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 3d0r_1_B DATA FIRST_RESID -6 DATA SEQUENCE IEGRHMRVLF VSSPGIGHLF PLIQLAWGFR TAGHDVLIAV AEHADRAAAA DATA SEQUENCE GLEVVDVAPD YSAVKVFEQV AKDNPRFAET VATRPAIDLE EWGVQIAAVN DATA SEQUENCE RPLVDGTMAL VDDYRPDLVV YEQGATVGLL AADRAGVPAV QRNQSAWRTR DATA SEQUENCE GMHRSIASFL TDLMDKHQVS LPEPVATIES FPPSLLLEAE PEGWFMRWVP DATA SEQUENCE YGGGAVLGDR LPPVPARPEV AITMGTIELQ AFGIGAVEPI IAAAGEVDAD DATA SEQUENCE FVLALGDLDI SPLGTLPRNV RAVGWTPLHT LLRTCTAVVH HGGGGTVMTA DATA SEQUENCE IDAGIPQLLA PDPRDQFQHT AREAVSRRGI GLVSTSDKVD ADLLRRLIGD DATA SEQUENCE ESLRTAAREV REEMVALPTP AETVRRIVER I 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 -6 I HA 0.000 nan 4.170 nan 0.000 0.288 -6 I C 0.000 176.135 176.117 0.030 0.000 1.063 -6 I CA 0.000 61.314 61.300 0.023 0.000 1.566 -6 I CB 0.000 38.009 38.000 0.015 0.000 1.214 -5 E N 1.989 122.209 120.200 0.033 0.000 2.489 -5 E HA 0.340 4.691 4.350 0.001 0.000 0.193 -5 E C 0.951 177.597 176.600 0.077 0.000 1.057 -5 E CA 0.576 57.002 56.400 0.044 0.000 0.866 -5 E CB 0.344 30.058 29.700 0.024 0.000 0.916 -5 E HN 0.604 nan 8.360 nan 0.000 0.500 -4 G N 2.741 111.585 108.800 0.073 0.000 2.741 -4 G HA2 -0.320 3.641 3.960 0.001 0.000 0.222 -4 G HA3 -0.320 3.641 3.960 0.001 0.000 0.222 -4 G C -0.210 174.766 174.900 0.126 0.000 1.364 -4 G CA -0.276 44.880 45.100 0.093 0.000 0.866 -4 G HN 0.356 nan 8.290 nan 0.000 0.555 -3 R N -0.020 120.561 120.500 0.135 0.000 2.679 -3 R HA 0.433 4.774 4.340 0.001 0.000 0.269 -3 R C 0.492 176.952 176.300 0.268 0.000 1.076 -3 R CA -0.280 55.916 56.100 0.160 0.000 1.160 -3 R CB 0.495 30.862 30.300 0.113 0.000 1.054 -3 R HN 0.772 nan 8.270 nan 0.000 0.507 -2 H N 2.813 121.980 119.070 0.162 0.000 2.722 -2 H HA 0.169 4.726 4.556 0.001 0.000 0.328 -2 H C -0.723 174.742 175.328 0.229 0.000 1.067 -2 H CA 0.198 56.390 56.048 0.239 0.000 1.447 -2 H CB 0.703 30.535 29.762 0.116 0.000 1.469 -2 H HN 0.485 nan 8.280 nan 0.000 0.544 -1 M N 4.383 123.922 119.600 -0.102 0.000 2.664 -1 M HA 0.424 4.905 4.480 0.001 0.000 0.314 -1 M C -0.129 175.966 176.300 -0.342 0.000 1.200 -1 M CA -0.855 54.288 55.300 -0.261 0.000 0.916 -1 M CB 2.469 34.818 32.600 -0.419 0.000 1.717 -1 M HN 0.478 nan 8.290 nan 0.000 0.470 0 R N 1.082 121.431 120.500 -0.251 0.000 2.295 0 R HA 0.649 4.990 4.340 0.001 0.000 0.324 0 R C -1.398 174.782 176.300 -0.200 0.000 0.968 0 R CA -0.635 55.321 56.100 -0.240 0.000 0.837 0 R CB 1.573 31.548 30.300 -0.541 0.000 1.133 0 R HN 0.414 nan 8.270 nan 0.000 0.450 1 V N 4.689 124.570 119.914 -0.054 0.000 2.495 1 V HA 0.343 4.464 4.120 0.001 0.000 0.298 1 V C -0.633 175.539 176.094 0.129 0.000 1.031 1 V CA -0.952 61.248 62.300 -0.167 0.000 0.871 1 V CB 1.759 33.256 31.823 -0.544 0.000 0.988 1 V HN 0.501 nan 8.190 nan 0.000 0.432 2 L N 5.282 126.522 121.223 0.029 0.000 2.296 2 L HA 0.667 5.008 4.340 0.001 0.000 0.286 2 L C -0.999 175.806 176.870 -0.108 0.000 1.023 2 L CA 0.154 55.039 54.840 0.075 0.000 0.812 2 L CB 0.988 43.105 42.059 0.097 0.000 1.223 2 L HN 0.463 nan 8.230 nan 0.000 0.421 3 F N 4.336 124.247 119.950 -0.066 0.000 2.421 3 F HA 0.643 5.170 4.527 0.001 0.000 0.337 3 F C -0.112 175.666 175.800 -0.037 0.000 1.105 3 F CA -0.582 57.388 58.000 -0.050 0.000 1.049 3 F CB 1.934 40.903 39.000 -0.051 0.000 1.139 3 F HN 0.118 nan 8.300 nan 0.000 0.479 4 V N 2.393 122.385 119.914 0.130 0.000 2.483 4 V HA 0.434 4.555 4.120 0.001 0.000 0.297 4 V C -0.682 175.467 176.094 0.092 0.000 1.027 4 V CA -0.629 61.719 62.300 0.079 0.000 0.855 4 V CB 1.736 33.581 31.823 0.037 0.000 0.995 4 V HN 0.721 nan 8.190 nan 0.000 0.424 5 S N 3.359 119.095 115.700 0.059 0.000 2.605 5 S HA 0.626 5.097 4.470 0.001 0.000 0.308 5 S C -0.049 174.564 174.600 0.020 0.000 1.113 5 S CA -0.401 57.833 58.200 0.056 0.000 1.049 5 S CB 1.406 64.651 63.200 0.075 0.000 1.001 5 S HN 1.041 nan 8.310 nan 0.000 0.480 6 S N 5.025 120.755 115.700 0.049 0.000 2.632 6 S HA 0.657 5.128 4.470 0.001 0.000 0.271 6 S C -2.913 171.716 174.600 0.048 0.000 1.260 6 S CA -1.302 56.907 58.200 0.014 0.000 1.010 6 S CB 0.497 63.720 63.200 0.038 0.000 0.965 6 S HN 0.499 nan 8.310 nan 0.000 0.534 7 P HA 0.466 nan 4.420 nan 0.000 0.266 7 P C 0.209 177.330 177.300 -0.300 0.000 1.195 7 P CA 0.652 63.563 63.100 -0.316 0.000 0.768 7 P CB 0.296 31.629 31.700 -0.612 0.000 0.838 8 G N 1.938 110.416 108.800 -0.537 0.000 2.358 8 G HA2 0.218 4.179 3.960 0.001 0.000 0.303 8 G HA3 0.218 4.179 3.960 0.001 0.000 0.303 8 G C -1.568 172.844 174.900 -0.814 0.000 1.537 8 G CA -0.873 43.682 45.100 -0.908 0.000 0.928 8 G HN 0.303 nan 8.290 nan 0.000 0.656 9 I N 1.536 121.787 120.570 -0.532 0.000 2.598 9 I HA 0.387 4.558 4.170 0.001 0.000 0.284 9 I C 1.731 177.751 176.117 -0.161 0.000 1.140 9 I CA 1.467 62.602 61.300 -0.274 0.000 1.420 9 I CB -0.053 37.858 38.000 -0.149 0.000 1.387 9 I HN 2.016 nan 8.210 nan 0.000 0.553 10 G N 4.833 113.586 108.800 -0.078 0.000 2.162 10 G HA2 -0.313 3.648 3.960 0.001 0.000 0.260 10 G HA3 -0.313 3.648 3.960 0.001 0.000 0.260 10 G C 0.993 176.009 174.900 0.194 0.000 0.976 10 G CA 0.528 45.670 45.100 0.070 0.000 0.655 10 G HN 0.806 nan 8.290 nan 0.000 0.533 11 H N -1.209 117.849 119.070 -0.019 0.000 2.363 11 H HA 0.116 4.673 4.556 0.001 0.000 0.301 11 H C 2.640 177.998 175.328 0.050 0.000 1.074 11 H CA 1.229 57.279 56.048 0.005 0.000 1.354 11 H CB 0.206 29.945 29.762 -0.038 0.000 1.397 11 H HN 0.392 nan 8.280 nan 0.000 0.516 12 L N 0.015 121.341 121.223 0.172 0.000 2.084 12 L HA -0.064 4.277 4.340 0.001 0.000 0.202 12 L C 1.790 178.836 176.870 0.294 0.000 1.074 12 L CA 1.204 56.150 54.840 0.176 0.000 0.757 12 L CB -0.577 41.560 42.059 0.130 0.000 0.918 12 L HN 0.024 nan 8.230 nan 0.000 0.444 13 F N 0.842 120.868 119.950 0.126 0.000 2.161 13 F HA -0.060 4.468 4.527 0.001 0.000 0.300 13 F C -0.317 175.528 175.800 0.076 0.000 1.089 13 F CA 0.805 58.898 58.000 0.156 0.000 1.282 13 F CB -2.577 36.581 39.000 0.264 0.000 1.010 13 F HN 0.229 nan 8.300 nan 0.000 0.485 14 P HA -0.099 nan 4.420 nan 0.000 0.231 14 P C 1.699 179.046 177.300 0.079 0.000 1.158 14 P CA 1.099 64.335 63.100 0.227 0.000 0.763 14 P CB -0.142 31.779 31.700 0.368 0.000 0.805 15 L N -1.854 119.400 121.223 0.051 0.000 2.446 15 L HA -0.006 4.335 4.340 0.001 0.000 0.219 15 L C 1.966 178.687 176.870 -0.249 0.000 1.116 15 L CA 0.313 55.167 54.840 0.022 0.000 0.844 15 L CB -0.464 41.656 42.059 0.101 0.000 0.970 15 L HN -0.053 nan 8.230 nan 0.000 0.457 16 I N -0.005 120.306 120.570 -0.433 0.000 2.179 16 I HA -0.233 3.938 4.170 0.001 0.000 0.242 16 I C 2.625 178.162 176.117 -0.967 0.000 1.088 16 I CA 1.343 62.101 61.300 -0.904 0.000 1.357 16 I CB -1.032 36.142 38.000 -1.377 0.000 1.051 16 I HN 0.363 nan 8.210 nan 0.000 0.409 17 Q N 0.511 119.902 119.800 -0.682 0.000 2.135 17 Q HA -0.148 4.193 4.340 0.001 0.000 0.204 17 Q C 2.446 178.365 176.000 -0.135 0.000 0.981 17 Q CA 1.335 56.909 55.803 -0.383 0.000 0.856 17 Q CB -0.491 28.093 28.738 -0.256 0.000 0.902 17 Q HN 0.520 nan 8.270 nan 0.000 0.425 18 L N -0.038 121.150 121.223 -0.058 0.000 2.056 18 L HA -0.142 4.199 4.340 0.001 0.000 0.207 18 L C 2.487 179.541 176.870 0.308 0.000 1.078 18 L CA 0.998 55.964 54.840 0.209 0.000 0.749 18 L CB -0.618 41.703 42.059 0.436 0.000 0.901 18 L HN 0.124 nan 8.230 nan 0.000 0.433 19 A N -0.414 122.275 122.820 -0.218 0.000 1.858 19 A HA -0.222 4.099 4.320 0.001 0.000 0.216 19 A C 1.948 179.556 177.584 0.040 0.000 1.190 19 A CA 1.414 53.157 52.037 -0.491 0.000 0.617 19 A CB -0.906 17.456 19.000 -1.065 0.000 0.827 19 A HN 0.470 nan 8.150 nan 0.000 0.443 20 W N -0.044 121.163 121.300 -0.155 0.000 2.338 20 W HA -0.071 4.590 4.660 0.001 0.000 0.304 20 W C 2.549 179.054 176.519 -0.023 0.000 1.212 20 W CA 0.660 57.948 57.345 -0.096 0.000 1.264 20 W CB -1.525 27.849 29.460 -0.144 0.000 1.142 20 W HN 0.398 nan 8.180 nan 0.000 0.512 21 G N -0.342 108.589 108.800 0.219 0.000 2.459 21 G HA2 -0.295 3.666 3.960 0.001 0.000 0.217 21 G HA3 -0.295 3.666 3.960 0.001 0.000 0.217 21 G C 1.476 176.402 174.900 0.043 0.000 1.183 21 G CA 1.016 46.157 45.100 0.070 0.000 0.776 21 G HN 0.149 nan 8.290 nan 0.000 0.552 22 F N 0.617 120.693 119.950 0.211 0.000 2.134 22 F HA 0.046 4.574 4.527 0.001 0.000 0.299 22 F C 2.754 178.688 175.800 0.223 0.000 1.097 22 F CA 1.436 59.599 58.000 0.272 0.000 1.264 22 F CB -0.202 38.985 39.000 0.312 0.000 1.001 22 F HN 0.010 nan 8.300 nan 0.000 0.479 23 R N 0.797 121.501 120.500 0.341 0.000 2.066 23 R HA -0.126 4.214 4.340 0.001 0.000 0.232 23 R C 2.289 178.655 176.300 0.110 0.000 1.131 23 R CA 2.210 58.439 56.100 0.215 0.000 0.955 23 R CB -1.357 29.049 30.300 0.176 0.000 0.851 23 R HN 0.362 nan 8.270 nan 0.000 0.432 24 T N -2.416 112.185 114.554 0.078 0.000 2.962 24 T HA 0.020 4.371 4.350 0.001 0.000 0.270 24 T C 1.634 176.329 174.700 -0.007 0.000 1.088 24 T CA 0.913 63.020 62.100 0.012 0.000 1.127 24 T CB -0.281 68.579 68.868 -0.012 0.000 0.883 24 T HN 0.220 nan 8.240 nan 0.000 0.493 25 A N 0.611 123.433 122.820 0.003 0.000 2.259 25 A HA 0.604 4.925 4.320 0.001 0.000 0.208 25 A C 1.977 179.412 177.584 -0.247 0.000 1.201 25 A CA 0.435 52.431 52.037 -0.069 0.000 0.824 25 A CB -1.154 17.847 19.000 0.002 0.000 0.838 25 A HN 1.299 nan 8.150 nan 0.000 0.485 26 G N -1.352 107.363 108.800 -0.140 0.000 2.175 26 G HA2 -0.202 3.759 3.960 0.001 0.000 0.244 26 G HA3 -0.202 3.759 3.960 0.001 0.000 0.244 26 G C 0.109 174.957 174.900 -0.088 0.000 0.982 26 G CA 0.237 45.266 45.100 -0.118 0.000 0.641 26 G HN 0.658 nan 8.290 nan 0.000 0.527 27 H N 0.818 119.953 119.070 0.108 0.000 2.488 27 H HA 0.434 4.991 4.556 0.001 0.000 0.347 27 H C -0.285 175.075 175.328 0.053 0.000 1.174 27 H CA -0.416 55.597 56.048 -0.058 0.000 1.307 27 H CB 0.886 30.679 29.762 0.052 0.000 1.517 27 H HN 0.166 nan 8.280 nan 0.000 0.554 28 D N 1.123 121.595 120.400 0.119 0.000 2.302 28 D HA 0.224 4.865 4.640 0.001 0.000 0.248 28 D C -0.271 176.187 176.300 0.263 0.000 1.094 28 D CA -0.129 54.015 54.000 0.240 0.000 0.897 28 D CB 1.539 42.509 40.800 0.283 0.000 1.200 28 D HN 0.076 nan 8.370 nan 0.000 0.429 29 V N 2.992 123.071 119.914 0.274 0.000 2.638 29 V HA 0.464 4.585 4.120 0.001 0.000 0.306 29 V C -0.624 175.563 176.094 0.156 0.000 1.052 29 V CA -0.820 61.634 62.300 0.257 0.000 0.885 29 V CB 2.133 34.083 31.823 0.212 0.000 0.999 29 V HN 0.302 nan 8.190 nan 0.000 0.424 30 L N 5.591 126.873 121.223 0.097 0.000 2.445 30 L HA 0.718 5.059 4.340 0.001 0.000 0.262 30 L C -1.294 175.569 176.870 -0.012 0.000 0.974 30 L CA -0.258 54.516 54.840 -0.111 0.000 0.822 30 L CB 2.077 43.791 42.059 -0.574 0.000 1.339 30 L HN 0.456 nan 8.230 nan 0.000 0.409 31 I N 3.576 124.124 120.570 -0.038 0.000 2.404 31 I HA 0.678 4.849 4.170 0.001 0.000 0.293 31 I C 0.125 176.227 176.117 -0.025 0.000 0.992 31 I CA -0.787 60.522 61.300 0.014 0.000 1.149 31 I CB 1.224 39.209 38.000 -0.024 0.000 1.315 31 I HN 0.749 nan 8.210 nan 0.000 0.446 32 A N 6.799 129.615 122.820 -0.007 0.000 2.288 32 A HA 0.790 5.111 4.320 0.001 0.000 0.320 32 A C -0.208 177.361 177.584 -0.025 0.000 1.217 32 A CA -0.428 51.588 52.037 -0.035 0.000 0.840 32 A CB 1.152 20.123 19.000 -0.048 0.000 1.179 32 A HN 0.690 nan 8.150 nan 0.000 0.504 33 V N -1.255 118.632 119.914 -0.044 0.000 3.167 33 V HA 0.932 5.053 4.120 0.001 0.000 0.310 33 V C 0.348 176.376 176.094 -0.109 0.000 1.207 33 V CA -0.070 62.190 62.300 -0.067 0.000 1.059 33 V CB 1.534 33.328 31.823 -0.048 0.000 1.079 33 V HN 1.376 nan 8.190 nan 0.000 0.446 34 A N -0.010 122.694 122.820 -0.194 0.000 2.358 34 A HA 0.596 4.917 4.320 0.001 0.000 0.223 34 A C 0.489 177.910 177.584 -0.272 0.000 1.218 34 A CA 0.454 52.339 52.037 -0.253 0.000 0.942 34 A CB 0.014 18.747 19.000 -0.446 0.000 1.005 34 A HN 0.962 nan 8.150 nan 0.000 0.514 35 E N -0.731 119.295 120.200 -0.290 0.000 2.372 35 E HA 0.428 4.779 4.350 0.001 0.000 0.279 35 E C -1.067 175.391 176.600 -0.236 0.000 0.946 35 E CA -0.822 55.365 56.400 -0.355 0.000 0.769 35 E CB 0.675 30.009 29.700 -0.609 0.000 1.230 35 E HN 0.320 nan 8.360 nan 0.000 0.442 36 H N 0.501 119.546 119.070 -0.043 0.000 2.756 36 H HA -0.198 4.359 4.556 0.001 0.000 0.315 36 H C 0.555 175.873 175.328 -0.015 0.000 1.210 36 H CA 0.741 56.770 56.048 -0.033 0.000 1.150 36 H CB -2.013 27.716 29.762 -0.055 0.000 1.463 36 H HN 0.559 nan 8.280 nan 0.000 0.427 37 A N 0.518 123.387 122.820 0.082 0.000 2.015 37 A HA -0.184 4.136 4.320 0.001 0.000 0.219 37 A C 2.288 179.910 177.584 0.064 0.000 1.163 37 A CA 1.431 53.498 52.037 0.050 0.000 0.646 37 A CB -0.042 18.970 19.000 0.021 0.000 0.806 37 A HN 0.638 nan 8.150 nan 0.000 0.448 38 D N 0.342 120.785 120.400 0.072 0.000 2.133 38 D HA -0.259 4.382 4.640 0.001 0.000 0.195 38 D C 1.844 178.193 176.300 0.082 0.000 0.997 38 D CA 1.559 55.596 54.000 0.062 0.000 0.840 38 D CB -0.637 40.190 40.800 0.045 0.000 0.947 38 D HN 0.514 nan 8.370 nan 0.000 0.452 39 R N 0.691 121.253 120.500 0.105 0.000 2.091 39 R HA -0.034 4.307 4.340 0.001 0.000 0.238 39 R C 2.647 179.071 176.300 0.207 0.000 1.136 39 R CA 1.716 57.921 56.100 0.174 0.000 0.959 39 R CB -0.449 29.964 30.300 0.189 0.000 0.856 39 R HN 0.316 nan 8.270 nan 0.000 0.437 40 A N 0.905 123.811 122.820 0.144 0.000 1.930 40 A HA -0.035 4.286 4.320 0.001 