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 1tvk_1_B DATA FIRST_RESID 2 DATA SEQUENCE REIVHIQAGQ CGNQIGAKFW EVISDEHGID PTGSYHGDSD LQLERINVYY DATA SEQUENCE NEAAGNKYVP RAILVDLEPG TMDSVRSGPF GQIFRPDNFV FGQSGAGNNW DATA SEQUENCE AKGHYTEGAE LVDSVLDVVR KESESCDCLQ GFQLTHSLGG GTGSGMGTLL DATA SEQUENCE ISKIREEYPD RIMNTFSVVP SPKVSDTVVE PYNATLSVHQ LVENTDETYC DATA SEQUENCE IDNEALYDIC FRTLKLTTPT YGDLNHLVSA TMSGVTTCLR FPGQLNADLR DATA SEQUENCE KLAVNMVPFP RLHFFMPGFA PLTSRGSQQY RALTVPELTQ QMFDAKNMMA DATA SEQUENCE ACDPRHGRYL TVAAVFRGRM SMKEVDEQML NVQNKNSSYF VEWIPNNVKT DATA SEQUENCE AVCDIPPRGL KMSATFIGNS TAIQELFKRI SEQFTAMFRR KAFLHWYTGE DATA SEQUENCE GMDEMEFTEA ESNMNDLVSE YQQYQD 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 2 R HA 0.000 nan 4.340 nan 0.000 0.208 2 R C 0.000 176.225 176.300 -0.125 0.000 0.893 2 R CA 0.000 56.048 56.100 -0.087 0.000 0.921 2 R CB 0.000 30.248 30.300 -0.086 0.000 0.687 3 E N 2.831 122.944 120.200 -0.145 0.000 2.266 3 E HA 0.629 4.638 4.350 -0.569 0.000 0.268 3 E C -0.628 175.818 176.600 -0.257 0.000 0.879 3 E CA -1.042 55.246 56.400 -0.186 0.000 0.762 3 E CB 1.928 31.550 29.700 -0.129 0.000 1.199 3 E HN 0.409 nan 8.360 nan 0.000 0.422 4 I N 2.193 122.567 120.570 -0.327 0.000 2.648 4 I HA 0.455 4.283 4.170 -0.569 0.000 0.304 4 I C -0.621 175.394 176.117 -0.170 0.000 1.009 4 I CA -1.267 59.825 61.300 -0.347 0.000 1.114 4 I CB 1.853 39.555 38.000 -0.497 0.000 1.293 4 I HN 0.521 nan 8.210 nan 0.000 0.449 5 V N 3.604 123.468 119.914 -0.084 0.000 2.483 5 V HA 0.333 4.112 4.120 -0.569 0.000 0.297 5 V C -0.044 176.254 176.094 0.339 0.000 1.027 5 V CA -0.766 61.635 62.300 0.167 0.000 0.855 5 V CB 1.667 33.566 31.823 0.127 0.000 0.995 5 V HN 0.701 nan 8.190 nan 0.000 0.424 6 H N 5.576 124.855 119.070 0.348 0.000 2.511 6 H HA 0.551 4.766 4.556 -0.569 0.000 0.346 6 H C -0.564 174.885 175.328 0.202 0.000 1.128 6 H CA -0.361 55.846 56.048 0.265 0.000 1.342 6 H CB 1.740 31.705 29.762 0.338 0.000 1.470 6 H HN 0.694 nan 8.280 nan 0.000 0.546 7 I N 4.604 124.981 120.570 -0.322 0.000 2.913 7 I HA 0.008 3.837 4.170 -0.569 0.000 0.334 7 I C 0.107 176.039 176.117 -0.308 0.000 1.449 7 I CA -0.479 60.706 61.300 -0.193 0.000 0.867 7 I CB 0.451 38.371 38.000 -0.133 0.000 1.918 7 I HN 0.518 nan 8.210 nan 0.000 0.556 8 Q N 1.716 121.265 119.800 -0.419 0.000 3.163 8 Q HA 0.081 4.080 4.340 -0.569 0.000 0.351 8 Q C 0.058 175.999 176.000 -0.098 0.000 1.102 8 Q CA 0.236 55.949 55.803 -0.150 0.000 1.201 8 Q CB -0.095 28.752 28.738 0.181 0.000 0.958 8 Q HN 0.547 nan 8.270 nan 0.000 0.419 9 A N 3.564 126.334 122.820 -0.083 0.000 2.249 9 A HA 0.733 4.711 4.320 -0.569 0.000 0.314 9 A C 0.689 178.274 177.584 0.001 0.000 1.290 9 A CA 0.263 52.270 52.037 -0.049 0.000 0.893 9 A CB 0.688 19.642 19.000 -0.077 0.000 1.165 9 A HN 1.357 nan 8.150 nan 0.000 0.530 10 G N 1.237 110.030 108.800 -0.012 0.000 2.712 10 G HA2 -0.137 3.482 3.960 -0.569 0.000 0.683 10 G HA3 -0.137 3.482 3.960 -0.569 0.000 0.683 10 G C 0.540 175.427 174.900 -0.022 0.000 1.320 10 G CA 0.350 45.447 45.100 -0.004 0.000 0.847 10 G HN 1.125 nan 8.290 nan 0.000 0.553 11 Q N -0.719 119.064 119.800 -0.029 0.000 1.956 11 Q HA -0.239 3.760 4.340 -0.569 0.000 0.208 11 Q C 2.934 178.897 176.000 -0.062 0.000 0.998 11 Q CA 3.931 59.705 55.803 -0.049 0.000 0.855 11 Q CB -0.650 28.056 28.738 -0.054 0.000 0.928 11 Q HN 1.455 nan 8.270 nan 0.000 0.418 12 C N 0.166 119.423 119.300 -0.072 0.000 2.318 12 C HA -0.234 3.885 4.460 -0.569 0.000 0.272 12 C C 2.761 177.719 174.990 -0.053 0.000 1.156 12 C CA 2.126 61.089 59.018 -0.091 0.000 1.783 12 C CB -1.793 25.902 27.740 -0.074 0.000 2.023 12 C HN 0.811 nan 8.230 nan 0.000 0.437 13 G N -0.675 108.117 108.800 -0.012 0.000 2.450 13 G HA2 -0.237 3.382 3.960 -0.569 0.000 0.220 13 G HA3 -0.237 3.382 3.960 -0.569 0.000 0.220 13 G C 1.491 176.396 174.900 0.009 0.000 1.130 13 G CA 1.101 46.206 45.100 0.008 0.000 0.760 13 G HN 0.849 nan 8.290 nan 0.000 0.557 14 N N -0.540 118.146 118.700 -0.022 0.000 2.457 14 N HA 0.001 4.399 4.740 -0.569 0.000 0.180 14 N C 2.257 177.753 175.510 -0.024 0.000 1.050 14 N CA 0.229 53.254 53.050 -0.042 0.000 0.906 14 N CB 0.070 38.507 38.487 -0.083 0.000 0.968 14 N HN 0.414 nan 8.380 nan 0.000 0.445 15 Q N 0.403 120.184 119.800 -0.032 0.000 2.200 15 Q HA 0.084 4.083 4.340 -0.569 0.000 0.197 15 Q C 1.996 177.989 176.000 -0.011 0.000 0.953 15 Q CA 0.501 56.283 55.803 -0.035 0.000 0.851 15 Q CB 0.277 28.954 28.738 -0.102 0.000 0.938 15 Q HN 0.362 nan 8.270 nan 0.000 0.488 16 I N 0.870 121.429 120.570 -0.019 0.000 2.179 16 I HA -0.221 3.608 4.170 -0.569 0.000 0.242 16 I C 2.304 178.439 176.117 0.030 0.000 1.088 16 I CA 1.373 62.671 61.300 -0.005 0.000 1.357 16 I CB -0.626 37.362 38.000 -0.020 0.000 1.051 16 I HN 0.296 nan 8.210 nan 0.000 0.409 17 G N 0.508 109.352 108.800 0.074 0.000 2.459 17 G HA2 -0.282 3.337 3.960 -0.569 0.000 0.217 17 G HA3 -0.282 3.337 3.960 -0.569 0.000 0.217 17 G C 1.843 176.834 174.900 0.152 0.000 1.183 17 G CA 0.842 46.028 45.100 0.144 0.000 0.776 17 G HN 0.498 nan 8.290 nan 0.000 0.552 18 A N 0.215 123.113 122.820 0.130 0.000 2.042 18 A HA -0.112 3.866 4.320 -0.569 0.000 0.222 18 A C 2.264 179.883 177.584 0.059 0.000 1.167 18 A CA 2.422 54.545 52.037 0.143 0.000 0.649 18 A CB -0.265 18.796 19.000 0.100 0.000 0.809 18 A HN 0.362 nan 8.150 nan 0.000 0.457 19 K N -2.096 118.312 120.400 0.013 0.000 2.334 19 K HA 0.260 4.238 4.320 -0.569 0.000 0.195 19 K C 1.327 177.843 176.600 -0.139 0.000 1.045 19 K CA 0.486 56.729 56.287 -0.074 0.000 1.004 19 K CB -0.246 32.235 32.500 -0.032 0.000 0.837 19 K HN 0.553 nan 8.250 nan 0.000 0.510 20 F N -0.927 118.867 119.950 -0.260 0.000 2.098 20 F HA -0.086 4.115 4.527 -0.545 0.000 0.294 20 F C 1.221 176.747 175.800 -0.457 0.000 1.107 20 F CA 1.238 58.985 58.000 -0.422 0.000 1.234 20 F CB -0.111 38.536 39.000 -0.589 0.000 1.002 20 F HN 0.032 nan 8.300 nan 0.000 0.472 21 W N 1.145 122.181 121.300 -0.441 0.000 2.848 21 W HA -0.070 4.259 4.660 -0.551 0.000 0.241 21 W C 1.825 177.934 176.519 -0.685 0.000 1.289 21 W CA 0.636 57.652 57.345 -0.548 0.000 1.396 21 W CB -0.186 29.165 29.460 -0.183 0.000 1.138 21 W HN 0.208 nan 8.180 nan 0.000 0.677 22 E N -0.222 119.685 120.200 -0.487 0.000 2.465 22 E HA 0.017 4.026 4.350 -0.569 0.000 0.195 22 E C 1.049 177.342 176.600 -0.511 0.000 1.028 22 E CA 0.196 56.147 56.400 -0.749 0.000 0.899 22 E CB 0.342 29.754 29.700 -0.479 0.000 1.032 22 E HN 0.130 nan 8.360 nan 0.000 0.468 23 V N -0.249 119.385 119.914 -0.466 0.000 3.141 23 V HA 0.023 3.802 4.120 -0.569 0.000 0.225 23 V C 1.491 177.403 176.094 -0.304 0.000 1.352 23 V CA -0.068 62.024 62.300 -0.346 0.000 1.316 23 V CB 0.188 31.812 31.823 -0.332 0.000 1.126 23 V HN 0.163 nan 8.190 nan 0.000 0.493 24 I N 1.803 122.059 120.570 -0.522 0.000 3.001 24 I HA -0.094 3.735 4.170 -0.569 0.000 0.268 24 I C 2.413 178.560 176.117 0.049 0.000 1.267 24 I CA 1.554 62.626 61.300 -0.379 0.000 1.472 24 I CB -0.148 37.253 38.000 -0.999 0.000 1.089 24 I HN 0.477 nan 8.210 nan 0.000 0.468 25 S N -0.722 114.971 115.700 -0.012 0.000 2.315 25 S HA -0.159 3.970 4.470 -0.569 0.000 0.211 25 S C 2.043 176.728 174.600 0.142 0.000 1.029 25 S CA 0.795 59.081 58.200 0.143 0.000 0.956 25 S CB -0.932 62.237 63.200 -0.051 0.000 0.918 25 S HN 0.497 nan 8.310 nan 0.000 0.470 26 D N 1.629 122.066 120.400 0.061 0.000 2.133 26 D HA -0.264 4.035 4.640 -0.569 0.000 0.192 26 D C 1.785 178.139 176.300 0.090 0.000 1.001 26 D CA 1.701 55.760 54.000 0.097 0.000 0.844 26 D CB -0.534 40.298 40.800 0.053 0.000 0.944 26 D HN 0.646 nan 8.370 nan 0.000 0.447 27 E N -1.264 118.962 120.200 0.043 0.000 2.396 27 E HA -0.186 3.823 4.350 -0.569 0.000 0.200 27 E C 0.952 177.535 176.600 -0.028 0.000 1.023 27 E CA 0.659 57.062 56.400 0.004 0.000 0.857 27 E CB 0.049 29.726 29.700 -0.037 0.000 0.775 27 E HN 0.468 nan 8.360 nan 0.000 0.525 28 H N -1.629 117.537 119.070 0.160 0.000 2.785 28 H HA 0.170 4.384 4.556 -0.571 0.000 0.268 28 H C 0.487 175.958 175.328 0.239 0.000 1.153 28 H CA 0.604 56.769 56.048 0.194 0.000 1.111 28 H CB 1.124 30.944 29.762 0.097 0.000 1.633 28 H HN 0.191 nan 8.280 nan 0.000 0.576 29 G N 2.146 111.104 108.800 0.263 0.000 2.370 29 G HA2 -0.254 3.364 3.960 -0.569 0.000 0.293 29 G HA3 -0.254 3.364 3.960 -0.569 0.000 0.293 29 G C -0.006 174.999 174.900 0.175 0.000 0.992 29 G CA 0.231 45.451 45.100 0.200 0.000 1.247 29 G HN 0.412 nan 8.290 nan 0.000 0.505 30 I N 1.801 122.446 120.570 0.125 0.000 2.537 30 I HA 0.146 3.975 4.170 -0.569 0.000 0.276 30 I C 0.197 176.328 176.117 0.023 0.000 1.063 30 I CA -1.009 60.311 61.300 0.033 0.000 1.144 30 I CB 0.647 38.634 38.000 -0.022 0.000 1.252 30 I HN 0.242 nan 8.210 nan 0.000 0.480 31 D N 6.498 126.783 120.400 -0.191 0.000 2.383 31 D HA -0.050 4.248 4.640 -0.569 0.000 0.233 31 D C -1.565 174.589 176.300 -0.244 0.000 1.233 31 D CA -0.874 52.975 54.000 -0.251 0.000 0.881 31 D CB 0.192 40.763 40.800 -0.382 0.000 1.212 31 D HN 0.193 nan 8.370 nan 0.000 0.467 32 P HA -0.216 nan 4.420 nan 0.000 0.224 32 P C 0.891 178.068 177.300 -0.205 0.000 1.153 32 P CA 2.340 65.149 63.100 -0.486 0.000 0.947 32 P CB 0.148 31.588 31.700 -0.434 0.000 0.790 33 T N -4.619 109.835 114.554 -0.167 0.000 3.131 33 T HA 0.247 4.256 4.350 -0.569 0.000 0.283 33 T C 1.191 175.829 174.700 -0.104 0.000 0.906 33 T CA 0.201 62.231 62.100 -0.117 0.000 0.882 33 T CB -0.047 68.767 68.868 -0.091 0.000 1.208 33 T HN 0.128 nan 8.240 nan 0.000 0.561 34 G N 2.791 111.515 108.800 -0.127 0.000 2.474 34 G HA2 0.284 3.903 3.960 -0.569 0.000 0.157 34 G HA3 0.284 3.903 3.960 -0.569 0.000 0.157 34 G C 0.517 175.375 174.900 -0.070 0.000 1.720 34 G CA 1.168 46.215 45.100 -0.088 0.000 0.931 34 G HN 0.798 nan 8.290 nan 0.000 0.376 35 S N -3.727 111.928 115.700 -0.075 0.000 2.724 35 S HA 0.294 4.423 4.470 -0.569 0.000 0.278 35 S C -0.571 174.159 174.600 0.217 0.000 1.190 35 S CA -0.481 57.752 58.200 0.055 0.000 0.860 35 S CB 0.585 63.844 63.200 0.097 0.000 1.206 35 S HN 0.765 nan 8.310 nan 0.000 0.507 36 Y N 2.886 123.285 120.300 0.165 0.000 3.040 36 Y HA 0.183 4.392 4.550 -0.568 0.000 0.356 36 Y C 0.548 176.620 175.900 0.286 0.000 1.096 36 Y CA -0.340 57.882 58.100 0.203 0.000 2.058 36 Y CB -1.680 36.899 38.460 0.198 0.000 2.215 36 Y HN 0.625 nan 8.280 nan 0.000 0.404 37 H N 0.991 120.037 119.070 -0.039 0.000 2.787 37 H HA 0.197 4.412 4.556 -0.568 0.000 0.302 37 H C 1.296 176.493 175.328 -0.218 0.000 1.098 37 H CA -0.160 55.802 56.048 -0.144 0.000 1.192 37 H CB -0.855 28.872 29.762 -0.057 0.000 1.316 37 H HN 0.583 nan 8.280 nan 0.000 0.590 38 G N 0.361 108.927 108.800 -0.388 0.000 2.272 38 G HA2 -0.091 3.528 3.960 -0.569 0.000 0.247 38 G HA3 -0.091 3.528 3.960 -0.569 0.000 0.247 38 G C 0.356 175.137 174.900 -0.199 0.000 1.272 38 G CA -0.273 44.657 45.100 -0.284 0.000 0.921 38 G HN 0.303 nan 8.290 nan 0.000 0.495 39 D N 0.601 120.987 120.400 -0.022 0.000 2.123 39 D HA -0.058 4.241 4.640 -0.569 0.000 0.196 39 D C 1.909 178.202 176.300 -0.013 0.000 0.992 39 D CA 1.581 55.570 54.000 -0.017 0.000 0.833 39 D CB 0.171 40.980 40.800 0.014 0.000 0.954 39 D HN 0.424 nan 8.370 nan 0.000 0.455 40 S N -0.510 115.219 115.700 0.047 0.000 2.707 40 S HA 0.139 4.268 4.470 -0.569 0.000 0.276 40 S C -0.110 174.595 174.600 0.175 0.000 1.179 40 S CA -0.771 57.482 58.200 0.089 0.000 0.992 40 S CB 0.833 64.091 63.200 0.096 0.000 1.030 40 S HN -0.017 nan 8.310 nan 0.000 0.554 41 D N 1.532 122.048 120.400 0.193 0.000 2.440 41 D HA 0.153 4.452 4.640 -0.569 0.000 0.216 41 D C 0.724 177.200 176.300 0.294 0.000 1.150 41 D CA -0.104 54.062 54.000 0.276 0.000 0.832 41 D CB 0.444 41.332 40.800 0.146 0.000 0.992 41 D HN 0.288 nan 8.370 nan 0.000 0.502 42 L N 0.386 121.766 121.223 0.260 0.000 2.537 42 L HA 0.171 4.170 4.340 -0.569 0.000 0.224 42 L C 1.340 178.395 176.870 0.308 0.000 1.065 42 L CA 0.942 55.906 54.840 0.207 0.000 0.860 42 L CB -0.077 42.032 42.059 0.083 0.000 1.086 42 L HN -0.189 nan 8.230 nan 0.000 0.482 43 Q N 0.009 120.034 119.800 0.376 0.000 2.541 43 Q HA -0.005 3.994 4.340 -0.569 0.000 0.216 43 Q C -0.397 175.716 176.000 0.188 0.000 0.968 43 Q CA 0.349 56.449 55.803 0.496 0.000 0.989 43 Q CB -0.166 28.895 28.738 0.539 0.000 0.991 43 Q HN 0.233 nan 8.270 nan 0.000 0.549 44 L N -0.534 120.632 121.223 -0.096 0.000 2.399 44 L HA 0.154 4.153 4.340 -0.569 0.000 0.266 44 L C -0.258 176.505 176.870 -0.178 0.000 1.516 44 L CA 0.399 54.968 54.840 -0.451 0.000 0.715 44 L CB 0.774 42.010 42.059 -1.371 0.000 0.933 44 L HN -0.029 nan 8.230 nan 0.000 0.524 45 E N -0.632 119.537 120.200 -0.052 0.000 2.640 45 E HA 0.193 4.202 4.350 -0.569 0.000 0.197 45 E C 0.889 177.473 176.600 -0.027 0.000 0.925 45 E CA -0.059 56.334 56.400 -0.011 0.000 1.604 45 E CB 0.921 30.654 29.700 0.056 0.000 1.769 45 E HN 0.156 nan 8.360 nan 0.000 0.965 46 R N 1.178 121.664 120.500 -0.024 0.000 2.472 46 R HA 0.227 4.226 4.340 -0.569 0.000 0.279 46 R C 1.768 177.994 176.300 -0.124 0.000 0.953 46 R CA 0.048 56.107 56.100 -0.067 0.000 1.088 46 R CB -0.163 30.091 30.300 -0.077 0.000 1.197 46 R HN 0.173 nan 8.270 nan 0.000 0.536 47 I N -2.371 118.089 120.570 -0.184 0.000 2.700 47 I HA -0.166 3.662 4.170 -0.569 0.000 0.261 47 I C 0.394 176.442 176.117 -0.115 0.000 1.219 47 I CA 1.292 62.449 61.300 -0.238 0.000 1.463 47 I CB -0.377 37.332 38.000 -0.485 0.000 1.092 47 I HN 0.047 nan 8.210 nan 0.000 0.452 48 N N 1.152 119.772 118.700 -0.133 0.000 2.617 48 N HA -0.013 4.386 4.740 -0.569 0.000 0.198 48 N C 1.176 176.615 175.510 -0.118 0.000 1.317 48 N CA 0.164 53.153 53.050 -0.102 0.000 0.892 48 N CB 0.197 38.635 38.487 -0.082 0.000 1.041 48 N HN 0.340 nan 8.380 nan 0.000 0.450 49 V N -1.173 118.650 119.914 -0.152 0.000 3.085 49 V HA -0.014 3.765 4.120 -0.569 0.000 0.245 49 V C 0.913 176.764 176.094 -0.405 0.000 1.114 49 V CA 0.932 63.054 62.300 -0.296 0.000 1.108 49 V CB -0.178 31.431 31.823 -0.357 0.000 0.798 49 V HN 0.331 nan 8.190 nan 0.000 0.471 50 Y N -2.876 117.393 120.300 -0.051 0.000 2.512 50 Y HA 0.335 4.538 4.550 -0.579 0.000 0.268 50 Y C 0.836 176.549 175.900 -0.311 0.000 1.102 50 Y CA -0.554 57.505 58.100 -0.069 0.000 1.261 50 Y CB 0.851 39.277 38.460 -0.057 0.000 1.250 50 Y HN 0.149 nan 8.280 nan 0.000 0.506 51 Y N 0.051 120.386 120.300 0.058 0.000 2.596 51 Y HA 0.379 4.590 4.550 -0.565 0.000 0.326 51 Y C 0.085 175.922 175.900 -0.105 0.000 1.167 51 Y CA -1.078 56.962 58.100 -0.101 0.000 1.246 51 Y CB 0.696 38.950 38.460 -0.344 0.000 1.347 51 Y HN -0.198 nan 8.280 nan 0.000 0.515 52 N N 0.075 118.849 118.700 0.123 0.000 2.321 52 N HA 0.259 4.658 4.740 -0.569 0.000 0.290 52 N C -1.798 173.850 175.510 0.231 0.000 1.212 52 N CA -0.726 52.391 53.050 0.112 0.000 0.767 52 N CB 1.809 40.356 38.487 0.101 0.000 1.494 52 N HN 0.648 nan 8.380 nan 0.000 0.479 53 E N 1.159 121.478 120.200 0.199 0.000 2.167 53 E HA 0.462 4.470 4.350 -0.569 0.000 0.247 53 E C -0.145 176.542 176.600 0.144 0.000 0.961 53 E CA -0.476 56.082 56.400 0.263 