300 -0.033 0.000 3.775 229 W HA 0.271 4.931 4.660 -0.000 0.000 0.315 229 W C -2.044 174.481 176.519 0.010 0.000 1.169 229 W CA -0.661 56.679 57.345 -0.008 0.000 1.266 229 W CB 1.507 30.968 29.460 0.002 0.000 1.269 229 W HN -0.269 nan 8.180 nan 0.000 0.471 230 I N 7.371 128.042 120.570 0.169 0.000 2.382 230 I HA 0.160 4.330 4.170 -0.000 0.000 0.285 230 I C 0.508 176.772 176.117 0.246 0.000 1.007 230 I CA -0.079 61.337 61.300 0.192 0.000 1.142 230 I CB 0.815 38.854 38.000 0.066 0.000 1.289 230 I HN 0.601 nan 8.210 nan 0.000 0.453 231 D N 6.136 126.718 120.400 0.302 0.000 5.134 231 D HA -0.237 4.403 4.640 -0.000 0.000 0.314 231 D C -0.300 176.192 176.300 0.321 0.000 2.492 231 D CA 0.298 54.447 54.000 0.249 0.000 1.177 231 D CB 0.129 41.025 40.800 0.160 0.000 1.155 231 D HN 0.309 nan 8.370 nan 0.000 1.318 232 K N 0.451 120.972 120.400 0.202 0.000 2.526 232 K HA -0.196 4.124 4.320 -0.000 0.000 0.267 232 K C 0.472 177.255 176.600 0.303 0.000 1.009 232 K CA 0.763 57.159 56.287 0.182 0.000 1.120 232 K CB -0.357 32.191 32.500 0.079 0.000 0.797 232 K HN 0.539 nan 8.250 nan 0.000 0.476 233 Q N 3.762 123.735 119.800 0.288 0.000 2.279 233 Q HA 0.163 4.503 4.340 -0.000 0.000 0.256 233 Q C -0.375 175.742 176.000 0.195 0.000 0.937 233 Q CA -0.574 55.476 55.803 0.410 0.000 0.933 233 Q CB 0.673 29.580 28.738 0.283 0.000 1.189 233 Q HN 0.309 nan 8.270 nan 0.000 0.417 234 L N 3.429 124.750 121.223 0.165 0.000 2.454 234 L HA 0.148 4.488 4.340 -0.000 0.000 0.256 234 L C 0.554 177.465 176.870 0.068 0.000 1.136 234 L CA 0.180 55.050 54.840 0.050 0.000 0.804 234 L CB 0.945 43.004 42.059 0.001 0.000 1.181 234 L HN 0.828 nan 8.230 nan 0.000 0.469 235 D N -0.630 119.786 120.400 0.026 0.000 2.312 235 D HA -0.127 4.513 4.640 -0.000 0.000 0.211 235 D C 1.295 177.623 176.300 0.047 0.000 0.964 235 D CA 0.852 54.872 54.000 0.034 0.000 0.877 235 D CB -0.046 40.762 40.800 0.013 0.000 0.924 235 D HN 0.626 nan 8.370 nan 0.000 0.515 236 N N -0.860 117.873 118.700 0.054 0.000 2.322 236 N HA 0.082 4.822 4.740 -0.000 0.000 0.194 236 N C 1.301 176.845 175.510 0.056 0.000 1.126 236 N CA 0.405 53.490 53.050 0.058 0.000 0.845 236 N CB 0.574 39.107 38.487 0.077 0.000 0.976 236 N HN 0.137 nan 8.380 nan 0.000 0.475 237 G N 0.243 109.088 108.800 0.075 0.000 2.258 237 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.233 237 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.233 237 G C -0.064 174.832 174.900 -0.008 0.000 1.006 237 G CA -0.154 44.990 45.100 0.073 0.000 0.620 237 G HN 0.453 nan 8.290 nan 0.000 0.511 238 Q N 1.153 120.946 119.800 -0.013 0.000 2.354 238 Q HA 0.543 4.882 4.340 -0.000 0.000 0.244 238 Q C 0.894 176.819 176.000 -0.125 0.000 0.969 238 Q CA 0.279 56.027 55.803 -0.093 0.000 0.885 238 Q CB 1.207 29.968 28.738 0.038 0.000 1.241 238 Q HN 0.647 nan 8.270 nan 0.000 0.461 239 S N 0.356 115.866 115.700 -0.317 0.000 2.645 239 S HA 0.207 4.676 4.470 -0.000 0.000 0.266 239 S C 0.735 175.339 174.600 0.006 0.000 1.258 239 S CA -0.641 57.416 58.200 -0.239 0.000 0.990 239 S CB 1.411 64.258 63.200 -0.590 0.000 0.967 239 S HN 0.781 nan 8.310 nan 0.000 0.556 240 R N 0.139 120.690 120.500 0.085 0.000 2.148 240 R HA -0.002 4.337 4.340 -0.000 0.000 0.223 240 R C 2.040 178.449 176.300 0.182 0.000 1.088 240 R CA 1.224 57.396 56.100 0.120 0.000 0.985 240 R CB -0.234 30.107 30.300 0.069 0.000 0.880 240 R HN 0.851 nan 8.270 nan 0.000 0.451 241 E N 0.129 120.389 120.200 0.100 0.000 2.208 241 E HA -0.167 4.183 4.350 -0.000 0.000 0.193 241 E C 1.422 178.058 176.600 0.060 0.000 0.988 241 E CA 1.011 57.463 56.400 0.086 0.000 0.828 241 E CB 0.222 29.948 29.700 0.043 0.000 0.763 241 E HN 0.467 nan 8.360 nan 0.000 0.478 242 E N -0.398 119.812 120.200 0.018 0.000 2.152 242 E HA -0.167 4.183 4.350 -0.000 0.000 0.192 242 E C 1.547 178.179 176.600 0.053 0.000 0.983 242 E CA 0.683 57.076 56.400 -0.011 0.000 0.818 242 E CB -0.146 29.500 29.700 -0.090 0.000 0.758 242 E HN 0.314 nan 8.360 nan 0.000 0.467 243 W N 2.195 123.463 121.300 -0.053 0.000 2.363 243 W HA -0.145 4.515 4.660 -0.000 0.000 0.296 243 W C 1.568 178.080 176.519 -0.013 0.000 1.212 243 W CA 1.344 58.672 57.345 -0.029 0.000 1.260 243 W CB 0.161 29.611 29.460 -0.017 0.000 1.131 243 W HN -0.162 nan 8.180 nan 0.000 0.530 244 K N -0.125 120.370 120.400 0.158 0.000 2.209 244 K HA -0.112 4.208 4.320 -0.000 0.000 0.204 244 K C 2.302 178.808 176.600 -0.157 0.000 1.048 244 K CA 1.153 57.434 56.287 -0.011 0.000 0.940 244 K CB -0.833 31.754 32.500 0.145 0.000 0.729 244 K HN 0.353 nan 8.250 nan 0.000 0.451 245 G N 1.507 110.242 108.800 -0.109 0.000 2.514 245 G HA2 -0.356 3.604 3.960 -0.000 0.000 0.217 245 G HA3 -0.356 3.604 3.960 -0.000 0.000 0.217 245 G C 1.417 176.223 174.900 -0.156 0.000 1.198 245 G CA 1.011 46.057 45.100 -0.091 0.000 0.780 245 G HN 0.371 nan 8.290 nan 0.000 0.565 246 Q N -0.109 