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 1toj_1_A DATA FIRST_RESID 5 DATA SEQUENCE MFENITATTA DPILGLADLF RADERPGKID LGIGVYKDET GKTPVLTSVK DATA SEQUENCE KAEQYLLENE XTTKNYLGID GIPEFGRCTQ ELLFGKGSAL INDKRARTAQ DATA SEQUENCE TPGGSGALRV AADFLAKNTS VKXXRXXXVW VSNPSWPNHK SVFNSAGLXE DATA SEQUENCE VREYAYYDAE NHTLDFDALI NSLNEAQAGD VVLFHGCCHN PTGIDPTLEQ DATA SEQUENCE WQTLAQLSVE KGWLPLFDFA YQGFARGXLE EDAEGLRAFA AMHKELIVAS DATA SEQUENCE SYSXNFALYN ERVGACTLVA ADSETVDRAF GQMKAAIRAN YSSPPAHGAS DATA SEQUENCE VVATILSNDA LRAIWEQELT DMRQRIQRMR QLFVNTLQEK GANRDFSFII DATA SEQUENCE KQNGMFSFSG LTKEQVLRLR EEFGVYAVAS GRVNVAGMTP DNMAPLCEAI DATA SEQUENCE VXAVL 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 5 M HA 0.000 nan 4.480 nan 0.000 0.227 5 M C 0.000 176.293 176.300 -0.012 0.000 1.140 5 M CA 0.000 55.156 55.300 -0.240 0.000 0.988 5 M CB 0.000 32.325 32.600 -0.459 0.000 1.302 6 F N 1.572 121.521 119.950 -0.002 0.000 2.695 6 F HA 0.310 4.841 4.527 0.006 0.000 0.303 6 F C 1.805 177.603 175.800 -0.003 0.000 1.091 6 F CA 0.099 58.098 58.000 -0.003 0.000 1.300 6 F CB -0.555 38.443 39.000 -0.002 0.000 1.071 6 F HN 0.097 nan 8.300 nan 0.000 0.578 7 E N 0.582 120.864 120.200 0.138 0.000 2.130 7 E HA -0.178 4.175 4.350 0.005 0.000 0.196 7 E C 1.104 177.744 176.600 0.068 0.000 0.998 7 E CA 1.384 57.831 56.400 0.080 0.000 0.806 7 E CB -0.268 29.452 29.700 0.034 0.000 0.738 7 E HN 0.210 nan 8.360 nan 0.000 0.459 8 N N 0.029 118.770 118.700 0.069 0.000 2.214 8 N HA 0.147 4.890 4.740 0.005 0.000 0.214 8 N C -0.290 175.248 175.510 0.046 0.000 1.132 8 N CA -0.032 53.046 53.050 0.047 0.000 0.856 8 N CB 0.577 39.085 38.487 0.034 0.000 1.020 8 N HN 0.151 nan 8.380 nan 0.000 0.509 9 I N 1.177 121.784 120.570 0.062 0.000 2.683 9 I HA -0.081 4.092 4.170 0.005 0.000 0.286 9 I C 1.166 177.293 176.117 0.016 0.000 1.175 9 I CA 0.491 61.813 61.300 0.038 0.000 1.429 9 I CB 0.540 38.556 38.000 0.027 0.000 1.371 9 I HN -0.095 nan 8.210 nan 0.000 0.569 10 T N 5.951 120.508 114.554 0.006 0.000 2.884 10 T HA 0.438 4.791 4.350 0.005 0.000 0.298 10 T C 0.243 174.937 174.700 -0.011 0.000 0.998 10 T CA -0.736 61.364 62.100 -0.001 0.000 1.124 10 T CB 0.502 69.368 68.868 -0.003 0.000 0.931 10 T HN 0.671 nan 8.240 nan 0.000 0.531 11 A N 3.914 126.728 122.820 -0.010 0.000 2.425 11 A HA 0.533 4.856 4.320 0.005 0.000 0.242 11 A C 0.667 178.239 177.584 -0.020 0.000 1.077 11 A CA -0.216 51.812 52.037 -0.016 0.000 0.781 11 A CB 0.242 19.235 19.000 -0.012 0.000 1.020 11 A HN 0.887 nan 8.150 nan 0.000 0.494 12 T N -0.137 114.402 114.554 -0.026 0.000 2.916 12 T HA 0.637 4.990 4.350 0.005 0.000 0.292 12 T C 0.121 174.804 174.700 -0.029 0.000 1.055 12 T CA 0.092 62.174 62.100 -0.029 0.000 1.009 12 T CB 0.924 69.770 68.868 -0.036 0.000 1.118 12 T HN 1.035 nan 8.240 nan 0.000 0.497 13 T N 1.523 116.058 114.554 -0.031 0.000 2.904 13 T HA 0.701 5.054 4.350 0.005 0.000 0.290 13 T C 0.576 175.252 174.700 -0.039 0.000 1.018 13 T CA -0.720 61.362 62.100 -0.030 0.000 1.075 13 T CB 0.825 69.675 68.868 -0.030 0.000 0.986 13 T HN 0.852 nan 8.240 nan 0.000 0.523 14 A N 1.513 124.312 122.820 -0.035 0.000 2.346 14 A HA 0.303 4.626 4.320 0.005 0.000 0.252 14 A C 0.653 178.202 177.584 -0.059 0.000 1.089 14 A CA -0.629 51.383 52.037 -0.041 0.000 0.797 14 A CB -0.129 18.855 19.000 -0.027 0.000 1.047 14 A HN 0.972 nan 8.150 nan 0.000 0.494 15 D N 1.064 121.420 120.400 -0.074 0.000 2.662 15 D HA -0.026 4.617 4.640 0.005 0.000 0.233 15 D C -1.452 174.793 176.300 -0.091 0.000 1.129 15 D CA -0.553 53.384 54.000 -0.105 0.000 0.851 15 D CB 0.794 41.528 40.800 -0.110 0.000 1.152 15 D HN 0.222 nan 8.370 nan 0.000 0.507 16 P HA 0.058 nan 4.420 nan 0.000 0.245 16 P C 1.092 178.349 177.300 -0.071 0.000 1.212 16 P CA 0.396 63.447 63.100 -0.080 0.000 0.774 16 P CB 0.441 32.084 31.700 -0.095 0.000 0.999 17 I N -1.734 118.781 120.570 -0.091 0.000 3.518 17 I HA 0.015 4.189 4.170 0.005 0.000 0.260 17 I C 1.933 178.031 176.117 -0.033 0.000 1.148 17 I CA 0.013 61.279 61.300 -0.058 0.000 1.440 17 I CB -0.435 37.519 38.000 -0.077 0.000 1.485 17 I HN -0.245 nan 8.210 nan 0.000 0.456 18 L N 1.387 122.580 121.223 -0.050 0.000 2.127 18 L HA -0.101 4.242 4.340 0.005 0.000 0.211 18 L C 2.403 179.261 176.870 -0.020 0.000 1.089 18 L CA 1.972 56.792 54.840 -0.033 0.000 0.757 18 L CB -1.014 41.020 42.059 -0.042 0.000 0.899 18 L HN 0.292 nan 8.230 nan 0.000 0.434 19 G N -1.349 107.439 108.800 -0.021 0.000 2.443 19 G HA2 -0.173 3.790 3.960 0.005 0.000 0.219 19 G HA3 -0.173 3.790 3.960 0.005 0.000 0.219 19 G C 1.657 176.579 174.900 0.036 0.000 1.131 19 G CA 0.272 45.372 45.100 -0.000 0.000 0.775 19 G HN 0.315 nan 8.290 nan 0.000 0.547 20 L N 0.558 121.810 121.223 0.048 0.000 2.079 20 L HA -0.162 4.181 4.340 0.005 0.000 0.210 20 L C 3.390 180.309 176.870 0.081 0.000 1.081 20 L CA 0.975 55.881 54.840 0.110 0.000 0.752 20 L CB -0.369 41.756 42.059 0.109 0.000 0.896 20 L HN 0.335 nan 8.230 nan 0.000 0.433 21 A N -0.015 122.820 122.820 0.025 0.000 1.892 21 A HA -0.290 4.034 4.320 0.005 0.000 0.218 21 A C 1.923 179.538 177.584 0.051 0.000 1.188 21 A CA 2.306 54.354 52.037 0.018 0.000 0.631 21 A CB -0.583 18.412 19.000 -0.007 0.000 0.822 21 A HN 0.368 nan 8.150 nan 0.000 0.447 22 D N -0.429 119.995 120.400 0.040 0.000 2.097 22 D HA -0.091 4.552 4.640 0.005 0.000 0.195 22 D C 1.876 178.202 176.300 0.044 0.000 0.989 22 D CA 1.024 55.044 54.000 0.032 0.000 0.827 22 D CB -0.378 40.436 40.800 0.023 0.000 0.966 22 D HN 0.251 nan 8.370 nan 0.000 0.456 23 L N 0.110 121.386 121.223 0.090 0.000 1.990 23 L HA -0.169 4.174 4.340 0.005 0.000 0.213 23 L C 2.284 179.197 176.870 0.072 0.000 1.072 23 L CA 1.321 56.254 54.840 0.156 0.000 0.755 23 L CB -1.184 41.064 42.059 0.315 0.000 0.889 23 L HN 0.042 nan 8.230 nan 0.000 0.432 24 F N 0.295 120.084 119.950 -0.268 0.000 2.161 24 F HA -0.221 4.309 4.527 0.005 0.000 0.300 24 F C 2.587 178.216 175.800 -0.286 0.000 1.089 24 F CA 1.387 59.013 58.000 -0.624 0.000 1.282 24 F CB -0.157 38.428 39.000 -0.691 0.000 1.010 24 F HN 0.005 nan 8.300 nan 0.000 0.485 25 R N 0.360 120.796 120.500 -0.106 0.000 2.081 25 R HA -0.068 4.275 4.340 0.005 0.000 0.235 25 R C 2.328 178.540 176.300 -0.147 0.000 1.131 25 R CA 1.280 57.309 56.100 -0.119 0.000 0.960 25 R CB -1.497 28.789 30.300 -0.023 0.000 0.856 25 R HN 0.386 nan 8.270 nan 0.000 0.436 26 A N 1.321 124.084 122.820 -0.096 0.000 2.119 26 A HA -0.085 4.238 4.320 0.005 0.000 0.217 26 A C 0.696 178.228 177.584 -0.086 0.000 1.153 26 A CA 0.228 52.225 52.037 -0.066 0.000 0.692 26 A CB -0.218 18.770 19.000 -0.019 0.000 0.799 26 A HN 0.100 nan 8.150 nan 0.000 0.458 27 D N 0.695 121.009 120.400 -0.143 0.000 2.346 27 D HA 0.106 4.749 4.640 0.005 0.000 0.260 27 D C 0.458 176.654 176.300 -0.173 0.000 1.252 27 D CA 0.190 54.111 54.000 -0.131 0.000 0.895 27 D CB 0.522 41.233 40.800 -0.149 0.000 1.097 27 D HN 0.455 nan 8.370 nan 0.000 0.489 28 E N 2.577 122.717 120.200 -0.100 0.000 2.479 28 E HA 0.036 4.390 4.350 0.005 0.000 0.193 28 E C 0.164 176.718 176.600 -0.077 0.000 1.049 28 E CA -0.099 56.247 56.400 -0.090 0.000 0.870 28 E CB 0.536 30.201 29.700 -0.059 0.000 0.944 28 E HN 0.255 nan 8.360 nan 0.000 0.492 29 R N 1.470 121.928 120.500 -0.071 0.000 2.442 29 R HA 0.047 4.391 4.340 0.005 0.000 0.291 29 R C -1.694 174.575 176.300 -0.051 0.000 1.069 29 R CA -1.219 54.855 56.100 -0.043 0.000 1.022 29 R CB 0.243 30.535 30.300 -0.014 0.000 0.976 29 R HN -0.057 nan 8.270 nan 0.000 0.443 30 P HA -0.096 nan 4.420 nan 0.000 0.217 30 P C 0.930 178.230 177.300 -0.000 0.000 1.150 30 P CA 0.984 64.070 63.100 -0.022 0.000 0.832 30 P CB 0.277 31.971 31.700 -0.009 0.000 0.787 31 G N 0.016 108.830 108.800 0.023 0.000 3.262 31 G HA2 -0.007 3.956 3.960 0.005 0.000 0.228 31 G HA3 -0.007 3.956 3.960 0.005 0.000 0.228 31 G C 0.181 175.137 174.900 0.093 0.000 1.197 31 G CA -0.357 44.776 45.100 0.055 0.000 0.819 31 G HN 0.343 nan 8.290 nan 0.000 0.531 32 K N 0.142 120.587 120.400 0.076 0.000 2.414 32 K HA 0.373 4.696 4.320 0.005 0.000 0.272 32 K C -0.766 176.022 176.600 0.312 0.000 0.993 32 K CA 0.066 56.453 56.287 0.167 0.000 0.964 32 K CB 1.043 33.511 32.500 -0.054 0.000 0.925 32 K HN 0.029 nan 8.250 nan 0.000 0.487 33 I N 1.744 122.574 120.570 0.433 0.000 2.499 33 I HA 0.088 4.261 4.170 0.005 0.000 0.288 33 I C -1.069 175.184 176.117 0.226 0.000 1.048 33 I CA -0.985 60.489 61.300 0.291 0.000 1.062 33 I CB 1.983 40.072 38.000 0.148 0.000 1.238 33 I HN 0.710 nan 8.210 nan 0.000 0.426 34 D N 7.533 127.818 120.400 -0.192 0.000 2.396 34 D HA 0.342 4.985 4.640 0.005 0.000 0.225 34 D C -0.136 176.005 176.300 -0.264 0.000 1.121 34 D CA -0.028 53.610 54.000 -0.603 0.000 0.853 34 D CB 0.948 40.922 40.800 -1.377 0.000 1.043 34 D HN 0.435 nan 8.370 nan 0.000 0.500 35 L N 3.296 124.457 121.223 -0.103 0.000 3.141 35 L HA 0.409 4.752 4.340 0.005 0.000 0.267 35 L C 1.445 178.316 176.870 0.003 0.000 1.281 35 L CA -0.563 54.240 54.840 -0.062 0.000 1.037 35 L CB 0.967 42.996 42.059 -0.050 0.000 1.407 35 L HN 0.407 nan 8.230 nan 0.000 0.566 36 G N 0.580 109.363 108.800 -0.029 0.000 2.722 36 G HA2 0.264 4.228 3.960 0.005 0.000 0.201 36 G HA3 0.264 4.228 3.960 0.005 0.000 0.201 36 G C 0.549 175.488 174.900 0.065 0.000 1.926 36 G CA -0.468 44.646 45.100 0.023 0.000 0.872 36 G HN 0.076 nan 8.290 nan 0.000 0.581 37 I N 2.311 122.892 120.570 0.019 0.000 2.845 37 I HA 0.133 4.307 4.170 0.005 0.000 0.296 37 I C 1.296 177.489 176.117 0.126 0.000 1.216 37 I CA 0.253 61.592 61.300 0.066 0.000 1.438 37 I CB 0.593 38.584 38.000 -0.015 0.000 1.342 37 I HN 0.249 nan 8.210 nan 0.000 0.577 38 G N 6.904 115.883 108.800 0.299 0.000 2.985 38 G HA2 0.417 4.380 3.960 0.005 0.000 0.282 38 G HA3 0.417 4.380 3.960 0.005 0.000 0.282 38 G C -0.112 174.816 174.900 0.048 0.000 0.791 38 G CA -0.263 45.006 45.100 0.282 0.000 1.934 38 G HN 0.535 nan 8.290 nan 0.000 0.563 39 V N 0.448 120.297 119.914 -0.108 0.000 2.715 39 V HA 0.671 4.794 4.120 0.005 0.000 0.310 39 V C -0.486 175.576 176.094 -0.053 0.000 1.054 39 V CA -1.954 60.199 62.300 -0.246 0.000 0.928 39 V CB 1.446 32.884 31.823 -0.642 0.000 1.007 39 V HN 0.411 nan 8.190 nan 0.000 0.437 40 Y N 3.257 123.581 120.300 0.040 0.000 2.359 40 Y HA 0.530 5.084 4.550 0.007 0.000 0.330 40 Y C 0.343 176.262 175.900 0.032 0.000 1.143 40 Y CA 0.123 58.251 58.100 0.047 0.000 1.318 40 Y CB 0.785 39.347 38.460 0.171 0.000 1.234 40 Y HN 0.763 nan 8.280 nan 0.000 0.522 41 K N 4.967 124.909 120.400 -0.763 0.000 2.259 41 K HA 0.226 4.550 4.320 0.005 0.000 0.249 41 K C -0.916 175.115 176.600 -0.948 0.000 0.942 41 K CA -1.062 54.862 56.287 -0.605 0.000 0.816 41 K CB 1.361 33.660 32.500 -0.334 0.000 1.155 41 K HN 0.766 nan 8.250 nan 0.000 0.428 42 D N 0.259 120.418 120.400 -0.402 0.000 2.478 42 D HA -0.007 4.637 4.640 0.005 0.000 0.274 42 D C 0.755 176.977 176.300 -0.129 0.000 1.234 42 D CA -0.214 53.683 54.000 -0.172 0.000 1.069 42 D CB 0.449 41.292 40.800 0.072 0.000 1.113 42 D HN 0.435 nan 8.370 nan 0.000 0.571 43 E N -1.356 118.823 120.200 -0.035 0.000 2.219 43 E HA -0.178 4.175 4.350 0.005 0.000 0.198 43 E C 1.525 178.106 176.600 -0.032 0.000 0.998 43 E CA 1.929 58.312 56.400 -0.027 0.000 0.818 43 E CB -0.214 29.489 29.700 0.005 0.000 0.741 43 E HN 0.717 nan 8.360 nan 0.000 0.477 44 T N -3.560 110.979 114.554 -0.025 0.000 3.129 44 T HA 0.231 4.585 4.350 0.005 0.000 0.251 44 T C 1.323 176.004 174.700 -0.030 0.000 1.117 44 T CA 0.597 62.687 62.100 -0.017 0.000 1.034 44 T CB 0.518 69.385 68.868 -0.001 0.000 0.968 44 T HN 0.215 nan 8.240 nan 0.000 0.526 45 G N 0.779 109.541 108.800 -0.063 0.000 2.143 45 G HA2 -0.226 3.737 3.960 0.005 0.000 0.248 45 G HA3 -0.226 3.737 3.960 0.005 0.000 0.248 45 G C -0.091 174.769 174.900 -0.066 0.000 0.991 45 G CA 0.318 45.372 45.100 -0.077 0.000 0.689 45 G HN 0.792 nan 8.290 nan 0.000 0.522 46 K N 0.184 120.552 120.400 -0.052 0.000 2.258 46 K HA 0.800 5.123 4.320 0.005 0.000 0.236 46 K C 0.223 176.811 176.600 -0.021 0.000 1.008 46 K CA -0.222 56.049 56.287 -0.026 0.000 0.869 46 K CB 1.417 33.921 32.500 0.007 0.000 1.171 46 K HN 0.313 nan 8.250 nan 0.000 0.447 47 T N 2.665 117.230 114.554 0.018 0.000 3.042 47 T HA 0.499 4.852 4.350 0.005 0.000 0.356 47 T C -2.263 172.527 174.700 0.150 0.000 1.233 47 T CA -1.666 60.488 62.100 0.091 0.000 1.038 47 T CB 0.242 69.148 68.868 0.063 0.000 1.089 47 T HN 0.379 nan 8.240 nan 0.000 0.531 48 P HA 0.326 nan 4.420 nan 0.000 0.274 48 P C -0.259 177.147 177.300 0.175 0.000 1.237 48 P CA -0.479 62.711 63.100 0.149 0.000 0.793 48 P CB 0.834 32.618 31.700 0.139 0.000 0.977 49 V N 2.472 122.470 119.914 0.140 0.000 2.614 49 V HA 0.043 4.166 4.120 0.005 0.000 0.291 49 V C 1.121 177.289 176.094 0.124 0.000 1.049 49 V CA -0.386 61.995 62.300 0.136 0.000 1.038 49 V CB 0.052 31.942 31.823 0.112 0.000 0.980 49 V HN 0.364 nan 8.190 nan 0.000 0.481 50 L N 3.932 125.232 121.223 0.128 0.000 2.483 50 L HA 0.074 4.417 4.340 0.005 0.000 0.275 50 L C 1.792 178.720 176.870 0.097 0.000 1.220 50 L CA 0.092 54.999 54.840 0.111 0.000 0.833 50 L CB 0.260 42.398 42.059 0.131 0.000 1.102 50 L HN 0.759 nan 8.230 nan 0.000 0.490 51 T N -0.264 114.335 114.554 0.076 0.000 2.746 51 T HA -0.165 4.188 4.350 0.005 0.000 0.267 51 T C 1.963 176.706 174.700 0.071 0.000 1.039 51 T CA 1.695 63.834 62.100 0.064 0.000 1.142 51 T CB -0.092 68.803 68.868 0.046 0.000 0.866 51 T HN 0.882 nan 8.240 nan 0.000 0.444 52 S N 1.417 