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 3a4y_1_D DATA FIRST_RESID 1 DATA SEQUENCE MRIVPFGAAR EVTGSAHLLL AGGRRVLLDC GMFQGKEEAR NHAPFGFDPK DATA SEQUENCE EVDAVLLTHA ALDHVGRLPK LFREGYRGPV YATRATVLLM EIVLEDALKV DATA SEQUENCE MDEPFFGPED VEEALGHLRP LEYGEWLRLG ALSLAFGQAG HLPGSAFVVA DATA SEQUENCE QGEGRTLVYS GDLGNREKDV LPDPSLPPLA DLVLAEGTYG DRPHRPYRET DATA SEQUENCE VREFLEILEK TLSQGGKVLI PTFAVERAQE ILYVLYTHGH RLPRAPIYLD DATA SEQUENCE SPMAGRVLSL YPRLVRYFSE EVQAHFLQGK NPFRPAGLEV VEHTEASKAL DATA SEQUENCE NRAPGPMVVL AGSGMLAGGR ILHHLKHGLS DPRNALVFVG YQPQGGLGAE DATA SEQUENCE IIARPPAVRI LGEEVPLRAS VHTLGGFSGH AGQDELLDWL QGEPRVVLVH DATA SEQUENCE GEEEKLLALG KLLALRGQEV SLARFGEGVP V VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 1 M HA 0.000 nan 4.480 nan 0.000 0.227 1 M C 0.000 176.291 176.300 -0.015 0.000 1.140 1 M CA 0.000 55.294 55.300 -0.009 0.000 0.988 1 M CB 0.000 32.599 32.600 -0.003 0.000 1.302 2 R N 3.135 123.621 120.500 -0.022 0.000 2.673 2 R HA 0.765 5.103 4.340 -0.002 0.000 0.281 2 R C -1.627 174.646 176.300 -0.045 0.000 0.991 2 R CA -0.945 55.135 56.100 -0.032 0.000 0.896 2 R CB 2.783 33.064 30.300 -0.031 0.000 1.201 2 R HN 0.614 nan 8.270 nan 0.000 0.457 3 I N 2.228 122.761 120.570 -0.061 0.000 2.406 3 I HA 0.339 4.507 4.170 -0.002 0.000 0.290 3 I C -1.225 174.822 176.117 -0.117 0.000 0.999 3 I CA -0.681 60.569 61.300 -0.082 0.000 1.124 3 I CB 1.965 39.911 38.000 -0.089 0.000 1.289 3 I HN 0.341 nan 8.210 nan 0.000 0.441 4 V N 9.527 129.368 119.914 -0.122 0.000 2.378 4 V HA 0.490 4.608 4.120 -0.002 0.000 0.288 4 V C -2.333 173.557 176.094 -0.339 0.000 1.016 4 V CA -1.717 60.441 62.300 -0.237 0.000 0.840 4 V CB 1.286 32.989 31.823 -0.200 0.000 0.994 4 V HN 0.642 nan 8.190 nan 0.000 0.431 5 P HA 0.288 nan 4.420 nan 0.000 0.271 5 P C -0.546 176.304 177.300 -0.751 0.000 1.220 5 P CA 0.136 63.075 63.100 -0.268 0.000 0.768 5 P CB 0.233 31.812 31.700 -0.201 0.000 0.848 6 F N 2.514 122.372 119.950 -0.154 0.000 2.810 6 F HA 0.541 5.067 4.527 -0.002 0.000 0.353 6 F C 1.002 176.941 175.800 0.231 0.000 1.227 6 F CA 0.121 57.964 58.000 -0.262 0.000 1.210 6 F CB 0.708 39.763 39.000 0.093 0.000 1.039 6 F HN 0.452 nan 8.300 nan 0.000 0.509 7 G N -1.148 107.873 108.800 0.368 0.000 2.320 7 G HA2 0.479 4.437 3.960 -0.002 0.000 0.297 7 G HA3 0.479 4.437 3.960 -0.002 0.000 0.297 7 G C 0.018 175.119 174.900 0.335 0.000 1.344 7 G CA -0.080 45.285 45.100 0.442 0.000 0.851 7 G HN 0.723 nan 8.290 nan 0.000 0.567 8 A N -2.079 120.908 122.820 0.278 0.000 2.798 8 A HA 0.244 4.563 4.320 -0.002 0.000 0.282 8 A C 1.129 178.838 177.584 0.210 0.000 1.464 8 A CA 2.082 54.246 52.037 0.211 0.000 0.844 8 A CB -1.565 17.589 19.000 0.257 0.000 1.006 8 A HN 2.604 nan 8.150 nan 0.000 0.577 9 A N -1.139 121.818 122.820 0.228 0.000 2.260 9 A HA 0.686 5.005 4.320 -0.002 0.000 0.312 9 A C 1.091 178.743 177.584 0.113 0.000 1.321 9 A CA 0.427 52.558 52.037 0.157 0.000 0.928 9 A CB 0.184 19.297 19.000 0.189 0.000 1.158 9 A HN 1.432 nan 8.150 nan 0.000 0.542 10 R N -0.483 120.058 120.500 0.069 0.000 3.989 10 R HA -0.205 4.134 4.340 -0.002 0.000 0.377 10 R C 0.240 176.556 176.300 0.027 0.000 1.158 10 R CA 2.177 58.300 56.100 0.039 0.000 1.035 10 R CB -2.111 28.210 30.300 0.034 0.000 1.557 10 R HN 1.010 nan 8.270 nan 0.000 0.551 11 E N -2.531 117.691 120.200 0.037 0.000 2.433 11 E HA 0.531 4.880 4.350 -0.002 0.000 0.264 11 E C 0.434 176.996 176.600 -0.063 0.000 0.960 11 E CA -0.418 55.985 56.400 0.005 0.000 0.866 11 E CB 0.702 30.433 29.700 0.052 0.000 1.615 11 E HN -0.007 nan 8.360 nan 0.000 0.442 12 V N -2.663 117.165 119.914 -0.143 0.000 3.379 12 V HA 0.164 4.283 4.120 -0.002 0.000 0.249 12 V C 0.792 176.670 176.094 -0.360 0.000 1.184 12 V CA 1.130 63.175 62.300 -0.425 0.000 1.106 12 V CB 0.100 31.652 31.823 -0.452 0.000 0.826 12 V HN 0.748 nan 8.190 nan 0.000 0.465 13 T N -2.137 112.370 114.554 -0.079 0.000 2.902 13 T HA 0.626 4.974 4.350 -0.002 0.000 0.280 13 T C 1.181 175.848 174.700 -0.055 0.000 0.992 13 T CA 0.415 62.510 62.100 -0.008 0.000 1.015 13 T CB 0.903 69.848 68.868 0.127 0.000 1.044 13 T HN 1.792 nan 8.240 nan 0.000 0.520 14 G N 0.643 109.225 108.800 -0.365 0.000 2.143 14 G HA2 -0.267 3.691 3.960 -0.002 0.000 0.249 14 G HA3 -0.267 3.691 3.960 -0.002 0.000 0.249 14 G C 0.274 174.903 174.900 -0.451 0.000 0.981 14 G CA 0.003 44.589 45.100 -0.857 0.000 0.665 14 G HN 1.099 nan 8.290 nan 0.000 0.528 15 S N 0.318 115.819 115.700 -0.332 0.000 2.810 15 S HA 0.388 4.857 4.470 -0.002 0.000 0.329 15 S C 0.607 174.918 174.600 -0.481 0.000 1.231 15 S CA 1.240 59.204 58.200 -0.394 0.000 1.042 15 S CB 0.565 63.407 63.200 -0.596 0.000 0.756 15 S HN 2.057 nan 8.310 nan 0.000 0.504 16 A N 4.543 126.908 122.820 -0.759 0.000 2.458 16 A HA 0.458 4.777 4.320 -0.002 0.000 0.304 16 A C -1.297 175.929 177.584 -0.597 0.000 1.026 16 A CA -0.798 50.928 52.037 -0.520 0.000 1.021 16 A CB 0.665 19.601 19.000 -0.107 0.000 1.479 16 A HN 0.774 nan 8.150 nan 0.000 0.385 17 H N 2.495 121.442 119.070 -0.205 0.000 2.727 17 H HA 0.447 5.002 4.556 -0.002 0.000 0.330 17 H C -0.942 174.235 175.328 -0.253 0.000 0.986 17 H CA -0.831 55.074 56.048 -0.239 0.000 1.251 17 H CB 1.801 31.327 29.762 -0.394 0.000 1.493 17 H HN 0.544 nan 8.280 nan 0.000 0.515 18 L N 4.499 125.657 121.223 -0.108 0.000 2.315 18 L HA 0.177 4.516 4.340 -0.002 0.000 0.283 18 L C -0.584 176.205 176.870 -0.135 0.000 1.089 18 L CA -0.563 54.136 54.840 -0.235 0.000 0.833 18 L CB 0.203 42.047 42.059 -0.359 0.000 1.170 18 L HN 0.460 nan 8.230 nan 0.000 0.442 19 L N 6.784 127.928 121.223 -0.132 0.000 2.261 19 L HA 0.452 4.791 4.340 -0.002 0.000 0.289 19 L C -1.072 175.754 176.870 -0.074 0.000 1.059 19 L CA 0.098 54.889 54.840 -0.080 0.000 0.816 19 L CB 0.537 42.564 42.059 -0.053 0.000 1.191 19 L HN 0.548 nan 8.230 nan 0.000 0.431 20 L N 6.730 127.920 121.223 -0.055 0.000 2.283 20 L HA 0.866 5.205 4.340 -0.002 0.000 0.281 20 L C -0.047 176.807 176.870 -0.027 0.000 1.033 20 L CA -0.148 54.666 54.840 -0.042 0.000 0.848 20 L CB 0.753 42.793 42.059 -0.032 0.000 1.226 20 L HN 0.831 nan 8.230 nan 0.000 0.429 21 A N 1.498 124.305 122.820 -0.022 0.000 2.608 21 A HA 0.688 5.007 4.320 -0.002 0.000 0.292 21 A C 0.520 178.099 177.584 -0.010 0.000 1.066 21 A CA -0.035 51.995 52.037 -0.013 0.000 0.676 21 A CB 1.252 20.247 19.000 -0.008 0.000 1.277 21 A HN 0.814 nan 8.150 nan 0.000 0.413 22 G N -0.366 108.430 108.800 -0.007 0.000 2.296 22 G HA2 0.186 4.144 3.960 -0.002 0.000 0.282 22 G HA3 0.186 4.144 3.960 -0.002 0.000 0.282 22 G C 1.814 176.711 174.900 -0.005 0.000 1.014 22 G CA 1.599 46.695 45.100 -0.006 0.000 0.812 22 G HN 2.950 nan 8.290 nan 0.000 0.508 23 G N -1.946 106.850 108.800 -0.006 0.000 2.198 23 G HA2 -0.173 3.785 3.960 -0.002 0.000 0.257 23 G HA3 -0.173 3.785 3.960 -0.002 0.000 0.257 23 G C 0.254 175.151 174.900 -0.004 0.000 1.042 23 G CA 1.021 46.119 45.100 -0.004 0.000 0.791 23 G HN 1.025 nan 8.290 nan 0.000 0.502 24 R N -1.093 119.402 120.500 -0.009 0.000 2.774 24 R HA 0.603 4.941 4.340 -0.002 0.000 0.272 24 R C -0.204 176.079 176.300 -0.028 0.000 1.000 24 R CA -0.932 55.161 56.100 -0.011 0.000 0.906 24 R CB 1.289 31.586 30.300 -0.004 0.000 1.227 24 R HN 0.301 nan 8.270 nan 0.000 0.468 25 R N 0.624 121.100 120.500 -0.040 0.000 2.360 25 R HA 0.531 4.870 4.340 -0.002 0.000 0.318 25 R C -0.819 175.419 176.300 -0.104 0.000 0.950 25 R CA -0.651 55.398 56.100 -0.084 0.000 0.837 25 R CB 1.931 32.170 30.300 -0.102 0.000 1.165 25 R HN 0.178 nan 8.270 nan 0.000 0.458 26 V N 4.885 124.727 119.914 -0.120 0.000 2.409 26 V HA 0.241 4.360 4.120 -0.002 0.000 0.290 26 V C -0.004 175.984 176.094 -0.177 0.000 1.017 26 V CA -0.782 61.449 62.300 -0.115 0.000 0.841 26 V CB 1.762 33.551 31.823 -0.057 0.000 1.003 26 V HN 0.647 nan 8.190 nan 