119.548 119.800 -0.238 0.000 2.096 246 Q HA 0.181 4.520 4.340 -0.000 0.000 0.197 246 Q C 2.833 178.634 176.000 -0.332 0.000 0.964 246 Q CA 1.217 56.874 55.803 -0.244 0.000 0.838 246 Q CB -0.263 28.337 28.738 -0.232 0.000 0.906 246 Q HN 0.390 nan 8.270 nan 0.000 0.444 247 A N 1.088 123.559 122.820 -0.581 0.000 1.877 247 A HA -0.223 4.096 4.320 -0.000 0.000 0.216 247 A C 1.810 179.211 177.584 -0.304 0.000 1.186 247 A CA 1.759 53.450 52.037 -0.576 0.000 0.620 247 A CB -0.535 17.749 19.000 -1.193 0.000 0.822 247 A HN 0.523 nan 8.150 nan 0.000 0.443 248 E N -1.157 118.890 120.200 -0.255 0.000 2.158 248 E HA -0.080 4.270 4.350 -0.000 0.000 0.191 248 E C 2.050 178.567 176.600 -0.138 0.000 0.982 248 E CA 1.236 57.555 56.400 -0.134 0.000 0.823 248 E CB -0.236 29.420 29.700 -0.074 0.000 0.766 248 E HN 0.571 nan 8.360 nan 0.000 0.468 249 T N 1.465 115.915 114.554 -0.173 0.000 2.708 249 T HA -0.116 4.234 4.350 -0.000 0.000 0.266 249 T C 1.637 176.219 174.700 -0.196 0.000 1.037 249 T CA 1.017 62.985 62.100 -0.220 0.000 1.146 249 T CB -0.162 68.561 68.868 -0.243 0.000 0.865 249 T HN 0.144 nan 8.240 nan 0.000 0.435 250 N N 0.711 119.321 118.700 -0.149 0.000 2.216 250 N HA -0.053 4.687 4.740 -0.000 0.000 0.183 250 N C 1.953 177.415 175.510 -0.081 0.000 1.017 250 N CA 0.914 53.902 53.050 -0.103 0.000 0.861 250 N CB -0.139 38.297 38.487 -0.086 0.000 0.986 250 N HN 0.412 nan 8.380 nan 0.000 0.428 251 K N 1.381 121.732 120.400 -0.082 0.000 2.057 251 K HA -0.003 4.317 4.320 -0.000 0.000 0.206 251 K C 2.094 178.670 176.600 -0.039 0.000 1.050 251 K CA 0.760 57.018 56.287 -0.049 0.000 0.935 251 K CB -0.052 32.425 32.500 -0.039 0.000 0.715 251 K HN 0.040 nan 8.250 nan 0.000 0.439 252 I N 1.021 121.557 120.570 -0.057 0.000 2.163 252 I HA -0.295 3.875 4.170 -0.000 0.000 0.243 252 I C 1.970 178.060 176.117 -0.046 0.000 1.085 252 I CA 1.312 62.584 61.300 -0.046 0.000 1.347 252 I CB -0.178 37.775 38.000 -0.079 0.000 1.044 252 I HN 0.202 nan 8.210 nan 0.000 0.408 253 L N 0.078 121.253 121.223 -0.079 0.000 2.492 253 L HA -0.008 4.332 4.340 -0.000 0.000 0.223 253 L C 0.625 177.482 176.870 -0.021 0.000 1.132 253 L CA 0.123 54.928 54.840 -0.058 0.000 0.850 253 L CB -0.652 41.350 42.059 -0.095 0.000 0.966 253 L HN 0.395 nan 8.230 nan 0.000 0.454 254 N N 1.200 119.887 118.700 -0.023 0.000 2.705 254 N HA -0.163 4.576 4.740 -0.000 0.000 0.255 254 N C 0.246 175.755 175.510 -0.002 0.000 1.008 254 N CA 0.822 53.867 53.050 -0.008 0.000 0.742 254 N CB -0.844 37.646 38.487 0.006 0.000 0.906 254 N HN 0.496 nan 8.380 nan 0.000 0.541 255 T N -3.138 111.412 114.554 -0.007 0.000 2.900 255 T HA 0.296 4.646 4.350 -0.000 0.000 0.307 255 T C 1.626 176.329 174.700 0.006 0.000 1.065 255 T CA 0.015 62.119 62.100 0.005 0.000 1.105 255 T CB 1.181 70.055 68.868 0.009 0.000 0.979 255 T HN 0.405 nan 8.240 nan 0.000 0.544 256 S N 0.960 116.666 115.700 0.011 0.000 2.425 256 S HA 0.135 4.605 4.470 -0.000 0.000 0.225 256 S C 0.800 175.405 174.600 0.009 0.000 1.024 256 S CA -0.270 57.936 58.200 0.009 0.000 0.951 256 S CB -0.088 63.118 63.200 0.010 0.000 0.796 256 S HN 0.675 nan 8.310 nan 0.000 0.498 257 S N 0.887 116.595 115.700 0.012 0.000 2.566 257 S HA 0.619 5.089 4.470 -0.000 0.000 0.298 257 S C -0.641 173.968 174.600 0.015 0.000 1.083 257 S CA -0.787 57.421 58.200 0.014 0.000 0.978 257 S CB 2.017 65.227 63.200 0.017 0.000 1.073 257 S HN 0.194 nan 8.310 nan 0.000 0.491 258 V N 3.401 123.322 119.914 0.012 0.000 2.470 258 V HA 0.153 4.273 4.120 -0.000 0.000 0.276 258 V C -0.151 175.962 176.094 0.031 0.000 1.040 258 V CA -0.196 62.109 62.300 0.008 0.000 1.008 258 V CB -0.029 31.791 31.823 -0.004 0.000 0.990 258 V HN 0.635 nan 8.190 nan 0.000 0.477 259 I N 8.091 128.688 120.570 0.045 0.000 2.337 259 I HA 0.314 4.484 4.170 -0.000 0.000 0.291 259 I C -2.216 173.955 176.117 0.090 0.000 1.046 259 I CA -2.744 58.613 61.300 0.095 0.000 1.324 259 I CB 1.108 39.203 38.000 0.158 0.000 1.409 259 I HN 0.391 nan 8.210 nan 0.000 0.494 260 P HA 0.173 nan 4.420 nan 0.000 0.271 260 P C -0.700 176.677 177.300 0.129 0.000 1.220 260 P CA 0.040 63.189 63.100 0.081 0.000 0.768 260 P CB 0.802 32.540 31.700 0.064 0.000 0.848 261 V N 4.213 124.163 119.914 0.060 0.000 2.623 261 V HA 0.541 4.660 4.120 -0.000 0.000 0.304 261 V C -0.420 175.688 176.094 0.023 0.000 1.054 261 V CA -0.210 62.143 62.300 0.089 0.000 0.882 261 V CB 2.192 34.055 31.823 0.067 0.000 1.002 261 V HN 0.505 nan 8.190 nan 0.000 0.424 262 D N 1.612 122.039 120.400 0.046 0.000 2.665 262 D HA 0.817 5.456 4.640 -0.000 0.000 0.287 262 D C -0.079 176.226 176.300 0.009 0.000 1.266 262 D CA 0.814 54.811 54.000 -0.006 0.000 0.830 262 D CB 2.611 43.382 40.800 -0.047 0.000 1.356 262 D HN 0.910 nan 8.370 nan 0.000 0.437 263 G N -0.582 108.198 108.800 -0.033 0.000 2.368 263 G HA2 0.295 4.255 3.960 -0.000 0.000 0.269 263 G HA3 0.295 