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 1wip_1_B DATA FIRST_RESID 1 DATA SEQUENCE KKVVLGKKGD TVELTCTASQ KKSIQFHWKN SNQIKILGNQ GSFLTKGPSK DATA SEQUENCE LNDRADSRRS LWDQGNFPLI IKNLKIEDSD TYICEVEDQK EEVQLLVFGL DATA SEQUENCE TANSDTHLLQ GQSLTLTLES PPGSSPSVQC RSPRGKNIQG GKTLSVSQLE DATA SEQUENCE LQDSGTWTCT VLQNQKKVEF KIDIVVLAFQ KASSIVYKKE GEQVEFSFPL DATA SEQUENCE AFTVEKLTGS GELWWQAERA SSSKSWITFD LKNKEVSVKR VTQDPKLQMG DATA SEQUENCE KKLPLHLTLP QALPQYAGSG NLTLALEAKT GKLHQEVNLV VMRATQLQKN DATA SEQUENCE LTCEVWGPTS PKLMLSLKLE NKEAKVSKRE KAVWVLNPEA GMWQCLLSDS DATA SEQUENCE GQVLLESNIK VLP VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 K HA 0.000 nan 4.320 nan 0.000 0.191 1 K C 0.000 176.638 176.600 0.063 0.000 0.988 1 K CA 0.000 56.321 56.287 0.057 0.000 0.838 1 K CB 0.000 32.540 32.500 0.067 0.000 1.064 2 K N 2.575 123.021 120.400 0.076 0.000 2.351 2 K HA 0.182 4.502 4.320 -0.000 0.000 0.287 2 K C -0.409 176.238 176.600 0.078 0.000 1.068 2 K CA -0.067 56.267 56.287 0.077 0.000 0.998 2 K CB 0.116 32.675 32.500 0.098 0.000 0.968 2 K HN 0.171 nan 8.250 nan 0.000 0.464 3 V N 2.924 122.877 119.914 0.064 0.000 2.284 3 V HA 0.222 4.342 4.120 -0.000 0.000 0.274 3 V C -0.118 176.010 176.094 0.057 0.000 1.023 3 V CA -1.092 61.247 62.300 0.066 0.000 0.808 3 V CB 0.704 32.568 31.823 0.069 0.000 1.035 3 V HN 0.352 nan 8.190 nan 0.000 0.445 4 V N 5.543 125.484 119.914 0.046 0.000 2.547 4 V HA 0.549 4.669 4.120 -0.000 0.000 0.299 4 V C 0.150 176.270 176.094 0.043 0.000 1.040 4 V CA -0.609 61.709 62.300 0.030 0.000 0.913 4 V CB 1.864 33.687 31.823 -0.001 0.000 0.992 4 V HN 0.663 nan 8.190 nan 0.000 0.449 5 L N 2.811 124.070 121.223 0.061 0.000 2.387 5 L HA 0.957 5.297 4.340 -0.000 0.000 0.266 5 L C 0.645 177.552 176.870 0.061 0.000 1.059 5 L CA -0.310 54.599 54.840 0.116 0.000 0.801 5 L CB 1.520 43.692 42.059 0.188 0.000 1.223 5 L HN 0.817 nan 8.230 nan 0.000 0.456 6 G N 0.183 109.037 108.800 0.090 0.000 2.690 6 G HA2 0.559 4.519 3.960 -0.000 0.000 0.291 6 G HA3 0.559 4.519 3.960 -0.000 0.000 0.291 6 G C -1.708 173.259 174.900 0.112 0.000 1.403 6 G CA -0.658 44.471 45.100 0.048 0.000 0.864 6 G HN 0.440 nan 8.290 nan 0.000 0.480 7 K N 0.594 121.052 120.400 0.095 0.000 2.156 7 K HA 0.367 4.687 4.320 -0.000 0.000 0.254 7 K C -0.064 176.629 176.600 0.155 0.000 0.950 7 K CA -0.858 55.552 56.287 0.205 0.000 0.849 7 K CB 2.595 35.201 32.500 0.177 0.000 1.100 7 K HN 0.477 nan 8.250 nan 0.000 0.434 8 K N 0.861 121.366 120.400 0.176 0.000 2.489 8 K HA -0.073 4.247 4.320 -0.000 0.000 0.278 8 K C 0.780 177.421 176.600 0.069 0.000 1.000 8 K CA 1.341 57.682 56.287 0.089 0.000 1.012 8 K CB 0.086 32.623 32.500 0.062 0.000 0.903 8 K HN 0.804 nan 8.250 nan 0.000 0.485 9 G N 3.160 111.984 108.800 0.039 0.000 2.322 9 G HA2 -0.336 3.624 3.960 -0.000 0.000 0.264 9 G HA3 -0.336 3.624 3.960 -0.000 0.000 0.264 9 G C 0.516 175.432 174.900 0.027 0.000 0.992 9 G CA 0.671 45.788 45.100 0.028 0.000 0.624 9 G HN 0.827 nan 8.290 nan 0.000 0.543 10 D N 0.339 120.763 120.400 0.039 0.000 2.025 10 D HA 0.466 5.106 4.640 -0.000 0.000 0.270 10 D C 1.175 177.479 176.300 0.007 0.000 1.135 10 D CA 1.627 55.645 54.000 0.029 0.000 0.978 10 D CB 0.401 41.226 40.800 0.041 0.000 1.178 10 D HN 0.713 nan 8.370 nan 0.000 0.487 11 T N -2.467 112.084 114.554 -0.006 0.000 2.739 11 T HA 0.560 4.910 4.350 -0.000 0.000 0.303 11 T C -1.193 173.484 174.700 -0.037 0.000 1.389 11 T CA -0.470 61.615 62.100 -0.024 0.000 1.001 11 T CB 0.827 69.681 68.868 -0.023 0.000 1.436 11 T HN 0.353 nan 8.240 nan 0.000 0.500 12 V N -1.194 118.684 119.914 -0.060 0.000 3.204 12 V HA 0.827 4.947 4.120 -0.000 0.000 0.298 12 V C -1.241 174.799 176.094 -0.091 0.000 1.328 12 V CA -1.041 61.216 62.300 -0.072 0.000 1.035 12 V CB 1.671 33.440 31.823 -0.091 0.000 1.095 12 V HN 1.244 nan 8.190 nan 0.000 0.442 13 E N 1.457 121.611 120.200 -0.076 0.000 2.199 13 E HA 0.625 4.975 4.350 -0.000 0.000 0.265 13 E C -1.982 174.577 176.600 -0.067 0.000 0.882 13 E CA -0.888 55.470 56.400 -0.070 0.000 0.759 13 E CB 2.001 31.684 29.700 -0.029 0.000 1.148 13 E HN 0.672 nan 8.360 nan 0.000 0.412 14 L N 4.025 125.186 121.223 -0.104 0.000 2.275 14 L HA 0.285 4.625 4.340 -0.000 0.000 0.288 14 L C 0.178 177.160 176.870 0.187 0.000 1.046 14 L CA -0.058 54.757 54.840 -0.042 0.000 0.805 14 L CB 1.386 43.236 42.059 -0.349 0.000 1.193 14 L HN 0.601 nan 8.230 nan 0.000 0.426 15 T N -0.286 114.385 114.554 0.195 0.000 2.828 15 T HA 0.486 4.836 4.350 -0.000 0.000 0.290 15 T C -0.118 174.749 174.700 0.278 0.000 1.019 15 T CA -0.675 61.540 62.100 0.192 0.000 1.031 15 T CB 1.213 70.143 68.868 0.103 0.000 1.001 15 T HN 0.785 nan 8.240 nan 0.000 0.531 16 C N 2.003 121.389 119.300 0.145 0.000 3.224 16 C HA 0.535 4.995 4.460 -0.000 0.000 0.433 16 C C -0.140 174.843 174.990 -0.011 0.000 0.960 16 C CA -0.180 58.867 59.018 0.048 0.000 1.253 16 C CB -0.295 27.428 27.740 -0.028 0.000 1.640 16 C HN 1.162 nan 8.230 nan 0.000 0.591 17 T N 2.764 117.306 114.554 -0.019 0.000 2.574 17 T HA 1.046 5.396 4.350 -0.000 0.000 0.224 17 T C 0.045 174.755 174.700 0.017 0.000 0.792 17 T CA 0.264 62.323 62.100 -0.069 0.000 1.317 17 T CB 0.939 69.744 68.868 -0.105 0.000 1.590 17 T HN 2.443 nan 8.240 nan 0.000 0.456 18 A N -0.131 122.687 122.820 -0.004 0.000 2.325 18 A HA 0.577 4.897 4.320 -0.000 0.000 0.293 18 A C -0.047 177.539 177.584 0.003 0.000 0.966 18 A CA -0.233 51.813 52.037 0.014 0.000 0.541 18 A CB -0.572 18.456 19.000 0.046 0.000 1.523 18 A HN 0.558 nan 8.150 nan 0.000 0.597 19 S N -0.594 115.109 115.700 0.006 0.000 2.393 19 S HA 0.408 4.878 4.470 -0.000 0.000 0.255 19 S C 1.365 175.972 174.600 0.011 0.000 1.210 19 S CA 1.136 59.336 58.200 0.000 0.000 1.013 19 S CB -0.020 63.179 63.200 -0.002 0.000 1.055 19 S HN 2.043 nan 8.310 nan 0.000 0.483 20 Q N 0.682 120.487 119.800 0.009 0.000 2.087 20 Q HA -0.400 3.940 4.340 -0.000 0.000 0.153 20 Q C 0.587 176.601 176.000 0.022 0.000 0.706 20 Q CA 2.428 58.242 55.803 0.017 0.000 1.467 20 Q CB -2.148 26.604 28.738 0.022 0.000 1.557 20 Q HN 0.847 nan 8.270 nan 0.000 0.862 21 K N 1.930 122.338 120.400 0.013 0.000 2.947 21 K HA -0.257 4.063 4.320 -0.000 0.000 0.279 21 K C 0.187 176.788 176.600 0.002 0.000 1.052 21 K CA 2.177 58.453 56.287 -0.019 0.000 0.838 21 K CB -0.548 31.930 32.500 -0.036 0.000 1.230 21 K HN 0.797 nan 8.250 nan 0.000 0.436 22 K N -0.239 120.196 120.400 0.057 0.000 2.090 22 K HA 0.202 4.522 4.320 -0.000 0.000 0.249 22 K C -0.283 176.414 176.600 0.162 0.000 0.995 22 K CA -0.502 55.831 56.287 0.076 0.000 0.914 22 K CB 1.142 33.675 32.500 0.055 0.000 1.057 22 K HN -0.094 nan 8.250 nan 0.000 0.462 23 S N 1.764 117.559 115.700 0.159 0.000 2.643 23 S HA 0.085 4.555 4.470 -0.000 0.000 0.329 23 S C 0.322 175.003 174.600 0.135 0.000 1.193 23 S CA -0.386 57.951 58.200 0.228 0.000 1.293 23 S CB -1.277 62.041 63.200 0.195 0.000 1.205 23 S HN 0.498 nan 8.310 nan 0.000 0.550 24 I N 1.304 121.949 120.570 0.124 0.000 3.067 24 I HA 0.583 4.753 4.170 -0.000 0.000 0.312 24 I C -0.067 175.836 176.117 -0.356 0.000 1.073 24 I CA -1.560 59.672 61.300 -0.112 0.000 1.016 24 I CB 1.367 39.313 38.000 -0.091 0.000 1.227 24 I HN 0.261 nan 8.210 nan 0.000 0.456 25 Q N 2.073 121.673 119.800 -0.334 0.000 2.392 25 Q HA 0.434 4.774 4.340 -0.000 0.000 0.262 25 Q C -1.386 174.281 176.000 -0.555 0.000 1.003 25 Q CA 0.108 55.658 55.803 -0.422 0.000 0.888 25 Q CB 0.749 29.298 28.738 -0.315 0.000 1.260 25 Q HN 0.591 nan 8.270 nan 0.000 0.435 26 F N 0.163 119.654 119.950 -0.766 0.000 2.713 26 F HA 0.596 5.123 4.527 -0.000 0.000 0.311 26 F C -1.741 173.732 175.800 -0.546 0.000 1.141 26 F CA -0.999 56.500 58.000 -0.835 0.000 0.939 26 F CB 1.309 39.676 39.000 -1.054 0.000 1.325 26 F HN 0.697 nan 8.300 nan 0.000 0.453 27 H N -1.205 117.705 119.070 -0.266 0.000 3.154 27 H HA 0.229 4.785 4.556 -0.000 0.000 0.330 27 H C -2.536 172.793 175.328 0.002 0.000 1.033 27 H CA -1.186 54.752 56.048 -0.184 0.000 1.393 27 H CB 0.579 30.232 29.762 -0.181 0.000 1.951 27 H HN 0.881 nan 8.280 nan 0.000 0.466 28 W N 4.614 126.078 121.300 0.273 0.000 2.358 28 W HA 0.313 4.973 4.660 -0.000 0.000 0.307 28 W C -0.231 176.399 176.519 0.185 0.000 1.203 28 W CA -0.463 57.039 57.345 0.261 0.000 1.279 28 W CB 1.275 30.912 29.460 0.295 0.000 1.264 28 W HN 0.512 nan 8.180 nan 0.000 0.474 29 K N 2.662 123.320 120.400 0.431 0.000 2.375 29 K HA 0.499 4.819 4.320 -0.000 0.000 0.249 29 K C -0.304 176.393 176.600 0.161 0.000 0.942 29 K CA -1.200 55.215 56.287 0.212 0.000 0.806 29 K CB 1.314 33.866 32.500 0.087 0.000 1.227 29 K HN 0.332 nan 8.250 nan 0.000 0.430 30 N N -0.254 118.433 118.700 -0.021 0.000 2.413 30 N HA -0.019 4.721 4.740 -0.000 0.000 0.266 30 N C 0.625 176.079 175.510 -0.093 0.000 1.238 30 N CA -0.434 52.490 53.050 -0.209 0.000 0.972 30 N CB 0.694 38.923 38.487 -0.430 0.000 1.210 30 N HN 0.702 nan 8.380 nan 0.000 0.547 31 S N -0.905 114.733 115.700 -0.103 0.000 2.488 31 S HA -0.198 4.272 4.470 -0.000 0.000 0.246 31 S C 0.371 174.945 174.600 -0.044 0.000 0.992 31 S CA 0.994 59.169 58.200 -0.043 0.000 0.963 31 S CB -1.075 62.103 63.200 -0.036 0.000 0.754 31 S HN 0.700 nan 8.310 nan 0.000 0.519 32 N N 1.156 119.817 118.700 -0.065 0.000 2.313 32 N HA 0.152 4.892 4.740 -0.000 0.000 0.207 32 N C -0.359 175.127 175.510 -0.040 0.000 1.141 32 N CA -0.016 53.004 53.050 -0.050 0.000 0.830 32 N CB 0.108 38.559 38.487 -0.059 0.000 1.008 32 N HN 0.049 nan 8.380 nan 0.000 0.481 33 Q N -0.514 119.267 119.800 -0.033 0.000 2.480 33 Q HA -0.199 4.141 4.340 -0.000 0.000 0.265 33 Q C -0.562 175.416 176.000 -0.036 0.000 1.072 33 Q CA 0.965 56.750 55.803 -0.030 0.000 1.018 33 Q CB -2.083 26.636 28.738 -0.032 0.000 1.433 33 Q HN 0.575 nan 8.270 nan 0.000 0.513 34 I N 0.928 121.479 120.570 -0.032 0.000 2.385 34 I HA 0.145 4.315 4.170 -0.000 0.000 0.294 34 I C 0.694 176.813 176.117 0.004 0.000 0.988 34 I CA -0.510 60.775 61.300 -0.024 0.000 1.265 34 I CB 1.053 39.037 38.000 -0.027 0.000 1.388 34 I HN -0.183 nan 8.210 nan 0.000 0.480 35 K N 6.684 127.087 120.400 0.004 0.000 2.292 35 K HA 0.264 4.584 4.320 -0.000 0.000 0.290 35 K C 0.762 177.417 176.600 0.092 0.000 1.083 35 K CA -0.335 55.978 56.287 0.043 0.000 0.918 35 K CB 0.961 33.452 32.500 -0.015 0.000 1.089 35 K HN 0.521 nan 8.250 nan 0.000 0.473 36 I N 2.499 123.169 120.570 0.166 0.000 2.076 36 I HA -0.226 3.944 4.170 -0.000 0.000 0.237 36 I C 0.968 177.190 176.117 0.175 0.000 1.059 36 I CA 1.640 63.047 61.300 0.178 0.000 1.317 36 I CB -0.803 37.350 38.000 0.254 0.000 1.037 36 I HN 0.519 nan 8.210 nan 0.000 0.398 37 L N -2.474 118.897 121.223 0.247 0.000 2.622 37 L HA 0.898 5.238 4.340 -0.000 0.000 0.258 37 L C -0.703 176.279 176.870 0.186 0.000 0.996 37 L CA -0.393 54.580 54.840 0.222 0.000 0.858 37 L CB 1.546 43.773 42.059 0.280 0.000 1.449 37 L HN 0.075 nan 8.230 nan 0.000 0.411 38 G N 0.283 109.108 108.800 0.042 0.000 2.870 38 G HA2 0.698 4.658 3.960 -0.000 0.000 0.299 38 G HA3 0.698 4.658 3.960 -0.000 0.000 0.299 38 G C -1.794 172.906 174.900 -0.334 0.000 1.324 38 G CA -0.310 44.624 45.100 -0.276 0.000 0.808 38 G HN 1.089 nan 8.290 nan 0.000 0.535 39 N N -2.990 115.365 118.700 -0.576 0.000 2.509 39 N HA 0.701 5.441 4.740 -0.000 0.000 0.280 39 N C -0.820 174.559 175.510 -0.218 0.000 1.306 39 N CA -0.206 52.631 53.050 -0.354 0.000 0.782 39 N CB 1.521 39.569 38.487 -0.731 0.000 1.493 39 N HN 1.254 nan 8.380 nan 0.000 0.498 40 Q N -0.623 119.123 119.800 -0.089 0.000 4.056 40 Q HA 0.579 4.919 4.340 -0.000 0.000 0.163 40 Q C 0.500 176.405 176.000 -0.158 0.000 0.865 40 Q CA 0.016 55.751 55.803 -0.114 0.000 0.779 40 Q CB -0.673 28.025 28.738 -0.067 0.000 1.500 40 Q HN 1.895 nan 8.270 nan 0.000 0.462 41 G N 0.402 109.132 108.800 -0.117 0.000 2.512 41 G HA2 -0.092 3.868 3.960 -0.000 0.000 0.240 41 G HA3 -0.092 3.868 3.960 -0.000 0.000 0.240 41 G C 1.483 176.507 174.900 0.208 0.000 1.246 41 G CA 0.876 45.924 45.100 -0.087 0.000 0.919 41 G HN 2.003 nan 8.290 nan 0.000 0.577 42 S N -0.430 115.430 115.700 0.267 0.000 2.447 42 S HA 0.171 4.641 4.470 -0.000 0.000 0.233 42 S C 1.023 176.029 174.600 0.676 0.000 1.006 42 S CA 1.338 59.848 58.200 0.517 0.000 0.957 42 S CB -0.105 63.345 63.200 0.417 0.000 0.773 42 S HN 0.838 nan 8.310 nan 0.000 0.507 43 F N 2.986 123.085 119.950 0.249 0.000 2.506 43 F HA 0.457 4.984 4.527 -0.000 0.000 0.369 43 F C 0.257 176.229 175.800 0.286 0.000 1.114 43 F CA -2.362 55.755 58.000 0.195 0.000 1.121 43 F CB -0.782 38.290 39.000 0.121 0.000 1.104 43 F HN 0.125 nan 8.300 nan 0.000 0.564 44 L N 4.840 126.343 121.223 0.468 0.000 2.349 44 L HA 0.557 4.897 4.340 -0.000 0.000 0.275 44 L C 0.294 177.340 176.870 0.294 0.000 1.115 44 L CA 0.129 55.265 54.840 0.494 0.000 0.820 44 L CB 0.979 43.248 42.059 0.350 0.000 1.135 44 