0.000 0.426 27 L N 5.449 126.524 121.223 -0.247 0.000 2.367 27 L HA 0.357 4.695 4.340 -0.002 0.000 0.275 27 L C -0.939 175.834 176.870 -0.161 0.000 1.129 27 L CA -0.398 54.257 54.840 -0.307 0.000 0.839 27 L CB 1.255 43.056 42.059 -0.429 0.000 1.133 27 L HN 0.472 nan 8.230 nan 0.000 0.453 28 L N 5.418 126.548 121.223 -0.156 0.000 2.283 28 L HA 0.419 4.757 4.340 -0.002 0.000 0.281 28 L C -0.346 176.485 176.870 -0.064 0.000 1.033 28 L CA 0.035 54.851 54.840 -0.040 0.000 0.848 28 L CB 0.364 42.358 42.059 -0.107 0.000 1.226 28 L HN 0.609 nan 8.230 nan 0.000 0.429 29 D N 1.352 121.784 120.400 0.053 0.000 10.807 29 D HA -0.257 4.381 4.640 -0.002 0.000 0.359 29 D C -0.363 175.882 176.300 -0.091 0.000 3.110 29 D CA 0.452 54.474 54.000 0.036 0.000 2.589 29 D CB -0.200 40.667 40.800 0.111 0.000 1.188 29 D HN 0.660 nan 8.370 nan 0.000 0.949 30 C N 2.083 121.345 119.300 -0.064 0.000 2.996 30 C HA 0.541 5.000 4.460 -0.002 0.000 0.221 30 C C 0.504 175.488 174.990 -0.010 0.000 1.122 30 C CA 0.459 59.450 59.018 -0.044 0.000 1.040 30 C CB -0.658 27.067 27.740 -0.026 0.000 1.804 30 C HN 0.690 nan 8.230 nan 0.000 0.659 31 G N 2.508 111.245 108.800 -0.104 0.000 2.504 31 G HA2 0.607 4.566 3.960 -0.002 0.000 0.288 31 G HA3 0.607 4.566 3.960 -0.002 0.000 0.288 31 G C -0.135 174.666 174.900 -0.165 0.000 1.182 31 G CA -0.551 44.495 45.100 -0.090 0.000 0.894 31 G HN 0.848 nan 8.290 nan 0.000 0.521 32 M N -0.513 119.047 119.600 -0.067 0.000 2.283 32 M HA 0.697 5.175 4.480 -0.002 0.000 0.314 32 M C -1.098 175.076 176.300 -0.209 0.000 1.153 32 M CA -0.443 54.785 55.300 -0.120 0.000 1.084 32 M CB 0.997 33.711 32.600 0.190 0.000 1.468 32 M HN 0.220 nan 8.290 nan 0.000 0.474 33 F N 0.586 120.534 119.950 -0.004 0.000 2.377 33 F HA 0.482 5.008 4.527 -0.002 0.000 0.328 33 F C 0.412 176.234 175.800 0.037 0.000 1.094 33 F CA -0.169 57.833 58.000 0.003 0.000 1.093 33 F CB 1.133 40.113 39.000 -0.034 0.000 1.214 33 F HN 0.590 nan 8.300 nan 0.000 0.518 34 Q N 0.350 120.293 119.800 0.238 0.000 2.544 34 Q HA 0.673 5.012 4.340 -0.002 0.000 0.291 34 Q C 0.054 176.138 176.000 0.141 0.000 1.068 34 Q CA -0.754 55.155 55.803 0.178 0.000 0.785 34 Q CB 2.639 31.475 28.738 0.163 0.000 1.481 34 Q HN 0.912 nan 8.270 nan 0.000 0.430 35 G N 1.141 110.014 108.800 0.122 0.000 2.527 35 G HA2 -0.292 3.667 3.960 -0.002 0.000 0.227 35 G HA3 -0.292 3.667 3.960 -0.002 0.000 0.227 35 G C -0.344 174.597 174.900 0.069 0.000 1.291 35 G CA -0.017 45.139 45.100 0.093 0.000 0.904 35 G HN 0.535 nan 8.290 nan 0.000 0.577 36 K N 1.102 121.528 120.400 0.043 0.000 2.790 36 K HA 0.202 4.521 4.320 -0.002 0.000 0.229 36 K C 0.958 177.553 176.600 -0.007 0.000 1.040 36 K CA 0.741 57.039 56.287 0.019 0.000 1.211 36 K CB -0.160 32.346 32.500 0.009 0.000 1.002 36 K HN 0.428 nan 8.250 nan 0.000 0.479 37 E N -0.873 119.328 120.200 0.001 0.000 2.536 37 E HA -0.093 4.256 4.350 -0.002 0.000 0.220 37 E C 0.860 177.438 176.600 -0.037 0.000 0.876 37 E CA 0.036 56.398 56.400 -0.063 0.000 1.190 37 E CB 0.305 29.957 29.700 -0.080 0.000 1.191 37 E HN 0.379 nan 8.360 nan 0.000 0.557 38 E N 1.647 121.883 120.200 0.060 0.000 2.401 38 E HA -0.227 4.122 4.350 -0.002 0.000 0.204 38 E C 1.606 178.260 176.600 0.090 0.000 1.036 38 E CA 0.952 57.416 56.400 0.106 0.000 0.856 38 E CB 0.026 29.812 29.700 0.143 0.000 0.770 38 E HN 0.226 nan 8.360 nan 0.000 0.527 39 A N 0.496 123.340 122.820 0.040 0.000 2.014 39 A HA -0.070 4.249 4.320 -0.002 0.000 0.218 39 A C 1.954 179.548 177.584 0.016 0.000 1.163 39 A CA 0.790 52.866 52.037 0.066 0.000 0.652 39 A CB -0.143 18.851 19.000 -0.010 0.000 0.808 39 A HN 0.181 nan 8.150 nan 0.000 0.449 40 R N -0.058 120.373 120.500 -0.115 0.000 2.235 40 R HA -0.033 4.306 4.340 -0.002 0.000 0.213 40 R C 1.212 177.437 176.300 -0.125 0.000 1.059 40 R CA 1.144 57.127 56.100 -0.194 0.000 0.997 40 R CB -0.385 29.597 30.300 -0.530 0.000 0.884 40 R HN 0.664 nan 8.270 nan 0.000 0.462 41 N N -0.276 118.304 118.700 -0.200 0.000 2.573 41 N HA -0.107 4.631 4.740 -0.002 0.000 0.187 41 N C 1.043 176.053 175.510 -0.833 0.000 1.107 41 N CA 0.407 53.031 53.050 -0.709 0.000 0.918 41 N CB 0.103 37.757 38.487 -1.388 0.000 0.966 41 N HN 0.334 nan 8.380 nan 0.000 0.448 42 H N -0.247 118.650 119.070 -0.288 0.000 2.553 42 H HA 0.257 4.812 4.556 -0.002 0.000 0.276 42 H C 0.921 176.160 175.328 -0.148 0.000 0.979 42 H CA 0.083 56.047 56.048 -0.140 0.000 1.268 42 H CB 0.295 30.028 29.762 -0.049 0.000 1.450 42 H HN 0.135 nan 8.280 nan 0.000 0.527 43 A N 2.239 125.020 122.820 -0.064 0.000 2.327 43 A HA 0.321 4.640 4.320 -0.002 0.000 0.255 43 A C -1.890 175.593 177.584 -0.168 0.000 1.099 43 A CA -1.051 50.931 52.037 -0.091 0.000 0.801 43 A CB -0.155 18.788 19.000 -0.095 0.000 1.062 43 A HN 0.017 nan 8.150 nan 0.000 0.496 44 P HA 0.053 nan 4.420 nan 0.000 0.270 44 P C 0.172 177.362 177.300 -0.184 0.000 1.221 44 P CA 0.133 63.140 63.100 -0.155 0.000 0.788 44 P CB 0.168 31.833 31.700 -0.060 0.000 0.904 45 F N 0.336 120.122 119.950 -0.273 0.000 2.098 45 F HA 0.119 4.645 4.527 -0.002 0.000 0.294 45 F C 2.133 177.736 175.800 -0.327 0.000 1.107 45 F CA 2.401 60.115 58.000 -0.477 0.000 1.234 45 F CB -0.788 37.463 39.000 -1.248 0.000 1.002 45 F HN 0.548 nan 8.300 nan 0.000 0.472 46 G N -1.470 107.201 108.800 -0.214 0.000 2.425 46 G HA2 -0.100 3.859 3.960 -0.002 0.000 0.177 46 G HA3 -0.100 3.859 3.960 -0.002 0.000 0.177 46 G C -0.067 174.751 174.900 -0.137 0.000 0.999 46 G CA -0.112 45.049 45.100 0.101 0.000 0.723 46 G HN 0.354 nan 8.290 nan 0.000 0.491 47 F N -0.424 119.298 119.950 -0.379 0.000 2.715 47 F HA 0.791 5.317 4.527 -0.002 0.000 0.318 47 F C -1.025 174.657 175.800 -0.196 0.000 1.141 47 F CA -1.828 55.964 58.000 -0.346 0.000 0.950 47 F CB 0.894 39.519 39.000 -0.624 0.000 1.374 47 F HN -0.074 nan 8.300 nan 0.000 0.477 48 D N 2.955 123.374 120.400 0.031 0.000 2.411 48 D HA 0.368 5.006 4.640 -0.002 0.000 0.225 48 D C -1.484 174.819 176.300 0.006 0.000 1.156 48 D CA -2.640 51.349 54.000 -0.017 0.000 0.874 48 D CB 1.139 41.947 40.800 0.012 0.000 1.034 48 D HN 0.242 nan 8.370 nan 0.000 0.502 49 P HA -0.227 nan 4.420 nan 0.000 0.218 49 P C 0.570 177.851 177.300 -0.031 0.000 1.146 49 P CA 1.153 64.176 63.100 -0.128 0.000 0.820 49 P CB 0.252 31.840 31.700 -0.187 0.000 0.778 50 K N -0.610 119.801 120.400 0.019 0.000 2.504 50 K HA -0.037 4.281 4.320 -0.002 0.000 0.195 50 K C 1.649 178.282 176.600 0.055 0.000 1.036 50 K CA 0.547 56.869 56.287 0.058 0.000 0.984 50 K CB 0.001 32.521 32.500 0.034 0.000 0.788 50 K HN 0.114 nan 8.250 nan 0.000 0.488 51 E N 0.474 120.690 120.200 0.027 0.000 2.452 51 E HA 0.029 4.377 4.350 -0.002 0.000 0.197 51 E C 0.169 176.763 176.600 -0.010 0.000 1.022 51 E CA 0.125 56.534 56.400 0.014 0.000 0.890 51 E CB 0.370 30.075 29.700 0.009 0.000 0.918 51 E HN -0.045 nan 8.360 nan 0.000 0.496 52 V N 2.622 122.503 119.914 -0.055 0.000 2.740 52 V HA -0.039 4.080 4.120 -0.002 0.000 0.303 52 V C 1.225 177.344 176.094 0.042 0.000 1.054 52 V CA 0.501 62.715 62.300 -0.143 0.000 1.106 52 V CB 1.004 32.543 31.823 -0.473 0.000 0.957 52 V HN 0.061 nan 8.190 nan 0.000 0.486 53 D N 2.045 122.463 120.400 0.030 0.000 2.388 53 D HA 0.386 5.025 4.640 -0.002 0.000 0.208 53 D C 0.436 176.844 176.300 0.180 0.000 1.035 53 D CA 1.038 55.104 54.000 0.109 0.000 0.875 53 D CB 1.279 42.113 40.800 0.057 0.000 0.984 53 D HN 0.694 nan 8.370 nan 0.000 0.508 54 A N 0.074 122.971 122.820 0.129 0.000 2.608 54 A HA 0.543 4.861 4.320 -0.002 0.000 0.292 54 A C -1.541 176.087 177.584 0.073 0.000 1.066 54 A CA -0.531 51.631 52.037 0.208 0.000 0.676 54 A CB 1.453 20.616 19.000 0.272 0.000 1.277 54 A HN -0.122 nan 8.150 nan 0.000 0.413 55 V N 0.813 120.813 119.914 0.142 0.000 2.656 55 V HA 0.675 4.793 4.120 -0.002 0.000 0.307 55 V C -1.131 175.068 176.094 0.176 