4.255 3.960 -0.000 0.000 0.269 263 G C -1.915 172.929 174.900 -0.094 0.000 1.291 263 G CA -0.667 44.406 45.100 -0.046 0.000 0.903 263 G HN 0.447 nan 8.290 nan 0.000 0.483 264 L N -0.013 121.141 121.223 -0.114 0.000 2.356 264 L HA 0.551 4.891 4.340 -0.000 0.000 0.277 264 L C -0.428 176.337 176.870 -0.175 0.000 0.996 264 L CA -0.814 53.931 54.840 -0.158 0.000 0.822 264 L CB 2.059 44.030 42.059 -0.148 0.000 1.256 264 L HN 0.583 nan 8.230 nan 0.000 0.413 265 C N 3.639 122.826 119.300 -0.188 0.000 2.265 265 C HA 0.601 5.061 4.460 -0.000 0.000 0.332 265 C C 0.362 175.249 174.990 -0.173 0.000 1.248 265 C CA -0.673 58.240 59.018 -0.175 0.000 1.727 265 C CB 0.565 28.221 27.740 -0.140 0.000 2.348 265 C HN 0.471 nan 8.230 nan 0.000 0.519 266 V N 4.352 124.147 119.914 -0.198 0.000 2.540 266 V HA 0.477 4.597 4.120 -0.000 0.000 0.302 266 V C 0.051 176.046 176.094 -0.165 0.000 1.035 266 V CA -0.721 61.471 62.300 -0.180 0.000 0.873 266 V CB 1.741 33.417 31.823 -0.246 0.000 0.992 266 V HN 0.781 nan 8.190 nan 0.000 0.428 267 R N 3.125 123.550 120.500 -0.125 0.000 2.298 267 R HA 0.616 4.956 4.340 -0.000 0.000 0.310 267 R C -0.511 175.699 176.300 -0.150 0.000 1.068 267 R CA -0.114 55.900 56.100 -0.144 0.000 0.957 267 R CB 1.101 31.283 30.300 -0.197 0.000 1.003 267 R HN 0.740 nan 8.270 nan 0.000 0.454 268 V N 1.064 120.919 119.914 -0.099 0.000 3.113 268 V HA 0.707 4.827 4.120 -0.000 0.000 0.316 268 V C 0.547 176.622 176.094 -0.031 0.000 1.125 268 V CA -0.694 61.580 62.300 -0.043 0.000 1.026 268 V CB 1.864 33.723 31.823 0.060 0.000 1.080 268 V HN 0.759 nan 8.190 nan 0.000 0.444 269 G N 0.510 109.312 108.800 0.004 0.000 3.263 269 G HA2 0.556 4.516 3.960 -0.000 0.000 0.246 269 G HA3 0.556 4.516 3.960 -0.000 0.000 0.246 269 G C 0.122 175.061 174.900 0.065 0.000 0.982 269 G CA 0.498 45.614 45.100 0.025 0.000 1.897 269 G HN 1.462 nan 8.290 nan 0.000 0.624 270 A N 0.080 122.950 122.820 0.082 0.000 2.384 270 A HA 0.763 5.083 4.320 -0.000 0.000 0.312 270 A C 0.871 178.527 177.584 0.121 0.000 1.113 270 A CA -0.715 51.385 52.037 0.105 0.000 0.779 270 A CB 1.283 20.358 19.000 0.125 0.000 1.307 270 A HN 0.219 nan 8.150 nan 0.000 0.436 271 L N -0.437 120.852 121.223 0.110 0.000 2.130 271 L HA 0.150 4.490 4.340 -0.000 0.000 0.200 271 L C 2.330 179.260 176.870 0.101 0.000 1.075 271 L CA 1.053 55.958 54.840 0.109 0.000 0.768 271 L CB -0.080 42.030 42.059 0.084 0.000 0.933 271 L HN 0.854 nan 8.230 nan 0.000 0.451 272 R N -2.654 117.894 120.500 0.081 0.000 2.568 272 R HA 0.219 4.559 4.340 -0.000 0.000 0.254 272 R C -0.025 176.289 176.300 0.024 0.000 0.925 272 R CA -0.268 55.856 56.100 0.041 0.000 1.025 272 R CB 0.856 31.167 30.300 0.018 0.000 1.428 272 R HN 0.188 nan 8.270 nan 0.000 0.573 273 C N 2.110 121.459 119.300 0.082 0.000 2.369 273 C HA 0.359 4.819 4.460 -0.000 0.000 0.358 273 C C -0.179 174.949 174.990 0.230 0.000 1.274 273 C CA -0.594 58.486 59.018 0.104 0.000 1.935 273 C CB -0.046 27.755 27.740 0.101 0.000 2.431 273 C HN 0.303 nan 8.230 nan 0.000 0.545 274 H N 1.523 120.628 119.070 0.058 0.000 2.552 274 H HA 0.420 4.975 4.556 -0.000 0.000 0.311 274 H C 0.006 175.337 175.328 0.004 0.000 1.071 274 H CA 0.168 56.244 56.048 0.047 0.000 1.307 274 H CB 1.073 30.861 29.762 0.044 0.000 1.416 274 H HN 0.591 nan 8.280 nan 0.000 0.464 275 S N 3.374 119.119 115.700 0.074 0.000 2.501 275 S HA 0.522 4.992 4.470 -0.000 0.000 0.301 275 S C -0.358 174.064 174.600 -0.296 0.000 1.096 275 S CA -0.903 57.184 58.200 -0.190 0.000 1.063 275 S CB 1.604 64.685 63.200 -0.198 0.000 1.042 275 S HN 0.539 nan 8.310 nan 0.000 0.494 276 Q N 0.869 120.269 119.800 -0.668 0.000 2.331 276 Q HA 0.658 4.998 4.340 -0.000 0.000 0.272 276 Q C -1.277 174.146 176.000 -0.961 0.000 1.062 276 Q CA -0.777 54.633 55.803 -0.655 0.000 0.806 276 Q CB 2.282 30.634 28.738 -0.644 0.000 1.312 276 Q HN 0.733 nan 8.270 nan 0.000 0.431 277 A N 2.486 124.977 122.820 -0.549 0.000 2.292 277 A HA 0.802 5.122 4.320 -0.000 0.000 0.319 277 A C -1.260 176.088 177.584 -0.393 0.000 1.206 277 A CA -0.230 51.700 52.037 -0.178 0.000 0.835 277 A CB 0.262 19.423 19.000 0.267 0.000 1.164 277 A HN 0.558 nan 8.150 nan 0.000 0.505 278 F N 0.339 120.362 119.950 0.123 0.000 2.546 278 F HA 0.581 5.108 4.527 -0.000 0.000 0.320 278 F C 0.511 176.383 175.800 0.120 0.000 1.076 278 F CA -0.325 57.738 58.000 0.106 0.000 0.928 278 F CB 2.833 41.871 39.000 0.062 0.000 1.189 278 F HN 0.382 nan 8.300 nan 0.000 0.465 279 T N 4.610 119.378 114.554 0.357 0.000 2.864 279 T HA 0.512 4.862 4.350 -0.000 0.000 0.310 279 T C -0.654 174.153 174.700 0.179 0.000 1.040 279 T CA -0.369 61.898 62.100 0.279 0.000 0.977 279 T CB 0.283 69.371 68.868 0.367 0.000 0.976 279 T HN 0.182 nan 8.240 nan 0.000 0.459 280 I N 3.307 123.858 120.570 -0.032 0.000 2.339 280 I HA 0.421 4.590 4.170 -0.000 0.000 0.290 280 I C 0.218 175.960 176.117 -0.626 0.000 0.994 280 I CA -1.102 60.026 61.300 -0.287 0.000 1.191 280 I CB 1.594 39.439 38.000 -0.259 0.000 1.343 280 I HN 0.381 nan 8.210 nan 0.000 0.458 281 K N 7.214 126.932 120.400 -1.136 0.000 2.262 281 K HA 0.500 4.820 4.320 -0.000 0.000 0.282 281 K C -0.914 175.179 176.600 -0.846 0.000 1.066 281 K CA -0.157 55.290 56.287 -1.401 0.000 0.901 281 K CB 0.466 31.514 32.500 -2.419 0.000 1.089 281 K HN 0.500 nan 8.250 nan 0.000 0.476 282 L N 4.850 125.697 121.223 -0.626 0.000 2.379 282 L HA 0.326 4.666 4.340 -0.000 0.000 0.269 282 L C 1.302 177.968 176.870 -0.340 0.000 1.084 282 L CA -0.525 54.066 54.840 -0.414 0.000 0.802 282 L CB 1.134 43.009 42.059 -0.306 0.000 1.175 282 L HN 0.684 nan 8.230 nan 0.000 0.448 283 K N 1.152 121.402 120.400 -0.250 0.000 2.217 283 K HA -0.064 4.255 4.320 -0.000 0.000 0.202 283 K C 0.061 176.577 176.600 -0.139 0.000 1.051 283 K CA 1.050 57.231 56.287 -0.176 0.000 0.952 283 K CB 0.091 32.512 32.500 -0.132 0.000 0.736 283 K HN 0.538 nan 8.250 nan 0.000 0.453 284 K N -0.013 120.303 120.400 -0.141 0.000 2.533 284 K HA 0.177 4.497 4.320 -0.000 0.000 0.272 284 K C -1.642 174.895 176.600 -0.105 0.000 0.985 284 K CA -0.968 55.257 56.287 -0.103 0.000 0.876 284 K CB 1.417 33.870 32.500 -0.078 0.000 1.452 284 K HN -0.323 nan 8.250 nan 0.000 0.439 285 D N 1.852 122.208 120.400 -0.074 0.000 2.338 285 D HA 0.200 4.840 4.640 -0.000 0.000 0.255 285 D C -0.960 175.306 176.300 -0.057 0.000 1.237 285 D CA -0.105 53.859 54.000 -0.060 0.000 0.883 285 D CB 0.756 41.536 40.800 -0.034 0.000 1.087 285 D HN 0.383 nan 8.370 nan 0.000 0.485 286 V N 3.300 123.175 119.914 -0.066 0.000 2.581 286 V HA 0.351 4.470 4.120 -0.000 0.000 0.303 286 V C 0.584 176.650 176.094 -0.047 0.000 1.041 286 V CA -0.986 61.279 62.300 -0.059 0.000 0.907 286 V CB 1.719 33.496 31.823 -0.076 0.000 0.994 286 V HN 0.703 nan 8.190 nan 0.000 0.442 287 S N 4.133 119.812 115.700 -0.037 0.000 2.584 287 S HA 0.245 4.715 4.470 -0.000 0.000 0.270 287 S C 1.062 175.644 174.600 -0.030 0.000 1.346 287 S CA -0.474 57.709 58.200 -0.028 0.000 1.018 287 S CB 0.604 63.791 63.200 -0.022 0.000 0.899 287 S HN 0.456 nan 8.310 nan 0.000 0.542 288 I N 1.889 122.445 120.570 -0.022 0.000 2.315 288 I HA 0.020 4.190 4.170 -0.000 0.000 0.248 288 I C -0.763 175.343 176.117 -0.020 0.000 1.117 288 I CA 0.186 61.474 61.300 -0.020 0.000 1.404 288 I CB -2.737 35.257 38.000 -0.011 0.000 1.071 288 I HN 0.552 nan 8.210 nan 0.000 0.419 289 P HA -0.072 nan 4.420 nan 0.000 0.217 289 P C 1.774 179.061 177.300 -0.020 0.000 1.150 289 P CA 1.447 64.537 63.100 -0.016 0.000 0.832 289 P CB -0.030 31.662 31.700 -0.014 0.000 0.787 290 T N -0.887 113.652 114.554 -0.025 0.000 2.737 290 T HA -0.088 4.261 4.350 -0.000 0.000 0.265 290 T C 1.857 176.537 174.700 -0.035 0.000 1.038 290 T CA 1.095 63.177 62.100 -0.029 0.000 1.144 290 T CB -1.047 67.801 68.868 -0.033 0.000 0.866 290 T HN -0.135 nan 8.240 nan 0.000 0.434 291 V N 1.681 121.570 119.914 -0.042 0.000 2.282 291 V HA -0.230 3.890 4.120 -0.000 0.000 0.249 291 V C 2.516 178.586 176.094 -0.040 0.000 1.057 291 V CA 1.822 64.091 62.300 -0.053 0.000 1.032 291 V CB -0.610 31.177 31.823 -0.060 0.000 0.645 291 V HN 0.562 nan 8.190 nan 0.000 0.447 292 E N -0.454 119.729 120.200 -0.027 0.000 2.085 292 E HA -0.261 4.089 4.350 -0.000 0.000 0.194 292 E C 2.257 178.848 176.600 -0.016 0.000 0.994 292 E CA 1.544 57.934 56.400 -0.017 0.000 0.801 292 E CB -0.139 29.555 29.700 -0.011 0.000 0.743 292 E HN 0.691 nan 8.360 nan 0.000 0.453 293 E N 0.607 120.796 120.200 -0.018 0.000 2.031 293 E HA -0.181 4.169 4.350 -0.000 0.000 0.193 293 E C 2.271 178.864 176.600 -0.011 0.000 0.994 293 E CA 0.859 57.249 56.400 -0.016 0.000 0.800 293 E CB -0.107 29.582 29.700 -0.018 0.000 0.752 293 E HN 0.219 nan 8.360 nan 0.000 0.447 294 L N 0.735 121.949 121.223 -0.016 0.000 2.042 294 L HA -0.237 4.103 4.340 -0.000 0.000 0.210 294 L C 2.521 179.398 176.870 0.011 0.000 1.076 294 L CA 0.982 55.818 54.840 -0.007 0.000 0.749 294 L CB -0.461 41.581 42.059 -0.028 0.000 0.893 294 L HN 0.179 nan 8.230 nan 0.000 0.432 295 L N -0.479 120.739 121.223 -0.009 0.000 2.027 295 L HA -0.154 4.186 4.340 -0.000 0.000 0.206 295 L C 2.853 179.739 176.870 0.027 0.000 1.074 295 L CA 1.202 56.040 54.840 -0.004 0.000 0.745 295 L CB -0.682 41.361 42.059 -0.027 0.000 0.898 295 L HN 0.218 nan 8.230 nan 0.000 0.433 296 A N -0.220 122.606 122.820 0.010 0.000 2.015 296 A HA -0.065 4.255 4.320 -0.000 0.000 0.219 296 A C 2.412 179.996 177.584 -0.001 0.000 1.163 296 A CA 1.462 53.501 52.037 0.003 0.000 0.646 296 A CB -0.551 18.444 19.000 -0.009 0.000 0.806 296 A HN 0.399 nan 8.150 nan 0.000 0.448 297 A N -1.649 121.176 122.820 0.008 0.000 2.067 297 A HA -0.090 4.230 4.320 -0.000 0.000 0.217 297 A C 1.986 179.569 177.584 -0.001 0.000 1.156 297 A CA 1.260 53.292 52.037 -0.008 0.000 0.683 297 