117.170 115.700 0.088 0.000 2.370 52 S HA -0.123 4.351 4.470 0.005 0.000 0.226 52 S C 2.157 176.812 174.600 0.092 0.000 1.033 52 S CA 1.196 59.457 58.200 0.101 0.000 1.011 52 S CB -1.049 62.253 63.200 0.170 0.000 0.852 52 S HN 0.301 nan 8.310 nan 0.000 0.457 53 V N 2.438 122.420 119.914 0.113 0.000 2.295 53 V HA -0.137 3.986 4.120 0.005 0.000 0.246 53 V C 2.856 178.991 176.094 0.069 0.000 1.049 53 V CA 1.861 64.215 62.300 0.089 0.000 1.024 53 V CB -0.632 31.261 31.823 0.117 0.000 0.648 53 V HN 0.410 nan 8.190 nan 0.000 0.447 54 K N 0.352 120.799 120.400 0.078 0.000 2.103 54 K HA -0.194 4.129 4.320 0.005 0.000 0.207 54 K C 2.126 178.767 176.600 0.068 0.000 1.048 54 K CA 1.496 57.828 56.287 0.073 0.000 0.930 54 K CB -0.360 32.181 32.500 0.068 0.000 0.716 54 K HN 0.471 nan 8.250 nan 0.000 0.444 55 K N 0.254 120.690 120.400 0.061 0.000 2.057 55 K HA -0.043 4.280 4.320 0.005 0.000 0.206 55 K C 2.210 178.853 176.600 0.071 0.000 1.050 55 K CA 1.123 57.445 56.287 0.059 0.000 0.935 55 K CB -0.130 32.396 32.500 0.043 0.000 0.715 55 K HN 0.094 nan 8.250 nan 0.000 0.439 56 A N 1.711 124.560 122.820 0.047 0.000 1.902 56 A HA -0.204 4.119 4.320 0.005 0.000 0.217 56 A C 1.882 179.517 177.584 0.085 0.000 1.181 56 A CA 1.470 53.533 52.037 0.043 0.000 0.623 56 A CB -0.359 18.622 19.000 -0.032 0.000 0.818 56 A HN 0.284 nan 8.150 nan 0.000 0.443 57 E N -0.771 119.465 120.200 0.061 0.000 2.110 57 E HA -0.256 4.097 4.350 0.005 0.000 0.193 57 E C 2.235 178.898 176.600 0.104 0.000 0.988 57 E CA 1.279 57.737 56.400 0.097 0.000 0.804 57 E CB -0.171 29.615 29.700 0.143 0.000 0.745 57 E HN 0.816 nan 8.360 nan 0.000 0.458 58 Q N 0.162 120.018 119.800 0.095 0.000 2.084 58 Q HA -0.245 4.098 4.340 0.005 0.000 0.202 58 Q C 2.058 178.109 176.000 0.086 0.000 0.978 58 Q CA 1.508 57.358 55.803 0.078 0.000 0.844 58 Q CB -0.220 28.562 28.738 0.073 0.000 0.898 58 Q HN 0.344 nan 8.270 nan 0.000 0.426 59 Y N 0.810 121.111 120.300 0.001 0.000 2.128 59 Y HA -0.256 4.297 4.550 0.005 0.000 0.284 59 Y C 1.739 177.634 175.900 -0.009 0.000 1.154 59 Y CA 1.871 59.966 58.100 -0.008 0.000 1.149 59 Y CB -0.248 38.201 38.460 -0.018 0.000 0.976 59 Y HN 0.122 nan 8.280 nan 0.000 0.505 60 L N -0.450 120.771 121.223 -0.004 0.000 2.046 60 L HA -0.242 4.102 4.340 0.005 0.000 0.208 60 L C 2.621 179.433 176.870 -0.098 0.000 1.077 60 L CA 1.162 55.951 54.840 -0.084 0.000 0.747 60 L CB -0.727 41.348 42.059 0.026 0.000 0.896 60 L HN 0.350 nan 8.230 nan 0.000 0.432 61 L N 0.086 121.288 121.223 -0.036 0.000 2.042 61 L HA -0.253 4.090 4.340 0.005 0.000 0.210 61 L C 2.370 179.191 176.870 -0.082 0.000 1.076 61 L CA 1.827 56.645 54.840 -0.036 0.000 0.749 61 L CB -0.172 41.883 42.059 -0.006 0.000 0.893 61 L HN 0.394 nan 8.230 nan 0.000 0.432 62 E N -0.860 119.268 120.200 -0.120 0.000 2.285 62 E HA -0.095 4.258 4.350 0.005 0.000 0.194 62 E C 1.325 177.812 176.600 -0.189 0.000 0.997 62 E CA 0.664 56.987 56.400 -0.129 0.000 0.845 62 E CB 0.235 29.872 29.700 -0.105 0.000 0.782 62 E HN 0.594 nan 8.360 nan 0.000 0.491 63 N N -0.061 118.456 118.700 -0.305 0.000 2.297 63 N HA 0.048 4.791 4.740 0.005 0.000 0.208 63 N C 0.228 175.601 175.510 -0.229 0.000 1.176 63 N CA 0.046 52.891 53.050 -0.341 0.000 0.882 63 N CB 0.873 38.950 38.487 -0.684 0.000 1.134 63 N HN 0.099 nan 8.380 nan 0.000 0.489 67 T N 0.478 115.007 114.554 -0.041 0.000 2.840 67 T HA 0.547 4.901 4.350 0.005 0.000 0.317 67 T C -1.240 173.429 174.700 -0.051 0.000 1.401 67 T CA -0.627 61.448 62.100 -0.043 0.000 1.028 67 T CB 1.739 70.588 68.868 -0.033 0.000 1.317 67 T HN -0.053 nan 8.240 nan 0.000 0.495 68 K N 2.064 122.422 120.400 -0.071 0.000 2.455 68 K HA 0.224 4.547 4.320 0.005 0.000 0.206 68 K C 0.516 177.033 176.600 -0.139 0.000 1.027 68 K CA -0.487 55.743 56.287 -0.095 0.000 1.113 68 K CB -0.136 32.298 32.500 -0.109 0.000 0.850 68 K HN 0.440 nan 8.250 nan 0.000 0.503 69 N N 1.419 120.059 118.700 -0.100 0.000 2.294 69 N HA -0.150 4.594 4.740 0.005 0.000 0.248 69 N C -0.487 174.986 175.510 -0.063 0.000 1.242 69 N CA 0.429 53.424 53.050 -0.091 0.000 0.848 69 N CB 0.172 38.653 38.487 -0.009 0.000 1.084 69 N HN -0.030 nan 8.380 nan 0.000 0.457 70 Y N 1.894 122.194 120.300 -0.001 0.000 2.904 70 Y HA -0.088 4.466 4.550 0.005 0.000 0.336 70 Y C 1.006 176.907 175.900 0.002 0.000 1.263 70 Y CA 0.359 58.460 58.100 0.002 0.000 1.547 70 Y CB 0.160 38.623 38.460 0.004 0.000 1.272 70 Y HN 0.278 nan 8.280 nan 0.000 0.596 71 L N 2.764 124.088 121.223 0.168 0.000 2.472 71 L HA 0.286 4.629 4.340 0.005 0.000 0.260 71 L C 1.293 178.226 176.870 0.106 0.000 1.209 71 L CA -0.332 54.569 54.840 0.101 0.000 0.817 71 L CB 0.121 42.214 42.059 0.057 0.000 1.106 71 L HN 0.814 nan 8.230 nan 0.000 0.479 72 G N 0.393 109.237 108.800 0.073 0.000 2.664 72 G HA2 0.180 4.143 3.960 0.005 0.000 0.242 72 G HA3 0.180 4.143 3.960 0.005 0.000 0.242 72 G C 0.966 175.895 174.900 0.048 0.000 1.225 72 G CA -0.466 44.666 45.100 0.054 0.000 0.849 72 G HN 0.687 nan 8.290 nan 0.000 0.581 73 I N 0.287 120.864 120.570 0.011 0.000 2.264 73 I HA -0.180 3.993 4.170 0.005 0.000 0.248 73 I C 1.960 178.093 176.117 0.026 0.000 1.111 73 I CA 1.650 62.940 61.300 -0.016 0.000 1.382 73 I CB -0.100 37.847 38.000 -0.088 0.000 1.060 73 I HN 0.579 nan 8.210 nan 0.000 0.418 74 D N 0.338 120.778 120.400 0.067 0.000 2.328 74 D HA 0.207 4.850 4.640 0.005 0.000 0.226 74 D C 1.057 177.452 176.300 0.158 0.000 1.066 74 D CA 0.700 54.799 54.000 0.164 0.000 0.861 74 D CB -0.254 40.748 40.800 0.338 0.000 0.912 74 D HN 0.373 nan 8.370 nan 0.000 0.521 75 G N 0.663 109.521 108.800 0.097 0.000 2.584 75 G HA2 -0.229 3.734 3.960 0.005 0.000 0.229 75 G HA3 -0.229 3.734 3.960 0.005 0.000 0.229 75 G C -0.439 174.491 174.900 0.050 0.000 1.320 75 G CA -0.376 44.748 45.100 0.039 0.000 0.891 75 G HN 0.309 nan 8.290 nan 0.000 0.573 76 I N 2.671 123.244 120.570 0.006 0.000 2.517 76 I HA 0.164 4.337 4.170 0.005 0.000 0.285 76 I C -0.907 175.282 176.117 0.121 0.000 1.106 76 I CA -1.434 59.893 61.300 0.046 0.000 1.402 76 I CB 1.398 39.402 38.000 0.006 0.000 1.399 76 I HN 0.295 nan 8.210 nan 0.000 0.535 77 P HA -0.228 nan 4.420 nan 0.000 0.215 77 P C 1.429 178.776 177.300 0.078 0.000 1.157 77 P CA 1.133 64.284 63.100 0.085 0.000 0.874 77 P CB 0.281 32.016 31.700 0.058 0.000 0.790 78 E N -1.251 118.987 120.200 0.063 0.000 2.153 78 E HA -0.196 4.157 4.350 0.005 0.000 0.194 78 E C 1.739 178.361 176.600 0.037 0.000 0.988 78 E CA 0.925 57.344 56.400 0.032 0.000 0.811 78 E CB -1.067 28.640 29.700 0.012 0.000 0.746 78 E HN 0.182 nan 8.360 nan 0.000 0.466 79 F N -0.103 119.800 119.950 -0.078 0.000 2.134 79 F HA -0.024 4.506 4.527 0.005 0.000 0.299 79 F C 2.003 177.772 175.800 -0.051 0.000 1.097 79 F CA 1.930 59.865 58.000 -0.107 0.000 1.264 79 F CB -0.628 38.305 39.000 -0.111 0.000 1.001 79 F HN 0.107 nan 8.300 nan 0.000 0.479 80 G N 0.027 108.909 108.800 0.137 0.000 2.421 80 G HA2 -0.309 3.654 3.960 0.005 0.000 0.216 80 G HA3 -0.309 3.654 3.960 0.005 0.000 0.216 80 G C 1.748 176.612 174.900 -0.060 0.000 1.171 80 G CA 0.851 45.972 45.100 0.036 0.000 0.775 80 G HN 0.338 nan 8.290 nan 0.000 0.543 81 R N -0.592 119.886 120.500 -0.036 0.000 2.080 81 R HA -0.094 4.249 4.340 0.005 0.000 0.236 81 R C 2.704 178.956 176.300 -0.081 0.000 1.137 81 R CA 1.899 57.974 56.100 -0.041 0.000 0.943 81 R CB -0.730 29.556 30.300 -0.024 0.000 0.846 81 R HN 0.386 nan 8.270 nan 0.000 0.431 82 C N -0.642 118.578 119.300 -0.134 0.000 2.429 82 C HA -0.063 4.400 4.460 0.005 0.000 0.277 82 C C 2.594 177.470 174.990 -0.190 0.000 1.262 82 C CA 1.239 60.157 59.018 -0.167 0.000 1.733 82 C CB -0.877 26.724 27.740 -0.233 0.000 2.010 82 C HN 0.606 nan 8.230 nan 0.000 0.483 83 T N 0.750 115.133 114.554 -0.285 0.000 2.652 83 T HA -0.244 4.110 4.350 0.005 0.000 0.267 83 T C 1.826 176.411 174.700 -0.191 0.000 1.039 83 T CA 1.633 63.593 62.100 -0.234 0.000 1.153 83 T CB -0.349 68.321 68.868 -0.331 0.000 0.863 83 T HN 0.655 nan 8.240 nan 0.000 0.428 84 Q N 0.496 120.213 119.800 -0.138 0.000 2.084 84 Q HA -0.128 4.216 4.340 0.005 0.000 0.202 84 Q C 2.437 178.401 176.000 -0.060 0.000 0.978 84 Q CA 1.231 56.980 55.803 -0.090 0.000 0.844 84 Q CB -0.180 28.615 28.738 0.095 0.000 0.898 84 Q HN 0.643 nan 8.270 nan 0.000 0.426 85 E N 0.379 120.561 120.200 -0.031 0.000 2.085 85 E HA -0.202 4.151 4.350 0.005 0.000 0.194 85 E C 1.943 178.527 176.600 -0.027 0.000 0.994 85 E CA 0.732 57.129 56.400 -0.005 0.000 0.801 85 E CB -0.041 29.654 29.700 -0.008 0.000 0.743 85 E HN 0.153 nan 8.360 nan 0.000 0.453 86 L N 0.693 121.882 121.223 -0.058 0.000 2.056 86 L HA -0.152 4.191 4.340 0.005 0.000 0.207 86 L C 2.119 178.947 176.870 -0.070 0.000 1.078 86 L CA 1.353 56.176 54.840 -0.028 0.000 0.749 86 L CB -0.585 41.476 42.059 0.003 0.000 0.901 86 L HN 0.126 nan 8.230 nan 0.000 0.433 87 L N -1.773 119.306 121.223 -0.240 0.000 2.005 87 L HA -0.141 4.202 4.340 0.005 0.000 0.207 87 L C 2.096 178.725 176.870 -0.401 0.000 1.072 87 L CA 1.894 56.463 54.840 -0.451 0.000 0.744 87 L CB -0.957 40.459 42.059 -1.070 0.000 0.895 87 L HN 0.172 nan 8.230 nan 0.000 0.433 88 F N -1.075 118.864 119.950 -0.018 0.000 2.717 88 F HA 0.542 5.073 4.527 0.006 0.000 0.297 88 F C 1.198 176.979 175.800 -0.031 0.000 1.113 88 F CA -0.041 57.932 58.000 -0.045 0.000 1.319 88 F CB -0.486 38.485 39.000 -0.048 0.000 1.097 88 F HN 0.076 nan 8.300 nan 0.000 0.595 89 G N 1.534 110.407 108.800 0.122 0.000 2.907 89 G HA2 -0.171 3.792 3.960 0.005 0.000 0.686 89 G HA3 -0.171 3.792 3.960 0.005 0.000 0.686 89 G C -0.564 174.377 174.900 0.070 0.000 1.115 89 G CA -1.230 43.915 45.100 0.075 0.000 0.760 89 G HN 0.124 nan 8.290 nan 0.000 0.620 90 K N 0.798 121.223 120.400 0.042 0.000 2.472 90 K HA 0.370 4.694 4.320 0.005 0.000 0.280 90 K C 1.545 178.162 176.600 0.028 0.000 1.028 90 K CA 1.380 57.685 56.287 0.031 0.000 1.045 90 K CB 0.547 33.058 32.500 0.019 0.000 0.902 90 K HN 2.209 nan 8.250 nan 0.000 0.478 91 G N 1.691 110.506 108.800 0.025 0.000 2.176 91 G HA2 -0.315 3.648 3.960 0.005 0.000 0.253 91 G HA3 -0.315 3.648 3.960 0.005 0.000 0.253 91 G C 0.270 175.177 174.900 0.013 0.000 0.979 91 G CA 0.315 45.423 45.100 0.015 0.000 0.641 91 G HN 0.650 nan 8.290 nan 0.000 0.530 92 S N 0.377 116.094 115.700 0.028 0.000 2.573 92 S HA 0.407 4.880 4.470 0.005 0.000 0.297 92 S C 1.977 176.563 174.600 -0.023 0.000 1.280 92 S CA 0.784 58.992 58.200 0.014 0.000 1.061 92 S CB 0.778 64.011 63.200 0.056 0.000 0.812 92 S HN 1.759 nan 8.310 nan 0.000 0.500 93 A N 4.992 127.785 122.820 -0.045 0.000 2.019 93 A HA -0.025 4.299 4.320 0.005 0.000 0.219 93 A C 1.993 179.523 177.584 -0.089 0.000 1.164 93 A CA 1.318 53.321 52.037 -0.057 0.000 0.644 93 A CB -0.612 18.355 19.000 -0.055 0.000 0.805 93 A HN 0.809 nan 8.150 nan 0.000 0.449 94 L N -0.366 120.765 121.223 -0.152 0.000 2.042 94 L HA -0.177 4.166 4.340 0.005 0.000 0.210 94 L C 2.355 179.138 176.870 -0.145 0.000 1.076 94 L CA 1.665 56.365 54.840 -0.233 0.000 0.749 94 L CB -0.422 41.308 42.059 -0.549 0.000 0.893 94 L HN 0.427 nan 8.230 nan 0.000 0.432 95 I N -1.207 119.319 120.570 -0.073 0.000 2.277 95 I HA -0.197 3.976 4.170 0.005 0.000 0.243 95 I C 2.033 178.137 176.117 -0.023 0.000 1.094 95 I CA 0.628 61.919 61.300 -0.015 0.000 1.393 95 I CB -0.401 37.621 38.000 0.038 0.000 1.078 95 I HN 0.268 nan 8.210 nan 0.000 0.417 96 N N 1.085 119.770 118.700 -0.024 0.000 2.104 96 N HA -0.182 4.561 4.740 0.005 0.000 0.190 96 N C 1.129 176.624 175.510 -0.026 0.000 1.024 96 N CA 1.420 54.457 53.050 -0.021 0.000 0.853 96 N CB -0.426 38.050 38.487 -0.019 0.000 1.008 96 N HN 0.321 nan 8.380 nan 0.000 0.424 97 D N 0.534 120.911 120.400 -0.038 0.000 2.340 97 D HA 0.042 4.685 4.640 0.005 0.000 0.220 97 D C 0.002 176.280 176.300 -0.038 0.000 1.039 97 D CA 0.120 54.098 54.000 -0.037 0.000 0.866 97 D CB 0.034 40.807 40.800 -0.044 0.000 0.913 97 D HN 0.233 nan 8.370 nan 0.000 0.523 98 K N -0.055 120.321 120.400 -0.041 0.000 3.077 98 K HA -0.241 4.082 4.320 0.005 0.000 0.264 98 K C 0.700 177.269 176.600 -0.052 0.000 1.008 98 K CA 0.231 56.493 56.287 -0.041 0.000 0.740 98 K CB -1.150 31.334 32.500 -0.027 0.000 1.273 98 K HN 0.213 nan 8.250 nan 0.000 0.477 99 R N -0.211 120.246 120.500 -0.072 0.000 2.317 99 R HA 0.183 4.527 4.340 0.005 0.000 0.208 99 R C 0.525 176.772 176.300 -0.089 0.000 0.914 99 R CA 0.602 56.657 56.100 -0.075 0.000 1.060 99 R CB 0.667 30.912 30.300 -0.093 0.000 1.015 99 R HN 0.295 nan 8.270 nan 0.000 0.498 100 A N 1.189 123.951 122.820 -0.096 0.000 2.342 100 A HA 0.639 4.962 4.320 0.005 0.000 0.323 100 A C -0.664 176.831 177.584 -0.149 0.000 1.125 100 A CA -0.764 51.226 52.037 -0.078 0.000 0.785 100 A CB 1.110 20.121 19.000 0.018 0.000 1.221 100 A HN -0.019 nan 8.150 nan 0.000 0.463 101 R N 1.063 121.400 120.500 -0.272 0.000 2.621 101 R HA 0.666 5.009 4.340 0.005 0.000 0.292 101 R C -1.261 174.692 176.300 -0.579 0.000 0.969 101 R CA -0.376 55.338 56.100 -0.644 0.000 0.887 101 R CB 1.857 31.390 30.300 -1.279 0.000 1.180 101 R HN 0.693 nan 8.270 nan 0.000 0.450 102 T N 1.277 115.578 114.554 -0.420 0.000 2.812 102 T HA 0.583 4.936 4.350 0.005 0.000 0.282 102 T C -0.606 174.219 174.700 0.208 0.000 0.990 102 T CA -0.546 61.529 62.100 -0.042 0.000 0.960 102 T CB 1.731 70.613 68.868 0.024 0.000 0.948 102 T HN 0.589 nan 8.240 nan 0.000 0.438 103 A N 3.378 126.443 122.820 0.410 0.000 2.276 103 A HA 0.532 4.855 4.320 0.005 0.000 0.316 103 A C 0.248 178.021 177.584 0.315 