0.000 1.051 55 V CA -0.455 61.875 62.300 0.050 0.000 0.893 55 V CB 1.539 33.357 31.823 -0.008 0.000 0.999 55 V HN 0.735 nan 8.190 nan 0.000 0.426 56 L N 5.056 126.370 121.223 0.151 0.000 2.362 56 L HA 0.630 4.968 4.340 -0.002 0.000 0.275 56 L C -0.943 176.088 176.870 0.267 0.000 0.998 56 L CA -0.283 54.711 54.840 0.256 0.000 0.820 56 L CB 1.785 43.952 42.059 0.179 0.000 1.270 56 L HN 0.360 nan 8.230 nan 0.000 0.415 57 L N 2.025 123.424 121.223 0.293 0.000 2.322 57 L HA 0.476 4.814 4.340 -0.002 0.000 0.281 57 L C 1.294 178.212 176.870 0.081 0.000 1.014 57 L CA -0.057 54.878 54.840 0.159 0.000 0.815 57 L CB 1.600 43.703 42.059 0.072 0.000 1.247 57 L HN 0.797 nan 8.230 nan 0.000 0.421 58 T N -1.417 113.159 114.554 0.037 0.000 3.067 58 T HA 0.125 4.474 4.350 -0.002 0.000 0.261 58 T C 0.435 175.057 174.700 -0.130 0.000 1.110 58 T CA 0.737 62.783 62.100 -0.089 0.000 1.113 58 T CB -0.270 68.597 68.868 -0.001 0.000 0.917 58 T HN 0.707 nan 8.240 nan 0.000 0.499 59 H N -2.919 116.044 119.070 -0.178 0.000 2.951 59 H HA 0.536 5.091 4.556 -0.002 0.000 0.292 59 H C 0.586 175.852 175.328 -0.105 0.000 1.412 59 H CA -0.471 55.460 56.048 -0.194 0.000 1.206 59 H CB 1.002 30.643 29.762 -0.202 0.000 1.862 59 H HN -0.028 nan 8.280 nan 0.000 0.502 60 A N 1.097 123.944 122.820 0.046 0.000 2.121 60 A HA 0.319 4.637 4.320 -0.002 0.000 0.218 60 A C 1.443 179.083 177.584 0.093 0.000 1.154 60 A CA 0.864 52.916 52.037 0.026 0.000 0.679 60 A CB -0.923 18.075 19.000 -0.005 0.000 0.795 60 A HN 1.020 nan 8.150 nan 0.000 0.458 61 A N -0.792 122.180 122.820 0.253 0.000 2.632 61 A HA 0.132 4.451 4.320 -0.002 0.000 0.229 61 A C 1.172 178.867 177.584 0.185 0.000 1.047 61 A CA 0.469 52.663 52.037 0.261 0.000 0.754 61 A CB -0.089 19.196 19.000 0.475 0.000 0.969 61 A HN 0.751 nan 8.150 nan 0.000 0.509 62 L N 1.100 122.435 121.223 0.187 0.000 2.191 62 L HA -0.095 4.244 4.340 -0.002 0.000 0.212 62 L C 1.838 178.810 176.870 0.169 0.000 1.103 62 L CA 2.556 57.499 54.840 0.172 0.000 0.769 62 L CB -0.455 41.713 42.059 0.182 0.000 0.908 62 L HN 0.862 nan 8.230 nan 0.000 0.438 63 D N -3.252 117.267 120.400 0.198 0.000 2.370 63 D HA -0.087 4.551 4.640 -0.002 0.000 0.230 63 D C 1.022 177.342 176.300 0.033 0.000 1.143 63 D CA 0.245 54.317 54.000 0.120 0.000 0.834 63 D CB -0.257 40.628 40.800 0.142 0.000 0.944 63 D HN 0.496 nan 8.370 nan 0.000 0.504 64 H N -0.855 118.210 119.070 -0.008 0.000 3.535 64 H HA 0.198 4.752 4.556 -0.002 0.000 0.260 64 H C 0.702 175.986 175.328 -0.074 0.000 1.173 64 H CA 0.208 56.200 56.048 -0.093 0.000 1.168 64 H CB 1.817 31.370 29.762 -0.347 0.000 1.568 64 H HN 0.039 nan 8.280 nan 0.000 0.602 65 V N -1.004 118.955 119.914 0.075 0.000 3.392 65 V HA 0.118 4.237 4.120 -0.002 0.000 0.285 65 V C 2.258 178.397 176.094 0.076 0.000 1.582 65 V CA 0.809 63.143 62.300 0.058 0.000 1.034 65 V CB 0.949 32.796 31.823 0.040 0.000 0.846 65 V HN 0.361 nan 8.190 nan 0.000 0.431 66 G N 1.129 109.999 108.800 0.116 0.000 2.503 66 G HA2 -0.260 3.698 3.960 -0.002 0.000 0.221 66 G HA3 -0.260 3.698 3.960 -0.002 0.000 0.221 66 G C 1.506 176.589 174.900 0.305 0.000 1.131 66 G CA 1.055 46.283 45.100 0.214 0.000 0.756 66 G HN 0.472 nan 8.290 nan 0.000 0.572 67 R N -0.733 119.913 120.500 0.242 0.000 2.334 67 R HA 0.280 4.618 4.340 -0.002 0.000 0.216 67 R C 2.044 178.509 176.300 0.276 0.000 0.905 67 R CA -0.395 55.911 56.100 0.343 0.000 1.064 67 R CB -0.053 30.413 30.300 0.278 0.000 1.046 67 R HN 0.310 nan 8.270 nan 0.000 0.508 68 L N 2.743 124.052 121.223 0.143 0.000 1.990 68 L HA -0.113 4.226 4.340 -0.002 0.000 0.213 68 L C -0.989 176.013 176.870 0.220 0.000 1.072 68 L CA 2.147 57.090 54.840 0.171 0.000 0.755 68 L CB -0.801 41.343 42.059 0.141 0.000 0.889 68 L HN 0.032 nan 8.230 nan 0.000 0.432 69 P HA -0.241 nan 4.420 nan 0.000 0.219 69 P C 1.338 178.656 177.300 0.029 0.000 1.146 69 P CA 1.671 64.635 63.100 -0.227 0.000 0.808 69 P CB -0.125 30.973 31.700 -1.003 0.000 0.779 70 K N -0.299 120.188 120.400 0.145 0.000 2.155 70 K HA -0.079 4.240 4.320 -0.002 0.000 0.203 70 K C 2.146 178.984 176.600 0.398 0.000 1.052 70 K CA 0.421 56.911 56.287 0.338 0.000 0.948 70 K CB -0.528 32.213 32.500 0.401 0.000 0.728 70 K HN -0.052 nan 8.250 nan 0.000 0.448 71 L N 0.603 122.081 121.223 0.424 0.000 2.083 71 L HA -0.089 4.250 4.340 -0.002 0.000 0.209 71 L C 1.633 178.524 176.870 0.035 0.000 1.083 71 L CA 1.673 56.616 54.840 0.171 0.000 0.752 71 L CB -0.286 41.664 42.059 -0.181 0.000 0.899 71 L HN 0.137 nan 8.230 nan 0.000 0.433 72 F N -1.004 119.025 119.950 0.131 0.000 2.335 72 F HA 0.024 4.550 4.527 -0.002 0.000 0.296 72 F C 2.639 178.480 175.800 0.069 0.000 1.091 72 F CA 0.946 58.988 58.000 0.070 0.000 1.399 72 F CB -0.492 38.491 39.000 -0.028 0.000 1.067 72 F HN -0.031 nan 8.300 nan 0.000 0.520 73 R N 1.027 121.690 120.500 0.273 0.000 2.105 73 R HA -0.147 4.191 4.340 -0.002 0.000 0.239 73 R C 0.939 177.332 176.300 0.155 0.000 1.135 73 R CA 1.543 57.762 56.100 0.199 0.000 0.967 73 R CB -0.254 30.175 30.300 0.215 0.000 0.861 73 R HN 0.292 nan 8.270 nan 0.000 0.442 74 E N -1.175 119.123 120.200 0.163 0.000 2.335 74 E HA 0.109 4.458 4.350 -0.002 0.000 0.191 74 E C 0.404 177.054 176.600 0.082 0.000 1.077 74 E CA 0.309 56.781 56.400 0.120 0.000 1.010 74 E CB 0.741 30.531 29.700 0.150 0.000 1.141 74 E HN 0.657 nan 8.360 nan 0.000 0.452 75 G N 1.216 110.063 108.800 0.078 0.000 2.254 75 G HA2 -0.340 3.619 3.960 -0.002 0.000 0.225 75 G HA3 -0.340 3.619 3.960 -0.002 0.000 0.225 75 G C 0.044 174.953 174.900 0.016 0.000 1.003 75 G CA -0.136 44.992 45.100 0.047 0.000 0.622 75 G HN 0.495 nan 8.290 nan 0.000 0.507 76 Y N 1.367 121.546 120.300 -0.202 0.000 2.712 76 Y HA 0.428 4.976 4.550 -0.002 0.000 0.333 76 Y C 1.401 177.078 175.900 -0.371 0.000 1.225 76 Y CA 0.514 58.389 58.100 -0.374 0.000 1.499 76 Y CB 0.557 38.611 38.460 -0.676 0.000 1.288 76 Y HN 0.061 nan 8.280 nan 0.000 0.575 77 R N 3.428 123.351 120.500 -0.962 0.000 2.549 77 R HA 0.268 4.606 4.340 -0.002 0.000 0.399 77 R C 0.237 176.089 176.300 -0.745 0.000 0.964 77 R CA 0.148 55.821 56.100 -0.711 0.000 1.173 77 R CB 0.572 30.740 30.300 -0.221 0.000 1.535 77 R HN 0.786 nan 8.270 nan 0.000 0.551 78 G N 1.061 108.943 108.800 -1.531 0.000 2.580 78 G HA2 0.343 4.302 3.960 -0.002 0.000 0.278 78 G HA3 0.343 4.302 3.960 -0.002 0.000 0.278 78 G C -2.337 172.448 174.900 -0.192 0.000 1.212 78 G CA -1.081 43.666 45.100 -0.590 0.000 0.939 78 G HN -0.075 nan 8.290 nan 0.000 0.513 79 P HA 0.265 nan 4.420 nan 0.000 0.274 79 P C -0.815 176.463 177.300 -0.036 0.000 1.237 79 P CA -0.253 62.801 63.100 -0.076 0.000 0.793 79 P CB 1.584 33.081 31.700 -0.340 0.000 0.977 80 V N 2.827 122.672 119.914 -0.114 0.000 2.380 80 V HA 0.240 4.359 4.120 -0.002 0.000 0.286 80 V C -0.573 175.453 176.094 -0.114 0.000 1.015 80 V CA -0.532 61.779 62.300 0.019 0.000 0.834 80 V CB 0.396 32.342 31.823 0.206 0.000 1.009 80 V HN 0.382 nan 8.190 nan 0.000 0.428 81 Y N 2.965 123.342 120.300 0.128 0.000 2.313 81 Y HA 0.778 5.327 4.550 -0.002 0.000 0.332 81 Y C 0.560 176.599 175.900 0.232 0.000 1.071 81 Y CA -0.132 58.042 58.100 0.124 0.000 1.169 81 Y CB 1.699 40.182 38.460 0.038 0.000 1.192 81 Y HN 0.779 nan 8.280 nan 0.000 0.487 82 A N 0.828 123.857 122.820 0.348 0.000 2.601 82 A HA 0.611 4.930 4.320 -0.002 0.000 0.291 82 A C -0.356 177.257 177.584 0.048 0.000 1.075 82 A CA -0.794 51.355 52.037 0.188 0.000 0.671 82 A CB 0.380 19.398 19.000 0.030 0.000 1.277 82 A HN 0.681 nan 8.150 nan 0.000 0.417 83 T N -0.830 113.589 114.554 -0.225 0.000 2.802 83 T HA 0.337 4.685 4.350 -0.002 0.000 0.305 83 T C 1.175 175.767 174.700 -0.181 0.000 1.053 83 T CA 0.173 62.132 62.100 -0.236 0.000 1.058 83 T CB 0.500 69.095 68.868 -0.455 0.000 0.988 83 T HN 0.640 nan 8.240 nan 0.000 0.539 84 R N 1.255 121.702 