A CB -0.808 18.187 19.000 -0.008 0.000 0.808 297 A HN 0.721 nan 8.150 nan 0.000 0.455 298 H N 1.020 120.068 119.070 -0.037 0.000 2.321 298 H HA -0.100 4.456 4.556 -0.000 0.000 0.300 298 H C -0.023 175.290 175.328 -0.025 0.000 1.087 298 H CA 1.790 57.823 56.048 -0.025 0.000 1.319 298 H CB 0.088 29.840 29.762 -0.016 0.000 1.379 298 H HN 0.724 nan 8.280 nan 0.000 0.501 299 N N -1.724 116.995 118.700 0.032 0.000 2.598 299 N HA 0.130 4.870 4.740 -0.000 0.000 0.263 299 N C -2.451 172.982 175.510 -0.129 0.000 1.254 299 N CA -1.208 51.821 53.050 -0.035 0.000 0.863 299 N CB 1.601 40.207 38.487 0.199 0.000 1.586 299 N HN -0.215 nan 8.380 nan 0.000 0.491 300 P HA -0.060 nan 4.420 nan 0.000 0.234 300 P C -0.042 176.958 177.300 -0.501 0.000 1.167 300 P CA 0.986 63.760 63.100 -0.543 0.000 0.763 300 P CB 0.085 31.308 31.700 -0.795 0.000 0.835 301 W N 0.049 121.345 121.300 -0.006 0.000 2.942 301 W HA 0.354 5.014 4.660 -0.000 0.000 0.263 301 W C 0.989 177.494 176.519 -0.024 0.000 1.296 301 W CA -0.049 57.298 57.345 0.004 0.000 1.504 301 W CB -0.408 29.023 29.460 -0.049 0.000 1.096 301 W HN -0.060 nan 8.180 nan 0.000 0.639 302 A N 2.193 125.087 122.820 0.123 0.000 3.063 302 A HA 0.113 4.433 4.320 -0.000 0.000 0.263 302 A C 0.492 178.104 177.584 0.047 0.000 1.736 302 A CA 0.047 52.128 52.037 0.074 0.000 1.408 302 A CB -0.886 18.149 19.000 0.058 0.000 1.108 302 A HN 0.076 nan 8.150 nan 0.000 0.621 303 K N 1.709 122.145 120.400 0.060 0.000 2.383 303 K HA 0.294 4.614 4.320 -0.000 0.000 0.286 303 K C -0.740 175.886 176.600 0.043 0.000 1.051 303 K CA -0.148 56.164 56.287 0.042 0.000 0.974 303 K CB 0.432 32.964 32.500 0.054 0.000 0.968 303 K HN 0.247 nan 8.250 nan 0.000 0.475 304 V N 5.646 125.576 119.914 0.027 0.000 2.432 304 V HA 0.101 4.221 4.120 -0.000 0.000 0.271 304 V C -0.135 175.978 176.094 0.031 0.000 1.046 304 V CA -0.708 61.609 62.300 0.029 0.000 0.945 304 V CB 1.372 33.204 31.823 0.015 0.000 0.992 304 V HN 0.499 nan 8.190 nan 0.000 0.471 305 V N 8.331 128.270 119.914 0.043 0.000 2.364 305 V HA 0.285 4.404 4.120 -0.000 0.000 0.272 305 V C -2.014 174.098 176.094 0.031 0.000 1.036 305 V CA -1.884 60.440 62.300 0.040 0.000 0.880 305 V CB 1.231 33.086 31.823 0.053 0.000 0.991 305 V HN 0.769 nan 8.190 nan 0.000 0.460 306 P HA -0.068 nan 4.420 nan 0.000 0.266 306 P C 0.241 177.549 177.300 0.014 0.000 1.186 306 P CA 0.273 63.381 63.100 0.013 0.000 0.767 306 P CB 0.265 31.970 31.700 0.008 0.000 0.820 307 N N 2.285 120.992 118.700 0.011 0.000 3.210 307 N HA -0.021 4.719 4.740 -0.000 0.000 0.314 307 N C -0.881 174.630 175.510 0.001 0.000 1.291 307 N CA -0.141 52.914 53.050 0.009 0.000 1.202 307 N CB -0.317 38.177 38.487 0.010 0.000 1.475 307 N HN 0.306 nan 8.380 nan 0.000 0.554 308 D N 0.598 120.998 120.400 -0.001 0.000 2.619 308 D HA 0.088 4.728 4.640 -0.000 0.000 0.241 308 D C 0.866 177.159 176.300 -0.011 0.000 1.087 308 D CA -0.524 53.473 54.000 -0.005 0.000 0.851 308 D CB 2.072 42.871 40.800 -0.002 0.000 1.474 308 D HN 0.218 nan 8.370 nan 0.000 0.478 309 R N 1.255 121.746 120.500 -0.015 0.000 2.103 309 R HA -0.229 4.110 4.340 -0.000 0.000 0.234 309 R C 1.212 177.501 176.300 -0.019 0.000 1.132 309 R CA 2.042 58.130 56.100 -0.021 0.000 0.925 309 R CB 0.139 30.428 30.300 -0.019 0.000 0.842 309 R HN 0.347 nan 8.270 nan 0.000 0.430 310 E N 0.486 120.679 120.200 -0.012 0.000 2.038 310 E HA -0.217 4.133 4.350 -0.000 0.000 0.195 310 E C 1.923 178.520 176.600 -0.005 0.000 1.000 310 E CA 1.660 58.055 56.400 -0.008 0.000 0.803 310 E CB -0.389 29.308 29.700 -0.004 0.000 0.750 310 E HN 0.461 nan 8.360 nan 0.000 0.448 311 I N 0.415 120.984 120.570 -0.002 0.000 2.394 311 I HA -0.244 3.926 4.170 -0.000 0.000 0.251 311 I C 1.599 177.720 176.117 0.005 0.000 1.136 311 I CA 1.148 62.451 61.300 0.004 0.000 1.425 311 I CB -0.007 37.998 38.000 0.008 0.000 1.079 311 I HN 0.107 nan 8.210 nan 0.000 0.425 312 T N 1.148 115.700 114.554 -0.004 0.000 2.674 312 T HA -0.213 4.137 4.350 -0.000 0.000 0.265 312 T C 1.815 176.504 174.700 -0.019 0.000 1.039 312 T CA 1.985 64.078 62.100 -0.011 0.000 1.150 312 T CB -0.198 68.648 68.868 -0.036 0.000 0.864 312 T HN 0.325 nan 8.240 nan 0.000 0.427 313 M N 0.370 119.955 119.600 -0.026 0.000 2.202 313 M HA -0.079 4.401 4.480 -0.000 0.000 0.262 313 M C 2.476 178.773 176.300 -0.005 0.000 1.063 313 M CA 1.581 56.866 55.300 -0.025 0.000 1.097 313 M CB -0.308 32.279 32.600 -0.023 0.000 1.382 313 M HN 0.093 nan 8.290 nan 0.000 0.413 314 R N -0.201 120.301 120.500 0.003 0.000 2.080 314 R HA -0.035 4.305 4.340 -0.000 0.000 0.222 314 R C 1.656 177.971 176.300 0.024 0.000 1.107 314 R CA 1.089 57.197 56.100 0.013 0.000 0.980 314 R CB 0.019 30.327 30.300 0.012 0.000 0.879 314 R HN 0.476 nan 8.270 nan 0.000 0.439 315 E N -0.169 120.048 120.200 0.029 0.000 2.372 315 E HA 0.018 4.368 4.350 -0.000 0.000 0.201 315 E C 0.017 