L HN 0.699 nan 8.230 nan 0.000 0.445 45 T N 1.660 116.365 114.554 0.253 0.000 2.916 45 T HA 0.742 5.092 4.350 -0.000 0.000 0.292 45 T C -0.457 174.330 174.700 0.146 0.000 1.064 45 T CA -0.874 61.321 62.100 0.157 0.000 1.011 45 T CB 1.992 70.924 68.868 0.108 0.000 1.152 45 T HN 0.697 nan 8.240 nan 0.000 0.510 46 K N -0.920 119.545 120.400 0.109 0.000 2.263 46 K HA 0.794 5.114 4.320 -0.000 0.000 0.249 46 K C -0.138 176.506 176.600 0.073 0.000 1.076 46 K CA -0.580 55.770 56.287 0.104 0.000 0.884 46 K CB 1.888 34.442 32.500 0.091 0.000 1.394 46 K HN 1.018 nan 8.250 nan 0.000 0.476 47 G N -0.109 108.732 108.800 0.068 0.000 2.644 47 G HA2 0.364 4.324 3.960 -0.000 0.000 0.307 47 G HA3 0.364 4.324 3.960 -0.000 0.000 0.307 47 G C -2.089 172.830 174.900 0.033 0.000 1.250 47 G CA -1.353 43.773 45.100 0.044 0.000 0.996 47 G HN 0.482 nan 8.290 nan 0.000 0.489 48 P HA -0.042 nan 4.420 nan 0.000 0.223 48 P C 1.140 178.447 177.300 0.011 0.000 1.151 48 P CA 0.612 63.719 63.100 0.012 0.000 0.787 48 P CB -0.059 31.644 31.700 0.004 0.000 0.788 49 S N 0.409 116.117 115.700 0.013 0.000 2.553 49 S HA -0.052 4.418 4.470 -0.000 0.000 0.293 49 S C 1.281 175.889 174.600 0.013 0.000 1.296 49 S CA -0.095 58.111 58.200 0.009 0.000 1.046 49 S CB 0.404 63.613 63.200 0.014 0.000 0.810 49 S HN 0.069 nan 8.310 nan 0.000 0.505 50 K N 0.572 120.975 120.400 0.006 0.000 2.218 50 K HA -0.124 4.195 4.320 -0.000 0.000 0.205 50 K C 1.697 178.308 176.600 0.020 0.000 1.046 50 K CA 1.120 57.412 56.287 0.009 0.000 0.933 50 K CB -0.415 32.087 32.500 0.003 0.000 0.728 50 K HN 0.478 nan 8.250 nan 0.000 0.454 51 L N 1.886 123.127 121.223 0.030 0.000 2.201 51 L HA -0.165 4.175 4.340 -0.000 0.000 0.212 51 L C 1.533 178.429 176.870 0.043 0.000 1.105 51 L CA 1.162 56.031 54.840 0.047 0.000 0.775 51 L CB -0.966 41.143 42.059 0.084 0.000 0.913 51 L HN 0.300 nan 8.230 nan 0.000 0.440 52 N N 1.058 119.783 118.700 0.042 0.000 0.937 52 N HA -0.333 4.407 4.740 -0.000 0.000 0.158 52 N C 0.463 175.997 175.510 0.041 0.000 0.279 52 N CA 2.534 55.609 53.050 0.042 0.000 0.922 52 N CB -0.608 37.898 38.487 0.031 0.000 1.720 52 N HN 0.489 nan 8.380 nan 0.000 0.551 53 D N 0.280 120.699 120.400 0.031 0.000 2.488 53 D HA -0.026 4.614 4.640 -0.000 0.000 0.260 53 D C 1.157 177.469 176.300 0.021 0.000 1.273 53 D CA 0.612 54.627 54.000 0.026 0.000 0.912 53 D CB -0.497 40.314 40.800 0.019 0.000 0.982 53 D HN 0.363 nan 8.370 nan 0.000 0.492 54 R N -0.946 119.567 120.500 0.022 0.000 2.539 54 R HA 0.407 4.747 4.340 -0.000 0.000 0.342 54 R C -0.420 175.885 176.300 0.008 0.000 0.941 54 R CA -0.131 55.976 56.100 0.013 0.000 1.146 54 R CB 0.972 31.279 30.300 0.010 0.000 1.541 54 R HN 0.201 nan 8.270 nan 0.000 0.525 55 A N 0.489 123.323 122.820 0.022 0.000 2.311 55 A HA 0.600 4.920 4.320 -0.000 0.000 0.334 55 A C -1.242 176.368 177.584 0.044 0.000 1.139 55 A CA -0.334 51.714 52.037 0.017 0.000 0.830 55 A CB 1.479 20.500 19.000 0.035 0.000 1.234 55 A HN 0.221 nan 8.150 nan 0.000 0.483 56 D N -1.157 119.274 120.400 0.051 0.000 2.663 56 D HA 0.512 5.152 4.640 -0.000 0.000 0.233 56 D C -1.215 175.163 176.300 0.129 0.000 1.240 56 D CA -0.012 54.038 54.000 0.083 0.000 0.774 56 D CB 1.776 42.596 40.800 0.032 0.000 1.443 56 D HN 0.578 nan 8.370 nan 0.000 0.441 57 S N 0.816 116.627 115.700 0.185 0.000 2.542 57 S HA 0.554 5.024 4.470 -0.000 0.000 0.293 57 S C -1.124 173.469 174.600 -0.012 0.000 1.089 57 S CA -0.776 57.585 58.200 0.267 0.000 0.961 57 S CB 1.052 64.688 63.200 0.726 0.000 1.062 57 S HN 0.380 nan 8.310 nan 0.000 0.483 58 R N 3.228 123.689 120.500 -0.065 0.000 2.248 58 R HA 0.272 4.612 4.340 -0.000 0.000 0.337 58 R C 1.119 177.056 176.300 -0.605 0.000 1.106 58 R CA -0.313 55.642 56.100 -0.241 0.000 0.959 58 R CB 0.407 30.645 30.300 -0.104 0.000 1.075 58 R HN 0.629 nan 8.270 nan 0.000 0.480 59 R N 0.731 120.686 120.500 -0.908 0.000 2.105 59 R HA -0.193 4.147 4.340 -0.000 0.000 0.239 59 R C 2.185 178.295 176.300 -0.317 0.000 1.135 59 R CA 2.149 57.570 56.100 -1.131 0.000 0.967 59 R CB -0.130 29.676 30.300 -0.823 0.000 0.861 59 R HN 0.617 nan 8.270 nan 0.000 0.442 60 S N 1.339 116.921 115.700 -0.197 0.000 2.343 60 S HA -0.142 4.328 4.470 -0.000 0.000 0.219 60 S C 1.950 176.543 174.600 -0.011 0.000 1.033 60 S CA 0.975 59.139 58.200 -0.060 0.000 1.014 60 S CB -0.665 62.499 63.200 -0.060 0.000 0.915 60 S HN 0.240 nan 8.310 nan 0.000 0.435 61 L N -0.480 120.719 121.223 -0.040 0.000 2.651 61 L HA -0.072 4.268 4.340 -0.000 0.000 0.236 61 L C 2.301 179.198 176.870 0.046 0.000 1.173 61 L CA 0.584 55.415 54.840 -0.014 0.000 0.843 61 L CB -0.514 41.528 42.059 -0.028 0.000 0.964 61 L HN 0.420 nan 8.230 nan 0.000 0.454 62 W N 0.208 121.451 121.300 -0.094 0.000 2.379 62 W HA -0.163 4.497 4.660 -0.000 0.000 0.307 62 W C 2.399 178.841 176.519 -0.129 0.000 1.200 62 W CA 0.408 57.688 57.345 -0.109 0.000 1.297 62 W CB -0.764 28.774 29.460 0.130 0.000 1.140 62 W HN 0.209 nan 8.180 nan 0.000 0.507 63 D N -0.287 120.237 120.400 0.207 0.000 2.158 63 D HA -0.186 4.454 4.640 -0.000 0.000 0.197 63 D C 1.161 177.464 176.300 0.005 0.000 0.995 63 D CA 1.325 55.391 54.000 0.109 0.000 0.846 63 D CB -0.156 40.700 40.800 0.093 0.000 0.941 63 D HN 0.310 nan 8.370 nan 0.000 0.456 64 Q N -0.945 118.824 119.800 -0.051 0.000 2.253 64 Q HA 0.221 4.561 4.340 -0.000 0.000 0.210 64 Q C 1.120 176.999 176.000 -0.202 0.000 0.907 64 Q CA 0.262 56.008 55.803 -0.096 0.000 0.948 64 Q CB 0.647 29.341 28.738 -0.074 0.000 1.033 64 Q HN 0.354 nan 8.270 nan 0.000 0.471 65 G N 0.753 109.339 108.800 -0.357 0.000 2.336 65 G HA2 -0.294 3.666 3.960 -0.000 0.000 0.233 65 G HA3 -0.294 3.666 3.960 -0.000 0.000 0.233 65 G C 0.069 174.297 174.900 -1.119 0.000 1.053 65 G CA -0.097 44.645 45.100 -0.598 0.000 0.625 65 G HN 0.460 nan 8.290 nan 0.000 0.511 66 N N 0.288 118.562 118.700 -0.711 0.000 2.513 66 N HA 0.538 5.278 4.740 -0.000 0.000 0.268 66 N C -0.675 174.366 175.510 -0.782 0.000 1.180 66 N CA 0.246 52.942 53.050 -0.591 0.000 0.948 66 N CB 0.261 38.621 38.487 -0.211 0.000 1.083 66 N HN 0.162 nan 8.380 nan 0.000 0.455 67 F N 1.474 121.274 119.950 -0.250 0.000 2.564 67 F HA 0.317 4.844 4.527 -0.000 0.000 0.329 67 F C -2.174 173.563 175.800 -0.106 0.000 1.458 67 F CA -2.096 55.501 58.000 -0.672 0.000 1.117 67 F CB 0.475 38.513 39.000 -1.603 0.000 1.383 67 F HN 0.273 nan 8.300 nan 0.000 0.571 68 P HA 0.129 nan 4.420 nan 0.000 0.272 68 P C -0.724 176.839 177.300 0.437 0.000 1.223 68 P CA -0.189 63.117 63.100 0.345 0.000 0.784 68 P CB 2.478 34.278 31.700 0.167 0.000 0.923 69 L N 4.027 125.385 121.223 0.226 0.000 2.316 69 L HA 0.486 4.826 4.340 -0.000 0.000 0.280 69 L C -0.627 176.138 176.870 -0.174 0.000 1.006 69 L CA -0.620 54.124 54.840 -0.160 0.000 0.836 69 L CB 0.340 41.745 42.059 -1.091 0.000 1.221 69 L HN 0.291 nan 8.230 nan 0.000 0.418 70 I N 6.026 126.548 120.570 -0.080 0.000 2.339 70 I HA 0.405 4.575 4.170 -0.000 0.000 0.290 70 I C -0.697 175.366 176.117 -0.090 0.000 0.994 70 I CA -0.415 60.839 61.300 -0.077 0.000 1.191 70 I CB 1.183 39.167 38.000 -0.027 0.000 1.343 70 I HN 0.555 nan 8.210 nan 0.000 0.458 71 I N 8.009 128.510 120.570 -0.115 0.000 2.355 71 I HA 0.290 4.460 4.170 -0.000 0.000 0.288 71 I C 0.153 176.237 176.117 -0.056 0.000 0.999 71 I CA -0.608 60.637 61.300 -0.092 0.000 1.163 71 I CB 1.221 39.143 38.000 -0.131 0.000 1.316 71 I HN 0.538 nan 8.210 nan 0.000 0.454 72 K N 3.690 124.071 120.400 -0.031 0.000 2.863 72 K HA 0.271 4.591 4.320 -0.000 0.000 0.304 72 K C 0.122 176.714 176.600 -0.012 0.000 1.015 72 K CA -0.714 55.562 56.287 -0.019 0.000 1.093 72 K CB 0.031 32.525 32.500 -0.010 0.000 1.345 72 K HN 0.410 nan 8.250 nan 0.000 0.500 73 N N 1.535 120.233 118.700 -0.003 0.000 3.107 73 N HA -0.197 4.543 4.740 -0.000 0.000 0.302 73 N C -0.936 174.576 175.510 0.003 0.000 1.099 73 N CA 0.072 53.123 53.050 0.002 0.000 0.861 73 N CB -0.968 37.521 38.487 0.003 0.000 0.926 73 N HN 0.279 nan 8.380 nan 0.000 0.630 74 L N 0.977 122.202 121.223 0.003 0.000 2.745 74 L HA -0.077 4.263 4.340 -0.000 0.000 0.273 74 L C 0.999 177.875 176.870 0.009 0.000 1.156 74 L CA 0.603 55.446 54.840 0.004 0.000 0.982 74 L CB 0.043 42.106 42.059 0.006 0.000 1.295 74 L HN 0.372 nan 8.230 nan 0.000 0.483 75 K N 2.926 123.330 120.400 0.008 0.000 2.276 75 K HA 0.128 4.448 4.320 -0.000 0.000 0.283 75 K C 1.104 177.704 176.600 0.000 0.000 1.044 75 K CA -0.629 55.661 56.287 0.005 0.000 0.944 75 K CB 1.215 33.720 32.500 0.007 0.000 1.012 75 K HN 0.358 nan 8.250 nan 0.000 0.472 76 I N 2.642 123.207 120.570 -0.008 0.000 2.236 76 I HA -0.336 3.834 4.170 -0.000 0.000 0.249 76 I C 1.574 177.674 176.117 -0.030 0.000 1.102 76 I CA 1.566 62.851 61.300 -0.026 0.000 1.365 76 I CB -0.531 37.452 38.000 -0.029 0.000 1.051 76 I HN 0.672 nan 8.210 nan 0.000 0.420 77 E N 0.342 120.533 120.200 -0.015 0.000 2.335 77 E HA -0.082 4.268 4.350 -0.000 0.000 0.191 77 E C 0.164 176.769 176.600 0.007 0.000 1.150 77 E CA 0.340 56.733 56.400 -0.011 0.000 1.001 77 E CB -0.382 29.312 29.700 -0.011 0.000 1.127 77 E HN 0.503 nan 8.360 nan 0.000 0.462 78 D N 0.806 121.220 120.400 0.024 0.000 2.367 78 D HA 0.009 4.649 4.640 -0.000 0.000 0.207 78 D C -0.009 176.371 176.300 0.132 0.000 1.034 78 D CA 0.170 54.223 54.000 0.088 0.000 0.861 78 D CB 0.334 41.181 40.800 0.079 0.000 0.943 78 D HN -0.028 nan 8.370 nan 0.000 0.515 79 S N 1.935 117.664 115.700 0.047 0.000 2.611 79 S HA 0.086 4.556 4.470 -0.000 0.000 0.317 79 S C -0.053 174.586 174.600 0.065 0.000 1.208 79 S CA 0.425 58.649 58.200 0.039 0.000 1.217 79 S CB 0.293 63.462 63.200 -0.050 0.000 1.085 79 S HN 0.161 nan 8.310 nan 0.000 0.529 80 D N 0.722 121.224 120.400 0.169 0.000 2.677 80 D HA 0.335 4.975 4.640 -0.000 0.000 0.298 80 D C -1.091 175.320 176.300 0.185 0.000 1.250 80 D CA -0.443 53.594 54.000 0.063 0.000 0.888 80 D CB 1.785 42.461 40.800 -0.207 0.000 1.397 80 D HN 0.236 nan 8.370 nan 0.000 0.461 81 T N 1.669 116.269 114.554 0.076 0.000 2.801 81 T HA 0.414 4.764 4.350 -0.000 0.000 0.306 81 T C -0.645 174.148 174.700 0.156 0.000 1.020 81 T CA -0.314 61.889 62.100 0.171 0.000 0.948 81 T CB -0.303 68.622 68.868 0.095 0.000 0.962 81 T HN 0.095 nan 8.240 nan 0.000 0.465 82 Y N 2.225 122.603 120.300 0.129 0.000 2.354 82 Y HA 0.646 5.196 4.550 -0.000 0.000 0.322 82 Y C 0.560 176.666 175.900 0.344 0.000 1.253 82 Y CA -1.681 56.553 58.100 0.224 0.000 1.272 82 Y CB 0.695 39.256 38.460 0.169 0.000 1.255 82 Y HN 0.445 nan 8.280 nan 0.000 0.500 83 I N 1.242 122.135 120.570 0.538 0.000 2.545 83 I HA 0.306 4.476 4.170 -0.000 0.000 0.292 83 I C -1.140 175.117 176.117 0.234 0.000 1.040 83 I CA -0.648 60.853 61.300 0.335 0.000 1.068 83 I CB 1.979 40.086 38.000 0.178 0.000 1.251 83 I HN 0.494 nan 8.210 nan 0.000 0.424 84 C N 5.233 124.415 119.300 -0.196 0.000 2.250 84 C HA 0.287 4.747 4.460 -0.000 0.000 0.319 84 C C 0.277 175.069 174.990 -0.330 0.000 1.124 84 C CA -0.404 58.180 59.018 -0.724 0.000 1.527 84 C CB -0.607 26.199 27.740 -1.557 0.000 2.001 84 C HN 0.699 nan 8.230 nan 0.000 0.435 85 E N 3.561 123.663 120.200 -0.163 0.000 2.003 85 E HA 0.324 4.674 4.350 -0.000 0.000 0.279 85 E C -0.325 176.059 176.600 -0.359 0.000 1.132 85 E CA -0.020 56.300 56.400 -0.133 0.000 0.888 85 E CB 0.780 30.554 29.700 0.123 0.000 1.056 85 E HN 0.549 nan 8.360 nan 0.000 0.399 86 V N 2.487 122.233 119.914 -0.281 0.000 3.093 86 V HA 0.035 4.155 4.120 -0.000 0.000 0.320 86 V C 1.250 177.210 176.094 -0.224 0.000 1.093 86 V CA -0.726 61.392 62.300 -0.304 0.000 1.016 86 V CB 1.673 33.376 31.823 -0.199 0.000 1.096 86 V HN 0.620 nan 8.190 nan 0.000 0.452 87 E N 1.203 121.273 120.200 -0.217 0.000 2.659 87 E HA -0.270 4.080 4.350 -0.000 0.000 0.272 87 E C 0.138 176.682 176.600 -0.094 0.000 1.307 87 E CA 1.862 58.176 56.400 -0.144 0.000 0.964 87 E CB -0.460 29.180 29.700 -0.101 0.000 0.813 87 E HN 0.763 nan 8.360 nan 0.000 0.488 88 D N -1.580 118.769 120.400 -0.085 0.000 4.437 88 D HA -0.044 4.596 4.640 -0.000 0.000 0.097 88 D C -0.627 175.647 176.300 -0.043 0.000 0.398 88 D CA 0.408 54.376 54.000 -0.053 0.000 0.575 88 D CB -1.079 39.697 40.800 -0.040 0.000 1.641 88 D HN 0.364 nan 8.370 nan 0.000 0.033 89 Q N 0.160 119.928 119.800 -0.052 0.000 2.633 89 Q HA 0.411 4.751 4.340 -0.000 0.000 0.289 89 Q C -1.656 174.318 176.000 -0.043 0.000 0.940 89 Q CA -0.593 55.187 55.803 -0.037 0.000 0.785 89 Q CB 1.884 30.603 28.738 -0.032 0.000 1.467 89 Q HN -0.089 nan 8.270 nan 0.000 0.401 90 K N 1.619 122.006 120.400 -0.023 0.000 2.345 90 K HA 0.426 4.746 4.320 -0.000 0.000 0.255 90 K C -1.227 175.371 176.600 -0.004 0.000 0.934 90 K CA -0.809 55.468 56.287 -0.015 0.000 0.801 90 K CB 1.904 34.411 32.500 0.011 0.000 1.137 90 K HN 0.364 nan 8.250 nan 0.000 0.424 91 E N 2.529 122.722 120.200 -0.012 0.000 2.092 91 E