0.000 0.217 40 A C 2.299 179.922 177.584 0.066 0.000 1.175 40 A CA 1.496 53.586 52.037 0.089 0.000 0.627 40 A CB -0.494 18.531 19.000 0.041 0.000 0.815 40 A HN 0.398 nan 8.150 nan 0.000 0.443 41 A N -0.315 122.547 122.820 0.069 0.000 2.014 41 A HA 0.300 4.621 4.320 0.001 0.000 0.218 41 A C 2.265 179.901 177.584 0.086 0.000 1.163 41 A CA 1.495 53.570 52.037 0.062 0.000 0.652 41 A CB -0.692 18.337 19.000 0.049 0.000 0.808 41 A HN 1.007 nan 8.150 nan 0.000 0.449 42 A N -0.650 122.236 122.820 0.109 0.000 2.209 42 A HA 0.405 4.725 4.320 0.001 0.000 0.212 42 A C 1.861 179.563 177.584 0.196 0.000 1.158 42 A CA 1.138 53.255 52.037 0.134 0.000 0.742 42 A CB -0.516 18.562 19.000 0.130 0.000 0.790 42 A HN 0.935 nan 8.150 nan 0.000 0.472 43 A N -1.462 121.469 122.820 0.186 0.000 2.337 43 A HA 0.451 4.772 4.320 0.001 0.000 0.227 43 A C 1.580 179.340 177.584 0.292 0.000 1.259 43 A CA 0.840 53.014 52.037 0.228 0.000 0.870 43 A CB -0.916 18.048 19.000 -0.059 0.000 0.927 43 A HN 1.717 nan 8.150 nan 0.000 0.497 44 G N -0.872 108.032 108.800 0.174 0.000 2.160 44 G HA2 -0.221 3.740 3.960 0.001 0.000 0.251 44 G HA3 -0.221 3.740 3.960 0.001 0.000 0.251 44 G C -0.002 174.959 174.900 0.102 0.000 1.008 44 G CA 0.597 45.768 45.100 0.119 0.000 0.724 44 G HN 0.479 nan 8.290 nan 0.000 0.514 45 L N -0.580 120.692 121.223 0.082 0.000 2.334 45 L HA 0.634 4.975 4.340 0.001 0.000 0.270 45 L C 0.518 177.401 176.870 0.022 0.000 1.018 45 L CA -1.080 53.785 54.840 0.041 0.000 0.811 45 L CB 1.325 43.374 42.059 -0.017 0.000 1.271 45 L HN 0.118 nan 8.230 nan 0.000 0.443 46 E N 0.790 120.996 120.200 0.010 0.000 2.227 46 E HA 0.480 4.831 4.350 0.001 0.000 0.282 46 E C -1.284 175.298 176.600 -0.030 0.000 1.015 46 E CA -0.467 55.930 56.400 -0.004 0.000 0.823 46 E CB 2.011 31.710 29.700 -0.002 0.000 1.081 46 E HN 0.189 nan 8.360 nan 0.000 0.396 47 V N 2.757 122.655 119.914 -0.026 0.000 2.789 47 V HA 0.389 4.510 4.120 0.001 0.000 0.311 47 V C -0.419 175.650 176.094 -0.042 0.000 1.073 47 V CA -0.983 61.296 62.300 -0.034 0.000 0.921 47 V CB 1.976 33.793 31.823 -0.010 0.000 1.009 47 V HN 0.376 nan 8.190 nan 0.000 0.426 48 V N 2.101 121.980 119.914 -0.058 0.000 2.495 48 V HA 0.422 4.543 4.120 0.001 0.000 0.298 48 V C -0.526 175.542 176.094 -0.043 0.000 1.031 48 V CA -0.432 61.836 62.300 -0.053 0.000 0.871 48 V CB 1.955 33.733 31.823 -0.076 0.000 0.988 48 V HN 0.960 nan 8.190 nan 0.000 0.432 49 D N 3.691 124.072 120.400 -0.032 0.000 2.411 49 D HA 0.145 4.786 4.640 0.001 0.000 0.225 49 D C 0.861 177.142 176.300 -0.032 0.000 1.156 49 D CA -0.278 53.703 54.000 -0.033 0.000 0.874 49 D CB 1.675 42.462 40.800 -0.020 0.000 1.034 49 D HN 0.409 nan 8.370 nan 0.000 0.502 50 V N 1.889 121.777 119.914 -0.043 0.000 3.573 50 V HA 0.396 4.517 4.120 0.001 0.000 0.270 50 V C 0.824 176.905 176.094 -0.022 0.000 1.221 50 V CA 0.463 62.740 62.300 -0.037 0.000 1.163 50 V CB -0.615 31.178 31.823 -0.051 0.000 0.847 50 V HN 0.535 nan 8.190 nan 0.000 0.468 51 A N 1.207 124.018 122.820 -0.014 0.000 3.216 51 A HA 0.663 4.984 4.320 0.001 0.000 0.321 51 A C -1.219 176.391 177.584 0.042 0.000 1.042 51 A CA -0.863 51.189 52.037 0.024 0.000 0.838 51 A CB 0.529 19.557 19.000 0.046 0.000 1.136 51 A HN 0.286 nan 8.150 nan 0.000 0.483 52 P HA -0.114 nan 4.420 nan 0.000 0.219 52 P C -0.115 177.202 177.300 0.029 0.000 1.146 52 P CA 1.305 64.418 63.100 0.022 0.000 0.808 52 P CB 0.271 31.978 31.700 0.012 0.000 0.779 53 D N -1.754 118.665 120.400 0.032 0.000 2.559 53 D HA 0.055 4.696 4.640 0.001 0.000 0.234 53 D C 0.115 176.419 176.300 0.007 0.000 1.226 53 D CA -0.634 53.374 54.000 0.012 0.000 0.830 53 D CB -0.850 39.947 40.800 -0.005 0.000 1.028 53 D HN 0.194 nan 8.370 nan 0.000 0.492 54 Y N 2.711 122.974 120.300 -0.062 0.000 2.526 54 Y HA 0.235 4.786 4.550 0.001 0.000 0.330 54 Y C 0.268 176.113 175.900 -0.093 0.000 1.156 54 Y CA -0.235 57.814 58.100 -0.084 0.000 1.419 54 Y CB 0.508 38.909 38.460 -0.098 0.000 1.250 54 Y HN -0.051 nan 8.280 nan 0.000 0.540 55 S N 3.742 118.879 115.700 -0.938 0.000 2.537 55 S HA 0.633 5.104 4.470 0.001 0.000 0.271 55 S C 0.167 174.247 174.600 -0.866 0.000 1.148 55 S CA -0.525 57.245 58.200 -0.715 0.000 0.868 55 S CB 1.023 64.042 63.200 -0.301 0.000 1.115 55 S HN 1.098 nan 8.310 nan 0.000 0.461 56 A N 2.279 124.741 122.820 -0.597 0.000 1.892 56 A HA -0.026 4.295 4.320 0.001 0.000 0.218 56 A C 2.007 179.304 177.584 -0.479 0.000 1.188 56 A CA 2.321 54.026 52.037 -0.552 0.000 0.631 56 A CB -1.448 17.435 19.000 -0.196 0.000 0.822 56 A HN 1.264 nan 8.150 nan 0.000 0.447 57 V N 0.067 119.881 119.914 -0.166 0.000 2.332 57 V HA -0.307 3.814 4.120 0.001 0.000 0.248 57 V C 2.415 178.461 176.094 -0.079 0.000 1.055 57 V CA 2.410 64.711 62.300 0.001 0.000 1.038 57 V CB -0.775 31.049 31.823 0.002 0.000 0.651 57 V HN 0.544 nan 8.190 nan 0.000 0.450 58 K N -0.240 120.040 120.400 -0.199 0.000 2.097 58 K HA -0.090 4.231 4.320 0.001 0.000 0.205 58 K C 2.139 178.602 176.600 -0.227 0.000 1.050 58 K CA 1.179 57.352 56.287 -0.189 0.000 0.938 58 K CB -0.363 32.011 32.500 -0.211 0.000 0.718 58 K HN 0.347 nan 8.250 nan 0.000 0.442 59 V N 1.053 120.728 119.914 -0.399 0.000 2.287 59 V HA -0.253 3.867 4.120 0.001 0.000 0.248 59 V C 2.017 177.947 176.094 -0.275 0.000 1.053 59 V CA 1.830 63.884 62.300 -0.410 0.000 1.027 59 V CB -0.529 30.926 31.823 -0.613 0.000 0.646 59 V HN 0.150 nan 8.190 nan 0.000 0.447 60 F N 0.432 120.337 119.950 -0.076 0.000 2.234 60 F HA -0.073 4.455 4.527 0.001 0.000 0.299 60 F C 2.393 178.163 175.800 -0.049 0.000 1.087 60 F CA 1.059 59.033 58.000 -0.043 0.000 1.340 60 F CB -0.761 38.228 39.000 -0.019 0.000 1.031 60 F HN 0.249 nan 8.300 nan 0.000 0.500 61 E N -0.311 119.945 120.200 0.093 0.000 2.072 61 E HA -0.261 4.090 4.350 0.001 0.000 0.191 61 E C 2.110 178.708 176.600 -0.003 0.000 0.985 61 E CA 1.144 57.565 56.400 0.034 0.000 0.801 61 E CB -0.230 29.473 29.700 0.004 0.000 0.750 61 E HN 0.268 nan 8.360 nan 0.000 0.452 62 Q N 0.865 120.642 119.800 -0.039 0.000 2.061 62 Q HA -0.157 4.184 4.340 0.001 0.000 0.204 62 Q C 2.107 178.059 176.000 -0.081 0.000 0.984 62 Q CA 1.508 57.275 55.803 -0.060 0.000 0.846 62 Q CB -0.223 28.464 28.738 -0.084 0.000 0.902 62 Q HN 0.111 nan 8.270 nan 0.000 0.421 63 V N 0.688 120.548 119.914 -0.091 0.000 2.343 63 V HA -0.283 3.838 4.120 0.001 0.000 0.247 63 V C 2.296 178.347 176.094 -0.070 0.000 1.051 63 V CA 1.791 64.000 62.300 -0.151 0.000 1.036 63 V CB -1.367 30.379 31.823 -0.129 0.000 0.654 63 V HN 0.532 nan 8.190 nan 0.000 0.451 64 A N -0.344 122.478 122.820 0.004 0.000 1.940 64 A HA -0.210 4.111 4.320 0.001 0.000 0.219 64 A C 2.281 179.867 177.584 0.004 0.000 1.176 64 A CA 1.659 53.707 52.037 0.017 0.000 0.631 64 A CB -0.380 18.638 19.000 0.031 0.000 0.814 64 A HN 0.439 nan 8.150 nan 0.000 0.446 65 K N -0.245 120.152 120.400 -0.005 0.000 2.148 65 K HA -0.098 4.223 4.320 0.001 0.000 0.204 65 K C 1.038 177.643 176.600 0.009 0.000 1.050 65 K CA 1.432 57.720 56.287 0.002 0.000 0.942 65 K CB -0.297 32.202 32.500 -0.000 0.000 0.724 65 K HN 0.456 nan 8.250 nan 0.000 0.446 66 D N -0.012 120.381 120.400 -0.013 0.000 2.262 66 D HA -0.043 4.598 4.640 0.001 0.000 0.212 66 D C 0.234 176.550 176.300 0.027 0.000 0.964 66 D CA 0.730 54.741 54.000 0.018 0.000 0.875 66 D CB 0.136 40.903 40.800 -0.054 0.000 0.996 66 D HN 0.028 nan 8.370 nan 0.000 0.497 67 N N -0.326 118.357 118.700 -0.028 0.000 2.653 67 N HA 0.161 4.902 4.740 0.001 0.000 0.261 67 N C -2.501 173.033 175.510 0.041 0.000 1.216 67 N CA -1.464 51.598 53.050 0.020 0.000 0.784 67 N CB 1.794 40.289 38.487 0.014 0.000 1.327 67 N HN -0.291 nan 8.380 nan 0.000 0.539 68 P HA 0.010 nan 4.420 nan 0.000 0.225 68 P C 0.839 178.160 177.300 0.035 0.000 1.148 68 P CA 0.787 63.906 63.100 0.031 0.000 0.779 68 P CB 0.419 32.131 31.700 0.021 0.000 0.780 69 R N -2.513 118.014 120.500 0.045 0.000 2.312 69 R HA 0.203 4.544 4.340 0.001 0.000 0.205 69 R C 1.694 178.004 176.300 0.016 0.000 0.904 69 R CA -0.020 56.092 56.100 0.020 0.000 1.052 69 R CB -1.099 29.206 30.300 0.008 0.000 1.014 69 R HN 0.264 nan 8.270 nan 0.000 0.503 70 F N 1.901 121.786 119.950 -0.107 0.000 2.134 70 F HA -0.164 4.364 4.527 0.001 0.000 0.299 70 F C 2.180 177.873 175.800 -0.178 0.000 1.097 70 F CA 1.565 59.463 58.000 -0.170 0.000 1.264 70 F CB -0.083 38.799 39.000 -0.196 0.000 1.001 70 F HN 0.040 nan 8.300 nan 0.000 0.479 71 A N -0.493 122.343 122.820 0.027 0.000 1.908 71 A HA -0.170 4.151 4.320 0.001 0.000 0.218 71 A C 1.832 179.324 177.584 -0.153 0.000 1.181 71 A CA 1.846 53.851 52.037 -0.054 0.000 0.627 71 A CB -0.535 18.455 19.000 -0.016 0.000 0.818 71 A HN 0.424 nan 8.150 nan 0.000 0.445 72 E N -0.741 119.381 120.200 -0.130 0.000 2.499 72 E HA 0.087 4.438 4.350 0.001 0.000 0.199 72 E C 0.968 177.481 176.600 -0.145 0.000 1.016 72 E CA 0.837 57.166 56.400 -0.119 0.000 0.933 72 E CB 0.298 29.953 29.700 -0.074 0.000 1.050 72 E HN 0.843 nan 8.360 nan 0.000 0.462 73 T N -4.203 110.211 114.554 -0.233 0.000 3.216 73 T HA 0.063 4.414 4.350 0.001 0.000 0.167 73 T C 1.834 176.306 174.700 -0.380 0.000 0.905 73 T CA 0.282 62.235 62.100 -0.246 0.000 1.042 73 T CB -0.518 68.233 68.868 -0.196 0.000 1.787 73 T HN -0.134 nan 8.240 nan 0.000 0.355 74 V N 2.828 122.363 119.914 -0.631 0.000 2.392 74 V HA -0.024 4.097 4.120 0.001 0.000 0.249 74 V C 3.199 178.728 176.094 -0.941 0.000 1.059 74 V CA 2.165 63.955 62.300 -0.849 0.000 1.051 74 V CB -1.455 29.633 31.823 -1.225 0.000 0.658 74 V HN 0.802 nan 8.190 nan 0.000 0.455 75 A N 0.349 122.493 122.820 -1.127 0.000 2.119 75 A HA -0.101 4.220 4.320 0.001 0.000 0.217 75 A C 2.174 179.697 177.584 -0.103 0.000 1.153 75 A CA 1.657 53.311 52.037 -0.638 0.000 0.692 75 A CB -0.583 18.164 19.000 -0.422 0.000 0.799 75 A HN 0.640 nan 8.150 nan 0.000 0.458 76 T N -1.957 112.499 114.554 -0.163 0.000 3.145 76 T HA 0.313 4.664 4.350 0.001 0.000 0.255 76 T C 0.484 175.174 174.700 -0.016 0.000 1.039 76 T CA -0.291 61.777 62.100 -0.053 0.000 0.928 76 T CB -0.301 68.520 68.868 -0.079 0.000 1.029 76 T HN 0.651 nan 8.240 nan 0.000 0.554 77 R N -0.488 120.009 120.500 -0.004 0.000 2.799 77 R HA 0.669 5.010 4.340 0.001 0.000 0.270 77 R C -3.526 172.805 176.300 0.052 0.000 1.010 77 R CA -2.245 53.861 56.100 0.009 0.000 0.916 77 R CB -0.028 30.251 30.300 -0.035 0.000 1.228 77 R HN -0.111 nan 8.270 nan 0.000 0.469 78 P HA 0.118 nan 4.420 nan 0.000 0.270 78 P C -0.980 176.320 177.300 0.001 0.000 1.223 78 P CA -0.160 62.939 63.100 -0.002 0.000 0.785 78 P CB 0.657 32.358 31.700 0.001 0.000 0.923 79 A N 2.089 124.860 122.820 -0.083 0.000 2.305 79 A HA 0.469 4.790 4.320 0.001 0.000 0.322 79 A C 0.743 178.389 177.584 0.103 0.000 1.187 79 A CA -0.466 51.555 52.037 -0.026 0.000 0.825 79 A CB -0.027 18.658 19.000 -0.524 0.000 1.164 79 A HN 0.552 nan 8.150 nan 0.000 0.498 80 I N 0.099 120.740 120.570 0.119 0.000 3.616 80 I HA 0.142 4.313 4.170 0.001 0.000 0.296 80 I C -0.013 176.302 176.117 0.330 0.000 1.226 80 I CA 0.590 61.941 61.300 0.085 0.000 1.394 80 I CB 0.482 38.446 38.000 -0.061 0.000 1.171 80 I HN 0.537 nan 8.210 nan 0.000 0.442 81 D N 0.351 120.924 120.400 0.288 0.000 2.964 81 D HA 0.288 4.928 4.640 0.001 0.000 0.234 81 D C 0.650 177.061 176.300 0.185 0.000 1.223 81 D CA -0.326 53.839 54.000 0.275 0.000 0.889 81 D CB 2.758 43.675 40.800 0.194 0.000 1.609 81 D HN -0.066 nan 8.370 nan 0.000 0.523 82 L N 1.682 122.949 121.223 0.074 0.000 2.079 82 L HA -0.143 4.197 4.340 0.001 0.000 0.210 82 L C 2.341 179.296 176.870 0.143 0.000 1.081 82 L CA 0.991 55.812 54.840 -0.033 0.000 0.752 82 L CB -0.152 41.811 42.059 -0.160 0.000 0.896 82 L HN 0.518 nan 8.230 nan 0.000 0.433 83 E N 1.019 121.296 120.200 0.129 0.000 2.160 83 E HA -0.260 4.091 4.350 0.001 0.000 0.195 83 E C 1.791 178.511 176.600 0.201 0.000 0.991 83 E CA 1.390 57.871 56.400 0.134 0.000 0.810 83 E CB 0.052 29.814 29.700 0.102 0.000 0.742 83 E HN 0.565 nan 8.360 nan 0.000 0.466 84 E N -1.112 119.240 120.200 0.254 0.000 2.204 84 E HA -0.178 4.173 4.350 0.001 0.000 0.195 84 E C 1.024 177.792 176.600 0.280 0.000 0.990 84 E CA 0.945 57.494 56.400 0.249 0.000 0.821 84 E CB -0.178 29.673 29.700 0.251 0.000 0.750 84 E HN 0.356 nan 8.360 nan 0.000 0.477 85 W N 0.199 121.612 121.300 0.188 0.000 3.388 85 W HA 0.258 4.918 4.660 0.001 0.000 0.324 85 W C 1.896 178.423 176.519 0.014 0.000 1.250 85 W CA 0.080 57.569 57.345 0.240 0.000 1.809 85 W CB -0.179 29.436 29.460 0.258 0.000 1.083 85 W HN 0.054 nan 8.180 nan 0.000 0.685 86 G N 0.443 109.345 108.800 0.172 0.000 2.556 86 G HA2 -0.362 3.599 3.960 0.001 0.000 0.220 86 G HA3 -0.362 3.599 3.960 0.001 0.000 0.220 86 G C 1.625 176.437 174.900 -0.146 0.000 1.156 86 G CA 1.657 46.819 45.100 0.103 0.000 0.766 86 G HN 0.228 nan 8.290 nan 0.000 0.583 87 V N 0.190 119.774 119.914 -0.551 0.000 2.407 87 V HA -0.188 3.933 4.120 0.001 0.000 0.248 87 V C 2.669 178.285 176.094 -0.796 0.000 1.055 87 V CA 2.966 64.516 62.300 -1.251 0.000 1.049 87 V CB -0.055 30.947 31.823 -1.368 0.000 0.662 87 V HN 0.586 nan 8.190 nan 0.000 0.455 88 Q N -0.609 118.792 119.800 -0.665 0.000 2.096 88 Q HA -0.052 4.289 4.340 0.001 0.000 0.197 88 Q C 2.078 178.020 176.000 -0.097 0.000 0.964 88 Q CA 1.944 57.540 55.803 -0.344 0.000 0.838 88 Q