176.655 176.600 0.064 0.000 0.938 315 E CA -0.039 56.388 56.400 0.045 0.000 0.944 315 E CB 0.459 30.185 29.700 0.043 0.000 0.937 315 E HN -0.052 nan 8.360 nan 0.000 0.495 316 L N 2.154 123.414 121.223 0.063 0.000 2.865 316 L HA 0.200 4.540 4.340 -0.000 0.000 0.233 316 L C -0.392 176.549 176.870 0.119 0.000 1.320 316 L CA 0.320 55.224 54.840 0.108 0.000 1.225 316 L CB -0.160 41.966 42.059 0.111 0.000 1.542 316 L HN -0.025 nan 8.230 nan 0.000 0.432 317 T N -3.064 111.551 114.554 0.102 0.000 2.843 317 T HA 0.489 4.839 4.350 -0.000 0.000 0.302 317 T C -2.423 172.333 174.700 0.092 0.000 1.232 317 T CA -1.437 60.720 62.100 0.095 0.000 1.009 317 T CB 1.733 70.630 68.868 0.049 0.000 1.254 317 T HN -0.167 nan 8.240 nan 0.000 0.504 318 P HA -0.020 nan 4.420 nan 0.000 0.215 318 P C 1.790 179.131 177.300 0.068 0.000 1.153 318 P CA 1.921 65.072 63.100 0.085 0.000 0.853 318 P CB -0.291 31.463 31.700 0.089 0.000 0.788 319 A N 0.016 122.871 122.820 0.058 0.000 1.917 319 A HA -0.218 4.102 4.320 -0.000 0.000 0.219 319 A C 2.278 179.890 177.584 0.047 0.000 1.182 319 A CA 2.453 54.518 52.037 0.047 0.000 0.633 319 A CB -1.625 17.398 19.000 0.037 0.000 0.819 319 A HN 0.234 nan 8.150 nan 0.000 0.448 320 A N -1.418 121.433 122.820 0.052 0.000 2.072 320 A HA 0.292 4.611 4.320 -0.000 0.000 0.216 320 A C 1.948 179.571 177.584 0.064 0.000 1.156 320 A CA 1.346 53.415 52.037 0.053 0.000 0.701 320 A CB -0.193 18.838 19.000 0.053 0.000 0.816 320 A HN 0.392 nan 8.150 nan 0.000 0.458 321 V N -0.513 119.444 119.914 0.072 0.000 3.085 321 V HA -0.017 4.103 4.120 -0.000 0.000 0.245 321 V C 1.025 177.162 176.094 0.072 0.000 1.114 321 V CA 0.884 63.234 62.300 0.083 0.000 1.108 321 V CB -0.671 31.210 31.823 0.097 0.000 0.798 321 V HN 0.392 nan 8.190 nan 0.000 0.471 322 T N 1.737 116.328 114.554 0.061 0.000 2.867 322 T HA 0.264 4.614 4.350 -0.000 0.000 0.290 322 T C 1.361 176.084 174.700 0.038 0.000 1.025 322 T CA 1.404 63.532 62.100 0.048 0.000 1.146 322 T CB 0.114 69.009 68.868 0.045 0.000 1.024 322 T HN 0.876 nan 8.240 nan 0.000 0.519 323 G N 2.759 111.573 108.800 0.024 0.000 2.184 323 G HA2 -0.293 3.666 3.960 -0.000 0.000 0.264 323 G HA3 -0.293 3.666 3.960 -0.000 0.000 0.264 323 G C 0.411 175.322 174.900 0.019 0.000 0.975 323 G CA 0.653 45.760 45.100 0.012 0.000 0.642 323 G HN 1.222 nan 8.290 nan 0.000 0.536 324 T N -1.889 112.693 114.554 0.047 0.000 2.944 324 T HA 0.715 5.065 4.350 -0.000 0.000 0.284 324 T C 1.282 176.044 174.700 0.103 0.000 1.010 324 T CA -0.424 61.723 62.100 0.077 0.000 1.025 324 T CB 1.746 70.676 68.868 0.104 0.000 1.079 324 T HN 0.300 nan 8.240 nan 0.000 0.516 325 L N 0.688 122.010 121.223 0.165 0.000 2.592 325 L HA 0.199 4.538 4.340 -0.000 0.000 0.227 325 L C 0.837 178.021 176.870 0.523 0.000 1.127 325 L CA -0.163 54.827 54.840 0.250 0.000 0.884 325 L CB -0.234 41.956 42.059 0.218 0.000 1.065 325 L HN 0.763 nan 8.230 nan 0.000 0.457 326 T N 0.274 115.051 114.554 0.371 0.000 2.884 326 T HA 0.182 4.531 4.350 -0.000 0.000 0.298 326 T C 0.779 175.634 174.700 0.259 0.000 0.998 326 T CA -0.111 62.188 62.100 0.332 0.000 1.124 326 T CB 0.837 69.833 68.868 0.213 0.000 0.931 326 T HN 0.208 nan 8.240 nan 0.000 0.531 327 T N 0.719 115.404 114.554 0.220 0.000 3.466 327 T HA 0.342 4.692 4.350 -0.000 0.000 0.297 327 T C -2.699 172.066 174.700 0.109 0.000 1.640 327 T CA -1.903 60.279 62.100 0.136 0.000 1.631 327 T CB 0.271 69.171 68.868 0.054 0.000 0.928 327 T HN 0.285 nan 8.240 nan 0.000 0.688 328 P HA 0.220 nan 4.420 nan 0.000 0.266 328 P C -0.461 176.900 177.300 0.102 0.000 1.195 328 P CA -0.158 63.003 63.100 0.102 0.000 0.768 328 P CB 1.136 32.900 31.700 0.107 0.000 0.838 329 V N 2.735 122.702 119.914 0.089 0.000 2.495 329 V HA 0.787 4.906 4.120 -0.000 0.000 0.298 329 V C 0.819 176.978 176.094 0.108 0.000 1.031 329 V CA -0.193 62.164 62.300 0.097 0.000 0.871 329 V CB 1.493 33.346 31.823 0.049 0.000 0.988 329 V HN 0.917 nan 8.190 nan 0.000 0.432 330 G N 2.309 111.203 108.800 0.157 0.000 2.975 330 G HA2 0.606 4.566 3.960 -0.000 0.000 0.291 330 G HA3 0.606 4.566 3.960 -0.000 0.000 0.291 330 G C -0.437 174.550 174.900 0.145 0.000 1.334 330 G CA -0.938 44.242 45.100 0.133 0.000 0.843 330 G HN 0.407 nan 8.290 nan 0.000 0.548 331 R N -1.204 119.352 120.500 0.093 0.000 3.405 331 R HA -0.149 4.191 4.340 -0.000 0.000 0.258 331 R C -0.208 176.142 176.300 0.083 0.000 1.030 331 R CA 0.285 56.429 56.100 0.074 0.000 0.691 331 R CB -2.438 27.910 30.300 0.079 0.000 1.093 331 R HN 0.425 nan 8.270 nan 0.000 0.448 332 L N 1.586 122.847 121.223 0.062 0.000 2.313 332 L HA 0.385 4.724 4.340 -0.000 0.000 0.282 332 L C 1.204 178.091 176.870 0.030 0.000 1.092 332 L CA 0.074 54.941 54.840 0.045 0.000 0.831 332 L CB 0.683 42.757 42.059 0.025 0.000 1.159 332 L HN 0.300 nan 8.230 nan 0.000 0.442 333 R N 1.761 122.280 120.500 0.031 0.000 2.774 333 R