HA 0.131 4.481 4.350 -0.000 0.000 0.271 91 E C -0.951 175.711 176.600 0.104 0.000 0.919 91 E CA -0.344 56.072 56.400 0.026 0.000 0.760 91 E CB 1.718 31.410 29.700 -0.013 0.000 1.106 91 E HN 0.472 nan 8.360 nan 0.000 0.408 92 E N 1.855 122.123 120.200 0.113 0.000 2.200 92 E HA 0.319 4.669 4.350 -0.000 0.000 0.283 92 E C -0.924 175.784 176.600 0.180 0.000 1.015 92 E CA -0.464 56.026 56.400 0.149 0.000 0.819 92 E CB 1.364 31.127 29.700 0.104 0.000 1.081 92 E HN 0.114 nan 8.360 nan 0.000 0.397 93 V N 4.133 124.197 119.914 0.250 0.000 2.525 93 V HA 0.205 4.325 4.120 -0.000 0.000 0.299 93 V C -0.495 175.734 176.094 0.223 0.000 1.034 93 V CA -0.876 61.557 62.300 0.221 0.000 0.863 93 V CB 1.599 33.575 31.823 0.253 0.000 0.999 93 V HN 0.642 nan 8.190 nan 0.000 0.423 94 Q N 3.577 123.470 119.800 0.154 0.000 2.340 94 Q HA 0.598 4.938 4.340 -0.000 0.000 0.259 94 Q C -1.406 174.654 176.000 0.099 0.000 0.964 94 Q CA -0.797 55.096 55.803 0.150 0.000 0.900 94 Q CB 1.802 30.605 28.738 0.108 0.000 1.228 94 Q HN 0.714 nan 8.270 nan 0.000 0.449 95 L N 6.238 127.521 121.223 0.100 0.000 2.264 95 L HA 0.403 4.743 4.340 -0.000 0.000 0.287 95 L C -1.583 175.296 176.870 0.015 0.000 1.039 95 L CA -0.094 54.754 54.840 0.014 0.000 0.829 95 L CB 0.798 42.797 42.059 -0.099 0.000 1.211 95 L HN 0.637 nan 8.230 nan 0.000 0.427 96 L N 6.455 127.673 121.223 -0.008 0.000 2.276 96 L HA 0.521 4.861 4.340 -0.000 0.000 0.286 96 L C -0.057 176.683 176.870 -0.216 0.000 1.024 96 L CA -0.863 53.905 54.840 -0.121 0.000 0.826 96 L CB 1.348 43.356 42.059 -0.086 0.000 1.211 96 L HN 0.335 nan 8.230 nan 0.000 0.422 97 V N 1.649 121.395 119.914 -0.280 0.000 3.441 97 V HA 0.500 4.620 4.120 -0.000 0.000 0.300 97 V C -0.249 175.534 176.094 -0.518 0.000 1.062 97 V CA -0.381 61.804 62.300 -0.192 0.000 1.064 97 V CB 1.175 32.950 31.823 -0.080 0.000 1.197 97 V HN 0.434 nan 8.190 nan 0.000 0.451 98 F N -1.499 118.542 119.950 0.151 0.000 2.741 98 F HA 0.734 5.261 4.527 -0.000 0.000 0.313 98 F C 0.256 176.178 175.800 0.204 0.000 1.153 98 F CA -0.329 57.787 58.000 0.194 0.000 0.931 98 F CB 2.184 41.365 39.000 0.301 0.000 1.335 98 F HN 0.695 nan 8.300 nan 0.000 0.460 99 G N 1.958 110.891 108.800 0.222 0.000 2.965 99 G HA2 0.459 4.419 3.960 -0.000 0.000 0.301 99 G HA3 0.459 4.419 3.960 -0.000 0.000 0.301 99 G C -2.179 172.501 174.900 -0.366 0.000 1.878 99 G CA -0.474 44.549 45.100 -0.128 0.000 0.828 99 G HN 0.611 nan 8.290 nan 0.000 0.435 100 L N 1.947 122.627 121.223 -0.906 0.000 2.410 100 L HA 0.752 5.092 4.340 -0.000 0.000 0.273 100 L C 0.187 176.803 176.870 -0.424 0.000 1.144 100 L CA 0.600 55.059 54.840 -0.635 0.000 0.863 100 L CB 1.370 42.942 42.059 -0.812 0.000 1.140 100 L HN 0.331 nan 8.230 nan 0.000 0.463 101 T N 3.857 118.261 114.554 -0.251 0.000 2.923 101 T HA 0.747 5.097 4.350 -0.000 0.000 0.311 101 T C -1.289 173.322 174.700 -0.148 0.000 1.183 101 T CA -0.278 61.713 62.100 -0.182 0.000 1.020 101 T CB 1.406 70.189 68.868 -0.141 0.000 1.165 101 T HN 0.749 nan 8.240 nan 0.000 0.482 102 A N 2.791 125.530 122.820 -0.135 0.000 2.288 102 A HA 0.529 4.849 4.320 -0.000 0.000 0.320 102 A C 1.033 178.561 177.584 -0.094 0.000 1.217 102 A CA -0.673 51.289 52.037 -0.126 0.000 0.840 102 A CB 0.455 19.369 19.000 -0.143 0.000 1.179 102 A HN 0.887 nan 8.150 nan 0.000 0.504 103 N N 1.635 120.287 118.700 -0.080 0.000 2.336 103 N HA -0.121 4.619 4.740 -0.000 0.000 0.177 103 N C 1.213 176.691 175.510 -0.052 0.000 1.018 103 N CA 1.274 54.288 53.050 -0.060 0.000 0.878 103 N CB -0.190 38.266 38.487 -0.051 0.000 0.997 103 N HN 0.636 nan 8.380 nan 0.000 0.433 104 S N 0.792 116.459 115.700 -0.056 0.000 2.653 104 S HA -0.047 4.423 4.470 -0.000 0.000 0.233 104 S C 0.211 174.787 174.600 -0.040 0.000 0.970 104 S CA -0.038 58.135 58.200 -0.045 0.000 0.947 104 S CB -0.666 62.505 63.200 -0.048 0.000 0.771 104 S HN 0.202 nan 8.310 nan 0.000 0.538 105 D N 2.293 122.664 120.400 -0.049 0.000 2.078 105 D HA -0.146 4.494 4.640 -0.000 0.000 0.211 105 D C 0.117 176.395 176.300 -0.038 0.000 1.155 105 D CA 1.598 55.568 54.000 -0.049 0.000 0.993 105 D CB -1.007 39.762 40.800 -0.051 0.000 2.201 105 D HN 0.219 nan 8.370 nan 0.000 0.597 106 T N 0.042 114.563 114.554 -0.055 0.000 2.076 106 T HA -0.171 4.179 4.350 -0.000 0.000 0.264 106 T C -0.458 174.249 174.700 0.012 0.000 1.051 106 T CA 1.420 63.468 62.100 -0.086 0.000 2.020 106 T CB -0.980 67.844 68.868 -0.074 0.000 1.024 106 T HN 0.611 nan 8.240 nan 0.000 0.392 107 H N -0.923 118.135 119.070 -0.019 0.000 3.101 107 H HA -0.098 4.458 4.556 -0.000 0.000 0.350 107 H C -0.534 174.780 175.328 -0.024 0.000 1.157 107 H CA -0.230 55.804 56.048 -0.022 0.000 1.141 107 H CB -1.447 28.299 29.762 -0.028 0.000 1.595 107 H HN 0.467 nan 8.280 nan 0.000 0.406 108 L N 3.054 124.307 121.223 0.050 0.000 2.257 108 L HA 0.379 4.719 4.340 -0.000 0.000 0.290 108 L C 0.246 177.135 176.870 0.032 0.000 1.044 108 L CA -0.383 54.475 54.840 0.031 0.000 0.810 108 L CB 0.701 42.766 42.059 0.010 0.000 1.193 108 L HN 0.214 nan 8.230 nan 0.000 0.425 109 L N 2.074 123.311 121.223 0.024 0.000 2.569 109 L HA 0.434 4.774 4.340 -0.000 0.000 0.247 109 L C 0.633 177.520 176.870 0.028 0.000 1.135 109 L CA -0.536 54.311 54.840 0.012 0.000 0.812 109 L CB 0.215 42.270 42.059 -0.008 0.000 1.431 109 L HN 0.651 nan 8.230 nan 0.000 0.499 110 Q N -0.164 119.661 119.800 0.041 0.000 2.492 110 Q HA 0.331 4.671 4.340 -0.000 0.000 0.238 110 Q C 0.784 176.820 176.000 0.060 0.000 1.045 110 Q CA 0.201 56.040 55.803 0.061 0.000 0.934 110 Q CB 0.309 29.097 28.738 0.084 0.000 1.276 110 Q HN 0.795 nan 8.270 nan 0.000 0.521 111 G N 0.879 109.710 108.800 0.051 0.000 4.236 111 G HA2 -0.422 3.538 3.960 -0.000 0.000 0.222 111 G HA3 -0.422 3.538 3.960 -0.000 0.000 0.222 111 G C -0.048 174.867 174.900 0.024 0.000 1.354 111 G CA 0.491 45.612 45.100 0.036 0.000 0.966 111 G HN 0.744 nan 8.290 nan 0.000 0.624 112 Q N 2.577 122.391 119.800 0.023 0.000 2.841 112 Q HA 0.309 4.649 4.340 -0.000 0.000 0.330 112 Q C 0.729 176.729 176.000 0.001 0.000 1.136 112 Q CA 0.269 56.078 55.803 0.009 0.000 1.129 112 Q CB -0.065 28.677 28.738 0.008 0.000 0.992 112 Q HN 0.602 nan 8.270 nan 0.000 0.411 113 S N 1.866 117.563 115.700 -0.006 0.000 2.542 113 S HA 0.020 4.490 4.470 -0.000 0.000 0.287 113 S C -0.109 174.469 174.600 -0.038 0.000 1.315 113 S CA -0.213 57.976 58.200 -0.018 0.000 1.037 113 S CB 0.345 63.533 63.200 -0.021 0.000 0.822 113 S HN 0.475 nan 8.310 nan 0.000 0.513 114 L N 2.298 123.483 121.223 -0.063 0.000 2.341 114 L HA 0.692 5.032 4.340 -0.000 0.000 0.278 114 L C -0.003 176.791 176.870 -0.127 0.000 1.005 114 L CA -0.110 54.664 54.840 -0.109 0.000 0.818 114 L CB 1.918 43.877 42.059 -0.167 0.000 1.259 114 L HN 0.762 nan 8.230 nan 0.000 0.418 115 T N 3.670 118.150 114.554 -0.123 0.000 2.856 115 T HA 0.686 5.036 4.350 -0.000 0.000 0.283 115 T C -0.812 173.805 174.700 -0.138 0.000 1.008 115 T CA -0.622 61.410 62.100 -0.114 0.000 0.997 115 T CB 1.042 69.863 68.868 -0.078 0.000 0.992 115 T HN 0.603 nan 8.240 nan 0.000 0.454 116 L N 3.642 124.786 121.223 -0.132 0.000 2.427 116 L HA 0.414 4.754 4.340 -0.000 0.000 0.264 116 L C -0.011 176.799 176.870 -0.100 0.000 0.989 116 L CA -0.676 54.081 54.840 -0.139 0.000 0.865 116 L CB 1.857 43.812 42.059 -0.174 0.000 1.209 116 L HN 0.828 nan 8.230 nan 0.000 0.430 117 T N 2.775 117.274 114.554 -0.091 0.000 2.934 117 T HA 0.640 4.990 4.350 -0.000 0.000 0.283 117 T C -0.551 174.106 174.700 -0.071 0.000 1.005 117 T CA -0.442 61.620 62.100 -0.065 0.000 1.041 117 T CB 2.415 71.251 68.868 -0.053 0.000 1.042 117 T HN 0.207 nan 8.240 nan 0.000 0.505 118 L N 1.182 122.384 121.223 -0.036 0.000 2.354 118 L HA 0.516 4.856 4.340 -0.000 0.000 0.269 118 L C -0.518 176.367 176.870 0.026 0.000 1.005 118 L CA -0.516 54.316 54.840 -0.015 0.000 0.819 118 L CB 1.969 44.045 42.059 0.028 0.000 1.311 118 L HN 0.600 nan 8.230 nan 0.000 0.423 119 E N 1.770 121.995 120.200 0.041 0.000 2.204 119 E HA 0.704 5.054 4.350 -0.000 0.000 0.276 119 E C -1.299 175.363 176.600 0.103 0.000 0.974 119 E CA -0.481 55.944 56.400 0.042 0.000 0.815 119 E CB 1.697 31.400 29.700 0.005 0.000 1.119 119 E HN 0.616 nan 8.360 nan 0.000 0.393 120 S N 2.116 117.831 115.700 0.024 0.000 2.567 120 S HA 0.354 4.824 4.470 -0.000 0.000 0.270 120 S C -2.740 171.781 174.600 -0.132 0.000 1.152 120 S CA -1.190 56.952 58.200 -0.098 0.000 0.835 120 S CB 1.535 64.817 63.200 0.136 0.000 1.115 120 S HN 0.423 nan 8.310 nan 0.000 0.459 121 P HA 0.175 nan 4.420 nan 0.000 0.264 121 P C -2.194 175.071 177.300 -0.060 0.000 1.193 121 P CA -0.704 62.315 63.100 -0.135 0.000 0.763 121 P CB -0.264 31.340 31.700 -0.161 0.000 0.810 122 P HA -0.209 nan 4.420 nan 0.000 0.222 122 P C 0.875 178.176 177.300 0.002 0.000 1.147 122 P CA 2.002 65.095 63.100 -0.012 0.000 0.958 122 P CB -0.357 31.336 31.700 -0.013 0.000 0.788 123 G N -1.223 107.577 108.800 0.000 0.000 2.547 123 G HA2 0.519 4.479 3.960 -0.000 0.000 0.327 123 G HA3 0.519 4.479 3.960 -0.000 0.000 0.327 123 G C -0.791 174.122 174.900 0.023 0.000 1.118 123 G CA 0.047 45.155 45.100 0.014 0.000 1.022 123 G HN 0.113 nan 8.290 nan 0.000 0.464 124 S N -0.009 115.719 115.700 0.047 0.000 2.715 124 S HA 0.430 4.900 4.470 -0.000 0.000 0.290 124 S C -0.851 173.826 174.600 0.127 0.000 1.008 124 S CA -0.655 57.596 58.200 0.085 0.000 0.850 124 S CB 1.477 64.726 63.200 0.082 0.000 1.059 124 S HN 0.543 nan 8.310 nan 0.000 0.455 125 S N 2.792 118.580 115.700 0.146 0.000 2.500 125 S HA 0.849 5.319 4.470 -0.000 0.000 0.301 125 S C -2.574 172.118 174.600 0.154 0.000 1.092 125 S CA -1.095 57.189 58.200 0.140 0.000 1.030 125 S CB 1.714 64.963 63.200 0.081 0.000 1.031 125 S HN 0.513 nan 8.310 nan 0.000 0.483 126 P HA 0.686 nan 4.420 nan 0.000 0.309 126 P C -1.278 176.015 177.300 -0.012 0.000 1.302 126 P CA -0.778 62.327 63.100 0.007 0.000 0.835 126 P CB 1.709 33.413 31.700 0.006 0.000 1.324 127 S N -1.300 114.364 115.700 -0.061 0.000 2.548 127 S HA 0.457 4.927 4.470 -0.000 0.000 0.278 127 S C -1.316 173.258 174.600 -0.044 0.000 1.150 127 S CA -0.409 57.771 58.200 -0.032 0.000 0.907 127 S CB 0.909 64.096 63.200 -0.023 0.000 1.108 127 S HN 0.203 nan 8.310 nan 0.000 0.459 128 V N 3.775 123.679 119.914 -0.017 0.000 2.540 128 V HA 0.566 4.686 4.120 -0.000 0.000 0.302 128 V C -0.254 175.851 176.094 0.017 0.000 1.035 128 V CA -0.640 61.659 62.300 -0.003 0.000 0.873 128 V CB 1.736 33.560 31.823 0.001 0.000 0.992 128 V HN 0.839 nan 8.190 nan 0.000 0.428 129 Q N 3.807 123.626 119.800 0.032 0.000 2.506 129 Q HA 0.306 4.646 4.340 -0.000 0.000 0.242 129 Q C -1.186 174.868 176.000 0.091 0.000 1.060 129 Q CA -0.464 55.369 55.803 0.050 0.000 0.826 129 Q CB 1.020 29.778 28.738 0.033 0.000 1.169 129 Q HN 0.829 nan 8.270 nan 0.000 0.521 130 C N 4.967 124.343 119.300 0.126 0.000 2.383 130 C HA 0.361 4.821 4.460 -0.000 0.000 0.350 130 C C 0.512 175.692 174.990 0.318 0.000 1.173 130 C CA -0.583 58.571 59.018 0.227 0.000 1.645 130 C CB -1.056 26.801 27.740 0.194 0.000 2.221 130 C HN 0.701 nan 8.230 nan 0.000 0.528 131 R N 2.434 123.069 120.500 0.226 0.000 2.389 131 R HA 0.313 4.653 4.340 -0.000 0.000 0.295 131 R C 0.480 176.802 176.300 0.037 0.000 1.075 131 R CA 0.060 56.225 56.100 0.108 0.000 1.005 131 R CB 0.739 31.065 30.300 0.045 0.000 0.987 131 R HN 0.747 nan 8.270 nan 0.000 0.452 132 S N 4.022 119.540 115.700 -0.303 0.000 2.645 132 S HA 0.145 4.615 4.470 -0.000 0.000 0.266 132 S C -1.742 172.466 174.600 -0.653 0.000 1.258 132 S CA -1.293 56.284 58.200 -1.039 0.000 0.990 132 S CB 0.909 63.478 63.200 -1.051 0.000 0.967 132 S HN 0.426 nan 8.310 nan 0.000 0.556 133 P HA 0.081 nan 4.420 nan 0.000 0.223 133 P C 0.082 177.221 177.300 -0.268 0.000 1.151 133 P CA 0.844 63.720 63.100 -0.373 0.000 0.787 133 P CB 0.219 31.727 31.700 -0.321 0.000 0.788 134 R N -0.837 119.472 120.500 -0.318 0.000 2.539 134 R HA 0.471 4.811 4.340 -0.000 0.000 0.295 134 R C 0.400 176.582 176.300 -0.197 0.000 1.138 134 R CA -0.005 55.975 56.100 -0.200 0.000 0.936 134 R CB 1.126 31.338 30.300 -0.146 0.000 1.182 134 R HN 0.111 nan 8.270 nan 0.000 0.459 135 G N 2.953 111.666 108.800 -0.145 0.000 2.547 135 G HA2 -0.377 3.583 3.960 -0.000 0.000 0.271 135 G HA3 -0.377 3.583 3.960 -0.000 0.000 0.271 135 G C -0.631 174.201 174.900 -0.114 0.000 1.209 135 G CA 0.163 45.198 45.100 -0.107 0.000 0.959 135 G HN 0.697 nan 8.290 nan 0.000 0.563 136 K N 0.465 120.822 120.400 -0.070 0.000 5.128 136 K HA -0.200 4.120 4.320 -0.000 0.000 0.371 136 K C 0.074 176.676 176.600 0.004 0.000 0.786 136 K CA 1.032 57.303 56.287 -0.027 0.000 0.982 136 K CB -1.257 31.235 32.500 -0.015 0.000 1.986 136 K HN 0.585 nan 8.250 nan 0.000 0.340 137 N N 4.488 123.200 118.700 0.020 0.000 3.178 137 N HA 0.031 4.771 4.740 -0.000 0.000 0.300 137 N C 