0.000 1.229 103 A CA -0.674 51.612 52.037 0.416 0.000 0.851 103 A CB 0.566 19.773 19.000 0.345 0.000 1.165 103 A HN 0.795 nan 8.150 nan 0.000 0.513 104 Q N 1.948 121.918 119.800 0.283 0.000 2.311 104 Q HA 0.329 4.673 4.340 0.005 0.000 0.272 104 Q C -0.047 176.021 176.000 0.115 0.000 1.012 104 Q CA 0.619 56.527 55.803 0.175 0.000 0.891 104 Q CB 0.416 29.052 28.738 -0.169 0.000 1.201 104 Q HN 0.822 nan 8.270 nan 0.000 0.391 105 T N 0.891 115.500 114.554 0.092 0.000 2.907 105 T HA 0.588 4.941 4.350 0.005 0.000 0.290 105 T C -2.705 171.934 174.700 -0.100 0.000 1.066 105 T CA -2.119 60.009 62.100 0.047 0.000 1.012 105 T CB 1.742 70.683 68.868 0.121 0.000 1.184 105 T HN 0.473 nan 8.240 nan 0.000 0.522 106 P HA 0.396 nan 4.420 nan 0.000 0.260 106 P C 0.739 177.977 177.300 -0.104 0.000 1.651 106 P CA 0.709 63.668 63.100 -0.236 0.000 1.139 106 P CB -0.443 31.009 31.700 -0.413 0.000 1.756 107 G N 2.952 111.729 108.800 -0.039 0.000 2.814 107 G HA2 -0.147 3.816 3.960 0.005 0.000 0.677 107 G HA3 -0.147 3.816 3.960 0.005 0.000 0.677 107 G C 0.960 175.873 174.900 0.020 0.000 1.429 107 G CA -0.491 44.612 45.100 0.005 0.000 0.868 107 G HN 0.462 nan 8.290 nan 0.000 0.553 108 G N -0.534 108.270 108.800 0.006 0.000 2.432 108 G HA2 0.037 4.000 3.960 0.005 0.000 0.219 108 G HA3 0.037 4.000 3.960 0.005 0.000 0.219 108 G C 2.109 177.046 174.900 0.062 0.000 1.135 108 G CA 2.112 47.219 45.100 0.012 0.000 0.767 108 G HN 1.307 nan 8.290 nan 0.000 0.550 109 S N 0.711 116.460 115.700 0.082 0.000 2.356 109 S HA -0.078 4.396 4.470 0.005 0.000 0.223 109 S C 2.541 177.186 174.600 0.075 0.000 1.032 109 S CA 1.238 59.506 58.200 0.114 0.000 1.005 109 S CB -0.649 62.619 63.200 0.114 0.000 0.867 109 S HN 0.526 nan 8.310 nan 0.000 0.449 110 G N 1.298 110.125 108.800 0.045 0.000 2.422 110 G HA2 -0.065 3.898 3.960 0.005 0.000 0.218 110 G HA3 -0.065 3.898 3.960 0.005 0.000 0.218 110 G C 1.551 176.524 174.900 0.121 0.000 1.146 110 G CA 0.924 46.055 45.100 0.052 0.000 0.769 110 G HN 0.580 nan 8.290 nan 0.000 0.547 111 A N 0.510 123.398 122.820 0.114 0.000 1.902 111 A HA 0.079 4.402 4.320 0.005 0.000 0.217 111 A C 2.341 180.024 177.584 0.165 0.000 1.181 111 A CA 1.267 53.392 52.037 0.146 0.000 0.623 111 A CB -0.357 18.720 19.000 0.129 0.000 0.818 111 A HN 0.281 nan 8.150 nan 0.000 0.443 112 L N -0.403 120.911 121.223 0.151 0.000 2.042 112 L HA -0.132 4.211 4.340 0.005 0.000 0.210 112 L C 2.538 179.499 176.870 0.151 0.000 1.076 112 L CA 2.156 57.096 54.840 0.167 0.000 0.749 112 L CB -1.302 40.821 42.059 0.108 0.000 0.893 112 L HN 0.473 nan 8.230 nan 0.000 0.432 113 R N -0.315 120.250 120.500 0.108 0.000 2.075 113 R HA -0.095 4.248 4.340 0.005 0.000 0.232 113 R C 2.199 178.600 176.300 0.169 0.000 1.126 113 R CA 1.489 57.656 56.100 0.111 0.000 0.963 113 R CB -0.872 29.484 30.300 0.093 0.000 0.858 113 R HN 0.155 nan 8.270 nan 0.000 0.435 114 V N 1.050 121.077 119.914 0.188 0.000 2.287 114 V HA -0.262 3.861 4.120 0.005 0.000 0.248 114 V C 2.391 178.626 176.094 0.236 0.000 1.053 114 V CA 2.081 64.494 62.300 0.190 0.000 1.027 114 V CB -1.102 30.830 31.823 0.183 0.000 0.646 114 V HN 0.547 nan 8.190 nan 0.000 0.447 115 A N -0.058 122.915 122.820 0.256 0.000 1.883 115 A HA -0.181 4.142 4.320 0.005 0.000 0.217 115 A C 2.440 180.246 177.584 0.370 0.000 1.186 115 A CA 2.403 54.638 52.037 0.330 0.000 0.624 115 A CB -0.902 18.287 19.000 0.315 0.000 0.822 115 A HN 0.602 nan 8.150 nan 0.000 0.444 116 A N -0.085 122.946 122.820 0.352 0.000 1.877 116 A HA -0.199 4.125 4.320 0.005 0.000 0.216 116 A C 1.803 179.521 177.584 0.224 0.000 1.186 116 A CA 1.970 54.212 52.037 0.341 0.000 0.620 116 A CB -0.667 18.581 19.000 0.413 0.000 0.822 116 A HN 0.466 nan 8.150 nan 0.000 0.443 117 D N -1.084 119.435 120.400 0.199 0.000 2.117 117 D HA -0.135 4.508 4.640 0.005 0.000 0.197 117 D C 1.617 178.006 176.300 0.149 0.000 0.987 117 D CA 1.386 55.472 54.000 0.143 0.000 0.829 117 D CB -0.479 40.394 40.800 0.122 0.000 0.961 117 D HN 0.492 nan 8.370 nan 0.000 0.460 118 F N 1.127 121.122 119.950 0.074 0.000 2.102 118 F HA -0.189 4.342 4.527 0.005 0.000 0.298 118 F C 1.919 177.761 175.800 0.070 0.000 1.105 118 F CA 1.005 59.044 58.000 0.065 0.000 1.239 118 F CB -0.284 38.765 39.000 0.082 0.000 0.991 118 F HN -0.132 nan 8.300 nan 0.000 0.474 119 L N 0.772 121.932 121.223 -0.105 0.000 2.056 119 L HA -0.042 4.301 4.340 0.005 0.000 0.207 119 L C 2.779 179.559 176.870 -0.151 0.000 1.078 119 L CA 1.874 56.588 54.840 -0.211 0.000 0.749 119 L CB -1.956 40.120 42.059 0.029 0.000 0.901 119 L HN 0.303 nan 8.230 nan 0.000 0.433 120 A N -1.017 121.777 122.820 -0.044 0.000 1.902 120 A HA -0.195 4.128 4.320 0.005 0.000 0.217 120 A C 2.302 179.853 177.584 -0.055 0.000 1.181 120 A CA 1.522 53.544 52.037 -0.025 0.000 0.623 120 A CB -0.312 18.702 19.000 0.024 0.000 0.818 120 A HN 0.325 nan 8.150 nan 0.000 0.443 121 K N -0.749 119.607 120.400 -0.073 0.000 2.243 121 K HA 0.039 4.362 4.320 0.005 0.000 0.201 121 K C 0.609 177.144 176.600 -0.108 0.000 1.051 121 K CA 0.838 57.085 56.287 -0.066 0.000 0.970 121 K CB -0.041 32.439 32.500 -0.034 0.000 0.755 121 K HN 0.472 nan 8.250 nan 0.000 0.465 122 N N 0.582 119.153 118.700 -0.216 0.000 2.171 122 N HA -0.006 4.737 4.740 0.005 0.000 0.212 122 N C 0.401 175.778 175.510 -0.221 0.000 1.184 122 N CA 0.284 53.188 53.050 -0.244 0.000 0.888 122 N CB 1.329 39.576 38.487 -0.400 0.000 1.038 122 N HN 0.229 nan 8.380 nan 0.000 0.517 123 T N -2.544 111.891 114.554 -0.199 0.000 2.804 123 T HA 0.268 4.621 4.350 0.005 0.000 0.290 123 T C 0.873 175.535 174.700 -0.063 0.000 1.099 123 T CA -0.556 61.472 62.100 -0.120 0.000 1.011 123 T CB 1.472 70.265 68.868 -0.125 0.000 1.291 123 T HN -0.075 nan 8.240 nan 0.000 0.523 124 S N -0.539 115.145 115.700 -0.025 0.000 2.631 124 S HA 0.200 4.673 4.470 0.005 0.000 0.217 124 S C 0.630 175.232 174.600 0.003 0.000 0.958 124 S CA -0.493 57.704 58.200 -0.005 0.000 0.920 124 S CB -0.719 62.489 63.200 0.013 0.000 0.776 124 S HN 0.652 nan 8.310 nan 0.000 0.517 125 V N 2.651 122.561 119.914 -0.006 0.000 2.557 125 V HA 0.143 4.267 4.120 0.005 0.000 0.301 125 V C 0.439 176.529 176.094 -0.007 0.000 1.026 125 V CA 0.537 62.838 62.300 0.003 0.000 1.137 125 V CB 0.033 31.852 31.823 -0.006 0.000 0.917 125 V HN 0.458 nan 8.190 nan 0.000 0.484 134 W N 4.444 125.608 121.300 -0.228 0.000 2.338 134 W HA 0.713 5.376 4.660 0.005 0.000 0.307 134 W C 0.164 176.633 176.519 -0.084 0.000 1.167 134 W CA -0.505 56.767 57.345 -0.121 0.000 1.208 134 W CB 1.741 31.122 29.460 -0.133 0.000 1.228 134 W HN 0.596 nan 8.180 nan 0.000 0.499 135 V N 0.727 120.654 119.914 0.021 0.000 3.046 135 V HA 0.745 4.868 4.120 0.005 0.000 0.316 135 V C 0.199 175.855 176.094 -0.729 0.000 1.104 135 V CA -1.316 60.881 62.300 -0.171 0.000 1.006 135 V CB 1.228 33.037 31.823 -0.024 0.000 1.058 135 V HN 0.507 nan 8.190 nan 0.000 0.440 136 S N 1.642 116.807 115.700 -0.891 0.000 2.580 136 S HA 0.373 4.846 4.470 0.005 0.000 0.274 136 S C -0.198 174.186 174.600 -0.360 0.000 1.329 136 S CA -0.207 57.393 58.200 -1.000 0.000 1.036 136 S CB 0.442 63.218 63.200 -0.707 0.000 0.919 136 S HN 1.219 nan 8.310 nan 0.000 0.515 137 N N 2.396 120.971 118.700 -0.208 0.000 2.424 137 N HA 0.507 5.251 4.740 0.005 0.000 0.271 137 N C -2.749 172.801 175.510 0.067 0.000 0.985 137 N CA -1.979 51.052 53.050 -0.031 0.000 0.921 137 N CB 1.267 39.764 38.487 0.015 0.000 1.149 137 N HN 0.414 nan 8.380 nan 0.000 0.492 138 P HA 0.173 nan 4.420 nan 0.000 0.274 138 P C -0.793 176.485 177.300 -0.037 0.000 1.231 138 P CA -0.329 62.778 63.100 0.012 0.000 0.790 138 P CB 0.944 32.613 31.700 -0.051 0.000 0.951 139 S N 0.503 116.198 115.700 -0.009 0.000 2.747 139 S HA 0.541 5.014 4.470 0.005 0.000 0.300 139 S C -1.269 173.393 174.600 0.103 0.000 1.121 139 S CA -0.745 57.484 58.200 0.050 0.000 0.995 139 S CB 0.942 64.174 63.200 0.054 0.000 1.113 139 S HN 0.550 nan 8.310 nan 0.000 0.547 140 W N 2.201 123.482 121.300 -0.031 0.000 2.349 140 W HA 0.508 5.171 4.660 0.005 0.000 0.309 140 W C -2.516 173.902 176.519 -0.169 0.000 1.083 140 W CA -2.190 55.066 57.345 -0.148 0.000 1.224 140 W CB 1.077 30.387 29.460 -0.250 0.000 1.256 140 W HN 0.532 nan 8.180 nan 0.000 0.461 141 P HA -0.241 nan 4.420 nan 0.000 0.216 141 P C 0.892 177.897 177.300 -0.492 0.000 1.150 141 P CA 2.077 64.941 63.100 -0.393 0.000 0.843 141 P CB 0.238 31.693 31.700 -0.409 0.000 0.787 142 N N -2.059 116.066 118.700 -0.958 0.000 2.459 142 N HA -0.124 4.619 4.740 0.005 0.000 0.181 142 N C 1.567 176.823 175.510 -0.423 0.000 1.046 142 N CA 0.273 52.854 53.050 -0.781 0.000 0.904 142 N CB -0.348 37.468 38.487 -1.117 0.000 0.964 142 N HN 0.407 nan 8.380 nan 0.000 0.444 143 H N 0.970 119.952 119.070 -0.147 0.000 2.290 143 H HA -0.114 4.445 4.556 0.006 0.000 0.298 143 H C 2.255 177.503 175.328 -0.133 0.000 1.087 143 H CA 1.238 57.227 56.048 -0.099 0.000 1.291 143 H CB 0.157 30.065 29.762 0.243 0.000 1.369 143 H HN 0.070 nan 8.280 nan 0.000 0.492 144 K N 0.614 121.072 120.400 0.095 0.000 2.032 144 K HA -0.169 4.154 4.320 0.005 0.000 0.209 144 K C 2.323 178.910 176.600 -0.022 0.000 1.048 144 K CA 1.721 58.045 56.287 0.063 0.000 0.927 144 K CB 0.022 32.529 32.500 0.013 0.000 0.712 144 K HN 0.159 nan 8.250 nan 0.000 0.441 145 S N 0.396 116.031 115.700 -0.109 0.000 2.356 145 S HA -0.131 4.342 4.470 0.005 0.000 0.223 145 S C 2.020 176.550 174.600 -0.118 0.000 1.032 145 S CA 1.456 59.586 58.200 -0.117 0.000 1.005 145 S CB -0.270 62.832 63.200 -0.164 0.000 0.867 145 S HN 0.123 nan 8.310 nan 0.000 0.449 146 V N 1.289 121.077 119.914 -0.210 0.000 2.270 146 V HA -0.139 3.984 4.120 0.005 0.000 0.245 146 V C 2.039 178.035 176.094 -0.163 0.000 1.043 146 V CA 1.728 63.883 62.300 -0.243 0.000 1.014 146 V CB -0.908 30.669 31.823 -0.410 0.000 0.645 146 V HN 0.378 nan 8.190 nan 0.000 0.447 147 F N 0.845 120.827 119.950 0.053 0.000 2.186 147 F HA -0.084 4.447 4.527 0.006 0.000 0.299 147 F C 2.214 178.019 175.800 0.008 0.000 1.090 147 F CA 1.300 59.320 58.000 0.033 0.000 1.307 147 F CB -1.326 37.686 39.000 0.021 0.000 1.019 147 F HN 0.209 nan 8.300 nan 0.000 0.489 148 N N -0.167 118.616 118.700 0.138 0.000 2.166 148 N HA -0.178 4.566 4.740 0.005 0.000 0.186 148 N C 2.046 177.583 175.510 0.045 0.000 1.019 148 N CA 1.215 54.306 53.050 0.067 0.000 0.856 148 N CB -0.198 38.304 38.487 0.025 0.000 0.993 148 N HN 0.275 nan 8.380 nan 0.000 0.426 149 S N 0.687 116.405 115.700 0.030 0.000 2.400 149 S HA -0.076 4.398 4.470 0.005 0.000 0.232 149 S C 1.807 176.431 174.600 0.040 0.000 1.025 149 S CA 1.006 59.218 58.200 0.020 0.000 0.993 149 S CB -0.172 63.029 63.200 0.002 0.000 0.808 149 S HN 0.310 nan 8.310 nan 0.000 0.478 150 A N 0.275 123.137 122.820 0.071 0.000 2.275 150 A HA 0.597 4.920 4.320 0.005 0.000 0.212 150 A C 1.614 179.235 177.584 0.062 0.000 1.201 150 A CA 0.436 52.520 52.037 0.078 0.000 0.843 150 A CB -1.004 18.070 19.000 0.123 0.000 0.873 150 A HN 1.595 nan 8.150 nan 0.000 0.492 151 G N -1.197 107.635 108.800 0.053 0.000 2.132 151 G HA2 -0.196 3.767 3.960 0.005 0.000 0.234 151 G HA3 -0.196 3.767 3.960 0.005 0.000 0.234 151 G C 0.105 175.023 174.900 0.030 0.000 0.989 151 G CA 0.374 45.494 45.100 0.033 0.000 0.676 151 G HN 0.417 nan 8.290 nan 0.000 0.522 155 V N 4.011 123.839 119.914 -0.143 0.000 2.448 155 V HA 0.631 4.755 4.120 0.005 0.000 0.295 155 V C -0.107 175.802 176.094 -0.309 0.000 1.025 155 V CA -0.715 61.473 62.300 -0.187 0.000 0.859 155 V CB 1.563 33.376 31.823 -0.015 0.000 0.988 155 V HN 0.519 nan 8.190 nan 0.000 0.431 156 R N 2.754 122.924 120.500 -0.549 0.000 2.803 156 R HA 0.637 4.980 4.340 0.005 0.000 0.276 156 R C -0.844 175.201 176.300 -0.425 0.000 0.978 156 R CA -0.762 54.920 56.100 -0.696 0.000 0.939 156 R CB 2.684 32.049 30.300 -1.558 0.000 1.179 156 R HN 0.717 nan 8.270 nan 0.000 0.472 157 E N 1.696 121.795 120.200 -0.169 0.000 2.183 157 E HA 0.263 4.616 4.350 0.005 0.000 0.271 157 E C -1.013 175.752 176.600 0.275 0.000 0.919 157 E CA -0.695 55.706 56.400 0.002 0.000 0.781 157 E CB 1.673 31.352 29.700 -0.034 0.000 1.140 157 E HN 0.412 nan 8.360 nan 0.000 0.402 158 Y N -0.063 120.389 120.300 0.252 0.000 2.457 158 Y HA 0.709 5.262 4.550 0.006 0.000 0.333 158 Y C -0.051 175.934 175.900 0.142 0.000 1.119 158 Y CA -1.494 56.719 58.100 0.188 0.000 1.143 158 Y CB 0.665 39.168 38.460 0.071 0.000 1.230 158 Y HN 0.471 nan 8.280 nan 0.000 0.469 159 A N 2.194 125.197 122.820 0.306 0.000 2.445 159 A HA 0.304 4.627 4.320 0.005 0.000 0.242 159 A C -0.602 177.196 177.584 0.356 0.000 1.075 159 A CA 0.270 52.448 52.037 0.235 0.000 0.777 159 A CB -0.173 18.916 19.000 0.148 0.000 1.013 159 A HN 1.062 nan 8.150 nan 0.000 0.493 160 Y N 0.222 120.597 120.300 0.125 0.000 2.855 160 Y HA 0.234 4.787 4.550 0.005 0.000 0.251 160 Y C -0.570 175.407 175.900 0.129 0.000 1.152 160 Y CA 0.068 58.237 58.100 0.116 0.000 1.201 160 Y CB 0.300 38.765 38.460 0.009 0.000 1.392 160 Y HN 0.654 nan 8.280 nan 0.000 0.470 161 Y N 2.596 122.928 120.300 0.053 0.000 2.335 161 Y HA 0.437 4.990 4.550 0.005 0.000 0.338 161 Y C -0.900 175.000 175.900 -0.001 0.000 0.977 161 Y CA -1.658 56.446 58.100 0.007 0.000 1.114 161 Y CB 0.877 39.426 38.460 0.150 0.000 1.182 161 Y HN 0.093 nan 8.280 nan 0.000 0.463 162 D N 4.868 124.989 120.400 -0.466 0.000 2.393 162 D HA 0.251 4.894 4.640 0.005 0.000 0.232 162 D C 0.502 176.309 176.300 -0.823 0.000 1.192 162 D CA 0.216 53.941 54.000 -0.458 0.000 0.882 