HA 0.450 4.790 4.340 -0.000 0.000 0.279 333 R C -1.668 174.651 176.300 0.030 0.000 1.022 333 R CA -1.215 54.899 56.100 0.024 0.000 0.855 333 R CB 0.988 31.304 30.300 0.025 0.000 1.279 333 R HN 0.090 nan 8.270 nan 0.000 0.485 334 K N 1.582 121.999 120.400 0.028 0.000 2.218 334 K HA 0.390 4.710 4.320 -0.000 0.000 0.276 334 K C 0.040 176.673 176.600 0.054 0.000 1.022 334 K CA -0.486 55.827 56.287 0.044 0.000 0.946 334 K CB 0.792 33.313 32.500 0.036 0.000 1.000 334 K HN 0.461 nan 8.250 nan 0.000 0.468 335 L N 1.991 123.266 121.223 0.086 0.000 2.439 335 L HA 0.185 4.525 4.340 -0.000 0.000 0.259 335 L C 1.594 178.465 176.870 0.002 0.000 1.129 335 L CA -0.587 54.287 54.840 0.056 0.000 0.803 335 L CB 0.369 42.483 42.059 0.091 0.000 1.161 335 L HN 0.508 nan 8.230 nan 0.000 0.462 336 N N 0.909 119.588 118.700 -0.035 0.000 2.364 336 N HA -0.132 4.608 4.740 -0.000 0.000 0.183 336 N C 1.458 176.888 175.510 -0.135 0.000 1.022 336 N CA 1.062 54.075 53.050 -0.062 0.000 0.883 336 N CB -0.043 38.412 38.487 -0.052 0.000 0.965 336 N HN 0.552 nan 8.380 nan 0.000 0.438 337 M N -0.963 118.471 119.600 -0.276 0.000 2.296 337 M HA 0.162 4.641 4.480 -0.000 0.000 0.265 337 M C 1.033 177.094 176.300 -0.399 0.000 1.064 337 M CA 0.760 55.729 55.300 -0.552 0.000 1.109 337 M CB -0.865 30.941 32.600 -1.323 0.000 1.396 337 M HN -0.012 nan 8.290 nan 0.000 0.430 338 G N -0.270 108.460 108.800 -0.116 0.000 2.339 338 G HA2 0.271 4.230 3.960 -0.000 0.000 0.302 338 G HA3 0.271 4.230 3.960 -0.000 0.000 0.302 338 G C -2.866 172.164 174.900 0.217 0.000 1.425 338 G CA -0.911 44.264 45.100 0.125 0.000 0.899 338 G HN -0.130 nan 8.290 nan 0.000 0.619 339 P HA 0.057 nan 4.420 nan 0.000 0.231 339 P C 0.965 178.292 177.300 0.045 0.000 1.158 339 P CA 1.077 64.220 63.100 0.071 0.000 0.763 339 P CB 0.255 31.976 31.700 0.035 0.000 0.805 340 E N -1.934 118.311 120.200 0.074 0.000 2.481 340 E HA 0.096 4.446 4.350 -0.000 0.000 0.198 340 E C -0.278 176.131 176.600 -0.319 0.000 1.027 340 E CA -0.052 56.266 56.400 -0.137 0.000 0.900 340 E CB 0.089 29.658 29.700 -0.218 0.000 0.993 340 E HN 0.274 nan 8.360 nan 0.000 0.482 341 F N 1.631 121.506 119.950 -0.124 0.000 2.361 341 F HA 0.300 4.826 4.527 -0.000 0.000 0.364 341 F C -0.129 175.613 175.800 -0.096 0.000 1.120 341 F CA -1.013 56.906 58.000 -0.135 0.000 1.102 341 F CB 0.891 39.852 39.000 -0.065 0.000 1.183 341 F HN -0.096 nan 8.300 nan 0.000 0.476 342 L N 4.207 125.417 121.223 -0.021 0.000 2.322 342 L HA 0.681 5.021 4.340 -0.000 0.000 0.281 342 L C -0.085 176.811 176.870 0.044 0.000 1.014 342 L CA -0.228 54.606 54.840 -0.009 0.000 0.815 342 L CB 1.467 43.472 42.059 -0.090 0.000 1.247 342 L HN 0.550 nan 8.230 nan 0.000 0.421 343 S N 3.843 119.592 115.700 0.081 0.000 2.608 343 S HA 0.988 5.458 4.470 -0.000 0.000 0.291 343 S C -0.392 174.294 174.600 0.143 0.000 1.146 343 S CA -0.116 58.164 58.200 0.134 0.000 1.043 343 S CB 1.725 65.003 63.200 0.129 0.000 1.037 343 S HN 1.239 nan 8.310 nan 0.000 0.520 344 A N 1.353 124.315 122.820 0.236 0.000 2.589 344 A HA 0.757 5.077 4.320 -0.000 0.000 0.296 344 A C -1.726 176.110 177.584 0.420 0.000 1.062 344 A CA -0.680 51.516 52.037 0.265 0.000 0.686 344 A CB 1.136 20.241 19.000 0.176 0.000 1.282 344 A HN 1.003 nan 8.150 nan 0.000 0.404 345 F N 1.456 121.523 119.950 0.194 0.000 2.547 345 F HA 0.705 5.232 4.527 -0.000 0.000 0.316 345 F C 0.289 176.185 175.800 0.161 0.000 1.121 345 F CA 0.334 58.419 58.000 0.143 0.000 0.911 345 F CB 2.340 41.357 39.000 0.030 0.000 1.179 345 F HN 0.868 nan 8.300 nan 0.000 0.443 346 T N 2.290 116.722 114.554 -0.203 0.000 2.916 346 T HA 0.896 5.246 4.350 -0.000 0.000 0.292 346 T C -1.464 173.153 174.700 -0.138 0.000 1.064 346 T CA -0.789 61.303 62.100 -0.012 0.000 1.011 346 T CB 1.756 70.723 68.868 0.165 0.000 1.152 346 T HN 0.446 nan 8.240 nan 0.000 0.510 347 V N -0.041 119.891 119.914 0.030 0.000 2.888 347 V HA 0.926 5.046 4.120 -0.000 0.000 0.309 347 V C 0.212 176.362 176.094 0.094 0.000 1.114 347 V CA -0.498 61.836 62.300 0.057 0.000 0.940 347 V CB 1.893 33.782 31.823 0.110 0.000 1.021 347 V HN 1.505 nan 8.190 nan 0.000 0.426 348 G N 0.911 109.774 108.800 0.104 0.000 2.755 348 G HA2 0.449 4.409 3.960 -0.000 0.000 0.297 348 G HA3 0.449 4.409 3.960 -0.000 0.000 0.297 348 G C -1.850 173.099 174.900 0.081 0.000 1.441 348 G CA -0.533 44.636 45.100 0.115 0.000 0.964 348 G HN 0.637 nan 8.290 nan 0.000 0.540 349 D N 0.982 121.428 120.400 0.078 0.000 2.383 349 D HA 0.019 4.658 4.640 -0.000 0.000 0.252 349 D C 1.110 177.380 176.300 -0.051 0.000 1.166 349 D CA -0.231 53.778 54.000 0.015 0.000 0.879 349 D CB 1.527 42.339 40.800 0.020 0.000 1.164 349 D HN 0.405 nan 8.370 nan 0.000 0.462 350 Q N 4.039 123.738 119.800 -0.169 0.000 2.224 350 Q HA -0.109 4.231 4.340 -0.000 0.000 0.203 350 Q C 1.708 177.621 176.000 -0.146 0.000 0.970 350 Q CA 0.903 56.529 