0.238 175.792 175.510 0.073 0.000 1.242 137 N CA -0.042 53.033 53.050 0.043 0.000 1.192 137 N CB 0.113 38.615 38.487 0.025 0.000 1.463 137 N HN 0.457 nan 8.380 nan 0.000 0.539 138 I N 2.413 123.059 120.570 0.127 0.000 2.587 138 I HA -0.093 4.077 4.170 -0.000 0.000 0.284 138 I C -0.116 176.064 176.117 0.104 0.000 1.134 138 I CA 0.047 61.426 61.300 0.131 0.000 1.410 138 I CB 0.273 38.395 38.000 0.204 0.000 1.392 138 I HN 0.355 nan 8.210 nan 0.000 0.545 139 Q N 6.206 126.043 119.800 0.063 0.000 2.484 139 Q HA 0.935 5.275 4.340 -0.000 0.000 0.285 139 Q C -0.565 175.450 176.000 0.025 0.000 1.097 139 Q CA -0.884 54.945 55.803 0.042 0.000 0.802 139 Q CB 2.064 30.821 28.738 0.033 0.000 1.444 139 Q HN 0.660 nan 8.270 nan 0.000 0.429 140 G N -0.816 107.992 108.800 0.014 0.000 2.664 140 G HA2 0.617 4.577 3.960 -0.000 0.000 0.303 140 G HA3 0.617 4.577 3.960 -0.000 0.000 0.303 140 G C -0.740 174.162 174.900 0.002 0.000 1.243 140 G CA -0.302 44.801 45.100 0.006 0.000 0.826 140 G HN 0.780 nan 8.290 nan 0.000 0.498 141 G N -0.623 108.177 108.800 0.000 0.000 3.329 141 G HA2 0.423 4.383 3.960 -0.000 0.000 0.180 141 G HA3 0.423 4.383 3.960 -0.000 0.000 0.180 141 G C 0.999 175.902 174.900 0.005 0.000 1.640 141 G CA 0.542 45.644 45.100 0.004 0.000 1.018 141 G HN 0.845 nan 8.290 nan 0.000 0.581 142 K N -0.981 119.426 120.400 0.012 0.000 2.525 142 K HA 0.251 4.571 4.320 -0.000 0.000 0.192 142 K C -0.060 176.540 176.600 -0.001 0.000 1.029 142 K CA 0.614 56.912 56.287 0.019 0.000 1.029 142 K CB 0.211 32.728 32.500 0.029 0.000 0.814 142 K HN 0.149 nan 8.250 nan 0.000 0.503 143 T N 1.047 115.595 114.554 -0.011 0.000 3.097 143 T HA 0.479 4.829 4.350 -0.000 0.000 0.332 143 T C -2.223 172.459 174.700 -0.029 0.000 1.269 143 T CA -0.961 61.123 62.100 -0.027 0.000 1.076 143 T CB 1.273 70.126 68.868 -0.025 0.000 1.209 143 T HN 0.329 nan 8.240 nan 0.000 0.474 144 L N 0.704 121.899 121.223 -0.046 0.000 2.543 144 L HA 0.952 5.292 4.340 -0.000 0.000 0.265 144 L C -0.861 175.962 176.870 -0.078 0.000 0.945 144 L CA -0.519 54.294 54.840 -0.046 0.000 0.869 144 L CB 2.147 44.187 42.059 -0.032 0.000 1.294 144 L HN 0.440 nan 8.230 nan 0.000 0.405 145 S N 1.834 117.493 115.700 -0.068 0.000 2.513 145 S HA 0.762 5.232 4.470 -0.000 0.000 0.299 145 S C -0.398 174.155 174.600 -0.078 0.000 1.087 145 S CA -0.764 57.381 58.200 -0.092 0.000 1.012 145 S CB 2.211 65.371 63.200 -0.067 0.000 1.044 145 S HN 0.538 nan 8.310 nan 0.000 0.485 146 V N 3.706 123.551 119.914 -0.114 0.000 2.432 146 V HA 0.187 4.307 4.120 -0.000 0.000 0.271 146 V C 1.357 177.443 176.094 -0.013 0.000 1.046 146 V CA -0.180 62.091 62.300 -0.048 0.000 0.945 146 V CB 0.624 32.395 31.823 -0.086 0.000 0.992 146 V HN 1.140 nan 8.190 nan 0.000 0.471 147 S N 5.772 121.482 115.700 0.018 0.000 2.298 147 S HA -0.168 4.302 4.470 -0.000 0.000 0.261 147 S C 0.458 175.068 174.600 0.017 0.000 1.347 147 S CA 0.611 58.819 58.200 0.014 0.000 2.316 147 S CB -0.416 62.797 63.200 0.021 0.000 0.678 147 S HN 0.816 nan 8.310 nan 0.000 0.358 148 Q N 1.333 121.149 119.800 0.027 0.000 2.340 148 Q HA 0.653 4.993 4.340 -0.000 0.000 0.259 148 Q C -1.360 174.671 176.000 0.051 0.000 0.964 148 Q CA -0.353 55.467 55.803 0.029 0.000 0.900 148 Q CB 0.813 29.562 28.738 0.017 0.000 1.228 148 Q HN 0.414 nan 8.270 nan 0.000 0.449 149 L N 2.632 123.890 121.223 0.060 0.000 2.534 149 L HA 0.048 4.388 4.340 -0.000 0.000 0.271 149 L C 0.388 177.304 176.870 0.078 0.000 1.178 149 L CA 0.782 55.676 54.840 0.090 0.000 0.907 149 L CB 0.071 42.185 42.059 0.093 0.000 1.164 149 L HN 0.573 nan 8.230 nan 0.000 0.482 150 E N 2.915 123.163 120.200 0.081 0.000 2.166 150 E HA 0.110 4.460 4.350 -0.000 0.000 0.275 150 E C 0.580 177.218 176.600 0.062 0.000 0.941 150 E CA -0.788 55.649 56.400 0.062 0.000 0.784 150 E CB 1.696 31.424 29.700 0.047 0.000 1.115 150 E HN 0.449 nan 8.360 nan 0.000 0.399 151 L N 4.325 125.584 121.223 0.059 0.000 2.318 151 L HA -0.398 3.942 4.340 -0.000 0.000 0.240 151 L C 2.331 179.225 176.870 0.041 0.000 1.135 151 L CA 3.041 57.913 54.840 0.053 0.000 0.850 151 L CB -1.295 40.797 42.059 0.054 0.000 0.970 151 L HN 0.836 nan 8.230 nan 0.000 0.442 152 Q N -1.155 118.660 119.800 0.024 0.000 2.389 152 Q HA -0.195 4.145 4.340 -0.000 0.000 0.213 152 Q C 0.975 176.956 176.000 -0.032 0.000 0.989 152 Q CA 2.103 57.904 55.803 -0.004 0.000 0.891 152 Q CB -0.636 28.094 28.738 -0.014 0.000 0.923 152 Q HN 0.586 nan 8.270 nan 0.000 0.455 153 D N 0.450 120.852 120.400 0.002 0.000 2.413 153 D HA 0.107 4.747 4.640 -0.000 0.000 0.237 153 D C -0.617 175.740 176.300 0.095 0.000 1.171 153 D CA 0.147 54.147 54.000 0.001 0.000 0.839 153 D CB 0.217 41.105 40.800 0.147 0.000 0.950 153 D HN 0.163 nan 8.370 nan 0.000 0.499 154 S N -0.715 115.015 115.700 0.050 0.000 2.541 154 S HA 0.629 5.099 4.470 -0.000 0.000 0.283 154 S C 0.656 175.284 174.600 0.046 0.000 1.196 154 S CA 0.049 58.299 58.200 0.082 0.000 1.062 154 S CB 1.481 64.714 63.200 0.054 0.000 1.009 154 S HN 0.465 nan 8.310 nan 0.000 0.502 155 G N 2.319 111.175 108.800 0.093 0.000 2.113 155 G HA2 0.042 4.002 3.960 -0.000 0.000 0.082 155 G HA3 0.042 4.002 3.960 -0.000 0.000 0.082 155 G C -0.649 174.322 174.900 0.118 0.000 1.155 155 G CA -0.173 44.964 45.100 0.062 0.000 1.241 155 G HN 0.780 nan 8.290 nan 0.000 0.453 156 T N 0.885 115.488 114.554 0.081 0.000 2.881 156 T HA 0.574 4.924 4.350 -0.000 0.000 0.291 156 T C -0.896 173.889 174.700 0.142 0.000 0.990 156 T CA -0.222 61.963 62.100 0.141 0.000 0.976 156 T CB 0.690 69.604 68.868 0.078 0.000 0.970 156 T HN 0.435 nan 8.240 nan 0.000 0.438 157 W N 1.968 123.277 121.300 0.015 0.000 1.998 157 W HA 0.539 5.199 4.660 -0.000 0.000 0.441 157 W C 0.503 177.038 176.519 0.027 0.000 1.859 157 W CA -0.384 56.972 57.345 0.018 0.000 2.071 157 W CB 0.484 29.954 29.460 0.017 0.000 1.474 157 W HN 0.426 nan 8.180 nan 0.000 0.734 158 T N -0.080 114.657 114.554 0.304 0.000 3.523 158 T HA 0.234 4.584 4.350 -0.000 0.000 0.265 158 T C -0.912 173.897 174.700 0.182 0.000 0.986 158 T CA -0.888 61.324 62.100 0.187 0.000 1.616 158 T CB -1.075 67.852 68.868 0.099 0.000 0.803 158 T HN 0.292 nan 8.240 nan 0.000 0.603 159 C N 2.109 121.536 119.300 0.212 0.000 2.652 159 C HA 0.658 5.118 4.460 -0.000 0.000 0.412 159 C C 1.035 176.118 174.990 0.154 0.000 1.294 159 C CA -0.313 58.810 59.018 0.176 0.000 2.127 159 C CB -0.131 27.701 27.740 0.153 0.000 2.691 159 C HN 0.740 nan 8.230 nan 0.000 0.615 160 T N 1.802 116.412 114.554 0.093 0.000 2.809 160 T HA 0.334 4.684 4.350 -0.000 0.000 0.284 160 T C -0.380 174.319 174.700 -0.002 0.000 0.992 160 T CA -0.302 61.816 62.100 0.029 0.000 0.957 160 T CB 1.240 70.105 68.868 -0.006 0.000 0.942 160 T HN 0.427 nan 8.240 nan 0.000 0.439 161 V N 5.218 125.103 119.914 -0.049 0.000 2.338 161 V HA 0.262 4.382 4.120 -0.000 0.000 0.255 161 V C 0.289 176.201 176.094 -0.302 0.000 1.082 161 V CA -0.528 61.652 62.300 -0.200 0.000 0.951 161 V CB 0.265 31.895 31.823 -0.321 0.000 1.102 161 V HN 0.710 nan 8.190 nan 0.000 0.489 162 L N 5.820 126.925 121.223 -0.196 0.000 2.290 162 L HA 0.615 4.955 4.340 -0.000 0.000 0.284 162 L C -0.201 176.579 176.870 -0.151 0.000 1.078 162 L CA -0.140 54.614 54.840 -0.144 0.000 0.815 162 L CB 1.332 43.348 42.059 -0.071 0.000 1.162 162 L HN 0.867 nan 8.230 nan 0.000 0.435 163 Q N 6.191 125.930 119.800 -0.101 0.000 2.313 163 Q HA 0.367 4.707 4.340 -0.000 0.000 0.260 163 Q C -0.610 175.415 176.000 0.041 0.000 0.972 163 Q CA -0.483 55.321 55.803 0.001 0.000 0.886 163 Q CB 1.165 29.961 28.738 0.096 0.000 1.373 163 Q HN 0.846 nan 8.270 nan 0.000 0.416 164 N N 1.535 120.264 118.700 0.048 0.000 6.506 164 N HA -0.262 4.478 4.740 -0.000 0.000 0.396 164 N C -0.313 175.212 175.510 0.025 0.000 0.931 164 N CA 1.187 54.264 53.050 0.045 0.000 1.204 164 N CB -0.379 38.148 38.487 0.066 0.000 0.829 164 N HN 0.972 nan 8.380 nan 0.000 0.351 165 Q N 0.640 120.455 119.800 0.025 0.000 2.373 165 Q HA 0.118 4.458 4.340 -0.000 0.000 0.206 165 Q C -0.427 175.580 176.000 0.010 0.000 0.942 165 Q CA 0.754 56.566 55.803 0.015 0.000 0.953 165 Q CB 0.237 28.985 28.738 0.016 0.000 1.022 165 Q HN 0.202 nan 8.270 nan 0.000 0.502 166 K N 1.358 121.766 120.400 0.014 0.000 2.238 166 K HA 0.486 4.806 4.320 -0.000 0.000 0.239 166 K C -1.184 175.406 176.600 -0.016 0.000 0.987 166 K CA -0.563 55.729 56.287 0.008 0.000 0.857 166 K CB 1.702 34.222 32.500 0.033 0.000 1.154 166 K HN 0.234 nan 8.250 nan 0.000 0.439 167 K N -1.622 118.754 120.400 -0.039 0.000 2.578 167 K HA 0.615 4.935 4.320 -0.000 0.000 0.269 167 K C -1.672 174.861 176.600 -0.112 0.000 0.941 167 K CA -1.059 55.176 56.287 -0.087 0.000 0.847 167 K CB 1.913 34.368 32.500 -0.074 0.000 1.397 167 K HN 0.212 nan 8.250 nan 0.000 0.422 168 V N 1.589 121.393 119.914 -0.184 0.000 2.444 168 V HA 0.298 4.418 4.120 -0.000 0.000 0.294 168 V C -0.729 175.152 176.094 -0.355 0.000 1.022 168 V CA -0.382 61.761 62.300 -0.263 0.000 0.850 168 V CB 1.524 33.188 31.823 -0.265 0.000 0.992 168 V HN 0.896 nan 8.190 nan 0.000 0.426 169 E N 4.141 124.150 120.200 -0.318 0.000 2.374 169 E HA 0.437 4.787 4.350 -0.000 0.000 0.260 169 E C -1.611 174.735 176.600 -0.423 0.000 1.101 169 E CA -0.206 56.056 56.400 -0.231 0.000 0.907 169 E CB 1.048 30.672 29.700 -0.126 0.000 1.014 169 E HN 0.586 nan 8.360 nan 0.000 0.427 170 F N 1.254 121.211 119.950 0.011 0.000 2.574 170 F HA 0.308 4.835 4.527 -0.000 0.000 0.313 170 F C -0.184 175.638 175.800 0.037 0.000 1.130 170 F CA -0.721 57.291 58.000 0.019 0.000 0.936 170 F CB 1.764 40.770 39.000 0.010 0.000 1.219 170 F HN 0.138 nan 8.300 nan 0.000 0.445 171 K N 4.096 124.651 120.400 0.259 0.000 2.357 171 K HA 0.460 4.780 4.320 -0.000 0.000 0.251 171 K C -1.132 175.557 176.600 0.149 0.000 1.069 171 K CA -0.577 55.814 56.287 0.172 0.000 0.994 171 K CB 1.029 33.598 32.500 0.115 0.000 1.411 171 K HN 0.454 nan 8.250 nan 0.000 0.450 172 I N 2.211 122.866 120.570 0.141 0.000 2.437 172 I HA 0.146 4.316 4.170 -0.000 0.000 0.298 172 I C -0.811 175.373 176.117 0.112 0.000 0.984 172 I CA -0.500 60.842 61.300 0.070 0.000 1.214 172 I CB 1.463 39.450 38.000 -0.022 0.000 1.365 172 I HN 0.417 nan 8.210 nan 0.000 0.469 173 D N 7.452 127.894 120.400 0.071 0.000 2.233 173 D HA 0.553 5.193 4.640 -0.000 0.000 0.240 173 D C -0.823 175.526 176.300 0.082 0.000 1.074 173 D CA 0.297 54.358 54.000 0.101 0.000 0.838 173 D CB 1.160 41.995 40.800 0.058 0.000 1.124 173 D HN 0.238 nan 8.370 nan 0.000 0.475 174 I N 2.295 122.971 120.570 0.176 0.000 2.503 174 I HA 0.216 4.386 4.170 -0.000 0.000 0.282 174 I C -1.031 175.187 176.117 0.169 0.000 1.059 174 I CA -0.794 60.592 61.300 0.143 0.000 1.081 174 I CB 1.929 40.008 38.000 0.133 0.000 1.210 174 I HN 0.051 nan 8.210 nan 0.000 0.450 175 V N 7.595 127.561 119.914 0.086 0.000 2.384 175 V HA 0.429 4.549 4.120 -0.000 0.000 0.287 175 V C -0.224 175.905 176.094 0.058 0.000 1.020 175 V CA -0.538 61.804 62.300 0.071 0.000 0.850 175 V CB 2.198 34.046 31.823 0.041 0.000 0.987 175 V HN 0.365 nan 8.190 nan 0.000 0.436 176 V N 7.867 127.821 119.914 0.066 0.000 2.364 176 V HA 0.346 4.466 4.120 -0.000 0.000 0.272 176 V C 0.255 176.366 176.094 0.029 0.000 1.036 176 V CA -0.342 61.990 62.300 0.054 0.000 0.880 176 V CB 1.337 33.201 31.823 0.070 0.000 0.991 176 V HN 0.704 nan 8.190 nan 0.000 0.460 177 L N 5.239 126.469 121.223 0.012 0.000 2.417 177 L HA 0.747 5.087 4.340 -0.000 0.000 0.268 177 L C 0.377 177.217 176.870 -0.050 0.000 1.158 177 L CA 0.519 55.343 54.840 -0.026 0.000 0.819 177 L CB 1.172 43.211 42.059 -0.033 0.000 1.112 177 L HN 0.931 nan 8.230 nan 0.000 0.458 178 A N 2.798 125.548 122.820 -0.117 0.000 3.092 178 A HA 0.426 4.746 4.320 -0.000 0.000 0.281 178 A C -1.842 175.599 177.584 -0.238 0.000 1.016 178 A CA -0.607 51.354 52.037 -0.127 0.000 0.556 178 A CB -0.202 18.814 19.000 0.026 0.000 1.597 178 A HN 0.469 nan 8.150 nan 0.000 0.752 179 F N -0.410 119.567 119.950 0.045 0.000 2.557 179 F HA 0.652 5.179 4.527 -0.000 0.000 0.336 179 F C 1.003 176.839 175.800 0.059 0.000 1.058 179 F CA -0.073 57.961 58.000 0.057 0.000 0.988 179 F CB 1.830 40.865 39.000 0.059 0.000 1.275 179 F HN 0.540 nan 8.300 nan 0.000 0.488 180 Q N 1.797 121.781 119.800 0.307 0.000 2.237 180 Q HA 0.279 4.619 4.340 -0.000 0.000 0.252 180 Q C -1.270 174.832 176.000 0.171 0.000 0.877 180 Q CA 0.080 55.996 55.803 0.188 0.000 1.011 180 Q CB -0.094 28.740 28.738 0.160 0.000 1.118 180 Q HN 0.436 nan 8.270 nan 0.000 0.458 181 K N -1.996 118.510 120.400 0.176 0.000 2.653 181 K HA 0.622 4.942 4.320 -0.000 0.000 0.274 181 K C -1.128 175.518 176.600 0.077 0.000 0.974 181 K CA 0.361 56.717 56.287 0.116 0.000 0.868 181 K CB 0.276 32.848 32.500 0.120 0.000 1.408 181 K HN -0.081 nan 8.250 nan 0.000 0.397 182 A N 0.960 123.807 122.820 0.046 0.000 1.997 182 A