CB -0.200 28.465 28.738 -0.122 0.000 0.906 88 Q HN 0.722 nan 8.270 nan 0.000 0.444 89 I N 0.742 121.309 120.570 -0.006 0.000 2.286 89 I HA -0.264 3.907 4.170 0.001 0.000 0.248 89 I C 2.336 178.456 176.117 0.006 0.000 1.115 89 I CA 0.957 62.281 61.300 0.040 0.000 1.392 89 I CB -0.405 37.641 38.000 0.076 0.000 1.065 89 I HN 0.285 nan 8.210 nan 0.000 0.418 90 A N 0.786 123.582 122.820 -0.040 0.000 1.933 90 A HA -0.135 4.186 4.320 0.001 0.000 0.218 90 A C 2.556 180.119 177.584 -0.034 0.000 1.175 90 A CA 1.778 53.812 52.037 -0.006 0.000 0.628 90 A CB -0.746 18.281 19.000 0.045 0.000 0.814 90 A HN 0.424 nan 8.150 nan 0.000 0.444 91 A N -0.535 122.220 122.820 -0.108 0.000 1.930 91 A HA 0.036 4.356 4.320 0.001 0.000 0.217 91 A C 2.202 179.766 177.584 -0.033 0.000 1.175 91 A CA 1.676 53.655 52.037 -0.097 0.000 0.627 91 A CB -0.844 18.057 19.000 -0.165 0.000 0.815 91 A HN 0.377 nan 8.150 nan 0.000 0.443 92 V N 1.025 120.940 119.914 0.003 0.000 2.295 92 V HA -0.271 3.850 4.120 0.001 0.000 0.246 92 V C 2.238 178.388 176.094 0.092 0.000 1.049 92 V CA 2.131 64.498 62.300 0.112 0.000 1.024 92 V CB -0.886 30.985 31.823 0.079 0.000 0.648 92 V HN 0.594 nan 8.190 nan 0.000 0.447 93 N N -0.082 118.643 118.700 0.042 0.000 2.270 93 N HA -0.149 4.592 4.740 0.001 0.000 0.181 93 N C 2.040 177.566 175.510 0.027 0.000 1.016 93 N CA 1.073 54.137 53.050 0.023 0.000 0.870 93 N CB -0.182 38.318 38.487 0.021 0.000 0.979 93 N HN 0.465 nan 8.380 nan 0.000 0.431 94 R N 1.632 122.152 120.500 0.033 0.000 2.133 94 R HA -0.140 4.201 4.340 0.001 0.000 0.245 94 R C -0.944 175.380 176.300 0.040 0.000 1.137 94 R CA 1.850 57.969 56.100 0.033 0.000 0.947 94 R CB -0.979 29.333 30.300 0.020 0.000 0.865 94 R HN 0.162 nan 8.270 nan 0.000 0.437 95 P HA -0.054 nan 4.420 nan 0.000 0.230 95 P C 0.595 177.926 177.300 0.052 0.000 1.158 95 P CA 0.893 64.037 63.100 0.074 0.000 0.769 95 P CB 0.097 31.890 31.700 0.155 0.000 0.807 96 L N -2.060 119.178 121.223 0.026 0.000 2.477 96 L HA 0.007 4.348 4.340 0.001 0.000 0.220 96 L C 2.257 179.106 176.870 -0.036 0.000 1.106 96 L CA 0.747 55.576 54.840 -0.018 0.000 0.851 96 L CB -1.037 40.994 42.059 -0.047 0.000 0.994 96 L HN -0.191 nan 8.230 nan 0.000 0.462 97 V N -0.362 119.537 119.914 -0.025 0.000 2.261 97 V HA -0.268 3.853 4.120 0.001 0.000 0.246 97 V C 2.103 178.121 176.094 -0.125 0.000 1.047 97 V CA 1.884 64.145 62.300 -0.065 0.000 1.015 97 V CB -0.409 31.410 31.823 -0.007 0.000 0.642 97 V HN 0.377 nan 8.190 nan 0.000 0.446 98 D N 0.577 120.965 120.400 -0.020 0.000 2.117 98 D HA -0.103 4.538 4.640 0.001 0.000 0.197 98 D C 2.183 178.452 176.300 -0.052 0.000 0.987 98 D CA 1.671 55.679 54.000 0.012 0.000 0.829 98 D CB -0.594 40.276 40.800 0.118 0.000 0.961 98 D HN 0.468 nan 8.370 nan 0.000 0.460 99 G N -0.209 108.569 108.800 -0.036 0.000 2.408 99 G HA2 -0.195 3.766 3.960 0.001 0.000 0.217 99 G HA3 -0.195 3.766 3.960 0.001 0.000 0.217 99 G C 1.685 176.546 174.900 -0.064 0.000 1.150 99 G CA 1.230 46.308 45.100 -0.037 0.000 0.776 99 G HN 0.228 nan 8.290 nan 0.000 0.542 100 T N 1.525 116.026 114.554 -0.089 0.000 2.821 100 T HA -0.041 4.309 4.350 0.001 0.000 0.267 100 T C 2.546 177.170 174.700 -0.126 0.000 1.046 100 T CA 0.943 62.983 62.100 -0.100 0.000 1.139 100 T CB -0.130 68.674 68.868 -0.105 0.000 0.871 100 T HN 0.033 nan 8.240 nan 0.000 0.454 101 M N 1.351 120.826 119.600 -0.209 0.000 2.117 101 M HA 0.072 4.553 4.480 0.001 0.000 0.262 101 M C 2.841 179.072 176.300 -0.114 0.000 1.065 101 M CA 1.299 56.454 55.300 -0.243 0.000 1.114 101 M CB -1.515 30.740 32.600 -0.575 0.000 1.361 101 M HN 0.308 nan 8.290 nan 0.000 0.408 102 A N 0.136 122.909 122.820 -0.078 0.000 1.933 102 A HA -0.157 4.164 4.320 0.001 0.000 0.218 102 A C 2.234 179.813 177.584 -0.008 0.000 1.175 102 A CA 1.353 53.379 52.037 -0.020 0.000 0.628 102 A CB -0.856 18.142 19.000 -0.002 0.000 0.814 102 A HN 0.412 nan 8.150 nan 0.000 0.444 103 L N -0.221 120.989 121.223 -0.021 0.000 2.027 103 L HA -0.078 4.263 4.340 0.001 0.000 0.206 103 L C 2.409 179.307 176.870 0.047 0.000 1.074 103 L CA 1.778 56.616 54.840 -0.003 0.000 0.745 103 L CB -0.593 41.440 42.059 -0.042 0.000 0.898 103 L HN 0.145 nan 8.230 nan 0.000 0.433 104 V N 0.090 120.015 119.914 0.019 0.000 2.287 104 V HA -0.320 3.801 4.120 0.001 0.000 0.248 104 V C 2.288 178.405 176.094 0.039 0.000 1.053 104 V CA 2.034 64.357 62.300 0.039 0.000 1.027 104 V CB -0.796 31.015 31.823 -0.021 0.000 0.646 104 V HN 0.461 nan 8.190 nan 0.000 0.447 105 D N -0.096 120.314 120.400 0.016 0.000 2.123 105 D HA -0.159 4.482 4.640 0.001 0.000 0.196 105 D C 1.914 178.234 176.300 0.034 0.000 0.992 105 D CA 1.465 55.475 54.000 0.017 0.000 0.833 105 D CB -0.321 40.487 40.800 0.013 0.000 0.954 105 D HN 0.442 nan 8.370 nan 0.000 0.455 106 D N -0.945 119.490 120.400 0.057 0.000 2.137 106 D HA -0.123 4.518 4.640 0.001 0.000 0.202 106 D C 1.851 178.227 176.300 0.127 0.000 0.970 106 D CA 0.629 54.675 54.000 0.077 0.000 0.837 106 D CB -0.297 40.550 40.800 0.078 0.000 0.981 106 D HN 0.243 nan 8.370 nan 0.000 0.475 107 Y N 1.326 121.621 120.300 -0.009 0.000 2.448 107 Y HA 0.103 4.654 4.550 0.001 0.000 0.289 107 Y C 0.015 175.912 175.900 -0.006 0.000 1.114 107 Y CA 0.496 58.594 58.100 -0.003 0.000 1.235 107 Y CB 0.294 38.749 38.460 -0.009 0.000 1.045 107 Y HN -0.208 nan 8.280 nan 0.000 0.554 108 R N 0.678 121.154 120.500 -0.040 0.000 3.059 108 R HA -0.150 4.191 4.340 0.001 0.000 0.251 108 R C -2.694 173.442 176.300 -0.273 0.000 0.886 108 R CA 0.461 56.484 56.100 -0.129 0.000 0.634 108 R CB -2.054 28.181 30.300 -0.108 0.000 1.282 108 R HN 0.318 nan 8.270 nan 0.000 0.487 109 P HA 0.066 nan 4.420 nan 0.000 0.274 109 P C -0.010 177.181 177.300 -0.181 0.000 1.231 109 P CA -0.191 62.763 63.100 -0.242 0.000 0.790 109 P CB 0.677 32.369 31.700 -0.013 0.000 0.951 110 D N 0.356 120.637 120.400 -0.198 0.000 2.348 110 D HA 0.102 4.743 4.640 0.001 0.000 0.211 110 D C 0.336 176.535 176.300 -0.168 0.000 0.998 110 D CA 0.843 54.747 54.000 -0.161 0.000 0.873 110 D CB 0.381 41.083 40.800 -0.162 0.000 0.925 110 D HN 0.161 nan 8.370 nan 0.000 0.524 111 L N 0.349 121.449 121.223 -0.206 0.000 2.549 111 L HA 0.290 4.631 4.340 0.001 0.000 0.259 111 L C -1.768 174.947 176.870 -0.257 0.000 0.934 111 L CA -0.726 53.969 54.840 -0.242 0.000 0.865 111 L CB 2.381 44.235 42.059 -0.343 0.000 1.352 111 L HN -0.362 nan 8.230 nan 0.000 0.410 112 V N 4.950 124.731 119.914 -0.221 0.000 2.384 112 V HA 0.603 4.724 4.120 0.001 0.000 0.287 112 V C -0.501 175.453 176.094 -0.234 0.000 1.020 112 V CA -0.687 61.486 62.300 -0.212 0.000 0.850 112 V CB 1.743 33.488 31.823 -0.131 0.000 0.987 112 V HN 0.525 nan 8.190 nan 0.000 0.436 113 V N 6.531 126.182 119.914 -0.437 0.000 2.370 113 V HA 0.540 4.661 4.120 0.001 0.000 0.283 113 V C -0.662 175.317 176.094 -0.192 0.000 1.023 113 V CA -0.618 61.411 62.300 -0.452 0.000 0.857 113 V CB 0.976 32.213 31.823 -0.976 0.000 0.985 113 V HN 0.879 nan 8.190 nan 0.000 0.443 114 Y N 1.998 122.180 120.300 -0.197 0.000 2.477 114 Y HA 0.828 5.379 4.550 0.001 0.000 0.347 114 Y C -0.109 175.746 175.900 -0.075 0.000 0.981 114 Y CA -1.622 56.409 58.100 -0.116 0.000 1.033 114 Y CB 1.156 39.534 38.460 -0.138 0.000 1.245 114 Y HN 0.733 nan 8.280 nan 0.000 0.455 115 E N 1.278 121.423 120.200 -0.091 0.000 2.390 115 E HA 0.055 4.406 4.350 0.001 0.000 0.261 115 E C 0.905 177.409 176.600 -0.160 0.000 1.076 115 E CA -0.303 55.994 56.400 -0.171 0.000 0.905 115 E CB 1.015 30.640 29.700 -0.125 0.000 0.984 115 E HN 0.871 nan 8.360 nan 0.000 0.427 116 Q N 1.885 121.574 119.800 -0.185 0.000 2.173 116 Q HA -0.192 4.149 4.340 0.001 0.000 0.208 116 Q C 1.553 177.601 176.000 0.080 0.000 0.989 116 Q CA 2.056 57.834 55.803 -0.043 0.000 0.872 116 Q CB -0.554 28.145 28.738 -0.066 0.000 0.909 116 Q HN 0.848 nan 8.270 nan 0.000 0.420 117 G N -0.664 108.059 108.800 -0.129 0.000 2.920 117 G HA2 0.194 4.155 3.960 0.001 0.000 0.208 117 G HA3 0.194 4.155 3.960 0.001 0.000 0.208 117 G C 0.321 175.256 174.900 0.060 0.000 1.159 117 G CA 0.285 45.346 45.100 -0.066 0.000 0.784 117 G HN 0.384 nan 8.290 nan 0.000 0.535 118 A N 0.657 123.547 122.820 0.117 0.000 3.094 118 A HA 0.509 4.830 4.320 0.001 0.000 0.288 118 A C 1.552 179.151 177.584 0.025 0.000 1.519 118 A CA -0.042 52.052 52.037 0.095 0.000 1.227 118 A CB -0.270 18.785 19.000 0.091 0.000 1.175 118 A HN 0.075 nan 8.150 nan 0.000 0.568 119 T N 0.223 114.794 114.554 0.028 0.000 2.849 119 T HA -0.160 4.191 4.350 0.001 0.000 0.270 119 T C 1.912 176.469 174.700 -0.237 0.000 1.066 119 T CA 1.646 63.663 62.100 -0.138 0.000 1.130 119 T CB -0.205 68.713 68.868 0.085 0.000 0.864 119 T HN 0.448 nan 8.240 nan 0.000 0.481 120 V N 1.668 121.498 119.914 -0.139 0.000 2.453 120 V HA -0.157 3.964 4.120 0.001 0.000 0.252 120 V C 2.525 178.483 176.094 -0.227 0.000 1.068 120 V CA 2.270 64.481 62.300 -0.148 0.000 1.070 120 V CB -1.085 30.684 31.823 -0.091 0.000 0.664 120 V HN 0.590 nan 8.190 nan 0.000 0.461 121 G N -0.547 108.075 108.800 -0.296 0.000 2.422 121 G HA2 -0.233 3.728 3.960 0.001 0.000 0.218 121 G HA3 -0.233 3.728 3.960 0.001 0.000 0.218 121 G C 1.524 176.076 174.900 -0.580 0.000 1.146 121 G CA 1.188 46.060 45.100 -0.381 0.000 0.769 121 G HN 0.536 nan 8.290 nan 0.000 0.547 122 L N -0.092 120.641 121.223 -0.817 0.000 2.056 122 L HA 0.032 4.373 4.340 0.001 0.000 0.207 122 L C 2.896 179.561 176.870 -0.343 0.000 1.078 122 L CA 0.485 54.949 54.840 -0.627 0.000 0.749 122 L CB -0.355 41.314 42.059 -0.649 0.000 0.901 122 L HN 0.180 nan 8.230 nan 0.000 0.433 123 L N -0.469 120.586 121.223 -0.280 0.000 2.046 123 L HA -0.212 4.129 4.340 0.001 0.000 0.208 123 L C 2.891 179.662 176.870 -0.165 0.000 1.077 123 L CA 1.175 55.908 54.840 -0.179 0.000 0.747 123 L CB -0.854 41.122 42.059 -0.139 0.000 0.896 123 L HN 0.257 nan 8.230 nan 0.000 0.432 124 A N 0.238 122.947 122.820 -0.185 0.000 1.902 124 A HA -0.175 4.146 4.320 0.001 0.000 0.217 124 A C 2.576 180.080 177.584 -0.134 0.000 1.181 124 A CA 1.778 53.724 52.037 -0.151 0.000 0.623 124 A CB -0.716 18.200 19.000 -0.141 0.000 0.818 124 A HN 0.398 nan 8.150 nan 0.000 0.443 125 A N -0.184 122.537 122.820 -0.165 0.000 1.908 125 A HA -0.239 4.082 4.320 0.001 0.000 0.218 125 A C 1.847 179.362 177.584 -0.115 0.000 1.181 125 A CA 2.282 54.234 52.037 -0.141 0.000 0.627 125 A CB -0.785 18.114 19.000 -0.168 0.000 0.818 125 A HN 0.571 nan 8.150 nan 0.000 0.445 126 D N -1.194 119.134 120.400 -0.120 0.000 2.117 126 D HA -0.170 4.471 4.640 0.001 0.000 0.198 126 D C 2.125 178.384 176.300 -0.069 0.000 0.982 126 D CA 1.372 55.318 54.000 -0.089 0.000 0.828 126 D CB -0.041 40.707 40.800 -0.087 0.000 0.967 126 D HN 0.306 nan 8.370 nan 0.000 0.464 127 R N 0.409 120.865 120.500 -0.073 0.000 2.096 127 R HA -0.074 4.267 4.340 0.001 0.000 0.240 127 R C 1.868 178.140 176.300 -0.048 0.000 1.139 127 R CA 1.973 58.040 56.100 -0.055 0.000 0.952 127 R CB -0.796 29.460 30.300 -0.073 0.000 0.854 127 R HN 0.181 nan 8.270 nan 0.000 0.436 128 A N -1.117 121.668 122.820 -0.059 0.000 2.067 128 A HA 0.249 4.569 4.320 0.001 0.000 0.217 128 A C 1.396 178.948 177.584 -0.053 0.000 1.156 128 A CA 0.787 52.792 52.037 -0.053 0.000 0.683 128 A CB -0.559 18.405 19.000 -0.060 0.000 0.808 128 A HN 0.648 nan 8.150 nan 0.000 0.455 129 G N -0.709 108.057 108.800 -0.057 0.000 2.256 129 G HA2 -0.015 3.946 3.960 0.001 0.000 0.272 129 G HA3 -0.015 3.946 3.960 0.001 0.000 0.272 129 G C 0.151 175.017 174.900 -0.057 0.000 1.076 129 G CA 0.704 45.773 45.100 -0.051 0.000 0.882 129 G HN 1.802 nan 8.290 nan 0.000 0.497 130 V N -3.856 116.016 119.914 -0.070 0.000 3.126 130 V HA 0.979 5.099 4.120 0.001 0.000 0.314 130 V C -2.288 173.756 176.094 -0.084 0.000 1.138 130 V CA -2.824 59.430 62.300 -0.077 0.000 1.034 130 V CB 1.913 33.681 31.823 -0.092 0.000 1.075 130 V HN 0.076 nan 8.190 nan 0.000 0.442 131 P HA 0.529 nan 4.420 nan 0.000 0.271 131 P C -0.729 176.510 177.300 -0.102 0.000 1.218 131 P CA 0.180 63.228 63.100 -0.085 0.000 0.780 131 P CB 0.738 32.391 31.700 -0.079 0.000 0.901 132 A N 2.334 125.104 122.820 -0.084 0.000 2.337 132 A HA 0.615 4.936 4.320 0.001 0.000 0.329 132 A C -0.900 176.674 177.584 -0.017 0.000 1.146 132 A CA -0.613 51.405 52.037 -0.031 0.000 0.800 132 A CB 0.998 19.977 19.000 -0.035 0.000 1.220 132 A HN 0.346 nan 8.150 nan 0.000 0.472 133 V N 2.755 122.635 119.914 -0.055 0.000 2.409 133 V HA 0.337 4.458 4.120 0.001 0.000 0.291 133 V C 0.090 175.961 176.094 -0.372 0.000 1.020 133 V CA -0.446 61.726 62.300 -0.215 0.000 0.848 133 V CB 1.403 33.064 31.823 -0.270 0.000 0.990 133 V HN 1.025 nan 8.190 nan 0.000 0.430 134 Q N 3.167 122.663 119.800 -0.508 0.000 2.259 134 Q HA 0.569 4.909 4.340 0.001 0.000 0.246 134 Q C -0.379 175.327 176.000 -0.491 0.000 0.920 134 Q CA -0.739 54.531 55.803 -0.888 0.000 0.895 134 Q CB 1.150 29.531 28.738 -0.595 0.000 1.220 134 Q HN 0.632 nan 8.270 nan 0.000 0.439 135 R N 2.827 123.064 120.500 -0.439 0.000 2.409 135 R HA 0.356 4.697 4.340 0.001 0.000 0.313 135 R C -1.566 174.655 176.300 -0.132 0.000 0.953 135 R CA -0.475 55.513 56.100 -0.186 0.000 0.849 135 R CB 0.576 30.824 30.300 -0.086 0.000 1.171 135 R HN 0.585 nan 8.270 nan 0.000 0.458 136 N N 2.331 120.989 118.700 -0.071 0.000 2.518 136 N HA 