0.000 0.797 53 E CB 1.020 30.859 29.700 0.233 0.000 1.182 53 E HN 0.584 nan 8.360 nan 0.000 0.437 54 A N 2.023 124.914 122.820 0.117 0.000 2.666 54 A HA 0.421 4.400 4.320 -0.569 0.000 0.221 54 A C 1.625 179.222 177.584 0.023 0.000 2.097 54 A CA 0.425 52.498 52.037 0.061 0.000 0.835 54 A CB -0.501 18.533 19.000 0.057 0.000 1.409 54 A HN 0.493 nan 8.150 nan 0.000 0.531 55 A N -0.150 122.669 122.820 -0.002 0.000 2.190 55 A HA 0.421 4.400 4.320 -0.569 0.000 0.226 55 A C 1.766 179.308 177.584 -0.069 0.000 1.402 55 A CA 1.292 53.311 52.037 -0.030 0.000 1.288 55 A CB -1.946 17.032 19.000 -0.036 0.000 0.833 55 A HN 2.073 nan 8.150 nan 0.000 0.564 56 G N 1.431 110.197 108.800 -0.057 0.000 3.133 56 G HA2 -0.571 3.048 3.960 -0.569 0.000 0.357 56 G HA3 -0.571 3.048 3.960 -0.569 0.000 0.357 56 G C 1.370 176.110 174.900 -0.266 0.000 1.229 56 G CA 1.330 46.374 45.100 -0.094 0.000 1.018 56 G HN 0.828 nan 8.290 nan 0.000 0.635 57 N N 1.349 119.921 118.700 -0.213 0.000 2.247 57 N HA -0.081 4.318 4.740 -0.569 0.000 0.189 57 N C 0.826 176.108 175.510 -0.381 0.000 1.009 57 N CA 1.980 54.873 53.050 -0.262 0.000 0.872 57 N CB -0.120 38.290 38.487 -0.127 0.000 0.980 57 N HN 0.645 nan 8.380 nan 0.000 0.436 58 K N 0.239 120.463 120.400 -0.292 0.000 2.234 58 K HA 0.173 4.152 4.320 -0.569 0.000 0.277 58 K C -0.934 175.541 176.600 -0.209 0.000 1.038 58 K CA -0.388 55.763 56.287 -0.227 0.000 0.888 58 K CB 1.073 33.512 32.500 -0.101 0.000 1.091 58 K HN 0.156 nan 8.250 nan 0.000 0.467 59 Y N 0.444 120.722 120.300 -0.037 0.000 2.519 59 Y HA 0.419 4.629 4.550 -0.567 0.000 0.324 59 Y C 0.333 176.234 175.900 0.002 0.000 1.214 59 Y CA -1.328 56.764 58.100 -0.014 0.000 1.260 59 Y CB 1.696 40.111 38.460 -0.075 0.000 1.311 59 Y HN 0.182 nan 8.280 nan 0.000 0.505 60 V N 0.150 120.210 119.914 0.243 0.000 2.445 60 V HA 0.299 4.078 4.120 -0.569 0.000 0.283 60 V C -2.846 173.249 176.094 0.003 0.000 1.014 60 V CA -2.591 59.760 62.300 0.085 0.000 0.852 60 V CB 0.842 32.716 31.823 0.084 0.000 1.021 60 V HN 0.516 nan 8.190 nan 0.000 0.435 61 P HA -0.057 nan 4.420 nan 0.000 0.253 61 P C 0.149 177.232 177.300 -0.363 0.000 1.170 61 P CA 0.280 62.918 63.100 -0.770 0.000 0.806 61 P CB 0.376 31.112 31.700 -1.607 0.000 0.775 62 R N 3.225 123.649 120.500 -0.126 0.000 3.097 62 R HA 0.313 4.312 4.340 -0.569 0.000 0.212 62 R C -0.489 175.968 176.300 0.262 0.000 1.651 62 R CA 0.081 56.237 56.100 0.094 0.000 1.134 62 R CB -0.833 29.533 30.300 0.110 0.000 1.241 62 R HN 0.532 nan 8.270 nan 0.000 0.640 63 A N 3.749 126.716 122.820 0.245 0.000 2.604 63 A HA 0.542 4.521 4.320 -0.569 0.000 0.295 63 A C -1.380 176.334 177.584 0.218 0.000 1.067 63 A CA -0.874 51.392 52.037 0.381 0.000 0.683 63 A CB 1.062 20.523 19.000 0.768 0.000 1.281 63 A HN 0.439 nan 8.150 nan 0.000 0.407 64 I N 0.423 121.089 120.570 0.159 0.000 2.750 64 I HA 0.667 4.496 4.170 -0.569 0.000 0.308 64 I C -0.597 175.489 176.117 -0.053 0.000 1.016 64 I CA -0.606 60.714 61.300 0.034 0.000 1.098 64 I CB 1.795 39.812 38.000 0.029 0.000 1.279 64 I HN 0.547 nan 8.210 nan 0.000 0.454 65 L N 3.963 125.081 121.223 -0.174 0.000 2.409 65 L HA 0.826 4.825 4.340 -0.569 0.000 0.272 65 L C -0.864 175.947 176.870 -0.099 0.000 0.980 65 L CA -0.886 53.824 54.840 -0.217 0.000 0.826 65 L CB 1.419 43.178 42.059 -0.500 0.000 1.268 65 L HN 0.246 nan 8.230 nan 0.000 0.407 66 V N 0.143 120.026 119.914 -0.051 0.000 3.019 66 V HA 0.777 4.556 4.120 -0.569 0.000 0.317 66 V C -0.824 175.292 176.094 0.037 0.000 1.094 66 V CA -0.329 61.978 62.300 0.010 0.000 1.000 66 V CB 2.241 34.047 31.823 -0.027 0.000 1.060 66 V HN 0.879 nan 8.190 nan 0.000 0.443 67 D N -0.496 119.959 120.400 0.092 0.000 2.893 67 D HA 0.503 4.801 4.640 -0.569 0.000 0.346 67 D C -1.182 175.187 176.300 0.116 0.000 1.402 67 D CA -0.485 53.565 54.000 0.083 0.000 0.815 67 D CB 0.930 41.774 40.800 0.072 0.000 1.403 67 D HN 0.458 nan 8.370 nan 0.000 0.484 68 L N 0.866 122.141 121.223 0.088 0.000 3.447 68 L HA 0.330 4.329 4.340 -0.569 0.000 0.353 68 L C -0.878 176.029 176.870 0.061 0.000 1.338 68 L CA -0.183 54.710 54.840 0.089 0.000 0.899 68 L CB 0.757 42.842 42.059 0.043 0.000 1.332 68 L HN 0.366 nan 8.230 nan 0.000 0.608 69 E N 1.416 121.641 120.200 0.042 0.000 2.656 69 E HA 0.116 4.125 4.350 -0.569 0.000 0.395 69 E C -2.396 174.168 176.600 -0.059 0.000 1.028 69 E CA -0.813 55.586 56.400 -0.001 0.000 0.728 69 E CB 1.512 31.208 29.700 -0.008 0.000 1.577 69 E HN -0.101 nan 8.360 nan 0.000 0.384 70 P HA -0.223 nan 4.420 nan 0.000 0.219 70 P C 1.349 178.547 177.300 -0.171 0.000 1.151 70 P CA 1.980 64.914 63.100 -0.277 0.000 0.850 70 P CB -0.205 31.325 31.700 -0.283 0.000 0.784 71 G N -1.437 107.306 108.800 -0.095 0.000 2.689 71 G HA2 -0.264 3.355 3.960 -0.569 0.000 0.216 71 G HA3 -0.264 3.355 3.960 -0.569 0.000 0.216 71 G C 1.441 176.310 174.900 -0.053 0.000 1.119 71 G CA 1.548 46.612 45.100 -0.061 0.000 0.732 71 G HN 0.385 nan 8.290 nan 0.000 0.576 72 T N -1.376 113.137 114.554 -0.068 0.000 3.058 72 T HA 0.188 4.197 4.350 -0.569 0.000 0.247 72 T C 2.373 177.044 174.700 -0.049 0.000 0.987 72 T CA 0.294 62.364 62.100 -0.050 0.000 1.062 72 T CB -0.039 68.799 68.868 -0.049 0.000 1.048 72 T HN 0.144 nan 8.240 nan 0.000 0.468 73 M N 1.252 120.804 119.600 -0.080 0.000 2.117 73 M HA -0.070 4.069 4.480 -0.569 0.000 0.262 73 M C 1.696 178.010 176.300 0.024 0.000 1.065 73 M CA 1.770 57.043 55.300 -0.044 0.000 1.114 73 M CB -0.214 32.343 32.600 -0.073 0.000 1.361 73 M HN 0.126 nan 8.290 nan 0.000 0.408 74 D N -0.086 120.290 120.400 -0.041 0.000 2.182 74 D HA -0.113 4.186 4.640 -0.569 0.000 0.201 74 D C 2.054 178.369 176.300 0.024 0.000 0.986 74 D CA 1.392 55.386 54.000 -0.011 0.000 0.847 74 D CB -0.226 40.541 40.800 -0.056 0.000 0.942 74 D HN 0.266 nan 8.370 nan 0.000 0.467 75 S N -0.097 115.610 115.700 0.011 0.000 2.359 75 S HA -0.149 3.980 4.470 -0.569 0.000 0.224 75 S C 2.312 176.948 174.600 0.060 0.000 1.035 75 S CA 1.063 59.279 58.200 0.027 0.000 1.018 75 S CB -0.520 62.688 63.200 0.014 0.000 0.876 75 S HN 0.113 nan 8.310 nan 0.000 0.448 76 V N 4.243 124.197 119.914 0.067 0.000 2.214 76 V HA -0.272 3.507 4.120 -0.569 0.000 0.244 76 V C 2.693 178.895 176.094 0.181 0.000 1.045 76 V CA 2.233 64.599 62.300 0.109 0.000 0.993 76 V CB -1.026 30.827 31.823 0.050 0.000 0.633 76 V HN 0.546 nan 8.190 nan 0.000 0.449 77 R N 2.127 122.769 120.500 0.237 0.000 2.091 77 R HA -0.149 3.850 4.340 -0.569 0.000 0.238 77 R C 2.115 178.498 176.300 0.138 0.000 1.136 77 R CA 1.958 58.212 56.100 0.257 0.000 0.959 77 R CB -1.145 29.313 30.300 0.263 0.000 0.856 77 R HN 0.614 nan 8.270 nan 0.000 0.437 78 S N 0.123 115.878 115.700 0.090 0.000 2.754 78 S HA 0.173 4.302 4.470 -0.569 0.000 0.223 78 S C 0.700 175.336 174.600 0.060 0.000 0.951 78 S CA -0.224 58.008 58.200 0.054 0.000 0.954 78 S CB 0.295 63.512 63.200 0.029 0.000 0.780 78 S HN 0.529 nan 8.310 nan 0.000 0.509 79 G N 1.657 110.510 108.800 0.089 0.000 3.119 79 G HA2 0.628 4.246 3.960 -0.569 0.000 0.206 79 G HA3 0.628 4.246 3.960 -0.569 0.000 0.206 79 G C -2.174 172.783 174.900 0.096 0.000 1.313 79 G CA -1.461 43.691 45.100 0.087 0.000 1.010 79 G HN 0.271 nan 8.290 nan 0.000 0.578 80 P HA -0.029 nan 4.420 nan 0.000 0.248 80 P C 1.118 178.493 177.300 0.125 0.000 1.331 80 P CA 0.181 63.335 63.100 0.089 0.000 0.699 80 P CB -0.019 31.759 31.700 0.130 0.000 1.196 81 F N 0.325 120.320 119.950 0.075 0.000 2.178 81 F HA -0.283 3.906 4.527 -0.563 0.000 0.299 81 F C 2.546 178.445 175.800 0.164 0.000 1.045 81 F CA 2.124 60.173 58.000 0.081 0.000 1.307 81 F CB -1.558 37.503 39.000 0.102 0.000 1.060 81 F HN 0.274 nan 8.300 nan 0.000 0.506 82 G N -0.838 108.211 108.800 0.416 0.000 2.873 82 G HA2 -0.349 3.269 3.960 -0.569 0.000 0.233 82 G HA3 -0.349 3.269 3.960 -0.569 0.000 0.233 82 G C 0.706 175.914 174.900 0.514 0.000 1.124 82 G CA 1.089 46.469 45.100 0.466 0.000 0.747 82 G HN 0.416 nan 8.290 nan 0.000 0.644 83 Q N -0.395 119.557 119.800 0.254 0.000 2.337 83 Q HA 0.641 4.640 4.340 -0.569 0.000 0.255 83 Q C 0.383 176.400 176.000 0.027 0.000 0.997 83 Q CA 0.122 56.023 55.803 0.163 0.000 0.925 83 Q CB 1.282 30.059 28.738 0.064 0.000 1.212 83 Q HN 0.569 nan 8.270 nan 0.000 0.436 84 I N 0.098 120.652 120.570 -0.026 0.000 4.286 84 I HA -0.014 3.815 4.170 -0.569 0.000 0.392 84 I C -1.341 174.588 176.117 -0.312 0.000 0.701 84 I CA -0.014 61.132 61.300 -0.257 0.000 1.361 84 I CB 0.478 38.214 38.000 -0.439 0.000 3.324 84 I HN 0.335 nan 8.210 nan 0.000 0.963 85 F N 4.361 124.386 119.950 0.124 0.000 2.410 85 F HA 0.575 4.760 4.527 -0.570 0.000 0.349 85 F C 1.046 176.989 175.800 0.238 0.000 1.117 85 F CA -0.746 57.346 58.000 0.153 0.000 1.104 85 F CB 0.305 39.422 39.000 0.195 0.000 1.122 85 F HN -0.153 nan 8.300 nan 0.000 0.483 86 R N 4.198 124.870 120.500 0.287 0.000 2.802 86 R HA -0.042 3.957 4.340 -0.569 0.000 0.264 86 R C -1.349 175.073 176.300 0.203 0.000 0.996 86 R CA -0.938 55.274 56.100 0.186 0.000 1.123 86 R CB -0.089 30.293 30.300 0.137 0.000 0.996 86 R HN 0.351 nan 8.270 nan 0.000 0.444 87 P HA -0.198 nan 4.420 nan 0.000 0.210 87 P C 0.515 177.851 177.300 0.060 0.000 1.189 87 P CA 1.554 64.575 63.100 -0.132 0.000 0.920 87 P CB -0.163 31.479 31.700 -0.097 0.000 0.782 88 D N 0.196 120.651 120.400 0.092 0.000 2.220 88 D HA -0.241 4.058 4.640 -0.569 0.000 0.198 88 D C 1.251 177.686 176.300 0.225 0.000 1.001 88 D CA 1.152 55.225 54.000 0.122 0.000 0.875 88 D CB -2.180 38.668 40.800 0.080 0.000 0.921 88 D HN 0.381 nan 8.370 nan 0.000 0.454 89 N N -0.692 118.204 118.700 0.325 0.000 2.651 89 N HA -0.068 4.331 4.740 -0.569 0.000 0.193 89 N C -0.497 175.246 175.510 0.389 0.000 1.149 89 N CA 0.027 53.287 53.050 0.351 0.000 0.933 89 N CB -0.136 38.588 38.487 0.395 0.000 0.974 89 N HN 0.095 nan 8.380 nan 0.000 0.448 90 F N 0.383 120.383 119.950 0.083 0.000 2.480 90 F HA 0.444 4.633 4.527 -0.563 0.000 0.329 90 F C 0.291 176.129 175.800 0.063 0.000 1.091 90 F CA -1.482 56.593 58.000 0.124 0.000 0.972 90 F CB 1.304 40.443 39.000 0.230 0.000 1.150 90 F HN -0.327 nan 8.300 nan 0.000 0.467 91 V N 1.581 121.619 119.914 0.207 0.000 2.808 91 V HA 0.904 4.682 4.120 -0.569 0.000 0.308 91 V C -1.086 175.052 176.094 0.074 0.000 1.099 91 V CA -1.096 61.193 62.300 -0.019 0.000 0.920 91 V CB 1.612 33.419 31.823 -0.027 0.000 1.014 91 V HN 0.816 nan 8.190 nan 0.000 0.425 92 F N 0.888 120.858 119.950 0.033 0.000 3.031 92 F HA 0.979 5.163 4.527 -0.571 0.000 0.326 92 F C -0.279 175.530 175.800 0.015 0.000 1.143 92 F CA -0.424 57.587 58.000 0.018 0.000 0.871 92 F CB 0.759 39.780 39.000 0.036 0.000 1.377 92 F HN 1.044 nan 8.300 nan 0.000 0.462 93 G N -0.266 108.747 108.800 0.354 0.000 2.660 93 G HA2 0.496 4.114 3.960 -0.569 0.000 0.294 93 G HA3 0.496 4.114 3.960 -0.569 0.000 0.294 93 G C -1.309 173.755 174.900 0.273 0.000 1.369 93 G CA -0.757 44.472 45.100 0.215 0.000 0.912 93 G HN 0.720 nan 8.290 nan 0.000 0.479 94 Q N 0.124 120.038 119.800 0.191 0.000 2.280 94 Q HA 0.148 4.147 4.340 -0.569 0.000 0.202 94 Q C 0.702 176.752 176.000 0.082 0.000 0.903 94 Q CA -0.004 55.881 55.803 0.137 0.000 0.948 94 Q CB 0.343 29.153 28.738 0.119 0.000 1.058 94 Q HN 0.453 nan 8.270 nan 0.000 0.493 95 S N -0.188 115.558 115.700 0.077 0.000 2.614 95 S HA 0.247 4.375 4.470 -0.569 0.000 0.265 95 S C 0.624 175.248 174.600 0.040 0.000 1.303 95 S CA -0.528 57.703 58.200 0.051 0.000 1.000 95 S CB 0.974 64.200 63.200 0.043 0.000 0.935 95 S HN 0.419 nan 8.310 nan 0.000 0.551 96 G N 0.593 109.413 108.800 0.032 0.000 2.661 96 G HA2 0.361 3.980 3.960 -0.569 0.000 0.292 96 G HA3 0.361 3.980 3.960 -0.569 0.000 0.292 96 G C 1.044 175.949 174.900 0.010 0.000 0.781 96 G CA 0.017 45.128 45.100 0.019 0.000 1.860 96 G HN 0.839 nan 8.290 nan 0.000 0.512 97 A N 2.641 125.465 122.820 0.007 0.000 1.896 97 A HA 0.239 4.218 4.320 -0.569 0.000 0.220 97 A C 2.241 179.815 177.584 -0.016 0.000 1.206 97 A CA 2.148 54.186 52.037 0.001 0.000 0.647 97 A CB -1.019 17.981 19.000 0.000 0.000 0.828 97 A HN 2.343 nan 8.150 nan 0.000 0.455 98 G N -1.353 107.426 108.800 -0.035 0.000 2.641 98 G HA2 -0.293 3.326 3.960 -0.569 0.000 0.254 98 G HA3 -0.293 3.326 3.960 -0.569 0.000 0.254 98 G C 0.016 174.886 174.900 -0.049 0.000 1.315 98 G CA 0.334 45.394 45.100 -0.068 0.000 0.907 98 G HN 0.855 nan 8.290 nan 0.000 0.572 99 N N -0.079 118.585 118.700 -0.060 0.000 2.387 99 N HA 0.179 4.578 4.740 -0.569 0.000 0.259 99 N C -0.438 175.078 175.510 0.010 0.000 1.369 99 N CA -0.290 52.757 53.050 -0.005 0.000 0.867 99 N CB 0.422 38.906 38.487 -0.005 0.000 1.341 99 N HN 0.446 nan 8.380 nan 0.000 0.495 100 N N 0.254 118.916 118.700 -0.062 0.000 2.426 100 N HA 0.093 4.491 4.740 -0.569 0.000 0.257 100 N C 0.235 175.759 175.510 0.023 0.000 1.002 100 N CA -0.508 52.421 53.050 -0.202 0.000 0.942 100 N CB 0.674 39.031 38.487 -0.216 0.000 1.112 100 N HN 0.271 nan 8.380 nan 0.000 0.499 101 W N 4.305 125.616 121.300 0.019 0.000 2.358 101 W HA -0.069 4.243 4.660 -0.579 0.000 0.303 101 W C 1.785 178.392 176.519 0.148 0.000 1.208 101 W CA 1.593 59.032 57.345 0.156 0.000 1.274 101 W CB -0.146 29.486 29.460 0.287 0.000 1.138 101 W HN 0.679 nan 8.180 nan 0.000 0.515 102 A N 0.175 123.337 122.820 0.570 0.000 2.076 102 A HA -0.200 3.779 4.320 -0.569 0.000 0.220 102 A C 1.933 179.681 177.584 0.274 0.000 1.160 102 A CA 1.761 54.136 52.037 0.562 0.000 0.653 102 A CB -0.571 18.869 19.000 0.735 0.000 0.801 102 A HN 0.384 nan 8.150 nan 0.000 0.455 103 K N -1.393 119.071 120.400 0.105 0.000 2.262 103 K HA 0.013 3.992 4.320 -0.569 0.000 0.200 103 K C 1.901 178.487 176.600 -0.022 0.000 1.049 103 K CA 0.731 57.053 56.287 0.058 0.000 0.979 103 K CB -0.032 32.486 32.500 0.031 0.000 0.773 103 K HN 0.456 nan 8.250 nan 0.000 0.474 104 G N -0.657 108.076 108.800 -0.113 0.000 2.683 104 G HA2 -0.161 3.458 3.960 -0.569 0.000 0.213 104 G HA3 -0.161 3.458 3.960 -0.569 0.000 0.213 104 G C 1.005 175.733 174.900 -0.287 0.000 1.142 104 G CA 0.280 45.275 45.100 -0.176 0.000 0.793 104 G HN 0.281 nan 8.290 nan 0.000 0.534 105 H N -1.961 116.768 119.070 -0.568 0.000 2.674 105 H HA 0.366 4.580 4.556 -0.570 0.000 0.274 105 H C -0.198 174.798 175.328 -0.555 0.000 1.121 105 H CA -0.138 55.456 56.048 -0.757 0.000 1.132 105 H CB 0.766 29.601 29.762 -1.545 0.000 1.606 105 H HN 0.260 nan 8.280 nan 0.000 0.558 106 Y N -1.095 119.155 120.300 -0.083 0.000 2.151 106 Y HA 0.029 4.241 4.550 -0.564 0.000 0.074 106 Y C 2.355 178.247 175.900 -0.013 0.000 1.074 106 Y CA 0.479 58.575 58.100 -0.006 0.000 1.727 106 Y CB -0.219 38.306 38.460 0.109 0.000 1.084 106 Y HN -0.127 nan 8.280 nan 0.000 0.187 107 T N 0.604 115.295 114.554 0.229 0.000 2.755 107 T HA -0.234 3.775 4.350 -0.569 0.000 0.266 107 T C 1.042 175.782 174.700 0.067 0.000 1.041 107 T CA 2.584 64.752 62.100 0.113 0.000 1.147 107 T CB -0.093 68.838 68.868 0.106 0.000 0.847 107 T HN 0.311 nan 8.240 nan 0.000 0.478 108 E N -1.119 119.112 120.200 0.051 0.000 2.564 108 E HA 0.299 4.308 4.350 -0.569 0.000 0.203 108 E C 2.288 