HA 0.325 4.645 4.320 -0.000 0.000 0.214 182 A C -0.017 177.555 177.584 -0.021 0.000 1.458 182 A CA 0.888 52.933 52.037 0.014 0.000 0.692 182 A CB -0.120 18.890 19.000 0.016 0.000 1.145 182 A HN 0.450 nan 8.150 nan 0.000 0.515 183 S N 0.761 116.456 115.700 -0.009 0.000 2.594 183 S HA 0.551 5.021 4.470 -0.000 0.000 0.322 183 S C -0.649 173.953 174.600 0.002 0.000 1.085 183 S CA -0.552 57.633 58.200 -0.026 0.000 1.116 183 S CB 0.474 63.658 63.200 -0.025 0.000 0.979 183 S HN 0.379 nan 8.310 nan 0.000 0.465 184 S N 4.496 120.207 115.700 0.017 0.000 2.586 184 S HA 0.626 5.096 4.470 -0.000 0.000 0.274 184 S C -0.361 174.259 174.600 0.034 0.000 1.281 184 S CA -0.552 57.688 58.200 0.066 0.000 1.035 184 S CB 0.756 64.059 63.200 0.171 0.000 0.962 184 S HN 0.748 nan 8.310 nan 0.000 0.512 185 I N 2.112 122.676 120.570 -0.010 0.000 2.656 185 I HA 0.396 4.566 4.170 -0.000 0.000 0.292 185 I C -1.487 174.494 176.117 -0.227 0.000 1.144 185 I CA -0.629 60.594 61.300 -0.129 0.000 1.038 185 I CB 1.965 39.827 38.000 -0.230 0.000 1.244 185 I HN 0.330 nan 8.210 nan 0.000 0.420 186 V N 6.506 126.290 119.914 -0.216 0.000 2.588 186 V HA 0.411 4.531 4.120 -0.000 0.000 0.304 186 V C -1.344 174.611 176.094 -0.231 0.000 1.042 186 V CA -0.706 61.472 62.300 -0.204 0.000 0.877 186 V CB 1.691 33.433 31.823 -0.135 0.000 0.996 186 V HN 0.405 nan 8.190 nan 0.000 0.425 187 Y N 4.335 124.672 120.300 0.061 0.000 2.369 187 Y HA 0.704 5.254 4.550 -0.000 0.000 0.337 187 Y C 0.409 176.336 175.900 0.045 0.000 0.961 187 Y CA -0.658 57.483 58.100 0.068 0.000 1.186 187 Y CB 1.170 39.664 38.460 0.057 0.000 1.139 187 Y HN 0.475 nan 8.280 nan 0.000 0.494 188 K N 1.640 122.154 120.400 0.191 0.000 2.283 188 K HA 0.916 5.236 4.320 -0.000 0.000 0.257 188 K C -0.716 175.961 176.600 0.129 0.000 1.066 188 K CA -1.134 55.222 56.287 0.115 0.000 0.891 188 K CB 1.305 33.831 32.500 0.044 0.000 1.438 188 K HN 0.375 nan 8.250 nan 0.000 0.464 189 K N 0.483 120.939 120.400 0.092 0.000 2.469 189 K HA 0.266 4.586 4.320 -0.000 0.000 0.254 189 K C -0.495 176.154 176.600 0.081 0.000 0.939 189 K CA -0.709 55.641 56.287 0.104 0.000 0.812 189 K CB 1.239 33.791 32.500 0.087 0.000 1.301 189 K HN 0.683 nan 8.250 nan 0.000 0.433 190 E N 0.636 120.900 120.200 0.105 0.000 3.359 190 E HA -0.036 4.314 4.350 -0.000 0.000 0.219 190 E C 1.012 177.634 176.600 0.038 0.000 1.052 190 E CA 1.957 58.404 56.400 0.078 0.000 0.906 190 E CB -1.156 28.605 29.700 0.102 0.000 0.939 190 E HN 1.136 nan 8.360 nan 0.000 0.543 191 G N 3.805 112.609 108.800 0.007 0.000 3.330 191 G HA2 -0.234 3.726 3.960 -0.000 0.000 0.197 191 G HA3 -0.234 3.726 3.960 -0.000 0.000 0.197 191 G C -0.353 174.529 174.900 -0.030 0.000 1.284 191 G CA -0.221 44.870 45.100 -0.014 0.000 0.921 191 G HN 0.515 nan 8.290 nan 0.000 0.466 192 E N 2.604 122.795 120.200 -0.016 0.000 2.820 192 E HA 0.262 4.612 4.350 -0.000 0.000 0.251 192 E C 0.423 176.986 176.600 -0.062 0.000 0.944 192 E CA 0.537 56.920 56.400 -0.029 0.000 0.955 192 E CB 0.219 29.913 29.700 -0.011 0.000 0.904 192 E HN 0.677 nan 8.360 nan 0.000 0.513 193 Q N 1.188 120.944 119.800 -0.073 0.000 2.262 193 Q HA 0.207 4.547 4.340 -0.000 0.000 0.272 193 Q C -0.528 175.395 176.000 -0.128 0.000 1.076 193 Q CA -0.354 55.389 55.803 -0.100 0.000 0.905 193 Q CB 0.480 29.165 28.738 -0.090 0.000 1.182 193 Q HN 0.173 nan 8.270 nan 0.000 0.390 194 V N 2.391 122.205 119.914 -0.168 0.000 2.775 194 V HA 0.246 4.366 4.120 -0.000 0.000 0.299 194 V C 0.439 176.332 176.094 -0.334 0.000 1.062 194 V CA -0.344 61.788 62.300 -0.280 0.000 1.063 194 V CB 1.124 32.742 31.823 -0.342 0.000 0.994 194 V HN 0.862 nan 8.190 nan 0.000 0.483 195 E N 1.433 121.355 120.200 -0.463 0.000 2.392 195 E HA 0.665 5.015 4.350 -0.000 0.000 0.269 195 E C -1.921 174.336 176.600 -0.572 0.000 0.924 195 E CA -0.483 55.714 56.400 -0.339 0.000 0.784 195 E CB 2.564 32.150 29.700 -0.190 0.000 1.292 195 E HN 0.462 nan 8.360 nan 0.000 0.447 196 F N -0.298 119.615 119.950 -0.061 0.000 2.643 196 F HA 0.480 5.007 4.527 -0.000 0.000 0.314 196 F C -0.122 175.435 175.800 -0.405 0.000 1.096 196 F CA -0.625 57.273 58.000 -0.169 0.000 0.953 196 F CB 2.346 41.289 39.000 -0.095 0.000 1.345 196 F HN 0.186 nan 8.300 nan 0.000 0.468 197 S N 1.110 116.545 115.700 -0.441 0.000 2.584 197 S HA 0.708 5.178 4.470 -0.000 0.000 0.280 197 S C -2.010 172.265 174.600 -0.543 0.000 1.162 197 S CA -0.530 57.332 58.200 -0.563 0.000 0.951 197 S CB 0.419 63.557 63.200 -0.104 0.000 1.108 197 S HN 0.427 nan 8.310 nan 0.000 0.464 198 F N 4.135 124.120 119.950 0.059 0.000 2.577 198 F HA 0.530 5.057 4.527 -0.000 0.000 0.344 198 F C -2.298 173.627 175.800 0.208 0.000 1.145 198 F CA -1.765 56.278 58.000 0.072 0.000 0.996 198 F CB 1.118 40.034 39.000 -0.140 0.000 1.248 198 F HN 0.228 nan 8.300 nan 0.000 0.447 199 P HA 0.496 nan 4.420 nan 0.000 0.280 199 P C -0.500 176.922 177.300 0.203 0.000 1.272 199 P CA -0.357 62.857 63.100 0.190 0.000 0.819 199 P CB 2.649 34.414 31.700 0.109 0.000 1.122 200 L N -0.030 121.204 121.223 0.018 0.000 2.741 200 L HA 0.667 5.007 4.340 -0.000 0.000 0.217 200 L C 0.422 177.276 176.870 -0.027 0.000 1.579 200 L CA -0.352 54.438 54.840 -0.085 0.000 2.792 200 L CB -0.117 41.823 42.059 -0.198 0.000 2.589 200 L HN 0.444 nan 8.230 nan 0.000 0.856 201 A N -0.349 122.454 122.820 -0.027 0.000 3.189 201 A HA 0.347 4.667 4.320 -0.000 0.000 0.213 201 A C -0.903 176.794 177.584 0.188 0.000 1.205 201 A CA -0.616 51.481 52.037 0.100 0.000 1.238 201 A CB -0.672 18.374 19.000 0.077 0.000 1.268 201 A HN 0.320 nan 8.150 nan 0.000 0.785 202 F N 0.566 120.515 119.950 -0.001 0.000 1.934 202 F HA -0.208 4.319 4.527 -0.000 0.000 0.146 202 F C 1.113 176.913 175.800 0.001 0.000 0.987 202 F CA 2.184 60.185 58.000 0.001 0.000 0.618 202 F CB -0.613 38.392 39.000 0.008 0.000 0.785 202 F HN 0.536 nan 8.300 nan 0.000 0.747 203 T N 1.459 116.095 114.554 0.137 0.000 2.864 203 T HA 0.912 5.262 4.350 -0.000 0.000 0.289 203 T C -0.022 174.736 174.700 0.097 0.000 1.082 203 T CA -0.956 61.211 62.100 0.112 0.000 1.009 203 T CB 2.116 71.032 68.868 0.081 0.000 1.234 203 T HN 0.283 nan 8.240 nan 0.000 0.526 204 V N -0.254 119.716 119.914 0.093 0.000 3.417 204 V HA 1.004 5.124 4.120 -0.000 0.000 0.297 204 V C -0.447 175.692 176.094 0.075 0.000 1.271 204 V CA -0.723 61.619 62.300 0.071 0.000 1.012 204 V CB 1.307 33.170 31.823 0.067 0.000 1.241 204 V HN 1.232 nan 8.190 nan 0.000 0.477 205 E N -0.688 119.545 120.200 0.054 0.000 6.022 205 E HA 0.012 4.362 4.350 -0.000 0.000 0.552 205 E C -0.979 175.602 176.600 -0.032 0.000 1.276 205 E CA -0.163 56.254 56.400 0.029 0.000 3.043 205 E CB -0.329 29.323 29.700 -0.081 0.000 0.783 205 E HN 0.551 nan 8.360 nan 0.000 0.263 206 K N 0.913 121.286 120.400 -0.044 0.000 2.991 206 K HA 0.342 4.662 4.320 -0.000 0.000 0.338 206 K C 0.065 176.622 176.600 -0.072 0.000 1.038 206 K CA 0.305 56.565 56.287 -0.045 0.000 1.099 206 K CB -0.215 32.266 32.500 -0.032 0.000 1.090 206 K HN 0.471 nan 8.250 nan 0.000 0.449 207 L N 2.276 123.462 121.223 -0.063 0.000 2.838 207 L HA -0.040 4.300 4.340 -0.000 0.000 0.287 207 L C 0.619 177.430 176.870 -0.099 0.000 1.124 207 L CA 0.165 54.964 54.840 -0.067 0.000 1.091 207 L CB -0.984 41.044 42.059 -0.051 0.000 1.448 207 L HN 0.655 nan 8.230 nan 0.000 0.455 208 T N -1.749 112.735 114.554 -0.116 0.000 3.058 208 T HA 0.463 4.813 4.350 -0.000 0.000 0.278 208 T C 0.565 175.172 174.700 -0.156 0.000 0.974 208 T CA 0.091 62.100 62.100 -0.153 0.000 0.893 208 T CB 0.887 69.629 68.868 -0.209 0.000 1.138 208 T HN 0.662 nan 8.240 nan 0.000 0.529 209 G N 0.808 109.517 108.800 -0.152 0.000 2.733 209 G HA2 0.549 4.509 3.960 -0.000 0.000 0.297 209 G HA3 0.549 4.509 3.960 -0.000 0.000 0.297 209 G C -1.268 173.491 174.900 -0.235 0.000 1.452 209 G CA -0.290 44.697 45.100 -0.187 0.000 0.940 209 G HN 0.940 nan 8.290 nan 0.000 0.547 210 S N -0.478 115.071 115.700 -0.252 0.000 2.675 210 S HA 0.857 5.327 4.470 -0.000 0.000 0.297 210 S C -0.109 174.390 174.600 -0.170 0.000 1.035 210 S CA 0.120 58.143 58.200 -0.296 0.000 0.852 210 S CB 1.270 64.363 63.200 -0.178 0.000 1.051 210 S HN 2.391 nan 8.310 nan 0.000 0.451 211 G N 1.096 109.838 108.800 -0.096 0.000 2.694 211 G HA2 0.839 4.799 3.960 -0.000 0.000 0.246 211 G HA3 0.839 4.799 3.960 -0.000 0.000 0.246 211 G C -1.530 173.589 174.900 0.366 0.000 1.205 211 G CA -0.053 45.122 45.100 0.126 0.000 0.891 211 G HN 1.449 nan 8.290 nan 0.000 0.515 212 E N -1.869 118.546 120.200 0.358 0.000 2.422 212 E HA 0.530 4.880 4.350 -0.000 0.000 0.280 212 E C -2.105 174.611 176.600 0.193 0.000 1.091 212 E CA -0.940 55.590 56.400 0.217 0.000 0.849 212 E CB 1.691 31.384 29.700 -0.012 0.000 1.353 212 E HN 0.805 nan 8.360 nan 0.000 0.449 213 L N 1.082 122.346 121.223 0.069 0.000 2.317 213 L HA 0.660 5.000 4.340 -0.000 0.000 0.281 213 L C -1.715 175.339 176.870 0.307 0.000 1.024 213 L CA -0.144 54.780 54.840 0.140 0.000 0.810 213 L CB 0.755 42.794 42.059 -0.032 0.000 1.240 213 L HN 0.591 nan 8.230 nan 0.000 0.427 214 W N 4.859 126.216 121.300 0.096 0.000 2.606 214 W HA 0.509 5.169 4.660 -0.000 0.000 0.332 214 W C -0.888 175.784 176.519 0.254 0.000 1.052 214 W CA -0.648 56.913 57.345 0.362 0.000 1.223 214 W CB 1.132 30.741 29.460 0.248 0.000 1.383 214 W HN 0.430 nan 8.180 nan 0.000 0.524 215 W N 3.560 125.052 121.300 0.319 0.000 2.883 215 W HA 0.393 5.053 4.660 -0.000 0.000 0.335 215 W C -1.068 175.505 176.519 0.090 0.000 1.083 215 W CA -1.282 56.146 57.345 0.138 0.000 1.233 215 W CB 1.993 31.484 29.460 0.052 0.000 1.412 215 W HN 0.472 nan 8.180 nan 0.000 0.490 216 Q N 4.151 124.159 119.800 0.347 0.000 2.506 216 Q HA 0.601 4.941 4.340 -0.000 0.000 0.242 216 Q C 0.178 176.467 176.000 0.481 0.000 1.060 216 Q CA -0.591 55.395 55.803 0.305 0.000 0.826 216 Q CB 1.248 30.066 28.738 0.134 0.000 1.169 216 Q HN 0.361 nan 8.270 nan 0.000 0.521 217 A N 2.343 125.426 122.820 0.438 0.000 2.462 217 A HA 0.062 4.382 4.320 -0.000 0.000 0.243 217 A C 0.126 177.809 177.584 0.165 0.000 1.076 217 A CA -0.316 51.868 52.037 0.245 0.000 0.773 217 A CB 0.302 19.259 19.000 -0.071 0.000 1.010 217 A HN 0.787 nan 8.150 nan 0.000 0.493 218 E N 1.032 121.331 120.200 0.165 0.000 2.417 218 E HA 0.199 4.549 4.350 -0.000 0.000 0.261 218 E C 0.652 177.300 176.600 0.080 0.000 1.000 218 E CA 0.223 56.711 56.400 0.148 0.000 0.919 218 E CB 0.076 29.902 29.700 0.210 0.000 0.955 218 E HN 0.719 nan 8.360 nan 0.000 0.455 219 R N 1.990 122.541 120.500 0.084 0.000 1.706 219 R HA -0.289 4.051 4.340 -0.000 0.000 0.091 219 R C 0.385 176.692 176.300 0.013 0.000 0.932 219 R CA 1.758 57.890 56.100 0.054 0.000 1.944 219 R CB -1.867 28.470 30.300 0.062 0.000 0.506 219 R HN 0.588 nan 8.270 nan 0.000 0.707 220 A N 1.044 123.850 122.820 -0.024 0.000 2.898 220 A HA 0.216 4.536 4.320 -0.000 0.000 0.288 220 A C 1.143 178.707 177.584 -0.034 0.000 1.771 220 A CA 1.000 53.002 52.037 -0.059 0.000 1.383 220 A CB 0.002 18.926 19.000 -0.126 0.000 1.028 220 A HN 0.372 nan 8.150 nan 0.000 0.595 221 S N 1.484 117.174 115.700 -0.016 0.000 2.528 221 S HA -0.075 4.395 4.470 -0.000 0.000 0.244 221 S C 1.248 175.829 174.600 -0.032 0.000 0.982 221 S CA 0.918 59.116 58.200 -0.003 0.000 0.953 221 S CB -0.449 62.753 63.200 0.003 0.000 0.754 221 S HN 0.763 nan 8.310 nan 0.000 0.529 222 S N 2.233 117.894 115.700 -0.066 0.000 3.772 222 S HA 0.106 4.576 4.470 -0.000 0.000 0.191 222 S C 0.522 175.033 174.600 -0.148 0.000 1.060 222 S CA -0.259 57.876 58.200 -0.109 0.000 1.051 222 S CB -0.275 62.848 63.200 -0.129 0.000 1.578 222 S HN 0.304 nan 8.310 nan 0.000 0.481 223 S N 1.402 117.022 115.700 -0.133 0.000 2.598 223 S HA 0.414 4.884 4.470 -0.000 0.000 0.267 223 S C 0.998 175.328 174.600 -0.449 0.000 1.189 223 S CA -0.771 57.313 58.200 -0.193 0.000 1.010 223 S CB 0.263 63.437 63.200 -0.043 0.000 1.084 223 S HN 0.659 nan 8.310 nan 0.000 0.541 224 K N -0.793 119.097 120.400 -0.850 0.000 3.512 224 K HA -0.119 4.201 4.320 -0.000 0.000 0.309 224 K C -0.554 174.681 176.600 -2.275 0.000 1.350 224 K CA 0.673 55.906 56.287 -1.757 0.000 0.960 224 K CB -1.940 30.159 32.500 -0.667 0.000 1.290 224 K HN 0.505 nan 8.250 nan 0.000 0.454 225 S N 0.550 115.432 115.700 -1.363 0.000 2.523 225 S HA 0.578 5.048 4.470 -0.000 0.000 0.275 225 S C -0.195 173.987 174.600 -0.697 0.000 1.281 225 S CA -0.069 57.633 58.200 -0.831 0.000 1.050 225 S CB 0.292 63.269 63.200 -0.372 0.000 0.937 225 S HN 0.390 nan 8.310 nan 0.000 0.492 226 W N 0.437 121.660 121.300 -0.129 0.000 2.743 226 W HA 0.699 5.359 4.660 -0.000 0.000 0.434 226 W C -1.763 174.694 176.519 -0.104 0.000 1.048 226 W CA -1.195 56.063 57.345 -0.144 0.000 1.170 226 W CB 0.459 29.718 29.460 -0.335 0.000 1.466 226 W HN 0.637 nan 8.180 nan 0.000 0.596 227 I N 1.472 122.173 120.570 0.219 0.000 2.644 