0.099 4.840 4.740 0.001 0.000 0.283 136 N C 0.226 175.757 175.510 0.035 0.000 1.119 136 N CA -0.269 52.761 53.050 -0.035 0.000 0.983 136 N CB 1.689 40.145 38.487 -0.053 0.000 1.139 136 N HN 0.751 nan 8.380 nan 0.000 0.465 137 Q N -0.485 119.338 119.800 0.038 0.000 2.352 137 Q HA 0.290 4.631 4.340 0.001 0.000 0.212 137 Q C 0.159 176.131 176.000 -0.046 0.000 0.888 137 Q CA 0.196 56.055 55.803 0.093 0.000 0.934 137 Q CB 0.598 29.427 28.738 0.151 0.000 1.093 137 Q HN 0.365 nan 8.270 nan 0.000 0.523 138 S N -1.396 114.162 115.700 -0.235 0.000 3.070 138 S HA 0.638 5.109 4.470 0.001 0.000 0.320 138 S C -0.631 173.346 174.600 -1.038 0.000 1.215 138 S CA -0.000 57.773 58.200 -0.712 0.000 0.956 138 S CB 0.728 63.788 63.200 -0.234 0.000 1.337 138 S HN 0.218 nan 8.310 nan 0.000 0.639 139 A N -0.273 121.873 122.820 -1.125 0.000 2.251 139 A HA 0.272 4.593 4.320 0.001 0.000 0.209 139 A C -0.087 177.272 177.584 -0.375 0.000 1.187 139 A CA -0.264 51.350 52.037 -0.706 0.000 0.823 139 A CB -0.570 18.135 19.000 -0.491 0.000 0.846 139 A HN 0.583 nan 8.150 nan 0.000 0.486 140 W N 1.933 123.126 121.300 -0.178 0.000 2.322 140 W HA 0.246 4.906 4.660 0.001 0.000 0.328 140 W C 0.444 176.928 176.519 -0.059 0.000 1.395 140 W CA -0.496 56.810 57.345 -0.065 0.000 1.267 140 W CB 0.520 29.959 29.460 -0.034 0.000 1.259 140 W HN 0.100 nan 8.180 nan 0.000 0.560 141 R N 2.238 122.875 120.500 0.229 0.000 2.410 141 R HA 0.166 4.507 4.340 0.001 0.000 0.288 141 R C 0.963 177.342 176.300 0.132 0.000 1.051 141 R CA -0.281 55.901 56.100 0.138 0.000 1.021 141 R CB 0.496 30.861 30.300 0.109 0.000 1.032 141 R HN 0.479 nan 8.270 nan 0.000 0.481 142 T N 2.606 117.203 114.554 0.073 0.000 2.777 142 T HA -0.084 4.267 4.350 0.001 0.000 0.266 142 T C 0.815 175.523 174.700 0.013 0.000 1.040 142 T CA 0.800 62.911 62.100 0.018 0.000 1.141 142 T CB -0.006 68.883 68.868 0.035 0.000 0.868 142 T HN 0.558 nan 8.240 nan 0.000 0.444 143 R N -0.345 120.185 120.500 0.050 0.000 3.657 143 R HA -0.219 4.122 4.340 0.001 0.000 0.533 143 R C 1.547 177.870 176.300 0.039 0.000 0.241 143 R CA 1.209 57.342 56.100 0.054 0.000 1.659 143 R CB -1.764 28.578 30.300 0.070 0.000 0.920 143 R HN 0.494 nan 8.270 nan 0.000 0.599 144 G N 0.750 109.573 108.800 0.039 0.000 3.448 144 G HA2 0.228 4.189 3.960 0.001 0.000 0.261 144 G HA3 0.228 4.189 3.960 0.001 0.000 0.261 144 G C 1.367 176.278 174.900 0.018 0.000 1.173 144 G CA 0.429 45.552 45.100 0.038 0.000 0.835 144 G HN 0.530 nan 8.290 nan 0.000 0.534 145 M N -1.221 118.351 119.600 -0.047 0.000 2.149 145 M HA -0.096 4.384 4.480 0.001 0.000 0.261 145 M C 2.057 178.306 176.300 -0.085 0.000 1.064 145 M CA 1.333 56.579 55.300 -0.090 0.000 1.102 145 M CB -0.760 31.723 32.600 -0.195 0.000 1.369 145 M HN 0.065 nan 8.290 nan 0.000 0.408 146 H N 0.620 119.725 119.070 0.058 0.000 2.357 146 H HA -0.023 4.534 4.556 0.001 0.000 0.301 146 H C 2.298 177.643 175.328 0.029 0.000 1.082 146 H CA 2.024 58.094 56.048 0.038 0.000 1.342 146 H CB -0.547 29.227 29.762 0.019 0.000 1.389 146 H HN 0.438 nan 8.280 nan 0.000 0.511 147 R N 0.774 121.353 120.500 0.131 0.000 2.096 147 R HA -0.120 4.220 4.340 0.001 0.000 0.240 147 R C 2.567 178.897 176.300 0.049 0.000 1.139 147 R CA 1.745 57.885 56.100 0.066 0.000 0.952 147 R CB -0.123 30.203 30.300 0.043 0.000 0.854 147 R HN 0.092 nan 8.270 nan 0.000 0.436 148 S N -0.022 115.720 115.700 0.070 0.000 2.368 148 S HA -0.094 4.377 4.470 0.001 0.000 0.225 148 S C 1.873 176.592 174.600 0.199 0.000 1.030 148 S CA 1.443 59.701 58.200 0.097 0.000 0.999 148 S CB -0.237 63.046 63.200 0.139 0.000 0.844 148 S HN 0.269 nan 8.310 nan 0.000 0.459 149 I N 1.800 122.491 120.570 0.202 0.000 2.163 149 I HA -0.229 3.942 4.170 0.001 0.000 0.243 149 I C 2.665 178.908 176.117 0.210 0.000 1.085 149 I CA 1.263 62.709 61.300 0.244 0.000 1.347 149 I CB -0.465 37.640 38.000 0.174 0.000 1.044 149 I HN 0.264 nan 8.210 nan 0.000 0.408 150 A N 0.501 123.392 122.820 0.119 0.000 2.019 150 A HA -0.207 4.114 4.320 0.001 0.000 0.219 150 A C 2.450 180.036 177.584 0.004 0.000 1.164 150 A CA 1.860 53.931 52.037 0.058 0.000 0.644 150 A CB -0.818 18.199 19.000 0.029 0.000 0.805 150 A HN 0.546 nan 8.150 nan 0.000 0.449 151 S N -1.064 114.596 115.700 -0.067 0.000 2.442 151 S HA -0.102 4.369 4.470 0.001 0.000 0.236 151 S C 1.218 175.592 174.600 -0.376 0.000 1.007 151 S CA 1.227 59.277 58.200 -0.251 0.000 0.965 151 S CB -0.673 62.300 63.200 -0.378 0.000 0.773 151 S HN 0.392 nan 8.310 nan 0.000 0.504 152 F N 0.789 120.732 119.950 -0.011 0.000 2.765 152 F HA 0.496 5.023 4.527 0.001 0.000 0.302 152 F C 1.112 176.903 175.800 -0.015 0.000 1.111 152 F CA -0.088 57.900 58.000 -0.020 0.000 1.359 152 F CB 0.122 39.101 39.000 -0.035 0.000 1.097 152 F HN 0.169 nan 8.300 nan 0.000 0.577 153 L N -0.531 120.756 121.223 0.107 0.000 3.122 153 L HA 0.109 4.450 4.340 0.001 0.000 0.274 153 L C 2.030 178.920 176.870 0.033 0.000 1.222 153 L CA 0.193 55.076 54.840 0.072 0.000 1.028 153 L CB -0.448 41.651 42.059 0.067 0.000 1.386 153 L HN 0.112 nan 8.230 nan 0.000 0.578 154 T N -2.268 112.290 114.554 0.006 0.000 2.665 154 T HA -0.272 4.078 4.350 0.001 0.000 0.268 154 T C 1.595 176.292 174.700 -0.005 0.000 1.035 154 T CA 1.796 63.889 62.100 -0.012 0.000 1.151 154 T CB -0.394 68.454 68.868 -0.034 0.000 0.862 154 T HN 0.522 nan 8.240 nan 0.000 0.438 155 D N 2.088 122.489 120.400 0.000 0.000 2.116 155 D HA -0.163 4.477 4.640 0.001 0.000 0.193 155 D C 2.213 178.507 176.300 -0.011 0.000 0.998 155 D CA 1.237 55.233 54.000 -0.008 0.000 0.836 155 D CB -0.735 40.063 40.800 -0.003 0.000 0.951 155 D HN 0.467 nan 8.370 nan 0.000 0.449 156 L N -0.646 120.590 121.223 0.021 0.000 2.156 156 L HA -0.002 4.338 4.340 0.001 0.000 0.208 156 L C 2.937 179.863 176.870 0.093 0.000 1.095 156 L CA 0.555 55.432 54.840 0.062 0.000 0.770 156 L CB -0.286 41.842 42.059 0.114 0.000 0.914 156 L HN -0.032 nan 8.230 nan 0.000 0.439 157 M N -0.531 119.102 119.600 0.055 0.000 2.132 157 M HA -0.192 4.289 4.480 0.001 0.000 0.263 157 M C 1.726 178.040 176.300 0.023 0.000 1.065 157 M CA 1.518 56.845 55.300 0.046 0.000 1.122 157 M CB -0.404 32.205 32.600 0.015 0.000 1.365 157 M HN 0.129 nan 8.290 nan 0.000 0.411 158 D N 0.648 121.044 120.400 -0.007 0.000 2.116 158 D HA -0.193 4.448 4.640 0.001 0.000 0.193 158 D C 1.816 178.082 176.300 -0.056 0.000 0.998 158 D CA 1.318 55.301 54.000 -0.027 0.000 0.836 158 D CB -0.300 40.480 40.800 -0.033 0.000 0.951 158 D HN 0.298 nan 8.370 nan 0.000 0.449 159 K N -0.273 120.061 120.400 -0.110 0.000 2.063 159 K HA -0.166 4.155 4.320 0.001 0.000 0.208 159 K C 1.441 177.874 176.600 -0.279 0.000 1.048 159 K CA 1.245 57.388 56.287 -0.241 0.000 0.928 159 K CB 0.034 32.303 32.500 -0.385 0.000 0.713 159 K HN 0.282 nan 8.250 nan 0.000 0.442 160 H N 0.220 119.279 119.070 -0.019 0.000 2.551 160 H HA 0.132 4.689 4.556 0.001 0.000 0.271 160 H C -0.049 175.265 175.328 -0.024 0.000 0.984 160 H CA 0.373 56.408 56.048 -0.021 0.000 1.164 160 H CB 0.561 30.309 29.762 -0.025 0.000 1.437 160 H HN 0.305 nan 8.280 nan 0.000 0.550 161 Q N 0.126 119.959 119.800 0.055 0.000 2.470 161 Q HA -0.123 4.218 4.340 0.001 0.000 0.294 161 Q C -0.426 175.587 176.000 0.021 0.000 1.356 161 Q CA 0.486 56.303 55.803 0.023 0.000 0.805 161 Q CB -2.002 26.744 28.738 0.013 0.000 1.157 161 Q HN 0.272 nan 8.270 nan 0.000 0.431 162 V N -3.624 116.305 119.914 0.024 0.000 2.769 162 V HA 0.889 5.010 4.120 0.001 0.000 0.312 162 V C 0.159 176.244 176.094 -0.014 0.000 1.061 162 V CA -0.729 61.571 62.300 -0.001 0.000 0.931 162 V CB 2.414 34.232 31.823 -0.008 0.000 1.010 162 V HN 0.153 nan 8.190 nan 0.000 0.433 163 S N 2.523 118.205 115.700 -0.030 0.000 2.704 163 S HA 0.757 5.228 4.470 0.001 0.000 0.305 163 S C -0.682 173.887 174.600 -0.052 0.000 1.107 163 S CA -0.583 57.596 58.200 -0.034 0.000 0.993 163 S CB 1.647 64.829 63.200 -0.030 0.000 1.110 163 S HN 0.981 nan 8.310 nan 0.000 0.534 164 L N 4.691 125.884 121.223 -0.049 0.000 2.261 164 L HA 0.493 4.834 4.340 0.001 0.000 0.289 164 L C -2.143 174.685 176.870 -0.070 0.000 1.059 164 L CA -1.211 53.588 54.840 -0.069 0.000 0.816 164 L CB 0.234 42.266 42.059 -0.045 0.000 1.191 164 L HN 0.384 nan 8.230 nan 0.000 0.431 165 P HA 0.360 nan 4.420 nan 0.000 0.284 165 P C -1.178 176.072 177.300 -0.082 0.000 1.292 165 P CA -0.597 62.454 63.100 -0.082 0.000 0.800 165 P CB 0.997 32.640 31.700 -0.095 0.000 1.188 166 E N 0.491 120.660 120.200 -0.051 0.000 2.214 166 E HA 0.361 4.712 4.350 0.001 0.000 0.274 166 E C -1.975 174.605 176.600 -0.034 0.000 0.977 166 E CA -1.826 54.558 56.400 -0.027 0.000 0.827 166 E CB 0.269 29.968 29.700 -0.002 0.000 1.130 166 E HN 0.402 nan 8.360 nan 0.000 0.394 167 P HA 0.005 nan 4.420 nan 0.000 0.272 167 P C 0.969 178.232 177.300 -0.061 0.000 1.223 167 P CA -0.138 62.960 63.100 -0.002 0.000 0.784 167 P CB 0.715 32.446 31.700 0.052 0.000 0.923 168 V N -1.583 118.269 119.914 -0.104 0.000 3.129 168 V HA 0.428 4.549 4.120 0.001 0.000 0.259 168 V C 0.674 176.635 176.094 -0.223 0.000 1.116 168 V CA 1.032 63.262 62.300 -0.117 0.000 1.127 168 V CB -1.014 30.751 31.823 -0.097 0.000 0.742 168 V HN 0.751 nan 8.190 nan 0.000 0.474 169 A N -0.938 121.664 122.820 -0.363 0.000 2.605 169 A HA 0.723 5.044 4.320 0.001 0.000 0.294 169 A C -0.522 176.755 177.584 -0.511 0.000 1.062 169 A CA -0.198 51.444 52.037 -0.659 0.000 0.682 169 A CB 1.452 19.550 19.000 -1.502 0.000 1.278 169 A HN 0.152 nan 8.150 nan 0.000 0.410 170 T N 2.774 117.056 114.554 -0.454 0.000 2.847 170 T HA 0.483 4.834 4.350 0.001 0.000 0.291 170 T C -0.486 174.056 174.700 -0.263 0.000 0.998 170 T CA -0.282 61.637 62.100 -0.301 0.000 0.967 170 T CB 0.523 69.284 68.868 -0.178 0.000 0.954 170 T HN 0.456 nan 8.240 nan 0.000 0.441 171 I N 3.539 123.987 120.570 -0.203 0.000 2.301 171 I HA 0.263 4.434 4.170 0.001 0.000 0.292 171 I C 0.779 176.865 176.117 -0.052 0.000 1.046 171 I CA -0.743 60.515 61.300 -0.070 0.000 1.282 171 I CB 0.406 38.415 38.000 0.016 0.000 1.409 171 I HN 0.524 nan 8.210 nan 0.000 0.484 172 E N 3.994 124.135 120.200 -0.099 0.000 2.383 172 E HA 0.165 4.516 4.350 0.001 0.000 0.264 172 E C 0.591 177.294 176.600 0.171 0.000 1.050 172 E CA -0.026 56.353 56.400 -0.035 0.000 0.896 172 E CB 1.298 30.891 29.700 -0.177 0.000 0.982 172 E HN 0.455 nan 8.360 nan 0.000 0.424 173 S N 1.239 117.075 115.700 0.227 0.000 2.439 173 S HA 0.073 4.544 4.470 0.001 0.000 0.224 173 S C 0.298 175.185 174.600 0.478 0.000 1.029 173 S CA 0.197 58.632 58.200 0.391 0.000 0.946 173 S CB 0.097 63.475 63.200 0.297 0.000 0.797 173 S HN 0.294 nan 8.310 nan 0.000 0.504 174 F N 2.460 122.477 119.950 0.112 0.000 2.384 174 F HA 0.463 4.990 4.527 0.001 0.000 0.338 174 F C -2.308 173.644 175.800 0.253 0.000 1.103 174 F CA -3.437 54.623 58.000 0.101 0.000 1.157 174 F CB -0.058 38.974 39.000 0.053 0.000 1.167 174 F HN -0.054 nan 8.300 nan 0.000 0.529 175 P HA 0.175 nan 4.420 nan 0.000 0.274 175 P C -2.156 175.165 177.300 0.035 0.000 1.246 175 P CA -1.169 62.020 63.100 0.148 0.000 0.795 175 P CB 0.257 31.964 31.700 0.011 0.000 1.006 176 P HA -0.231 nan 4.420 nan 0.000 0.216 176 P C 1.498 178.738 177.300 -0.098 0.000 1.154 176 P CA 2.151 65.007 63.100 -0.406 0.000 0.865 176 P CB -0.418 30.905 31.700 -0.628 0.000 0.789 177 S N -1.901 113.743 115.700 -0.093 0.000 2.515 177 S HA -0.055 4.416 4.470 0.001 0.000 0.231 177 S C 1.644 176.238 174.600 -0.010 0.000 0.987 177 S CA 0.676 58.847 58.200 -0.048 0.000 0.936 177 S CB -1.111 62.053 63.200 -0.058 0.000 0.766 177 S HN -0.052 nan 8.310 nan 0.000 0.528 178 L N 0.604 121.840 121.223 0.022 0.000 2.492 178 L HA 0.474 4.815 4.340 0.001 0.000 0.223 178 L C 0.207 177.165 176.870 0.146 0.000 1.132 178 L CA 0.756 55.636 54.840 0.066 0.000 0.850 178 L CB -0.433 41.652 42.059 0.043 0.000 0.966 178 L HN 0.388 nan 8.230 nan 0.000 0.454 179 L N -1.583 119.724 121.223 0.141 0.000 2.346 179 L HA 0.269 4.610 4.340 0.001 0.000 0.276 179 L C 0.752 177.676 176.870 0.090 0.000 1.006 179 L CA -0.337 54.587 54.840 0.141 0.000 0.817 179 L CB 2.221 44.412 42.059 0.219 0.000 1.272 179 L HN -0.108 nan 8.230 nan 0.000 0.421 180 L N 0.935 122.197 121.223 0.064 0.000 2.298 180 L HA 0.221 4.562 4.340 0.001 0.000 0.209 180 L C 0.741 177.650 176.870 0.066 0.000 1.084 180 L CA 0.692 55.563 54.840 0.051 0.000 0.816 180 L CB 0.477 42.555 42.059 0.032 0.000 0.967 180 L HN 0.666 nan 8.230 nan 0.000 0.460 181 E N 0.032 120.277 120.200 0.075 0.000 2.212 181 E HA 0.528 4.879 4.350 0.001 0.000 0.268 181 E C -0.999 175.664 176.600 0.105 0.000 0.902 181 E CA -0.591 55.857 56.400 0.080 0.000 0.779 181 E CB 2.161 31.902 29.700 0.067 0.000 1.172 181 E HN 0.096 nan 8.360 nan 0.000 0.409 182 A N 3.799 126.685 122.820 0.110 0.000 2.302 182 A HA 0.342 4.662 4.320 0.001 0.000 0.285 182 A C -0.165 177.469 177.584 0.085 0.000 1.105 182 A CA -0.575 51.539 52.037 0.128 0.000 0.816 182 A CB 0.775 19.860 19.000 0.143 0.000 1.067 182 A HN 0.674 nan 8.150 nan 0.000 0.489 183 E N 0.985 121.220 120.200 0.058 0.000 2.319 183 E HA 0.351 4.702 4.350 0.001 0.000 0.268 183 E C -2.324 174.300 176.600 0.041 0.000 1.050 183 E CA -1.551 54.867 56.400 0.030 0.000 0.878 183 E CB 0.430 30.118 29.700 -0.020 0.000 1.066 183 E HN 0.368 nan 8.360 nan 0.000 0.406 