178.877 176.600 -0.018 0.000 0.867 108 E CA 0.472 56.882 56.400 0.017 0.000 1.250 108 E CB -0.688 29.025 29.700 0.021 0.000 1.215 108 E HN 0.278 nan 8.360 nan 0.000 0.566 109 G N 1.342 110.114 108.800 -0.048 0.000 2.469 109 G HA2 -0.305 3.314 3.960 -0.569 0.000 0.220 109 G HA3 -0.305 3.314 3.960 -0.569 0.000 0.220 109 G C 1.519 176.346 174.900 -0.121 0.000 1.136 109 G CA 1.394 46.432 45.100 -0.103 0.000 0.759 109 G HN 0.367 nan 8.290 nan 0.000 0.562 110 A N 1.920 124.673 122.820 -0.111 0.000 1.827 110 A HA -0.057 3.922 4.320 -0.569 0.000 0.215 110 A C 1.770 179.311 177.584 -0.071 0.000 1.212 110 A CA 1.581 53.555 52.037 -0.106 0.000 0.624 110 A CB -0.913 18.057 19.000 -0.049 0.000 0.853 110 A HN 0.602 nan 8.150 nan 0.000 0.450 111 E N 0.179 120.355 120.200 -0.040 0.000 3.465 111 E HA 0.023 4.032 4.350 -0.569 0.000 0.282 111 E C 0.235 176.808 176.600 -0.045 0.000 1.119 111 E CA 0.458 56.838 56.400 -0.033 0.000 1.177 111 E CB -0.342 29.349 29.700 -0.016 0.000 1.022 111 E HN 0.462 nan 8.360 nan 0.000 0.446 112 L N 1.077 122.264 121.223 -0.060 0.000 5.177 112 L HA -0.062 3.937 4.340 -0.569 0.000 0.538 112 L C 1.126 177.951 176.870 -0.075 0.000 0.719 112 L CA 0.304 55.103 54.840 -0.069 0.000 2.285 112 L CB -0.092 41.929 42.059 -0.063 0.000 2.204 112 L HN 0.276 nan 8.230 nan 0.000 0.575 113 V N 0.306 120.171 119.914 -0.081 0.000 2.407 113 V HA -0.087 3.692 4.120 -0.569 0.000 0.245 113 V C 1.792 177.846 176.094 -0.067 0.000 1.041 113 V CA 1.882 64.129 62.300 -0.088 0.000 1.040 113 V CB -0.272 31.481 31.823 -0.116 0.000 0.671 113 V HN 0.280 nan 8.190 nan 0.000 0.455 114 D N 0.299 120.665 120.400 -0.057 0.000 2.384 114 D HA -0.074 4.225 4.640 -0.569 0.000 0.222 114 D C 2.005 178.285 176.300 -0.034 0.000 0.976 114 D CA 1.140 55.116 54.000 -0.040 0.000 0.915 114 D CB 0.174 40.954 40.800 -0.034 0.000 0.896 114 D HN 0.423 nan 8.370 nan 0.000 0.523 115 S N -0.939 114.735 115.700 -0.043 0.000 2.520 115 S HA 0.065 4.194 4.470 -0.569 0.000 0.219 115 S C 1.992 176.571 174.600 -0.036 0.000 1.028 115 S CA -0.288 57.888 58.200 -0.040 0.000 0.921 115 S CB 1.067 64.233 63.200 -0.057 0.000 0.844 115 S HN 0.047 nan 8.310 nan 0.000 0.495 116 V N 1.779 121.666 119.914 -0.045 0.000 2.725 116 V HA 0.108 3.887 4.120 -0.569 0.000 0.247 116 V C 1.929 178.002 176.094 -0.035 0.000 1.058 116 V CA 1.062 63.337 62.300 -0.043 0.000 1.080 116 V CB -0.366 31.420 31.823 -0.062 0.000 0.713 116 V HN 0.362 nan 8.190 nan 0.000 0.465 117 L N -0.035 121.166 121.223 -0.036 0.000 2.072 117 L HA -0.136 3.862 4.340 -0.569 0.000 0.205 117 L C 2.470 179.349 176.870 0.014 0.000 1.079 117 L CA 1.790 56.619 54.840 -0.019 0.000 0.752 117 L CB -0.579 41.468 42.059 -0.019 0.000 0.906 117 L HN 0.350 nan 8.230 nan 0.000 0.436 118 D N -0.017 120.388 120.400 0.009 0.000 2.116 118 D HA -0.173 4.126 4.640 -0.569 0.000 0.193 118 D C 2.121 178.441 176.300 0.033 0.000 0.998 118 D CA 1.501 55.514 54.000 0.022 0.000 0.836 118 D CB 0.032 40.837 40.800 0.008 0.000 0.951 118 D HN 0.061 nan 8.370 nan 0.000 0.449 119 V N 1.225 121.153 119.914 0.024 0.000 2.214 119 V HA -0.291 3.488 4.120 -0.569 0.000 0.245 119 V C 2.918 179.044 176.094 0.053 0.000 1.047 119 V CA 2.425 64.748 62.300 0.039 0.000 0.998 119 V CB -1.149 30.695 31.823 0.034 0.000 0.633 119 V HN 0.319 nan 8.190 nan 0.000 0.446 120 V N 0.045 119.983 119.914 0.040 0.000 2.313 120 V HA -0.401 3.378 4.120 -0.569 0.000 0.253 120 V C 2.410 178.555 176.094 0.084 0.000 1.070 120 V CA 2.691 65.021 62.300 0.049 0.000 1.057 120 V CB -1.106 30.703 31.823 -0.025 0.000 0.653 120 V HN 0.505 nan 8.190 nan 0.000 0.450 121 R N 0.626 121.191 120.500 0.109 0.000 2.081 121 R HA -0.127 3.872 4.340 -0.569 0.000 0.235 121 R C 2.572 178.947 176.300 0.125 0.000 1.131 121 R CA 1.716 57.919 56.100 0.171 0.000 0.960 121 R CB -0.543 29.865 30.300 0.181 0.000 0.856 121 R HN 0.658 nan 8.270 nan 0.000 0.436 122 K N 0.764 121.220 120.400 0.093 0.000 2.362 122 K HA -0.178 3.801 4.320 -0.569 0.000 0.202 122 K C 1.108 177.756 176.600 0.080 0.000 1.045 122 K CA 1.374 57.708 56.287 0.077 0.000 0.936 122 K CB 0.265 32.804 32.500 0.066 0.000 0.747 122 K HN 0.097 nan 8.250 nan 0.000 0.467 123 E N -0.644 119.609 120.200 0.088 0.000 2.290 123 E HA 0.047 4.055 4.350 -0.569 0.000 0.199 123 E C 1.912 178.557 176.600 0.076 0.000 0.912 123 E CA 0.373 56.823 56.400 0.083 0.000 0.924 123 E CB 0.123 29.880 29.700 0.095 0.000 0.901 123 E HN 0.124 nan 8.360 nan 0.000 0.487 124 S N 1.774 117.534 115.700 0.100 0.000 2.399 124 S HA -0.096 4.033 4.470 -0.569 0.000 0.231 124 S C 1.152 175.829 174.600 0.128 0.000 1.022 124 S CA 0.959 59.224 58.200 0.109 0.000 0.983 124 S CB -0.041 63.282 63.200 0.206 0.000 0.803 124 S HN 0.208 nan 8.310 nan 0.000 0.480 125 E N 1.336 121.609 120.200 0.123 0.000 2.335 125 E HA 0.232 4.240 4.350 -0.569 0.000 0.191 125 E C 1.152 177.791 176.600 0.065 0.000 1.077 125 E CA -0.108 56.349 56.400 0.096 0.000 1.010 125 E CB -0.019 29.736 29.700 0.091 0.000 1.141 125 E HN 0.313 nan 8.360 nan 0.000 0.452 126 S N -0.015 115.718 115.700 0.055 0.000 2.455 126 S HA -0.061 4.068 4.470 -0.569 0.000 0.199 126 S C 0.609 175.229 174.600 0.033 0.000 1.169 126 S CA 0.617 58.842 58.200 0.042 0.000 1.503 126 S CB 0.180 63.398 63.200 0.029 0.000 0.960 126 S HN 0.444 nan 8.310 nan 0.000 0.385 127 C N 0.476 119.787 119.300 0.019 0.000 3.247 127 C HA 0.564 4.683 4.460 -0.569 0.000 0.375 127 C C -1.498 173.492 174.990 -0.001 0.000 1.102 127 C CA -0.525 58.501 59.018 0.014 0.000 1.227 127 C CB 0.543 28.294 27.740 0.018 0.000 1.586 127 C HN 1.033 nan 8.230 nan 0.000 0.544 128 D N -0.303 120.098 120.400 0.002 0.000 10.332 128 D HA -0.180 4.119 4.640 -0.569 0.000 0.355 128 D C -0.500 175.792 176.300 -0.013 0.000 3.041 128 D CA 0.361 54.357 54.000 -0.007 0.000 2.465 128 D CB -0.336 40.454 40.800 -0.017 0.000 1.204 128 D HN 0.824 nan 8.370 nan 0.000 1.002 129 C N 1.798 121.086 119.300 -0.020 0.000 2.520 129 C HA 0.509 4.628 4.460 -0.569 0.000 0.369 129 C C 0.626 175.582 174.990 -0.055 0.000 1.244 129 C CA -0.522 58.481 59.018 -0.025 0.000 1.677 129 C CB -2.244 25.484 27.740 -0.020 0.000 2.324 129 C HN 0.458 nan 8.230 nan 0.000 0.557 130 L N 4.754 125.934 121.223 -0.071 0.000 2.426 130 L HA 0.306 4.305 4.340 -0.569 0.000 0.271 130 L C 1.057 177.831 176.870 -0.161 0.000 1.169 130 L CA -0.118 54.636 54.840 -0.144 0.000 0.836 130 L CB 0.566 42.500 42.059 -0.208 0.000 1.112 130 L HN 0.633 nan 8.230 nan 0.000 0.465 131 Q N 2.783 122.467 119.800 -0.195 0.000 2.033 131 Q HA 0.320 4.319 4.340 -0.569 0.000 0.196 131 Q C 0.701 176.578 176.000 -0.205 0.000 0.970 131 Q CA 1.455 57.160 55.803 -0.162 0.000 0.828 131 Q CB 0.217 28.865 28.738 -0.150 0.000 0.895 131 Q HN 1.081 nan 8.270 nan 0.000 0.440 132 G N -2.463 106.130 108.800 -0.346 0.000 2.435 132 G HA2 0.375 3.994 3.960 -0.569 0.000 0.296 132 G HA3 0.375 3.994 3.960 -0.569 0.000 0.296 132 G C -1.620 172.846 174.900 -0.724 0.000 1.240 132 G CA -0.815 44.014 45.100 -0.452 0.000 0.872 132 G HN 0.063 nan 8.290 nan 0.000 0.480 133 F N 0.184 120.111 119.950 -0.038 0.000 2.546 133 F HA 0.654 4.833 4.527 -0.580 0.000 0.320 133 F C -0.007 175.801 175.800 0.013 0.000 1.076 133 F CA -0.821 57.160 58.000 -0.031 0.000 0.928 133 F CB 2.452 41.403 39.000 -0.080 0.000 1.189 133 F HN 0.000 nan 8.300 nan 0.000 0.465 134 Q N 3.218 123.145 119.800 0.212 0.000 2.413 134 Q HA 0.394 4.393 4.340 -0.569 0.000 0.258 134 Q C -1.195 174.765 176.000 -0.067 0.000 1.037 134 Q CA -0.226 55.649 55.803 0.119 0.000 0.764 134 Q CB 2.334 31.167 28.738 0.159 0.000 1.217 134 Q HN 0.686 nan 8.270 nan 0.000 0.490 135 L N 3.138 124.336 121.223 -0.042 0.000 2.295 135 L HA 0.400 4.399 4.340 -0.569 0.000 0.281 135 L C -0.439 176.392 176.870 -0.065 0.000 1.018 135 L CA -0.256 54.486 54.840 -0.164 0.000 0.841 135 L CB 1.150 43.107 42.059 -0.169 0.000 1.218 135 L HN 0.431 nan 8.230 nan 0.000 0.424 136 T N 0.802 115.264 114.554 -0.154 0.000 2.837 136 T HA 0.679 4.688 4.350 -0.569 0.000 0.285 136 T C -0.393 174.406 174.700 0.165 0.000 0.984 136 T CA -0.607 61.521 62.100 0.047 0.000 1.049 136 T CB 1.357 70.185 68.868 -0.067 0.000 0.947 136 T HN 0.734 nan 8.240 nan 0.000 0.472 137 H N -0.305 118.764 119.070 -0.002 0.000 2.865 137 H HA 0.547 4.746 4.556 -0.596 0.000 0.265 137 H C -1.650 173.693 175.328 0.025 0.000 1.477 137 H CA -0.938 55.108 56.048 -0.003 0.000 1.157 137 H CB 0.581 30.339 29.762 -0.006 0.000 1.858 137 H HN 0.755 nan 8.280 nan 0.000 0.594 138 S N 0.189 115.726 115.700 -0.272 0.000 2.513 138 S HA 0.513 4.642 4.470 -0.569 0.000 0.299 138 S C -0.174 174.283 174.600 -0.238 0.000 1.087 138 S CA -0.913 57.123 58.200 -0.274 0.000 1.012 138 S CB 1.828 64.967 63.200 -0.100 0.000 1.044 138 S HN 0.371 nan 8.310 nan 0.000 0.485 139 L N 2.621 123.731 121.223 -0.188 0.000 2.737 139 L HA 0.443 4.442 4.340 -0.569 0.000 0.236 139 L C 1.441 178.333 176.870 0.037 0.000 1.219 139 L CA 0.532 55.352 54.840 -0.035 0.000 1.021 139 L CB -0.054 41.980 42.059 -0.040 0.000 1.291 139 L HN 1.090 nan 8.230 nan 0.000 0.470 140 G N -2.498 106.326 108.800 0.041 0.000 3.314 140 G HA2 0.265 3.884 3.960 -0.569 0.000 0.230 140 G HA3 0.265 3.884 3.960 -0.569 0.000 0.230 140 G C 0.924 175.877 174.900 0.089 0.000 1.058 140 G CA 0.465 45.604 45.100 0.065 0.000 0.926 140 G HN 0.383 nan 8.290 nan 0.000 0.564 141 G N 0.167 109.017 108.800 0.084 0.000 2.568 141 G HA2 0.478 4.097 3.960 -0.569 0.000 0.212 141 G HA3 0.478 4.097 3.960 -0.569 0.000 0.212 141 G C 0.911 175.874 174.900 0.106 0.000 1.821 141 G CA 1.091 46.236 45.100 0.074 0.000 0.904 141 G HN 0.896 nan 8.290 nan 0.000 0.566 142 G N -1.478 107.376 108.800 0.089 0.000 3.645 142 G HA2 0.103 3.722 3.960 -0.569 0.000 0.122 142 G HA3 0.103 3.722 3.960 -0.569 0.000 0.122 142 G C 1.421 176.338 174.900 0.030 0.000 1.252 142 G CA 1.444 46.588 45.100 0.075 0.000 1.225 142 G HN 0.863 nan 8.290 nan 0.000 0.541 143 T N 0.809 115.369 114.554 0.011 0.000 3.093 143 T HA 0.190 4.199 4.350 -0.569 0.000 0.270 143 T C 1.862 176.567 174.700 0.007 0.000 1.170 143 T CA 2.443 64.540 62.100 -0.005 0.000 1.072 143 T CB -0.482 68.388 68.868 0.003 0.000 0.863 143 T HN 0.699 nan 8.240 nan 0.000 0.562 144 G N 0.002 108.836 108.800 0.056 0.000 2.747 144 G HA2 0.128 3.747 3.960 -0.569 0.000 0.202 144 G HA3 0.128 3.747 3.960 -0.569 0.000 0.202 144 G C 1.720 176.774 174.900 0.257 0.000 1.090 144 G CA 0.653 45.833 45.100 0.133 0.000 0.779 144 G HN 0.613 nan 8.290 nan 0.000 0.535 145 S N 1.050 116.890 115.700 0.233 0.000 2.331 145 S HA 0.101 4.229 4.470 -0.569 0.000 0.208 145 S C 2.457 177.158 174.600 0.169 0.000 1.032 145 S CA 1.535 59.945 58.200 0.350 0.000 0.991 145 S CB -1.190 62.305 63.200 0.492 0.000 0.980 145 S HN 0.358 nan 8.310 nan 0.000 0.433 146 G N 0.951 109.495 108.800 -0.426 0.000 2.448 146 G HA2 -0.044 3.575 3.960 -0.569 0.000 0.218 146 G HA3 -0.044 3.575 3.960 -0.569 0.000 0.218 146 G C 1.455 176.074 174.900 -0.469 0.000 1.135 146 G CA 0.732 45.051 45.100 -1.302 0.000 0.784 146 G HN 0.308 nan 8.290 nan 0.000 0.543 147 M N 1.371 120.801 119.600 -0.284 0.000 2.132 147 M HA 0.048 4.187 4.480 -0.569 0.000 0.263 147 M C 2.588 178.804 176.300 -0.140 0.000 1.065 147 M CA 1.470 56.656 55.300 -0.190 0.000 1.122 147 M CB -1.140 31.386 32.600 -0.123 0.000 1.365 147 M HN 0.241 nan 8.290 nan 0.000 0.411 148 G N -0.261 108.478 108.800 -0.102 0.000 2.434 148 G HA2 -0.238 3.381 3.960 -0.569 0.000 0.214 148 G HA3 -0.238 3.381 3.960 -0.569 0.000 0.214 148 G C 1.407 176.239 174.900 -0.113 0.000 1.202 148 G CA 1.994 46.996 45.100 -0.163 0.000 0.788 148 G HN 0.536 nan 8.290 nan 0.000 0.539 149 T N 0.143 114.695 114.554 -0.003 0.000 2.714 149 T HA -0.231 3.778 4.350 -0.569 0.000 0.268 149 T C 2.282 177.054 174.700 0.120 0.000 1.036 149 T CA 1.582 63.740 62.100 0.096 0.000 1.148 149 T CB -0.405 68.607 68.868 0.239 0.000 0.856 149 T HN 0.106 nan 8.240 nan 0.000 0.462 150 L N -0.472 120.812 121.223 0.101 0.000 2.275 150 L HA 0.196 4.195 4.340 -0.569 0.000 0.215 150 L C 1.935 178.722 176.870 -0.138 0.000 1.119 150 L CA 1.131 55.873 54.840 -0.163 0.000 0.790 150 L CB -0.602 41.110 42.059 -0.579 0.000 0.919 150 L HN 0.209 nan 8.230 nan 0.000 0.443 151 L N -0.688 120.461 121.223 -0.123 0.000 2.116 151 L HA 0.009 4.008 4.340 -0.569 0.000 0.200 151 L C 2.336 179.118 176.870 -0.146 0.000 1.084 151 L CA 1.770 56.523 54.840 -0.145 0.000 0.766 151 L CB -1.103 40.856 42.059 -0.167 0.000 0.930 151 L HN 0.338 nan 8.230 nan 0.000 0.453 152 I N -3.926 116.560 120.570 -0.141 0.000 2.530 152 I HA -0.190 3.639 4.170 -0.569 0.000 0.257 152 I C 2.049 178.118 176.117 -0.081 0.000 1.179 152 I CA 1.456 62.676 61.300 -0.133 0.000 1.440 152 I CB -0.512 37.425 38.000 -0.105 0.000 1.087 152 I HN 0.133 nan 8.210 nan 0.000 0.440 153 S N 0.107 115.779 115.700 -0.046 0.000 2.575 153 S HA 0.186 4.315 4.470 -0.569 0.000 0.215 153 S C 1.486 176.071 174.600 -0.025 0.000 0.966 153 S CA 0.066 58.256 58.200 -0.016 0.000 0.911 153 S CB -0.066 63.157 63.200 0.037 0.000 0.780 153 S HN 0.492 nan 8.310 nan 0.000 0.514 154 K N -0.152 120.216 120.400 -0.053 0.000 2.464 154 K HA 0.291 4.270 4.320 -0.569 0.000 0.206 154 K C 1.025 177.601 176.600 -0.040 0.000 1.186 154 K CA -0.141 56.117 56.287 -0.048 0.000 0.990 154 K CB 0.272 32.732 32.500 -0.067 0.000 1.003 154 K HN 0.225 nan 8.250 nan 0.000 0.562 155 I N 1.727 122.246 120.570 -0.086 0.000 2.233 155 I HA -0.144 3.685 4.170 -0.569 0.000 0.243 155 I C 2.085 178.236 176.117 0.057 0.000 1.093 155 I CA 1.340 62.575 61.300 -0.108 0.000 1.380 155 I CB -0.630 37.119 38.000 -0.418 0.000 1.067 155 I HN 0.136 nan 8.210 nan 0.000 0.413 156 R N 0.711 121.216 120.500 0.009 0.000 2.139 156 R HA -0.194 3.805 4.340 -0.569 0.000 0.243 156 R C 1.882 178.202 176.300 0.034 0.000 1.145 156 R CA 1.099 57.229 56.100 0.049 0.000 0.976 156 R CB -0.366 29.942 30.300 0.013 0.000 0.866 156 R HN 0.524 nan 8.270 nan 0.000 0.449 157 E N 0.235 120.440 120.200 0.008 0.000 2.333 157 E HA -0.168 3.841 4.350 -0.569 0.000 0.198 157 E C 0.956 177.521 176.600 -0.059 0.000 1.007 157 E CA 0.903 57.292 56.400 -0.018 0.000 0.845 157 E CB 0.140 29.829 29.700 -0.019 0.000 0.766 157 E HN 0.455 nan 8.360 nan 0.000 0.507 158 E N -1.216 118.943 120.200 -0.068 0.000 2.601 158 E HA 0.059 4.068 4.350 -0.569 0.000 0.219 158 E C -0.557 175.545 176.600 -0.830 0.000 0.964 158 E CA -0.022 56.162 56.400 -0.360 0.000 1.050 158 E CB 0.793 30.303 29.700 -0.317 0.000 1.068 158 E HN 0.209 nan 8.360 nan 0.000 0.496 159 Y N -0.152 120.174 120.300 0.042 0.000 2.779 159 Y HA 0.186 4.396 4.550 -0.567 0.000 0.271 159 Y C -1.987 173.963 175.900 0.084 0.000 0.940 159 Y CA -1.517 56.647 58.100 0.107 0.000 1.112 159 Y CB 0.677 39.297 38.460 0.267 0.000 1.200 159 Y HN 0.014 nan 8.280 nan 0.000 0.643 160 P HA -0.144 nan 4.420 nan 0.000 0.224 160 P C 0.222 177.562 177.300 0.067 0.000 1.142 160 P CA 1.571 64.707 63.100 0.060 0.000 0.778 160 P CB 0.631 32.338 31.700 0.013 0.000 0.764 161 D N -0.509 119.944 120.400 