120.500 -0.089 0.000 2.096 84 R HA -0.070 4.269 4.340 -0.002 0.000 0.240 84 R C 2.812 178.972 176.300 -0.233 0.000 1.139 84 R CA 2.058 58.111 56.100 -0.079 0.000 0.952 84 R CB -1.367 28.966 30.300 0.055 0.000 0.854 84 R HN 0.886 nan 8.270 nan 0.000 0.436 85 A N -0.700 121.785 122.820 -0.558 0.000 1.902 85 A HA -0.180 4.139 4.320 -0.002 0.000 0.217 85 A C 2.193 179.513 177.584 -0.439 0.000 1.181 85 A CA 2.162 53.772 52.037 -0.712 0.000 0.623 85 A CB -1.002 17.097 19.000 -1.501 0.000 0.818 85 A HN 0.395 nan 8.150 nan 0.000 0.443 86 T N -0.178 114.134 114.554 -0.403 0.000 2.684 86 T HA -0.140 4.209 4.350 -0.002 0.000 0.267 86 T C 1.899 176.500 174.700 -0.164 0.000 1.036 86 T CA 1.678 63.627 62.100 -0.252 0.000 1.148 86 T CB -0.502 68.222 68.868 -0.240 0.000 0.863 86 T HN 0.180 nan 8.240 nan 0.000 0.436 87 V N 1.465 121.290 119.914 -0.149 0.000 2.287 87 V HA -0.155 3.964 4.120 -0.002 0.000 0.248 87 V C 2.496 178.536 176.094 -0.090 0.000 1.053 87 V CA 1.598 63.840 62.300 -0.096 0.000 1.027 87 V CB -0.724 31.052 31.823 -0.077 0.000 0.646 87 V HN 0.423 nan 8.190 nan 0.000 0.447 88 L N -0.921 120.236 121.223 -0.112 0.000 2.027 88 L HA -0.158 4.181 4.340 -0.002 0.000 0.206 88 L C 2.439 179.267 176.870 -0.070 0.000 1.074 88 L CA 1.505 56.294 54.840 -0.085 0.000 0.745 88 L CB -0.495 41.508 42.059 -0.093 0.000 0.898 88 L HN 0.283 nan 8.230 nan 0.000 0.433 89 L N -1.084 120.084 121.223 -0.093 0.000 2.083 89 L HA -0.262 4.077 4.340 -0.002 0.000 0.209 89 L C 2.670 179.520 176.870 -0.033 0.000 1.083 89 L CA 1.199 56.007 54.840 -0.053 0.000 0.752 89 L CB -0.348 41.668 42.059 -0.070 0.000 0.899 89 L HN 0.348 nan 8.230 nan 0.000 0.433 90 M N -0.412 119.159 119.600 -0.048 0.000 2.195 90 M HA -0.280 4.199 4.480 -0.002 0.000 0.260 90 M C 2.204 178.489 176.300 -0.024 0.000 1.066 90 M CA 1.744 57.025 55.300 -0.031 0.000 1.089 90 M CB -0.141 32.434 32.600 -0.043 0.000 1.377 90 M HN 0.273 nan 8.290 nan 0.000 0.411 91 E N 0.490 120.672 120.200 -0.030 0.000 2.106 91 E HA -0.182 4.167 4.350 -0.002 0.000 0.192 91 E C 1.739 178.334 176.600 -0.007 0.000 0.984 91 E CA 1.138 57.523 56.400 -0.025 0.000 0.806 91 E CB -0.028 29.655 29.700 -0.028 0.000 0.750 91 E HN 0.551 nan 8.360 nan 0.000 0.458 92 I N 0.374 120.943 120.570 -0.001 0.000 2.110 92 I HA -0.262 3.907 4.170 -0.002 0.000 0.236 92 I C 2.417 178.550 176.117 0.027 0.000 1.068 92 I CA 0.786 62.094 61.300 0.012 0.000 1.333 92 I CB -0.415 37.594 38.000 0.015 0.000 1.054 92 I HN 0.038 nan 8.210 nan 0.000 0.402 93 V N 1.008 120.941 119.914 0.032 0.000 2.278 93 V HA -0.315 3.804 4.120 -0.002 0.000 0.251 93 V C 2.416 178.547 176.094 0.062 0.000 1.062 93 V CA 1.923 64.256 62.300 0.054 0.000 1.038 93 V CB -0.659 31.198 31.823 0.057 0.000 0.646 93 V HN 0.315 nan 8.190 nan 0.000 0.447 94 L N -0.531 120.717 121.223 0.041 0.000 2.156 94 L HA -0.044 4.295 4.340 -0.002 0.000 0.208 94 L C 2.503 179.415 176.870 0.070 0.000 1.095 94 L CA 1.523 56.392 54.840 0.047 0.000 0.770 94 L CB -0.897 41.154 42.059 -0.014 0.000 0.914 94 L HN 0.312 nan 8.230 nan 0.000 0.439 95 E N -0.281 119.945 120.200 0.043 0.000 2.047 95 E HA -0.241 4.108 4.350 -0.002 0.000 0.191 95 E C 1.789 178.418 176.600 0.048 0.000 0.987 95 E CA 1.338 57.763 56.400 0.041 0.000 0.799 95 E CB -0.503 29.209 29.700 0.020 0.000 0.752 95 E HN 0.568 nan 8.360 nan 0.000 0.449 96 D N 1.091 121.519 120.400 0.047 0.000 2.092 96 D HA -0.169 4.470 4.640 -0.002 0.000 0.193 96 D C 1.892 178.226 176.300 0.056 0.000 0.994 96 D CA 1.814 55.842 54.000 0.047 0.000 0.828 96 D CB 0.026 40.858 40.800 0.053 0.000 0.963 96 D HN 0.044 nan 8.370 nan 0.000 0.450 97 A N 1.460 124.330 122.820 0.083 0.000 1.948 97 A HA -0.155 4.164 4.320 -0.002 0.000 0.220 97 A C 2.623 180.231 177.584 0.040 0.000 1.177 97 A CA 1.398 53.490 52.037 0.092 0.000 0.636 97 A CB -1.012 18.082 19.000 0.157 0.000 0.815 97 A HN 0.473 nan 8.150 nan 0.000 0.449 98 L N -0.801 120.467 121.223 0.075 0.000 1.994 98 L HA -0.217 4.121 4.340 -0.002 0.000 0.208 98 L C 2.604 179.439 176.870 -0.058 0.000 1.071 98 L CA 2.424 57.263 54.840 -0.002 0.000 0.745 98 L CB -0.354 41.775 42.059 0.115 0.000 0.892 98 L HN 0.522 nan 8.230 nan 0.000 0.431 99 K N -0.501 119.893 120.400 -0.010 0.000 1.985 99 K HA -0.102 4.216 4.320 -0.002 0.000 0.210 99 K C 0.590 177.180 176.600 -0.017 0.000 1.047 99 K CA 1.114 57.393 56.287 -0.014 0.000 0.932 99 K CB -0.007 32.494 32.500 0.002 0.000 0.716 99 K HN 0.175 nan 8.250 nan 0.000 0.439 100 V N 2.907 122.821 119.914 0.000 0.000 2.313 100 V HA 0.235 4.354 4.120 -0.002 0.000 0.252 100 V C -0.247 175.848 176.094 0.002 0.000 1.112 100 V CA 0.229 62.534 62.300 0.009 0.000 0.984 100 V CB -0.076 31.765 31.823 0.029 0.000 1.157 100 V HN 0.379 nan 8.190 nan 0.000 0.493 101 M N 2.783 122.373 119.600 -0.018 0.000 2.342 101 M HA 0.260 4.738 4.480 -0.002 0.000 0.260 101 M C -0.163 176.125 176.300 -0.021 0.000 1.023 101 M CA -0.423 54.863 55.300 -0.023 0.000 0.919 101 M CB 1.762 34.305 32.600 -0.095 0.000 2.048 101 M HN 0.438 nan 8.290 nan 0.000 0.479 102 D N 2.360 122.770 120.400 0.016 0.000 2.088 102 D HA -0.126 4.512 4.640 -0.002 0.000 0.191 102 D C -0.066 176.245 176.300 0.020 0.000 0.992 102 D CA 1.619 55.632 54.000 0.021 0.000 0.831 102 D CB 0.314 41.138 40.800 0.039 0.000 0.973 102 D HN 0.639 nan 8.370 nan 0.000 0.447 103 E N 1.373 121.612 120.200 0.064 0.000 2.256 103 E HA 0.201 4.550 4.350 -0.002 0.000 0.243 103 E C -2.508 174.192 176.600 0.166 0.000 0.925 103 E CA -2.031 54.430 56.400 0.101 0.000 0.748 103 E CB 1.733 31.498 29.700 0.110 0.000 1.206 103 E HN -0.021 nan 8.360 nan 0.000 0.428 104 P HA -0.028 nan 4.420 nan 0.000 0.267 104 P C -0.252 176.973 177.300 -0.126 0.000 1.209 104 P CA 0.011 62.932 63.100 -0.298 0.000 0.763 104 P CB 0.139 31.627 31.700 -0.353 0.000 0.816 105 F N 2.345 122.106 119.950 -0.315 0.000 2.639 105 F HA 0.482 5.007 4.527 -0.002 0.000 0.300 105 F C -0.122 175.681 175.800 0.004 0.000 1.109 105 F CA -1.244 56.617 58.000 -0.231 0.000 1.335 105 F CB -0.452 38.158 39.000 -0.650 0.000 1.014 105 F HN 0.121 nan 8.300 nan 0.000 0.537 106 F N -1.676 118.175 119.950 -0.166 0.000 2.708 106 F HA 0.796 5.322 4.527 -0.002 0.000 0.309 106 F C -0.311 175.431 175.800 -0.097 0.000 1.120 106 F CA -1.878 56.070 58.000 -0.086 0.000 0.978 106 F CB 0.507 39.452 39.000 -0.091 0.000 1.283 106 F HN 0.066 nan 8.300 nan 0.000 0.439 107 G N 0.698 109.635 108.800 0.229 0.000 2.521 107 G HA2 0.620 4.578 3.960 -0.002 0.000 0.323 107 G HA3 0.620 4.578 3.960 -0.002 0.000 0.323 107 G C -2.268 172.760 174.900 0.213 0.000 1.211 107 G CA -1.917 43.260 45.100 0.128 0.000 0.979 107 G HN 0.506 nan 8.290 nan 0.000 0.490 108 P HA -0.105 nan 4.420 nan 0.000 0.219 108 P C 1.361 178.696 177.300 0.059 0.000 1.150 108 P CA 1.134 64.290 63.100 0.094 0.000 0.814 108 P CB 0.228 31.957 31.700 0.048 0.000 0.787 109 E N 0.445 120.678 120.200 0.054 0.000 2.265 109 E HA -0.183 4.165 4.350 -0.002 0.000 0.196 109 E C 1.076 177.693 176.600 0.028 0.000 0.996 109 E CA 1.093 57.513 56.400 0.034 0.000 0.832 109 E CB -0.931 28.792 29.700 0.038 0.000 0.756 109 E HN 0.274 nan 8.360 nan 0.000 0.491 110 D N 1.007 121.439 120.400 0.054 0.000 2.149 110 D HA -0.025 4.614 4.640 -0.002 0.000 0.206 110 D C 2.214 178.462 176.300 -0.087 0.000 0.967 110 D CA 0.904 54.922 54.000 0.029 0.000 0.848 110 D CB 0.018 40.882 40.800 0.107 0.000 0.998 110 D HN 0.082 nan 8.370 nan 0.000 0.474 111 V N 1.690 121.562 119.914 -0.070 0.000 2.568 111 V HA -0.218 3.901 4.120 -0.002 0.000 0.253 111 V C 2.401 178.411 176.094 -0.140 0.000 1.072 111 V CA 1.573 63.791 62.300 -0.137 0.000 1.084 111 V CB -0.430 31.371 31.823 -0.037 0.000 0.676 111 V HN 0.227 nan 8.190 nan 0.000 0.469 112 E N -0.273 119.871 120.200 -0.093 0.000 2.072 112 E HA -0.198 4.150 4.350 -0.002 0.000 