184 P HA 0.033 nan 4.420 nan 0.000 0.271 184 P C -0.544 176.775 177.300 0.031 0.000 1.216 184 P CA 0.126 63.254 63.100 0.046 0.000 0.776 184 P CB 0.422 32.147 31.700 0.042 0.000 0.881 185 E N -0.535 119.704 120.200 0.065 0.000 2.360 185 E HA -0.172 4.179 4.350 0.001 0.000 0.238 185 E C 0.563 177.197 176.600 0.058 0.000 1.186 185 E CA 1.195 57.646 56.400 0.085 0.000 0.719 185 E CB -2.053 27.655 29.700 0.013 0.000 1.236 185 E HN 0.731 nan 8.360 nan 0.000 0.386 186 G N -0.028 108.822 108.800 0.083 0.000 2.361 186 G HA2 0.227 4.187 3.960 0.001 0.000 0.260 186 G HA3 0.227 4.187 3.960 0.001 0.000 0.260 186 G C -0.425 174.555 174.900 0.133 0.000 1.261 186 G CA -0.349 44.732 45.100 -0.031 0.000 0.897 186 G HN 0.072 nan 8.290 nan 0.000 0.499 187 W N 1.341 122.450 121.300 -0.319 0.000 2.627 187 W HA 0.674 5.335 4.660 0.001 0.000 0.339 187 W C -0.778 175.484 176.519 -0.428 0.000 1.058 187 W CA -1.547 55.663 57.345 -0.225 0.000 1.223 187 W CB 1.215 30.630 29.460 -0.074 0.000 1.389 187 W HN 0.301 nan 8.180 nan 0.000 0.541 188 F N 2.782 122.883 119.950 0.252 0.000 2.480 188 F HA 0.648 5.176 4.527 0.001 0.000 0.329 188 F C 0.295 176.195 175.800 0.167 0.000 1.091 188 F CA -0.978 57.133 58.000 0.185 0.000 0.972 188 F CB 1.739 40.815 39.000 0.127 0.000 1.150 188 F HN -0.012 nan 8.300 nan 0.000 0.467 189 M N 2.828 122.634 119.600 0.344 0.000 2.421 189 M HA 0.406 4.887 4.480 0.001 0.000 0.287 189 M C -0.823 175.631 176.300 0.256 0.000 1.183 189 M CA -0.735 54.715 55.300 0.250 0.000 0.916 189 M CB 2.196 34.927 32.600 0.219 0.000 1.701 189 M HN 0.658 nan 8.290 nan 0.000 0.470 190 R N 2.875 123.488 120.500 0.188 0.000 2.585 190 R HA -0.008 4.333 4.340 0.001 0.000 0.275 190 R C -1.098 175.336 176.300 0.223 0.000 1.018 190 R CA 0.220 56.430 56.100 0.183 0.000 1.072 190 R CB 0.567 30.930 30.300 0.106 0.000 0.953 190 R HN 0.754 nan 8.270 nan 0.000 0.419 191 W N 6.785 128.135 121.300 0.084 0.000 2.358 191 W HA 0.275 4.936 4.660 0.001 0.000 0.307 191 W C -1.577 174.971 176.519 0.048 0.000 1.203 191 W CA -0.535 56.858 57.345 0.079 0.000 1.279 191 W CB 0.766 30.279 29.460 0.088 0.000 1.264 191 W HN 0.214 nan 8.180 nan 0.000 0.474 192 V N 9.434 129.034 119.914 -0.525 0.000 2.313 192 V HA 0.178 4.299 4.120 0.001 0.000 0.278 192 V C -1.850 173.838 176.094 -0.675 0.000 1.017 192 V CA -1.966 60.085 62.300 -0.414 0.000 0.823 192 V CB 1.247 32.936 31.823 -0.224 0.000 1.010 192 V HN 0.424 nan 8.190 nan 0.000 0.443 193 P HA 0.090 nan 4.420 nan 0.000 0.265 193 P C -1.241 175.916 177.300 -0.238 0.000 1.193 193 P CA 0.278 63.202 63.100 -0.293 0.000 0.765 193 P CB 0.124 31.825 31.700 0.002 0.000 0.823 194 Y N 1.710 121.883 120.300 -0.212 0.000 2.331 194 Y HA 0.560 5.111 4.550 0.001 0.000 0.326 194 Y C 0.374 176.224 175.900 -0.084 0.000 1.020 194 Y CA -0.436 57.535 58.100 -0.216 0.000 1.136 194 Y CB 1.425 39.589 38.460 -0.494 0.000 1.157 194 Y HN 0.483 nan 8.280 nan 0.000 0.444 195 G N 2.665 111.091 108.800 -0.624 0.000 3.969 195 G HA2 0.495 4.456 3.960 0.001 0.000 0.291 195 G HA3 0.495 4.456 3.960 0.001 0.000 0.291 195 G C 0.134 174.784 174.900 -0.417 0.000 1.016 195 G CA -0.009 44.934 45.100 -0.261 0.000 0.819 195 G HN 1.438 nan 8.290 nan 0.000 0.493 196 G N -1.178 106.732 108.800 -1.484 0.000 2.650 196 G HA2 0.446 4.407 3.960 0.001 0.000 0.686 196 G HA3 0.446 4.407 3.960 0.001 0.000 0.686 196 G C 0.341 175.151 174.900 -0.151 0.000 1.205 196 G CA -0.310 44.423 45.100 -0.611 0.000 0.781 196 G HN 1.046 nan 8.290 nan 0.000 0.648 197 G N -0.601 108.269 108.800 0.118 0.000 2.634 197 G HA2 0.901 4.862 3.960 0.001 0.000 0.255 197 G HA3 0.901 4.862 3.960 0.001 0.000 0.255 197 G C 0.330 175.369 174.900 0.232 0.000 1.205 197 G CA 0.655 45.870 45.100 0.191 0.000 0.884 197 G HN 2.342 nan 8.290 nan 0.000 0.549 198 A N -0.633 122.289 122.820 0.169 0.000 2.565 198 A HA 0.502 4.823 4.320 0.001 0.000 0.298 198 A C -0.922 176.718 177.584 0.092 0.000 1.062 198 A CA -0.504 51.643 52.037 0.184 0.000 0.723 198 A CB 1.364 20.414 19.000 0.083 0.000 1.282 198 A HN 1.133 nan 8.150 nan 0.000 0.400 199 V N 4.374 124.346 119.914 0.096 0.000 2.387 199 V HA 0.108 4.229 4.120 0.001 0.000 0.260 199 V C 1.311 177.428 176.094 0.037 0.000 1.054 199 V CA 0.157 62.491 62.300 0.056 0.000 0.967 199 V CB 0.221 32.078 31.823 0.056 0.000 1.036 199 V HN 0.835 nan 8.190 nan 0.000 0.481 200 L N 4.180 125.404 121.223 0.001 0.000 2.217 200 L HA 0.287 4.628 4.340 0.001 0.000 0.211 200 L C 1.344 178.206 176.870 -0.013 0.000 1.107 200 L CA 1.223 56.045 54.840 -0.030 0.000 0.783 200 L CB -0.368 41.658 42.059 -0.054 0.000 0.919 200 L HN 0.901 nan 8.230 nan 0.000 0.442 201 G N 0.089 108.889 108.800 0.001 0.000 2.291 201 G HA2 -0.152 3.809 3.960 0.001 0.000 0.249 201 G HA3 -0.152 3.809 3.960 0.001 0.000 0.249 201 G C -1.033 173.869 174.900 0.003 0.000 1.340 201 G CA 0.076 45.179 45.100 0.005 0.000 1.017 201 G HN 0.115 nan 8.290 nan 0.000 0.470 202 D N 0.055 120.456 120.400 0.002 0.000 2.342 202 D HA 0.231 4.872 4.640 0.001 0.000 0.221 202 D C 0.863 177.161 176.300 -0.002 0.000 1.101 202 D CA 0.481 54.482 54.000 0.001 0.000 0.837 202 D CB -0.018 40.784 40.800 0.003 0.000 0.938 202 D HN 0.937 nan 8.370 nan 0.000 0.508 203 R N -1.312 119.184 120.500 -0.006 0.000 2.709 203 R HA 0.342 4.682 4.340 0.001 0.000 0.270 203 R C -1.130 175.161 176.300 -0.016 0.000 1.038 203 R CA -0.959 55.135 56.100 -0.009 0.000 0.872 203 R CB 0.354 30.649 30.300 -0.008 0.000 1.259 203 R HN -0.087 nan 8.270 nan 0.000 0.473 204 L N 1.558 122.770 121.223 -0.018 0.000 2.506 204 L HA 0.194 4.535 4.340 0.001 0.000 0.281 204 L C -1.770 175.082 176.870 -0.030 0.000 1.228 204 L CA -1.548 53.276 54.840 -0.026 0.000 0.850 204 L CB 0.387 42.433 42.059 -0.022 0.000 1.110 204 L HN 0.486 nan 8.230 nan 0.000 0.496 205 P HA 0.068 nan 4.420 nan 0.000 0.266 205 P C -2.284 174.996 177.300 -0.032 0.000 1.215 205 P CA -0.756 62.319 63.100 -0.042 0.000 0.763 205 P CB -0.133 31.528 31.700 -0.065 0.000 0.806 206 P HA 0.000 nan 4.420 nan 0.000 0.268 206 P C -0.333 176.956 177.300 -0.019 0.000 1.204 206 P CA 0.043 63.132 63.100 -0.018 0.000 0.768 206 P CB 0.462 32.154 31.700 -0.013 0.000 0.842 207 V N 6.221 126.124 119.914 -0.017 0.000 2.493 207 V HA 0.020 4.141 4.120 0.001 0.000 0.292 207 V C -1.062 175.023 176.094 -0.016 0.000 1.016 207 V CA -0.596 61.694 62.300 -0.017 0.000 1.097 207 V CB -0.448 31.366 31.823 -0.015 0.000 0.947 207 V HN 0.678 nan 8.190 nan 0.000 0.479 208 P HA 0.218 nan 4.420 nan 0.000 0.272 208 P C 0.652 177.942 177.300 -0.017 0.000 1.230 208 P CA -0.128 62.962 63.100 -0.016 0.000 0.788 208 P CB 1.052 32.740 31.700 -0.020 0.000 0.949 209 A N 2.579 125.391 122.820 -0.014 0.000 1.849 209 A HA -0.187 4.134 4.320 0.001 0.000 0.217 209 A C 1.377 178.949 177.584 -0.020 0.000 1.202 209 A CA 1.600 53.629 52.037 -0.014 0.000 0.629 209 A CB -0.686 18.307 19.000 -0.011 0.000 0.834 209 A HN 0.713 nan 8.150 nan 0.000 0.447 210 R N 0.264 120.748 120.500 -0.026 0.000 2.460 210 R HA 0.463 4.804 4.340 0.001 0.000 0.303 210 R C -3.057 173.214 176.300 -0.047 0.000 0.968 210 R CA -2.010 54.069 56.100 -0.036 0.000 0.889 210 R CB 0.979 31.255 30.300 -0.039 0.000 1.123 210 R HN 0.080 nan 8.270 nan 0.000 0.455 211 P HA -0.007 nan 4.420 nan 0.000 0.266 211 P C -1.087 176.157 177.300 -0.093 0.000 1.195 211 P CA 0.184 63.248 63.100 -0.059 0.000 0.768 211 P CB 0.646 32.315 31.700 -0.052 0.000 0.838 212 E N 0.351 120.494 120.200 -0.095 0.000 2.227 212 E HA 0.400 4.751 4.350 0.001 0.000 0.268 212 E C -0.749 175.747 176.600 -0.173 0.000 0.990 212 E CA -1.090 55.225 56.400 -0.142 0.000 0.856 212 E CB 1.250 30.903 29.700 -0.078 0.000 1.159 212 E HN 0.085 nan 8.360 nan 0.000 0.401 213 V N 1.906 121.631 119.914 -0.314 0.000 2.407 213 V HA 0.350 4.471 4.120 0.001 0.000 0.278 213 V C 0.037 176.118 176.094 -0.022 0.000 1.037 213 V CA -0.571 61.588 62.300 -0.235 0.000 0.900 213 V CB 1.019 32.544 31.823 -0.497 0.000 0.983 213 V HN 0.740 nan 8.190 nan 0.000 0.459 214 A N 6.596 129.444 122.820 0.046 0.000 2.363 214 A HA 0.734 5.055 4.320 0.001 0.000 0.270 214 A C -0.352 177.333 177.584 0.168 0.000 1.121 214 A CA -0.250 51.848 52.037 0.101 0.000 0.800 214 A CB 0.068 19.114 19.000 0.076 0.000 1.052 214 A HN 0.790 nan 8.150 nan 0.000 0.493 215 I N 2.103 122.783 120.570 0.185 0.000 2.382 215 I HA 0.410 4.581 4.170 0.001 0.000 0.285 215 I C 0.197 176.419 176.117 0.175 0.000 1.007 215 I CA -0.013 61.398 61.300 0.186 0.000 1.142 215 I CB 1.901 40.002 38.000 0.169 0.000 1.289 215 I HN 0.643 nan 8.210 nan 0.000 0.453 216 T N 7.002 121.685 114.554 0.215 0.000 2.896 216 T HA 0.753 5.104 4.350 0.001 0.000 0.297 216 T C -1.219 173.640 174.700 0.266 0.000 1.108 216 T CA -0.578 61.645 62.100 0.206 0.000 1.004 216 T CB 1.830 70.803 68.868 0.175 0.000 1.159 216 T HN 0.594 nan 8.240 nan 0.000 0.499 217 M N 2.519 122.217 119.600 0.164 0.000 2.365 217 M HA 0.616 5.097 4.480 0.001 0.000 0.287 217 M C -0.079 176.272 176.300 0.085 0.000 1.154 217 M CA -0.511 54.836 55.300 0.079 0.000 0.941 217 M CB 1.678 34.143 32.600 -0.225 0.000 1.704 217 M HN 0.795 nan 8.290 nan 0.000 0.479 218 G N 1.362 110.225 108.800 0.104 0.000 2.544 218 G HA2 0.307 4.268 3.960 0.001 0.000 0.242 218 G HA3 0.307 4.268 3.960 0.001 0.000 0.242 218 G C 0.894 175.817 174.900 0.039 0.000 1.247 218 G CA 0.167 45.322 45.100 0.091 0.000 0.840 218 G HN 0.929 nan 8.290 nan 0.000 0.578 219 T N 0.480 115.039 114.554 0.007 0.000 2.720 219 T HA -0.218 4.133 4.350 0.001 0.000 0.268 219 T C 2.197 176.871 174.700 -0.043 0.000 1.037 219 T CA 1.611 63.690 62.100 -0.035 0.000 1.144 219 T CB -0.240 68.573 68.868 -0.090 0.000 0.864 219 T HN 0.233 nan 8.240 nan 0.000 0.444 220 I N 1.676 122.218 120.570 -0.045 0.000 2.439 220 I HA 0.018 4.189 4.170 0.001 0.000 0.251 220 I C 2.600 178.679 176.117 -0.062 0.000 1.139 220 I CA 1.011 62.275 61.300 -0.060 0.000 1.438 220 I CB -0.508 37.453 38.000 -0.066 0.000 1.085 220 I HN 0.127 nan 8.210 nan 0.000 0.427 221 E N 0.720 120.929 120.200 0.014 0.000 2.058 221 E HA -0.181 4.170 4.350 0.001 0.000 0.194 221 E C 2.234 178.888 176.600 0.090 0.000 0.997 221 E CA 1.235 57.710 56.400 0.125 0.000 0.801 221 E CB -0.441 29.399 29.700 0.233 0.000 0.746 221 E HN 0.374 nan 8.360 nan 0.000 0.450 222 L N 0.474 121.712 121.223 0.025 0.000 2.046 222 L HA -0.263 4.078 4.340 0.001 0.000 0.208 222 L C 2.486 179.345 176.870 -0.018 0.000 1.077 222 L CA 1.416 56.261 54.840 0.007 0.000 0.747 222 L CB -0.314 41.740 42.059 -0.009 0.000 0.896 222 L HN 0.188 nan 8.230 nan 0.000 0.432 223 Q N -0.658 119.109 119.800 -0.055 0.000 2.050 223 Q HA -0.205 4.136 4.340 0.001 0.000 0.202 223 Q C 2.438 178.359 176.000 -0.133 0.000 0.980 223 Q CA 1.654 57.412 55.803 -0.075 0.000 0.840 223 Q CB -0.291 28.404 28.738 -0.073 0.000 0.898 223 Q HN 0.579 nan 8.270 nan 0.000 0.424 224 A N 0.322 122.983 122.820 -0.265 0.000 1.845 224 A HA -0.155 4.166 4.320 0.001 0.000 0.215 224 A C 1.664 178.972 177.584 -0.461 0.000 1.195 224 A CA 1.457 53.186 52.037 -0.513 0.000 0.616 224 A CB -0.693 17.705 19.000 -1.003 0.000 0.832 224 A HN 0.388 nan 8.150 nan 0.000 0.443 225 F N -1.011 118.951 119.950 0.021 0.000 2.717 225 F HA 0.424 4.952 4.527 0.002 0.000 0.295 225 F C 1.453 177.260 175.800 0.011 0.000 1.117 225 F CA 0.475 58.489 58.000 0.025 0.000 1.361 225 F CB 0.010 39.032 39.000 0.037 0.000 1.112 225 F HN 0.527 nan 8.300 nan 0.000 0.594 226 G N 1.160 110.036 108.800 0.127 0.000 2.730 226 G HA2 -0.264 3.697 3.960 0.001 0.000 0.686 226 G HA3 -0.264 3.697 3.960 0.001 0.000 0.686 226 G C 0.297 175.239 174.900 0.070 0.000 1.343 226 G CA -0.272 44.873 45.100 0.075 0.000 0.826 226 G HN 0.272 nan 8.290 nan 0.000 0.582 227 I N 1.294 121.889 120.570 0.041 0.000 2.614 227 I HA 0.018 4.189 4.170 0.001 0.000 0.258 227 I C 2.554 178.695 176.117 0.040 0.000 1.189 227 I CA 2.099 63.417 61.300 0.030 0.000 1.462 227 I CB -0.368 37.646 38.000 0.023 0.000 1.092 227 I HN 0.821 nan 8.210 nan 0.000 0.442 228 G N 0.416 109.245 108.800 0.049 0.000 2.450 228 G HA2 -0.331 3.630 3.960 0.001 0.000 0.220 228 G HA3 -0.331 3.630 3.960 0.001 0.000 0.220 228 G C 1.753 176.690 174.900 0.061 0.000 1.130 228 G CA 0.727 45.856 45.100 0.049 0.000 0.760 228 G HN 0.545 nan 8.290 nan 0.000 0.557 229 A N -0.192 122.678 122.820 0.083 0.000 1.986 229 A HA 0.024 4.345 4.320 0.001 0.000 0.220 229 A C 2.487 180.170 177.584 0.164 0.000 1.171 229 A CA 1.939 54.042 52.037 0.110 0.000 0.640 229 A CB -0.517 18.554 19.000 0.118 0.000 0.811 229 A HN 0.547 nan 8.150 nan 0.000 0.451 230 V N -0.734 119.254 119.914 0.124 0.000 3.506 230 V HA -0.019 4.102 4.120 0.001 0.000 0.263 230 V C 2.167 178.306 176.094 0.075 0.000 1.203 230 V CA 1.287 63.680 62.300 0.155 0.000 1.133 230 V CB -0.132 31.763 31.823 0.120 0.000 0.802 230 V HN 0.587 nan 8.190 nan 0.000 0.459 231 E N 1.399 121.628 120.200 0.047 0.000 2.070 231 E HA -0.181 4.169 4.350 0.001 0.000 0.197 231 E C -0.251 176.349 176.600 -0.001 0.000 1.004 231 E CA 2.305 58.716 56.400 0.019 0.000 0.805 231 E CB -1.127 28.583 29.700 0.017 0.000 0.744 231 E HN 0.532 nan 8.360 nan 0.000 0.451 232 P HA -0.038 nan 4.420 nan 0.000 0.221 232 P C 1.526 178.802 177.300 -0.039 0.000 1.150 232 P CA 0.880 63.969 63.100 -0.019 0.000 0.800 232 P CB -0.100 31.592 31.700 -0.014 0.000 0.787 233 I N -1.069 119.483 120.570 -0.030 0.000 2.202 233 I HA -0.212 3.959 4.170 0.001 0.000 0.242 233 I C 2.249 178.294 176.117 -0.121 0.000 1.091 233 I CA 1.396 62.660 61.300 -0.059 0.000 1.368 233 I CB -0.550 37.439 38.000 -0.019 0.000 1.058 233 I HN -0.134 nan 8.210 nan 0.000 0.410 234 I N 0.836 121.350 120.570 -0.092 0.000 2.226 234 I HA -0.282 3.889 4.170 0.001 0.000 0.245 234 I C 2.825 178.849 176.117 -0.156 0.000 1.100 234 I CA 1.333 62.552 61.300 -0.136 0.000 1.374 234 I CB -0.490 37.473 38.000 -0.062 0.000 1.057 234 I HN 0.183 nan 8.210 nan 0.000 0.413 235 A N 0.793 123.553 122.820 -0.099 0.000 1.908 235 A HA -0.197 4.124 4.320 0.001 0.000 0.218 235 A C 2.545 180.063 177.584 -0.110 0.000 1.181 235 A CA 2.006 53.991 52.037 -0.086 0.000 0.627 235 A CB -0.880 18.089 19.000 -0.051 0.000 0.818 235 A HN 0.438 nan 8.150 nan 0.000 0.445 236 A N -0.186 122.562 122.820 -0.120 0.000 1.902 236 A HA 0.172 4.492 4.320 0.001 0.000 0.217 236 A C 2.523 179.988 177.584 -0.199 0.000 1.181 236 A CA 2.089 54.053 52.037 -0.121 0.000 0.623 236 A CB -1.090 17.853 19.000 -0.095 0.000 0.818 236 A HN 1.126 nan 8.150 nan 0.000 0.443 237 A N -0.370 122.218 122.820 -0.386 0.000 1.948 237 A HA 0.038 4.359 4.320 0.001 0.000 0.220 237 A C 2.373 179.661 177.584 -0.493 0.000 1.177 237 A CA 1.969 53.490 52.037 -0.861 0.000 0.636 237 A CB -1.453 16.625 19.000 -1.537 0.000 0.815 237 A HN 0.863 nan 8.150 nan 0.000 0.449 238 G N -0.611 108.022 108.800 -0.279 0.000 2.501 238 G HA2 -0.127 3.834 3.960 0.001 0.000 0.220 238 G HA3 -0.127 3.834 3.960 0.001 0.000 0.220 238 G C 1.067 175.935 174.900 -0.054 0.000 1.114 238 G CA 0.948 45.976 45.100 -0.120 0.000 0.757 238 G HN 0.727 nan 8.290 nan 0.000 0.559 239 E N -0.729 119.435 120.200 -0.060 0.000 2.501 239 E HA 0.268 4.619 4.350 0.001 0.000 0.200 239 E C -0.510 176.102 176.600 0.020 0.000 1.016 239 E CA -0.316 56.074 56.400 -0.016 0.000 0.921 239 E CB 1.312 30.998 29.700 -0.024 0.000 1.034 239 E HN 0.168 nan 8.360 nan 0.000 0.468 240 V N 1.645 121.595 119.914 0.059 0.000 2.495 240 V HA 0.092 4.213 4.120 0.001 0.000 0.298 240 V C -0.242 175.954 176.094 0.171 0.000 1.031 240 V CA -0.919 61.463 62.300 0.137 0.000 0.871 240 V CB 1.829 33.806 31.823 0.256 0.000 0.988 240 V HN 0.019 nan 8.190 nan 0.000 0.432 241 D N 3.832 124.297 120.400 0.109 0.000 2.600 241 D HA 0.515 5.155 4.640 0.001 0.000 0.226 241 D C 0.026 176.365 176.300 0.066 0.000 1.119 241 D CA 0.580 54.629 54.000 0.081 0.000 1.051 241 D CB 0.017 40.844 40.800 0.045 0.000 1.106 241 D HN 0.816 nan 8.370 nan 0.000 0.491 242 A N 2.007 124.886 122.820 0.099 0.000 2.581 242 A HA 0.521 4.842 4.320 0.001 0.000 0.290 242 A C -1.371 176.183 177.584 -0.050 0.000 1.119 242 A CA -0.914 51.096 52.037 -0.046 0.000 0.670 242 A CB 1.204 20.084 19.000 -0.201 0.000 1.280 242 A HN 0.175 nan 8.150 nan 0.000 0.425 243 D N 0.150 120.420 120.400 -0.216 0.000 2.192 243 D HA 0.699 5.340 4.640 0.001 0.000 0.246 243 D C -1.311 174.805 176.300 -0.307 0.000 1.042 243 D CA 0.545 54.479 54.000 -0.110 0.000 0.847 243 D CB 1.051 41.809 40.800 -0.070 0.000 1.186 243 D HN 0.278 nan 8.370 nan 0.000 0.461 244 F N 0.417 120.372 119.950 0.009 0.000 2.546 244 F HA 0.459 4.987 4.527 0.001 0.000 0.320 244 F C 0.012 175.821 175.800 0.014 0.000 1.076 244 F CA -1.163 56.845 58.000 0.013 0.000 0.928 244 F CB 2.047 41.056 39.000 0.015 0.000 1.189 244 F HN -0.047 nan 8.300 nan 0.000 0.465 245 V N 4.880 124.903 119.914 0.182 0.000 2.444 245 V HA 0.588 4.709 4.120 0.001 0.000 0.294 245 V C -1.565 174.605 176.094 0.127 0.000 1.022 245 V CA -0.723 61.646 62.300 0.114 0.000 0.850 245 V CB 1.602 33.455 31.823 0.051 0.000 0.992 245 V HN 0.621 nan 8.190 nan 0.000 0.426 246 L N 7.116 128.402 121.223 0.105 0.000 2.272 246 L HA 0.887 5.228 4.340 0.001 0.000 0.289 246 L C 0.150 177.069 176.870 0.082 0.000 1.032 246 L CA 0.218 55.117 54.840 0.099 0.000 0.810 246 L CB 1.365 43.473 42.059 0.082 0.000 1.205 246 L HN 0.779 nan 8.230 nan 0.000 0.422 247 A N 6.586 129.461 122.820 0.092 0.000 2.709 247 A HA 0.497 4.818 4.320 0.001 0.000 0.332 247 A C -0.249 177.406 177.584 0.117 0.000 1.241 247 A CA -0.371 51.721 52.037 0.092 0.000 0.782 247 A CB -0.068 18.974 19.000 0.070 0.000 1.109 247 A HN 0.763 nan 8.150 nan 0.000 0.472 248 L N 2.218 123.506 121.223 0.108 0.000 2.912 248 L HA 0.394 4.734 4.340 0.001 0.000 0.240 248 L C 1.362 178.301 176.870 0.114 0.000 1.262 248 L CA 0.372 55.270 54.840 0.097 0.000 1.058 248 L CB -0.585 41.512 42.059 0.063 0.000 1.383 248 L HN 0.998 nan 8.230 nan 0.000 0.512 249 G N 0.834 109.751 108.800 0.195 0.000 2.528 249 G HA2 -0.287 3.674 3.960 0.001 0.000 0.262 249 G HA3 -0.287 3.674 3.960 0.001 0.000 0.262 249 G C 0.078 175.080 174.900 0.170 0.000 1.200 249 G CA 0.094 45.334 45.100 0.235 0.000 0.951 249 G HN 0.341 nan 8.290 nan 0.000 0.566 250 D N 0.551 121.002 120.400 0.084 0.000 2.427 250 D HA 0.280 4.921 4.640 0.001 0.000 0.224 250 D C 0.920 177.240 176.300 0.033 0.000 1.157 250 D CA -0.210 53.829 54.000 0.066 0.000 0.828 250 D CB 0.223 41.053 40.800 0.050 0.000 0.974 250 D HN 0.352 nan 8.370 nan 0.000 0.498 251 L N 1.554 122.796 121.223 0.031 0.000 2.485 251 L HA 0.041 4.382 4.340 0.001 0.000 0.275 251 L C 0.346 177.232 176.870 0.025 0.000 1.207 251 L CA 0.015 54.867 54.840 0.019 0.000 0.855 251 L CB 0.643 42.714 42.059 0.019 0.000 1.114 251 L HN -0.176 nan 8.230 nan 0.000 0.485 252 D N 4.159 124.570 120.400 0.018 0.000 2.382 252 D HA -0.001 4.640 4.640 0.001 0.000 0.259 252 D C 0.971 177.283 176.300 0.020 0.000 1.224 252 D CA 0.158 54.169 54.000 0.019 0.000 0.894 252 D CB 0.477 41.285 40.800 0.014 0.000 1.127 252 D HN 0.496 nan 8.370 nan 0.000 0.487 253 I N 0.727 121.311 120.570 0.024 0.000 3.793 253 I HA 0.042 4.213 4.170 0.001 0.000 0.315 253 I C 1.538 177.667 176.117 0.020 0.000 1.275 253 I CA -0.293 61.022 61.300 0.025 0.000 1.214 253 I CB 0.099 38.117 38.000 0.030 0.000 1.018 253 I HN 0.041 nan 8.210 nan 0.000 0.439 254 S N 2.281 117.992 115.700 0.018 0.000 2.387 254 S HA -0.071 4.400 4.470 0.001 0.000 0.230 254 S C -0.400 174.208 174.600 0.013 0.000 1.035 254 S CA 1.672 59.881 58.200 0.015 0.000 1.014 254 S CB -1.311 61.897 63.200 0.013 0.000 0.836 254 S HN 0.470 nan 8.310 nan 0.000 0.466 255 P HA 0.062 nan 4.420 nan 0.000 0.234 255 P C 0.790 178.097 177.300 0.013 0.000 1.167 255 P CA 0.608 63.715 63.100 0.013 0.000 0.763 255 P CB -0.103 31.605 31.700 0.013 0.000 0.835 256 L N -2.254 118.977 121.223 0.014 0.000 2.552 256 L HA 0.102 4.443 4.340 0.001 0.000 0.227 256 L C 1.476 178.351 176.870 0.008 0.000 1.146 256 L CA 0.437 55.284 54.840 0.012 0.000 0.858 256 L CB -1.151 40.916 42.059 0.013 0.000 0.969 256 L HN 0.131 nan 8.230 nan 0.000 0.451 257 G N -0.078 108.727 108.800 0.008 0.000 2.601 257 G HA2 -0.288 3.673 3.960 0.001 0.000 0.252 257 G HA3 -0.288 3.673 3.960 0.001 0.000 0.252 257 G C -0.018 174.886 174.900 0.006 0.000 1.294 257 G CA -0.225 44.879 45.100 0.007 0.000 0.912 257 G HN 0.116 nan 8.290 nan 0.000 0.574 258 T N 1.803 116.360 114.554 0.004 0.000 2.817 258 T HA 0.435 4.786 4.350 0.001 0.000 0.295 258 T C 1.006 175.708 174.700 0.002 0.000 0.958 258 T CA 0.033 62.136 62.100 0.005 0.000 1.157 258 T CB 0.324 69.194 68.868 0.004 0.000 0.898 258 T HN 0.557 nan 8.240 nan 0.000 0.536 259 L N 5.441 126.668 121.223 0.006 0.000 2.426 259 L HA 0.253 4.594 4.340 0.001 0.000 0.271 259 L C -1.661 175.210 176.870 0.002 0.000 1.169 259 L CA -2.069 52.773 54.840 0.003 0.000 0.836 259 L CB 0.062 42.129 42.059 0.013 0.000 1.112 259 L HN 0.371 nan 8.230 nan 0.000 0.465 260 P HA 0.020 nan 4.420 nan 0.000 0.266 260 P C 0.055 177.364 177.300 0.016 0.000 1.193 260 P CA -0.189 62.907 63.100 -0.006 0.000 0.770 260 P CB 0.514 32.195 31.700 -0.032 0.000 0.836 261 R N 2.317 122.830 120.500 0.022 0.000 2.241 261 R HA -0.093 4.248 4.340 0.001 0.000 0.224 261 R C 1.352 177.683 176.300 0.052 0.000 1.101 261 R CA 1.031 57.150 56.100 0.032 0.000 0.995 261 R CB -0.688 29.628 30.300 0.026 0.000 0.870 261 R HN 0.541 nan 8.270 nan 0.000 0.463 262 N N -0.813 117.931 118.700 0.072 0.000 2.314 262 N HA -0.008 4.733 4.740 0.001 0.000 0.200 262 N C -0.765 174.855 175.510 0.184 0.000 1.135 262 N CA 0.078 53.205 53.050 0.128 0.000 0.835 262 N CB 0.555 39.148 38.487 0.177 0.000 0.989 262 N HN -0.127 nan 8.380 nan 0.000 0.478 263 V N 1.848 121.833 119.914 0.119 0.000 2.407 263 V HA 0.389 4.509 4.120 0.001 0.000 0.291 263 V C -0.193 175.954 176.094 0.089 0.000 1.018 263 V CA -0.983 61.396 62.300 0.131 0.000 0.842 263 V CB 1.343 33.195 31.823 0.048 0.000 0.996 263 V HN 0.362 nan 8.190 nan 0.000 0.426 264 R N 3.989 124.546 120.500 0.095 0.000 2.562 264 R HA 0.904 5.245 4.340 0.001 0.000 0.298 264 R C -0.364 175.971 176.300 0.060 0.000 0.961 264 R CA -0.485 55.653 56.100 0.063 0.000 0.881 264 R CB 1.921 32.250 30.300 0.049 0.000 1.159 264 R HN 0.629 nan 8.270 nan 0.000 0.450 265 A N 2.938 125.787 122.820 0.048 0.000 2.327 265 A HA 0.549 4.870 4.320 0.001 0.000 0.283 265 A C 0.144 177.752 177.584 0.040 0.000 1.127 265 A CA -0.581 51.484 52.037 0.047 0.000 0.810 265 A CB 0.857 19.883 19.000 0.043 0.000 1.066 265 A HN 0.745 nan 8.150 nan 0.000 0.492 266 V N 0.032 119.971 119.914 0.041 0.000 2.914 266 V HA 0.911 5.032 4.120 0.001 0.000 0.314 266 V C 0.552 176.674 176.094 0.046 0.000 1.084 266 V CA -0.233 62.085 62.300 0.029 0.000 0.963 266 V CB 1.097 32.923 31.823 0.005 0.000 1.025 266 V HN 1.287 nan 8.190 nan 0.000 0.432 267 G N 0.626 109.454 108.800 0.048 0.000 2.621 267 G HA2 0.327 4.288 3.960 0.001 0.000 0.271 267 G HA3 0.327 4.288 3.960 0.001 0.000 0.271 267 G C -0.905 174.060 174.900 0.110 0.000 1.236 267 G CA -0.583 44.572 45.100 0.091 0.000 0.958 267 G HN 1.077 nan 8.290 nan 0.000 0.512 268 W N 1.474 122.773 121.300 -0.001 0.000 2.251 268 W HA 0.455 5.116 4.660 0.002 0.000 0.327 268 W C 0.621 177.128 176.519 -0.019 0.000 1.361 268 W CA 0.302 57.643 57.345 -0.006 0.000 1.234 268 W CB 0.513 29.971 29.460 -0.004 0.000 1.212 268 W HN 0.668 nan 8.180 nan 0.000 0.557 269 T N 3.725 117.632 114.554 -1.079 0.000 2.883 269 T HA 0.545 4.896 4.350 0.001 0.000 0.296 269 T C -2.754 170.885 174.700 -1.768 0.000 1.117 269 T CA -2.455 58.809 62.100 -1.394 0.000 1.006 269 T CB 1.552 70.033 68.868 -0.644 0.000 1.191 269 T HN 0.146 nan 8.240 nan 0.000 0.508 270 P HA 0.051 nan 4.420 nan 0.000 0.263 270 P C 0.923 177.883 177.300 -0.567 0.000 1.175 270 P CA -0.340 62.306 63.100 -0.757 0.000 0.761 270 P CB 0.325 31.612 31.700 -0.688 0.000 0.794 271 L N 4.772 125.855 121.223 -0.233 0.000 2.042 271 L HA -0.227 4.113 4.340 0.001 0.000 0.210 271 L C 2.440 179.250 176.870 -0.099 0.000 1.076 271 L CA 1.857 56.636 54.840 -0.102 0.000 0.749 271 L CB -1.221 40.874 42.059 0.061 0.000 0.893 271 L HN 0.555 nan 8.230 nan 0.000 0.432 272 H N -2.830 116.235 119.070 -0.008 0.000 2.387 272 H HA -0.113 4.444 4.556 0.001 0.000 0.299 272 H C 1.654 176.963 175.328 -0.032 0.000 1.099 272 H CA 1.653 57.706 56.048 0.008 0.000 1.315 272 H CB -1.218 28.565 29.762 0.036 0.000 1.380 272 H HN 0.342 nan 8.280 nan 0.000 0.513 273 T N 2.249 116.500 114.554 -0.505 0.000 2.674 273 T HA -0.127 4.223 4.350 0.001 0.000 0.265 273 T C 2.269 176.861 174.700 -0.179 0.000 1.039 273 T CA 1.281 63.196 62.100 -0.309 0.000 1.150 273 T CB -0.468 68.140 68.868 -0.434 0.000 0.864 273 T HN 0.180 nan 8.240 nan 0.000 0.427 274 L N 1.000 122.101 121.223 -0.204 0.000 2.012 274 L HA 0.018 4.359 4.340 0.001 0.000 0.210 274 L C 2.078 178.913 176.870 -0.058 0.000 1.073 274 L CA 1.658 56.424 54.840 -0.123 0.000 0.748 274 L CB -0.617 41.370 42.059 -0.120 0.000 0.891 274 L HN 0.259 nan 8.230 nan 0.000 0.431 275 L N -1.015 120.190 121.223 -0.030 0.000 2.465 275 L HA -0.067 4.274 4.340 0.001 0.000 0.224 275 L C 2.538 179.414 176.870 0.010 0.000 1.145 275 L CA 0.302 55.145 54.840 0.006 0.000 0.834 275 L CB -0.582 41.499 42.059 0.037 0.000 0.944 275 L HN 0.269 nan 8.230 nan 0.000 0.451 276 R N 0.210 120.714 120.500 0.006 0.000 2.139 276 R HA -0.158 4.183 4.340 0.001 0.000 0.243 276 R C 1.796 178.094 176.300 -0.003 0.000 1.145 276 R CA 1.956 58.062 56.100 0.009 0.000 0.976 276 R CB -0.482 29.821 30.300 0.005 0.000 0.866 276 R HN 0.475 nan 8.270 nan 0.000 0.449 277 T N -3.903 110.642 114.554 -0.015 0.000 3.085 277 T HA 0.244 4.595 4.350 0.001 0.000 0.264 277 T C 0.504 175.189 174.700 -0.026 0.000 1.019 277 T CA -0.535 61.553 62.100 -0.020 0.000 0.910 277 T CB -0.047 68.806 68.868 -0.025 0.000 1.059 277 T HN 0.012 nan 8.240 nan 0.000 0.542 278 C N 1.079 120.366 119.300 -0.021 0.000 2.366 278 C HA 0.658 5.119 4.460 0.001 0.000 0.345 278 C C 2.053 177.024 174.990 -0.031 0.000 1.209 278 C CA -0.468 58.532 59.018 -0.029 0.000 2.050 278 C CB 1.262 28.993 27.740 -0.015 0.000 2.359 278 C HN 0.543 nan 8.230 nan 0.000 0.527 279 T N 0.297 114.820 114.554 -0.052 0.000 3.054 279 T HA 0.393 4.744 4.350 0.001 0.000 0.259 279 T C 0.327 175.003 174.700 -0.039 0.000 1.092 279 T CA 1.195 63.264 62.100 -0.051 0.000 1.121 279 T CB -0.017 68.806 68.868 -0.075 0.000 0.912 279 T HN 0.984 nan 8.240 nan 0.000 0.489 280 A N -0.511 122.288 122.820 -0.035 0.000 2.566 280 A HA 0.671 4.992 4.320 0.001 0.000 0.290 280 A C -1.809 175.787 