0.090 0.000 2.355 161 D HA 0.008 4.307 4.640 -0.569 0.000 0.233 161 D C 1.030 177.383 176.300 0.089 0.000 0.997 161 D CA 0.342 54.385 54.000 0.072 0.000 0.920 161 D CB -0.339 40.496 40.800 0.059 0.000 1.063 161 D HN 0.035 nan 8.370 nan 0.000 0.465 162 R N 1.461 122.045 120.500 0.142 0.000 2.862 162 R HA 0.037 4.036 4.340 -0.569 0.000 0.267 162 R C 0.411 176.773 176.300 0.104 0.000 0.995 162 R CA -0.107 56.057 56.100 0.108 0.000 1.140 162 R CB -0.410 29.973 30.300 0.138 0.000 1.031 162 R HN 0.185 nan 8.270 nan 0.000 0.459 163 I N -1.211 119.391 120.570 0.053 0.000 2.396 163 I HA 0.296 4.125 4.170 -0.569 0.000 0.292 163 I C 0.319 176.503 176.117 0.111 0.000 0.999 163 I CA -0.268 61.068 61.300 0.060 0.000 1.310 163 I CB 0.583 38.601 38.000 0.031 0.000 1.404 163 I HN 0.110 nan 8.210 nan 0.000 0.496 164 M N 5.013 124.669 119.600 0.093 0.000 2.061 164 M HA 0.419 4.558 4.480 -0.569 0.000 0.346 164 M C -0.705 175.624 176.300 0.048 0.000 1.112 164 M CA 0.003 55.362 55.300 0.098 0.000 1.021 164 M CB 0.327 32.953 32.600 0.044 0.000 1.530 164 M HN 0.780 nan 8.290 nan 0.000 0.437 165 N N 0.997 119.756 118.700 0.097 0.000 2.671 165 N HA 0.739 5.138 4.740 -0.569 0.000 0.303 165 N C -1.070 174.489 175.510 0.082 0.000 1.277 165 N CA -0.264 52.847 53.050 0.103 0.000 0.933 165 N CB 1.469 40.083 38.487 0.212 0.000 1.190 165 N HN 0.487 nan 8.380 nan 0.000 0.600 166 T N 0.237 114.862 114.554 0.118 0.000 3.542 166 T HA 0.187 4.196 4.350 -0.569 0.000 0.433 166 T C -1.864 172.929 174.700 0.156 0.000 1.572 166 T CA -0.556 61.637 62.100 0.155 0.000 1.107 166 T CB -0.220 68.713 68.868 0.109 0.000 1.511 166 T HN 0.271 nan 8.240 nan 0.000 0.456 167 F N 3.194 123.269 119.950 0.209 0.000 2.389 167 F HA 0.350 4.752 4.527 -0.209 0.000 0.327 167 F C 1.111 176.992 175.800 0.136 0.000 1.204 167 F CA -0.780 57.339 58.000 0.197 0.000 1.209 167 F CB 0.684 39.709 39.000 0.042 0.000 1.460 167 F HN 0.473 nan 8.300 nan 0.000 0.537 168 S N 0.015 115.857 115.700 0.238 0.000 2.510 168 S HA 0.334 4.463 4.470 -0.569 0.000 0.279 168 S C -0.073 174.494 174.600 -0.055 0.000 1.284 168 S CA -0.776 57.420 58.200 -0.006 0.000 1.059 168 S CB 1.216 64.471 63.200 0.091 0.000 0.901 168 S HN 0.152 nan 8.310 nan 0.000 0.491 169 V N 5.283 125.105 119.914 -0.154 0.000 2.326 169 V HA 0.106 3.885 4.120 -0.569 0.000 0.249 169 V C 0.482 176.521 176.094 -0.092 0.000 1.114 169 V CA -0.565 61.684 62.300 -0.085 0.000 1.028 169 V CB -0.384 31.393 31.823 -0.077 0.000 1.170 169 V HN 0.838 nan 8.190 nan 0.000 0.494 170 V N 4.715 124.591 119.914 -0.064 0.000 2.637 170 V HA 0.295 4.074 4.120 -0.569 0.000 0.296 170 V C -2.156 173.908 176.094 -0.050 0.000 1.046 170 V CA -2.387 59.878 62.300 -0.058 0.000 1.066 170 V CB 0.006 31.782 31.823 -0.077 0.000 0.968 170 V HN 0.570 nan 8.190 nan 0.000 0.483 171 P HA 0.043 nan 4.420 nan 0.000 0.258 171 P C 0.187 177.471 177.300 -0.026 0.000 1.172 171 P CA 0.651 63.737 63.100 -0.022 0.000 0.762 171 P CB 0.164 31.854 31.700 -0.018 0.000 0.764 172 S N 6.716 122.411 115.700 -0.008 0.000 2.558 172 S HA -0.006 4.123 4.470 -0.569 0.000 0.291 172 S C -0.637 173.957 174.600 -0.011 0.000 1.306 172 S CA -0.545 57.653 58.200 -0.004 0.000 1.056 172 S CB -0.109 63.114 63.200 0.040 0.000 0.836 172 S HN 0.497 nan 8.310 nan 0.000 0.504 173 P HA -0.127 nan 4.420 nan 0.000 0.218 173 P C 0.591 177.881 177.300 -0.018 0.000 1.149 173 P CA 1.338 64.419 63.100 -0.031 0.000 0.817 173 P CB 0.301 31.974 31.700 -0.045 0.000 0.785 174 K N -0.582 119.816 120.400 -0.003 0.000 2.159 174 K HA 0.168 4.147 4.320 -0.569 0.000 0.210 174 K C 0.496 177.097 176.600 0.002 0.000 1.026 174 K CA 0.632 56.917 56.287 -0.003 0.000 0.959 174 K CB 0.071 32.570 32.500 -0.002 0.000 0.890 174 K HN -0.091 nan 8.250 nan 0.000 0.459 175 V N 2.284 122.210 119.914 0.019 0.000 2.407 175 V HA 0.246 4.025 4.120 -0.569 0.000 0.291 175 V C -0.599 175.519 176.094 0.040 0.000 1.018 175 V CA -0.862 61.450 62.300 0.021 0.000 0.842 175 V CB 1.519 33.350 31.823 0.013 0.000 0.996 175 V HN 0.150 nan 8.190 nan 0.000 0.426 176 S N 2.588 118.303 115.700 0.024 0.000 2.565 176 S HA 0.261 4.390 4.470 -0.569 0.000 0.274 176 S C 0.515 175.138 174.600 0.038 0.000 1.309 176 S CA -0.554 57.662 58.200 0.027 0.000 1.043 176 S CB 0.928 64.130 63.200 0.003 0.000 0.939 176 S HN 0.773 nan 8.310 nan 0.000 0.504 177 D N 1.955 122.387 120.400 0.054 0.000 2.336 177 D HA 0.143 4.442 4.640 -0.569 0.000 0.228 177 D C 0.239 176.561 176.300 0.037 0.000 1.120 177 D CA 0.413 54.450 54.000 0.063 0.000 0.839 177 D CB 0.298 41.157 40.800 0.098 0.000 0.932 177 D HN 0.435 nan 8.370 nan 0.000 0.509 178 T N -1.814 112.751 114.554 0.019 0.000 2.696 178 T HA 0.353 4.362 4.350 -0.569 0.000 0.291 178 T C 1.188 175.872 174.700 -0.025 0.000 1.095 178 T CA -0.567 61.534 62.100 0.002 0.000 1.026 178 T CB 2.109 70.982 68.868 0.009 0.000 1.390 178 T HN -0.303 nan 8.240 nan 0.000 0.513 179 V N 0.240 120.113 119.914 -0.068 0.000 2.840 179 V HA 0.077 3.855 4.120 -0.569 0.000 0.234 179 V C 1.629 177.570 176.094 -0.254 0.000 1.159 179 V CA 0.338 62.544 62.300 -0.157 0.000 1.194 179 V CB 0.047 31.750 31.823 -0.199 0.000 0.971 179 V HN 0.778 nan 8.190 nan 0.000 0.494 180 V N 0.012 119.779 119.914 -0.244 0.000 3.299 180 V HA 0.144 3.923 4.120 -0.569 0.000 0.369 180 V C 1.608 177.727 176.094 0.042 0.000 1.245 180 V CA 0.461 62.707 62.300 -0.090 0.000 1.459 180 V CB -0.947 31.008 31.823 0.221 0.000 1.203 180 V HN 0.446 nan 8.190 nan 0.000 0.451 181 E N 3.404 123.584 120.200 -0.033 0.000 2.019 181 E HA -0.144 3.865 4.350 -0.569 0.000 0.208 181 E C 0.070 176.687 176.600 0.028 0.000 1.030 181 E CA 2.666 59.069 56.400 0.005 0.000 0.856 181 E CB -1.194 28.491 29.700 -0.024 0.000 0.781 181 E HN 0.534 nan 8.360 nan 0.000 0.471 182 P HA -0.231 nan 4.420 nan 0.000 0.217 182 P C 1.122 178.575 177.300 0.255 0.000 1.151 182 P CA 1.736 64.869 63.100 0.055 0.000 0.849 182 P CB -0.297 31.403 31.700 -0.001 0.000 0.787 183 Y N 0.715 121.130 120.300 0.192 0.000 2.036 183 Y HA -0.190 4.018 4.550 -0.570 0.000 0.273 183 Y C 2.728 178.657 175.900 0.049 0.000 1.135 183 Y CA 0.965 59.157 58.100 0.153 0.000 1.106 183 Y CB -1.010 37.446 38.460 -0.006 0.000 0.976 183 Y HN -0.059 nan 8.280 nan 0.000 0.483 184 N N 0.409 119.317 118.700 0.347 0.000 2.258 184 N HA -0.206 4.193 4.740 -0.569 0.000 0.187 184 N C 1.543 177.068 175.510 0.025 0.000 1.012 184 N CA 1.088 54.295 53.050 0.262 0.000 0.870 184 N CB -0.549 38.148 38.487 0.349 0.000 0.977 184 N HN 0.386 nan 8.380 nan 0.000 0.434 185 A N 0.981 123.801 122.820 0.001 0.000 1.881 185 A HA -0.128 3.851 4.320 -0.569 0.000 0.208 185 A C 2.294 179.709 177.584 -0.281 0.000 1.264 185 A CA 2.108 54.088 52.037 -0.094 0.000 0.629 185 A CB -1.512 17.441 19.000 -0.079 0.000 0.906 185 A HN 0.234 nan 8.150 nan 0.000 0.476 186 T N 0.427 114.724 114.554 -0.429 0.000 2.656 186 T HA -0.269 3.740 4.350 -0.569 0.000 0.262 186 T C 1.755 176.048 174.700 -0.678 0.000 1.070 186 T CA 2.134 63.821 62.100 -0.688 0.000 1.160 186 T CB -0.746 67.309 68.868 -1.355 0.000 0.855 186 T HN 0.351 nan 8.240 nan 0.000 0.456 187 L N 0.171 120.884 121.223 -0.850 0.000 2.079 187 L HA -0.143 3.856 4.340 -0.569 0.000 0.210 187 L C 2.841 179.097 176.870 -1.022 0.000 1.081 187 L CA 1.166 55.224 54.840 -1.303 0.000 0.752 187 L CB -0.551 40.263 42.059 -2.075 0.000 0.896 187 L HN 0.273 nan 8.230 nan 0.000 0.433 188 S N -0.356 115.018 115.700 -0.543 0.000 2.336 188 S HA -0.186 3.943 4.470 -0.569 0.000 0.214 188 S C 1.967 176.620 174.600 0.088 0.000 1.032 188 S CA 1.462 59.748 58.200 0.143 0.000 1.001 188 S CB -0.287 63.059 63.200 0.245 0.000 0.953 188 S HN 0.360 nan 8.310 nan 0.000 0.430 189 V N 1.848 121.739 119.914 -0.039 0.000 2.546 189 V HA -0.223 3.556 4.120 -0.569 0.000 0.254 189 V C 2.073 178.148 176.094 -0.033 0.000 1.076 189 V CA 2.923 65.189 62.300 -0.057 0.000 1.087 189 V CB -1.207 30.424 31.823 -0.320 0.000 0.674 189 V HN 0.740 nan 8.190 nan 0.000 0.470 190 H N 0.542 119.487 119.070 -0.207 0.000 2.400 190 H HA -0.217 3.997 4.556 -0.570 0.000 0.295 190 H C 2.140 177.426 175.328 -0.070 0.000 1.118 190 H CA 2.811 58.745 56.048 -0.191 0.000 1.256 190 H CB -0.130 29.456 29.762 -0.293 0.000 1.365 190 H HN 0.534 nan 8.280 nan 0.000 0.502 191 Q N -0.669 119.121 119.800 -0.016 0.000 2.204 191 Q HA 0.147 4.146 4.340 -0.569 0.000 0.198 191 Q C 2.635 178.640 176.000 0.008 0.000 0.946 191 Q CA 0.800 56.590 55.803 -0.022 0.000 0.859 191 Q CB -0.016 28.779 28.738 0.095 0.000 0.946 191 Q HN 0.434 nan 8.270 nan 0.000 0.474 192 L N -0.742 120.525 121.223 0.074 0.000 1.988 192 L HA -0.136 3.863 4.340 -0.569 0.000 0.207 192 L C 2.137 179.065 176.870 0.097 0.000 1.071 192 L CA 0.963 55.870 54.840 0.112 0.000 0.744 192 L CB -0.755 41.450 42.059 0.244 0.000 0.893 192 L HN 0.113 nan 8.230 nan 0.000 0.433 193 V N -0.178 119.872 119.914 0.226 0.000 2.592 193 V HA -0.289 3.490 4.120 -0.569 0.000 0.262 193 V C 0.905 177.003 176.094 0.006 0.000 1.108 193 V CA 1.896 64.341 62.300 0.243 0.000 1.121 193 V CB -0.359 31.583 31.823 0.198 0.000 0.689 193 V HN 0.519 nan 8.190 nan 0.000 0.479 194 E N -0.500 119.680 120.200 -0.033 0.000 4.120 194 E HA 0.278 4.287 4.350 -0.569 0.000 0.202 194 E C -0.272 176.290 176.600 -0.063 0.000 1.067 194 E CA -0.059 56.300 56.400 -0.067 0.000 1.424 194 E CB 0.164 29.814 29.700 -0.083 0.000 1.164 194 E HN 0.612 nan 8.360 nan 0.000 0.439 195 N N 0.146 118.811 118.700 -0.058 0.000 1.839 195 N HA -0.002 4.397 4.740 -0.569 0.000 0.232 195 N C -0.053 175.427 175.510 -0.050 0.000 1.425 195 N CA 0.397 53.420 53.050 -0.045 0.000 0.743 195 N CB 1.378 39.844 38.487 -0.034 0.000 1.044 195 N HN 0.110 nan 8.380 nan 0.000 0.519 196 T N -0.199 114.307 114.554 -0.080 0.000 2.949 196 T HA 0.525 4.534 4.350 -0.569 0.000 0.287 196 T C -0.126 174.473 174.700 -0.168 0.000 1.034 196 T CA -0.443 61.590 62.100 -0.111 0.000 1.018 196 T CB 1.924 70.707 68.868 -0.142 0.000 1.135 196 T HN -0.018 nan 8.240 nan 0.000 0.532 197 D N -1.739 118.555 120.400 -0.178 0.000 2.594 197 D HA 0.239 4.537 4.640 -0.569 0.000 0.256 197 D C -0.396 175.770 176.300 -0.222 0.000 1.393 197 D CA -0.419 53.474 54.000 -0.178 0.000 0.797 197 D CB 0.195 40.948 40.800 -0.079 0.000 1.110 197 D HN 0.729 nan 8.370 nan 0.000 0.495 198 E N -0.451 119.504 120.200 -0.408 0.000 2.597 198 E HA 0.416 4.425 4.350 -0.569 0.000 0.310 198 E C -1.500 174.551 176.600 -0.915 0.000 0.970 198 E CA -0.622 55.316 56.400 -0.770 0.000 0.819 198 E CB 1.665 31.233 29.700 -0.219 0.000 1.267 198 E HN -0.066 nan 8.360 nan 0.000 0.411 199 T N 1.825 115.547 114.554 -1.388 0.000 3.186 199 T HA 0.244 4.252 4.350 -0.569 0.000 0.320 199 T C -1.274 173.003 174.700 -0.705 0.000 0.955 199 T CA -0.713 60.961 62.100 -0.709 0.000 1.030 199 T CB -0.006 68.815 68.868 -0.078 0.000 1.013 199 T HN 0.254 nan 8.240 nan 0.000 0.454 200 Y N 1.343 121.373 120.300 -0.451 0.000 2.486 200 Y HA 0.336 4.650 4.550 -0.393 0.000 0.348 200 Y C 1.064 176.923 175.900 -0.069 0.000 1.000 200 Y CA -1.352 56.603 58.100 -0.242 0.000 1.253 200 Y CB -0.418 37.745 38.460 -0.495 0.000 1.140 200 Y HN 0.585 nan 8.280 nan 0.000 0.526 201 C N 5.665 125.011 119.300 0.076 0.000 2.585 201 C HA 0.507 4.626 4.460 -0.569 0.000 0.406 201 C C 0.632 175.656 174.990 0.057 0.000 1.312 201 C CA -1.097 57.936 59.018 0.025 0.000 1.924 201 C CB -1.317 26.341 27.740 -0.136 0.000 2.578 201 C HN 0.676 nan 8.230 nan 0.000 0.580 202 I N 2.773 123.374 120.570 0.052 0.000 2.509 202 I HA 0.301 4.130 4.170 -0.569 0.000 0.293 202 I C -0.550 175.558 176.117 -0.014 0.000 1.020 202 I CA -0.006 61.324 61.300 0.049 0.000 1.088 202 I CB 1.543 39.598 38.000 0.092 0.000 1.267 202 I HN 0.576 nan 8.210 nan 0.000 0.430 203 D N 5.602 125.982 120.400 -0.033 0.000 2.414 203 D HA 0.181 4.480 4.640 -0.569 0.000 0.232 203 D C 0.674 176.920 176.300 -0.090 0.000 1.070 203 D CA -0.257 53.709 54.000 -0.057 0.000 0.839 203 D CB 1.399 42.162 40.800 -0.061 0.000 1.079 203 D HN 0.438 nan 8.370 nan 0.000 0.521 204 N N 1.583 120.226 118.700 -0.094 0.000 2.322 204 N HA -0.171 4.228 4.740 -0.569 0.000 0.189 204 N C 1.147 176.411 175.510 -0.409 0.000 1.012 204 N CA 1.017 53.945 53.050 -0.203 0.000 0.880 204 N CB 0.513 38.971 38.487 -0.047 0.000 0.967 204 N HN 0.508 nan 8.380 nan 0.000 0.439 205 E N 0.878 121.010 120.200 -0.113 0.000 2.042 205 E HA 0.051 4.059 4.350 -0.569 0.000 0.189 205 E C 2.087 178.697 176.600 0.017 0.000 0.974 205 E CA 0.507 56.954 56.400 0.079 0.000 0.806 205 E CB -0.598 29.168 29.700 0.109 0.000 0.769 205 E HN 0.227 nan 8.360 nan 0.000 0.451 206 A N 2.348 125.152 122.820 -0.027 0.000 1.884 206 A HA -0.217 3.762 4.320 -0.569 0.000 0.219 206 A C 2.377 179.948 177.584 -0.022 0.000 1.197 206 A CA 1.852 53.882 52.037 -0.013 0.000 0.637 206 A CB -1.171 17.813 19.000 -0.025 0.000 0.827 206 A HN 0.248 nan 8.150 nan 0.000 0.450 207 L N -2.333 118.826 121.223 -0.106 0.000 2.351 207 L HA -0.241 3.758 4.340 -0.569 0.000 0.220 207 L C 2.390 179.213 176.870 -0.079 0.000 1.127 207 L CA 1.341 56.109 54.840 -0.120 0.000 0.786 207 L CB -0.830 41.113 42.059 -0.193 0.000 0.914 207 L HN 0.535 nan 8.230 nan 0.000 0.443 208 Y N -0.093 120.217 120.300 0.017 0.000 2.205 208 Y HA -0.193 4.022 4.550 -0.559 0.000 0.292 208 Y C 2.776 178.709 175.900 0.055 0.000 1.119 208 Y CA 0.752 58.859 58.100 0.012 0.000 1.117 208 Y CB -0.183 38.255 38.460 -0.035 0.000 1.037 208 Y HN 0.201 nan 8.280 nan 0.000 0.510 209 D N 1.425 121.954 120.400 0.216 0.000 2.149 209 D HA -0.219 4.080 4.640 -0.569 0.000 0.194 209 D C 1.368 177.755 176.300 0.145 0.000 1.001 209 D CA 1.674 55.771 54.000 0.161 0.000 0.849 209 D CB -0.207 40.649 40.800 0.094 0.000 0.939 209 D HN 0.445 nan 8.370 nan 0.000 0.449 210 I N 0.457 121.085 120.570 0.098 0.000 3.680 210 I HA -0.010 3.819 4.170 -0.569 0.000 0.306 210 I C 2.205 178.367 176.117 0.074 0.000 1.260 210 I CA -0.107 61.234 61.300 0.067 0.000 1.201 210 I CB -0.211 37.811 38.000 0.036 0.000 1.009 210 I HN 0.185 nan 8.210 nan 0.000 0.467 211 C N -1.051 118.325 119.300 0.127 0.000 3.294 211 C HA 0.209 4.328 4.460 -0.569 0.000 0.441 211 C C 2.007 177.093 174.990 0.160 0.000 1.364 211 C CA -0.422 58.668 59.018 0.120 0.000 2.059 211 C CB -0.478 27.346 27.740 0.140 0.000 2.925 211 C HN 0.523 nan 8.230 nan 0.000 0.633 212 F N 2.412 122.388 119.950 0.042 0.000 2.714 212 F HA 0.322 4.507 4.527 -0.570 0.000 0.294 212 F C 2.394 178.201 175.800 0.013 0.000 1.120 212 F CA 1.261 59.275 58.000 0.023 0.000 1.398 212 F CB -0.170 38.842 39.000 0.020 0.000 1.120 212 F HN 0.350 nan 8.300 nan 0.000 0.589 213 R N -2.264 118.275 120.500 0.064 0.000 2.310 213 R HA 0.165 4.164 4.340 -0.569 0.000 0.199 213 R C 1.293 177.576 176.300 -0.028 0.000 0.891 213 R CA 0.981 57.075 56.100 -0.012 0.000 1.060 213 R CB -0.581 29.764 30.300 0.075 0.000 1.188 213 R HN -0.032 nan 8.270 nan 0.000 0.607 214 T N 1.091 115.647 114.554 0.004 0.000 3.035 214 T HA 0.318 4.327 4.350 -0.569 0.000 0.259 214 T C 0.672 175.363 174.700 -0.015 0.000 1.078 