162 D CB 1.274 41.882 40.800 -0.320 0.000 1.038 162 D HN 0.744 nan 8.370 nan 0.000 0.499 163 A N 3.980 126.448 122.820 -0.585 0.000 2.168 163 A HA -0.063 4.261 4.320 0.005 0.000 0.215 163 A C 1.715 178.851 177.584 -0.747 0.000 1.152 163 A CA 0.802 52.492 52.037 -0.577 0.000 0.716 163 A CB -0.081 18.850 19.000 -0.115 0.000 0.794 163 A HN 0.661 nan 8.150 nan 0.000 0.465 164 E N -0.445 119.420 120.200 -0.558 0.000 2.166 164 E HA -0.002 4.351 4.350 0.005 0.000 0.192 164 E C 1.075 177.404 176.600 -0.453 0.000 0.967 164 E CA 0.459 56.586 56.400 -0.455 0.000 0.840 164 E CB -0.072 29.479 29.700 -0.247 0.000 0.795 164 E HN 0.597 nan 8.360 nan 0.000 0.470 165 N N 0.465 118.931 118.700 -0.389 0.000 2.353 165 N HA -0.021 4.722 4.740 0.005 0.000 0.185 165 N C -0.591 174.828 175.510 -0.152 0.000 1.098 165 N CA 0.212 53.135 53.050 -0.213 0.000 0.872 165 N CB 0.302 38.702 38.487 -0.144 0.000 0.970 165 N HN 0.190 nan 8.380 nan 0.000 0.467 166 H N 0.028 118.906 119.070 -0.320 0.000 2.692 166 H HA -0.142 4.417 4.556 0.006 0.000 0.316 166 H C -0.005 175.259 175.328 -0.108 0.000 1.176 166 H CA 0.983 56.868 56.048 -0.271 0.000 1.142 166 H CB -1.910 27.822 29.762 -0.050 0.000 1.475 166 H HN 0.295 nan 8.280 nan 0.000 0.423 167 T N -2.952 111.485 114.554 -0.194 0.000 2.907 167 T HA 0.539 4.892 4.350 0.005 0.000 0.290 167 T C 0.147 174.761 174.700 -0.143 0.000 1.066 167 T CA -1.295 60.763 62.100 -0.071 0.000 1.012 167 T CB 2.154 70.978 68.868 -0.073 0.000 1.184 167 T HN 0.264 nan 8.240 nan 0.000 0.522 168 L N 1.723 122.874 121.223 -0.120 0.000 2.477 168 L HA 0.213 4.556 4.340 0.005 0.000 0.272 168 L C -0.046 176.727 176.870 -0.161 0.000 1.157 168 L CA -0.073 54.609 54.840 -0.262 0.000 0.889 168 L CB 0.276 42.145 42.059 -0.317 0.000 1.158 168 L HN 0.737 nan 8.230 nan 0.000 0.473 169 D N 4.503 124.805 120.400 -0.163 0.000 2.508 169 D HA -0.058 4.585 4.640 0.005 0.000 0.224 169 D C 0.796 177.097 176.300 0.002 0.000 1.171 169 D CA 0.038 53.996 54.000 -0.070 0.000 1.006 169 D CB 0.245 41.003 40.800 -0.070 0.000 1.073 169 D HN 0.474 nan 8.370 nan 0.000 0.513 170 F N 2.100 121.978 119.950 -0.120 0.000 2.134 170 F HA -0.164 4.366 4.527 0.005 0.000 0.299 170 F C 1.670 177.446 175.800 -0.038 0.000 1.097 170 F CA 1.173 59.121 58.000 -0.087 0.000 1.264 170 F CB 0.266 39.218 39.000 -0.081 0.000 1.001 170 F HN 0.230 nan 8.300 nan 0.000 0.479 171 D N 0.167 120.584 120.400 0.028 0.000 2.104 171 D HA -0.186 4.457 4.640 0.005 0.000 0.194 171 D C 2.359 178.617 176.300 -0.070 0.000 0.994 171 D CA 1.661 55.638 54.000 -0.037 0.000 0.830 171 D CB -0.696 40.108 40.800 0.006 0.000 0.959 171 D HN 0.338 nan 8.370 nan 0.000 0.452 172 A N 0.498 123.294 122.820 -0.039 0.000 1.930 172 A HA -0.094 4.229 4.320 0.005 0.000 0.217 172 A C 2.077 179.652 177.584 -0.016 0.000 1.175 172 A CA 0.774 52.801 52.037 -0.017 0.000 0.627 172 A CB -0.574 18.431 19.000 0.008 0.000 0.815 172 A HN 0.228 nan 8.150 nan 0.000 0.443 173 L N 0.346 121.544 121.223 -0.042 0.000 1.970 173 L HA -0.157 4.187 4.340 0.005 0.000 0.212 173 L C 2.223 178.997 176.870 -0.162 0.000 1.071 173 L CA 2.013 56.828 54.840 -0.041 0.000 0.751 173 L CB -0.744 41.270 42.059 -0.075 0.000 0.889 173 L HN 0.433 nan 8.230 nan 0.000 0.432 174 I N -0.167 120.234 120.570 -0.281 0.000 2.208 174 I HA -0.360 3.813 4.170 0.005 0.000 0.245 174 I C 2.126 178.174 176.117 -0.115 0.000 1.097 174 I CA 1.965 63.127 61.300 -0.229 0.000 1.363 174 I CB -0.471 37.336 38.000 -0.321 0.000 1.051 174 I HN 0.464 nan 8.210 nan 0.000 0.413 175 N N 0.179 118.824 118.700 -0.091 0.000 2.120 175 N HA -0.175 4.569 4.740 0.005 0.000 0.188 175 N C 1.947 177.430 175.510 -0.045 0.000 1.024 175 N CA 1.565 54.585 53.050 -0.050 0.000 0.852 175 N CB -0.078 38.391 38.487 -0.029 0.000 1.003 175 N HN 0.355 nan 8.380 nan 0.000 0.424 176 S N 0.856 116.533 115.700 -0.037 0.000 2.402 176 S HA -0.014 4.459 4.470 0.005 0.000 0.229 176 S C 1.762 176.257 174.600 -0.176 0.000 1.021 176 S CA 0.618 58.808 58.200 -0.016 0.000 0.974 176 S CB -0.461 62.794 63.200 0.092 0.000 0.800 176 S HN 0.236 nan 8.310 nan 0.000 0.484 177 L N 1.699 122.755 121.223 -0.278 0.000 2.552 177 L HA 0.104 4.448 4.340 0.005 0.000 0.227 177 L C 2.425 179.113 176.870 -0.305 0.000 1.146 177 L CA 0.375 54.880 54.840 -0.560 0.000 0.858 177 L CB -0.674 41.003 42.059 -0.635 0.000 0.969 177 L HN 0.483 nan 8.230 nan 0.000 0.451 178 N N 0.261 118.887 118.700 -0.124 0.000 2.443 178 N HA -0.221 4.522 4.740 0.005 0.000 0.184 178 N C 1.623 177.100 175.510 -0.054 0.000 1.037 178 N CA 0.718 53.752 53.050 -0.026 0.000 0.896 178 N CB 0.213 38.693 38.487 -0.012 0.000 0.959 178 N HN 0.441 nan 8.380 nan 0.000 0.442 179 E N 0.393 120.501 120.200 -0.154 0.000 2.371 179 E HA 0.054 4.407 4.350 0.005 0.000 0.194 179 E C 0.001 176.542 176.600 -0.099 0.000 1.012 179 E CA -0.209 56.155 56.400 -0.060 0.000 0.860 179 E CB 0.202 29.950 29.700 0.079 0.000 0.811 179 E HN 0.227 nan 8.360 nan 0.000 0.502 180 A N 1.371 123.893 122.820 -0.495 0.000 2.440 180 A HA 0.142 4.465 4.320 0.005 0.000 0.251 180 A C -0.091 177.523 177.584 0.051 0.000 1.089 180 A CA -0.148 51.605 52.037 -0.473 0.000 0.779 180 A CB 0.478 18.677 19.000 -1.336 0.000 1.022 180 A HN 0.207 nan 8.150 nan 0.000 0.492 181 Q N 0.699 120.609 119.800 0.183 0.000 2.221 181 Q HA 0.537 4.880 4.340 0.005 0.000 0.242 181 Q C 0.286 176.444 176.000 0.263 0.000 0.940 181 Q CA -0.565 55.359 55.803 0.201 0.000 0.896 181 Q CB 1.484 30.323 28.738 0.168 0.000 1.226 181 Q HN 0.909 nan 8.270 nan 0.000 0.463 182 A N 0.396 123.338 122.820 0.202 0.000 2.546 182 A HA 0.376 4.699 4.320 0.005 0.000 0.243 182 A C 1.094 178.785 177.584 0.179 0.000 1.063 182 A CA 0.958 53.107 52.037 0.187 0.000 0.757 182 A CB -0.738 18.318 19.000 0.094 0.000 0.991 182 A HN 0.978 nan 8.150 nan 0.000 0.503 183 G N 2.081 111.002 108.800 0.202 0.000 2.194 183 G HA2 -0.180 3.784 3.960 0.005 0.000 0.236 183 G HA3 -0.180 3.784 3.960 0.005 0.000 0.236 183 G C -0.073 174.927 174.900 0.166 0.000 0.987 183 G CA 0.285 45.481 45.100 0.160 0.000 0.635 183 G HN 0.817 nan 8.290 nan 0.000 0.520 184 D N 0.243 120.773 120.400 0.217 0.000 2.339 184 D HA 0.502 5.146 4.640 0.005 0.000 0.245 184 D C 0.750 177.152 176.300 0.171 0.000 1.115 184 D CA -0.145 53.977 54.000 0.202 0.000 0.917 184 D CB 1.720 42.694 40.800 0.290 0.000 1.192 184 D HN 0.149 nan 8.370 nan 0.000 0.428 185 V N 1.630 121.604 119.914 0.100 0.000 2.607 185 V HA 0.308 4.431 4.120 0.005 0.000 0.289 185 V C 0.199 176.284 176.094 -0.015 0.000 1.053 185 V CA -0.523 61.798 62.300 0.035 0.000 0.996 185 V CB 1.722 33.496 31.823 -0.080 0.000 0.995 185 V HN 0.219 nan 8.190 nan 0.000 0.476 186 V N 5.796 125.657 119.914 -0.088 0.000 2.483 186 V HA 0.423 4.546 4.120 0.005 0.000 0.297 186 V C -0.343 175.467 176.094 -0.472 0.000 1.027 186 V CA -0.500 61.602 62.300 -0.330 0.000 0.855 186 V CB 1.718 33.170 31.823 -0.619 0.000 0.995 186 V HN 0.711 nan 8.190 nan 0.000 0.424 187 L N 5.513 126.474 121.223 -0.437 0.000 2.276 187 L HA 0.661 5.004 4.340 0.005 0.000 0.286 187 L C -1.328 175.227 176.870 -0.524 0.000 1.061 187 L CA -0.007 54.601 54.840 -0.386 0.000 0.807 187 L CB 0.693 42.596 42.059 -0.261 0.000 1.177 187 L HN 0.504 nan 8.230 nan 0.000 0.429 188 F N 2.207 122.008 119.950 -0.249 0.000 2.532 188 F HA 0.398 4.928 4.527 0.005 0.000 0.321 188 F C -0.156 175.650 175.800 0.010 0.000 1.089 188 F CA -0.711 57.200 58.000 -0.150 0.000 0.926 188 F CB 1.257 39.883 39.000 -0.624 0.000 1.168 188 F HN 0.409 nan 8.300 nan 0.000 0.459 189 H N 1.059 120.312 119.070 0.306 0.000 2.690 189 H HA 0.280 4.839 4.556 0.005 0.000 0.314 189 H C 1.166 176.806 175.328 0.520 0.000 1.069 189 H CA -0.048 56.207 56.048 0.344 0.000 1.436 189 H CB 1.135 31.079 29.762 0.303 0.000 1.462 189 H HN 0.804 nan 8.280 nan 0.000 0.511 190 G N 2.103 111.228 108.800 0.541 0.000 2.446 190 G HA2 -0.156 3.808 3.960 0.005 0.000 0.217 190 G HA3 -0.156 3.808 3.960 0.005 0.000 0.217 190 G C 0.300 175.460 174.900 0.433 0.000 1.168 190 G CA 1.168 46.406 45.100 0.230 0.000 0.771 190 G HN 0.818 nan 8.290 nan 0.000 0.551 191 C N -5.185 114.497 119.300 0.638 0.000 3.306 191 C HA 0.535 4.998 4.460 0.005 0.000 0.335 191 C C 0.446 175.741 174.990 0.509 0.000 1.382 191 C CA -0.897 58.471 59.018 0.583 0.000 1.254 191 C CB 0.766 28.833 27.740 0.545 0.000 1.555 191 C HN 0.939 nan 8.230 nan 0.000 0.463 192 C N 2.271 121.792 119.300 0.367 0.000 3.896 192 C HA -0.131 4.333 4.460 0.005 0.000 0.300 192 C C 0.625 175.728 174.990 0.189 0.000 1.322 192 C CA 1.157 60.285 59.018 0.183 0.000 2.130 192 C CB -3.402 24.317 27.740 -0.036 0.000 1.363 192 C HN 1.255 nan 8.230 nan 0.000 0.642 193 H N 1.770 120.946 119.070 0.176 0.000 3.195 193 H HA -0.027 4.532 4.556 0.005 0.000 0.302 193 H C 0.537 175.838 175.328 -0.045 0.000 0.950 193 H CA 1.325 57.374 56.048 0.002 0.000 1.398 193 H CB 0.487 30.195 29.762 -0.090 0.000 1.377 193 H HN 0.695 nan 8.280 nan 0.000 0.572 194 N N 7.104 125.512 118.700 -0.488 0.000 2.469 194 N HA 0.145 4.889 4.740 0.005 0.000 0.253 194 N C -2.182 173.000 175.510 -0.546 0.000 0.970 194 N CA -2.133 50.740 53.050 -0.296 0.000 0.940 194 N CB 1.482 39.937 38.487 -0.054 0.000 1.128 194 N HN 0.446 nan 8.380 nan 0.000 0.503 195 P HA 0.139 nan 4.420 nan 0.000 0.282 195 P C 0.785 177.845 177.300 -0.400 0.000 1.327 195 P CA 0.204 63.031 63.100 -0.455 0.000 0.949 195 P CB 0.334 31.711 31.700 -0.537 0.000 1.445 196 T N -4.174 110.186 114.554 -0.324 0.000 2.985 196 T HA 0.138 4.492 4.350 0.005 0.000 0.266 196 T C 1.721 176.477 174.700 0.092 0.000 1.076 196 T CA 1.188 63.113 62.100 -0.292 0.000 1.135 196 T CB -1.375 67.290 68.868 -0.338 0.000 0.890 196 T HN 0.169 nan 8.240 nan 0.000 0.480 197 G N 1.478 110.382 108.800 0.173 0.000 2.166 197 G HA2 -0.190 3.774 3.960 0.005 0.000 0.260 197 G HA3 -0.190 3.774 3.960 0.005 0.000 0.260 197 G C 0.019 175.065 174.900 0.243 0.000 0.986 197 G CA 0.272 45.495 45.100 0.206 0.000 0.683 197 G HN 0.617 nan 8.290 nan 0.000 0.527 198 I N 1.128 121.865 120.570 0.279 0.000 2.339 198 I HA 0.441 4.614 4.170 0.005 0.000 0.290 198 I C -0.628 175.647 176.117 0.264 0.000 0.994 198 I CA -0.761 60.693 61.300 0.257 0.000 1.191 198 I CB 1.453 39.620 38.000 0.277 0.000 1.343 198 I HN -0.079 nan 8.210 nan 0.000 0.458 199 D N 7.323 127.847 120.400 0.207 0.000 2.340 199 D HA 0.479 5.122 4.640 0.005 0.000 0.240 199 D C -2.385 173.905 176.300 -0.017 0.000 1.001 199 D CA -1.347 52.773 54.000 0.200 0.000 0.888 199 D CB 1.681 42.665 40.800 0.307 0.000 1.310 199 D HN 0.169 nan 8.370 nan 0.000 0.474 200 P HA 0.048 nan 4.420 nan 0.000 0.267 200 P C 0.143 177.255 177.300 -0.314 0.000 1.200 200 P CA -0.081 62.705 63.100 -0.524 0.000 0.772 200 P CB 0.157 31.099 31.700 -1.263 0.000 0.855 201 T N 0.022 114.451 114.554 -0.209 0.000 2.748 201 T HA 0.022 4.376 4.350 0.005 0.000 0.304 201 T C 1.326 176.072 174.700 0.077 0.000 1.041 201 T CA -0.653 61.421 62.100 -0.043 0.000 1.033 201 T CB 0.256 69.079 68.868 -0.076 0.000 0.995 201 T HN 0.275 nan 8.240 nan 0.000 0.536 202 L N 0.043 121.383 121.223 0.196 0.000 2.043 202 L HA -0.150 4.193 4.340 0.005 0.000 0.212 202 L C 2.733 179.718 176.870 0.192 0.000 1.075 202 L CA 2.338 57.344 54.840 0.277 0.000 0.752 202 L CB -0.721 41.442 42.059 0.173 0.000 0.891 202 L HN 0.999 nan 8.230 nan 0.000 0.432 203 E N -0.649 119.591 120.200 0.067 0.000 2.110 203 E HA -0.284 4.069 4.350 0.005 0.000 0.193 203 E C 2.137 178.724 176.600 -0.021 0.000 0.988 203 E CA 1.388 57.797 56.400 0.016 0.000 0.804 203 E CB 0.048 29.726 29.700 -0.037 0.000 0.745 203 E HN 0.608 nan 8.360 nan 0.000 0.458 204 Q N -0.746 118.967 119.800 -0.145 0.000 2.079 204 Q HA -0.158 4.186 4.340 0.005 0.000 0.200 204 Q C 1.820 177.860 176.000 0.066 0.000 0.974 204 Q CA 1.483 57.107 55.803 -0.299 0.000 0.840 204 Q CB -0.197 28.116 28.738 -0.708 0.000 0.898 204 Q HN 0.445 nan 8.270 nan 0.000 0.430 205 W N 1.310 122.680 121.300 0.117 0.000 2.321 205 W HA -0.252 4.411 4.660 0.005 0.000 0.306 205 W C 2.329 178.951 176.519 0.171 0.000 1.217 205 W CA 0.955 58.431 57.345 0.219 0.000 1.257 205 W CB 0.037 29.616 29.460 0.199 0.000 1.145 205 W HN 0.257 nan 8.180 nan 0.000 0.509 206 Q N -0.921 119.075 119.800 0.327 0.000 2.119 206 Q HA -0.151 4.192 4.340 0.005 0.000 0.201 206 Q C 2.059 178.112 176.000 0.090 0.000 0.972 206 Q CA 1.933 57.826 55.803 0.150 0.000 0.847 206 Q CB -0.548 28.247 28.738 0.096 0.000 0.903 206 Q HN 0.190 nan 8.270 nan 0.000 0.433 207 T N 1.356 115.994 114.554 0.141 0.000 2.746 207 T HA -0.109 4.244 4.350 0.005 0.000 0.267 207 T C 1.833 176.631 174.700 0.164 0.000 1.039 207 T CA 0.929 63.125 62.100 0.159 0.000 1.142 207 T CB -0.173 68.856 68.868 0.269 0.000 0.866 207 T HN 0.168 nan 8.240 nan 0.000 0.444 208 L N 0.680 122.069 121.223 0.277 0.000 2.056 208 L HA -0.050 4.293 4.340 0.005 0.000 0.207 208 L C 3.043 179.922 176.870 0.015 0.000 1.078 208 L CA 1.071 56.085 54.840 0.290 0.000 0.749 208 L CB -0.697 41.653 42.059 0.485 0.000 0.901 208 L HN 0.228 nan 8.230 nan 0.000 0.433 209 A N -0.206 122.403 122.820 -0.352 0.000 1.883 209 A HA -0.328 3.995 4.320 0.005 0.000 0.217 209 A C 2.226 179.550 177.584 -0.434 0.000 1.186 209 A CA 2.188 53.666 52.037 -0.932 0.000 0.624 209 A CB -0.637 17.947 19.000 -0.694 0.000 0.822 209 A HN 0.415 nan 8.150 nan 0.000 0.444 210 Q N -0.548 119.101 119.800 -0.251 0.000 2.050 210 Q HA -0.092 4.251 4.340 0.005 0.000 0.202 210 Q C 1.999 177.859 176.000 -0.234 0.000 