0.190 112 E C 2.288 178.805 176.600 -0.139 0.000 0.982 112 E CA 0.951 57.297 56.400 -0.090 0.000 0.803 112 E CB 0.053 29.725 29.700 -0.047 0.000 0.755 112 E HN 0.551 nan 8.360 nan 0.000 0.453 113 E N 0.503 120.602 120.200 -0.168 0.000 2.031 113 E HA -0.188 4.161 4.350 -0.002 0.000 0.193 113 E C 2.001 178.253 176.600 -0.580 0.000 0.994 113 E CA 0.993 57.258 56.400 -0.226 0.000 0.800 113 E CB -0.386 29.212 29.700 -0.171 0.000 0.752 113 E HN 0.316 nan 8.360 nan 0.000 0.447 114 A N 1.608 123.886 122.820 -0.904 0.000 1.869 114 A HA -0.214 4.104 4.320 -0.002 0.000 0.218 114 A C 2.429 179.695 177.584 -0.530 0.000 1.203 114 A CA 1.745 53.055 52.037 -1.211 0.000 0.638 114 A CB -1.039 17.602 19.000 -0.597 0.000 0.831 114 A HN 0.235 nan 8.150 nan 0.000 0.450 115 L N -0.750 120.297 121.223 -0.292 0.000 2.191 115 L HA -0.133 4.206 4.340 -0.002 0.000 0.212 115 L C 2.598 179.389 176.870 -0.132 0.000 1.103 115 L CA 0.874 55.617 54.840 -0.162 0.000 0.769 115 L CB -0.641 41.347 42.059 -0.119 0.000 0.908 115 L HN 0.537 nan 8.230 nan 0.000 0.438 116 G N -1.975 106.745 108.800 -0.133 0.000 2.744 116 G HA2 -0.171 3.788 3.960 -0.002 0.000 0.211 116 G HA3 -0.171 3.788 3.960 -0.002 0.000 0.211 116 G C 0.693 175.461 174.900 -0.219 0.000 1.143 116 G CA 0.123 45.141 45.100 -0.137 0.000 0.788 116 G HN 0.444 nan 8.290 nan 0.000 0.534 117 H N -0.787 118.164 119.070 -0.199 0.000 2.528 117 H HA 0.376 4.931 4.556 -0.002 0.000 0.282 117 H C 0.210 175.474 175.328 -0.106 0.000 1.097 117 H CA -0.533 55.443 56.048 -0.120 0.000 1.121 117 H CB 0.323 30.078 29.762 -0.012 0.000 1.590 117 H HN 0.110 nan 8.280 nan 0.000 0.553 118 L N 2.045 123.244 121.223 -0.039 0.000 2.315 118 L HA 0.295 4.634 4.340 -0.002 0.000 0.283 118 L C 0.087 176.905 176.870 -0.086 0.000 1.089 118 L CA -0.314 54.495 54.840 -0.051 0.000 0.833 118 L CB 0.455 42.486 42.059 -0.046 0.000 1.170 118 L HN 0.088 nan 8.230 nan 0.000 0.442 119 R N 4.941 125.362 120.500 -0.132 0.000 2.393 119 R HA 0.445 4.784 4.340 -0.002 0.000 0.310 119 R C -2.496 173.828 176.300 0.040 0.000 0.968 119 R CA -2.057 53.984 56.100 -0.098 0.000 0.867 119 R CB 1.706 31.848 30.300 -0.263 0.000 1.124 119 R HN 0.296 nan 8.270 nan 0.000 0.450 120 P HA 0.185 nan 4.420 nan 0.000 0.281 120 P C -0.844 176.542 177.300 0.144 0.000 1.252 120 P CA -0.491 62.658 63.100 0.082 0.000 0.778 120 P CB 1.135 32.857 31.700 0.035 0.000 0.895 121 L N 3.303 124.625 121.223 0.164 0.000 2.504 121 L HA 0.380 4.719 4.340 -0.002 0.000 0.265 121 L C -0.115 176.819 176.870 0.107 0.000 0.975 121 L CA -0.371 54.553 54.840 0.141 0.000 0.864 121 L CB 1.347 43.499 42.059 0.156 0.000 1.212 121 L HN 0.176 nan 8.230 nan 0.000 0.416 122 E N 2.463 122.660 120.200 -0.005 0.000 2.385 122 E HA 0.226 4.575 4.350 -0.002 0.000 0.254 122 E C -0.894 175.628 176.600 -0.129 0.000 1.228 122 E CA -0.364 55.963 56.400 -0.122 0.000 0.956 122 E CB 0.304 29.965 29.700 -0.065 0.000 1.116 122 E HN 0.404 nan 8.360 nan 0.000 0.507 123 Y N -0.246 120.059 120.300 0.008 0.000 2.597 123 Y HA 0.240 4.789 4.550 -0.002 0.000 0.336 123 Y C 1.750 177.589 175.900 -0.102 0.000 1.216 123 Y CA 1.140 59.210 58.100 -0.051 0.000 1.463 123 Y CB 0.166 38.578 38.460 -0.081 0.000 1.303 123 Y HN 0.718 nan 8.280 nan 0.000 0.576 124 G N 1.383 110.163 108.800 -0.034 0.000 2.166 124 G HA2 -0.286 3.672 3.960 -0.002 0.000 0.260 124 G HA3 -0.286 3.672 3.960 -0.002 0.000 0.260 124 G C -0.146 174.637 174.900 -0.195 0.000 0.986 124 G CA 0.085 45.113 45.100 -0.119 0.000 0.683 124 G HN 0.617 nan 8.290 nan 0.000 0.527 125 E N -0.943 119.100 120.200 -0.262 0.000 2.175 125 E HA 0.461 4.810 4.350 -0.002 0.000 0.278 125 E C -0.529 175.833 176.600 -0.398 0.000 0.969 125 E CA -0.859 55.428 56.400 -0.189 0.000 0.796 125 E CB 0.899 30.540 29.700 -0.097 0.000 1.104 125 E HN 0.329 nan 8.360 nan 0.000 0.395 126 W N 2.938 124.188 121.300 -0.082 0.000 2.390 126 W HA 0.309 4.967 4.660 -0.002 0.000 0.312 126 W C -0.371 176.051 176.519 -0.161 0.000 1.123 126 W CA -0.549 56.726 57.345 -0.116 0.000 1.202 126 W CB 0.634 30.046 29.460 -0.079 0.000 1.251 126 W HN 0.310 nan 8.180 nan 0.000 0.511 127 L N 4.984 126.189 121.223 -0.030 0.000 2.309 127 L HA 0.532 4.871 4.340 -0.002 0.000 0.282 127 L C -0.328 176.527 176.870 -0.024 0.000 1.036 127 L CA -0.645 54.096 54.840 -0.165 0.000 0.806 127 L CB 0.638 42.441 42.059 -0.428 0.000 1.220 127 L HN 0.263 nan 8.230 nan 0.000 0.429 128 R N 6.770 127.249 120.500 -0.036 0.000 2.312 128 R HA 0.439 4.777 4.340 -0.002 0.000 0.310 128 R C -1.557 174.736 176.300 -0.012 0.000 1.064 128 R CA -0.387 55.711 56.100 -0.003 0.000 0.983 128 R CB 0.638 30.942 30.300 0.006 0.000 1.139 128 R HN 0.615 nan 8.270 nan 0.000 0.536 129 L N 2.095 123.311 121.223 -0.011 0.000 2.277 129 L HA 0.411 4.749 4.340 -0.002 0.000 0.284 129 L C 1.313 178.185 176.870 0.003 0.000 1.028 129 L CA -0.426 54.415 54.840 0.002 0.000 0.835 129 L CB 1.465 43.526 42.059 0.003 0.000 1.215 129 L HN 0.803 nan 8.230 nan 0.000 0.425 130 G N 3.360 112.164 108.800 0.006 0.000 2.634 130 G HA2 -0.390 3.569 3.960 -0.002 0.000 0.318 130 G HA3 -0.390 3.569 3.960 -0.002 0.000 0.318 130 G C 0.566 175.463 174.900 -0.004 0.000 1.207 130 G CA 0.507 45.608 45.100 0.002 0.000 0.987 130 G HN 0.883 nan 8.290 nan 0.000 0.547 131 A N -0.727 122.089 122.820 -0.006 0.000 2.545 131 A HA 0.703 5.021 4.320 -0.002 0.000 0.277 131 A C 0.312 177.890 177.584 -0.009 0.000 1.301 131 A CA 0.904 52.934 52.037 -0.012 0.000 0.935 131 A CB 0.081 19.073 19.000 -0.013 0.000 1.093 131 A HN 1.569 nan 8.150 nan 0.000 0.519 132 L N -0.344 120.878 121.223 -0.002 0.000 2.331 132 L HA 0.768 5.106 4.340 -0.002 0.000 0.275 132 L C -0.480 176.407 176.870 0.028 0.000 1.022 132 L CA -0.035 54.811 54.840 0.010 0.000 0.812 132 L CB 2.092 44.155 42.059 0.007 0.000 1.257 132 L HN -0.020 nan 8.230 nan 0.000 0.435 133 S N 4.511 120.253 115.700 0.070 0.000 2.532 133 S HA 0.813 5.281 4.470 -0.002 0.000 0.299 133 S C -1.004 173.767 174.600 0.286 0.000 1.105 133 S CA -0.467 57.839 58.200 0.176 0.000 1.018 133 S CB 1.227 64.483 63.200 0.094 0.000 1.021 133 S HN 0.535 nan 8.310 nan 0.000 0.483 134 L N 2.148 123.510 121.223 0.233 0.000 2.388 134 L HA 0.984 5.322 4.340 -0.002 0.000 0.264 134 L C -0.389 176.224 176.870 -0.427 0.000 0.998 134 L CA -0.657 54.158 54.840 -0.041 0.000 0.817 134 L CB 2.034 43.990 42.059 -0.172 0.000 1.338 134 L HN 0.755 nan 8.230 nan 0.000 0.414 135 A N 1.274 123.698 122.820 -0.660 0.000 2.604 135 A HA 0.805 5.124 4.320 -0.002 0.000 0.295 135 A C -1.724 175.513 177.584 -0.579 0.000 1.067 135 A CA -0.428 51.038 52.037 -0.952 0.000 0.683 135 A CB 1.149 19.084 19.000 -1.774 0.000 1.281 135 A HN 0.354 nan 8.150 nan 0.000 0.407 136 F N 0.732 120.435 119.950 -0.410 0.000 2.379 136 F HA 0.666 5.191 4.527 -0.002 0.000 0.332 136 F C 1.081 176.662 175.800 -0.365 0.000 1.096 136 F CA -0.162 57.638 58.000 -0.335 0.000 1.105 136 F CB 2.106 40.931 39.000 -0.292 0.000 1.189 136 F HN 0.757 nan 8.300 nan 0.000 0.515 137 G N 1.034 109.521 108.800 -0.522 0.000 2.519 137 G HA2 0.450 4.409 3.960 -0.002 0.000 0.307 137 G HA3 0.450 4.409 3.960 -0.002 0.000 0.307 137 G C -1.523 172.971 174.900 -0.677 0.000 1.266 137 G CA -0.790 43.794 45.100 -0.861 0.000 0.970 137 G HN 0.442 nan 8.290 nan 0.000 0.481 138 Q N 0.368 119.939 119.800 -0.382 0.000 2.255 138 Q HA 0.437 4.776 4.340 -0.002 0.000 0.280 138 Q C 0.865 176.899 176.000 0.056 0.000 1.068 138 Q CA 0.876 56.471 55.803 -0.347 0.000 0.911 138 Q CB 1.144 29.628 28.738 -0.423 0.000 1.157 138 Q HN 0.609 nan 8.270 nan 0.000 0.380 139 A N 3.708 126.552 122.820 0.039 0.000 2.063 139 A HA 0.376 4.695 4.320 -0.002 0.000 0.211 139 A C 1.397 178.959 177.584 -0.037 0.000 1.177 139 A CA 0.546 52.634 52.037 0.086 0.000 0.759 139 A CB -0.506 18.509 19.000 0.026 0.000 