214 T CA 0.546 62.645 62.100 -0.003 0.000 1.132 214 T CB 0.051 68.928 68.868 0.016 0.000 0.900 214 T HN 0.022 nan 8.240 nan 0.000 0.480 215 L N -0.289 120.923 121.223 -0.019 0.000 2.216 215 L HA 0.591 4.590 4.340 -0.569 0.000 0.260 215 L C -0.298 176.518 176.870 -0.091 0.000 1.036 215 L CA -0.981 53.841 54.840 -0.031 0.000 0.914 215 L CB 1.301 43.357 42.059 -0.004 0.000 1.501 215 L HN -0.276 nan 8.230 nan 0.000 0.485 216 K N 0.731 121.070 120.400 -0.102 0.000 3.257 216 K HA 0.294 4.273 4.320 -0.569 0.000 0.196 216 K C -1.189 175.337 176.600 -0.123 0.000 1.089 216 K CA -0.321 55.844 56.287 -0.203 0.000 0.959 216 K CB 0.669 33.057 32.500 -0.187 0.000 0.719 216 K HN 0.083 nan 8.250 nan 0.000 0.446 217 L N 0.848 122.049 121.223 -0.037 0.000 2.416 217 L HA 0.193 4.191 4.340 -0.569 0.000 0.272 217 L C 0.695 177.620 176.870 0.091 0.000 1.161 217 L CA 1.158 56.017 54.840 0.031 0.000 0.845 217 L CB 0.997 43.091 42.059 0.059 0.000 1.119 217 L HN 0.303 nan 8.230 nan 0.000 0.464 218 T N 0.975 115.579 114.554 0.084 0.000 3.037 218 T HA 0.029 4.038 4.350 -0.569 0.000 0.252 218 T C 0.638 175.401 174.700 0.105 0.000 1.073 218 T CA 1.062 63.241 62.100 0.132 0.000 1.091 218 T CB -0.132 68.788 68.868 0.086 0.000 0.935 218 T HN 0.770 nan 8.240 nan 0.000 0.488 219 T N 1.348 115.944 114.554 0.069 0.000 3.514 219 T HA 0.316 4.325 4.350 -0.569 0.000 0.259 219 T C -2.952 171.771 174.700 0.039 0.000 1.466 219 T CA -1.678 60.444 62.100 0.036 0.000 1.562 219 T CB 0.512 69.394 68.868 0.024 0.000 0.924 219 T HN -0.005 nan 8.240 nan 0.000 0.678 220 P HA 0.183 nan 4.420 nan 0.000 0.263 220 P C -0.068 177.257 177.300 0.040 0.000 1.276 220 P CA 0.211 63.359 63.100 0.080 0.000 0.986 220 P CB 0.207 31.997 31.700 0.150 0.000 1.105 221 T N 2.497 117.068 114.554 0.028 0.000 2.810 221 T HA 0.146 4.155 4.350 -0.569 0.000 0.277 221 T C 1.204 175.914 174.700 0.017 0.000 0.973 221 T CA -0.147 61.944 62.100 -0.015 0.000 0.949 221 T CB 0.370 69.261 68.868 0.038 0.000 1.075 221 T HN 0.260 nan 8.240 nan 0.000 0.537 222 Y N 0.625 120.985 120.300 0.100 0.000 2.165 222 Y HA -0.106 4.102 4.550 -0.570 0.000 0.286 222 Y C 2.787 178.723 175.900 0.059 0.000 1.155 222 Y CA 1.034 59.178 58.100 0.074 0.000 1.164 222 Y CB -0.611 37.885 38.460 0.060 0.000 0.978 222 Y HN 0.854 nan 8.280 nan 0.000 0.513 223 G N -0.069 108.859 108.800 0.213 0.000 2.507 223 G HA2 -0.315 3.304 3.960 -0.569 0.000 0.221 223 G HA3 -0.315 3.304 3.960 -0.569 0.000 0.221 223 G C 0.903 175.890 174.900 0.145 0.000 1.119 223 G CA 1.734 46.921 45.100 0.145 0.000 0.751 223 G HN 0.372 nan 8.290 nan 0.000 0.574 224 D N 0.000 120.484 120.400 0.139 0.000 2.091 224 D HA -0.017 4.282 4.640 -0.569 0.000 0.199 224 D C 2.600 178.967 176.300 0.112 0.000 0.980 224 D CA 0.228 54.305 54.000 0.128 0.000 0.831 224 D CB -0.134 40.721 40.800 0.091 0.000 0.987 224 D HN 0.095 nan 8.370 nan 0.000 0.460 225 L N 1.000 122.285 121.223 0.104 0.000 1.944 225 L HA -0.215 3.784 4.340 -0.569 0.000 0.218 225 L C 1.743 178.660 176.870 0.078 0.000 1.075 225 L CA 1.865 56.746 54.840 0.068 0.000 0.767 225 L CB -1.369 40.755 42.059 0.108 0.000 0.890 225 L HN 0.193 nan 8.230 nan 0.000 0.434 226 N N -1.781 116.988 118.700 0.114 0.000 2.430 226 N HA -0.196 4.203 4.740 -0.569 0.000 0.186 226 N C 1.493 177.045 175.510 0.070 0.000 1.032 226 N CA 0.431 53.522 53.050 0.067 0.000 0.893 226 N CB -0.127 38.393 38.487 0.055 0.000 0.957 226 N HN 0.485 nan 8.380 nan 0.000 0.442 227 H N 0.660 119.720 119.070 -0.017 0.000 3.170 227 H HA -0.097 4.116 4.556 -0.572 0.000 0.308 227 H C 1.989 177.263 175.328 -0.090 0.000 1.006 227 H CA 0.600 56.611 56.048 -0.062 0.000 1.145 227 H CB -0.118 29.611 29.762 -0.055 0.000 1.647 227 H HN -0.044 nan 8.280 nan 0.000 0.883 228 L N 0.032 121.231 121.223 -0.039 0.000 2.443 228 L HA -0.394 3.605 4.340 -0.569 0.000 0.228 228 L C 2.499 179.311 176.870 -0.097 0.000 1.137 228 L CA 2.018 56.777 54.840 -0.134 0.000 0.859 228 L CB -1.188 40.819 42.059 -0.088 0.000 0.949 228 L HN 0.373 nan 8.230 nan 0.000 0.449 229 V N -1.317 118.575 119.914 -0.037 0.000 2.220 229 V HA -0.364 3.415 4.120 -0.569 0.000 0.246 229 V C 2.379 178.413 176.094 -0.100 0.000 1.049 229 V CA 2.167 64.441 62.300 -0.044 0.000 1.003 229 V CB -0.781 31.016 31.823 -0.043 0.000 0.634 229 V HN 0.613 nan 8.190 nan 0.000 0.444 230 S N 0.112 115.779 115.700 -0.056 0.000 2.399 230 S HA -0.352 3.777 4.470 -0.569 0.000 0.235 230 S C 2.140 176.704 174.600 -0.060 0.000 1.063 230 S CA 1.820 60.010 58.200 -0.016 0.000 1.070 230 S CB -0.773 62.430 63.200 0.005 0.000 0.904 230 S HN 0.710 nan 8.310 nan 0.000 0.456 231 A N 1.412 124.157 122.820 -0.125 0.000 1.849 231 A HA -0.221 3.758 4.320 -0.569 0.000 0.217 231 A C 2.503 180.033 177.584 -0.091 0.000 1.202 231 A CA 2.881 54.750 52.037 -0.280 0.000 0.629 231 A CB -1.828 16.684 19.000 -0.813 0.000 0.834 231 A HN 0.666 nan 8.150 nan 0.000 0.447 232 T N -2.161 112.378 114.554 -0.024 0.000 2.614 232 T HA -0.280 3.729 4.350 -0.569 0.000 0.263 232 T C 1.953 176.664 174.700 0.019 0.000 1.055 232 T CA 2.371 64.557 62.100 0.144 0.000 1.162 232 T CB -0.584 68.408 68.868 0.207 0.000 0.863 232 T HN 0.394 nan 8.240 nan 0.000 0.414 233 M N 1.031 120.483 119.600 -0.247 0.000 2.146 233 M HA -0.187 3.952 4.480 -0.569 0.000 0.256 233 M C 2.402 178.629 176.300 -0.122 0.000 1.075 233 M CA 2.324 57.186 55.300 -0.729 0.000 1.082 233 M CB -0.476 31.397 32.600 -1.211 0.000 1.355 233 M HN 0.559 nan 8.290 nan 0.000 0.402 234 S N -0.221 115.502 115.700 0.039 0.000 2.343 234 S HA -0.061 4.067 4.470 -0.569 0.000 0.212 234 S C 1.895 176.570 174.600 0.124 0.000 1.033 234 S CA 1.700 59.953 58.200 0.089 0.000 1.004 234 S CB -1.215 61.971 63.200 -0.024 0.000 0.977 234 S HN 0.695 nan 8.310 nan 0.000 0.427 235 G N 1.909 110.797 108.800 0.148 0.000 2.839 235 G HA2 -0.309 3.310 3.960 -0.569 0.000 0.221 235 G HA3 -0.309 3.310 3.960 -0.569 0.000 0.221 235 G C 1.488 176.473 174.900 0.141 0.000 1.271 235 G CA 2.140 47.346 45.100 0.176 0.000 0.789 235 G HN 0.568 nan 8.290 nan 0.000 0.659 236 V N 0.728 120.721 119.914 0.131 0.000 2.271 236 V HA -0.284 3.495 4.120 -0.569 0.000 0.252 236 V C 2.280 178.449 176.094 0.125 0.000 1.037 236 V CA 2.531 64.905 62.300 0.123 0.000 1.077 236 V CB -1.499 30.402 31.823 0.129 0.000 0.712 236 V HN 0.604 nan 8.190 nan 0.000 0.487 237 T N -1.517 113.130 114.554 0.154 0.000 2.801 237 T HA 0.272 4.281 4.350 -0.569 0.000 0.324 237 T C 1.224 176.007 174.700 0.138 0.000 1.088 237 T CA 0.930 63.116 62.100 0.142 0.000 0.975 237 T CB 0.650 69.647 68.868 0.215 0.000 1.316 237 T HN 0.919 nan 8.240 nan 0.000 0.533 238 T N -0.053 114.563 114.554 0.103 0.000 12.652 238 T HA -0.436 3.573 4.350 -0.569 0.000 0.418 238 T C 2.039 176.666 174.700 -0.122 0.000 1.442 238 T CA 3.967 66.101 62.100 0.058 0.000 2.373 238 T CB -2.092 66.974 68.868 0.329 0.000 2.832 238 T HN 1.037 nan 8.240 nan 0.000 0.758 239 C N 2.782 122.070 119.300 -0.020 0.000 2.369 239 C HA -0.133 3.986 4.460 -0.569 0.000 0.273 239 C C 2.758 177.798 174.990 0.084 0.000 1.172 239 C CA 2.269 61.327 59.018 0.066 0.000 1.791 239 C CB -2.009 25.851 27.740 0.200 0.000 2.086 239 C HN 0.806 nan 8.230 nan 0.000 0.459 240 L N 0.051 121.310 121.223 0.060 0.000 2.450 240 L HA -0.001 3.998 4.340 -0.569 0.000 0.224 240 L C 1.255 178.138 176.870 0.023 0.000 1.149 240 L CA 0.954 55.836 54.840 0.069 0.000 0.816 240 L CB -0.375 41.717 42.059 0.055 0.000 0.932 240 L HN 0.440 nan 8.230 nan 0.000 0.449 241 R N -0.127 120.314 120.500 -0.099 0.000 4.048 241 R HA 0.297 4.296 4.340 -0.569 0.000 0.290 241 R C -1.124 175.066 176.300 -0.182 0.000 1.519 241 R CA -0.029 55.994 56.100 -0.129 0.000 1.446 241 R CB -0.381 29.812 30.300 -0.179 0.000 1.455 241 R HN -0.041 nan 8.270 nan 0.000 0.706 242 F N -0.057 119.926 119.950 0.054 0.000 2.790 242 F HA 0.530 4.717 4.527 -0.567 0.000 0.337 242 F C -1.967 173.858 175.800 0.042 0.000 1.163 242 F CA -2.637 55.395 58.000 0.053 0.000 0.997 242 F CB 0.819 39.851 39.000 0.052 0.000 1.437 242 F HN -0.066 nan 8.300 nan 0.000 0.512 243 P HA 0.420 nan 4.420 nan 0.000 0.281 243 P C -0.952 176.423 177.300 0.124 0.000 1.252 243 P CA -0.247 62.939 63.100 0.143 0.000 0.778 243 P CB 0.783 32.539 31.700 0.095 0.000 0.895 244 G N 1.620 110.479 108.800 0.098 0.000 2.643 244 G HA2 0.196 3.815 3.960 -0.569 0.000 0.305 244 G HA3 0.196 3.815 3.960 -0.569 0.000 0.305 244 G C 0.059 174.994 174.900 0.059 0.000 1.387 244 G CA -0.498 44.654 45.100 0.086 0.000 0.982 244 G HN 0.383 nan 8.290 nan 0.000 0.501 245 Q N 0.028 119.857 119.800 0.049 0.000 2.594 245 Q HA 0.057 4.056 4.340 -0.569 0.000 0.219 245 Q C 0.231 176.250 176.000 0.032 0.000 0.980 245 Q CA 0.403 56.225 55.803 0.032 0.000 0.962 245 Q CB 0.027 28.777 28.738 0.019 0.000 0.987 245 Q HN 0.281 nan 8.270 nan 0.000 0.553 246 L N 0.441 121.690 121.223 0.043 0.000 2.414 246 L HA 0.016 4.015 4.340 -0.569 0.000 0.297 246 L C -1.283 175.617 176.870 0.050 0.000 1.255 246 L CA -0.248 54.616 54.840 0.040 0.000 0.659 246 L CB -0.436 41.645 42.059 0.037 0.000 0.949 246 L HN 0.138 nan 8.230 nan 0.000 0.518 247 N N 0.926 119.659 118.700 0.054 0.000 2.374 247 N HA 0.516 4.915 4.740 -0.569 0.000 0.241 247 N C 0.152 175.687 175.510 0.043 0.000 1.262 247 N CA 0.561 53.647 53.050 0.059 0.000 0.880 247 N CB 0.784 39.311 38.487 0.068 0.000 1.105 247 N HN 0.406 nan 8.380 nan 0.000 0.438 248 A N 0.268 123.113 122.820 0.043 0.000 2.443 248 A HA 0.803 4.782 4.320 -0.569 0.000 0.278 248 A C -1.367 176.231 177.584 0.023 0.000 1.252 248 A CA -0.540 51.513 52.037 0.027 0.000 0.816 248 A CB 1.109 20.123 19.000 0.023 0.000 1.369 248 A HN 0.966 nan 8.150 nan 0.000 0.446 249 D N -1.436 118.974 120.400 0.018 0.000 2.728 249 D HA 0.152 4.451 4.640 -0.569 0.000 0.249 249 D C 0.471 176.786 176.300 0.025 0.000 1.225 249 D CA -0.607 53.401 54.000 0.014 0.000 0.748 249 D CB 0.267 41.063 40.800 -0.006 0.000 1.326 249 D HN 0.342 nan 8.370 nan 0.000 0.426 250 L N -0.345 120.901 121.223 0.038 0.000 2.123 250 L HA -0.299 3.700 4.340 -0.569 0.000 0.217 250 L C 2.539 179.435 176.870 0.044 0.000 1.081 250 L CA 1.523 56.403 54.840 0.067 0.000 0.772 250 L CB -0.804 41.295 42.059 0.066 0.000 0.890 250 L HN 0.333 nan 8.230 nan 0.000 0.437 251 R N 1.257 121.767 120.500 0.017 0.000 2.096 251 R HA -0.159 3.840 4.340 -0.569 0.000 0.229 251 R C 2.246 178.550 176.300 0.007 0.000 1.134 251 R CA 1.979 58.084 56.100 0.008 0.000 0.917 251 R CB -0.712 29.586 30.300 -0.003 0.000 0.832 251 R HN 0.546 nan 8.270 nan 0.000 0.430 252 K N 0.761 121.163 120.400 0.002 0.000 2.211 252 K HA -0.107 3.872 4.320 -0.569 0.000 0.204 252 K C 2.361 178.953 176.600 -0.013 0.000 1.047 252 K CA 1.217 57.501 56.287 -0.006 0.000 0.935 252 K CB -0.358 32.139 32.500 -0.005 0.000 0.728 252 K HN 0.138 nan 8.250 nan 0.000 0.452 253 L N 1.265 122.486 121.223 -0.004 0.000 1.988 253 L HA -0.120 3.879 4.340 -0.569 0.000 0.207 253 L C 2.852 179.712 176.870 -0.016 0.000 1.071 253 L CA 1.303 56.128 54.840 -0.026 0.000 0.744 253 L CB -0.629 41.439 42.059 0.015 0.000 0.893 253 L HN 0.266 nan 8.230 nan 0.000 0.433 254 A N -0.632 122.213 122.820 0.041 0.000 1.978 254 A HA -0.143 3.835 4.320 -0.569 0.000 0.220 254 A C 2.167 179.761 177.584 0.016 0.000 1.170 254 A CA 1.626 53.701 52.037 0.064 0.000 0.636 254 A CB -0.765 18.268 19.000 0.056 0.000 0.810 254 A HN 0.254 nan 8.150 nan 0.000 0.448 255 V N 0.459 120.370 119.914 -0.004 0.000 3.217 255 V HA -0.093 3.686 4.120 -0.569 0.000 0.264 255 V C 1.608 177.683 176.094 -0.032 0.000 1.135 255 V CA 1.606 63.894 62.300 -0.021 0.000 1.142 255 V CB -0.683 31.129 31.823 -0.019 0.000 0.754 255 V HN 0.605 nan 8.190 nan 0.000 0.484 256 N N -1.388 117.290 118.700 -0.037 0.000 2.297 256 N HA 0.159 4.558 4.740 -0.569 0.000 0.208 256 N C 1.423 176.894 175.510 -0.065 0.000 1.176 256 N CA 0.150 53.170 53.050 -0.051 0.000 0.882 256 N CB 0.552 39.004 38.487 -0.058 0.000 1.134 256 N HN 0.284 nan 8.380 nan 0.000 0.489 257 M N 1.051 120.606 119.600 -0.075 0.000 2.509 257 M HA 0.140 4.279 4.480 -0.569 0.000 0.250 257 M C 0.662 177.007 176.300 0.074 0.000 1.132 257 M CA 0.601 55.832 55.300 -0.115 0.000 1.080 257 M CB 0.116 32.495 32.600 -0.369 0.000 1.408 257 M HN -0.118 nan 8.290 nan 0.000 0.484 258 V N -1.036 118.925 119.914 0.077 0.000 2.315 258 V HA 0.342 4.121 4.120 -0.569 0.000 0.265 258 V C -1.600 174.489 176.094 -0.009 0.000 1.019 258 V CA -1.383 60.975 62.300 0.097 0.000 0.824 258 V CB 0.521 32.377 31.823 0.055 0.000 1.072 258 V HN -0.033 nan 8.190 nan 0.000 0.448 259 P HA -0.160 nan 4.420 nan 0.000 0.212 259 P C 0.440 177.503 177.300 -0.395 0.000 1.174 259 P CA 1.424 64.428 63.100 -0.160 0.000 0.934 259 P CB 0.074 31.786 31.700 0.020 0.000 0.791 260 F N -0.567 119.283 119.950 -0.167 0.000 2.399 260 F HA 0.293 4.475 4.527 -0.575 0.000 0.328 260 F C -0.688 174.936 175.800 -0.293 0.000 1.084 260 F CA -2.366 55.507 58.000 -0.212 0.000 1.053 260 F CB -0.343 38.535 39.000 -0.203 0.000 1.209 260 F HN -0.056 nan 8.300 nan 0.000 0.502 261 P HA -0.291 nan 4.420 nan 0.000 0.219 261 P C 1.319 178.513 177.300 -0.178 0.000 1.151 261 P CA 1.382 64.425 63.100 -0.095 0.000 0.850 261 P CB 0.101 31.777 31.700 -0.038 0.000 0.784 262 R N -0.199 120.138 120.500 -0.271 0.000 2.459 262 R HA -0.159 3.840 4.340 -0.569 0.000 0.235 262 R C 1.964 178.074 176.300 -0.317 0.000 1.178 262 R CA 1.197 57.113 56.100 -0.307 0.000 1.072 262 R CB -1.517 28.536 30.300 -0.411 0.000 0.829 262 R HN 0.438 nan 8.270 nan 0.000 0.492 263 L N -3.229 117.806 121.223 -0.314 0.000 4.081 263 L HA -0.371 3.627 4.340 -0.569 0.000 0.374 263 L C -0.100 176.548 176.870 -0.370 0.000 0.713 263 L CA 2.286 56.930 54.840 -0.325 0.000 2.809 263 L CB -1.470 40.358 42.059 -0.386 0.000 0.820 263 L HN 0.559 nan 8.230 nan 0.000 0.697 264 H N -0.121 118.674 119.070 -0.458 0.000 3.340 264 H HA -0.090 4.117 4.556 -0.581 0.000 0.248 264 H C -0.429 174.481 175.328 -0.697 0.000 0.644 264 H CA 0.811 56.669 56.048 -0.317 0.000 0.783 264 H CB -0.442 29.346 29.762 0.043 0.000 1.270 264 H HN 0.400 nan 8.280 nan 0.000 0.308 265 F N 2.513 122.545 119.950 0.136 0.000 2.440 265 F HA 0.505 4.624 4.527 -0.680 0.000 0.328 265 F C 0.563 176.296 175.800 -0.111 0.000 1.070 265 F CA -0.560 57.301 58.000 -0.231 0.000 1.011 265 F CB 0.701 39.752 39.000 0.085 0.000 1.226 265 F HN 0.223 nan 8.300 nan 0.000 0.491 266 F N -0.352 119.566 119.950 -0.053 0.000 2.747 266 F HA 0.703 5.013 4.527 -0.363 0.000 0.376 266 F C -0.126 175.658 175.800 -0.027 0.000 1.256 266 F CA -1.309 56.630 58.000 -0.102 0.000 1.121 266 F CB 0.988 39.813 39.000 -0.292 0.000 1.654 266 F HN 0.069 nan 8.300 nan 0.000 0.491 267 M N 1.387 121.162 119.600 0.293 0.000 2.295 267 M HA 0.253 4.392 4.480 -0.569 0.000 0.219 267 M C -3.041 173.449 176.300 0.317 0.000 0.981 267 M CA -1.352 54.090 55.300 0.237 0.000 1.019 267 M CB 1.994 34.700 32.600 0.177 0.000 2.528 267 M HN -0.041 nan 8.290 nan 0.000 0.445 268 P HA 0.345 nan 4.420 nan 0.000 0.271 268 P C -0.128 177.360 177.300 