0.980 210 Q CA 1.590 57.265 55.803 -0.213 0.000 0.840 210 Q CB -0.336 28.328 28.738 -0.123 0.000 0.898 210 Q HN 0.635 nan 8.270 nan 0.000 0.424 211 L N -0.327 120.780 121.223 -0.193 0.000 2.012 211 L HA -0.221 4.122 4.340 0.005 0.000 0.210 211 L C 2.419 178.937 176.870 -0.587 0.000 1.073 211 L CA 1.889 56.552 54.840 -0.295 0.000 0.748 211 L CB -0.658 41.303 42.059 -0.163 0.000 0.891 211 L HN 0.386 nan 8.230 nan 0.000 0.431 212 S N -0.920 114.525 115.700 -0.424 0.000 2.370 212 S HA -0.166 4.307 4.470 0.005 0.000 0.226 212 S C 1.905 176.343 174.600 -0.270 0.000 1.033 212 S CA 1.542 59.539 58.200 -0.338 0.000 1.011 212 S CB -0.183 63.329 63.200 0.520 0.000 0.852 212 S HN 0.295 nan 8.310 nan 0.000 0.457 213 V N 1.682 121.402 119.914 -0.323 0.000 2.295 213 V HA -0.152 3.971 4.120 0.005 0.000 0.246 213 V C 2.489 178.408 176.094 -0.292 0.000 1.049 213 V CA 2.210 64.285 62.300 -0.374 0.000 1.024 213 V CB -0.795 30.744 31.823 -0.475 0.000 0.648 213 V HN 0.546 nan 8.190 nan 0.000 0.447 214 E N -0.382 119.627 120.200 -0.319 0.000 2.153 214 E HA -0.240 4.113 4.350 0.005 0.000 0.194 214 E C 2.072 178.493 176.600 -0.299 0.000 0.988 214 E CA 1.095 57.335 56.400 -0.267 0.000 0.811 214 E CB -0.041 29.512 29.700 -0.244 0.000 0.746 214 E HN 0.336 nan 8.360 nan 0.000 0.466 215 K N -0.898 119.199 120.400 -0.504 0.000 2.379 215 K HA 0.083 4.406 4.320 0.005 0.000 0.194 215 K C 0.614 176.985 176.600 -0.381 0.000 1.031 215 K CA 0.634 56.586 56.287 -0.559 0.000 1.037 215 K CB 0.857 32.643 32.500 -1.190 0.000 0.824 215 K HN 0.191 nan 8.250 nan 0.000 0.516 216 G N 0.630 109.263 108.800 -0.278 0.000 2.198 216 G HA2 -0.182 3.781 3.960 0.005 0.000 0.257 216 G HA3 -0.182 3.781 3.960 0.005 0.000 0.257 216 G C -0.558 174.445 174.900 0.171 0.000 1.042 216 G CA -0.074 45.011 45.100 -0.026 0.000 0.791 216 G HN 0.065 nan 8.290 nan 0.000 0.502 217 W N -0.907 120.477 121.300 0.141 0.000 2.251 217 W HA 0.662 5.325 4.660 0.006 0.000 0.329 217 W C 0.355 176.993 176.519 0.198 0.000 1.234 217 W CA -1.794 55.640 57.345 0.149 0.000 1.228 217 W CB 0.511 30.063 29.460 0.154 0.000 1.135 217 W HN 0.184 nan 8.180 nan 0.000 0.576 218 L N 5.834 127.289 121.223 0.387 0.000 2.261 218 L HA 0.404 4.747 4.340 0.005 0.000 0.289 218 L C -2.283 174.748 176.870 0.269 0.000 1.059 218 L CA -1.960 53.052 54.840 0.287 0.000 0.816 218 L CB 0.326 42.511 42.059 0.210 0.000 1.191 218 L HN 0.001 nan 8.230 nan 0.000 0.431 219 P HA 0.225 nan 4.420 nan 0.000 0.282 219 P C -1.167 176.261 177.300 0.212 0.000 1.262 219 P CA -0.060 63.212 63.100 0.286 0.000 0.773 219 P CB 0.846 32.749 31.700 0.339 0.000 0.879 220 L N 4.758 126.042 121.223 0.102 0.000 2.316 220 L HA 0.505 4.848 4.340 0.005 0.000 0.280 220 L C -1.133 175.748 176.870 0.019 0.000 1.006 220 L CA -0.855 54.051 54.840 0.110 0.000 0.836 220 L CB 0.349 42.439 42.059 0.052 0.000 1.221 220 L HN 0.172 nan 8.230 nan 0.000 0.418 221 F N 3.152 123.143 119.950 0.067 0.000 2.411 221 F HA 0.246 4.776 4.527 0.005 0.000 0.350 221 F C 0.543 176.380 175.800 0.062 0.000 1.114 221 F CA -0.248 57.776 58.000 0.039 0.000 1.135 221 F CB 0.934 39.877 39.000 -0.096 0.000 1.120 221 F HN 0.402 nan 8.300 nan 0.000 0.495 222 D N 4.329 124.812 120.400 0.139 0.000 2.359 222 D HA 0.115 4.758 4.640 0.005 0.000 0.230 222 D C -1.347 175.083 176.300 0.217 0.000 1.118 222 D CA -0.118 53.935 54.000 0.089 0.000 0.844 222 D CB 0.392 41.131 40.800 -0.102 0.000 1.059 222 D HN 0.224 nan 8.370 nan 0.000 0.493 223 F N 3.805 123.761 119.950 0.010 0.000 2.564 223 F HA 0.484 5.014 4.527 0.006 0.000 0.361 223 F C 0.198 175.947 175.800 -0.086 0.000 1.161 223 F CA -1.319 56.695 58.000 0.024 0.000 1.198 223 F CB 0.731 39.737 39.000 0.010 0.000 1.424 223 F HN 0.427 nan 8.300 nan 0.000 0.517 224 A N 2.794 125.579 122.820 -0.059 0.000 2.303 224 A HA 0.174 4.497 4.320 0.005 0.000 0.217 224 A C -0.055 177.201 177.584 -0.546 0.000 1.205 224 A CA 0.382 52.178 52.037 -0.401 0.000 0.875 224 A CB -0.255 18.397 19.000 -0.581 0.000 0.910 224 A HN 0.508 nan 8.150 nan 0.000 0.501 225 Y N -0.057 120.232 120.300 -0.017 0.000 2.715 225 Y HA 0.289 4.842 4.550 0.005 0.000 0.255 225 Y C 0.609 176.581 175.900 0.120 0.000 1.139 225 Y CA -0.780 57.408 58.100 0.147 0.000 1.151 225 Y CB 0.010 38.574 38.460 0.174 0.000 1.201 225 Y HN 0.381 nan 8.280 nan 0.000 0.556 226 Q N 0.826 120.495 119.800 -0.218 0.000 2.247 226 Q HA 0.325 4.669 4.340 0.005 0.000 0.288 226 Q C 1.152 177.101 176.000 -0.085 0.000 1.079 226 Q CA 1.522 57.148 55.803 -0.295 0.000 0.932 226 Q CB 0.166 28.421 28.738 -0.806 0.000 1.133 226 Q HN 0.775 nan 8.270 nan 0.000 0.377 227 G N 3.301 112.079 108.800 -0.038 0.000 2.218 227 G HA2 -0.264 3.700 3.960 0.005 0.000 0.216 227 G HA3 -0.264 3.700 3.960 0.005 0.000 0.216 227 G C 0.224 174.965 174.900 -0.266 0.000 0.994 227 G CA 0.051 45.021 45.100 -0.217 0.000 0.637 227 G HN 0.664 nan 8.290 nan 0.000 0.505 228 F N 1.255 121.228 119.950 0.039 0.000 2.746 228 F HA 0.558 5.088 4.527 0.005 0.000 0.297 228 F C 2.482 178.311 175.800 0.048 0.000 1.113 228 F CA 1.079 59.102 58.000 0.039 0.000 1.367 228 F CB 0.409 39.467 39.000 0.097 0.000 1.111 228 F HN 0.350 nan 8.300 nan 0.000 0.590 229 A N 0.399 123.362 122.820 0.238 0.000 1.896 229 A HA 0.136 4.460 4.320 0.005 0.000 0.213 229 A C 2.046 179.705 177.584 0.125 0.000 1.306 229 A CA 0.827 52.978 52.037 0.191 0.000 0.626 229 A CB -0.078 19.061 19.000 0.233 0.000 0.994 229 A HN 0.227 nan 8.150 nan 0.000 0.475 230 R N -2.414 118.147 120.500 0.102 0.000 2.444 230 R HA 0.392 4.736 4.340 0.005 0.000 0.201 230 R C 0.542 176.844 176.300 0.004 0.000 0.861 230 R CA 0.618 56.752 56.100 0.056 0.000 1.034 230 R CB 1.275 31.619 30.300 0.074 0.000 1.347 230 R HN 0.627 nan 8.270 nan 0.000 0.659 234 E N 1.392 121.607 120.200 0.025 0.000 2.072 234 E HA -0.150 4.204 4.350 0.005 0.000 0.190 234 E C 1.628 178.259 176.600 0.052 0.000 0.982 234 E CA 1.502 57.925 56.400 0.039 0.000 0.803 234 E CB 0.104 29.817 29.700 0.020 0.000 0.755 234 E HN 0.463 nan 8.360 nan 0.000 0.453 235 E N 1.176 121.406 120.200 0.051 0.000 2.085 235 E HA -0.164 4.189 4.350 0.005 0.000 0.194 235 E C 1.612 178.276 176.600 0.108 0.000 0.994 235 E CA 1.318 57.760 56.400 0.069 0.000 0.801 235 E CB -0.133 29.606 29.700 0.065 0.000 0.743 235 E HN 0.162 nan 8.360 nan 0.000 0.453 236 D N -0.250 120.240 120.400 0.150 0.000 2.310 236 D HA -0.040 4.603 4.640 0.005 0.000 0.212 236 D C 1.212 177.654 176.300 0.236 0.000 0.965 236 D CA 1.082 55.231 54.000 0.249 0.000 0.879 236 D CB -0.051 40.941 40.800 0.319 0.000 0.921 236 D HN 0.222 nan 8.370 nan 0.000 0.510 237 A N 0.146 123.060 122.820 0.157 0.000 2.275 237 A HA 0.053 4.376 4.320 0.005 0.000 0.212 237 A C 1.765 179.235 177.584 -0.191 0.000 1.201 237 A CA -0.016 51.998 52.037 -0.038 0.000 0.843 237 A CB -0.106 18.942 19.000 0.080 0.000 0.873 237 A HN 0.058 nan 8.150 nan 0.000 0.492 238 E N 0.072 120.204 120.200 -0.113 0.000 2.085 238 E HA -0.177 4.177 4.350 0.005 0.000 0.194 238 E C 2.102 178.528 176.600 -0.290 0.000 0.994 238 E CA 1.159 57.489 56.400 -0.117 0.000 0.801 238 E CB -0.230 29.471 29.700 0.002 0.000 0.743 238 E HN 0.612 nan 8.360 nan 0.000 0.453 239 G N 1.438 109.855 108.800 -0.638 0.000 2.433 239 G HA2 -0.251 3.713 3.960 0.005 0.000 0.216 239 G HA3 -0.251 3.713 3.960 0.005 0.000 0.216 239 G C 1.530 175.839 174.900 -0.985 0.000 1.186 239 G CA 0.325 44.595 45.100 -1.384 0.000 0.779 239 G HN 0.155 nan 8.290 nan 0.000 0.543 240 L N 0.057 120.601 121.223 -1.131 0.000 2.013 240 L HA -0.123 4.220 4.340 0.005 0.000 0.212 240 L C 3.175 179.738 176.870 -0.512 0.000 1.073 240 L CA 1.601 55.699 54.840 -1.237 0.000 0.753 240 L CB -0.236 41.112 42.059 -1.185 0.000 0.890 240 L HN 0.225 nan 8.230 nan 0.000 0.432 241 R N -0.684 119.633 120.500 -0.305 0.000 2.092 241 R HA -0.123 4.220 4.340 0.005 0.000 0.231 241 R C 2.308 178.577 176.300 -0.051 0.000 1.119 241 R CA 1.154 57.199 56.100 -0.092 0.000 0.970 241 R CB -0.386 29.886 30.300 -0.046 0.000 0.864 241 R HN 0.466 nan 8.270 nan 0.000 0.440 242 A N 0.632 123.418 122.820 -0.055 0.000 1.908 242 A HA -0.177 4.146 4.320 0.005 0.000 0.218 242 A C 1.849 179.475 177.584 0.070 0.000 1.181 242 A CA 1.268 53.321 52.037 0.027 0.000 0.627 242 A CB -0.565 18.489 19.000 0.091 0.000 0.818 242 A HN 0.204 nan 8.150 nan 0.000 0.445 243 F N 0.032 119.947 119.950 -0.060 0.000 2.146 243 F HA -0.034 4.496 4.527 0.006 0.000 0.298 243 F C 2.776 178.642 175.800 0.109 0.000 1.096 243 F CA 0.970 59.029 58.000 0.098 0.000 1.275 243 F CB -0.518 38.514 39.000 0.054 0.000 1.008 243 F HN 0.250 nan 8.300 nan 0.000 0.480 244 A N -0.296 122.601 122.820 0.128 0.000 2.019 244 A HA -0.053 4.271 4.320 0.005 0.000 0.219 244 A C 2.324 179.901 177.584 -0.012 0.000 1.164 244 A CA 1.558 53.605 52.037 0.017 0.000 0.644 244 A CB -1.197 17.742 19.000 -0.102 0.000 0.805 244 A HN 0.299 nan 8.150 nan 0.000 0.449 245 A N -1.642 121.174 122.820 -0.006 0.000 2.066 245 A HA 0.063 4.386 4.320 0.005 0.000 0.218 245 A C 2.015 179.575 177.584 -0.041 0.000 1.157 245 A CA 1.582 53.600 52.037 -0.032 0.000 0.670 245 A CB -0.252 18.730 19.000 -0.030 0.000 0.804 245 A HN 0.421 nan 8.150 nan 0.000 0.453 246 M N -1.445 118.136 119.600 -0.031 0.000 2.571 246 M HA 0.201 4.685 4.480 0.005 0.000 0.259 246 M C -0.086 176.104 176.300 -0.184 0.000 1.205 246 M CA 0.581 55.802 55.300 -0.132 0.000 1.138 246 M CB -0.562 31.899 32.600 -0.231 0.000 1.329 246 M HN 0.398 nan 8.290 nan 0.000 0.503 247 H N -0.193 118.859 119.070 -0.030 0.000 2.479 247 H HA 0.275 4.834 4.556 0.006 0.000 0.335 247 H C 0.769 176.102 175.328 0.008 0.000 1.142 247 H CA -0.071 55.987 56.048 0.015 0.000 1.234 247 H CB 1.698 31.525 29.762 0.108 0.000 1.503 247 H HN -0.085 nan 8.280 nan 0.000 0.510 248 K N 0.873 121.355 120.400 0.137 0.000 2.116 248 K HA 0.019 4.342 4.320 0.005 0.000 0.203 248 K C -0.289 176.380 176.600 0.114 0.000 1.052 248 K CA 1.035 57.375 56.287 0.088 0.000 0.952 248 K CB 0.388 32.926 32.500 0.064 0.000 0.729 248 K HN 0.610 nan 8.250 nan 0.000 0.446 249 E N 0.778 121.087 120.200 0.183 0.000 2.293 249 E HA 0.474 4.827 4.350 0.005 0.000 0.270 249 E C -1.029 175.682 176.600 0.185 0.000 0.879 249 E CA -0.587 55.914 56.400 0.170 0.000 0.756 249 E CB 2.381 32.187 29.700 0.176 0.000 1.208 249 E HN 0.013 nan 8.360 nan 0.000 0.428 250 L N -0.330 120.993 121.223 0.167 0.000 2.940 250 L HA 0.624 4.968 4.340 0.005 0.000 0.270 250 L C -1.861 175.129 176.870 0.201 0.000 1.030 250 L CA -0.917 54.035 54.840 0.188 0.000 0.928 250 L CB 1.321 43.491 42.059 0.185 0.000 1.506 250 L HN 0.626 nan 8.230 nan 0.000 0.405 251 I N 1.335 122.044 120.570 0.231 0.000 2.608 251 I HA 0.623 4.797 4.170 0.005 0.000 0.295 251 I C -0.788 175.478 176.117 0.247 0.000 1.049 251 I CA -0.973 60.459 61.300 0.219 0.000 1.063 251 I CB 2.304 40.435 38.000 0.219 0.000 1.248 251 I HN 0.339 nan 8.210 nan 0.000 0.424 252 V N 4.423 124.465 119.914 0.212 0.000 2.448 252 V HA 0.642 4.765 4.120 0.005 0.000 0.295 252 V C 0.054 176.248 176.094 0.167 0.000 1.025 252 V CA -0.653 61.767 62.300 0.201 0.000 0.859 252 V CB 1.599 33.496 31.823 0.124 0.000 0.988 252 V HN 0.802 nan 8.190 nan 0.000 0.431 253 A N 3.865 126.790 122.820 0.175 0.000 2.322 253 A HA 0.756 5.079 4.320 0.005 0.000 0.327 253 A C 0.316 177.954 177.584 0.091 0.000 1.394 253 A CA -0.297 51.821 52.037 0.135 0.000 0.921 253 A CB 0.391 19.483 19.000 0.153 0.000 1.153 253 A HN 0.995 nan 8.150 nan 0.000 0.523 254 S N 1.382 117.095 115.700 0.021 0.000 2.664 254 S HA 0.856 5.329 4.470 0.005 0.000 0.304 254 S C -0.110 174.356 174.600 -0.224 0.000 1.099 254 S CA -0.517 57.621 58.200 -0.104 0.000 1.003 254 S CB 1.789 64.880 63.200 -0.181 0.000 1.092 254 S HN 1.050 nan 8.310 nan 0.000 0.525 255 S N -0.186 115.285 115.700 -0.381 0.000 2.541 255 S HA 0.584 5.057 4.470 0.005 0.000 0.280 255 S C -1.364 172.944 174.600 -0.487 0.000 1.112 255 S CA -0.613 57.389 58.200 -0.330 0.000 0.925 255 S CB 0.765 63.826 63.200 -0.232 0.000 1.067 255 S HN 0.680 nan 8.310 nan 0.000 0.479 256 Y N 1.830 122.110 120.300 -0.033 0.000 2.507 256 Y HA 0.382 4.935 4.550 0.005 0.000 0.254 256 Y C 1.533 177.436 175.900 0.005 0.000 1.171 256 Y CA -0.328 57.784 58.100 0.020 0.000 1.238 256 Y CB 0.016 38.410 38.460 -0.109 0.000 1.148 256 Y HN 0.461 nan 8.280 nan 0.000 0.525 260 F N 1.938 122.006 119.950 0.195 0.000 2.682 260 F HA 0.592 5.122 4.527 0.005 0.000 0.308 260 F C 1.220 177.011 175.800 -0.015 0.000 1.093 260 F CA 0.411 58.484 58.000 0.122 0.000 1.244 260 F CB 0.979 39.944 39.000 -0.058 0.000 1.052 260 F HN 0.201 nan 8.300 nan 0.000 0.573 261 A N 0.997 123.805 122.820 -0.020 0.000 2.640 261 A HA -0.243 4.080 4.320 0.005 0.000 0.300 261 A C 0.563 177.968 177.584 -0.299 0.000 1.499 261 A CA 0.761 52.612 52.037 -0.311 0.000 0.759 261 A CB -2.071 16.988 19.000 0.100 0.000 1.048 261 A HN 0.471 nan 8.150 nan 0.000 0.450 262 L N -0.961 120.055 121.223 -0.345 0.000 3.110 262 L HA 0.197 4.541 4.340 0.005 0.000 0.266 262 L C 1.471 178.298 176.870 -0.072 0.000 1.257 262 L CA -0.372 54.407 54.840 -0.101 0.000 1.038 262 L CB -0.120 41.923 42.059 -0.027 0.000 1.395 262 L HN 0.654 nan 8.230 nan 0.000 0.566 263 Y N 0.409 120.771 120.300 0.102 0.000 2.030 263 Y HA -0.404 4.150 4.550 0.006 0.000 0.272 263 Y C 2.356 178.286 175.900 0.051 0.000 1.185 263 Y CA 2.304 60.448 58.100 0.073 0.000 1.120 263 Y CB -0.853 37.649 38.460 0.070 0.000 0.955 263 Y HN 0.516 nan 8.280 nan 0.000 0.495 264 N N -0.364 118.475 118.700 0.232 0.000 2.521 264 N HA -0.108 4.636 4.740 0.005 0.000 0.188 264 N C 0.879 176.434 175.510 0.075 0.000 1.146 264 N CA 0.595 53.722 53.050 0.129 0.000 0.893 264 N CB -0.058 38.494 38.487 0.109 0.000 0.975 264 N HN 0.365 nan 8.380 nan 0.000 0.451 265 E N 0.859 121.099 120.200 0.068 0.000 2.474 265 E HA 0.019 4.372 4.350 0.005 0.000 0.194 265 E C -0.159 176.439 176.600 -0.003 0.000 1.041 265 E CA 0.017 56.441 56.400 0.040 0.000 0.874 265 E CB 0.168 29.904 29.700 0.059 0.000 0.914 265 E HN 0.267 nan 8.360 nan 0.000 0.498 266 R N -0.227 120.276 120.500 0.005 0.000 2.994 266 R HA -0.111 4.233 4.340 0.005 0.000 0.267 266 R C -0.843 175.431 176.300 -0.043 0.000 0.914 266 R CA 0.192 56.280 56.100 -0.020 0.000 0.668 266 R CB -3.068 27.201 30.300 -0.053 0.000 1.524 266 R HN -0.083 nan 8.270 nan 0.000 0.478 267 V N 0.667 120.582 119.914 0.001 0.000 2.349 267 V HA 0.833 4.956 4.120 0.005 0.000 0.284 267 V C 1.055 177.258 176.094 0.182 0.000 1.014 267 V CA 0.071 62.398 62.300 0.044 0.000 0.826 267 V CB 1.932 33.773 31.823 0.030 0.000 1.009 267 V HN 0.736 nan 8.190 nan 0.000 0.431 268 G N 2.816 111.726 108.800 0.183 0.000 2.827 268 G HA2 0.942 4.905 3.960 0.005 0.000 0.296 268 G HA3 0.942 4.905 3.960 0.005 0.000 0.296 268 G C -1.381 173.697 174.900 0.296 0.000 1.362 268 G CA -0.217 44.991 45.100 0.179 0.000 0.809 268 G HN 1.124 nan 8.290 nan 0.000 0.522 269 A N -1.715 121.217 122.820 0.187 0.000 2.547 269 A HA 0.591 4.915 4.320 0.005 0.000 0.297 269 A C -1.244 176.433 177.584 0.154 0.000 1.056 269 A CA -0.318 51.861 52.037 0.237 0.000 0.688 269 A CB 1.325 20.467 19.000 0.235 0.000 1.282 269 A HN 1.710 nan 8.150 nan 0.000 0.400 270 C N 2.001 121.412 119.300 0.185 0.000 2.281 270 C HA 0.790 5.253 4.460 0.005 0.000 0.323 270 C C 0.086 175.175 174.990 0.165 0.000 1.270 270 C CA 0.098 59.217 59.018 0.168 0.000 1.559 270 C CB -0.475 27.372 27.740 0.178 0.000 2.239 270 C HN 0.792 nan 8.230 nan 0.000 0.488 271 T N 7.072 121.705 114.554 0.131 0.000 2.770 271 T HA 0.395 4.749 4.350 0.005 0.000 0.283 271 T C -0.519 174.252 174.700 0.117 0.000 0.988 271 T CA -0.173 61.993 62.100 0.110 0.000 0.957 271 T CB 0.916 69.850 68.868 0.111 0.000 0.930 271 T HN 0.638 nan 8.240 nan 0.000 0.443 272 L N 4.447 125.702 121.223 0.054 0.000 2.295 272 L HA 0.666 5.009 4.340 0.005 0.000 0.285 272 L C -0.909 175.982 176.870 0.035 0.000 1.035 272 L CA -0.734 54.131 54.840 0.041 0.000 0.806 272 L CB 1.248 43.303 42.059 -0.008 0.000 1.214 272 L HN 0.375 nan 8.230 nan 0.000 0.426 273 V N 4.136 124.092 119.914 0.069 0.000 2.495 273 V HA 0.771 4.894 4.120 0.005 0.000 0.298 273 V C 0.082 176.208 176.094 0.054 0.000 1.031 273 V CA -0.421 61.894 62.300 0.025 0.000 0.871 273 V CB 1.485 33.301 31.823 -0.012 0.000 0.988 273 V HN 0.915 nan 8.190 nan 0.000 0.432 274 A N 3.299 126.137 122.820 0.031 0.000 2.443 274 A HA 0.924 5.248 4.320 0.005 0.000 0.278 274 A C 1.109 178.709 177.584 0.027 0.000 1.252 274 A CA 0.088 52.158 52.037 0.055 0.000 0.816 274 A CB 1.193 20.238 19.000 0.075 0.000 1.369 274 A HN 1.120 nan 8.150 nan 0.000 0.446 275 A N -0.603 122.240 122.820 0.038 0.000 1.933 275 A HA 0.256 4.579 4.320 0.005 0.000 0.218 275 A C 0.539 178.125 177.584 0.004 0.000 1.175 275 A CA 2.320 54.369 52.037 0.020 0.000 0.628 275 A CB -0.704 18.312 19.000 0.027 0.000 0.814 275 A HN 1.044 nan 8.150 nan 0.000 0.444 276 D N -4.581 115.825 120.400 0.010 0.000 2.643 276 D HA 0.347 4.990 4.640 0.005 0.000 0.283 276 D C 0.463 176.767 176.300 0.005 0.000 1.242 276 D CA 0.111 54.112 54.000 0.002 0.000 0.863 276 D CB 0.530 41.334 40.800 0.006 0.000 1.382 276 D HN -0.155 nan 8.370 nan 0.000 0.444 277 S N -0.838 114.862 115.700 0.000 0.000 2.382 277 S HA -0.233 4.240 4.470 0.005 0.000 0.228 277 S C 1.451 176.063 174.600 0.020 0.000 1.027 277 S CA 1.950 60.151 58.200 0.002 0.000 0.991 277 S CB -0.392 62.806 63.200 -0.002 0.000 0.823 277 S HN 0.537 nan 8.310 nan 0.000 0.469 278 E N -0.383 119.832 120.200 0.025 0.000 2.051 278 E HA -0.127 4.227 4.350 0.005 0.000 0.192 278 E C 1.878 178.508 176.600 0.051 0.000 0.991 278 E CA 1.646 58.067 56.400 0.036 0.000 0.799 278 E CB -0.304 29.415 29.700 0.031 0.000 0.748 278 E HN 0.554 nan 8.360 nan 0.000 0.449 279 T N 0.526 115.111 114.554 0.051 0.000 2.737 279 T HA -0.124 4.229 4.350 0.005 0.000 0.265 279 T C 1.858 176.612 174.700 0.090 0.000 1.038 279 T CA 1.133 63.276 62.100 0.071 0.000 1.144 279 T CB -0.276 68.632 68.868 0.067 0.000 0.866 279 T HN 0.068 nan 8.240 nan 0.000 0.434 280 V N 1.806 121.760 119.914 0.068 0.000 2.427 280 V HA -0.157 3.966 4.120 0.005 0.000 0.248 280 V C 1.988 178.144 176.094 0.103 0.000 1.051 280 V CA 1.912 64.254 62.300 0.069 0.000 1.048 280 V CB -0.502 31.325 31.823 0.007 0.000 0.666 280 V HN 0.376 nan 8.190 nan 0.000 0.456 281 D N -0.311 120.142 120.400 0.088 0.000 2.117 281 D HA -0.175 4.468 4.640 0.005 0.000 0.198 281 D C 2.231 178.627 176.300 0.161 0.000 0.982 281 D CA 1.573 55.649 54.000 0.128 0.000 0.828 281 D CB -0.321 40.531 40.800 0.087 0.000 0.967 281 D HN 0.443 nan 8.370 nan 0.000 0.464 282 R N 0.733 121.309 120.500 0.126 0.000 2.073 282 R HA -0.081 4.262 4.340 0.005 0.000 0.234 282 R C 2.097 178.497 176.300 0.166 0.000 1.134 282 R CA 1.529 57.703 56.100 0.123 0.000 0.952 282 R CB -0.187 30.173 30.300 0.098 0.000 0.850 282 R HN 0.097 nan 8.270 nan 0.000 0.433 283 A N 0.360 123.302 122.820 0.203 0.000 1.902 283 A HA -0.187 4.136 4.320 0.005 0.000 0.217 283 A C 1.986 179.723 177.584 0.254 0.000 1.181 283 A CA 1.246 53.465 52.037 0.302 0.000 0.623 283 A CB -0.790 18.409 19.000 0.332 0.000 0.818 283 A HN 0.521 nan 8.150 nan 0.000 0.443 284 F N 1.286 121.243 119.950 0.011 0.000 2.234 284 F HA 0.020 4.550 4.527 0.005 0.000 0.299 284 F C 2.285 178.083 175.800 -0.004 0.000 1.087 284 F CA 0.804 58.769 58.000 -0.059 0.000 1.340 284 F CB -0.737 38.241 39.000 -0.036 0.000 1.031 284 F HN 0.208 nan 8.300 nan 0.000 0.500 285 G N -0.289 108.546 108.800 0.059 0.000 2.476 285 G HA2 -0.272 3.691 3.960 0.005 0.000 0.218 285 G HA3 -0.272 3.691 3.960 0.005 0.000 0.218 285 G C 1.535 176.414 174.900 -0.035 0.000 1.164 285 G CA 0.769 45.859 45.100 -0.017 0.000 0.768 285 G HN 0.331 nan 8.290 nan 0.000 0.560 286 Q N -0.515 119.333 119.800 0.079 0.000 2.172 286 Q HA 0.051 4.394 4.340 0.005 0.000 0.200 286 Q C 2.417 178.513 176.000 0.161 0.000 0.964 286 Q CA 0.939 56.832 55.803 0.150 0.000 0.855 286 Q CB -0.298 28.601 28.738 0.268 0.000 0.918 286 Q HN 0.642 nan 8.270 nan 0.000 0.444 287 M N 0.779 120.389 119.600 0.017 0.000 2.117 287 M HA -0.199 4.284 4.480 0.005 0.000 0.262 287 M C 1.750 177.894 176.300 -0.260 0.000 1.065 287 M CA 1.603 56.795 55.300 -0.179 0.000 1.114 287 M CB 0.088 32.402 32.600 -0.478 0.000 1.361 287 M HN -0.049 nan 8.290 nan 0.000 0.408 288 K N 0.249 120.391 120.400 -0.430 0.000 2.097 288 K HA -0.110 4.213 4.320 0.005 0.000 0.206 288 K C 1.985 178.469 176.600 -0.194 0.000 1.049 288 K CA 1.475 57.550 56.287 -0.352 0.000 0.933 288 K CB -0.374 31.899 32.500 -0.378 0.000 0.717 288 K HN 0.482 nan 8.250 nan 0.000 0.442 289 A N 1.377 124.124 122.820 -0.122 0.000 1.940 289 A HA -0.149 4.174 4.320 0.005 0.000 0.219 289 A C 2.346 179.892 177.584 -0.064 0.000 1.176 289 A CA 1.900 53.893 52.037 -0.072 0.000 0.631 289 A CB -0.717 18.268 19.000 -0.025 0.000 0.814 289 A HN 0.344 nan 8.150 nan 0.000 0.446 290 A N -0.309 122.492 122.820 -0.032 0.000 1.969 290 A HA -0.024 4.300 4.320 0.005 0.000 0.218 290 A C 2.073 179.597 177.584 -0.099 0.000 1.169 290 A CA 1.433 53.462 52.037 -0.012 0.000 0.635 290 A CB -0.530 18.521 19.000 0.085 0.000 0.810 290 A HN 0.508 nan 8.150 nan 0.000 0.445 291 I N -1.048 119.416 120.570 -0.176 0.000 2.286 291 I HA -0.192 3.982 4.170 0.005 0.000 0.245 291 I C 2.626 178.506 176.117 -0.395 0.000 1.104 291 I CA 1.378 62.456 61.300 -0.370 0.000 1.397 291 I CB -0.276 37.515 38.000 -0.348 0.000 1.072 291 I HN 0.362 nan 8.210 nan 0.000 0.417 292 R N 1.618 121.973 120.500 -0.243 0.000 2.127 292 R HA -0.160 4.183 4.340 0.005 0.000 0.238 292 R C 2.015 178.222 176.300 -0.156 0.000 1.134 292 R CA 1.639 57.625 56.100 -0.190 0.000 0.975 292 R CB -0.176 30.044 30.300 -0.134 0.000 0.865 292 R HN 0.354 nan 8.270 nan 0.000 0.447 293 A N 0.189 122.932 122.820 -0.129 0.000 2.238 293 A HA -0.014 4.309 4.320 0.005 0.000 0.208 293 A C 1.251 178.788 177.584 -0.079 0.000 1.177 293 A CA 0.450 52.438 52.037 -0.082 0.000 0.804 293 A CB -0.223 18.748 19.000 -0.049 0.000 0.823 293 A HN 0.414 nan 8.150 nan 0.000 0.482 294 N N -0.812 117.800 118.700 -0.147 0.000 2.871 294 N HA 0.075 4.819 4.740 0.005 0.000 0.204 294 N C 0.911 176.377 175.510 -0.073 0.000 1.233 294 N CA 1.251 54.241 53.050 -0.100 0.000 1.124 294 N CB -0.106 38.318 38.487 -0.105 0.000 1.414 294 N HN 0.344 nan 8.380 nan 0.000 0.511 295 Y N -1.019 119.284 120.300 0.004 0.000 2.481 295 Y HA 0.548 5.102 4.550 0.006 0.000 0.247 295 Y C 1.306 177.209 175.900 0.005 0.000 1.151 295 Y CA 0.491 58.596 58.100 0.008 0.000 1.238 295 Y CB -0.073 38.395 38.460 0.012 0.000 1.179 295 Y HN 0.266 nan 8.280 nan 0.000 0.524 296 S N 0.619 116.135 115.700 -0.307 0.000 1.539 296 S HA -0.265 4.209 4.470 0.005 0.000 0.239 296 S C 0.366 174.900 174.600 -0.109 0.000 0.755 296 S CA 1.657 59.750 58.200 -0.179 0.000 1.322 296 S CB -1.875 61.273 63.200 -0.086 0.000 1.628 296 S HN 1.397 nan 8.310 nan 0.000 0.515 297 S N 1.418 117.182 115.700 0.108 0.000 2.547 297 S HA 0.773 5.246 4.470 0.005 0.000 0.270 297 S C -3.383 171.422 174.600 0.342 0.000 1.150 297 S CA -0.675 57.638 58.200 0.188 0.000 0.850 297 S CB 2.454 65.739 63.200 0.142 0.000 1.118 297 S HN 0.546 nan 8.310 nan 0.000 0.461 298 P HA 0.518 nan 4.420 nan 0.000 0.281 298 P C -2.867 174.433 177.300 -0.000 0.000 1.264 298 P CA -1.831 61.325 63.100 0.094 0.000 0.824 298 P CB -0.305 31.414 31.700 0.033 0.000 1.092 299 P HA 0.137 nan 4.420 nan 0.000 0.276 299 P C 0.387 177.633 177.300 -0.091 0.000 1.243 299 P CA -0.087 62.976 63.100 -0.062 0.000 0.768 299 P CB 0.743 32.400 31.700 -0.072 0.000 0.856 300 A N 3.180 125.965 122.820 -0.058 0.000 1.897 300 A HA -0.212 4.111 4.320 0.005 0.000 0.215 300 A C 2.149 179.684 177.584 -0.081 0.000 1.181 300 A CA 1.679 53.669 52.037 -0.079 0.000 0.620 300 A CB -1.546 17.428 19.000 -0.044 0.000 0.821 300 A HN 0.681 nan 8.150 nan 0.000 0.443 301 H N -0.326 118.677 119.070 -0.112 0.000 2.270 301 H HA -0.042 4.517 4.556 0.005 0.000 0.299 301 H C 2.191 177.446 175.328 -0.123 0.000 1.077 301 H CA 2.301 58.291 56.048 -0.098 0.000 1.294 301 H CB -0.578 29.141 29.762 -0.072 0.000 1.371 301 H HN 0.321 nan 8.280 nan 0.000 0.491 302 G N -0.212 108.508 108.800 -0.132 0.000 2.418 302 G HA2 -0.241 3.723 3.960 0.005 0.000 0.217 302 G HA3 -0.241 3.723 3.960 0.005 0.000 0.217 302 G C 1.911 176.616 174.900 -0.324 0.000 1.158 302 G CA 0.935 45.903 45.100 -0.220 0.000 0.771 302 G HN 0.631 nan 8.290 nan 0.000 0.545 303 A N 0.818 123.423 122.820 -0.359 0.000 1.933 303 A HA 0.006 4.329 4.320 0.005 0.000 0.218 303 A C 2.700 180.092 177.584 -0.321 0.000 1.175 303 A CA 2.248 53.976 52.037 -0.515 0.000 0.628 303 A CB -0.606 17.844 19.000 -0.916 0.000 0.814 303 A HN 0.312 nan 8.150 nan 0.000 0.444 304 S N -0.384 115.151 115.700 -0.275 0.000 2.370 304 S HA -0.150 4.323 4.470 0.005 0.000 0.226 304 S C 1.901 176.364 174.600 -0.227 0.000 1.033 304 S CA 1.440 59.522 58.200 -0.197 0.000 1.011 304 S CB -0.565 62.540 63.200 -0.158 0.000 0.852 304 S HN 0.355 nan 8.310 nan 0.000 0.457 305 V N 1.557 121.271 119.914 -0.332 0.000 2.255 305 V HA -0.182 3.941 4.120 0.005 0.000 0.247 305 V C 2.354 178.214 176.094 -0.389 0.000 1.051 305 V CA 1.666 63.771 62.300 -0.325 0.000 1.018 305 V CB -0.801 30.805 31.823 -0.361 0.000 0.641 305 V HN 0.341 nan 8.190 nan 0.000 0.445 306 V N 0.179 119.747 119.914 -0.577 0.000 2.287 306 V HA -0.303 3.820 4.120 0.005 0.000 0.248 306 V C 2.705 178.463 176.094 -0.560 0.000 1.053 306 V CA 2.228 63.972 62.300 -0.926 0.000 1.027 306 V CB -1.205 29.890 31.823 -1.213 0.000 0.646 306 V HN 0.583 nan 8.190 nan 0.000 0.447 307 A N -0.536 122.112 122.820 -0.286 0.000 1.908 307 A HA -0.247 4.077 4.320 0.005 0.000 0.218 307 A C 2.391 179.868 177.584 -0.178 0.000 1.181 307 A CA 2.583 54.515 52.037 -0.174 0.000 0.627 307 A CB -1.030 17.950 19.000 -0.034 0.000 0.818 307 A HN 0.516 nan 8.150 nan 0.000 0.445 308 T N 0.264 114.712 114.554 -0.177 0.000 2.684 308 T HA -0.120 4.234 4.350 0.005 0.000 0.267 308 T C 1.802 176.390 174.700 -0.187 0.000 1.036 308 T CA 1.641 63.636 62.100 -0.176 0.000 1.148 308 T CB -0.394 68.386 68.868 -0.147 0.000 0.863 308 T HN 0.434 nan 8.240 nan 0.000 0.436 309 I N 0.507 120.964 120.570 -0.188 0.000 2.202 309 I HA -0.088 4.085 4.170 0.005 0.000 0.242 309 I C 2.226 178.266 176.117 -0.128 0.000 1.091 309 I CA 1.125 62.347 61.300 -0.129 0.000 1.368 309 I CB -0.307 37.647 38.000 -0.078 0.000 1.058 309 I HN 0.181 nan 8.210 nan 0.000 0.410 310 L N 0.269 121.368 121.223 -0.206 0.000 2.201 310 L HA -0.150 4.193 4.340 0.005 0.000 0.212 310 L C 2.440 179.248 176.870 -0.103 0.000 1.105 310 L CA 1.464 56.203 54.840 -0.168 0.000 0.775 310 L CB -0.507 41.399 42.059 -0.256 0.000 0.913 310 L HN 0.369 nan 8.230 nan 0.000 0.440 311 S N -2.190 113.440 115.700 -0.115 0.000 2.575 311 S HA -0.006 4.467 4.470 0.005 0.000 0.215 311 S C 0.562 175.114 174.600 -0.080 0.000 0.966 311 S CA -0.425 57.723 58.200 -0.087 0.000 0.911 311 S CB -0.365 62.783 63.200 -0.086 0.000 