177.584 0.020 0.000 1.071 280 A CA -0.541 51.490 52.037 -0.010 0.000 0.658 280 A CB 1.229 20.215 19.000 -0.022 0.000 1.285 280 A HN 0.359 nan 8.150 nan 0.000 0.427 281 V N 0.520 120.468 119.914 0.056 0.000 2.808 281 V HA 0.678 4.799 4.120 0.001 0.000 0.308 281 V C -1.414 174.745 176.094 0.108 0.000 1.099 281 V CA -0.471 61.894 62.300 0.107 0.000 0.920 281 V CB 1.904 33.815 31.823 0.146 0.000 1.014 281 V HN 1.121 nan 8.190 nan 0.000 0.425 282 V N 7.551 127.533 119.914 0.113 0.000 2.370 282 V HA 0.661 4.782 4.120 0.001 0.000 0.283 282 V C -0.199 175.955 176.094 0.100 0.000 1.023 282 V CA -0.164 62.156 62.300 0.032 0.000 0.857 282 V CB 1.083 32.935 31.823 0.050 0.000 0.985 282 V HN 1.210 nan 8.190 nan 0.000 0.443 283 H N 1.342 120.428 119.070 0.027 0.000 2.960 283 H HA 0.656 5.213 4.556 0.001 0.000 0.303 283 H C -0.728 174.599 175.328 -0.002 0.000 1.412 283 H CA -0.936 55.173 56.048 0.102 0.000 1.227 283 H CB 1.268 31.099 29.762 0.115 0.000 1.912 283 H HN 0.430 nan 8.280 nan 0.000 0.583 284 H N -0.534 118.684 119.070 0.247 0.000 2.486 284 H HA 0.325 4.882 4.556 0.002 0.000 0.284 284 H C 0.935 176.393 175.328 0.217 0.000 1.103 284 H CA 0.261 56.396 56.048 0.145 0.000 1.089 284 H CB 0.475 30.310 29.762 0.123 0.000 1.603 284 H HN 1.076 nan 8.280 nan 0.000 0.557 285 G N 0.704 109.807 108.800 0.505 0.000 2.225 285 G HA2 -0.269 3.692 3.960 0.001 0.000 0.267 285 G HA3 -0.269 3.692 3.960 0.001 0.000 0.267 285 G C 0.878 175.940 174.900 0.271 0.000 1.024 285 G CA 0.174 45.507 45.100 0.389 0.000 0.784 285 G HN 0.738 nan 8.290 nan 0.000 0.507 286 G N -0.359 108.591 108.800 0.250 0.000 2.699 286 G HA2 0.586 4.547 3.960 0.001 0.000 0.246 286 G HA3 0.586 4.547 3.960 0.001 0.000 0.246 286 G C 1.071 176.050 174.900 0.132 0.000 1.219 286 G CA 0.289 45.495 45.100 0.177 0.000 0.866 286 G HN 1.436 nan 8.290 nan 0.000 0.572 287 G N -1.363 107.512 108.800 0.125 0.000 2.225 287 G HA2 0.487 4.448 3.960 0.001 0.000 0.245 287 G HA3 0.487 4.448 3.960 0.001 0.000 0.245 287 G C 1.359 176.363 174.900 0.173 0.000 1.249 287 G CA 0.694 45.880 45.100 0.144 0.000 0.919 287 G HN 2.040 nan 8.290 nan 0.000 0.486 288 G N 1.623 110.504 108.800 0.135 0.000 2.189 288 G HA2 -0.339 3.622 3.960 0.001 0.000 0.267 288 G HA3 -0.339 3.622 3.960 0.001 0.000 0.267 288 G C 1.548 176.416 174.900 -0.054 0.000 0.975 288 G CA 1.496 46.639 45.100 0.073 0.000 0.644 288 G HN 1.740 nan 8.290 nan 0.000 0.537 289 T N -1.539 112.960 114.554 -0.090 0.000 2.708 289 T HA -0.043 4.308 4.350 0.001 0.000 0.266 289 T C 2.273 176.731 174.700 -0.403 0.000 1.037 289 T CA 2.117 64.040 62.100 -0.296 0.000 1.146 289 T CB -0.517 68.008 68.868 -0.572 0.000 0.865 289 T HN 0.563 nan 8.240 nan 0.000 0.435 290 V N 1.573 121.300 119.914 -0.311 0.000 2.255 290 V HA -0.161 3.960 4.120 0.001 0.000 0.247 290 V C 2.865 178.747 176.094 -0.353 0.000 1.051 290 V CA 1.913 64.065 62.300 -0.246 0.000 1.018 290 V CB -0.695 31.010 31.823 -0.196 0.000 0.641 290 V HN 0.399 nan 8.190 nan 0.000 0.445 291 M N -0.547 118.738 119.600 -0.526 0.000 2.254 291 M HA -0.074 4.407 4.480 0.001 0.000 0.265 291 M C 2.196 178.293 176.300 -0.337 0.000 1.066 291 M CA 1.570 56.465 55.300 -0.676 0.000 1.123 291 M CB -1.589 30.160 32.600 -1.418 0.000 1.388 291 M HN 0.396 nan 8.290 nan 0.000 0.425 292 T N 0.858 115.331 114.554 -0.136 0.000 2.857 292 T HA 0.019 4.370 4.350 0.001 0.000 0.266 292 T C 1.908 176.657 174.700 0.081 0.000 1.048 292 T CA 1.358 63.572 62.100 0.191 0.000 1.139 292 T CB -0.171 68.868 68.868 0.285 0.000 0.874 292 T HN 0.446 nan 8.240 nan 0.000 0.455 293 A N 1.608 124.419 122.820 -0.015 0.000 1.933 293 A HA -0.022 4.299 4.320 0.001 0.000 0.218 293 A C 2.198 179.779 177.584 -0.004 0.000 1.175 293 A CA 0.965 53.005 52.037 0.005 0.000 0.628 293 A CB -0.598 18.413 19.000 0.018 0.000 0.814 293 A HN 0.358 nan 8.150 nan 0.000 0.444 294 I N 0.444 120.984 120.570 -0.051 0.000 2.179 294 I HA -0.221 3.950 4.170 0.001 0.000 0.242 294 I C 2.160 178.289 176.117 0.019 0.000 1.088 294 I CA 2.149 63.421 61.300 -0.046 0.000 1.357 294 I CB -1.408 36.522 38.000 -0.118 0.000 1.051 294 I HN 0.465 nan 8.210 nan 0.000 0.409 295 D N 0.928 121.377 120.400 0.081 0.000 2.149 295 D HA -0.168 4.472 4.640 0.001 0.000 0.198 295 D C 2.099 178.447 176.300 0.081 0.000 0.990 295 D CA 1.545 55.619 54.000 0.123 0.000 0.839 295 D CB 0.152 41.083 40.800 0.219 0.000 0.948 295 D HN 0.290 nan 8.370 nan 0.000 0.460 296 A N -0.583 122.281 122.820 0.072 0.000 2.066 296 A HA 0.283 4.604 4.320 0.001 0.000 0.218 296 A C 1.980 179.581 177.584 0.029 0.000 1.157 296 A CA 1.294 53.363 52.037 0.052 0.000 0.670 296 A CB -0.780 18.251 19.000 0.052 0.000 0.804 296 A HN 0.586 nan 8.150 nan 0.000 0.453 297 G N -0.433 108.379 108.800 0.020 0.000 2.176 297 G HA2 -0.237 3.724 3.960 0.001 0.000 0.252 297 G HA3 -0.237 3.724 3.960 0.001 0.000 0.252 297 G C 0.139 175.038 174.900 -0.001 0.000 1.024 297 G CA 0.486 45.589 45.100 0.005 0.000 0.755 297 G HN 1.397 nan 8.290 nan 0.000 0.507 298 I N -2.626 117.945 120.570 0.002 0.000 2.648 298 I HA 0.781 4.952 4.170 0.001 0.000 0.304 298 I C -2.165 173.951 176.117 -0.002 0.000 1.009 298 I CA -3.349 57.950 61.300 -0.001 0.000 1.114 298 I CB 2.125 40.128 38.000 0.005 0.000 1.293 298 I HN -0.121 nan 8.210 nan 0.000 0.449 299 P HA 0.132 nan 4.420 nan 0.000 0.271 299 P C -1.564 175.740 177.300 0.007 0.000 1.218 299 P CA 0.025 63.120 63.100 -0.009 0.000 0.780 299 P CB 0.707 32.398 31.700 -0.015 0.000 0.901 300 Q N 1.165 120.968 119.800 0.005 0.000 2.413 300 Q HA 0.701 5.042 4.340 0.001 0.000 0.276 300 Q C -1.542 174.425 176.000 -0.056 0.000 1.099 300 Q CA -1.297 54.518 55.803 0.020 0.000 0.814 300 Q CB 1.803 30.611 28.738 0.116 0.000 1.379 300 Q HN 0.233 nan 8.270 nan 0.000 0.436 301 L N 2.396 123.547 121.223 -0.121 0.000 2.316 301 L HA 0.399 4.740 4.340 0.001 0.000 0.280 301 L C -1.633 174.991 176.870 -0.410 0.000 1.006 301 L CA -0.857 53.870 54.840 -0.189 0.000 0.836 301 L CB 1.560 43.547 42.059 -0.119 0.000 1.221 301 L HN 0.741 nan 8.230 nan 0.000 0.418 302 L N 6.028 127.021 121.223 -0.384 0.000 2.295 302 L HA 0.669 5.010 4.340 0.001 0.000 0.288 302 L C 0.115 176.811 176.870 -0.290 0.000 1.079 302 L CA 0.263 54.842 54.840 -0.435 0.000 0.830 302 L CB 0.632 42.569 42.059 -0.203 0.000 1.200 302 L HN 0.797 nan 8.230 nan 0.000 0.438 303 A N 7.750 130.358 122.820 -0.353 0.000 3.258 303 A HA 0.555 4.876 4.320 0.001 0.000 0.318 303 A C -2.607 174.731 177.584 -0.409 0.000 0.990 303 A CA -1.093 50.746 52.037 -0.330 0.000 0.885 303 A CB -0.429 18.369 19.000 -0.338 0.000 1.090 303 A HN 0.567 nan 8.150 nan 0.000 0.479 304 P HA 0.002 nan 4.420 nan 0.000 0.270 304 P C -0.336 176.868 177.300 -0.160 0.000 1.223 304 P CA 0.017 63.044 63.100 -0.121 0.000 0.785 304 P CB 0.672 32.345 31.700 -0.045 0.000 0.923 305 D N 2.329 122.594 120.400 -0.224 0.000 2.525 305 D HA -0.056 4.585 4.640 0.001 0.000 0.235 305 D C -1.024 175.091 176.300 -0.308 0.000 1.137 305 D CA -0.982 52.786 54.000 -0.387 0.000 0.868 305 D CB 0.657 40.843 40.800 -1.024 0.000 1.180 305 D HN 0.227 nan 8.370 nan 0.000 0.465 306 P HA -0.073 nan 4.420 nan 0.000 0.230 306 P C 0.810 178.077 177.300 -0.056 0.000 1.158 306 P CA 0.741 63.789 63.100 -0.087 0.000 0.769 306 P CB 0.257 31.927 31.700 -0.050 0.000 0.807 307 R N -0.579 119.874 120.500 -0.078 0.000 2.276 307 R HA 0.058 4.398 4.340 0.001 0.000 0.196 307 R C 0.889 177.267 176.300 0.131 0.000 0.961 307 R CA -0.100 56.032 56.100 0.053 0.000 1.024 307 R CB -0.343 30.054 30.300 0.162 0.000 0.940 307 R HN 0.133 nan 8.270 nan 0.000 0.480 308 D N 1.377 121.753 120.400 -0.041 0.000 2.434 308 D HA -0.060 4.581 4.640 0.001 0.000 0.252 308 D C 0.264 176.673 176.300 0.181 0.000 1.185 308 D CA 0.555 54.656 54.000 0.169 0.000 0.886 308 D CB 1.098 41.913 40.800 0.026 0.000 1.148 308 D HN 0.108 nan 8.370 nan 0.000 0.483 309 Q N 2.363 122.309 119.800 0.242 0.000 2.392 309 Q HA 0.077 4.417 4.340 0.001 0.000 0.203 309 Q C 0.239 176.160 176.000 -0.131 0.000 0.917 309 Q CA 0.304 56.131 55.803 0.041 0.000 0.939 309 Q CB 0.377 29.106 28.738 -0.015 0.000 1.063 309 Q HN 0.485 nan 8.270 nan 0.000 0.516 310 F N 0.228 120.281 119.950 0.173 0.000 2.923 310 F HA 0.218 4.746 4.527 0.002 0.000 0.314 310 F C 1.002 177.050 175.800 0.412 0.000 1.196 310 F CA -0.133 58.056 58.000 0.314 0.000 1.320 310 F CB 0.915 40.012 39.000 0.161 0.000 0.953 310 F HN -0.054 nan 8.300 nan 0.000 0.505 311 Q N -1.407 118.595 119.800 0.338 0.000 2.189 311 Q HA 0.009 4.349 4.340 0.001 0.000 0.223 311 Q C 1.708 177.730 176.000 0.037 0.000 0.828 311 Q CA 0.177 56.088 55.803 0.180 0.000 0.967 311 Q CB -0.071 28.744 28.738 0.128 0.000 1.139 311 Q HN 0.568 nan 8.270 nan 0.000 0.497 312 H N 1.688 120.734 119.070 -0.041 0.000 2.289 312 H HA -0.149 4.408 4.556 0.001 0.000 0.296 312 H C 1.987 177.164 175.328 -0.252 0.000 1.091 312 H CA 3.098 59.077 56.048 -0.116 0.000 1.274 312 H CB 0.137 29.868 29.762 -0.051 0.000 1.364 312 H HN 0.247 nan 8.280 nan 0.000 0.490 313 T N -2.499 111.604 114.554 -0.752 0.000 2.942 313 T HA 0.097 4.448 4.350 0.001 0.000 0.265 313 T C 2.244 176.661 174.700 -0.472 0.000 1.062 313 T CA 0.929 62.552 62.100 -0.794 0.000 1.139 313 T CB -0.707 67.538 68.868 -1.038 0.000 0.883 313 T HN 0.442 nan 8.240 nan 0.000 0.468 314 A N 1.795 124.410 122.820 -0.343 0.000 1.898 314 A HA 0.068 4.389 4.320 0.001 0.000 0.216 314 A C 2.540 180.085 177.584 -0.065 0.000 1.181 314 A CA 1.336 53.333 52.037 -0.067 0.000 0.620 314 A CB -0.756 18.270 19.000 0.042 0.000 0.819 314 A HN 0.473 nan 8.150 nan 0.000 0.442 315 R N -0.238 120.192 120.500 -0.116 0.000 2.094 315 R HA -0.197 4.144 4.340 0.001 0.000 0.239 315 R C 2.187 178.414 176.300 -0.122 0.000 1.137 315 R CA 2.055 58.094 56.100 -0.102 0.000 0.943 315 R CB -0.307 29.936 30.300 -0.094 0.000 0.850 315 R HN 0.699 nan 8.270 nan 0.000 0.433 316 E N -0.593 119.482 120.200 -0.208 0.000 2.085 316 E HA -0.212 4.139 4.350 0.001 0.000 0.194 316 E C 1.939 178.477 176.600 -0.103 0.000 0.994 316 E CA 1.180 57.471 56.400 -0.181 0.000 0.801 316 E CB -0.109 29.414 29.700 -0.295 0.000 0.743 316 E HN 0.436 nan 8.360 nan 0.000 0.453 317 A N 0.867 123.643 122.820 -0.074 0.000 1.877 317 A HA -0.136 4.185 4.320 0.001 0.000 0.216 317 A C 2.500 180.067 177.584 -0.029 0.000 1.186 317 A CA 1.183 53.223 52.037 0.005 0.000 0.620 317 A CB -0.633 18.468 19.000 0.170 0.000 0.822 317 A HN 0.113 nan 8.150 nan 0.000 0.443 318 V N -0.292 119.597 119.914 -0.042 0.000 2.307 318 V HA -0.195 3.926 4.120 0.001 0.000 0.245 318 V C 2.810 178.871 176.094 -0.056 0.000 1.045 318 V CA 2.303 64.566 62.300 -0.061 0.000 1.024 318 V CB -0.730 31.061 31.823 -0.053 0.000 0.651 318 V HN 0.550 nan 8.190 nan 0.000 0.449 319 S N -0.478 115.190 115.700 -0.053 0.000 2.356 319 S HA -0.215 4.256 4.470 0.001 0.000 0.223 319 S C 2.120 176.696 174.600 -0.039 0.000 1.032 319 S CA 1.824 59.996 58.200 -0.046 0.000 1.005 319 S CB -0.380 62.792 63.200 -0.046 0.000 0.867 319 S HN 0.588 nan 8.310 nan 0.000 0.449 320 R N 0.960 121.436 120.500 -0.039 0.000 2.096 320 R HA -0.036 4.305 4.340 0.001 0.000 0.235 320 R C 2.287 178.570 176.300 -0.029 0.000 1.127 320 R CA 1.399 57.481 56.100 -0.030 0.000 0.968 320 R CB -0.120 30.164 30.300 -0.027 0.000 0.861 320 R HN 0.091 nan 8.270 nan 0.000 0.440 321 R N -0.314 120.165 120.500 -0.035 0.000 2.161 321 R HA 0.070 4.411 4.340 0.001 0.000 0.213 321 R C 0.910 177.186 176.300 -0.040 0.000 1.055 321 R CA 1.314 57.391 56.100 -0.039 0.000 0.996 321 R CB -0.160 30.109 30.300 -0.051 0.000 0.901 321 R HN 0.509 nan 8.270 nan 0.000 0.456 322 G N 0.607 109.382 108.800 -0.042 0.000 2.136 322 G HA2 -0.250 3.710 3.960 0.001 0.000 0.242 322 G HA3 -0.250 3.710 3.960 0.001 0.000 0.242 322 G C 0.675 175.550 174.900 -0.042 0.000 0.989 322 G CA 0.461 45.538 45.100 -0.038 0.000 0.682 322 G HN 0.519 nan 8.290 nan 0.000 0.522 323 I N -1.912 118.627 120.570 -0.052 0.000 3.444 323 I HA 0.515 4.686 4.170 0.001 0.000 0.287 323 I C 0.968 177.057 176.117 -0.046 0.000 1.302 323 I CA 0.674 61.942 61.300 -0.054 0.000 1.368 323 I CB 0.032 37.985 38.000 -0.078 0.000 1.048 323 I HN 0.571 nan 8.210 nan 0.000 0.487 324 G N 0.760 109.533 108.800 -0.046 0.000 2.488 324 G HA2 0.584 4.545 3.960 0.001 0.000 0.301 324 G HA3 0.584 4.545 3.960 0.001 0.000 0.301 324 G C -1.643 173.227 174.900 -0.050 0.000 1.339 324 G CA -0.846 44.227 45.100 -0.045 0.000 0.803 324 G HN 0.077 nan 8.290 nan 0.000 0.482 325 L N -0.133 121.054 121.223 -0.059 0.000 2.319 325 L HA 0.823 5.164 4.340 0.001 0.000 0.267 325 L C -0.017 176.804 176.870 -0.082 0.000 1.011 325 L CA -1.344 53.460 54.840 -0.061 0.000 0.818 325 L CB 2.114 44.141 42.059 -0.054 0.000 1.316 325 L HN 0.620 nan 8.230 nan 0.000 0.432 326 V N -1.345 118.525 119.914 -0.073 0.000 2.656 326 V HA 0.897 5.018 4.120 0.001 0.000 0.307 326 V C -0.574 175.474 176.094 -0.076 0.000 1.051 326 V CA -0.123 62.127 62.300 -0.084 0.000 0.893 326 V CB 1.656 33.438 31.823 -0.068 0.000 0.999 326 V HN 0.825 nan 8.190 nan 0.000 0.426 327 S N 2.675 118.319 115.700 -0.093 0.000 2.843 327 S HA 0.843 5.313 4.470 0.001 0.000 0.301 327 S C -0.258 174.285 174.600 -0.095 0.000 1.206 327 S CA 0.126 58.276 58.200 -0.082 0.000 0.875 327 S CB 1.895 65.046 63.200 -0.082 