0.857 139 A HN 1.410 nan 8.150 nan 0.000 0.468 140 G N -0.770 107.989 108.800 -0.068 0.000 2.225 140 G HA2 -0.363 3.596 3.960 -0.002 0.000 0.267 140 G HA3 -0.363 3.596 3.960 -0.002 0.000 0.267 140 G C 0.522 175.357 174.900 -0.109 0.000 1.024 140 G CA 1.335 46.379 45.100 -0.093 0.000 0.784 140 G HN 0.968 nan 8.290 nan 0.000 0.507 141 H N -1.479 117.433 119.070 -0.264 0.000 2.639 141 H HA 0.674 5.229 4.556 -0.002 0.000 0.267 141 H C 0.642 175.755 175.328 -0.358 0.000 0.958 141 H CA 0.854 56.681 56.048 -0.368 0.000 1.221 141 H CB 0.317 29.764 29.762 -0.525 0.000 1.446 141 H HN 0.437 nan 8.280 nan 0.000 0.512 142 L N 0.228 121.195 121.223 -0.426 0.000 2.653 142 L HA 0.385 4.723 4.340 -0.002 0.000 0.257 142 L C -2.675 174.024 176.870 -0.285 0.000 0.969 142 L CA -2.220 52.368 54.840 -0.419 0.000 0.869 142 L CB 2.076 43.824 42.059 -0.519 0.000 1.439 142 L HN -0.095 nan 8.230 nan 0.000 0.414 143 P HA 0.246 nan 4.420 nan 0.000 0.260 143 P C 0.567 177.593 177.300 -0.457 0.000 1.185 143 P CA 1.275 64.115 63.100 -0.434 0.000 0.763 143 P CB 0.346 31.677 31.700 -0.614 0.000 0.776 144 G N 2.221 110.816 108.800 -0.340 0.000 2.162 144 G HA2 -0.244 3.715 3.960 -0.002 0.000 0.260 144 G HA3 -0.244 3.715 3.960 -0.002 0.000 0.260 144 G C 0.352 175.098 174.900 -0.257 0.000 0.976 144 G CA 0.251 45.123 45.100 -0.380 0.000 0.655 144 G HN 0.774 nan 8.290 nan 0.000 0.533 145 S N -0.420 115.193 115.700 -0.146 0.000 2.601 145 S HA 0.909 5.377 4.470 -0.002 0.000 0.271 145 S C 0.234 174.792 174.600 -0.070 0.000 1.305 145 S CA 0.811 58.935 58.200 -0.127 0.000 1.022 145 S CB 2.321 65.437 63.200 -0.139 0.000 0.940 145 S HN 2.084 nan 8.310 nan 0.000 0.525 146 A N 1.320 124.051 122.820 -0.148 0.000 2.599 146 A HA 0.754 5.073 4.320 -0.002 0.000 0.290 146 A C -0.804 176.762 177.584 -0.030 0.000 1.101 146 A CA -1.097 50.873 52.037 -0.112 0.000 0.674 146 A CB 0.580 19.416 19.000 -0.274 0.000 1.277 146 A HN 1.279 nan 8.150 nan 0.000 0.419 147 F N -0.688 119.311 119.950 0.082 0.000 2.518 147 F HA 0.880 5.406 4.527 -0.002 0.000 0.338 147 F C -0.391 175.545 175.800 0.226 0.000 1.065 147 F CA -1.273 56.757 58.000 0.050 0.000 1.012 147 F CB 0.969 40.034 39.000 0.108 0.000 1.297 147 F HN 0.308 nan 8.300 nan 0.000 0.489 148 V N 1.684 121.881 119.914 0.473 0.000 2.628 148 V HA 0.532 4.650 4.120 -0.002 0.000 0.306 148 V C -0.700 175.619 176.094 0.375 0.000 1.045 148 V CA -0.881 61.627 62.300 0.347 0.000 0.905 148 V CB 1.708 33.734 31.823 0.338 0.000 0.997 148 V HN 0.716 nan 8.190 nan 0.000 0.436 149 V N 3.807 123.839 119.914 0.197 0.000 2.350 149 V HA 0.762 4.881 4.120 -0.002 0.000 0.285 149 V C 0.218 176.405 176.094 0.155 0.000 1.014 149 V CA -0.408 62.022 62.300 0.216 0.000 0.831 149 V CB 1.439 33.394 31.823 0.220 0.000 1.000 149 V HN 0.994 nan 8.190 nan 0.000 0.433 150 A N 4.756 127.677 122.820 0.168 0.000 2.330 150 A HA 0.854 5.173 4.320 -0.002 0.000 0.327 150 A C -0.616 177.054 177.584 0.143 0.000 1.155 150 A CA -0.548 51.573 52.037 0.140 0.000 0.803 150 A CB 1.693 20.750 19.000 0.094 0.000 1.208 150 A HN 0.636 nan 8.150 nan 0.000 0.477 151 Q N 1.208 121.094 119.800 0.143 0.000 2.331 151 Q HA 0.638 4.977 4.340 -0.002 0.000 0.272 151 Q C -0.758 175.266 176.000 0.040 0.000 1.062 151 Q CA -0.191 55.663 55.803 0.085 0.000 0.806 151 Q CB 2.312 31.097 28.738 0.079 0.000 1.312 151 Q HN 1.562 nan 8.270 nan 0.000 0.431 152 G N 1.524 110.334 108.800 0.016 0.000 2.377 152 G HA2 0.241 4.200 3.960 -0.002 0.000 0.297 152 G HA3 0.241 4.200 3.960 -0.002 0.000 0.297 152 G C -1.093 173.805 174.900 -0.003 0.000 1.547 152 G CA -0.321 44.779 45.100 0.000 0.000 0.833 152 G HN 0.676 nan 8.290 nan 0.000 0.583 153 E N -1.074 119.120 120.200 -0.010 0.000 2.586 153 E HA -0.232 4.117 4.350 -0.002 0.000 0.259 153 E C 1.496 178.090 176.600 -0.010 0.000 1.107 153 E CA 1.523 57.917 56.400 -0.010 0.000 0.754 153 E CB -1.239 28.457 29.700 -0.007 0.000 1.335 153 E HN 2.536 nan 8.360 nan 0.000 0.411 154 G N -0.249 108.542 108.800 -0.014 0.000 2.168 154 G HA2 -0.385 3.574 3.960 -0.002 0.000 0.263 154 G HA3 -0.385 3.574 3.960 -0.002 0.000 0.263 154 G C 0.237 175.132 174.900 -0.008 0.000 0.977 154 G CA 0.935 46.027 45.100 -0.014 0.000 0.659 154 G HN 0.286 nan 8.290 nan 0.000 0.533 155 R N -0.738 119.761 120.500 -0.002 0.000 2.892 155 R HA 0.710 5.049 4.340 -0.002 0.000 0.265 155 R C -1.051 175.260 176.300 0.019 0.000 1.025 155 R CA -0.564 55.539 56.100 0.005 0.000 0.982 155 R CB 1.588 31.891 30.300 0.004 0.000 1.185 155 R HN 0.103 nan 8.270 nan 0.000 0.484 156 T N 2.037 116.606 114.554 0.026 0.000 2.840 156 T HA 0.355 4.704 4.350 -0.002 0.000 0.287 156 T C -1.022 173.711 174.700 0.055 0.000 0.991 156 T CA -0.576 61.553 62.100 0.049 0.000 0.964 156 T CB 1.186 70.084 68.868 0.050 0.000 0.954 156 T HN 0.257 nan 8.240 nan 0.000 0.438 157 L N 4.472 125.743 121.223 0.079 0.000 2.334 157 L HA 0.888 5.227 4.340 -0.002 0.000 0.272 157 L C -1.239 175.717 176.870 0.142 0.000 1.020 157 L CA -0.559 54.335 54.840 0.091 0.000 0.812 157 L CB 1.660 43.769 42.059 0.083 0.000 1.264 157 L HN 0.432 nan 8.230 nan 0.000 0.439 158 V N 4.748 124.758 119.914 0.161 0.000 2.524 158 V HA 0.287 4.406 4.120 -0.002 0.000 0.297 158 V C -1.353 174.943 176.094 0.338 0.000 1.035 158 V CA -0.481 61.961 62.300 0.237 0.000 0.867 158 V CB 1.383 33.275 31.823 0.116 0.000 1.004 158 V HN 0.711 nan 8.190 nan 0.000 0.426 159 Y N 4.425 124.886 120.300 0.269 0.000 2.417 159 Y HA 0.301 4.850 4.550 -0.002 0.000 0.336 159 Y C 1.590 177.700 175.900 0.349 0.000 0.961 159 Y CA -0.047 58.207 58.100 0.257 0.000 1.215 159 Y CB 1.866 40.468 38.460 0.236 0.000 1.120 159 Y HN 0.796 nan 8.280 nan 0.000 0.499 160 S N 4.006 119.752 115.700 0.077 0.000 2.400 160 S HA 0.036 4.505 4.470 -0.002 0.000 0.232 160 S C 1.408 175.752 174.600 -0.427 0.000 1.025 160 S CA 0.967 59.058 58.200 -0.181 0.000 0.993 160 S CB -0.822 62.163 63.200 -0.358 0.000 0.808 160 S HN 1.393 nan 8.310 nan 0.000 0.478 161 G N 1.600 109.851 108.800 -0.916 0.000 2.583 161 G HA2 -0.240 3.719 3.960 -0.002 0.000 0.292 161 G HA3 -0.240 3.719 3.960 -0.002 0.000 0.292 161 G C -0.926 173.783 174.900 -0.318 0.000 1.203 161 G CA 0.404 45.122 45.100 -0.637 0.000 0.987 161 G HN 0.572 nan 8.290 nan 0.000 0.554 162 D N 0.822 121.027 120.400 -0.324 0.000 2.408 162 D HA 0.619 5.258 4.640 -0.002 0.000 0.243 162 D C 0.391 176.382 176.300 -0.516 0.000 1.075 162 D CA -0.304 53.386 54.000 -0.518 0.000 0.832 162 D CB 1.252 41.516 40.800 -0.893 0.000 1.162 162 D HN 0.507 nan 8.370 nan 0.000 0.515 163 L N 1.491 122.429 121.223 -0.476 0.000 2.350 163 L HA 0.553 4.891 4.340 -0.002 0.000 0.275 163 L C 1.397 178.096 176.870 -0.286 0.000 1.099 163 L CA -0.615 53.965 54.840 -0.432 0.000 0.808 163 L CB 1.214 42.906 42.059 -0.611 0.000 1.149 163 L HN 0.312 nan 8.230 nan 0.000 0.442 164 G N 0.819 109.506 108.800 -0.189 0.000 2.557 164 G HA2 0.093 4.052 3.960 -0.002 0.000 0.292 164 G HA3 0.093 4.052 3.960 -0.002 0.000 0.292 164 G C -0.442 174.400 174.900 -0.098 0.000 1.237 164 G CA -0.586 44.444 45.100 -0.117 0.000 0.978 164 G HN 0.761 nan 8.290 nan 0.000 0.498 165 N N -0.315 118.326 118.700 -0.099 0.000 2.602 165 N HA 0.067 4.806 4.740 -0.002 0.000 0.238 165 N C 1.557 177.004 175.510 -0.105 0.000 1.084 165 N CA -0.402 52.597 53.050 -0.084 0.000 0.952 165 N CB 0.241 38.650 38.487 -0.130 0.000 1.244 165 N HN 0.515 nan 8.380 nan 0.000 0.512 166 R N 2.084 122.548 120.500 -0.061 0.000 2.294 166 R HA -0.190 4.149 4.340 -0.002 0.000 0.250 166 R C 0.531 176.793 176.300 -0.065 0.000 1.181 166 R CA 1.595 57.665 56.100 -0.050 0.000 1.016 166 R CB 0.167 30.463 30.300 -0.006 0.000 0.869 166 R HN 0.677 nan 8.270 nan 0.000 0.476 167 E N -0.380 119.769 120.200 -0.085 0.000 2.340 167 E HA 0.001 4.350 4.350 -0.002 0.000 0.194 167 E C 0.097 176.552 