0.780 311 S HN 0.395 nan 8.310 nan 0.000 0.514 312 N N 0.913 119.560 118.700 -0.088 0.000 2.446 312 N HA 0.304 5.047 4.740 0.005 0.000 0.265 312 N C -0.037 175.447 175.510 -0.043 0.000 0.975 312 N CA -0.411 52.588 53.050 -0.084 0.000 0.928 312 N CB 1.350 39.755 38.487 -0.136 0.000 1.160 312 N HN -0.178 nan 8.380 nan 0.000 0.495 313 D N 2.472 122.854 120.400 -0.031 0.000 2.116 313 D HA -0.197 4.447 4.640 0.005 0.000 0.193 313 D C 1.642 177.940 176.300 -0.003 0.000 0.998 313 D CA 1.551 55.545 54.000 -0.011 0.000 0.836 313 D CB -0.310 40.483 40.800 -0.013 0.000 0.951 313 D HN 0.672 nan 8.370 nan 0.000 0.449 314 A N 0.761 123.572 122.820 -0.015 0.000 1.858 314 A HA -0.122 4.201 4.320 0.005 0.000 0.216 314 A C 2.463 180.050 177.584 0.005 0.000 1.190 314 A CA 0.992 53.023 52.037 -0.009 0.000 0.617 314 A CB -0.844 18.146 19.000 -0.018 0.000 0.827 314 A HN 0.200 nan 8.150 nan 0.000 0.443 315 L N -1.273 119.948 121.223 -0.002 0.000 2.046 315 L HA -0.163 4.180 4.340 0.005 0.000 0.208 315 L C 2.825 179.750 176.870 0.092 0.000 1.077 315 L CA 1.639 56.494 54.840 0.025 0.000 0.747 315 L CB -0.487 41.562 42.059 -0.016 0.000 0.896 315 L HN 0.451 nan 8.230 nan 0.000 0.432 316 R N 0.226 120.779 120.500 0.088 0.000 2.105 316 R HA -0.192 4.152 4.340 0.005 0.000 0.239 316 R C 2.329 178.737 176.300 0.180 0.000 1.135 316 R CA 1.465 57.684 56.100 0.197 0.000 0.967 316 R CB -0.194 30.188 30.300 0.136 0.000 0.861 316 R HN 0.359 nan 8.270 nan 0.000 0.442 317 A N 0.911 123.772 122.820 0.068 0.000 1.877 317 A HA -0.142 4.181 4.320 0.005 0.000 0.216 317 A C 2.124 179.695 177.584 -0.022 0.000 1.186 317 A CA 1.355 53.395 52.037 0.005 0.000 0.620 317 A CB -0.460 18.536 19.000 -0.008 0.000 0.822 317 A HN 0.332 nan 8.150 nan 0.000 0.443 318 I N -2.247 118.332 120.570 0.014 0.000 2.179 318 I HA -0.271 3.902 4.170 0.005 0.000 0.242 318 I C 2.435 178.543 176.117 -0.015 0.000 1.088 318 I CA 1.736 63.035 61.300 -0.000 0.000 1.357 318 I CB -0.360 37.656 38.000 0.027 0.000 1.051 318 I HN 0.754 nan 8.210 nan 0.000 0.409 319 W N 2.072 123.293 121.300 -0.133 0.000 2.355 319 W HA -0.225 4.438 4.660 0.005 0.000 0.309 319 W C 2.402 178.759 176.519 -0.270 0.000 1.206 319 W CA 1.736 58.950 57.345 -0.219 0.000 1.284 319 W CB -0.364 28.941 29.460 -0.259 0.000 1.145 319 W HN 0.090 nan 8.180 nan 0.000 0.502 320 E N -0.213 119.593 120.200 -0.655 0.000 2.110 320 E HA -0.324 4.029 4.350 0.005 0.000 0.193 320 E C 2.103 178.321 176.600 -0.636 0.000 0.988 320 E CA 1.561 57.380 56.400 -0.969 0.000 0.804 320 E CB -0.182 29.182 29.700 -0.560 0.000 0.745 320 E HN 0.275 nan 8.360 nan 0.000 0.458 321 Q N 1.025 120.593 119.800 -0.387 0.000 2.079 321 Q HA -0.173 4.170 4.340 0.005 0.000 0.200 321 Q C 1.595 177.410 176.000 -0.308 0.000 0.974 321 Q CA 1.784 57.417 55.803 -0.284 0.000 0.840 321 Q CB 0.028 28.664 28.738 -0.170 0.000 0.898 321 Q HN 0.321 nan 8.270 nan 0.000 0.430 322 E N -0.448 119.557 120.200 -0.326 0.000 2.110 322 E HA -0.189 4.164 4.350 0.005 0.000 0.193 322 E C 1.834 178.185 176.600 -0.414 0.000 0.988 322 E CA 1.068 57.295 56.400 -0.288 0.000 0.804 322 E CB -0.195 29.387 29.700 -0.197 0.000 0.745 322 E HN 0.285 nan 8.360 nan 0.000 0.458 323 L N 0.980 121.814 121.223 -0.648 0.000 2.056 323 L HA -0.131 4.213 4.340 0.005 0.000 0.207 323 L C 2.211 178.727 176.870 -0.590 0.000 1.078 323 L CA 1.911 56.307 54.840 -0.738 0.000 0.749 323 L CB -0.765 40.657 42.059 -1.062 0.000 0.901 323 L HN -0.009 nan 8.230 nan 0.000 0.433 324 T N -0.213 114.049 114.554 -0.487 0.000 2.720 324 T HA -0.182 4.171 4.350 0.005 0.000 0.268 324 T C 1.481 176.039 174.700 -0.237 0.000 1.037 324 T CA 1.643 63.547 62.100 -0.327 0.000 1.144 324 T CB -0.385 68.324 68.868 -0.264 0.000 0.864 324 T HN 0.407 nan 8.240 nan 0.000 0.444 325 D N 0.890 121.155 120.400 -0.225 0.000 2.123 325 D HA -0.041 4.602 4.640 0.005 0.000 0.196 325 D C 2.129 178.353 176.300 -0.128 0.000 0.992 325 D CA 1.044 54.961 54.000 -0.140 0.000 0.833 325 D CB -0.329 40.401 40.800 -0.116 0.000 0.954 325 D HN 0.391 nan 8.370 nan 0.000 0.455 326 M N 0.008 119.443 119.600 -0.276 0.000 2.067 326 M HA -0.156 4.327 4.480 0.005 0.000 0.260 326 M C 2.396 178.668 176.300 -0.047 0.000 1.069 326 M CA 1.258 56.313 55.300 -0.407 0.000 1.117 326 M CB -0.269 31.880 32.600 -0.751 0.000 1.334 326 M HN -0.075 nan 8.290 nan 0.000 0.407 327 R N 0.537 120.989 120.500 -0.082 0.000 2.096 327 R HA -0.214 4.129 4.340 0.005 0.000 0.240 327 R C 2.071 178.403 176.300 0.053 0.000 1.139 327 R CA 1.992 58.123 56.100 0.051 0.000 0.952 327 R CB -0.190 30.067 30.300 -0.072 0.000 0.854 327 R HN 0.491 nan 8.270 nan 0.000 0.436 328 Q N -0.511 119.289 119.800 -0.001 0.000 2.119 328 Q HA -0.160 4.183 4.340 0.005 0.000 0.201 328 Q C 2.248 178.280 176.000 0.055 0.000 0.972 328 Q CA 1.348 57.161 55.803 0.016 0.000 0.847 328 Q CB -0.119 28.611 28.738 -0.014 0.000 0.903 328 Q HN 0.303 nan 8.270 nan 0.000 0.433 329 R N 0.692 121.249 120.500 0.094 0.000 2.092 329 R HA -0.111 4.232 4.340 0.005 0.000 0.231 329 R C 2.093 178.468 176.300 0.125 0.000 1.119 329 R CA 1.027 57.204 56.100 0.129 0.000 0.970 329 R CB -0.130 30.300 30.300 0.218 0.000 0.864 329 R HN 0.255 nan 8.270 nan 0.000 0.440 330 I N 0.780 121.452 120.570 0.170 0.000 2.226 330 I HA -0.305 3.868 4.170 0.005 0.000 0.245 330 I C 2.336 178.495 176.117 0.070 0.000 1.100 330 I CA 1.441 62.810 61.300 0.115 0.000 1.374 330 I CB -0.247 37.834 38.000 0.136 0.000 1.057 330 I HN 0.278 nan 8.210 nan 0.000 0.413 331 Q N 0.306 120.150 119.800 0.073 0.000 2.124 331 Q HA -0.169 4.174 4.340 0.005 0.000 0.202 331 Q C 2.379 178.408 176.000 0.049 0.000 0.977 331 Q CA 1.212 57.050 55.803 0.058 0.000 0.850 331 Q CB -0.135 28.634 28.738 0.051 0.000 0.901 331 Q HN 0.467 nan 8.270 nan 0.000 0.429 332 R N -0.131 120.397 120.500 0.046 0.000 2.081 332 R HA -0.074 4.269 4.340 0.005 0.000 0.235 332 R C 2.215 178.538 176.300 0.039 0.000 1.131 332 R CA 1.181 57.304 56.100 0.038 0.000 0.960 332 R CB -0.138 30.182 30.300 0.034 0.000 0.856 332 R HN 0.278 nan 8.270 nan 0.000 0.436 333 M N 0.070 119.691 119.600 0.034 0.000 2.175 333 M HA -0.121 4.363 4.480 0.005 0.000 0.264 333 M C 2.163 178.498 176.300 0.058 0.000 1.063 333 M CA 1.393 56.705 55.300 0.021 0.000 1.119 333 M CB -0.834 31.750 32.600 -0.027 0.000 1.377 333 M HN 0.105 nan 8.290 nan 0.000 0.415 334 R N 0.191 120.729 120.500 0.063 0.000 2.083 334 R HA -0.247 4.096 4.340 0.005 0.000 0.237 334 R C 2.303 178.670 176.300 0.111 0.000 1.137 334 R CA 2.095 58.260 56.100 0.107 0.000 0.951 334 R CB -0.168 30.180 30.300 0.080 0.000 0.851 334 R HN 0.264 nan 8.270 nan 0.000 0.434 335 Q N 0.369 120.210 119.800 0.068 0.000 2.079 335 Q HA -0.140 4.203 4.340 0.005 0.000 0.200 335 Q C 1.923 177.951 176.000 0.046 0.000 0.974 335 Q CA 1.461 57.291 55.803 0.044 0.000 0.840 335 Q CB -0.316 28.441 28.738 0.031 0.000 0.898 335 Q HN 0.363 nan 8.270 nan 0.000 0.430 336 L N -0.217 121.043 121.223 0.062 0.000 2.083 336 L HA -0.063 4.280 4.340 0.005 0.000 0.209 336 L C 1.972 178.903 176.870 0.103 0.000 1.083 336 L CA 1.563 56.439 54.840 0.061 0.000 0.752 336 L CB -0.827 41.262 42.059 0.050 0.000 0.899 336 L HN 0.353 nan 8.230 nan 0.000 0.433 337 F N -0.427 119.486 119.950 -0.062 0.000 2.069 337 F HA -0.216 4.314 4.527 0.004 0.000 0.298 337 F C 2.269 178.000 175.800 -0.116 0.000 1.113 337 F CA 2.048 59.990 58.000 -0.097 0.000 1.214 337 F CB -0.932 38.004 39.000 -0.107 0.000 0.978 337 F HN -0.060 nan 8.300 nan 0.000 0.474 338 V N 0.902 120.720 119.914 -0.160 0.000 2.343 338 V HA -0.326 3.797 4.120 0.005 0.000 0.247 338 V C 2.283 178.284 176.094 -0.154 0.000 1.051 338 V CA 2.116 64.256 62.300 -0.267 0.000 1.036 338 V CB -0.884 30.850 31.823 -0.148 0.000 0.654 338 V HN 0.326 nan 8.190 nan 0.000 0.451 339 N N 0.149 118.808 118.700 -0.070 0.000 2.120 339 N HA -0.138 4.606 4.740 0.005 0.000 0.188 339 N C 1.911 177.394 175.510 -0.045 0.000 1.024 339 N CA 2.022 55.049 53.050 -0.039 0.000 0.852 339 N CB -0.684 37.796 38.487 -0.011 0.000 1.003 339 N HN 0.460 nan 8.380 nan 0.000 0.424 340 T N 1.589 116.117 114.554 -0.044 0.000 2.857 340 T HA 0.076 4.429 4.350 0.005 0.000 0.266 340 T C 2.122 176.776 174.700 -0.077 0.000 1.048 340 T CA 0.387 62.467 62.100 -0.032 0.000 1.139 340 T CB -0.185 68.691 68.868 0.014 0.000 0.874 340 T HN 0.111 nan 8.240 nan 0.000 0.455 341 L N 1.041 122.159 121.223 -0.176 0.000 2.012 341 L HA -0.212 4.131 4.340 0.005 0.000 0.210 341 L C 2.897 179.712 176.870 -0.091 0.000 1.073 341 L CA 1.533 56.236 54.840 -0.228 0.000 0.748 341 L CB -0.562 41.189 42.059 -0.513 0.000 0.891 341 L HN 0.270 nan 8.230 nan 0.000 0.431 342 Q N 0.739 120.502 119.800 -0.061 0.000 2.061 342 Q HA -0.254 4.089 4.340 0.005 0.000 0.204 342 Q C 1.909 177.902 176.000 -0.012 0.000 0.984 342 Q CA 1.972 57.767 55.803 -0.013 0.000 0.846 342 Q CB -0.168 28.562 28.738 -0.012 0.000 0.902 342 Q HN 0.462 nan 8.270 nan 0.000 0.421 343 E N -0.615 119.572 120.200 -0.020 0.000 2.204 343 E HA -0.121 4.232 4.350 0.005 0.000 0.194 343 E C 1.487 178.081 176.600 -0.010 0.000 0.989 343 E CA 0.870 57.263 56.400 -0.011 0.000 0.824 343 E CB 0.091 29.785 29.700 -0.010 0.000 0.756 343 E HN 0.115 nan 8.360 nan 0.000 0.477 344 K N -0.753 119.636 120.400 -0.019 0.000 2.444 344 K HA 0.075 4.399 4.320 0.005 0.000 0.193 344 K C 0.524 177.118 176.600 -0.011 0.000 1.024 344 K CA 0.591 56.867 56.287 -0.018 0.000 1.077 344 K CB 0.851 33.331 32.500 -0.034 0.000 0.833 344 K HN 0.188 nan 8.250 nan 0.000 0.517 345 G N -0.314 108.484 108.800 -0.003 0.000 2.141 345 G HA2 -0.195 3.768 3.960 0.005 0.000 0.195 345 G HA3 -0.195 3.768 3.960 0.005 0.000 0.195 345 G C 0.051 174.966 174.900 0.025 0.000 1.012 345 G CA -0.174 44.932 45.100 0.010 0.000 0.696 345 G HN 0.436 nan 8.290 nan 0.000 0.508 346 A N 0.190 123.034 122.820 0.041 0.000 2.531 346 A HA 0.489 4.812 4.320 0.005 0.000 0.236 346 A C 1.241 178.882 177.584 0.095 0.000 1.062 346 A CA 0.859 52.959 52.037 0.105 0.000 0.760 346 A CB 0.179 19.306 19.000 0.213 0.000 0.995 346 A HN 1.359 nan 8.150 nan 0.000 0.501 347 N N 0.978 119.733 118.700 0.092 0.000 2.313 347 N HA 0.089 4.832 4.740 0.005 0.000 0.207 347 N C -0.012 175.490 175.510 -0.013 0.000 1.141 347 N CA 0.064 53.135 53.050 0.036 0.000 0.830 347 N CB 0.142 38.647 38.487 0.030 0.000 1.008 347 N HN 0.604 nan 8.380 nan 0.000 0.481 348 R N -0.680 119.790 120.500 -0.051 0.000 2.725 348 R HA 0.226 4.569 4.340 0.005 0.000 0.277 348 R C -1.549 174.584 176.300 -0.278 0.000 0.987 348 R CA -0.902 55.041 56.100 -0.261 0.000 0.901 348 R CB 1.225 31.154 30.300 -0.619 0.000 1.207 348 R HN 0.007 nan 8.270 nan 0.000 0.463 349 D N 1.514 121.781 120.400 -0.221 0.000 2.358 349 D HA 0.009 4.652 4.640 0.005 0.000 0.258 349 D C -0.344 175.809 176.300 -0.245 0.000 1.223 349 D CA 0.265 54.183 54.000 -0.138 0.000 0.886 349 D CB 0.435 41.206 40.800 -0.048 0.000 1.120 349 D HN 0.381 nan 8.370 nan 0.000 0.482 350 F N 2.031 121.917 119.950 -0.107 0.000 2.647 350 F HA 0.096 4.627 4.527 0.006 0.000 0.300 350 F C 2.342 177.832 175.800 -0.517 0.000 1.106 350 F CA -0.271 57.501 58.000 -0.380 0.000 1.313 350 F CB 0.090 38.816 39.000 -0.457 0.000 1.007 350 F HN 0.367 nan 8.300 nan 0.000 0.536 351 S N 0.837 116.470 115.700 -0.111 0.000 2.402 351 S HA -0.279 4.195 4.470 0.005 0.000 0.233 351 S C 2.283 176.827 174.600 -0.093 0.000 1.030 351 S CA 1.995 60.149 58.200 -0.076 0.000 1.003 351 S CB -0.621 62.580 63.200 0.002 0.000 0.813 351 S HN 0.519 nan 8.310 nan 0.000 0.477 352 F N 0.783 120.687 119.950 -0.077 0.000 2.307 352 F HA 0.063 4.593 4.527 0.006 0.000 0.301 352 F C 1.689 177.495 175.800 0.011 0.000 1.076 352 F CA 0.709 58.648 58.000 -0.102 0.000 1.383 352 F CB -0.653 38.062 39.000 -0.474 0.000 1.055 352 F HN 0.206 nan 8.300 nan 0.000 0.526 353 I N 0.765 120.984 120.570 -0.584 0.000 2.394 353 I HA -0.240 3.934 4.170 0.005 0.000 0.251 353 I C 2.293 178.401 176.117 -0.015 0.000 1.136 353 I CA 0.717 61.855 61.300 -0.270 0.000 1.425 353 I CB -0.507 37.288 38.000 -0.341 0.000 1.079 353 I HN 0.196 nan 8.210 nan 0.000 0.425 354 I N 1.085 121.642 120.570 -0.022 0.000 2.361 354 I HA -0.229 3.945 4.170 0.005 0.000 0.251 354 I C 2.275 178.440 176.117 0.080 0.000 1.133 354 I CA 1.418 62.739 61.300 0.036 0.000 1.413 354 I CB -1.087 36.926 38.000 0.022 0.000 1.073 354 I HN 0.271 nan 8.210 nan 0.000 0.424 355 K N 0.953 121.420 120.400 0.112 0.000 2.365 355 K HA -0.021 4.303 4.320 0.005 0.000 0.199 355 K C 0.757 177.457 176.600 0.167 0.000 1.045 355 K CA 0.278 56.650 56.287 0.142 0.000 0.962 355 K CB -0.178 32.426 32.500 0.174 0.000 0.759 355 K HN 0.531 nan 8.250 nan 0.000 0.469 356 Q N 1.210 121.120 119.800 0.184 0.000 2.293 356 Q HA 0.142 4.486 4.340 0.005 0.000 0.251 356 Q C -0.557 175.535 176.000 0.153 0.000 0.930 356 Q CA -0.099 55.826 55.803 0.203 0.000 0.893 356 Q CB 0.720 29.607 28.738 0.248 0.000 1.215 356 Q HN 0.158 nan 8.270 nan 0.000 0.425 357 N N 0.171 118.962 118.700 0.153 0.000 2.492 357 N HA 0.591 5.334 4.740 0.005 0.000 0.289 357 N C -0.009 175.537 175.510 0.061 0.000 1.133 357 N CA 0.216 53.340 53.050 0.124 0.000 0.961 357 N CB 1.353 39.935 38.487 0.159 0.000 1.186 357 N HN 0.761 nan 8.380 nan 0.000 0.493 358 G N 0.356 109.168 108.800 0.019 0.000 2.482 358 G HA2 -0.255 3.709 3.960 0.005 0.000 0.214 358 G HA3 -0.255 3.709 3.960 0.005 0.000 0.214 358 G C 0.314 175.056 174.900 -0.263 0.000 1.271 358 G CA -0.374 44.631 45.100 -0.159 0.000 0.944 358 G HN 0.468 