0.000 1.248 327 S HN 1.731 nan 8.310 nan 0.000 0.555 328 T N -0.007 114.495 114.554 -0.087 0.000 2.940 328 T HA 0.494 4.845 4.350 0.001 0.000 0.288 328 T C 1.412 176.044 174.700 -0.114 0.000 1.033 328 T CA 0.132 62.170 62.100 -0.102 0.000 1.033 328 T CB 1.195 70.018 68.868 -0.075 0.000 1.079 328 T HN 0.871 nan 8.240 nan 0.000 0.496 329 S N 1.024 116.642 115.700 -0.136 0.000 2.387 329 S HA -0.244 4.227 4.470 0.001 0.000 0.230 329 S C 1.577 176.144 174.600 -0.056 0.000 1.035 329 S CA 1.593 59.725 58.200 -0.113 0.000 1.014 329 S CB -0.897 62.282 63.200 -0.035 0.000 0.836 329 S HN 0.921 nan 8.310 nan 0.000 0.466 330 D N 1.482 121.856 120.400 -0.044 0.000 2.264 330 D HA -0.123 4.517 4.640 0.001 0.000 0.208 330 D C 1.417 177.698 176.300 -0.032 0.000 0.966 330 D CA 0.907 54.891 54.000 -0.028 0.000 0.864 330 D CB -0.264 40.523 40.800 -0.022 0.000 0.933 330 D HN 0.505 nan 8.370 nan 0.000 0.499 331 K N 0.190 120.565 120.400 -0.042 0.000 2.355 331 K HA 0.172 4.493 4.320 0.001 0.000 0.198 331 K C 0.145 176.719 176.600 -0.043 0.000 1.039 331 K CA -0.223 56.041 56.287 -0.038 0.000 1.075 331 K CB 1.568 34.045 32.500 -0.037 0.000 0.870 331 K HN -0.063 nan 8.250 nan 0.000 0.540 332 V N 4.091 123.972 119.914 -0.054 0.000 2.540 332 V HA -0.075 4.046 4.120 0.001 0.000 0.297 332 V C 0.037 176.104 176.094 -0.044 0.000 1.024 332 V CA 0.225 62.492 62.300 -0.055 0.000 1.105 332 V CB -0.113 31.668 31.823 -0.070 0.000 0.938 332 V HN 0.344 nan 8.190 nan 0.000 0.482 333 D N 4.045 124.423 120.400 -0.036 0.000 2.585 333 D HA 0.619 5.260 4.640 0.001 0.000 0.254 333 D C 0.787 177.072 176.300 -0.024 0.000 1.067 333 D CA -0.192 53.789 54.000 -0.031 0.000 1.090 333 D CB 1.565 42.351 40.800 -0.024 0.000 1.408 333 D HN 0.367 nan 8.370 nan 0.000 0.554 334 A N -0.078 122.730 122.820 -0.020 0.000 1.902 334 A HA -0.184 4.137 4.320 0.001 0.000 0.217 334 A C 1.556 179.147 177.584 0.012 0.000 1.181 334 A CA 1.784 53.818 52.037 -0.005 0.000 0.623 334 A CB -0.844 18.153 19.000 -0.004 0.000 0.818 334 A HN 0.586 nan 8.150 nan 0.000 0.443 335 D N -0.541 119.861 120.400 0.003 0.000 2.144 335 D HA -0.126 4.515 4.640 0.001 0.000 0.199 335 D C 1.805 178.108 176.300 0.005 0.000 0.984 335 D CA 1.139 55.142 54.000 0.005 0.000 0.834 335 D CB -0.291 40.508 40.800 -0.001 0.000 0.955 335 D HN 0.345 nan 8.370 nan 0.000 0.465 336 L N 0.571 121.793 121.223 -0.001 0.000 2.056 336 L HA -0.076 4.264 4.340 0.001 0.000 0.207 336 L C 2.204 179.080 176.870 0.010 0.000 1.078 336 L CA 1.259 56.096 54.840 -0.005 0.000 0.749 336 L CB -0.420 41.627 42.059 -0.020 0.000 0.901 336 L HN 0.008 nan 8.230 nan 0.000 0.433 337 L N -1.143 120.098 121.223 0.031 0.000 2.093 337 L HA -0.155 4.186 4.340 0.001 0.000 0.208 337 L C 2.683 179.603 176.870 0.082 0.000 1.085 337 L CA 1.019 55.907 54.840 0.081 0.000 0.755 337 L CB -0.448 41.692 42.059 0.134 0.000 0.904 337 L HN 0.221 nan 8.230 nan 0.000 0.435 338 R N -0.351 120.186 120.500 0.062 0.000 2.092 338 R HA -0.152 4.189 4.340 0.001 0.000 0.231 338 R C 2.379 178.692 176.300 0.021 0.000 1.119 338 R CA 1.032 57.158 56.100 0.044 0.000 0.970 338 R CB -0.310 30.011 30.300 0.035 0.000 0.864 338 R HN 0.272 nan 8.270 nan 0.000 0.440 339 R N 0.923 121.431 120.500 0.014 0.000 2.075 339 R HA -0.130 4.211 4.340 0.001 0.000 0.232 339 R C 2.201 178.500 176.300 -0.001 0.000 1.126 339 R CA 1.110 57.211 56.100 0.002 0.000 0.963 339 R CB -0.260 30.037 30.300 -0.004 0.000 0.858 339 R HN 0.124 nan 8.270 nan 0.000 0.435 340 L N 1.095 122.320 121.223 0.004 0.000 2.012 340 L HA -0.158 4.183 4.340 0.001 0.000 0.210 340 L C 1.937 178.804 176.870 -0.006 0.000 1.073 340 L CA 1.795 56.635 54.840 -0.001 0.000 0.748 340 L CB -0.259 41.807 42.059 0.012 0.000 0.891 340 L HN 0.243 nan 8.230 nan 0.000 0.431 341 I N -1.159 119.410 120.570 -0.003 0.000 2.500 341 I HA -0.081 4.090 4.170 0.001 0.000 0.252 341 I C 2.183 178.288 176.117 -0.021 0.000 1.142 341 I CA 1.107 62.393 61.300 -0.023 0.000 1.451 341 I CB -0.603 37.378 38.000 -0.031 0.000 1.093 341 I HN 0.407 nan 8.210 nan 0.000 0.430 342 G N -1.136 107.658 108.800 -0.011 0.000 2.709 342 G HA2 -0.076 3.885 3.960 0.001 0.000 0.208 342 G HA3 -0.076 3.885 3.960 0.001 0.000 0.208 342 G C 0.425 175.318 174.900 -0.011 0.000 1.129 342 G CA -0.124 44.970 45.100 -0.011 0.000 0.793 342 G HN 0.155 nan 8.290 nan 0.000 0.524 343 D N 1.153 121.546 120.400 -0.011 0.000 2.348 343 D HA 0.098 4.739 4.640 0.001 0.000 0.259 343 D C 1.181 177.473 176.300 -0.015 0.000 1.296 343 D CA -0.209 53.783 54.000 -0.012 0.000 0.931 343 D CB 0.742 41.534 40.800 -0.013 0.000 1.067 343 D HN 0.010 nan 8.370 nan 0.000 0.503 344 E N 1.853 122.045 120.200 -0.014 0.000 2.160 344 E HA -0.130 4.221 4.350 0.001 0.000 0.195 344 E C 1.682 178.272 176.600 -0.016 0.000 0.991 344 E CA 0.507 56.898 56.400 -0.015 0.000 0.810 344 E CB 0.111 29.803 29.700 -0.014 0.000 0.742 344 E HN 0.430 nan 8.360 nan 0.000 0.466 345 S N 0.710 116.400 115.700 -0.016 0.000 2.387 345 S HA -0.147 4.324 4.470 0.001 0.000 0.230 345 S C 2.042 176.630 174.600 -0.021 0.000 1.035 345 S CA 0.877 59.066 58.200 -0.018 0.000 1.014 345 S CB -0.171 63.019 63.200 -0.017 0.000 0.836 345 S HN 0.238 nan 8.310 nan 0.000 0.466 346 L N 0.453 121.664 121.223 -0.021 0.000 2.027 346 L HA -0.037 4.304 4.340 0.001 0.000 0.206 346 L C 2.706 179.562 176.870 -0.024 0.000 1.074 346 L CA 1.234 56.059 54.840 -0.024 0.000 0.745 346 L CB -0.433 41.612 42.059 -0.023 0.000 0.898 346 L HN 0.204 nan 8.230 nan 0.000 0.433 347 R N -0.248 120.240 120.500 -0.021 0.000 2.075 347 R HA -0.135 4.206 4.340 0.001 0.000 0.232 347 R C 2.305 178.593 176.300 -0.020 0.000 1.126 347 R CA 1.879 57.967 56.100 -0.020 0.000 0.963 347 R CB -0.215 30.075 30.300 -0.018 0.000 0.858 347 R HN 0.269 nan 8.270 nan 0.000 0.435 348 T N 0.630 115.172 114.554 -0.019 0.000 2.635 348 T HA -0.201 4.150 4.350 0.001 0.000 0.267 348 T C 1.828 176.514 174.700 -0.023 0.000 1.040 348 T CA 1.599 63.688 62.100 -0.019 0.000 1.156 348 T CB -0.419 68.439 68.868 -0.018 0.000 0.863 348 T HN 0.456 nan 8.240 nan 0.000 0.430 349 A N 1.486 124.290 122.820 -0.026 0.000 1.883 349 A HA 0.099 4.420 4.320 0.001 0.000 0.217 349 A C 2.671 180.233 177.584 -0.037 0.000 1.186 349 A CA 2.027 54.045 52.037 -0.032 0.000 0.624 349 A CB -1.202 17.777 19.000 -0.035 0.000 0.822 349 A HN 0.531 nan 8.150 nan 0.000 0.444 350 A N -0.276 122.523 122.820 -0.035 0.000 1.902 350 A HA -0.180 4.141 4.320 0.001 0.000 0.217 350 A C 2.256 179.823 177.584 -0.029 0.000 1.181 350 A CA 1.856 53.871 52.037 -0.036 0.000 0.623 350 A CB -0.512 18.471 19.000 -0.029 0.000 0.818 350 A HN 0.603 nan 8.150 nan 0.000 0.443 351 R N -0.014 120.473 120.500 -0.022 0.000 2.073 351 R HA -0.168 4.173 4.340 0.001 0.000 0.234 351 R C 1.979 178.268 176.300 -0.018 0.000 1.134 351 R CA 1.845 57.935 56.100 -0.016 0.000 0.952 351 R CB -0.346 29.946 30.300 -0.014 0.000 0.850 351 R HN 0.664 nan 8.270 nan 0.000 0.433 352 E N -0.172 120.014 120.200 -0.023 0.000 2.077 352 E HA -0.165 4.186 4.350 0.001 0.000 0.193 352 E C 1.995 178.577 176.600 -0.030 0.000 0.989 352 E CA 1.610 57.995 56.400 -0.025 0.000 0.800 352 E CB 0.034 29.718 29.700 -0.028 0.000 0.746 352 E HN 0.184 nan 8.360 nan 0.000 0.452 353 V N 1.139 121.031 119.914 -0.037 0.000 2.453 353 V HA -0.217 3.904 4.120 0.001 0.000 0.247 353 V C 2.390 178.465 176.094 -0.031 0.000 1.048 353 V CA 1.680 63.953 62.300 -0.046 0.000 1.049 353 V CB -0.490 31.291 31.823 -0.071 0.000 0.672 353 V HN 0.198 nan 8.190 nan 0.000 0.457 354 R N 0.205 120.692 120.500 -0.021 0.000 2.091 354 R HA -0.190 4.151 4.340 0.001 0.000 0.238 354 R C 2.311 178.615 176.300 0.006 0.000 1.136 354 R CA 1.755 57.855 56.100 -0.000 0.000 0.959 354 R CB -0.152 30.150 30.300 0.005 0.000 0.856 354 R HN 0.453 nan 8.270 nan 0.000 0.437 355 E N 0.572 120.770 120.200 -0.004 0.000 2.077 355 E HA -0.239 4.112 4.350 0.001 0.000 0.193 355 E C 1.756 178.353 176.600 -0.005 0.000 0.989 355 E CA 1.334 57.732 56.400 -0.003 0.000 0.800 355 E CB -0.233 29.462 29.700 -0.009 0.000 0.746 355 E HN 0.552 nan 8.360 nan 0.000 0.452 356 E N 0.331 120.521 120.200 -0.015 0.000 2.058 356 E HA -0.199 4.152 4.350 0.001 0.000 0.194 356 E C 2.058 178.656 176.600 -0.004 0.000 0.997 356 E CA 1.115 57.501 56.400 -0.024 0.000 0.801 356 E CB -0.066 29.607 29.700 -0.045 0.000 0.746 356 E HN 0.082 nan 8.360 nan 0.000 0.450 357 M N 1.341 120.951 119.600 0.016 0.000 2.099 357 M HA -0.124 4.356 4.480 0.001 0.000 0.262 357 M C 2.409 178.752 176.300 0.071 0.000 1.067 357 M CA 1.675 57.012 55.300 0.061 0.000 1.124 357 M CB -0.476 32.167 32.600 0.072 0.000 1.353 357 M HN 0.235 nan 8.290 nan 0.000 0.410 358 V N -1.075 118.870 119.914 0.051 0.000 2.970 358 V HA 0.052 4.172 4.120 0.001 0.000 0.260 358 V C 2.204 178.317 176.094 0.033 0.000 1.100 358 V CA 1.349 63.676 62.300 0.046 0.000 1.122 358 V CB -1.885 29.958 31.823 0.035 0.000 0.721 358 V HN 0.433 nan 8.190 nan 0.000 0.483 359 A N 0.351 123.184 122.820 0.022 0.000 2.167 359 A HA 0.357 4.678 4.320 0.001 0.000 0.214 359 A C 1.141 178.738 177.584 0.021 0.000 1.151 359 A CA 0.243 52.288 52.037 0.013 0.000 0.735 359 A CB -0.539 18.459 19.000 -0.002 0.000 0.802 359 A HN 0.627 nan 8.150 nan 0.000 0.467 360 L N 0.166 121.415 121.223 0.044 0.000 2.464 360 L HA 0.224 4.564 4.340 0.001 0.000 0.264 360 L C -2.224 174.686 176.870 0.066 0.000 1.199 360 L CA -2.010 52.873 54.840 0.072 0.000 0.818 360 L CB -0.047 42.092 42.059 0.133 0.000 1.102 360 L HN -0.007 nan 8.230 nan 0.000 0.473 361 P HA 0.009 nan 4.420 nan 0.000 0.266 361 P C -0.364 176.971 177.300 0.058 0.000 1.195 361 P CA -0.205 62.920 63.100 0.042 0.000 0.768 361 P CB 0.374 32.091 31.700 0.028 0.000 0.838 362 T N 1.288 115.863 114.554 0.036 0.000 2.748 362 T HA 0.126 4.477 4.350 0.001 0.000 0.304 362 T C -1.761 172.959 174.700 0.033 0.000 1.041 362 T CA -1.292 60.827 62.100 0.031 0.000 1.033 362 T CB -0.333 68.543 68.868 0.013 0.000 0.995 362 T HN 0.182 nan 8.240 nan 0.000 0.536 363 P HA -0.065 nan 4.420 nan 0.000 0.216 363 P C 1.689 178.982 177.300 -0.013 0.000 1.150 363 P CA 1.619 64.727 63.100 0.014 0.000 0.837 363 P CB -0.347 31.350 31.700 -0.005 0.000 0.786 364 A N -0.080 122.731 122.820 -0.014 0.000 1.877 364 A HA -0.241 4.080 4.320 0.001 0.000 0.216 364 A C 2.357 179.917 177.584 -0.040 0.000 1.186 364 A CA 2.037 54.053 52.037 -0.035 0.000 0.620 364 A CB -1.339 17.650 19.000 -0.019 0.000 0.822 364 A HN 0.134 nan 8.150 nan 0.000 0.443 365 E N -0.202 119.987 120.200 -0.018 0.000 2.150 365 E HA -0.103 4.248 4.350 0.001 0.000 0.193 365 E C 1.942 178.536 176.600 -0.010 0.000 0.985 365 E CA 1.930 58.320 56.400 -0.016 0.000 0.814 365 E CB -0.620 29.074 29.700 -0.010 0.000 0.752 365 E HN 0.510 nan 8.360 nan 0.000 0.466 366 T N -0.190 114.374 114.554 0.017 0.000 2.777 366 T HA -0.095 4.256 4.350 0.001 0.000 0.266 366 T C 1.883 176.617 174.700 0.057 0.000 1.040 366 T CA 1.259 63.411 62.100 0.086 0.000 1.141 366 T CB -0.332 68.626 68.868 0.151 0.000 0.868 366 T HN 0.013 nan 8.240 nan 0.000 0.444 367 V N 1.608 121.454 119.914 -0.113 0.000 2.282 367 V HA -0.219 3.902 4.120 0.001 0.000 0.249 367 V C 2.674 178.671 176.094 -0.162 0.000 1.057 367 V CA 1.783 63.851 62.300 -0.386 0.000 1.032 367 V CB -0.586 30.838 31.823 -0.666 0.000 0.645 367 V HN 0.369 nan 8.190 nan 0.000 0.447 368 R N -0.303 120.154 120.500 -0.073 0.000 2.096 368 R HA -0.153 4.187 4.340 0.001 0.000 0.235 368 R C 2.578 178.900 176.300 0.037 0.000 1.127 368 R CA 1.553 57.649 56.100 -0.006 0.000 0.968 368 R CB -0.185 30.110 30.300 -0.008 0.000 0.861 368 R HN 0.464 nan 8.270 nan 0.000 0.440 369 R N 0.003 120.528 120.500 0.042 0.000 2.091 369 R HA -0.120 4.220 4.340 0.001 0.000 0.238 369 R C 2.341 178.798 176.300 0.262 0.000 1.136 369 R CA 1.661 57.794 56.100 0.056 0.000 0.959 369 R CB -0.302 29.964 30.300 -0.057 0.000 0.856 369 R HN 0.295 nan 8.270 nan 0.000 0.437 370 I N -0.030 120.748 120.570 0.347 0.000 2.233 370 I HA -0.223 3.948 4.170 0.001 0.000 0.243 370 I C 2.302 178.561 176.117 0.237 0.000 1.093 370 I CA 0.883 62.406 61.300 0.372 0.000 1.380 370 I CB -0.226 37.979 38.000 0.342 0.000 1.067 370 I HN -0.045 nan 8.210 nan 0.000 0.413 371 V N 1.159 121.184 119.914 0.185 0.000 2.324 371 V HA -0.348 3.773 4.120 0.001 0.000 0.250 371 V C 2.527 178.687 176.094 0.109 0.000 1.060 371 V CA 2.387 64.767 62.300 0.135 0.000 1.042 371 V CB -0.712 31.187 31.823 0.127 0.000 0.650 371 V HN 0.548 nan 8.190 nan 0.000 0.450 372 E N 0.418 120.685 120.200 0.110 0.000 2.031 372 E HA -0.323 4.027 4.350 0.001 0.000 0.193 372 E C 2.358 179.023 176.600 0.108 0.000 0.994 372 E CA 1.707 58.161 56.400 0.090 0.000 0.800 372 E CB -0.193 29.546 29.700 0.064 0.000 0.752 372 E HN 0.399 nan 8.360 nan 0.000 0.447 373 R N 1.547 122.149 120.500 0.170 0.000 2.091 373 R HA -0.073 4.268 4.340 0.001 0.000 0.238 373 R C 1.424 177.790 176.300 0.109 0.000 1.136 373 R CA 1.744 57.957 56.100 0.189 0.000 0.959 373 R CB -0.779 29.725 30.300 0.340 0.000 0.856 373 R HN 0.462 nan 8.270 nan 0.000 0.437 374 I N 0.000 120.620 120.570 0.084 0.000 2.984 374 I HA 0.000 4.171 4.170 0.001 0.000 0.288 374 I CA 0.000 61.322 61.300 0.036 0.000 1.566 374 I CB 0.000 38.002 38.000 0.004 0.000 1.214 374 I HN 0.000 nan 8.210 nan 0.000 0.494