176.600 -0.241 0.000 0.996 167 E CA 0.105 56.458 56.400 -0.078 0.000 0.869 167 E CB 0.351 30.060 29.700 0.015 0.000 0.835 167 E HN 0.288 nan 8.360 nan 0.000 0.493 168 K N 0.986 121.095 120.400 -0.485 0.000 2.156 168 K HA 0.006 4.325 4.320 -0.002 0.000 0.242 168 K C 0.242 176.581 176.600 -0.436 0.000 1.033 168 K CA 0.180 55.911 56.287 -0.927 0.000 0.878 168 K CB 0.391 32.407 32.500 -0.805 0.000 1.057 168 K HN -0.110 nan 8.250 nan 0.000 0.505 169 D N -0.306 119.892 120.400 -0.337 0.000 2.423 169 D HA 0.004 4.642 4.640 -0.002 0.000 0.208 169 D C 1.553 177.770 176.300 -0.139 0.000 1.068 169 D CA 0.287 54.234 54.000 -0.088 0.000 0.860 169 D CB 0.309 41.195 40.800 0.143 0.000 0.992 169 D HN 0.119 nan 8.370 nan 0.000 0.504 170 V N 0.899 120.695 119.914 -0.196 0.000 2.283 170 V HA -0.078 4.041 4.120 -0.002 0.000 0.243 170 V C 0.954 177.049 176.094 0.002 0.000 1.039 170 V CA 0.947 63.115 62.300 -0.218 0.000 1.016 170 V CB -0.046 31.709 31.823 -0.114 0.000 0.650 170 V HN 0.107 nan 8.190 nan 0.000 0.449 171 L N 0.820 122.042 121.223 -0.002 0.000 2.416 171 L HA 0.436 4.774 4.340 -0.002 0.000 0.262 171 L C -2.074 174.779 176.870 -0.029 0.000 1.093 171 L CA -2.360 52.491 54.840 0.019 0.000 0.801 171 L CB 0.114 42.142 42.059 -0.051 0.000 1.191 171 L HN 0.101 nan 8.230 nan 0.000 0.459 172 P HA 0.154 nan 4.420 nan 0.000 0.278 172 P C -1.096 176.165 177.300 -0.064 0.000 1.258 172 P CA -0.679 62.387 63.100 -0.056 0.000 0.811 172 P CB 0.750 32.401 31.700 -0.081 0.000 1.063 173 D N 1.404 121.776 120.400 -0.048 0.000 2.424 173 D HA 0.190 4.829 4.640 -0.002 0.000 0.244 173 D C -1.939 174.356 176.300 -0.008 0.000 1.134 173 D CA -0.845 53.139 54.000 -0.028 0.000 0.881 173 D CB -0.872 39.924 40.800 -0.006 0.000 1.191 173 D HN 0.196 nan 8.370 nan 0.000 0.445 174 P HA -0.009 nan 4.420 nan 0.000 0.268 174 P C -0.165 177.241 177.300 0.176 0.000 1.208 174 P CA -0.049 63.101 63.100 0.083 0.000 0.777 174 P CB 0.567 32.290 31.700 0.038 0.000 0.875 175 S N 1.421 117.304 115.700 0.305 0.000 2.632 175 S HA 0.343 4.812 4.470 -0.002 0.000 0.271 175 S C -0.116 174.686 174.600 0.337 0.000 1.260 175 S CA -0.686 57.693 58.200 0.298 0.000 1.010 175 S CB -0.114 63.295 63.200 0.350 0.000 0.965 175 S HN 0.221 nan 8.310 nan 0.000 0.534 176 L N 4.432 125.732 121.223 0.127 0.000 2.417 176 L HA 0.398 4.736 4.340 -0.002 0.000 0.268 176 L C -1.692 175.032 176.870 -0.242 0.000 1.158 176 L CA -1.739 53.032 54.840 -0.115 0.000 0.819 176 L CB 0.561 42.550 42.059 -0.118 0.000 1.112 176 L HN 0.587 nan 8.230 nan 0.000 0.458 177 P HA 0.295 nan 4.420 nan 0.000 0.279 177 P C -2.664 174.440 177.300 -0.326 0.000 1.252 177 P CA -1.555 61.125 63.100 -0.699 0.000 0.811 177 P CB 0.372 31.232 31.700 -1.401 0.000 1.035 178 P HA 0.173 nan 4.420 nan 0.000 0.276 178 P C -0.341 176.901 177.300 -0.097 0.000 1.261 178 P CA -0.531 62.543 63.100 -0.043 0.000 0.800 178 P CB 0.508 32.252 31.700 0.075 0.000 1.066 179 L N 1.017 122.201 121.223 -0.066 0.000 2.500 179 L HA 0.369 4.708 4.340 -0.002 0.000 0.272 179 L C -0.117 176.727 176.870 -0.043 0.000 1.149 179 L CA 0.319 55.116 54.840 -0.071 0.000 0.897 179 L CB -0.985 41.045 42.059 -0.049 0.000 1.178 179 L HN 0.537 nan 8.230 nan 0.000 0.473 180 A N 3.840 126.627 122.820 -0.056 0.000 2.423 180 A HA 0.526 4.845 4.320 -0.002 0.000 0.304 180 A C 0.282 177.854 177.584 -0.020 0.000 1.104 180 A CA -0.631 51.392 52.037 -0.023 0.000 0.757 180 A CB 0.792 19.785 19.000 -0.011 0.000 1.313 180 A HN 0.694 nan 8.150 nan 0.000 0.423 181 D N -0.302 120.095 120.400 -0.005 0.000 2.363 181 D HA 0.232 4.871 4.640 -0.002 0.000 0.226 181 D C -0.458 175.840 176.300 -0.003 0.000 1.020 181 D CA 1.040 55.036 54.000 -0.006 0.000 0.892 181 D CB 0.235 41.034 40.800 -0.002 0.000 0.900 181 D HN 0.296 nan 8.370 nan 0.000 0.531 182 L N -0.231 120.993 121.223 0.002 0.000 3.481 182 L HA 0.176 4.514 4.340 -0.002 0.000 0.267 182 L C -2.029 174.859 176.870 0.028 0.000 0.972 182 L CA -0.494 54.352 54.840 0.009 0.000 1.150 182 L CB 1.418 43.482 42.059 0.008 0.000 1.902 182 L HN -0.321 nan 8.230 nan 0.000 0.561 183 V N 5.386 125.320 119.914 0.034 0.000 2.444 183 V HA 0.512 4.631 4.120 -0.002 0.000 0.294 183 V C -0.508 175.651 176.094 0.108 0.000 1.022 183 V CA -0.512 61.834 62.300 0.078 0.000 0.850 183 V CB 1.677 33.528 31.823 0.046 0.000 0.992 183 V HN 0.669 nan 8.190 nan 0.000 0.426 184 L N 5.851 127.169 121.223 0.158 0.000 2.288 184 L HA 0.786 5.125 4.340 -0.002 0.000 0.283 184 L C 0.353 177.369 176.870 0.243 0.000 1.072 184 L CA 0.236 55.159 54.840 0.138 0.000 0.862 184 L CB 0.281 42.388 42.059 0.079 0.000 1.245 184 L HN 0.758 nan 8.230 nan 0.000 0.432 185 A N 3.924 126.853 122.820 0.180 0.000 2.330 185 A HA 0.760 5.079 4.320 -0.002 0.000 0.329 185 A C -0.431 177.216 177.584 0.105 0.000 1.135 185 A CA -0.667 51.467 52.037 0.161 0.000 0.817 185 A CB 0.883 20.014 19.000 0.218 0.000 1.269 185 A HN 0.736 nan 8.150 nan 0.000 0.469 186 E N -0.243 119.974 120.200 0.029 0.000 2.280 186 E HA 0.610 4.958 4.350 -0.002 0.000 0.261 186 E C 0.308 176.931 176.600 0.038 0.000 1.088 186 E CA -0.226 56.200 56.400 0.044 0.000 0.915 186 E CB 1.028 30.663 29.700 -0.109 0.000 1.141 186 E HN 0.750 nan 8.360 nan 0.000 0.433 187 G N 0.347 109.190 108.800 0.071 0.000 5.302 187 G HA2 0.046 4.005 3.960 -0.002 0.000 0.223 187 G HA3 0.046 4.005 3.960 -0.002 0.000 0.223 187 G C 0.456 175.365 174.900 0.014 0.000 0.832 187 G CA -0.004 45.124 45.100 0.046 0.000 0.714 187 G HN 0.470 nan 8.290 nan 0.000 0.444 188 T N 0.249 114.799 114.554 -0.006 0.000 2.680 188 T HA -0.230 4.119 4.350 -0.002 0.000 0.268 188 T C 0.875 175.386 174.700 -0.317 0.000 1.033 188 T CA 1.428 63.409 62.100 -0.197 0.000 1.152 188 T CB -0.211 68.403 68.868 -0.423 0.000 0.859 188 T HN 0.378 nan 8.240 nan 0.000 0.452 189 Y N 0.475 120.739 120.300 -0.059 0.000 2.631 189 Y HA 0.530 5.079 4.550 -0.002 0.000 0.361 189 Y C 1.495 177.372 175.900 -0.039 0.000 0.941 189 Y CA -1.099 56.982 58.100 -0.032 0.000 1.327 189 Y CB 0.308 38.747 38.460 -0.034 0.000 1.299 189 Y HN 0.151 nan 8.280 nan 0.000 0.578 190 G N -0.422 108.410 108.800 0.054 0.000 2.920 190 G HA2 -0.133 3.826 3.960 -0.002 0.000 0.208 190 G HA3 -0.133 3.826 3.960 -0.002 0.000 0.208 190 G C 1.017 175.937 174.900 0.035 0.000 1.159 190 G CA 0.620 45.746 45.100 0.044 0.000 0.784 190 G HN 0.474 nan 8.290 nan 0.000 0.535 191 D N -0.209 120.212 120.400 0.036 0.000 2.277 191 D HA 0.022 4.661 4.640 -0.002 0.000 0.209 191 D C 1.177 177.503 176.300 0.044 0.000 0.970 191 D CA 0.177 54.197 54.000 0.034 0.000 0.874 191 D CB 0.260 41.077 40.800 0.028 0.000 0.982 191 D HN 0.336 nan 8.370 nan 0.000 0.504 192 R N -0.141 120.392 120.500 0.056 0.000 2.728 192 R HA 0.275 4.614 4.340 -0.002 0.000 0.259 192 R C -3.424 172.851 176.300 -0.041 0.000 1.057 192 R CA -1.146 54.973 56.100 0.031 0.000 0.908 192 R CB 0.270 30.602 30.300 0.055 0.000 1.259 192 R HN -0.159 nan 8.270 nan 0.000 0.472 193 P HA 0.209 nan 4.420 nan 0.000 0.288 193 P C -0.568 176.580 177.300 -0.255 0.000 1.291 193 P CA -0.097 62.894 63.100 -0.181 0.000 0.766 193 P CB 0.600 32.272 31.700 -0.047 0.000 1.242 194 H N -1.439 117.653 119.070 0.037 0.000 2.713 194 H HA 0.359 4.914 4.556 -0.002 0.000 0.340 194 H C 0.265 175.632 175.328 0.065 0.000 1.271 194 H CA -0.728 55.345 56.048 0.042 0.000 1.306 194 H CB 0.781 30.538 29.762 -0.008 0.000 1.839 194 H HN 0.330 nan 8.280 nan 0.000 0.627 195 R N 1.732 122.376 120.500 0.239 0.000 2.316 195 R HA 0.173 4.511 4.340 -0.002 0.000 0.314 195 R C -2.486 173.897 176.300 0.138 0.000 1.069 195 R CA -1.434 54.762 56.100 0.160 0.000 0.959 195 R CB -0.074 30.320 30.300 0.157 0.000 0.987 195 R HN 0.250 nan 8.270 nan 0.000 0.446 196 P HA -0.184 nan 4.420 nan 0.000 0.257 196 P C -0.418 176.933 177.300 0.085 0.000 1.153 196 P CA 