55.803 -0.294 0.000 0.865 350 Q CB 0.128 28.517 28.738 -0.581 0.000 0.922 350 Q HN 0.688 nan 8.270 nan 0.000 0.445 351 L N -0.057 121.106 121.223 -0.100 0.000 2.341 351 L HA -0.043 4.297 4.340 -0.000 0.000 0.214 351 L C 1.988 178.797 176.870 -0.102 0.000 1.115 351 L CA 0.162 54.954 54.840 -0.080 0.000 0.820 351 L CB -0.036 41.986 42.059 -0.061 0.000 0.944 351 L HN 0.159 nan 8.230 nan 0.000 0.452 352 L N -1.954 119.196 121.223 -0.122 0.000 2.334 352 L HA -0.009 4.331 4.340 -0.000 0.000 0.195 352 L C 2.013 178.733 176.870 -0.249 0.000 1.281 352 L CA 0.757 55.455 54.840 -0.236 0.000 1.004 352 L CB -0.702 41.184 42.059 -0.289 0.000 1.119 352 L HN 0.118 nan 8.230 nan 0.000 0.575 353 W N 0.256 121.474 121.300 -0.136 0.000 2.465 353 W HA -0.042 4.618 4.660 -0.000 0.000 0.268 353 W C 2.069 178.528 176.519 -0.099 0.000 1.242 353 W CA 0.670 57.925 57.345 -0.150 0.000 1.248 353 W CB -0.298 29.061 29.460 -0.167 0.000 1.118 353 W HN 0.290 nan 8.180 nan 0.000 0.587 354 G N -1.012 107.851 108.800 0.105 0.000 2.985 354 G HA2 0.315 4.275 3.960 -0.000 0.000 0.209 354 G HA3 0.315 4.275 3.960 -0.000 0.000 0.209 354 G C 0.816 175.722 174.900 0.011 0.000 1.165 354 G CA 0.725 45.851 45.100 0.044 0.000 0.776 354 G HN 0.242 nan 8.290 nan 0.000 0.541 355 A N -0.524 122.289 122.820 -0.010 0.000 1.674 355 A HA 0.690 5.010 4.320 -0.000 0.000 0.144 355 A C 1.988 179.551 177.584 -0.036 0.000 1.502 355 A CA 1.237 53.264 52.037 -0.017 0.000 1.644 355 A CB -0.855 18.127 19.000 -0.030 0.000 1.505 355 A HN 0.589 nan 8.150 nan 0.000 1.092 356 A N -0.375 122.396 122.820 -0.081 0.000 1.935 356 A HA 0.156 4.476 4.320 -0.000 0.000 0.214 356 A C 1.733 179.214 177.584 -0.171 0.000 1.178 356 A CA 2.034 54.010 52.037 -0.102 0.000 0.640 356 A CB -0.428 18.511 19.000 -0.102 0.000 0.825 356 A HN 0.484 nan 8.150 nan 0.000 0.447 357 E N 0.555 120.574 120.200 -0.301 0.000 2.070 357 E HA -0.146 4.203 4.350 -0.000 0.000 0.197 357 E C -0.707 175.696 176.600 -0.329 0.000 1.004 357 E CA 2.236 58.337 56.400 -0.499 0.000 0.805 357 E CB -1.134 27.904 29.700 -1.103 0.000 0.744 357 E HN 0.415 nan 8.360 nan 0.000 0.451 358 P HA -0.156 nan 4.420 nan 0.000 0.216 358 P C 1.196 178.477 177.300 -0.031 0.000 1.150 358 P CA 1.300 64.400 63.100 -0.000 0.000 0.843 358 P CB -0.066 31.682 31.700 0.080 0.000 0.787 359 L N -1.009 120.188 121.223 -0.043 0.000 2.027 359 L HA -0.132 4.208 4.340 -0.000 0.000 0.206 359 L C 2.786 179.619 176.870 -0.063 0.000 1.074 359 L CA 1.447 56.268 54.840 -0.031 0.000 0.745 359 L CB -0.899 41.152 42.059 -0.013 0.000 0.898 359 L HN -0.104 nan 8.230 nan 0.000 0.433 360 R N 0.852 121.293 120.500 -0.097 0.000 2.103 360 R HA -0.188 4.151 4.340 -0.000 0.000 0.242 360 R C 2.423 178.649 176.300 -0.123 0.000 1.142 360 R CA 1.675 57.702 56.100 -0.122 0.000 0.960 360 R CB -0.091 30.100 30.300 -0.181 0.000 0.858 360 R HN 0.376 nan 8.270 nan 0.000 0.439 361 R N -0.369 120.058 120.500 -0.122 0.000 2.153 361 R HA -0.075 4.265 4.340 -0.000 0.000 0.218 361 R C 2.157 178.400 176.300 -0.095 0.000 1.072 361 R CA 1.064 57.110 56.100 -0.090 0.000 0.990 361 R CB -0.382 29.888 30.300 -0.051 0.000 0.889 361 R HN 0.254 nan 8.270 nan 0.000 0.452 362 M N 1.177 120.714 119.600 -0.105 0.000 2.200 362 M HA -0.041 4.439 4.480 -0.000 0.000 0.265 362 M C 1.963 178.146 176.300 -0.195 0.000 1.066 362 M CA 1.214 56.413 55.300 -0.168 0.000 1.127 362 M CB -0.240 32.267 32.600 -0.155 0.000 1.379 362 M HN 0.102 nan 8.290 nan 0.000 0.420 363 L N 0.110 121.248 121.223 -0.142 0.000 2.017 363 L HA -0.147 4.193 4.340 -0.000 0.000 0.208 363 L C 2.403 179.190 176.870 -0.138 0.000 1.073 363 L CA 2.005 56.763 54.840 -0.137 0.000 0.745 363 L CB -0.866 41.141 42.059 -0.087 0.000 0.894 363 L HN 0.372 nan 8.230 nan 0.000 0.432 364 R N -0.929 119.500 120.500 -0.119 0.000 2.117 364 R HA -0.203 4.136 4.340 -0.000 0.000 0.243 364 R C 2.313 178.545 176.300 -0.113 0.000 1.143 364 R CA 1.949 57.987 56.100 -0.102 0.000 0.968 364 R CB -0.187 30.062 30.300 -0.085 0.000 0.863 364 R HN 0.594 nan 8.270 nan 0.000 0.444 365 Q N -0.271 119.443 119.800 -0.143 0.000 2.226 365 Q HA -0.131 4.208 4.340 -0.000 0.000 0.204 365 Q C 1.938 177.815 176.000 -0.205 0.000 0.975 365 Q CA 1.131 56.837 55.803 -0.162 0.000 0.866 365 Q CB 0.095 28.714 28.738 -0.197 0.000 0.915 365 Q HN 0.425 nan 8.270 nan 0.000 0.440 366 L N -0.156 120.915 121.223 -0.252 0.000 2.375 366 L HA 0.151 4.491 4.340 -0.000 0.000 0.215 366 L C 1.282 178.046 176.870 -0.176 0.000 1.108 366 L CA -0.406 54.252 54.840 -0.304 0.000 0.830 366 L CB -0.329 41.465 42.059 -0.441 0.000 0.959 366 L HN 0.033 nan 8.230 nan 0.000 0.457 367 A N 0.000 122.747 122.820 -0.122 0.000 2.254 367 A HA 0.000 4.320 4.320 -0.000 0.000 0.244 367 A CA 0.000 51.996 52.037 -0.068 0.000 0.836 367 A CB 0.000 18.969 19.000 -0.051 0.000 0.831 367 A HN 0.000 nan 8.150 nan 0.000 0.486