227 I HA 0.672 4.842 4.170 -0.000 0.000 0.291 227 I C -1.167 174.974 176.117 0.041 0.000 1.180 227 I CA -0.542 60.815 61.300 0.095 0.000 1.040 227 I CB 2.175 40.197 38.000 0.037 0.000 1.255 227 I HN 0.531 nan 8.210 nan 0.000 0.422 228 T N 6.281 120.879 114.554 0.074 0.000 2.855 228 T HA 0.706 5.056 4.350 -0.000 0.000 0.281 228 T C -0.776 174.086 174.700 0.270 0.000 1.007 228 T CA -0.475 61.704 62.100 0.131 0.000 1.009 228 T CB 1.391 70.298 68.868 0.064 0.000 0.983 228 T HN 0.416 nan 8.240 nan 0.000 0.455 229 F N -0.420 119.539 119.950 0.016 0.000 2.591 229 F HA 0.827 5.354 4.527 -0.000 0.000 0.309 229 F C -1.386 174.422 175.800 0.013 0.000 1.098 229 F CA -2.267 55.747 58.000 0.025 0.000 0.937 229 F CB 0.943 39.971 39.000 0.047 0.000 1.250 229 F HN 0.441 nan 8.300 nan 0.000 0.447 230 D N 2.430 122.812 120.400 -0.030 0.000 2.256 230 D HA 0.727 5.367 4.640 -0.000 0.000 0.246 230 D C -1.409 174.789 176.300 -0.170 0.000 1.042 230 D CA -0.098 53.817 54.000 -0.140 0.000 0.841 230 D CB 1.753 42.523 40.800 -0.050 0.000 1.223 230 D HN 0.584 nan 8.370 nan 0.000 0.470 231 L N 2.548 123.636 121.223 -0.224 0.000 2.354 231 L HA 0.613 4.953 4.340 -0.000 0.000 0.264 231 L C -0.906 175.892 176.870 -0.121 0.000 1.008 231 L CA -0.607 54.128 54.840 -0.174 0.000 0.819 231 L CB 2.010 43.920 42.059 -0.248 0.000 1.339 231 L HN 0.310 nan 8.230 nan 0.000 0.420 232 K N 1.953 122.305 120.400 -0.080 0.000 2.589 232 K HA 0.445 4.765 4.320 -0.000 0.000 0.253 232 K C -0.486 176.090 176.600 -0.040 0.000 0.974 232 K CA -0.865 55.385 56.287 -0.060 0.000 0.835 232 K CB 1.757 34.232 32.500 -0.042 0.000 1.272 232 K HN 0.777 nan 8.250 nan 0.000 0.444 233 N N 1.172 119.851 118.700 -0.035 0.000 1.352 233 N HA -0.354 4.386 4.740 -0.000 0.000 0.096 233 N C -0.987 174.516 175.510 -0.011 0.000 0.792 233 N CA 1.049 54.093 53.050 -0.010 0.000 0.831 233 N CB -0.289 38.203 38.487 0.009 0.000 0.865 233 N HN 0.627 nan 8.380 nan 0.000 0.716 234 K N 1.023 121.431 120.400 0.014 0.000 2.715 234 K HA 0.167 4.487 4.320 -0.000 0.000 0.248 234 K C -0.692 175.915 176.600 0.012 0.000 1.276 234 K CA 0.434 56.728 56.287 0.011 0.000 1.209 234 K CB -0.510 32.021 32.500 0.052 0.000 1.509 234 K HN 0.311 nan 8.250 nan 0.000 0.261 235 E N 0.360 120.559 120.200 -0.002 0.000 2.311 235 E HA 0.256 4.606 4.350 -0.000 0.000 0.281 235 E C -1.445 175.155 176.600 -0.001 0.000 0.905 235 E CA -0.611 55.793 56.400 0.006 0.000 0.778 235 E CB 2.070 31.773 29.700 0.005 0.000 1.240 235 E HN -0.034 nan 8.360 nan 0.000 0.410 236 V N 1.230 121.160 119.914 0.027 0.000 3.040 236 V HA 0.853 4.973 4.120 -0.000 0.000 0.312 236 V C -0.822 175.321 176.094 0.081 0.000 1.115 236 V CA -0.858 61.475 62.300 0.054 0.000 0.998 236 V CB 2.080 33.974 31.823 0.118 0.000 1.042 236 V HN 0.800 nan 8.190 nan 0.000 0.433 237 S N 0.206 115.974 115.700 0.113 0.000 2.606 237 S HA 0.399 4.869 4.470 -0.000 0.000 0.290 237 S C -0.982 173.708 174.600 0.150 0.000 1.103 237 S CA -0.521 57.745 58.200 0.110 0.000 0.870 237 S CB 1.051 64.289 63.200 0.062 0.000 1.077 237 S HN 1.748 nan 8.310 nan 0.000 0.448 238 V N 1.662 121.663 119.914 0.145 0.000 2.521 238 V HA 0.631 4.751 4.120 -0.000 0.000 0.286 238 V C 1.314 177.474 176.094 0.109 0.000 1.034 238 V CA 1.131 63.523 62.300 0.154 0.000 1.045 238 V CB 0.173 32.063 31.823 0.111 0.000 0.974 238 V HN 1.402 nan 8.190 nan 0.000 0.480 239 K N 3.964 124.434 120.400 0.118 0.000 2.026 239 K HA 0.333 4.653 4.320 -0.000 0.000 0.208 239 K C 1.273 177.909 176.600 0.060 0.000 1.048 239 K CA 2.979 59.309 56.287 0.072 0.000 0.929 239 K CB -0.718 31.822 32.500 0.067 0.000 0.713 239 K HN 1.971 nan 8.250 nan 0.000 0.439 240 R N -3.780 116.762 120.500 0.069 0.000 3.309 240 R HA 0.520 4.860 4.340 -0.000 0.000 0.270 240 R C 0.300 176.640 176.300 0.066 0.000 0.901 240 R CA 0.107 56.241 56.100 0.057 0.000 0.793 240 R CB -0.823 29.503 30.300 0.044 0.000 1.578 240 R HN 1.369 nan 8.270 nan 0.000 0.475 241 V N -1.566 118.384 119.914 0.061 0.000 3.724 241 V HA 0.073 4.193 4.120 -0.000 0.000 0.531 241 V C 1.274 177.406 176.094 0.063 0.000 0.682 241 V CA 1.653 63.998 62.300 0.076 0.000 2.091 241 V CB -1.712 30.189 31.823 0.131 0.000 2.495 241 V HN 2.612 nan 8.190 nan 0.000 0.517 242 T N -1.819 112.771 114.554 0.059 0.000 13.238 242 T HA -0.018 4.332 4.350 -0.000 0.000 0.399 242 T C 0.192 174.897 174.700 0.009 0.000 1.590 242 T CA 1.264 63.388 62.100 0.040 0.000 2.617 242 T CB -1.053 67.835 68.868 0.034 0.000 2.529 242 T HN 2.678 nan 8.240 nan 0.000 0.190 243 Q N 2.415 122.216 119.800 0.001 0.000 0.906 243 Q HA -0.257 4.083 4.340 -0.000 0.000 0.405 243 Q C 0.190 176.173 176.000 -0.028 0.000 1.047 243 Q CA 2.448 58.240 55.803 -0.018 0.000 0.418 243 Q CB -1.570 27.150 28.738 -0.030 0.000 5.308 243 Q HN 0.789 nan 8.270 nan 0.000 0.447 244 D N -1.873 118.498 120.400 -0.048 0.000 4.259 244 D HA -0.183 4.457 4.640 -0.000 0.000 0.150 244 D C -1.977 174.328 176.300 0.009 0.000 0.731 244 D CA 2.200 56.165 54.000 -0.058 0.000 1.138 244 D CB -2.387 38.345 40.800 -0.113 0.000 0.540 244 D HN 0.830 nan 8.370 nan 0.000 0.507 245 P HA 0.335 nan 4.420 nan 0.000 0.282 245 P C -0.397 176.915 177.300 0.020 0.000 1.287 245 P CA -0.282 62.885 63.100 0.112 0.000 0.792 245 P CB 0.452 32.285 31.700 0.221 0.000 1.163 246 K N 0.445 120.834 120.400 -0.018 0.000 3.100 246 K HA 0.183 4.503 4.320 -0.000 0.000 0.256 246 K C -0.192 176.401 176.600 -0.012 0.000 1.146 246 K CA -0.058 56.218 56.287 -0.018 0.000 1.233 246 K CB -1.804 30.677 32.500 -0.033 0.000 1.226 246 K HN 0.303 nan 8.250 nan 0.000 0.442 247 L N 1.200 122.426 121.223 0.005 0.000 2.584 247 L HA 0.047 4.387 4.340 -0.000 0.000 0.272 247 L C 0.310 177.203 176.870 0.038 0.000 1.195 247 L CA 0.378 55.237 54.840 0.031 0.000 0.920 247 L CB -0.076 42.019 42.059 0.059 0.000 1.173 247 L HN 0.239 nan 8.230 nan 0.000 0.489 248 Q N 2.936 122.763 119.800 0.044 0.000 2.245 248 Q HA 0.609 4.949 4.340 -0.000 0.000 0.256 248 Q C -0.764 175.279 176.000 0.072 0.000 0.942 248 Q CA -0.814 55.018 55.803 0.048 0.000 0.896 248 Q CB 2.667 31.425 28.738 0.034 0.000 1.272 248 Q HN 0.562 nan 8.270 nan 0.000 0.442 249 M N 0.475 120.120 119.600 0.074 0.000 2.602 249 M HA 0.562 5.042 4.480 -0.000 0.000 0.312 249 M C -0.488 175.873 176.300 0.102 0.000 1.181 249 M CA -0.315 55.039 55.300 0.091 0.000 0.910 249 M CB 1.993 34.643 32.600 0.082 0.000 1.723 249 M HN 0.603 nan 8.290 nan 0.000 0.459 250 G N 1.669 110.542 108.800 0.122 0.000 2.562 250 G HA2 0.329 4.289 3.960 -0.000 0.000 0.275 250 G HA3 0.329 4.289 3.960 -0.000 0.000 0.275 250 G C -0.099 174.863 174.900 0.104 0.000 1.196 250 G CA -0.437 44.736 45.100 0.122 0.000 0.908 250 G HN 0.855 nan 8.290 nan 0.000 0.524 251 K N -0.776 119.677 120.400 0.087 0.000 2.356 251 K HA 0.086 4.406 4.320 -0.000 0.000 0.195 251 K C 0.398 177.035 176.600 0.061 0.000 1.037 251 K CA 0.504 56.833 56.287 0.070 0.000 1.014 251 K CB 0.178 32.713 32.500 0.058 0.000 0.815 251 K HN 0.307 nan 8.250 nan 0.000 0.507 252 K N 1.102 121.540 120.400 0.064 0.000 2.182 252 K HA 0.228 4.548 4.320 -0.000 0.000 0.262 252 K C 0.776 177.378 176.600 0.004 0.000 0.957 252 K CA -0.421 55.891 56.287 0.041 0.000 0.842 252 K CB 1.702 34.238 32.500 0.059 0.000 1.099 252 K HN -0.159 nan 8.250 nan 0.000 0.438 253 L N 1.579 122.785 121.223 -0.028 0.000 2.302 253 L HA -0.179 4.161 4.340 -0.000 0.000 0.218 253 L C -0.974 175.823 176.870 -0.122 0.000 1.100 253 L CA 1.678 56.467 54.840 -0.084 0.000 0.774 253 L CB -1.049 40.913 42.059 -0.162 0.000 0.896 253 L HN 0.516 nan 8.230 nan 0.000 0.439 254 P HA 0.177 nan 4.420 nan 0.000 0.220 254 P C -0.361 176.674 177.300 -0.442 0.000 1.793 254 P CA -0.529 62.436 63.100 -0.225 0.000 0.917 254 P CB 0.025 31.627 31.700 -0.163 0.000 1.755 255 L N 0.922 122.015 121.223 -0.216 0.000 4.444 255 L HA -0.223 4.117 4.340 -0.000 0.000 0.550 255 L C 0.353 176.943 176.870 -0.467 0.000 1.072 255 L CA 1.605 56.348 54.840 -0.162 0.000 0.526 255 L CB -1.084 41.074 42.059 0.165 0.000 0.633 255 L HN 0.439 nan 8.230 nan 0.000 1.083 256 H N 2.881 121.942 119.070 -0.016 0.000 2.854 256 H HA 0.350 4.906 4.556 -0.000 0.000 0.275 256 H C -0.252 175.080 175.328 0.008 0.000 1.198 256 H CA -0.785 55.225 56.048 -0.063 0.000 1.489 256 H CB 1.013 30.758 29.762 -0.029 0.000 1.519 256 H HN 0.464 nan 8.280 nan 0.000 0.503 257 L N 4.243 125.537 121.223 0.118 0.000 2.485 257 L HA 0.125 4.465 4.340 -0.000 0.000 0.279 257 L C 0.049 177.131 176.870 0.353 0.000 1.124 257 L CA 0.227 55.211 54.840 0.240 0.000 0.888 257 L CB -0.123 42.115 42.059 0.298 0.000 1.217 257 L HN 0.642 nan 8.230 nan 0.000 0.464 258 T N 2.825 117.505 114.554 0.211 0.000 2.837 258 T HA 0.443 4.793 4.350 -0.000 0.000 0.285 258 T C -0.274 174.495 174.700 0.115 0.000 0.984 258 T CA -0.722 61.459 62.100 0.134 0.000 1.049 258 T CB 2.065 70.964 68.868 0.052 0.000 0.947 258 T HN 0.543 nan 8.240 nan 0.000 0.472 259 L N 4.457 125.709 121.223 0.049 0.000 2.337 259 L HA 0.420 4.760 4.340 -0.000 0.000 0.269 259 L C -2.522 174.279 176.870 -0.115 0.000 1.018 259 L CA -2.492 52.336 54.840 -0.021 0.000 0.876 259 L CB 1.649 43.719 42.059 0.018 0.000 1.236 259 L HN 0.497 nan 8.230 nan 0.000 0.436 260 P HA -0.014 nan 4.420 nan 0.000 0.266 260 P C -1.203 175.989 177.300 -0.179 0.000 1.195 260 P CA -0.020 63.008 63.100 -0.119 0.000 0.768 260 P CB 0.415 32.054 31.700 -0.102 0.000 0.838 261 Q N 1.173 120.885 119.800 -0.146 0.000 2.919 261 Q HA -0.239 4.101 4.340 -0.000 0.000 0.090 261 Q C -0.956 174.905 176.000 -0.231 0.000 1.541 261 Q CA 0.392 56.101 55.803 -0.158 0.000 0.429 261 Q CB -1.688 26.974 28.738 -0.126 0.000 0.628 261 Q HN 0.490 nan 8.270 nan 0.000 0.320 262 A N 6.158 128.888 122.820 -0.150 0.000 2.639 262 A HA 0.387 4.707 4.320 -0.000 0.000 0.295 262 A C 0.385 177.933 177.584 -0.059 0.000 1.443 262 A CA -0.265 51.703 52.037 -0.115 0.000 1.117 262 A CB -0.094 18.890 19.000 -0.026 0.000 1.098 262 A HN 0.568 nan 8.150 nan 0.000 0.552 263 L N 3.331 124.491 121.223 -0.105 0.000 2.375 263 L HA 0.237 4.577 4.340 -0.000 0.000 0.271 263 L C -1.377 175.619 176.870 0.210 0.000 1.107 263 L CA -2.065 52.830 54.840 0.092 0.000 0.806 263 L CB 1.028 43.200 42.059 0.188 0.000 1.146 263 L HN 0.353 nan 8.230 nan 0.000 0.447 264 P HA -0.248 nan 4.420 nan 0.000 0.217 264 P C 1.170 178.257 177.300 -0.355 0.000 1.151 264 P CA 1.182 64.151 63.100 -0.217 0.000 0.849 264 P CB 0.051 31.492 31.700 -0.432 0.000 0.787 265 Q N -1.550 118.052 119.800 -0.330 0.000 2.436 265 Q HA -0.132 4.208 4.340 -0.000 0.000 0.209 265 Q C 0.643 176.335 176.000 -0.514 0.000 0.965 265 Q CA 1.268 56.783 55.803 -0.480 0.000 0.910 265 Q CB -1.094 27.316 28.738 -0.547 0.000 0.980 265 Q HN 0.377 nan 8.270 nan 0.000 0.491 266 Y N 1.465 121.626 120.300 -0.231 0.000 2.547 266 Y HA 0.452 5.002 4.550 -0.000 0.000 0.325 266 Y C 0.772 176.588 175.900 -0.140 0.000 1.165 266 Y CA -0.064 57.846 58.100 -0.315 0.000 1.300 266 Y CB -0.050 38.242 38.460 -0.280 0.000 1.126 266 Y HN 0.147 nan 8.280 nan 0.000 0.513 267 A N -0.018 122.877 122.820 0.124 0.000 2.317 267 A HA 0.889 5.209 4.320 -0.000 0.000 0.327 267 A C 0.567 178.454 177.584 0.504 0.000 1.178 267 A CA 0.221 52.478 52.037 0.367 0.000 0.817 267 A CB 0.739 19.937 19.000 0.330 0.000 1.189 267 A HN 0.449 nan 8.150 nan 0.000 0.489 268 G N 0.008 109.194 108.800 0.643 0.000 2.351 268 G HA2 0.447 4.407 3.960 -0.000 0.000 0.279 268 G HA3 0.447 4.407 3.960 -0.000 0.000 0.279 268 G C -0.441 174.485 174.900 0.043 0.000 1.297 268 G CA 0.008 45.374 45.100 0.444 0.000 0.886 268 G HN 1.074 nan 8.290 nan 0.000 0.493 269 S N -1.368 114.208 115.700 -0.207 0.000 2.738 269 S HA 0.918 5.388 4.470 -0.000 0.000 0.284 269 S C 0.324 174.379 174.600 -0.909 0.000 1.146 269 S CA 0.173 58.111 58.200 -0.438 0.000 0.997 269 S CB 1.426 64.505 63.200 -0.201 0.000 1.081 269 S HN 2.045 nan 8.310 nan 0.000 0.553 270 G N 0.573 108.981 108.800 -0.653 0.000 2.556 270 G HA2 0.487 4.447 3.960 -0.000 0.000 0.294 270 G HA3 0.487 4.447 3.960 -0.000 0.000 0.294 270 G C -2.296 172.402 174.900 -0.336 0.000 1.516 270 G CA -0.936 43.822 45.100 -0.569 0.000 0.824 270 G HN 0.496 nan 8.290 nan 0.000 0.535 271 N N -0.271 118.322 118.700 -0.179 0.000 2.314 271 N HA 0.573 5.313 4.740 -0.000 0.000 0.294 271 N C -1.016 174.390 175.510 -0.174 0.000 1.029 271 N CA -0.550 52.391 53.050 -0.182 0.000 0.845 271 N CB 2.609 41.006 38.487 -0.149 0.000 1.321 271 N HN 0.493 nan 8.380 nan 0.000 0.481 272 L N 1.955 122.982 121.223 -0.327 0.000 2.283 272 L HA 0.483 4.823 4.340 -0.000 0.000 0.281 272 L C -0.723 176.004 176.870 -0.238 0.000 1.033 272 L CA -0.251 54.365 54.840 -0.372 0.000 0.848 272 L CB 0.272 41.810 42.059 -0.869 0.000 1.226 272 L HN 0.554 nan 8.230 nan 0.000 0.429 273 T N 4.530 119.033 114.554 -0.086 0.000 2.744 273 T HA 