0.314 0.000 1.216 268 P CA 0.071 63.389 63.100 0.362 0.000 0.776 268 P CB 0.915 32.844 31.700 0.382 0.000 0.881 269 G N 1.817 110.828 108.800 0.352 0.000 2.701 269 G HA2 0.564 4.183 3.960 -0.569 0.000 0.300 269 G HA3 0.564 4.183 3.960 -0.569 0.000 0.300 269 G C -1.980 173.055 174.900 0.224 0.000 1.410 269 G CA -0.230 44.999 45.100 0.214 0.000 1.014 269 G HN 0.288 nan 8.290 nan 0.000 0.509 270 F N 1.311 121.262 119.950 0.001 0.000 2.483 270 F HA 0.686 4.867 4.527 -0.577 0.000 0.329 270 F C 0.973 176.750 175.800 -0.038 0.000 1.064 270 F CA -0.262 57.735 58.000 -0.006 0.000 0.986 270 F CB 2.605 41.600 39.000 -0.007 0.000 1.218 270 F HN 0.554 nan 8.300 nan 0.000 0.484 271 A N 2.366 124.920 122.820 -0.443 0.000 1.999 271 A HA 0.298 4.277 4.320 -0.569 0.000 0.200 271 A C -1.823 175.703 177.584 -0.096 0.000 1.363 271 A CA 0.228 52.129 52.037 -0.228 0.000 0.844 271 A CB -1.011 17.839 19.000 -0.249 0.000 0.954 271 A HN 0.505 nan 8.150 nan 0.000 0.481 272 P HA 0.171 nan 4.420 nan 0.000 0.244 272 P C -0.263 177.148 177.300 0.185 0.000 1.632 272 P CA -0.103 63.038 63.100 0.069 0.000 0.944 272 P CB -0.075 31.663 31.700 0.065 0.000 1.569 273 L N 1.974 123.321 121.223 0.207 0.000 2.499 273 L HA 0.150 4.149 4.340 -0.569 0.000 0.273 273 L C 0.544 177.461 176.870 0.079 0.000 1.195 273 L CA 1.489 56.420 54.840 0.151 0.000 0.882 273 L CB 0.167 42.298 42.059 0.120 0.000 1.133 273 L HN 0.163 nan 8.230 nan 0.000 0.483 274 T N -0.536 114.052 114.554 0.055 0.000 2.952 274 T HA 0.298 4.307 4.350 -0.569 0.000 0.305 274 T C 0.029 174.745 174.700 0.027 0.000 1.064 274 T CA -0.714 61.412 62.100 0.043 0.000 1.008 274 T CB 1.260 70.164 68.868 0.061 0.000 1.078 274 T HN 0.564 nan 8.240 nan 0.000 0.459 275 S N 2.979 118.691 115.700 0.020 0.000 3.570 275 S HA 0.210 4.339 4.470 -0.569 0.000 0.259 275 S C 0.741 175.352 174.600 0.018 0.000 1.150 275 S CA -0.493 57.711 58.200 0.007 0.000 1.139 275 S CB -1.031 62.163 63.200 -0.010 0.000 1.624 275 S HN 1.080 nan 8.310 nan 0.000 0.525 276 R N 0.820 121.329 120.500 0.015 0.000 3.596 276 R HA -0.239 3.760 4.340 -0.569 0.000 0.573 276 R C 1.554 177.870 176.300 0.027 0.000 0.241 276 R CA 1.321 57.432 56.100 0.018 0.000 1.773 276 R CB -1.387 28.919 30.300 0.011 0.000 0.930 276 R HN 0.669 nan 8.270 nan 0.000 0.597 277 G N -0.317 108.497 108.800 0.023 0.000 2.485 277 G HA2 -0.320 3.299 3.960 -0.569 0.000 0.221 277 G HA3 -0.320 3.299 3.960 -0.569 0.000 0.221 277 G C 1.357 176.277 174.900 0.034 0.000 1.115 277 G CA 1.406 46.520 45.100 0.023 0.000 0.751 277 G HN 0.548 nan 8.290 nan 0.000 0.567 278 S N -0.155 115.568 115.700 0.040 0.000 2.378 278 S HA -0.148 3.981 4.470 -0.569 0.000 0.221 278 S C 1.408 176.084 174.600 0.127 0.000 1.037 278 S CA 1.311 59.549 58.200 0.063 0.000 1.069 278 S CB -0.250 62.974 63.200 0.040 0.000 1.006 278 S HN 0.349 nan 8.310 nan 0.000 0.423 279 Q N 1.438 121.321 119.800 0.138 0.000 2.431 279 Q HA 0.278 4.277 4.340 -0.569 0.000 0.234 279 Q C 0.463 176.591 176.000 0.213 0.000 1.203 279 Q CA 0.034 55.990 55.803 0.255 0.000 0.902 279 Q CB 1.234 30.060 28.738 0.147 0.000 1.455 279 Q HN 0.505 nan 8.270 nan 0.000 0.515 280 Q N 3.086 122.983 119.800 0.161 0.000 1.879 280 Q HA -0.091 3.908 4.340 -0.569 0.000 0.214 280 Q C 0.032 176.079 176.000 0.079 0.000 0.973 280 Q CA 1.211 57.014 55.803 -0.000 0.000 0.856 280 Q CB -0.190 28.438 28.738 -0.183 0.000 0.907 280 Q HN 0.659 nan 8.270 nan 0.000 0.436 281 Y N -0.188 120.114 120.300 0.003 0.000 1.587 281 Y HA -0.482 3.726 4.550 -0.569 0.000 0.191 281 Y C 0.198 176.101 175.900 0.006 0.000 0.678 281 Y CA 2.390 60.492 58.100 0.003 0.000 1.143 281 Y CB -1.281 37.180 38.460 0.002 0.000 0.625 281 Y HN 0.469 nan 8.280 nan 0.000 0.792 282 R N -0.323 120.317 120.500 0.233 0.000 2.974 282 R HA -0.131 3.868 4.340 -0.569 0.000 0.258 282 R C 0.584 176.936 176.300 0.086 0.000 0.892 282 R CA 0.190 56.363 56.100 0.121 0.000 0.664 282 R CB -1.551 28.810 30.300 0.101 0.000 1.478 282 R HN 0.623 nan 8.270 nan 0.000 0.498 283 A N 1.990 124.860 122.820 0.083 0.000 2.178 283 A HA -0.045 3.934 4.320 -0.569 0.000 0.218 283 A C 1.049 178.656 177.584 0.039 0.000 1.157 283 A CA 0.430 52.499 52.037 0.054 0.000 0.689 283 A CB 0.095 19.125 19.000 0.051 0.000 0.787 283 A HN 0.560 nan 8.150 nan 0.000 0.465 284 L N 0.514 121.763 121.223 0.043 0.000 3.565 284 L HA -0.229 3.770 4.340 -0.569 0.000 0.574 284 L C 0.877 177.762 176.870 0.025 0.000 1.024 284 L CA 1.043 55.905 54.840 0.036 0.000 1.050 284 L CB -2.342 39.740 42.059 0.039 0.000 1.049 284 L HN 0.598 nan 8.230 nan 0.000 0.689 285 T N 0.689 115.256 114.554 0.021 0.000 2.757 285 T HA 0.390 4.399 4.350 -0.569 0.000 0.179 285 T C 1.248 175.948 174.700 0.001 0.000 0.705 285 T CA 0.479 62.582 62.100 0.005 0.000 1.952 285 T CB 0.807 69.674 68.868 -0.001 0.000 2.670 285 T HN 0.266 nan 8.240 nan 0.000 0.404 286 V N 1.391 121.301 119.914 -0.006 0.000 3.180 286 V HA 0.131 3.910 4.120 -0.569 0.000 0.246 286 V C -1.541 174.576 176.094 0.037 0.000 1.545 286 V CA -0.203 62.090 62.300 -0.011 0.000 1.138 286 V CB 0.629 32.377 31.823 -0.126 0.000 0.978 286 V HN 0.390 nan 8.190 nan 0.000 0.437 287 P HA -0.113 nan 4.420 nan 0.000 0.222 287 P C 1.169 178.489 177.300 0.033 0.000 1.153 287 P CA 1.313 64.424 63.100 0.019 0.000 0.798 287 P CB 0.483 32.181 31.700 -0.004 0.000 0.796 288 E N -0.938 119.282 120.200 0.032 0.000 2.442 288 E HA -0.013 3.996 4.350 -0.569 0.000 0.195 288 E C 1.651 178.275 176.600 0.040 0.000 1.030 288 E CA -0.007 56.411 56.400 0.029 0.000 0.869 288 E CB -0.118 29.596 29.700 0.023 0.000 0.857 288 E HN 0.032 nan 8.360 nan 0.000 0.505 289 L N -0.385 120.880 121.223 0.071 0.000 2.286 289 L HA 0.121 4.120 4.340 -0.569 0.000 0.203 289 L C 2.060 179.008 176.870 0.130 0.000 1.068 289 L CA 1.259 56.150 54.840 0.086 0.000 0.811 289 L CB 0.101 42.249 42.059 0.148 0.000 0.989 289 L HN -0.032 nan 8.230 nan 0.000 0.467 290 T N -0.781 113.899 114.554 0.209 0.000 3.118 290 T HA -0.088 3.921 4.350 -0.569 0.000 0.260 290 T C 1.531 176.329 174.700 0.164 0.000 1.139 290 T CA 0.673 62.934 62.100 0.268 0.000 1.085 290 T CB 0.157 69.196 68.868 0.285 0.000 0.934 290 T HN 0.361 nan 8.240 nan 0.000 0.518 291 Q N 0.631 120.482 119.800 0.086 0.000 1.969 291 Q HA -0.070 3.929 4.340 -0.569 0.000 0.198 291 Q C 2.239 178.258 176.000 0.031 0.000 0.978 291 Q CA 1.001 56.830 55.803 0.043 0.000 0.830 291 Q CB 0.012 28.762 28.738 0.020 0.000 0.896 291 Q HN 0.451 nan 8.270 nan 0.000 0.431 292 Q N 0.106 119.909 119.800 0.004 0.000 1.857 292 Q HA -0.249 3.750 4.340 -0.569 0.000 0.237 292 Q C 2.241 178.182 176.000 -0.098 0.000 1.004 292 Q CA 2.083 57.863 55.803 -0.038 0.000 0.881 292 Q CB -0.359 28.354 28.738 -0.041 0.000 0.946 292 Q HN 0.458 nan 8.270 nan 0.000 0.421 293 M N -0.576 118.919 119.600 -0.174 0.000 4.020 293 M HA -0.326 3.813 4.480 -0.569 0.000 0.289 293 M C 1.897 177.731 176.300 -0.777 0.000 0.774 293 M CA 2.140 57.147 55.300 -0.489 0.000 0.934 293 M CB -1.179 31.166 32.600 -0.426 0.000 1.503 293 M HN 0.225 nan 8.290 nan 0.000 0.624 294 F N 0.385 119.995 119.950 -0.567 0.000 2.771 294 F HA 0.022 4.216 4.527 -0.555 0.000 0.299 294 F C 1.182 176.822 175.800 -0.266 0.000 1.177 294 F CA 0.073 57.800 58.000 -0.457 0.000 1.450 294 F CB -0.767 38.096 39.000 -0.229 0.000 1.114 294 F HN 0.224 nan 8.300 nan 0.000 0.587 295 D N 0.880 121.235 120.400 -0.075 0.000 2.455 295 D HA 0.027 4.326 4.640 -0.569 0.000 0.241 295 D C 1.322 177.576 176.300 -0.077 0.000 1.138 295 D CA 0.334 54.300 54.000 -0.057 0.000 0.877 295 D CB 1.372 42.141 40.800 -0.052 0.000 1.187 295 D HN 0.208 nan 8.370 nan 0.000 0.451 296 A N 4.135 126.917 122.820 -0.063 0.000 2.272 296 A HA -0.131 3.848 4.320 -0.569 0.000 0.213 296 A C 0.752 178.307 177.584 -0.049 0.000 1.183 296 A CA 1.124 53.123 52.037 -0.063 0.000 0.719 296 A CB -0.188 18.782 19.000 -0.050 0.000 0.771 296 A HN 0.570 nan 8.150 nan 0.000 0.484 297 K N -2.860 117.512 120.400 -0.046 0.000 2.250 297 K HA 0.321 4.300 4.320 -0.569 0.000 0.261 297 K C 0.174 176.751 176.600 -0.038 0.000 1.047 297 K CA -0.359 55.909 56.287 -0.032 0.000 0.884 297 K CB 0.144 32.635 32.500 -0.014 0.000 1.476 297 K HN 0.058 nan 8.250 nan 0.000 0.445 298 N N -0.691 118.000 118.700 -0.016 0.000 2.900 298 N HA -0.130 4.269 4.740 -0.569 0.000 0.240 298 N C -0.877 174.628 175.510 -0.008 0.000 0.953 298 N CA 0.639 53.683 53.050 -0.009 0.000 0.950 298 N CB -0.379 38.093 38.487 -0.025 0.000 1.102 298 N HN 0.441 nan 8.380 nan 0.000 0.593 299 M N 0.966 120.557 119.600 -0.015 0.000 2.188 299 M HA 0.162 4.301 4.480 -0.569 0.000 0.357 299 M C 1.474 177.792 176.300 0.031 0.000 1.204 299 M CA -0.184 55.124 55.300 0.012 0.000 1.095 299 M CB 1.018 33.618 32.600 0.001 0.000 1.604 299 M HN 0.038 nan 8.290 nan 0.000 0.464 300 M N 2.179 121.820 119.600 0.069 0.000 2.149 300 M HA -0.050 4.089 4.480 -0.569 0.000 0.261 300 M C 0.809 177.119 176.300 0.016 0.000 1.064 300 M CA 1.156 56.489 55.300 0.054 0.000 1.102 300 M CB -0.549 32.114 32.600 0.105 0.000 1.369 300 M HN 0.736 nan 8.290 nan 0.000 0.408 301 A N -0.663 122.161 122.820 0.007 0.000 2.301 301 A HA 0.649 4.628 4.320 -0.569 0.000 0.298 301 A C 1.256 178.799 177.584 -0.068 0.000 1.185 301 A CA 0.032 52.039 52.037 -0.048 0.000 0.830 301 A CB 0.198 19.146 19.000 -0.087 0.000 1.112 301 A HN 0.443 nan 8.150 nan 0.000 0.508 302 A N 1.612 124.385 122.820 -0.079 0.000 2.194 302 A HA -0.023 3.956 4.320 -0.569 0.000 0.220 302 A C 1.153 178.666 177.584 -0.118 0.000 1.162 302 A CA 0.915 52.903 52.037 -0.082 0.000 0.674 302 A CB -1.212 17.744 19.000 -0.073 0.000 0.789 302 A HN 0.834 nan 8.150 nan 0.000 0.470 303 C N 0.430 119.645 119.300 -0.141 0.000 2.703 303 C HA 0.233 4.352 4.460 -0.569 0.000 0.411 303 C C 0.298 175.196 174.990 -0.153 0.000 1.290 303 C CA -0.447 58.468 59.018 -0.172 0.000 2.054 303 C CB -0.453 27.169 27.740 -0.195 0.000 2.732 303 C HN 0.552 nan 8.230 nan 0.000 0.650 304 D N 2.359 122.649 120.400 -0.184 0.000 2.317 304 D HA 0.267 4.565 4.640 -0.569 0.000 0.234 304 D C -1.722 174.538 176.300 -0.067 0.000 1.112 304 D CA -0.840 53.083 54.000 -0.129 0.000 0.840 304 D CB 1.096 41.780 40.800 -0.194 0.000 1.078 304 D HN 0.311 nan 8.370 nan 0.000 0.486 305 P HA -0.155 nan 4.420 nan 0.000 0.218 305 P C 1.020 178.203 177.300 -0.194 0.000 1.148 305 P CA 0.774 63.768 63.100 -0.177 0.000 0.822 305 P CB 0.277 31.939 31.700 -0.065 0.000 0.784 306 R N -1.484 118.942 120.500 -0.123 0.000 2.340 306 R HA -0.042 3.957 4.340 -0.569 0.000 0.215 306 R C 0.617 177.114 176.300 0.329 0.000 1.017 306 R CA 0.434 56.498 56.100 -0.060 0.000 1.111 306 R CB -0.456 29.818 30.300 -0.042 0.000 1.049 306 R HN 0.271 nan 8.270 nan 0.000 0.490 307 H N -1.946 117.158 119.070 0.057 0.000 2.893 307 H HA 0.352 4.566 4.556 -0.569 0.000 0.270 307 H C 0.012 175.357 175.328 0.029 0.000 1.095 307 H CA 0.495 56.571 56.048 0.047 0.000 1.186 307 H CB 1.538 31.290 29.762 -0.016 0.000 1.562 307 H HN 0.281 nan 8.280 nan 0.000 0.536 308 G N -0.563 108.304 108.800 0.113 0.000 2.632 308 G HA2 0.310 3.929 3.960 -0.569 0.000 0.292 308 G HA3 0.310 3.929 3.960 -0.569 0.000 0.292 308 G C -0.767 174.139 174.900 0.009 0.000 1.465 308 G CA -1.025 44.096 45.100 0.036 0.000 0.824 308 G HN -0.086 nan 8.290 nan 0.000 0.509 309 R N -0.934 119.585 120.500 0.032 0.000 2.995 309 R HA 0.184 4.183 4.340 -0.569 0.000 0.287 309 R C -0.981 175.251 176.300 -0.112 0.000 1.168 309 R CA 0.139 56.267 56.100 0.047 0.000 1.183 309 R CB 0.068 30.450 30.300 0.137 0.000 1.157 309 R HN 0.559 nan 8.270 nan 0.000 0.577 310 Y N -0.133 120.181 120.300 0.025 0.000 2.361 310 Y HA 0.179 4.381 4.550 -0.579 0.000 0.337 310 Y C 1.254 177.174 175.900 0.033 0.000 0.965 310 Y CA -0.563 57.509 58.100 -0.047 0.000 1.091 310 Y CB 1.417 39.624 38.460 -0.422 0.000 1.182 310 Y HN 0.288 nan 8.280 nan 0.000 0.450 311 L N 1.412 122.783 121.223 0.247 0.000 2.056 311 L HA 0.064 4.062 4.340 -0.569 0.000 0.202 311 L C 0.720 177.632 176.870 0.069 0.000 1.086 311 L CA 1.011 55.906 54.840 0.090 0.000 0.758 311 L CB -0.185 41.997 42.059 0.204 0.000 0.912 311 L HN 0.640 nan 8.230 nan 0.000 0.446 312 T N -1.994 112.633 114.554 0.123 0.000 3.135 312 T HA 0.482 4.491 4.350 -0.569 0.000 0.357 312 T C -0.504 174.190 174.700 -0.010 0.000 1.112 312 T CA -0.574 61.559 62.100 0.056 0.000 1.290 312 T CB 0.492 69.348 68.868 -0.020 0.000 1.018 312 T HN -0.165 nan 8.240 nan 0.000 0.527 313 V N 2.007 121.964 119.914 0.071 0.000 3.139 313 V HA 0.599 4.378 4.120 -0.569 0.000 0.307 313 V C 0.981 176.935 176.094 -0.233 0.000 1.095 313 V CA 0.287 62.471 62.300 -0.192 0.000 1.160 313 V CB 1.078 32.906 31.823 0.009 0.000 1.003 313 V HN 1.171 nan 8.190 nan 0.000 0.489 314 A N 3.295 125.834 122.820 -0.467 0.000 3.422 314 A HA 0.702 4.680 4.320 -0.569 0.000 0.271 314 A C 0.096 177.473 177.584 -0.344 0.000 1.104 314 A CA 0.117 51.964 52.037 -0.317 0.000 0.899 314 A CB 0.170 18.982 19.000 -0.313 0.000 1.309 314 A HN 1.255 nan 8.150 nan 0.000 0.580 315 A N 0.668 123.336 122.820 -0.253 0.000 2.491 315 A HA 0.500 4.479 4.320 -0.569 0.000 0.261 315 A C 0.129 177.512 177.584 -0.335 0.000 1.101 315 A CA 0.230 52.107 52.037 -0.266 0.000 0.772 315 A CB -0.060 18.831 19.000 -0.182 0.000 1.043 315 A HN 0.997 nan 8.150 nan 0.000 0.501 316 V N 4.800 124.534 119.914 -0.300 0.000 2.348 316 V HA 0.289 4.068 4.120 -0.569 0.000 0.270 316 V C -0.233 175.722 176.094 -0.232 0.000 1.037 316 V CA 0.008 62.208 62.300 -0.166 0.000 0.872 316 V CB -0.147 31.647 31.823 -0.047 0.000 1.002 316 V HN 0.696 nan 8.190 nan 0.000 0.464 317 F N 4.603 124.570 119.950 0.027 0.000 2.380 317 F HA 0.756 4.947 4.527 -0.559 0.000 0.321 317 F C 0.769 176.584 175.800 0.025 0.000 1.103 317 F CA -0.630 57.378 58.000 0.013 0.000 1.067 317 F CB 1.234 40.242 39.000 0.015 0.000 1.265 317 F HN 0.481 nan 8.300 nan 0.000 0.517 318 R N 0.573 121.207 120.500 0.224 0.000 2.879 318 R HA 0.561 4.560 4.340 -0.569 0.000 0.291 318 R C -1.086 175.272 176.300 0.096 0.000 1.246 318 R CA -1.013 55.172 56.100 0.141 0.000 1.083 318 R CB 0.912 31.292 30.300 0.133 0.000 1.274 318 R HN 0.998 nan 8.270 nan 0.000 0.393 319 G N 3.016 111.855 108.800 0.064 0.000 2.409 319 G HA2 -0.014 3.605 3.960 -0.569 0.000 0.231 319 G HA3 -0.014 3.605 3.960 -0.569 0.000 0.231 319 G C -0.552 174.358 174.900 0.015 0.000 3.185 319 G CA -1.198 43.921 45.100 0.032 0.000 0.941 319 G HN 0.494 nan 8.290 nan 0.000 0.556 320 R N 0.297 120.799 120.500 0.003 0.000 3.753 320 R HA -0.149 3.850 4.340 -0.569 0.000 0.108 320 R C 0.759 177.047 176.300 -0.020 0.000 0.844 320 R CA 2.025 58.119 56.100 -0.009 0.000 0.820 320 R CB -1.017 29.276 30.300 -0.013 0.000 1.789 320 R HN 1.238 nan 8.270 nan 0.000 0.216 321 M N -1.599 117.980 119.600 -0.036 0.000 2.949 321 M HA 0.307 4.446 4.480 -0.569 0.000 0.270 321 M C -0.603 175.649 176.300 -0.080 0.000 1.221 321 M CA -0.905 54.356 55.300 -0.065 0.000 0.818 321 M CB 1.986 34.526 32.600 -0.099 0.000 1.635 321 M HN 0.183 nan 8.290 nan 0.000 0.492 322 S N 0.896 116.538 