nan 8.290 nan 0.000 0.568 359 M N -0.132 119.101 119.600 -0.612 0.000 2.514 359 M HA 0.333 4.816 4.480 0.005 0.000 0.258 359 M C 0.169 176.097 176.300 -0.620 0.000 1.119 359 M CA 0.864 55.736 55.300 -0.712 0.000 1.111 359 M CB 0.090 32.050 32.600 -1.067 0.000 1.390 359 M HN 0.242 nan 8.290 nan 0.000 0.475 360 F N -0.291 119.615 119.950 -0.072 0.000 2.541 360 F HA 0.423 4.953 4.527 0.005 0.000 0.331 360 F C 0.542 176.378 175.800 0.059 0.000 1.057 360 F CA -1.449 56.545 58.000 -0.011 0.000 0.975 360 F CB 1.193 40.198 39.000 0.008 0.000 1.246 360 F HN -0.193 nan 8.300 nan 0.000 0.484 361 S N 0.474 116.372 115.700 0.330 0.000 2.502 361 S HA 0.572 5.045 4.470 0.005 0.000 0.304 361 S C -1.243 173.605 174.600 0.413 0.000 1.097 361 S CA -0.540 57.862 58.200 0.336 0.000 1.045 361 S CB 1.100 64.487 63.200 0.310 0.000 1.019 361 S HN 0.444 nan 8.310 nan 0.000 0.481 362 F N 4.182 124.285 119.950 0.255 0.000 2.351 362 F HA 0.387 4.917 4.527 0.006 0.000 0.362 362 F C 1.352 177.390 175.800 0.397 0.000 1.131 362 F CA -1.214 56.913 58.000 0.212 0.000 1.187 362 F CB 0.558 39.597 39.000 0.064 0.000 1.434 362 F HN 0.799 nan 8.300 nan 0.000 0.553 363 S N 2.039 117.865 115.700 0.210 0.000 2.528 363 S HA 0.236 4.710 4.470 0.005 0.000 0.219 363 S C 1.706 176.564 174.600 0.431 0.000 0.985 363 S CA 0.362 58.803 58.200 0.401 0.000 0.914 363 S CB -0.146 63.218 63.200 0.274 0.000 0.776 363 S HN 1.257 nan 8.310 nan 0.000 0.526 364 G N 0.957 109.792 108.800 0.058 0.000 2.176 364 G HA2 -0.228 3.735 3.960 0.005 0.000 0.253 364 G HA3 -0.228 3.735 3.960 0.005 0.000 0.253 364 G C -0.036 174.886 174.900 0.035 0.000 0.979 364 G CA 0.133 45.245 45.100 0.020 0.000 0.641 364 G HN 0.525 nan 8.290 nan 0.000 0.530 365 L N 2.035 123.287 121.223 0.048 0.000 2.485 365 L HA 0.421 4.764 4.340 0.005 0.000 0.275 365 L C 1.705 178.576 176.870 0.001 0.000 1.207 365 L CA 0.435 55.304 54.840 0.047 0.000 0.855 365 L CB 0.482 42.573 42.059 0.053 0.000 1.114 365 L HN 0.428 nan 8.230 nan 0.000 0.485 366 T N -1.098 113.466 114.554 0.017 0.000 2.816 366 T HA 0.168 4.521 4.350 0.005 0.000 0.282 366 T C 1.029 175.736 174.700 0.012 0.000 0.993 366 T CA -0.613 61.493 62.100 0.010 0.000 0.994 366 T CB 0.987 69.865 68.868 0.016 0.000 1.025 366 T HN 0.760 nan 8.240 nan 0.000 0.529 367 K N 0.424 120.831 120.400 0.012 0.000 2.152 367 K HA -0.184 4.139 4.320 0.005 0.000 0.206 367 K C 1.584 178.191 176.600 0.011 0.000 1.048 367 K CA 1.670 57.964 56.287 0.012 0.000 0.933 367 K CB -0.255 32.252 32.500 0.012 0.000 0.721 367 K HN 0.619 nan 8.250 nan 0.000 0.447 368 E N 1.226 121.434 120.200 0.015 0.000 2.107 368 E HA -0.095 4.259 4.350 0.005 0.000 0.191 368 E C 2.144 178.759 176.600 0.025 0.000 0.982 368 E CA 1.135 57.545 56.400 0.017 0.000 0.809 368 E CB -0.002 29.708 29.700 0.018 0.000 0.756 368 E HN 0.407 nan 8.360 nan 0.000 0.459 369 Q N 0.049 119.867 119.800 0.030 0.000 2.084 369 Q HA -0.136 4.207 4.340 0.005 0.000 0.202 369 Q C 2.401 178.422 176.000 0.035 0.000 0.978 369 Q CA 1.598 57.425 55.803 0.040 0.000 0.844 369 Q CB -0.191 28.572 28.738 0.042 0.000 0.898 369 Q HN 0.338 nan 8.270 nan 0.000 0.426 370 V N -0.125 119.802 119.914 0.022 0.000 2.427 370 V HA -0.189 3.934 4.120 0.005 0.000 0.248 370 V C 1.948 178.035 176.094 -0.011 0.000 1.051 370 V CA 1.378 63.683 62.300 0.010 0.000 1.048 370 V CB -0.322 31.507 31.823 0.010 0.000 0.666 370 V HN 0.329 nan 8.190 nan 0.000 0.456 371 L N 0.922 122.140 121.223 -0.008 0.000 2.046 371 L HA -0.054 4.289 4.340 0.005 0.000 0.208 371 L C 2.734 179.595 176.870 -0.014 0.000 1.077 371 L CA 2.571 57.397 54.840 -0.024 0.000 0.747 371 L CB -0.989 41.062 42.059 -0.013 0.000 0.896 371 L HN 0.416 nan 8.230 nan 0.000 0.432 372 R N -0.831 119.685 120.500 0.027 0.000 2.075 372 R HA -0.134 4.209 4.340 0.005 0.000 0.232 372 R C 2.328 178.716 176.300 0.147 0.000 1.126 372 R CA 1.555 57.697 56.100 0.070 0.000 0.963 372 R CB -0.330 30.032 30.300 0.103 0.000 0.858 372 R HN 0.415 nan 8.270 nan 0.000 0.435 373 L N 0.444 121.750 121.223 0.139 0.000 2.013 373 L HA -0.235 4.108 4.340 0.005 0.000 0.212 373 L C 2.964 179.893 176.870 0.098 0.000 1.073 373 L CA 1.745 56.694 54.840 0.182 0.000 0.753 373 L CB -0.480 41.613 42.059 0.056 0.000 0.890 373 L HN 0.289 nan 8.230 nan 0.000 0.432 374 R N 0.105 120.548 120.500 -0.094 0.000 2.066 374 R HA -0.191 4.153 4.340 0.005 0.000 0.232 374 R C 2.157 178.340 176.300 -0.195 0.000 1.131 374 R CA 1.676 57.568 56.100 -0.346 0.000 0.955 374 R CB -0.034 29.938 30.300 -0.547 0.000 0.851 374 R HN 0.249 nan 8.270 nan 0.000 0.432 375 E N 0.302 120.436 120.200 -0.111 0.000 2.031 375 E HA -0.203 4.150 4.350 0.005 0.000 0.193 375 E C 1.804 178.339 176.600 -0.109 0.000 0.994 375 E CA 1.829 58.177 56.400 -0.087 0.000 0.800 375 E CB 0.045 29.706 29.700 -0.064 0.000 0.752 375 E HN 0.416 nan 8.360 nan 0.000 0.447 376 E N -1.651 118.460 120.200 -0.150 0.000 2.190 376 E HA -0.053 4.300 4.350 0.005 0.000 0.191 376 E C 0.841 177.108 176.600 -0.554 0.000 0.978 376 E CA 0.572 56.723 56.400 -0.416 0.000 0.839 376 E CB 0.163 29.472 29.700 -0.651 0.000 0.787 376 E HN 0.247 nan 8.360 nan 0.000 0.473 377 F N -1.034 118.910 119.950 -0.011 0.000 2.728 377 F HA 0.368 4.897 4.527 0.002 0.000 0.314 377 F C 1.277 177.102 175.800 0.042 0.000 1.094 377 F CA 0.275 58.283 58.000 0.013 0.000 1.217 377 F CB 1.368 40.377 39.000 0.015 0.000 1.056 377 F HN 0.101 nan 8.300 nan 0.000 0.577 378 G N 1.578 110.478 108.800 0.166 0.000 2.225 378 G HA2 -0.258 3.705 3.960 0.005 0.000 0.267 378 G HA3 -0.258 3.705 3.960 0.005 0.000 0.267 378 G C -0.191 174.933 174.900 0.373 0.000 1.024 378 G CA 0.283 45.525 45.100 0.238 0.000 0.784 378 G HN 0.178 nan 8.290 nan 0.000 0.507 379 V N 0.656 120.713 119.914 0.238 0.000 2.350 379 V HA 0.500 4.624 4.120 0.005 0.000 0.276 379 V C -0.237 175.946 176.094 0.149 0.000 1.028 379 V CA -0.898 61.547 62.300 0.241 0.000 0.860 379 V CB 0.906 32.809 31.823 0.133 0.000 0.990 379 V HN 0.234 nan 8.190 nan 0.000 0.453 380 Y N 3.639 124.003 120.300 0.108 0.000 2.369 380 Y HA 0.726 5.278 4.550 0.004 0.000 0.337 380 Y C 0.483 176.392 175.900 0.015 0.000 0.961 380 Y CA -0.314 57.833 58.100 0.078 0.000 1.186 380 Y CB 1.547 40.072 38.460 0.108 0.000 1.139 380 Y HN 0.737 nan 8.280 nan 0.000 0.494 381 A N 2.290 125.172 122.820 0.104 0.000 2.437 381 A HA 0.848 5.171 4.320 0.005 0.000 0.292 381 A C -1.068 176.550 177.584 0.056 0.000 1.173 381 A CA -0.823 51.256 52.037 0.070 0.000 0.785 381 A CB 0.806 19.835 19.000 0.049 0.000 1.351 381 A HN 0.397 nan 8.150 nan 0.000 0.431 382 V N 0.927 120.865 119.914 0.039 0.000 2.775 382 V HA 0.361 4.484 4.120 0.005 0.000 0.299 382 V C 1.759 177.869 176.094 0.027 0.000 1.062 382 V CA 0.536 62.849 62.300 0.021 0.000 1.063 382 V CB 1.067 32.882 31.823 -0.014 0.000 0.994 382 V HN 1.234 nan 8.190 nan 0.000 0.483 383 A N 3.102 125.932 122.820 0.018 0.000 2.076 383 A HA -0.143 4.180 4.320 0.005 0.000 0.220 383 A C 2.241 179.845 177.584 0.034 0.000 1.160 383 A CA 1.961 54.009 52.037 0.018 0.000 0.653 383 A CB -0.627 18.378 19.000 0.009 0.000 0.801 383 A HN 1.114 nan 8.150 nan 0.000 0.455 384 S N -1.828 113.909 115.700 0.062 0.000 2.547 384 S HA 0.288 4.761 4.470 0.005 0.000 0.235 384 S C 1.505 176.148 174.600 0.072 0.000 0.980 384 S CA 1.177 59.452 58.200 0.125 0.000 0.941 384 S CB -0.534 62.807 63.200 0.234 0.000 0.763 384 S HN 1.959 nan 8.310 nan 0.000 0.532 385 G N 1.060 109.880 108.800 0.033 0.000 2.157 385 G HA2 -0.281 3.683 3.960 0.005 0.000 0.239 385 G HA3 -0.281 3.683 3.960 0.005 0.000 0.239 385 G C 0.066 174.997 174.900 0.051 0.000 0.982 385 G CA 0.014 45.104 45.100 -0.017 0.000 0.650 385 G HN 0.700 nan 8.290 nan 0.000 0.527 386 R N 0.464 121.050 120.500 0.143 0.000 2.347 386 R HA 0.506 4.849 4.340 0.005 0.000 0.304 386 R C 0.400 176.765 176.300 0.107 0.000 1.072 386 R CA 0.338 56.543 56.100 0.175 0.000 0.980 386 R CB 0.799 31.112 30.300 0.023 0.000 0.986 386 R HN 0.719 nan 8.270 nan 0.000 0.448 387 V N 1.893 121.907 119.914 0.167 0.000 2.604 387 V HA 0.348 4.471 4.120 0.005 0.000 0.305 387 V C -0.393 175.832 176.094 0.219 0.000 1.043 387 V CA -1.007 61.368 62.300 0.124 0.000 0.888 387 V CB 1.793 33.628 31.823 0.020 0.000 0.995 387 V HN 0.890 nan 8.190 nan 0.000 0.429 388 N N 3.221 122.025 118.700 0.174 0.000 2.448 388 N HA 0.185 4.928 4.740 0.005 0.000 0.250 388 N C 0.833 176.279 175.510 -0.107 0.000 1.136 388 N CA -0.335 52.789 53.050 0.122 0.000 0.953 388 N CB 1.423 39.962 38.487 0.086 0.000 1.251 388 N HN 0.693 nan 8.380 nan 0.000 0.502 389 V N 3.530 123.358 119.914 -0.143 0.000 2.594 389 V HA -0.208 3.916 4.120 0.005 0.000 0.253 389 V C 2.293 178.276 176.094 -0.185 0.000 1.069 389 V CA 1.971 64.142 62.300 -0.215 0.000 1.082 389 V CB -0.679 31.061 31.823 -0.138 0.000 0.680 389 V HN 0.790 nan 8.190 nan 0.000 0.469 390 A N 0.411 123.119 122.820 -0.186 0.000 2.172 390 A HA 0.068 4.391 4.320 0.005 0.000 0.216 390 A C 2.137 179.571 177.584 -0.249 0.000 1.154 390 A CA 1.338 53.275 52.037 -0.167 0.000 0.701 390 A CB -0.569 18.368 19.000 -0.104 0.000 0.789 390 A HN 0.553 nan 8.150 nan 0.000 0.465 391 G N -1.246 107.425 108.800 -0.215 0.000 3.088 391 G HA2 0.361 4.325 3.960 0.005 0.000 0.217 391 G HA3 0.361 4.325 3.960 0.005 0.000 0.217 391 G C 0.492 175.276 174.900 -0.192 0.000 1.159 391 G CA -0.359 44.613 45.100 -0.212 0.000 0.760 391 G HN 0.437 nan 8.290 nan 0.000 0.550 392 M N 1.656 121.137 119.600 -0.198 0.000 2.274 392 M HA 0.441 4.925 4.480 0.005 0.000 0.344 392 M C 0.286 176.508 176.300 -0.130 0.000 1.161 392 M CA -0.155 55.042 55.300 -0.172 0.000 1.126 392 M CB 1.729 34.196 32.600 -0.222 0.000 1.522 392 M HN 0.100 nan 8.290 nan 0.000 0.461 393 T N -1.469 113.030 114.554 -0.091 0.000 2.883 393 T HA 0.486 4.840 4.350 0.005 0.000 0.296 393 T C -2.533 172.147 174.700 -0.034 0.000 1.117 393 T CA -1.784 60.278 62.100 -0.063 0.000 1.006 393 T CB 1.682 70.515 68.868 -0.059 0.000 1.191 393 T HN 0.276 nan 8.240 nan 0.000 0.508 394 P HA -0.048 nan 4.420 nan 0.000 0.218 394 P C 0.807 178.105 177.300 -0.003 0.000 1.146 394 P CA 1.029 64.126 63.100 -0.005 0.000 0.813 394 P CB 0.057 31.756 31.700 -0.001 0.000 0.778 395 D N -1.308 119.088 120.400 -0.007 0.000 2.213 395 D HA -0.068 4.575 4.640 0.005 0.000 0.205 395 D C 1.358 177.659 176.300 0.002 0.000 0.961 395 D CA 0.970 54.970 54.000 -0.000 0.000 0.853 395 D CB -0.470 40.330 40.800 -0.000 0.000 0.967 395 D HN 0.324 nan 8.370 nan 0.000 0.496 396 N N -0.063 118.633 118.700 -0.006 0.000 2.280 396 N HA -0.023 4.720 4.740 0.005 0.000 0.192 396 N C 1.453 176.960 175.510 -0.004 0.000 1.109 396 N CA 0.088 53.137 53.050 -0.001 0.000 0.855 396 N CB -0.154 38.329 38.487 -0.006 0.000 0.974 396 N HN -0.044 nan 8.380 nan 0.000 0.482 397 M N 1.032 120.630 119.600 -0.004 0.000 2.086 397 M HA 0.159 4.642 4.480 0.005 0.000 0.261 397 M C 1.937 178.253 176.300 0.026 0.000 1.067 397 M CA 1.443 56.750 55.300 0.011 0.000 1.116 397 M CB -0.661 31.953 32.600 0.024 0.000 1.348 397 M HN 0.265 nan 8.290 nan 0.000 0.407 398 A N 0.798 123.630 122.820 0.019 0.000 1.865 398 A HA -0.103 4.221 4.320 0.005 0.000 0.217 398 A C -0.260 177.332 177.584 0.013 0.000 1.191 398 A CA 1.881 53.928 52.037 0.016 0.000 0.623 398 A CB -2.406 16.603 19.000 0.015 0.000 0.826 398 A HN 0.478 nan 8.150 nan 0.000 0.444 399 P HA -0.159 nan 4.420 nan 0.000 0.215 399 P C 1.673 178.977 177.300 0.006 0.000 1.153 399 P CA 1.651 64.767 63.100 0.027 0.000 0.853 399 P CB -0.371 31.357 31.700 0.048 0.000 0.788 400 L N -1.894 119.334 121.223 0.007 0.000 2.093 400 L HA -0.008 4.335 4.340 0.005 0.000 0.208 400 L C 2.322 179.183 176.870 -0.015 0.000 1.085 400 L CA 1.803 56.640 54.840 -0.006 0.000 0.755 400 L CB -2.036 40.014 42.059 -0.015 0.000 0.904 400 L HN -0.128 nan 8.230 nan 0.000 0.435 401 C N 0.221 119.531 119.300 0.016 0.000 2.457 401 C HA -0.025 4.438 4.460 0.005 0.000 0.278 401 C C 2.644 177.587 174.990 -0.078 0.000 1.309 401 C CA 0.736 59.752 59.018 -0.003 0.000 1.735 401 C CB -0.859 26.888 27.740 0.012 0.000 1.992 401 C HN 0.641 nan 8.230 nan 0.000 0.493 402 E N 1.216 121.372 120.200 -0.073 0.000 2.085 402 E HA -0.186 4.167 4.350 0.005 0.000 0.194 402 E C 2.345 178.799 176.600 -0.243 0.000 0.994 402 E CA 1.465 57.805 56.400 -0.100 0.000 0.801 402 E CB -0.223 29.453 29.700 -0.041 0.000 0.743 402 E HN 0.669 nan 8.360 nan 0.000 0.453 403 A N 0.935 123.543 122.820 -0.353 0.000 1.877 403 A HA -0.184 4.139 4.320 0.005 0.000 0.216 403 A C 2.176 179.396 177.584 -0.607 0.000 1.186 403 A CA 1.178 52.719 52.037 -0.826 0.000 0.620 403 A CB -0.568 18.082 19.000 -0.584 0.000 0.822 403 A HN 0.153 nan 8.150 nan 0.000 0.443 404 I N -0.397 119.999 120.570 -0.290 0.000 2.202 404 I HA -0.145 4.028 4.170 0.005 0.000 0.242 404 I C 1.230 177.261 176.117 -0.144 0.000 1.091 404 I CA 0.325 61.520 61.300 -0.175 0.000 1.368 404 I CB -0.392 37.542 38.000 -0.108 0.000 1.058 404 I HN 0.083 nan 8.210 nan 0.000 0.410 408 V N -0.476 119.411 119.914 -0.044 0.000 3.650 408 V HA 0.451 4.574 4.120 0.005 0.000 0.271 408 V C 0.975 177.094 176.094 0.042 0.000 1.281 408 V CA 0.135 62.455 62.300 0.034 0.000 1.120 408 V CB -0.738 31.108 31.823 0.039 0.000 0.856 408 V HN 0.355 nan 8.190 nan 0.000 0.443 409 L N 0.000 121.246 121.223 0.038 0.000 2.949 409 L HA 0.000 4.343 4.340 0.005 0.000 0.249 409 L CA 0.000 54.878 54.840 0.064 0.000 0.813 409 L CB 0.000 42.115 42.059 0.093 0.000 0.961 409 L HN 0.000 nan 8.230 nan 0.000 0.502