0.506 4.856 4.350 -0.000 0.000 0.291 273 T C -0.365 174.354 174.700 0.032 0.000 0.957 273 T CA -0.373 61.650 62.100 -0.130 0.000 1.002 273 T CB 1.332 70.062 68.868 -0.229 0.000 0.919 273 T HN 0.355 nan 8.240 nan 0.000 0.468 274 L N 2.702 123.961 121.223 0.060 0.000 2.334 274 L HA 0.784 5.124 4.340 -0.000 0.000 0.276 274 L C -0.618 176.212 176.870 -0.067 0.000 1.014 274 L CA -0.394 54.497 54.840 0.085 0.000 0.815 274 L CB 1.448 43.629 42.059 0.202 0.000 1.268 274 L HN 0.892 nan 8.230 nan 0.000 0.428 275 A N 5.928 128.693 122.820 -0.091 0.000 2.497 275 A HA 0.634 4.954 4.320 -0.000 0.000 0.280 275 A C -1.003 176.511 177.584 -0.116 0.000 1.065 275 A CA -0.627 51.347 52.037 -0.105 0.000 0.781 275 A CB 0.556 19.498 19.000 -0.096 0.000 1.289 275 A HN 0.675 nan 8.150 nan 0.000 0.415 276 L N 0.320 121.472 121.223 -0.119 0.000 2.777 276 L HA 0.978 5.318 4.340 -0.000 0.000 0.241 276 L C 0.216 177.013 176.870 -0.122 0.000 1.854 276 L CA -0.766 53.993 54.840 -0.136 0.000 2.070 276 L CB 0.517 42.481 42.059 -0.158 0.000 2.441 276 L HN 0.908 nan 8.230 nan 0.000 0.587 277 E N -1.746 118.355 120.200 -0.165 0.000 1.894 277 E HA 0.608 4.958 4.350 -0.000 0.000 0.215 277 E C -0.433 176.016 176.600 -0.252 0.000 1.642 277 E CA -0.203 56.109 56.400 -0.145 0.000 1.032 277 E CB 1.126 30.760 29.700 -0.110 0.000 1.625 277 E HN 0.906 nan 8.360 nan 0.000 0.591 278 A N -0.222 122.525 122.820 -0.121 0.000 3.259 278 A HA 0.008 4.327 4.320 -0.000 0.000 0.196 278 A C 0.129 177.735 177.584 0.036 0.000 0.701 278 A CA 0.456 52.480 52.037 -0.022 0.000 2.223 278 A CB -0.852 18.250 19.000 0.170 0.000 0.604 278 A HN 0.270 nan 8.150 nan 0.000 0.576 279 K N 1.831 122.257 120.400 0.043 0.000 3.098 279 K HA 0.322 4.642 4.320 -0.000 0.000 0.204 279 K C 0.304 176.915 176.600 0.018 0.000 1.210 279 K CA 0.610 56.915 56.287 0.030 0.000 0.899 279 K CB 0.846 33.371 32.500 0.041 0.000 1.176 279 K HN 0.928 nan 8.250 nan 0.000 0.585 280 T N -1.257 113.291 114.554 -0.010 0.000 2.484 280 T HA 0.156 4.506 4.350 -0.000 0.000 0.407 280 T C 0.718 175.410 174.700 -0.013 0.000 1.049 280 T CA 0.730 62.815 62.100 -0.025 0.000 1.080 280 T CB 0.359 69.207 68.868 -0.034 0.000 1.041 280 T HN 0.650 nan 8.240 nan 0.000 0.546 281 G N -0.556 108.229 108.800 -0.025 0.000 2.336 281 G HA2 0.460 4.420 3.960 -0.000 0.000 0.300 281 G HA3 0.460 4.420 3.960 -0.000 0.000 0.300 281 G C -1.958 172.917 174.900 -0.042 0.000 1.375 281 G CA -0.612 44.478 45.100 -0.016 0.000 0.885 281 G HN 0.916 nan 8.290 nan 0.000 0.599 282 K N 0.778 121.153 120.400 -0.041 0.000 2.541 282 K HA 0.576 4.896 4.320 -0.000 0.000 0.250 282 K C -0.562 175.925 176.600 -0.189 0.000 0.950 282 K CA -0.762 55.443 56.287 -0.137 0.000 0.805 282 K CB 2.466 34.850 32.500 -0.193 0.000 1.166 282 K HN 0.487 nan 8.250 nan 0.000 0.430 283 L N 2.497 123.625 121.223 -0.159 0.000 2.456 283 L HA 0.399 4.739 4.340 -0.000 0.000 0.257 283 L C -0.228 176.529 176.870 -0.189 0.000 1.162 283 L CA -0.525 54.314 54.840 -0.003 0.000 0.808 283 L CB 0.148 42.246 42.059 0.065 0.000 1.136 283 L HN 0.607 nan 8.230 nan 0.000 0.466 284 H N 0.004 119.175 119.070 0.168 0.000 2.961 284 H HA 0.579 5.135 4.556 -0.000 0.000 0.371 284 H C -1.150 174.151 175.328 -0.044 0.000 1.190 284 H CA -0.715 55.341 56.048 0.013 0.000 1.138 284 H CB 1.738 31.464 29.762 -0.060 0.000 1.816 284 H HN 0.299 nan 8.280 nan 0.000 0.551 285 Q N 1.641 121.339 119.800 -0.169 0.000 2.364 285 Q HA 0.158 4.498 4.340 -0.000 0.000 0.257 285 Q C -1.244 174.548 176.000 -0.347 0.000 0.956 285 Q CA -0.598 54.996 55.803 -0.347 0.000 0.924 285 Q CB 2.876 31.049 28.738 -0.942 0.000 1.413 285 Q HN 0.843 nan 8.270 nan 0.000 0.418 286 E N 1.402 121.469 120.200 -0.222 0.000 2.373 286 E HA 0.501 4.851 4.350 -0.000 0.000 0.263 286 E C -1.307 175.151 176.600 -0.236 0.000 1.073 286 E CA -0.253 56.018 56.400 -0.215 0.000 0.894 286 E CB 1.158 30.774 29.700 -0.139 0.000 1.008 286 E HN 0.279 nan 8.360 nan 0.000 0.420 287 V N 4.767 124.507 119.914 -0.291 0.000 2.808 287 V HA 0.461 4.581 4.120 -0.000 0.000 0.308 287 V C -0.969 174.903 176.094 -0.370 0.000 1.099 287 V CA -0.873 61.254 62.300 -0.288 0.000 0.920 287 V CB 2.135 33.703 31.823 -0.426 0.000 1.014 287 V HN 0.829 nan 8.190 nan 0.000 0.425 288 N N 3.775 122.372 118.700 -0.173 0.000 2.264 288 N HA 0.645 5.385 4.740 -0.000 0.000 0.288 288 N C -1.866 173.740 175.510 0.161 0.000 1.094 288 N CA -0.571 52.413 53.050 -0.109 0.000 0.817 288 N CB 3.162 41.611 38.487 -0.063 0.000 1.604 288 N HN 0.443 nan 8.380 nan 0.000 0.473 289 L N 1.661 123.085 121.223 0.335 0.000 2.438 289 L HA 0.554 4.894 4.340 -0.000 0.000 0.270 289 L C -1.358 175.734 176.870 0.370 0.000 0.972 289 L CA -0.635 54.481 54.840 0.460 0.000 0.831 289 L CB 1.820 44.358 42.059 0.799 0.000 1.273 289 L HN 0.318 nan 8.230 nan 0.000 0.405 290 V N 4.800 124.884 119.914 0.282 0.000 2.769 290 V HA 0.809 4.929 4.120 -0.000 0.000 0.312 290 V C -0.527 175.750 176.094 0.306 0.000 1.058 290 V CA -0.756 61.736 62.300 0.319 0.000 0.952 290 V CB 1.995 34.049 31.823 0.386 0.000 1.019 290 V HN 0.527 nan 8.190 nan 0.000 0.445 291 V N 3.540 123.654 119.914 0.333 0.000 2.925 291 V HA 0.587 4.707 4.120 -0.000 0.000 0.311 291 V C -0.485 175.803 176.094 0.322 0.000 1.104 291 V CA -0.557 61.926 62.300 0.306 0.000 0.954 291 V CB 2.069 34.073 31.823 0.302 0.000 1.022 291 V HN 0.921 nan 8.190 nan 0.000 0.427 292 M N 3.479 123.223 119.600 0.241 0.000 2.321 292 M HA 0.832 5.312 4.480 -0.000 0.000 0.315 292 M C -0.498 175.914 176.300 0.186 0.000 1.052 292 M CA -0.551 54.858 55.300 0.182 0.000 0.936 292 M CB 1.756 34.425 32.600 0.115 0.000 1.639 292 M HN 0.819 nan 8.290 nan 0.000 0.433 293 R N 3.347 123.959 120.500 0.186 0.000 2.407 293 R HA 0.801 5.141 4.340 -0.000 0.000 0.298 293 R C -1.007 175.361 176.300 0.113 0.000 1.166 293 R CA -0.069 56.136 56.100 0.175 0.000 1.006 293 R CB 0.882 31.347 30.300 0.275 0.000 1.145 293 R HN 0.887 nan 8.270 nan 0.000 0.538 294 A N 1.872 124.743 122.820 0.085 0.000 2.316 294 A HA 0.665 4.985 4.320 -0.000 0.000 0.311 294 A C -0.189 177.422 177.584 0.044 0.000 1.339 294 A CA -0.250 51.823 52.037 0.060 0.000 0.960 294 A CB 0.359 19.396 19.000 0.062 0.000 1.152 294 A HN 0.632 nan 8.150 nan 0.000 0.547 295 T N 2.545 117.118 114.554 0.032 0.000 3.109 295 T HA 0.216 4.566 4.350 -0.000 0.000 0.311 295 T C -0.495 174.197 174.700 -0.013 0.000 1.011 295 T CA -0.401 61.708 62.100 0.015 0.000 1.026 295 T CB 1.214 70.103 68.868 0.036 0.000 1.047 295 T HN 0.776 nan 8.240 nan 0.000 0.448 296 Q N 4.143 123.914 119.800 -0.047 0.000 2.297 296 Q HA 0.260 4.600 4.340 -0.000 0.000 0.267 296 Q C 0.681 176.656 176.000 -0.043 0.000 1.006 296 Q CA -0.247 55.509 55.803 -0.079 0.000 0.896 296 Q CB 0.545 29.212 28.738 -0.118 0.000 1.186 296 Q HN 0.657 nan 8.270 nan 0.000 0.392 297 L N 2.874 124.077 121.223 -0.034 0.000 1.925 297 L HA -0.255 4.085 4.340 -0.000 0.000 0.215 297 L C 1.172 178.028 176.870 -0.024 0.000 1.082 297 L CA 1.527 56.355 54.840 -0.019 0.000 0.764 297 L CB -0.544 41.506 42.059 -0.016 0.000 0.887 297 L HN 0.721 nan 8.230 nan 0.000 0.432 298 Q N -1.257 118.525 119.800 -0.030 0.000 3.069 298 Q HA 0.184 4.524 4.340 -0.000 0.000 0.228 298 Q C 0.841 176.817 176.000 -0.040 0.000 1.131 298 Q CA -0.789 54.997 55.803 -0.028 0.000 0.454 298 Q CB -0.324 28.401 28.738 -0.021 0.000 5.178 298 Q HN -0.065 nan 8.270 nan 0.000 0.289 299 K N 0.716 121.095 120.400 -0.035 0.000 2.574 299 K HA 0.117 4.437 4.320 -0.000 0.000 0.193 299 K C -0.530 176.034 176.600 -0.059 0.000 1.035 299 K CA 0.431 56.693 56.287 -0.041 0.000 0.982 299 K CB -0.465 32.020 32.500 -0.025 0.000 0.795 299 K HN 0.308 nan 8.250 nan 0.000 0.491 300 N N 1.165 119.831 118.700 -0.057 0.000 2.272 300 N HA 0.352 5.092 4.740 -0.000 0.000 0.305 300 N C -0.515 174.947 175.510 -0.079 0.000 1.103 300 N CA -0.707 52.305 53.050 -0.064 0.000 0.791 300 N CB 2.118 40.592 38.487 -0.021 0.000 1.356 300 N HN -0.000 nan 8.380 nan 0.000 0.486 301 L N -1.235 119.919 121.223 -0.116 0.000 2.260 301 L HA 0.896 5.236 4.340 -0.000 0.000 0.265 301 L C 0.061 176.917 176.870 -0.023 0.000 1.015 301 L CA -0.284 54.486 54.840 -0.118 0.000 0.826 301 L CB 1.706 43.603 42.059 -0.269 0.000 1.373 301 L HN 0.437 nan 8.230 nan 0.000 0.450 302 T N -1.059 113.488 114.554 -0.011 0.000 2.770 302 T HA 0.501 4.851 4.350 -0.000 0.000 0.323 302 T C -2.046 172.677 174.700 0.038 0.000 1.683 302 T CA -0.304 61.831 62.100 0.058 0.000 1.024 302 T CB 1.045 69.977 68.868 0.107 0.000 1.557 302 T HN 0.986 nan 8.240 nan 0.000 0.494 303 C N 2.547 121.875 119.300 0.047 0.000 3.239 303 C HA 0.863 5.323 4.460 -0.000 0.000 0.329 303 C C -2.042 172.948 174.990 -0.001 0.000 1.252 303 C CA -0.367 58.673 59.018 0.036 0.000 1.323 303 C CB 1.472 29.236 27.740 0.039 0.000 1.663 303 C HN 0.959 nan 8.230 nan 0.000 0.487 304 E N 3.197 123.379 120.200 -0.029 0.000 2.366 304 E HA 0.571 4.921 4.350 -0.000 0.000 0.278 304 E C -1.958 174.505 176.600 -0.229 0.000 0.923 304 E CA -0.544 55.743 56.400 -0.189 0.000 0.761 304 E CB 1.663 31.141 29.700 -0.370 0.000 1.231 304 E HN 0.395 nan 8.360 nan 0.000 0.443 305 V N 2.584 122.326 119.914 -0.286 0.000 2.384 305 V HA 0.384 4.504 4.120 -0.000 0.000 0.287 305 V C -1.106 174.868 176.094 -0.200 0.000 1.020 305 V CA -0.427 61.793 62.300 -0.133 0.000 0.850 305 V CB 0.488 32.295 31.823 -0.026 0.000 0.987 305 V HN 0.603 nan 8.190 nan 0.000 0.436 306 W N 3.551 124.913 121.300 0.103 0.000 2.576 306 W HA 0.813 5.473 4.660 -0.000 0.000 0.360 306 W C 0.787 177.390 176.519 0.140 0.000 1.109 306 W CA 0.714 58.124 57.345 0.109 0.000 1.237 306 W CB 1.239 30.759 29.460 0.101 0.000 1.369 306 W HN 1.003 nan 8.180 nan 0.000 0.609 307 G N 0.738 109.792 108.800 0.422 0.000 2.466 307 G HA2 -0.176 3.784 3.960 -0.000 0.000 0.218 307 G HA3 -0.176 3.784 3.960 -0.000 0.000 0.218 307 G C -2.729 172.313 174.900 0.236 0.000 1.237 307 G CA -0.857 44.435 45.100 0.320 0.000 0.954 307 G HN 0.408 nan 8.290 nan 0.000 0.580 308 P HA 0.293 nan 4.420 nan 0.000 0.238 308 P C 0.325 177.727 177.300 0.170 0.000 1.794 308 P CA 0.646 63.839 63.100 0.156 0.000 1.088 308 P CB -0.307 31.464 31.700 0.118 0.000 1.923 309 T N -0.990 113.653 114.554 0.148 0.000 2.934 309 T HA 0.447 4.797 4.350 -0.000 0.000 0.283 309 T C 0.267 175.021 174.700 0.090 0.000 1.005 309 T CA -0.717 61.459 62.100 0.127 0.000 1.041 309 T CB 1.145 70.068 68.868 0.092 0.000 1.042 309 T HN 0.180 nan 8.240 nan 0.000 0.505 310 S N 1.744 117.488 115.700 0.073 0.000 2.541 310 S HA 0.411 4.881 4.470 -0.000 0.000 0.283 310 S C -1.800 172.818 174.600 0.031 0.000 1.196 310 S CA -1.685 56.546 58.200 0.051 0.000 1.062 310 S CB 0.998 64.228 63.200 0.050 0.000 1.009 310 S HN 0.646 nan 8.310 nan 0.000 0.502 311 P HA 0.147 nan 4.420 nan 0.000 0.252 311 P C 0.109 177.415 177.300 0.010 0.000 1.265 311 P CA 0.353 63.463 63.100 0.017 0.000 0.775 311 P CB 0.080 31.792 31.700 0.019 0.000 1.128 312 K N -0.763 119.643 120.400 0.010 0.000 2.365 312 K HA 0.170 4.490 4.320 -0.000 0.000 0.195 312 K C 1.033 177.630 176.600 -0.005 0.000 1.079 312 K CA 0.283 56.572 56.287 0.004 0.000 0.979 312 K CB -0.436 32.069 32.500 0.009 0.000 0.929 312 K HN 0.132 nan 8.250 nan 0.000 0.523 313 L N -0.268 120.952 121.223 -0.005 0.000 2.470 313 L HA 0.318 4.657 4.340 -0.000 0.000 0.243 313 L C 0.419 177.272 176.870 -0.028 0.000 1.227 313 L CA -0.066 54.761 54.840 -0.021 0.000 0.824 313 L CB 0.041 42.083 42.059 -0.028 0.000 1.175 313 L HN -0.158 nan 8.230 nan 0.000 0.503 314 M N 0.941 120.517 119.600 -0.040 0.000 2.631 314 M HA 0.560 5.040 4.480 -0.000 0.000 0.288 314 M C -1.032 175.237 176.300 -0.051 0.000 1.260 314 M CA -0.370 54.904 55.300 -0.044 0.000 0.842 314 M CB 2.258 34.832 32.600 -0.044 0.000 1.743 314 M HN 0.550 nan 8.290 nan 0.000 0.461 315 L N 0.750 121.940 121.223 -0.055 0.000 2.371 315 L HA 0.836 5.176 4.340 -0.000 0.000 0.262 315 L C -1.265 175.570 176.870 -0.058 0.000 1.006 315 L CA -0.104 54.704 54.840 -0.054 0.000 0.818 315 L CB 2.288 44.312 42.059 -0.058 0.000 1.354 315 L HN 0.933 nan 8.230 nan 0.000 0.415 316 S N 3.725 119.398 115.700 -0.044 0.000 2.543 316 S HA 0.623 5.093 4.470 -0.000 0.000 0.274 316 S C -1.275 173.324 174.600 -0.003 0.000 1.149 316 S CA -0.708 57.467 58.200 -0.041 0.000 0.866 316 S CB 2.054 65.225 63.200 -0.049 0.000 1.111 316 S HN 0.500 nan 8.310 nan 0.000 0.457 317 L N 2.265 123.503 121.223 0.025 0.000 2.409 317 L HA 0.693 5.032 4.340 -0.000 0.000 0.272 317 L C -0.701 176.215 176.870 0.077 0.000 0.980 317 L CA -0.438 54.485 54.840 0.139 0.000 0.826 317 L CB 1.942 44.149 42.059 0.247 0.000 1.268 317 L HN 0.892 nan 8.230 nan 0.000 0.407 318 K N 2.359 122.713 120.400 -0.076 0.000 2.536 318 K HA 0.492 4.812 4.320 -0.000 0.000 0.269 318 K C -0.303 175.786 176.600 -0.851 0.000 0.965 