115.700 -0.097 0.000 2.499 322 S HA 0.373 4.502 4.470 -0.569 0.000 0.275 322 S C 1.096 175.621 174.600 -0.125 0.000 1.257 322 S CA -0.753 57.392 58.200 -0.092 0.000 1.050 322 S CB 0.636 63.789 63.200 -0.078 0.000 0.937 322 S HN 0.712 nan 8.310 nan 0.000 0.490 323 M N 4.441 123.983 119.600 -0.097 0.000 2.132 323 M HA -0.010 4.129 4.480 -0.569 0.000 0.263 323 M C 1.946 178.187 176.300 -0.099 0.000 1.065 323 M CA 1.343 56.583 55.300 -0.099 0.000 1.122 323 M CB -2.051 30.513 32.600 -0.059 0.000 1.365 323 M HN 0.610 nan 8.290 nan 0.000 0.411 324 K N 1.806 122.160 120.400 -0.077 0.000 2.127 324 K HA -0.210 3.769 4.320 -0.569 0.000 0.208 324 K C 1.767 178.319 176.600 -0.080 0.000 1.047 324 K CA 2.220 58.467 56.287 -0.067 0.000 0.927 324 K CB -0.353 32.115 32.500 -0.054 0.000 0.716 324 K HN 0.712 nan 8.250 nan 0.000 0.450 325 E N -0.655 119.483 120.200 -0.103 0.000 2.140 325 E HA -0.056 3.953 4.350 -0.569 0.000 0.191 325 E C 2.008 178.518 176.600 -0.150 0.000 0.973 325 E CA 0.848 57.181 56.400 -0.111 0.000 0.829 325 E CB -0.440 29.194 29.700 -0.110 0.000 0.781 325 E HN 0.037 nan 8.360 nan 0.000 0.466 326 V N 3.403 123.183 119.914 -0.223 0.000 2.231 326 V HA -0.322 3.457 4.120 -0.569 0.000 0.250 326 V C 2.085 178.095 176.094 -0.141 0.000 1.058 326 V CA 2.516 64.626 62.300 -0.316 0.000 1.022 326 V CB -0.681 30.906 31.823 -0.394 0.000 0.640 326 V HN 0.277 nan 8.190 nan 0.000 0.445 327 D N -0.449 119.890 120.400 -0.100 0.000 2.103 327 D HA -0.257 4.042 4.640 -0.569 0.000 0.190 327 D C 2.073 178.332 176.300 -0.068 0.000 0.997 327 D CA 1.858 55.820 54.000 -0.063 0.000 0.833 327 D CB -0.422 40.344 40.800 -0.058 0.000 0.961 327 D HN 0.657 nan 8.370 nan 0.000 0.447 328 E N 0.368 120.524 120.200 -0.072 0.000 2.048 328 E HA -0.293 3.716 4.350 -0.569 0.000 0.202 328 E C 2.124 178.683 176.600 -0.068 0.000 1.021 328 E CA 1.533 57.894 56.400 -0.066 0.000 0.825 328 E CB 0.067 29.730 29.700 -0.062 0.000 0.756 328 E HN 0.005 nan 8.360 nan 0.000 0.454 329 Q N -0.525 119.233 119.800 -0.070 0.000 2.096 329 Q HA -0.088 3.911 4.340 -0.569 0.000 0.204 329 Q C 1.956 177.920 176.000 -0.061 0.000 0.982 329 Q CA 1.626 57.395 55.803 -0.056 0.000 0.850 329 Q CB -0.042 28.671 28.738 -0.042 0.000 0.901 329 Q HN 0.388 nan 8.270 nan 0.000 0.422 330 M N -0.679 118.902 119.600 -0.031 0.000 2.562 330 M HA -0.000 4.139 4.480 -0.569 0.000 0.257 330 M C 1.536 177.756 176.300 -0.134 0.000 1.099 330 M CA 0.592 55.868 55.300 -0.039 0.000 1.099 330 M CB -0.375 32.272 32.600 0.079 0.000 1.427 330 M HN 0.230 nan 8.290 nan 0.000 0.489 331 L N 0.763 121.918 121.223 -0.113 0.000 2.189 331 L HA 0.068 4.067 4.340 -0.569 0.000 0.199 331 L C 1.582 178.383 176.870 -0.116 0.000 1.074 331 L CA 1.768 56.535 54.840 -0.122 0.000 0.783 331 L CB -0.703 41.304 42.059 -0.087 0.000 0.955 331 L HN 0.244 nan 8.230 nan 0.000 0.460 332 N N -1.023 117.620 118.700 -0.094 0.000 2.289 332 N HA -0.138 4.261 4.740 -0.569 0.000 0.184 332 N C 1.543 176.999 175.510 -0.089 0.000 1.016 332 N CA 1.127 54.132 53.050 -0.075 0.000 0.872 332 N CB 0.081 38.532 38.487 -0.060 0.000 0.973 332 N HN 0.232 nan 8.380 nan 0.000 0.433 333 V N 0.551 120.373 119.914 -0.153 0.000 2.788 333 V HA -0.118 3.661 4.120 -0.569 0.000 0.251 333 V C 2.181 178.205 176.094 -0.117 0.000 1.068 333 V CA 1.164 63.336 62.300 -0.213 0.000 1.090 333 V CB -0.251 31.261 31.823 -0.519 0.000 0.710 333 V HN 0.290 nan 8.190 nan 0.000 0.467 334 Q N -0.029 119.673 119.800 -0.164 0.000 2.187 334 Q HA -0.097 3.902 4.340 -0.569 0.000 0.199 334 Q C 2.053 178.033 176.000 -0.034 0.000 0.957 334 Q CA 1.195 56.880 55.803 -0.196 0.000 0.857 334 Q CB 0.174 28.660 28.738 -0.421 0.000 0.929 334 Q HN 0.641 nan 8.270 nan 0.000 0.453 335 N N 0.407 119.083 118.700 -0.041 0.000 2.244 335 N HA -0.091 4.308 4.740 -0.569 0.000 0.189 335 N C 1.253 176.782 175.510 0.031 0.000 1.047 335 N CA 0.853 53.901 53.050 -0.003 0.000 0.870 335 N CB -0.310 38.163 38.487 -0.024 0.000 1.041 335 N HN 0.055 nan 8.380 nan 0.000 0.448 336 K N 1.220 121.628 120.400 0.014 0.000 2.520 336 K HA -0.063 3.916 4.320 -0.569 0.000 0.197 336 K C 0.845 177.485 176.600 0.066 0.000 1.044 336 K CA 1.009 57.312 56.287 0.027 0.000 0.938 336 K CB -0.102 32.402 32.500 0.007 0.000 0.767 336 K HN 0.239 nan 8.250 nan 0.000 0.481 337 N N -0.642 118.120 118.700 0.103 0.000 2.167 337 N HA -0.022 4.376 4.740 -0.569 0.000 0.234 337 N C 0.396 176.078 175.510 0.285 0.000 1.312 337 N CA 0.349 53.516 53.050 0.195 0.000 0.861 337 N CB 0.487 39.083 38.487 0.182 0.000 1.217 337 N HN 0.139 nan 8.380 nan 0.000 0.504 338 S N -0.494 115.331 115.700 0.208 0.000 2.481 338 S HA -0.232 3.897 4.470 -0.569 0.000 0.253 338 S C 1.844 176.574 174.600 0.217 0.000 0.998 338 S CA 1.525 59.857 58.200 0.220 0.000 0.972 338 S CB -0.474 62.794 63.200 0.112 0.000 0.751 338 S HN 0.339 nan 8.310 nan 0.000 0.515 339 S N 1.248 117.053 115.700 0.175 0.000 2.365 339 S HA -0.136 3.993 4.470 -0.569 0.000 0.225 339 S C 0.797 175.368 174.600 -0.050 0.000 1.039 339 S CA 1.095 59.286 58.200 -0.015 0.000 1.033 339 S CB -0.508 62.567 63.200 -0.208 0.000 0.887 339 S HN 0.755 nan 8.310 nan 0.000 0.447 340 Y N -0.334 120.035 120.300 0.114 0.000 2.746 340 Y HA 0.459 4.668 4.550 -0.568 0.000 0.312 340 Y C 0.374 176.314 175.900 0.066 0.000 1.117 340 Y CA -0.700 57.439 58.100 0.064 0.000 1.324 340 Y CB -0.602 37.873 38.460 0.025 0.000 1.173 340 Y HN 0.240 nan 8.280 nan 0.000 0.529 341 F N -1.230 118.889 119.950 0.283 0.000 2.683 341 F HA 0.373 4.559 4.527 -0.569 0.000 0.306 341 F C 0.235 176.058 175.800 0.039 0.000 1.102 341 F CA -0.548 57.577 58.000 0.208 0.000 1.244 341 F CB 0.736 39.820 39.000 0.139 0.000 1.029 341 F HN -0.249 nan 8.300 nan 0.000 0.545 342 V N 1.279 121.294 119.914 0.169 0.000 3.656 342 V HA -0.330 3.449 4.120 -0.569 0.000 0.521 342 V C 0.724 176.764 176.094 -0.089 0.000 0.682 342 V CA 0.601 62.876 62.300 -0.041 0.000 2.078 342 V CB -0.294 31.302 31.823 -0.378 0.000 2.490 342 V HN 0.526 nan 8.190 nan 0.000 0.514 343 E N 3.502 123.684 120.200 -0.031 0.000 2.340 343 E HA -0.015 3.994 4.350 -0.569 0.000 0.194 343 E C 1.360 177.996 176.600 0.060 0.000 0.996 343 E CA 0.965 57.384 56.400 0.032 0.000 0.869 343 E CB 0.159 29.924 29.700 0.109 0.000 0.835 343 E HN 0.974 nan 8.360 nan 0.000 0.493 344 W N 0.940 122.319 121.300 0.131 0.000 3.391 344 W HA 0.249 4.564 4.660 -0.575 0.000 0.275 344 W C -0.067 176.512 176.519 0.100 0.000 1.318 344 W CA 0.203 57.621 57.345 0.121 0.000 1.665 344 W CB -0.509 29.049 29.460 0.163 0.000 1.078 344 W HN -0.130 nan 8.180 nan 0.000 0.732 345 I N 3.246 123.723 120.570 -0.155 0.000 2.867 345 I HA 0.105 3.934 4.170 -0.569 0.000 0.282 345 I C -1.260 174.793 176.117 -0.106 0.000 1.437 345 I CA -1.706 59.500 61.300 -0.158 0.000 0.918 345 I CB 1.211 38.991 38.000 -0.367 0.000 1.612 345 I HN -0.430 nan 8.210 nan 0.000 0.592 346 P HA -0.232 nan 4.420 nan 0.000 0.221 346 P C 0.360 177.611 177.300 -0.081 0.000 1.153 346 P CA 1.679 64.755 63.100 -0.040 0.000 0.858 346 P CB 0.126 31.819 31.700 -0.012 0.000 0.783 347 N N -1.319 117.323 118.700 -0.097 0.000 2.725 347 N HA 0.102 4.501 4.740 -0.569 0.000 0.248 347 N C 0.762 176.186 175.510 -0.145 0.000 1.402 347 N CA -0.394 52.575 53.050 -0.134 0.000 0.766 347 N CB 0.208 38.636 38.487 -0.098 0.000 1.223 347 N HN -0.226 nan 8.380 nan 0.000 0.515 348 N N 0.346 118.933 118.700 -0.189 0.000 2.002 348 N HA -0.137 4.261 4.740 -0.569 0.000 0.199 348 N C 0.070 175.524 175.510 -0.093 0.000 1.067 348 N CA 1.145 54.130 53.050 -0.108 0.000 0.870 348 N CB -0.599 37.907 38.487 0.031 0.000 1.073 348 N HN 0.209 nan 8.380 nan 0.000 0.432 349 V N 2.237 122.058 119.914 -0.156 0.000 2.901 349 V HA -0.165 3.614 4.120 -0.569 0.000 0.290 349 V C 1.096 177.166 176.094 -0.040 0.000 1.326 349 V CA 0.998 63.264 62.300 -0.056 0.000 1.395 349 V CB 0.044 31.817 31.823 -0.082 0.000 0.849 349 V HN 0.342 nan 8.190 nan 0.000 0.504 350 K N 4.154 124.540 120.400 -0.024 0.000 2.961 350 K HA 0.228 4.207 4.320 -0.569 0.000 0.187 350 K C 0.175 176.780 176.600 0.008 0.000 1.110 350 K CA -0.299 55.973 56.287 -0.026 0.000 0.968 350 K CB 0.386 32.851 32.500 -0.059 0.000 1.287 350 K HN 0.851 nan 8.250 nan 0.000 0.578 351 T N 1.000 115.591 114.554 0.063 0.000 2.898 351 T HA 0.148 4.157 4.350 -0.569 0.000 0.331 351 T C 0.020 174.790 174.700 0.116 0.000 1.085 351 T CA 0.468 62.657 62.100 0.147 0.000 1.129 351 T CB 0.508 69.481 68.868 0.174 0.000 1.054 351 T HN 0.488 nan 8.240 nan 0.000 0.540 352 A N 1.662 124.588 122.820 0.177 0.000 2.491 352 A HA 0.587 4.566 4.320 -0.569 0.000 0.293 352 A C -0.998 176.713 177.584 0.211 0.000 1.047 352 A CA -0.791 51.325 52.037 0.132 0.000 0.735 352 A CB 1.442 20.485 19.000 0.072 0.000 1.281 352 A HN 0.665 nan 8.150 nan 0.000 0.398 353 V N 1.858 121.871 119.914 0.165 0.000 2.340 353 V HA 0.315 4.094 4.120 -0.569 0.000 0.277 353 V C 0.702 176.870 176.094 0.124 0.000 1.017 353 V CA -0.858 61.546 62.300 0.173 0.000 0.820 353 V CB 0.171 32.056 31.823 0.102 0.000 1.028 353 V HN 1.119 nan 8.190 nan 0.000 0.436 354 C N 3.290 122.674 119.300 0.140 0.000 2.876 354 C HA 0.217 4.336 4.460 -0.569 0.000 0.276 354 C C 1.532 176.577 174.990 0.091 0.000 1.582 354 C CA 0.490 59.589 59.018 0.135 0.000 2.061 354 C CB 0.727 28.577 27.740 0.182 0.000 2.044 354 C HN 0.972 nan 8.230 nan 0.000 0.647 355 D N -0.483 119.953 120.400 0.059 0.000 3.239 355 D HA 0.150 4.448 4.640 -0.569 0.000 0.265 355 D C 0.016 176.290 176.300 -0.043 0.000 1.442 355 D CA 0.166 54.170 54.000 0.006 0.000 1.178 355 D CB -0.475 40.321 40.800 -0.007 0.000 1.198 355 D HN 0.511 nan 8.370 nan 0.000 0.366 356 I N 3.569 124.052 120.570 -0.145 0.000 2.710 356 I HA 0.117 3.946 4.170 -0.569 0.000 0.286 356 I C -2.538 173.505 176.117 -0.124 0.000 1.181 356 I CA -1.023 60.142 61.300 -0.224 0.000 1.430 356 I CB 0.759 38.440 38.000 -0.533 0.000 1.367 356 I HN -0.088 nan 8.210 nan 0.000 0.577 357 P HA 0.554 nan 4.420 nan 0.000 0.321 357 P C -2.933 174.384 177.300 0.029 0.000 1.277 357 P CA -2.260 60.849 63.100 0.015 0.000 0.839 357 P CB 0.608 32.325 31.700 0.029 0.000 1.352 358 P HA 0.093 nan 4.420 nan 0.000 0.265 358 P C 1.261 178.596 177.300 0.058 0.000 1.193 358 P CA 0.177 63.335 63.100 0.097 0.000 0.765 358 P CB 0.239 32.034 31.700 0.158 0.000 0.823 359 R N 3.416 123.943 120.500 0.046 0.000 2.446 359 R HA -0.175 3.824 4.340 -0.569 0.000 0.206 359 R C 1.753 178.074 176.300 0.035 0.000 1.011 359 R CA 2.239 58.359 56.100 0.034 0.000 0.780 359 R CB -1.912 28.412 30.300 0.041 0.000 0.782 359 R HN 0.662 nan 8.270 nan 0.000 0.428 360 G N 1.666 110.491 108.800 0.042 0.000 3.356 360 G HA2 0.223 3.842 3.960 -0.569 0.000 0.239 360 G HA3 0.223 3.842 3.960 -0.569 0.000 0.239 360 G C 0.047 174.975 174.900 0.046 0.000 1.252 360 G CA -0.165 44.958 45.100 0.038 0.000 1.611 360 G HN 0.082 nan 8.290 nan 0.000 0.580 361 L N -0.900 120.354 121.223 0.050 0.000 2.409 361 L HA 0.547 4.546 4.340 -0.569 0.000 0.262 361 L C 0.243 177.141 176.870 0.047 0.000 0.992 361 L CA -0.681 54.196 54.840 0.061 0.000 0.817 361 L CB 2.246 44.364 42.059 0.098 0.000 1.350 361 L HN 0.122 nan 8.230 nan 0.000 0.411 362 K N 2.636 123.063 120.400 0.044 0.000 2.118 362 K HA 0.300 4.279 4.320 -0.569 0.000 0.214 362 K C 0.177 176.799 176.600 0.037 0.000 1.023 362 K CA 0.420 56.726 56.287 0.032 0.000 0.948 362 K CB 0.293 32.809 32.500 0.026 0.000 0.851 362 K HN 0.617 nan 8.250 nan 0.000 0.455 363 M N 0.789 120.414 119.600 0.042 0.000 2.364 363 M HA 0.235 4.374 4.480 -0.569 0.000 0.334 363 M C -0.896 175.428 176.300 0.041 0.000 1.107 363 M CA -0.445 54.885 55.300 0.051 0.000 0.988 363 M CB 2.227 34.857 32.600 0.050 0.000 1.673 363 M HN 0.055 nan 8.290 nan 0.000 0.441 364 S N 1.225 116.944 115.700 0.032 0.000 2.677 364 S HA 0.898 5.027 4.470 -0.569 0.000 0.304 364 S C -1.080 173.427 174.600 -0.155 0.000 1.108 364 S CA -0.754 57.382 58.200 -0.107 0.000 0.944 364 S CB 2.072 65.240 63.200 -0.053 0.000 1.127 364 S HN 0.716 nan 8.310 nan 0.000 0.511 365 A N 2.064 124.602 122.820 -0.470 0.000 3.005 365 A HA 0.525 4.504 4.320 -0.569 0.000 0.308 365 A C -0.155 177.137 177.584 -0.487 0.000 1.173 365 A CA -0.571 51.203 52.037 -0.438 0.000 0.796 365 A CB 0.087 18.890 19.000 -0.327 0.000 1.325 365 A HN 0.561 nan 8.150 nan 0.000 0.467 366 T N 1.416 115.779 114.554 -0.319 0.000 2.900 366 T HA 0.433 4.442 4.350 -0.569 0.000 0.307 366 T C -0.447 174.240 174.700 -0.021 0.000 1.065 366 T CA 0.915 62.974 62.100 -0.067 0.000 1.105 366 T CB 0.261 69.175 68.868 0.077 0.000 0.979 366 T HN 0.491 nan 8.240 nan 0.000 0.544 367 F N 1.574 121.456 119.950 -0.114 0.000 2.611 367 F HA 0.706 4.894 4.527 -0.565 0.000 0.324 367 F C -0.868 174.899 175.800 -0.055 0.000 1.061 367 F CA -1.559 56.334 58.000 -0.178 0.000 0.954 367 F CB 1.377 40.238 39.000 -0.233 0.000 1.301 367 F HN 0.394 nan 8.300 nan 0.000 0.482 368 I N 3.513 123.598 120.570 -0.807 0.000 2.771 368 I HA 0.207 4.036 4.170 -0.569 0.000 0.268 368 I C -0.191 175.439 176.117 -0.811 0.000 1.589 368 I CA -0.433 60.569 61.300 -0.496 0.000 0.838 368 I CB 0.937 38.728 38.000 -0.350 0.000 1.551 368 I HN 0.724 nan 8.210 nan 0.000 0.545 369 G N 1.414 109.774 108.800 -0.734 0.000 2.415 369 G HA2 0.160 3.779 3.960 -0.569 0.000 0.269 369 G HA3 0.160 3.779 3.960 -0.569 0.000 0.269 369 G C -0.119 174.793 174.900 0.021 0.000 1.209 369 G CA -0.273 44.637 45.100 -0.316 0.000 0.835 369 G HN 0.675 nan 8.290 nan 0.000 0.534 370 N N 0.751 119.518 118.700 0.111 0.000 2.806 370 N HA 0.187 4.586 4.740 -0.569 0.000 0.315 370 N C 0.460 176.126 175.510 0.260 0.000 1.738 370 N CA -0.521 52.673 53.050 0.239 0.000 0.993 370 N CB 0.161 38.777 38.487 0.214 0.000 1.324 370 N HN 0.471 nan 8.380 nan 0.000 0.493 371 S N -0.510 115.276 115.700 0.143 0.000 2.603 371 S HA 0.047 4.176 4.470 -0.569 0.000 0.268 371 S C 1.380 175.933 174.600 -0.078 0.000 1.317 371 S CA -0.576 57.556 58.200 -0.113 0.000 1.012 371 S CB 1.361 64.171 63.200 -0.651 0.000 0.926 371 S HN 0.375 nan 8.310 nan 0.000 0.539 372 T N -2.834 111.698 114.554 -0.037 0.000 3.380 372 T HA 0.339 4.348 4.350 -0.569 0.000 0.250 372 T C 0.978 175.593 174.700 -0.141 0.000 1.082 372 T CA 0.006 62.111 62.100 0.009 0.000 0.968 372 T CB -0.603 68.385 68.868 0.199 0.000 1.027 372 T HN 0.756 nan 8.240 nan 0.000 0.575 373 A N 0.531 123.219 122.820 -0.219 0.000 2.267 373 A HA 0.468 4.447 4.320 -0.569 0.000 0.213 373 A C 1.613 179.035 177.584 -0.269 0.000 1.192 373 A CA -0.265 51.658 52.037 -0.189 0.000 0.851 373 A CB -0.316 18.571 19.000 -0.188 0.000 0.881 373 A HN 0.566 nan 8.150 nan 0.000 0.494 374 I N -0.185 120.134 120.570 -0.419 0.000 3.749 374 I HA 0.017 3.846 4.170 -0.569 0.000 0.314 374 I C 1.795 177.549 176.117 -0.604 0.000 1.267 374 I CA 0.494 61.446 61.300 -0.580 0.000 1.169 374 I CB 0.092 37.679 38.000 -0.688 0.000 1.009 374 I HN 0.435 nan 8.210 nan 0.000 0.444 375 Q N 0.208 119.778 119.800 -0.383 0.000 2.356 375 Q HA -0.022 3.977 4.340 -0.569 0.000 0.205 375 Q C 1.061 176.992 176.000 -0.114 0.000 0.901 375 Q CA 0.595 56.291 55.803 -0.178 0.000 0.938 375 Q CB 0.261 28.947 28.738 -0.087 0.000 1.081 375 Q HN 0.508 nan 8.270 nan 0.000 0.517 376 E N 0.609 120.711 120.200 -0.162 0.000 2.285 376 E HA -0.051 3.958 4.350 -0.569 0.000 0.194 376 E C 1.836 178.354 176.600 -0.138 0.000 0.997 376 E CA 0.537 56.865 56.400 -0.119 0.000 0.845 376 E CB 0.369 29.990 29.700 -0.132 0.000 0.782 376 E HN 0.399 nan 8.360 nan 0.000 0.491 377 L N -1.667 119.429 121.223 -0.212 0.000 2.433 377 L HA 0.193 4.192 4.340 -0.569 0.000 0.200 377 L C 1.996 178.813 176.870 -0.089 0.000 1.059 377 L CA 0.397 55.120 54.840 -0.196 0.000 0.835 377 L CB -0.269 41.603 42.059 -0.311 0.000 1.076 377 L HN -0.079 nan 8.230 nan 0.000 0.481 378 F N 0.768 120.596 119.950 -0.203 0.000 2.529 378 F HA -0.176 3.987 4.527 -0.608 0.000 0.297 378 F C 2.316 178.015 175.800 -0.169 0.000 1.114 378 F CA 0.685 58.552 58.000 -0.221 0.000 1.467 378 F CB 0.101 38.952 39.000 -0.249 0.000 1.096 378 F HN 0.198 nan 8.300 nan 0.000 0.586 379 K N 0.198 120.621 120.400 0.038 0.000 2.161 379 K HA -0.060 3.919 4.320 -0.569 0.000 0.205 379 K C 2.104 178.689 176.600 -0.025 0.000 1.035 379 K CA 0.044 56.328 56.287 -0.004 0.000 0.970 379 K CB 0.002 32.496 32.500 -0.010 0.000 0.866 379 K HN -0.104 nan 8.250 nan 0.000 0.461 380 R N 2.021 122.500 120.500 -0.034 0.000 2.196 380 R HA -0.180 3.819 4.340 -0.569 0.000 0.234 380 R C 1.912 178.189 176.300 -0.038 0.000 1.113 380 R CA 2.381 58.456 56.100 -0.040 0.000 0.899 380 R CB -1.013 29.252 30.300 -0.058 0.000 0.863 380 R HN 0.289 nan 8.270 nan 0.000 0.430 381 I N 0.477 121.023 120.570 -0.040 0.000 2.953 381 I HA -0.136 3.693 4.170 -0.569 0.000 0.271 381 I C 2.048 178.113 176.117 -0.086 0.000 1.286 381 I CA 1.609 62.878 61.300 -0.051 0.000 1.449 381 I CB -1.505 36.467 38.000 -0.047 0.000 1.086 381 I HN 0.311 nan 8.210 nan 0.000 0.483 382 S N 1.010 116.655 115.700 -0.091 0.000 2.499 382 S HA -0.084 4.045 4.470 -0.569 0.000 0.225 382 S C 1.846 176.423 174.600 -0.039 0.000 1.050 382 S CA 0.559 58.675 58.200 -0.139 0.000 0.928 382 S CB 0.123 63.227 63.200 -0.160 0.000 0.803 382 S HN 0.447 nan 8.310 nan 0.000 0.506 383 E N 1.547 121.736 120.200 -0.019 0.000 2.208 383 E HA -0.031 3.978 4.350 -0.569 0.000 0.193 383 E C 1.912 178.526 176.600 0.022 0.000 0.988 383 E CA 1.320 57.724 56.400 0.006 0.000 0.828 383 E CB -0.451 29.247 29.700 -0.004 0.000 0.763 383 E HN 0.631 nan 8.360 nan 0.000 0.478 384 Q N -0.988 118.819 119.800 0.012 0.000 2.172 384 Q HA -0.080 3.919 4.340 -0.569 0.000 0.200 384 Q C 1.646 177.645 176.000 -0.002 0.000 0.964 384 Q CA 1.058 56.857 55.803 -0.006 0.000 0.855 384 Q CB -0.184 28.536 28.738 -0.030 0.000 0.918 384 Q HN 0.316 nan 8.270 nan 0.000 0.444 385 F N 1.586 121.432 119.950 -0.175 0.000 2.009 385 F HA -0.276 3.913 4.527 -0.564 0.000 0.293 385 F C 2.826 178.579 175.800 -0.079 0.000 1.156 385 F CA 2.088 59.958 58.000 -0.216 0.000 1.168 385 F CB -0.875 37.994 39.000 -0.218 0.000 0.981 385 F HN 0.141 nan 8.300 nan 0.000 0.475 386 T N -0.474 114.226 114.554 0.243 0.000 2.701 386 T HA -0.376 3.633 4.350 -0.569 0.000 0.265 386 T C 1.909 176.692 174.700 0.138 0.000 1.032 386 T CA 1.761 63.971 62.100 0.184 0.000 1.158 386 T CB -1.434 67.504 68.868 0.117 0.000 0.854 386 T HN 0.399 nan 8.240 nan 0.000 0.463 387 A N 3.742 126.605 122.820 0.072 0.000 1.952 387 A HA -0.014 3.965 4.320 -0.569 0.000 0.206 387 A C 2.544 180.155 177.584 0.044 0.000 1.213 387 A CA 2.377 54.439 52.037 0.041 0.000 0.690 387 A CB -1.171 17.833 19.000 0.007 0.000 0.854 387 A HN 0.813 nan 8.150 nan 0.000 0.485 388 M N -2.192 117.393 119.600 -0.026 0.000 2.773 388 M HA -0.029 4.110 4.480 -0.569 0.000 0.247 388 M C 1.355 177.747 176.300 0.152 0.000 1.047 388 M CA 1.455 56.759 55.300 0.006 0.000 1.065 388 M CB -0.650 31.860 32.600 -0.151 0.000 1.414 388 M HN 0.388 nan 8.290 nan 0.000 0.548 389 F N 1.184 121.109 119.950 -0.042 0.000 2.453 389 F HA 0.235 4.423 4.527 -0.565 0.000 0.284 389 F C 2.244 178.057 175.800 0.021 0.000 1.065 389 F CA 0.429 58.439 58.000 0.017 0.000 1.411 389 F CB 0.013 39.017 39.000 0.006 0.000 1.131 389 F HN 0.039 nan 8.300 nan 0.000 0.582 390 R N 0.904 121.475 120.500 0.119 0.000 2.377 390 R HA -0.009 3.989 4.340 -0.569 0.000 0.207 390 R C 0.677 176.959 176.300 -0.030 0.000 1.075 390 R CA 0.951 57.068 56.100 0.027 0.000 1.035 390 R CB -0.464 29.873 30.300 0.063 0.000 0.857 390 R HN 0.056 nan 8.270 nan 0.000 0.475 391 R N 0.085 120.568 120.500 -0.029 0.000 2.590 391 R HA 0.137 4.136 4.340 -0.569 0.000 0.410 391 R C -0.290 175.981 176.300 -0.048 0.000 1.010 391 R CA -0.352 55.733 56.100 -0.025 0.000 1.155 391 R CB 0.534 30.850 30.300 0.027 0.000 1.455 391 R HN -0.019 nan 8.270 nan 0.000 0.567 392 K N 0.694 121.002 120.400 -0.154 0.000 3.034 392 K HA -0.264 3.715 4.320 -0.569 0.000 0.255 392 K C 0.925 177.525 176.600 0.000 0.000 0.903 392 K CA 0.907 57.059 56.287 -0.226 0.000 0.667 392 K CB -2.084 30.234 32.500 -0.303 0.000 1.335 392 K HN 0.409 nan 8.250 nan 0.000 0.479 393 A N 0.794 123.723 122.820 0.181 0.000 3.151 393 A HA -0.157 3.822 4.320 -0.569 0.000 0.248 393 A C 1.184 179.025 177.584 0.428 0.000 0.671 393 A CA 1.663 53.916 52.037 0.360 0.000 1.290 393 A CB -0.776 18.577 19.000 0.587 0.000 0.756 393 A HN 0.268 nan 8.150 nan 0.000 0.488 394 F N 0.332 120.510 119.950 0.380 0.000 2.729 394 F HA 0.003 4.191 4.527 -0.565 0.000 0.299 394 F C 1.736 177.669 175.800 0.221 0.000 1.292 394 F CA -0.314 57.936 58.000 0.417 0.000 1.450 394 F CB -0.889 38.488 39.000 0.627 0.000 1.109 394 F HN 0.222 nan 8.300 nan 0.000 0.561 395 L N 1.100 122.406 121.223 0.139 0.000 2.129 395 L HA -0.244 3.755 4.340 -0.569 0.000 0.212 395 L C 2.708 179.555 176.870 -0.037 0.000 1.087 395 L CA 2.033 56.767 54.840 -0.176 0.000 0.757 395 L CB -0.972 40.893 42.059 -0.323 0.000 0.896 395 L HN 0.445 nan 8.230 nan 0.000 0.434 396 H N -3.868 115.104 119.070 -0.163 0.000 2.563 396 H HA -0.148 4.068 4.556 -0.567 0.000 0.272 396 H C 1.524 176.622 175.328 -0.383 0.000 1.005 396 H CA 0.359 56.222 56.048 -0.310 0.000 1.171 396 H CB -0.736 28.750 29.762 -0.461 0.000 1.351 396 H HN 0.423 nan 8.280 nan 0.000 0.602 397 W N -0.138 121.050 121.300 -0.186 0.000 2.942 397 W HA 0.129 4.447 4.660 -0.569 0.000 0.263 397 W C 1.139 177.595 176.519 -0.106 0.000 1.296 397 W CA -0.389 56.838 57.345 -0.196 0.000 1.504 397 W CB 0.177 29.507 29.460 -0.217 0.000 1.096 397 W HN 0.071 nan 8.180 nan 0.000 0.639 398 Y N -0.342 120.059 120.300 0.169 0.000 2.222 398 Y HA -0.064 4.144 4.550 -0.571 0.000 0.290 398 Y C 2.549 178.532 175.900 0.139 0.000 1.123 398 Y CA 1.515 59.760 58.100 0.241 0.000 1.120 398 Y CB -1.209 37.428 38.460 0.294 0.000 1.060 398 Y HN -0.334 nan 8.280 nan 0.000 0.508 399 T N -0.060 114.606 114.554 0.186 0.000 2.505 399 T HA -0.291 3.718 4.350 -0.569 0.000 0.259 399 T C 2.265 176.999 174.700 0.056 0.000 1.158 399 T CA 2.245 64.384 62.100 0.064 0.000 1.190 399 T CB -1.249 67.602 68.868 -0.029 0.000 0.864 399 T HN 0.642 nan 8.240 nan 0.000 0.413 400 G N 1.632 110.444 108.800 0.020 0.000 2.681 400 G HA2 -0.264 3.355 3.960 -0.569 0.000 0.224 400 G HA3 -0.264 3.355 3.960 -0.569 0.000 0.224 400 G C 1.047 175.980 174.900 0.055 0.000 1.100 400 G CA 0.999 46.107 45.100 0.014 0.000 0.743 400 G HN 0.478 nan 8.290 nan 0.000 0.612 401 E N 0.896 121.156 120.200 0.101 0.000 2.311 401 E HA 0.295 4.304 4.350 -0.569 0.000 0.198 401 E C 1.137 177.795 176.600 0.097 0.000 1.115 401 E CA 0.223 56.695 56.400 0.120 0.000 1.140 401 E CB -0.604 29.198 29.700 0.171 0.000 1.204 401 E HN 0.452 nan 8.360 nan 0.000 0.446 402 G N 1.658 110.480 108.800 0.038 0.000 2.434 402 G HA2 -0.263 3.356 3.960 -0.569 0.000 0.224 402 G HA3 -0.263 3.356 3.960 -0.569 0.000 0.224 402 G C -0.225 174.607 174.900 -0.113 0.000 0.807 402 G CA 0.894 45.969 45.100 -0.042 0.000 1.113 402 G HN 0.316 nan 8.290 nan 0.000 0.327 403 M N 0.944 120.526 119.600 -0.030 0.000 3.767 403 M HA 0.546 4.685 4.480 -0.569 0.000 0.327 403 M C -1.470 174.873 176.300 0.072 0.000 1.529 403 M CA -0.833 54.490 55.300 0.038 0.000 0.871 403 M CB 1.451 34.252 32.600 0.335 0.000 2.008 403 M HN 0.405 nan 8.290 nan 0.000 0.485 404 D N -0.071 120.427 120.400 0.163 0.000 2.559 404 D HA 0.288 4.587 4.640 -0.569 0.000 0.250 404 D C -0.849 175.511 176.300 0.100 0.000 1.135 404 D CA -0.438 53.626 54.000 0.107 0.000 0.955 404 D CB 1.642 42.516 40.800 0.123 0.000 1.442 404 D HN 0.595 nan 8.370 nan 0.000 0.471 405 E N -0.177 120.058 120.200 0.058 0.000 2.474 405 E HA -0.016 3.993 4.350 -0.569 0.000 0.194 405 E C 1.194 177.929 176.600 0.225 0.000 1.041 405 E CA 0.242 56.694 56.400 0.086 0.000 0.874 405 E CB 0.332 30.031 29.700 -0.002 0.000 0.914 405 E HN 0.205 nan 8.360 nan 0.000 0.498 406 M N 0.784 120.489 119.600 0.176 0.000 2.466 406 M HA 0.010 4.149 4.480 -0.569 0.000 0.265 406 M C 1.825 178.220 176.300 0.158 0.000 1.122 406 M CA 1.341 56.734 55.300 0.155 0.000 1.157 406 M CB 0.282 32.946 32.600 0.108 0.000 1.352 406 M HN -0.167 nan 8.290 nan 0.000 0.464 407 E N -0.086 120.241 120.200 0.212 0.000 2.153 407 E HA -0.144 3.865 4.350 -0.569 0.000 0.194 407 E C 1.475 178.122 176.600 0.079 0.000 0.988 407 E CA 1.592 58.099 56.400 0.179 0.000 0.811 407 E CB -0.509 29.381 29.700 0.318 0.000 0.746 407 E HN 0.520 nan 8.360 nan 0.000 0.466 408 F N 0.007 119.923 119.950 -0.057 0.000 2.456 408 F HA -0.002 4.188 4.527 -0.562 0.000 0.298 408 F C 2.244 177.896 175.800 -0.248 0.000 1.104 408 F CA 1.318 59.228 58.000 -0.151 0.000 1.435 408 F CB -0.466 38.448 39.000 -0.144 0.000 1.078 408 F HN 0.024 nan 8.300 nan 0.000 0.546 409 T N -1.037 113.543 114.554 0.044 0.000 2.809 409 T HA -0.145 3.864 4.350 -0.569 0.000 0.260 409 T C 1.824 176.454 174.700 -0.116 0.000 1.039 409 T CA 1.177 63.265 62.100 -0.020 0.000 1.141 409 T CB -0.174 68.741 68.868 0.077 0.000 0.869 409 T HN 0.266 nan 8.240 nan 0.000 0.437 410 E N 1.183 121.311 120.200 -0.119 0.000 1.995 410 E HA -0.209 3.800 4.350 -0.569 0.000 0.207 410 E C 2.505 178.830 176.600 -0.459 0.000 1.016 410 E CA 1.211 57.502 56.400 -0.181 0.000 0.865 410 E CB -0.348 29.291 29.700 -0.101 0.000 0.797 410 E HN 0.340 nan 8.360 nan 0.000 0.491 411 A N 1.142 123.343 122.820 -1.031 0.000 1.923 411 A HA -0.397 3.582 4.320 -0.569 0.000 0.222 411 A C 2.117 179.285 177.584 -0.693 0.000 1.258 411 A CA 2.662 53.820 52.037 -1.465 0.000 0.670 411 A CB -1.177 17.085 19.000 -1.230 0.000 0.834 411 A HN 0.657 nan 8.150 nan 0.000 0.470 412 E N -0.539 119.281 120.200 -0.633 0.000 2.012 412 E HA -0.176 3.833 4.350 -0.569 0.000 0.197 412 E C 2.144 178.539 176.600 -0.341 0.000 1.007 412 E CA 1.622 57.676 56.400 -0.577 0.000 0.816 412 E CB -0.271 29.103 29.700 -0.543 0.000 0.762 412 E HN 0.523 nan 8.360 nan 0.000 0.451 413 S N 0.638 116.196 115.700 -0.236 0.000 2.420 413 S HA -0.218 3.911 4.470 -0.569 0.000 0.237 413 S C 1.648 176.184 174.600 -0.107 0.000 1.023 413 S CA 1.350 59.468 58.200 -0.136 0.000 0.991 413 S CB -0.540 62.609 63.200 -0.085 0.000 0.792 413 S HN 0.384 nan 8.310 nan 0.000 0.488 414 N N 1.598 120.235 118.700 -0.104 0.000 2.062 414 N HA -0.023 4.376 4.740 -0.569 0.000 0.191 414 N C 1.733 177.203 175.510 -0.066 0.000 1.042 414 N CA 1.280 54.327 53.050 -0.005 0.000 0.845 414 N CB -0.331 38.298 38.487 0.236 0.000 1.024 414 N HN 0.211 nan 8.380 nan 0.000 0.424 415 M N 0.272 119.780 119.600 -0.154 0.000 2.630 415 M HA 0.003 4.142 4.480 -0.569 0.000 0.254 415 M C 1.156 177.311 176.300 -0.242 0.000 1.092 415 M CA 1.094 56.239 55.300 -0.258 0.000 1.087 415 M CB -0.944 31.424 32.600 -0.386 0.000 1.453 415 M HN 0.355 nan 8.290 nan 0.000 0.509 416 N N 0.552 119.141 118.700 -0.185 0.000 2.251 416 N HA -0.156 4.243 4.740 -0.569 0.000 0.181 416 N C 0.948 176.417 175.510 -0.067 0.000 1.019 416 N CA 1.376 54.346 53.050 -0.134 0.000 0.862 416 N CB 0.102 38.512 38.487 -0.128 0.000 0.992 416 N HN 0.517 nan 8.380 nan 0.000 0.429 417 D N 0.649 121.017 120.400 -0.052 0.000 2.264 417 D HA -0.162 4.137 4.640 -0.569 0.000 0.208 417 D C 1.968 178.281 176.300 0.022 0.000 0.966 417 D CA 0.305 54.293 54.000 -0.019 0.000 0.864 417 D CB -0.292 40.494 40.800 -0.024 0.000 0.933 417 D HN 0.155 nan 8.370 nan 0.000 0.499 418 L N 0.299 121.534 121.223 0.020 0.000 2.263 418 L HA -0.102 3.897 4.340 -0.569 0.000 0.216 418 L C 1.888 178.913 176.870 0.259 0.000 1.111 418 L CA 1.213 56.121 54.840 0.115 0.000 0.773 418 L CB -0.116 41.942 42.059 -0.002 0.000 0.906 418 L HN 0.080 nan 8.230 nan 0.000 0.439 419 V N -1.882 118.124 119.914 0.154 0.000 2.725 419 V HA -0.111 3.668 4.120 -0.569 0.000 0.247 419 V C 2.366 178.558 176.094 0.163 0.000 1.058 419 V CA 1.369 63.784 62.300 0.193 0.000 1.080 419 V CB 0.101 31.977 31.823 0.087 0.000 0.713 419 V HN 0.456 nan 8.190 nan 0.000 0.465 420 S N 0.007 115.756 115.700 0.082 0.000 2.343 420 S HA -0.262 3.867 4.470 -0.569 0.000 0.219 420 S C 1.948 176.556 174.600 0.014 0.000 1.033 420 S CA 1.768 59.985 58.200 0.027 0.000 1.014 420 S CB -0.369 62.823 63.200 -0.013 0.000 0.915 420 S HN 0.723 nan 8.310 nan 0.000 0.435 421 E N -0.375 119.837 120.200 0.020 0.000 2.396 421 E HA -0.171 3.838 4.350 -0.569 0.000 0.200 421 E C 1.248 177.894 176.600 0.076 0.000 1.023 421 E CA 0.779 57.163 56.400 -0.025 0.000 0.857 421 E CB -0.095 29.615 29.700 0.017 0.000 0.775 421 E HN 0.682 nan 8.360 nan 0.000 0.525 422 Y N -0.612 119.772 120.300 0.140 0.000 2.490 422 Y HA -0.018 4.181 4.550 -0.586 0.000 0.285 422 Y C 2.250 178.223 175.900 0.121 0.000 1.117 422 Y CA 0.642 58.852 58.100 0.183 0.000 1.262 422 Y CB 0.514 39.050 38.460 0.128 0.000 1.043 422 Y HN 0.086 nan 8.280 nan 0.000 0.553 423 Q N -0.152 119.755 119.800 0.178 0.000 2.389 423 Q HA -0.064 3.935 4.340 -0.569 0.000 0.204 423 Q C 1.298 177.270 176.000 -0.047 0.000 0.944 423 Q CA 0.658 56.507 55.803 0.077 0.000 0.908 423 Q CB 0.212 28.969 28.738 0.032 0.000 1.002 423 Q HN 0.209 nan 8.270 nan 0.000 0.493 424 Q N -0.817 118.845 119.800 -0.231 0.000 2.387 424 Q HA -0.034 3.965 4.340 -0.569 0.000 0.211 424 Q C -0.125 175.277 176.000 -0.997 0.000 0.952 424 Q CA 0.635 56.061 55.803 -0.629 0.000 0.957 424 Q CB 0.308 28.508 28.738 -0.897 0.000 1.002 424 Q HN 0.603 nan 8.270 nan 0.000 0.502 425 Y N -2.443 117.917 120.300 0.101 0.000 2.580 425 Y HA 0.066 4.276 4.550 -0.568 0.000 0.290 425 Y C 1.800 177.919 175.900 0.366 0.000 0.981 425 Y CA -0.309 57.967 58.100 0.294 0.000 1.120 425 Y CB 0.449 39.202 38.460 0.487 0.000 1.415 425 Y HN 0.062 nan 8.280 nan 0.000 0.588 426 Q N 1.048 121.053 119.800 0.341 0.000 2.482 426 Q HA -0.019 3.980 4.340 -0.569 0.000 0.209 426 Q C -0.204 175.893 176.000 0.162 0.000 0.961 426 Q CA 0.783 56.726 55.803 0.234 0.000 0.945 426 Q CB 0.518 29.352 28.738 0.160 0.000 1.012 426 Q HN 0.312 nan 8.270 nan 0.000 0.515 427 D N 0.000 120.496 120.400 0.159 0.000 6.856 427 D HA 0.000 4.299 4.640 -0.569 0.000 0.175 427 D CA 0.000 54.058 54.000 0.097 0.000 0.868 427 D CB 0.000 40.819 40.800 0.032 0.000 0.688 427 D HN 0.000 nan 8.370 nan 0.000 0.683