318 K CA -0.942 55.056 56.287 -0.482 0.000 0.860 318 K CB 1.658 33.981 32.500 -0.295 0.000 1.423 318 K HN 0.383 nan 8.250 nan 0.000 0.438 319 L N -0.385 119.990 121.223 -1.413 0.000 2.672 319 L HA 0.257 4.597 4.340 -0.000 0.000 0.236 319 L C 1.098 177.636 176.870 -0.553 0.000 1.186 319 L CA 0.592 54.574 54.840 -1.429 0.000 0.977 319 L CB -0.694 40.497 42.059 -1.446 0.000 1.203 319 L HN 1.135 nan 8.230 nan 0.000 0.448 320 E N -0.237 119.734 120.200 -0.381 0.000 4.540 320 E HA -0.451 3.899 4.350 -0.000 0.000 0.175 320 E C 0.920 177.413 176.600 -0.178 0.000 1.236 320 E CA 1.856 58.132 56.400 -0.206 0.000 2.396 320 E CB -1.575 28.047 29.700 -0.130 0.000 1.797 320 E HN 0.602 nan 8.360 nan 0.000 0.437 321 N N 1.916 120.508 118.700 -0.180 0.000 2.020 321 N HA -0.119 4.621 4.740 -0.000 0.000 0.200 321 N C 0.700 176.132 175.510 -0.130 0.000 1.054 321 N CA 2.193 55.164 53.050 -0.131 0.000 0.874 321 N CB -0.271 38.142 38.487 -0.124 0.000 1.075 321 N HN 0.467 nan 8.380 nan 0.000 0.446 322 K N 1.193 121.495 120.400 -0.163 0.000 2.109 322 K HA 0.193 4.513 4.320 -0.000 0.000 0.243 322 K C 0.435 176.939 176.600 -0.160 0.000 1.006 322 K CA -0.623 55.580 56.287 -0.139 0.000 0.917 322 K CB 0.839 33.261 32.500 -0.131 0.000 1.081 322 K HN 0.117 nan 8.250 nan 0.000 0.468 323 E N 0.470 120.597 120.200 -0.123 0.000 2.605 323 E HA 0.081 4.431 4.350 -0.000 0.000 0.255 323 E C -0.198 176.322 176.600 -0.132 0.000 1.369 323 E CA -0.315 56.016 56.400 -0.115 0.000 1.017 323 E CB 0.216 29.867 29.700 -0.081 0.000 1.086 323 E HN 0.689 nan 8.360 nan 0.000 0.605 324 A N 0.442 123.196 122.820 -0.109 0.000 2.407 324 A HA -0.090 4.230 4.320 -0.000 0.000 0.303 324 A C 1.198 178.722 177.584 -0.100 0.000 0.910 324 A CA 1.602 53.578 52.037 -0.101 0.000 1.219 324 A CB -0.756 18.198 19.000 -0.076 0.000 0.726 324 A HN 0.637 nan 8.150 nan 0.000 0.375 325 K N 1.639 121.972 120.400 -0.111 0.000 2.361 325 K HA 0.483 4.803 4.320 -0.000 0.000 0.196 325 K C 0.630 177.225 176.600 -0.008 0.000 1.039 325 K CA 1.243 57.499 56.287 -0.051 0.000 1.001 325 K CB 0.240 32.715 32.500 -0.041 0.000 0.795 325 K HN 1.987 nan 8.250 nan 0.000 0.495 326 V N -0.106 119.781 119.914 -0.044 0.000 2.859 326 V HA 0.433 4.553 4.120 -0.000 0.000 0.276 326 V C -2.009 174.024 176.094 -0.101 0.000 1.496 326 V CA -0.334 61.907 62.300 -0.098 0.000 0.929 326 V CB 1.474 33.200 31.823 -0.161 0.000 1.147 326 V HN 0.343 nan 8.190 nan 0.000 0.449 327 S N 5.920 121.556 115.700 -0.108 0.000 2.536 327 S HA 0.959 5.429 4.470 -0.000 0.000 0.298 327 S C -0.779 173.757 174.600 -0.107 0.000 1.083 327 S CA -0.376 57.769 58.200 -0.092 0.000 0.995 327 S CB 1.898 65.055 63.200 -0.071 0.000 1.058 327 S HN 0.944 nan 8.310 nan 0.000 0.488 328 K N 0.970 121.315 120.400 -0.092 0.000 2.735 328 K HA 0.339 4.659 4.320 -0.000 0.000 0.295 328 K C -1.669 174.893 176.600 -0.063 0.000 1.052 328 K CA -0.647 55.587 56.287 -0.088 0.000 0.853 328 K CB 1.129 33.552 32.500 -0.129 0.000 1.535 328 K HN 0.529 nan 8.250 nan 0.000 0.383 329 R N 1.939 122.411 120.500 -0.048 0.000 2.664 329 R HA 0.222 4.562 4.340 -0.000 0.000 0.281 329 R C -1.229 175.057 176.300 -0.024 0.000 1.383 329 R CA -0.118 55.963 56.100 -0.032 0.000 1.563 329 R CB 0.508 30.795 30.300 -0.022 0.000 1.131 329 R HN 0.598 nan 8.270 nan 0.000 0.599 330 E N 0.206 120.387 120.200 -0.032 0.000 2.429 330 E HA 0.077 4.427 4.350 -0.000 0.000 0.277 330 E C -0.838 175.732 176.600 -0.051 0.000 1.130 330 E CA -0.951 55.432 56.400 -0.028 0.000 0.875 330 E CB 0.576 30.271 29.700 -0.009 0.000 1.443 330 E HN 0.161 nan 8.360 nan 0.000 0.444 331 K N -0.398 119.959 120.400 -0.073 0.000 2.358 331 K HA 0.527 4.846 4.320 -0.000 0.000 0.197 331 K C 0.251 176.727 176.600 -0.207 0.000 1.025 331 K CA 0.270 56.474 56.287 -0.138 0.000 1.104 331 K CB 0.980 33.381 32.500 -0.165 0.000 0.855 331 K HN 0.417 nan 8.250 nan 0.000 0.531 332 A N 1.512 124.260 122.820 -0.119 0.000 3.127 332 A HA 0.389 4.709 4.320 -0.000 0.000 0.319 332 A C -0.923 176.713 177.584 0.086 0.000 1.104 332 A CA -0.581 51.408 52.037 -0.079 0.000 0.802 332 A CB 0.760 19.691 19.000 -0.114 0.000 1.193 332 A HN 0.042 nan 8.150 nan 0.000 0.479 333 V N 1.245 121.186 119.914 0.046 0.000 2.973 333 V HA 0.791 4.911 4.120 -0.000 0.000 0.314 333 V C -0.366 175.811 176.094 0.139 0.000 1.066 333 V CA -0.131 62.178 62.300 0.015 0.000 1.021 333 V CB 1.717 33.449 31.823 -0.152 0.000 1.076 333 V HN 0.959 nan 8.190 nan 0.000 0.462 334 W N 1.745 123.036 121.300 -0.015 0.000 3.033 334 W HA 0.786 5.446 4.660 -0.000 0.000 0.336 334 W C -1.926 174.593 176.519 -0.000 0.000 1.173 334 W CA -1.121 56.214 57.345 -0.018 0.000 1.185 334 W CB 1.437 30.883 29.460 -0.024 0.000 1.425 334 W HN 0.257 nan 8.180 nan 0.000 0.536 335 V N 4.543 124.494 119.914 0.062 0.000 2.443 335 V HA 0.251 4.371 4.120 -0.000 0.000 0.272 335 V C -0.085 176.047 176.094 0.065 0.000 1.002 335 V CA -0.915 61.390 62.300 0.009 0.000 0.840 335 V CB 0.532 32.361 31.823 0.010 0.000 1.042 335 V HN 0.765 nan 8.190 nan 0.000 0.446 336 L N 2.966 124.304 121.223 0.191 0.000 2.367 336 L HA 0.620 4.960 4.340 -0.000 0.000 0.275 336 L C 0.474 177.382 176.870 0.063 0.000 1.129 336 L CA 0.383 55.305 54.840 0.135 0.000 0.839 336 L CB 0.395 42.570 42.059 0.193 0.000 1.133 336 L HN 0.684 nan 8.230 nan 0.000 0.453 337 N N 2.261 120.968 118.700 0.011 0.000 2.531 337 N HA -0.097 4.643 4.740 -0.000 0.000 0.279 337 N C -2.597 172.920 175.510 0.013 0.000 1.267 337 N CA 0.585 53.641 53.050 0.011 0.000 0.663 337 N CB -0.604 37.909 38.487 0.043 0.000 0.886 337 N HN 0.691 nan 8.380 nan 0.000 0.544 338 P HA 0.421 nan 4.420 nan 0.000 0.284 338 P C -0.713 176.666 177.300 0.132 0.000 1.287 338 P CA -0.286 62.781 63.100 -0.056 0.000 0.824 338 P CB 0.963 32.269 31.700 -0.655 0.000 1.180 339 E N -0.434 120.000 120.200 0.389 0.000 2.317 339 E HA 0.531 4.881 4.350 -0.000 0.000 0.270 339 E C -0.931 175.883 176.600 0.357 0.000 0.885 339 E CA -1.279 55.283 56.400 0.271 0.000 0.760 339 E CB 1.972 31.788 29.700 0.194 0.000 1.227 339 E HN 0.471 nan 8.360 nan 0.000 0.434 340 A N 1.516 124.458 122.820 0.204 0.000 2.592 340 A HA 0.387 4.707 4.320 -0.000 0.000 0.250 340 A C 0.644 178.349 177.584 0.202 0.000 1.017 340 A CA 1.353 53.499 52.037 0.182 0.000 0.794 340 A CB -0.971 18.089 19.000 0.100 0.000 0.917 340 A HN 1.030 nan 8.150 nan 0.000 0.515 341 G N 1.824 110.772 108.800 0.247 0.000 2.358 341 G HA2 0.425 4.385 3.960 -0.000 0.000 0.301 341 G HA3 0.425 4.385 3.960 -0.000 0.000 0.301 341 G C -0.634 174.430 174.900 0.273 0.000 1.539 341 G CA -0.885 44.318 45.100 0.170 0.000 0.893 341 G HN 0.691 nan 8.290 nan 0.000 0.636 342 M N 1.406 121.093 119.600 0.145 0.000 2.974 342 M HA 0.221 4.701 4.480 -0.000 0.000 0.301 342 M C -0.456 175.952 176.300 0.180 0.000 1.409 342 M CA -0.235 55.164 55.300 0.166 0.000 1.515 342 M CB -0.279 32.373 32.600 0.086 0.000 1.163 342 M HN 0.446 nan 8.290 nan 0.000 0.520 343 W N 2.674 123.973 121.300 -0.002 0.000 2.274 343 W HA 0.029 4.689 4.660 -0.000 0.000 0.345 343 W C 0.450 176.966 176.519 -0.005 0.000 1.265 343 W CA 0.370 57.712 57.345 -0.005 0.000 1.293 343 W CB 0.134 29.593 29.460 -0.003 0.000 1.175 343 W HN 0.451 nan 8.180 nan 0.000 0.577 344 Q N 2.325 122.226 119.800 0.168 0.000 2.330 344 Q HA 0.399 4.739 4.340 -0.000 0.000 0.269 344 Q C -1.038 175.022 176.000 0.101 0.000 1.022 344 Q CA -0.885 54.975 55.803 0.095 0.000 0.796 344 Q CB 2.388 31.138 28.738 0.019 0.000 1.271 344 Q HN 0.465 nan 8.270 nan 0.000 0.450 345 C N 3.868 123.220 119.300 0.087 0.000 2.330 345 C HA 0.697 5.157 4.460 -0.000 0.000 0.344 345 C C -1.104 173.901 174.990 0.025 0.000 1.273 345 C CA -0.312 58.745 59.018 0.065 0.000 1.879 345 C CB -0.413 27.365 27.740 0.063 0.000 2.376 345 C HN 0.692 nan 8.230 nan 0.000 0.534 346 L N 6.912 128.137 121.223 0.002 0.000 2.381 346 L HA 0.617 4.957 4.340 -0.000 0.000 0.274 346 L C -0.434 176.411 176.870 -0.041 0.000 0.988 346 L CA -0.180 54.646 54.840 -0.023 0.000 0.824 346 L CB 1.556 43.596 42.059 -0.032 0.000 1.263 346 L HN 0.518 nan 8.230 nan 0.000 0.410 347 L N 2.331 123.518 121.223 -0.060 0.000 2.341 347 L HA 0.787 5.127 4.340 -0.000 0.000 0.278 347 L C -0.310 176.485 176.870 -0.126 0.000 1.005 347 L CA 0.449 55.237 54.840 -0.085 0.000 0.818 347 L CB 1.727 43.735 42.059 -0.086 0.000 1.259 347 L HN 0.812 nan 8.230 nan 0.000 0.418 348 S N 3.427 119.059 115.700 -0.112 0.000 4.294 348 S HA 0.661 5.131 4.470 -0.000 0.000 0.254 348 S C -1.890 172.656 174.600 -0.091 0.000 1.087 348 S CA -0.064 58.066 58.200 -0.116 0.000 1.452 348 S CB 1.067 64.219 63.200 -0.080 0.000 1.502 348 S HN 0.821 nan 8.310 nan 0.000 0.698 349 D N -1.092 119.272 120.400 -0.059 0.000 2.369 349 D HA 0.291 4.931 4.640 -0.000 0.000 0.164 349 D C 0.181 176.465 176.300 -0.026 0.000 0.891 349 D CA 0.997 54.977 54.000 -0.034 0.000 1.027 349 D CB -0.040 40.746 40.800 -0.023 0.000 4.453 349 D HN 0.764 nan 8.370 nan 0.000 0.493 350 S N 1.721 117.410 115.700 -0.019 0.000 2.859 350 S HA -0.267 4.203 4.470 -0.000 0.000 0.245 350 S C 1.480 176.068 174.600 -0.020 0.000 1.352 350 S CA 2.109 60.300 58.200 -0.015 0.000 2.857 350 S CB -1.662 61.533 63.200 -0.008 0.000 1.421 350 S HN 1.613 nan 8.310 nan 0.000 0.495 351 G N 1.184 109.970 108.800 -0.023 0.000 3.990 351 G HA2 0.258 4.218 3.960 -0.000 0.000 0.204 351 G HA3 0.258 4.218 3.960 -0.000 0.000 0.204 351 G C -0.229 174.653 174.900 -0.030 0.000 1.420 351 G CA 0.414 45.499 45.100 -0.026 0.000 0.942 351 G HN 0.686 nan 8.290 nan 0.000 0.606 352 Q N 2.107 121.891 119.800 -0.027 0.000 2.255 352 Q HA 0.392 4.731 4.340 -0.000 0.000 0.280 352 Q C 0.161 176.132 176.000 -0.049 0.000 1.068 352 Q CA -0.278 55.508 55.803 -0.028 0.000 0.911 352 Q CB 0.877 29.606 28.738 -0.015 0.000 1.157 352 Q HN 0.159 nan 8.270 nan 0.000 0.380 353 V N 6.658 126.543 119.914 -0.049 0.000 2.509 353 V HA -0.147 3.973 4.120 -0.000 0.000 0.297 353 V C 1.309 177.344 176.094 -0.098 0.000 1.014 353 V CA 0.594 62.854 62.300 -0.066 0.000 1.127 353 V CB -0.189 31.607 31.823 -0.046 0.000 0.925 353 V HN 0.885 nan 8.190 nan 0.000 0.480 354 L N 4.172 125.295 121.223 -0.168 0.000 2.255 354 L HA 0.311 4.651 4.340 -0.000 0.000 0.196 354 L C 0.517 177.256 176.870 -0.218 0.000 1.202 354 L CA 0.411 55.060 54.840 -0.318 0.000 0.819 354 L CB 0.050 41.758 42.059 -0.585 0.000 1.006 354 L HN 0.409 nan 8.230 nan 0.000 0.480 355 L N 0.277 121.391 121.223 -0.181 0.000 2.295 355 L HA 0.311 4.651 4.340 -0.000 0.000 0.285 355 L C -0.466 176.390 176.870 -0.023 0.000 1.035 355 L CA 0.072 54.878 54.840 -0.057 0.000 0.806 355 L CB 1.569 43.617 42.059 -0.017 0.000 1.214 355 L HN 0.155 nan 8.230 nan 0.000 0.426 356 E N 1.571 121.774 120.200 0.006 0.000 2.241 356 E HA 0.483 4.833 4.350 -0.000 0.000 0.263 356 E C -1.524 175.095 176.600 0.031 0.000 0.882 356 E CA -0.337 56.070 56.400 0.012 0.000 0.769 356 E CB 1.686 31.389 29.700 0.006 0.000 1.185 356 E HN 0.479 nan 8.360 nan 0.000 0.415 357 S N 3.186 118.910 115.700 0.041 0.000 2.789 357 S HA 0.361 4.831 4.470 -0.000 0.000 0.286 357 S C -0.834 173.804 174.600 0.065 0.000 1.153 357 S CA -0.844 57.387 58.200 0.052 0.000 1.084 357 S CB 0.846 64.082 63.200 0.060 0.000 1.036 357 S HN 0.484 nan 8.310 nan 0.000 0.484 358 N N 1.809 120.545 118.700 0.060 0.000 2.530 358 N HA 0.763 5.503 4.740 -0.000 0.000 0.277 358 N C -0.732 174.826 175.510 0.080 0.000 1.168 358 N CA -0.255 52.840 53.050 0.076 0.000 0.979 358 N CB 0.704 39.226 38.487 0.058 0.000 1.141 358 N HN 0.603 nan 8.380 nan 0.000 0.459 359 I N -0.357 120.279 120.570 0.110 0.000 2.771 359 I HA 0.239 4.409 4.170 -0.000 0.000 0.291 359 I C -1.649 174.544 176.117 0.126 0.000 1.527 359 I CA -0.651 60.702 61.300 0.088 0.000 1.024 359 I CB 1.293 39.328 38.000 0.058 0.000 1.388 359 I HN 0.549 nan 8.210 nan 0.000 0.447 360 K N 5.641 126.091 120.400 0.084 0.000 2.185 360 K HA 0.905 5.225 4.320 -0.000 0.000 0.240 360 K C -1.430 175.187 176.600 0.028 0.000 0.983 360 K CA -0.957 55.396 56.287 0.110 0.000 0.873 360 K CB 2.134 34.694 32.500 0.099 0.000 1.118 360 K HN 0.276 nan 8.250 nan 0.000 0.441 361 V N 2.099 122.045 119.914 0.054 0.000 2.715 361 V HA 0.210 4.330 4.120 -0.000 0.000 0.310 361 V C 1.105 177.216 176.094 0.028 0.000 1.054 361 V CA -0.887 61.399 62.300 -0.024 0.000 0.928 361 V CB 1.369 33.141 31.823 -0.085 0.000 1.007 361 V HN 0.766 nan 8.190 nan 0.000 0.437 362 L N 1.817 123.042 121.223 0.003 0.000 2.004 362 L HA 0.245 4.585 4.340 -0.000 0.000 0.205 362 L C -0.747 176.137 176.870 0.023 0.000 1.089 362 L CA 0.153 55.001 54.840 0.014 0.000 0.756 362 L CB -2.121 39.939 42.059 0.001 0.000 0.900 362 L HN 0.478 nan 8.230 nan 0.000 0.440 363 P HA 0.000 nan 4.420 nan 0.000 0.216 363 P CA 0.000 63.114 63.100 0.023 0.000 0.800 363 P CB 0.000 31.710 31.700 0.017 0.000 0.726