0.729 63.887 63.100 0.097 0.000 0.762 196 P CB 0.134 31.875 31.700 0.069 0.000 0.743 197 Y N 5.322 125.600 120.300 -0.036 0.000 2.151 197 Y HA -0.363 4.186 4.550 -0.002 0.000 0.284 197 Y C 2.254 178.104 175.900 -0.084 0.000 1.166 197 Y CA 1.494 59.525 58.100 -0.115 0.000 1.163 197 Y CB 0.017 38.390 38.460 -0.144 0.000 0.974 197 Y HN 0.249 nan 8.280 nan 0.000 0.511 198 R N 0.608 121.096 120.500 -0.021 0.000 2.136 198 R HA -0.264 4.075 4.340 -0.002 0.000 0.242 198 R C 2.169 178.399 176.300 -0.117 0.000 1.131 198 R CA 2.351 58.417 56.100 -0.057 0.000 0.937 198 R CB -1.180 29.132 30.300 0.019 0.000 0.863 198 R HN 0.742 nan 8.270 nan 0.000 0.435 199 E N -0.379 119.783 120.200 -0.064 0.000 2.158 199 E HA -0.062 4.287 4.350 -0.002 0.000 0.191 199 E C 1.559 178.132 176.600 -0.044 0.000 0.982 199 E CA 1.305 57.681 56.400 -0.040 0.000 0.823 199 E CB -0.425 29.277 29.700 0.004 0.000 0.766 199 E HN 0.138 nan 8.360 nan 0.000 0.468 200 T N 1.211 115.721 114.554 -0.074 0.000 2.803 200 T HA -0.123 4.226 4.350 -0.002 0.000 0.269 200 T C 2.008 176.720 174.700 0.019 0.000 1.052 200 T CA 1.432 63.533 62.100 0.002 0.000 1.136 200 T CB -0.191 68.653 68.868 -0.039 0.000 0.864 200 T HN 0.051 nan 8.240 nan 0.000 0.467 201 V N 1.435 121.180 119.914 -0.281 0.000 2.323 201 V HA -0.132 3.987 4.120 -0.002 0.000 0.244 201 V C 2.644 178.722 176.094 -0.026 0.000 1.041 201 V CA 1.437 63.612 62.300 -0.209 0.000 1.025 201 V CB -0.528 31.017 31.823 -0.464 0.000 0.656 201 V HN 0.397 nan 8.190 nan 0.000 0.451 202 R N 0.153 120.606 120.500 -0.078 0.000 2.080 202 R HA -0.241 4.097 4.340 -0.002 0.000 0.236 202 R C 2.372 178.664 176.300 -0.013 0.000 1.137 202 R CA 1.990 58.057 56.100 -0.054 0.000 0.943 202 R CB -0.472 29.802 30.300 -0.042 0.000 0.846 202 R HN 0.625 nan 8.270 nan 0.000 0.431 203 E N 0.298 120.513 120.200 0.025 0.000 2.153 203 E HA -0.205 4.144 4.350 -0.002 0.000 0.194 203 E C 1.706 178.324 176.600 0.029 0.000 0.988 203 E CA 0.887 57.302 56.400 0.024 0.000 0.811 203 E CB -0.097 29.637 29.700 0.057 0.000 0.746 203 E HN 0.302 nan 8.360 nan 0.000 0.466 204 F N 0.672 120.610 119.950 -0.020 0.000 2.234 204 F HA -0.077 4.449 4.527 -0.002 0.000 0.299 204 F C 1.705 177.456 175.800 -0.082 0.000 1.087 204 F CA 0.902 58.883 58.000 -0.032 0.000 1.340 204 F CB 0.137 39.207 39.000 0.117 0.000 1.031 204 F HN -0.005 nan 8.300 nan 0.000 0.500 205 L N 0.034 121.203 121.223 -0.091 0.000 2.072 205 L HA -0.144 4.195 4.340 -0.002 0.000 0.205 205 L C 2.305 179.045 176.870 -0.216 0.000 1.079 205 L CA 1.313 56.040 54.840 -0.188 0.000 0.752 205 L CB -0.760 41.221 42.059 -0.130 0.000 0.906 205 L HN 0.118 nan 8.230 nan 0.000 0.436 206 E N 0.660 120.762 120.200 -0.163 0.000 2.035 206 E HA -0.278 4.070 4.350 -0.002 0.000 0.204 206 E C 2.162 178.639 176.600 -0.206 0.000 1.025 206 E CA 1.795 58.106 56.400 -0.148 0.000 0.835 206 E CB -0.324 29.307 29.700 -0.114 0.000 0.764 206 E HN 0.390 nan 8.360 nan 0.000 0.457 207 I N 1.207 121.600 120.570 -0.295 0.000 2.065 207 I HA -0.390 3.779 4.170 -0.002 0.000 0.236 207 I C 2.574 178.507 176.117 -0.307 0.000 1.028 207 I CA 1.401 62.477 61.300 -0.374 0.000 1.299 207 I CB -0.631 37.024 38.000 -0.575 0.000 1.015 207 I HN 0.143 nan 8.210 nan 0.000 0.396 208 L N 0.275 121.251 121.223 -0.411 0.000 2.026 208 L HA -0.347 3.992 4.340 -0.002 0.000 0.231 208 L C 2.647 179.399 176.870 -0.197 0.000 1.095 208 L CA 2.071 56.709 54.840 -0.338 0.000 0.810 208 L CB -0.934 40.877 42.059 -0.413 0.000 0.909 208 L HN 0.360 nan 8.230 nan 0.000 0.444 209 E N -0.370 119.728 120.200 -0.170 0.000 2.077 209 E HA -0.268 4.080 4.350 -0.002 0.000 0.193 209 E C 2.049 178.597 176.600 -0.088 0.000 0.989 209 E CA 1.179 57.513 56.400 -0.109 0.000 0.800 209 E CB -0.107 29.538 29.700 -0.092 0.000 0.746 209 E HN 0.257 nan 8.360 nan 0.000 0.452 210 K N 0.974 121.315 120.400 -0.098 0.000 2.015 210 K HA -0.198 4.121 4.320 -0.002 0.000 0.216 210 K C 2.193 178.763 176.600 -0.049 0.000 1.052 210 K CA 2.453 58.699 56.287 -0.068 0.000 0.937 210 K CB -0.745 31.711 32.500 -0.074 0.000 0.719 210 K HN 0.273 nan 8.250 nan 0.000 0.446 211 T N -1.789 112.732 114.554 -0.055 0.000 3.067 211 T HA 0.096 4.445 4.350 -0.002 0.000 0.257 211 T C 1.956 176.632 174.700 -0.040 0.000 1.105 211 T CA 0.505 62.584 62.100 -0.035 0.000 1.104 211 T CB -0.106 68.747 68.868 -0.024 0.000 0.925 211 T HN 0.147 nan 8.240 nan 0.000 0.498 212 L N 0.957 122.147 121.223 -0.054 0.000 2.068 212 L HA 0.022 4.361 4.340 -0.002 0.000 0.204 212 L C 3.023 179.874 176.870 -0.033 0.000 1.076 212 L CA 1.018 55.831 54.840 -0.045 0.000 0.753 212 L CB -0.530 41.495 42.059 -0.058 0.000 0.910 212 L HN 0.271 nan 8.230 nan 0.000 0.439 213 S N -0.070 115.609 115.700 -0.036 0.000 2.400 213 S HA -0.229 4.240 4.470 -0.002 0.000 0.232 213 S C 1.504 176.092 174.600 -0.020 0.000 1.025 213 S CA 1.309 59.493 58.200 -0.027 0.000 0.993 213 S CB -0.312 62.871 63.200 -0.028 0.000 0.808 213 S HN 0.569 nan 8.310 nan 0.000 0.478 214 Q N 0.411 120.200 119.800 -0.020 0.000 2.228 214 Q HA 0.421 4.760 4.340 -0.002 0.000 0.211 214 Q C 1.035 177.028 176.000 -0.012 0.000 0.890 214 Q CA 0.376 56.171 55.803 -0.014 0.000 0.953 214 Q CB -0.268 28.463 28.738 -0.012 0.000 1.053 214 Q HN 0.365 nan 8.270 nan 0.000 0.471 215 G N 0.078 108.870 108.800 -0.013 0.000 2.196 215 G HA2 -0.334 3.625 3.960 -0.002 0.000 0.268 215 G HA3 -0.334 3.625 3.960 -0.002 0.000 0.268 215 G C 0.462 175.356 174.900 -0.010 0.000 0.975 215 G CA 0.033 45.127 45.100 -0.009 0.000 0.648 215 G HN 0.748 nan 8.290 nan 0.000 0.538 216 G N -0.652 108.140 108.800 -0.013 0.000 2.616 216 G HA2 0.550 4.509 3.960 -0.002 0.000 0.268 216 G HA3 0.550 4.509 3.960 -0.002 0.000 0.268 216 G C 0.226 175.115 174.900 -0.019 0.000 1.213 216 G CA -0.099 44.993 45.100 -0.014 0.000 0.926 216 G HN 0.497 nan 8.290 nan 0.000 0.523 217 K N -1.639 118.748 120.400 -0.023 0.000 2.177 217 K HA 0.615 4.933 4.320 -0.002 0.000 0.238 217 K C -1.013 175.561 176.600 -0.044 0.000 1.015 217 K CA -0.699 55.569 56.287 -0.031 0.000 0.922 217 K CB 2.106 34.582 32.500 -0.041 0.000 1.127 217 K HN 0.156 nan 8.250 nan 0.000 0.469 218 V N 2.641 122.522 119.914 -0.055 0.000 2.445 218 V HA 0.199 4.318 4.120 -0.002 0.000 0.283 218 V C -1.344 174.700 176.094 -0.083 0.000 1.014 218 V CA -0.852 61.406 62.300 -0.070 0.000 0.852 218 V CB 0.997 32.770 31.823 -0.082 0.000 1.021 218 V HN 0.459 nan 8.190 nan 0.000 0.435 219 L N 6.070 127.231 121.223 -0.104 0.000 2.265 219 L HA 0.539 4.878 4.340 -0.002 0.000 0.288 219 L C -0.092 176.698 176.870 -0.135 0.000 1.058 219 L CA 0.186 54.948 54.840 -0.130 0.000 0.809 219 L CB 0.958 42.946 42.059 -0.118 0.000 1.179 219 L HN 0.466 nan 8.230 nan 0.000 0.429 220 I N 6.114 126.628 120.570 -0.094 0.000 2.464 220 I HA 0.286 4.455 4.170 -0.002 0.000 0.277 220 I C -2.214 173.873 176.117 -0.049 0.000 1.040 220 I CA -1.647 59.614 61.300 -0.064 0.000 1.153 220 I CB 1.748 39.760 38.000 0.019 0.000 1.274 220 I HN 0.395 nan 8.210 nan 0.000 0.469 221 P HA 0.196 nan 4.420 nan 0.000 0.281 221 P C -0.570 176.715 177.300 -0.025 0.000 1.286 221 P CA 0.079 63.162 63.100 -0.028 0.000 0.772 221 P CB 1.049 32.760 31.700 0.019 0.000 0.862 222 T N 0.159 114.675 114.554 -0.063 0.000 2.883 222 T HA 0.578 4.927 4.350 -0.002 0.000 0.301 222 T C -0.301 174.333 174.700 -0.109 0.000 1.158 222 T CA -0.729 61.348 62.100 -0.038 0.000 1.007 222 T CB 0.578 69.495 68.868 0.080 0.000 1.186 222 T HN -0.027 nan 8.240 nan 0.000 0.499 223 F N 1.077 121.084 119.950 0.095 0.000 2.443 223 F HA 0.535 5.061 4.527 -0.002 0.000 0.353 223 F C 1.784 177.617 175.800 0.054 0.000 1.101 223 F CA -0.572 57.479 58.000 0.085 0.000 1.226 223 F CB 0.546 39.606 39.000 0.100 0.000 1.140 223 F HN 0.883 nan 8.300 nan 0.000 0.557 224 A N 2.608 125.543 122.820 0.193 0.000 2.066 224 A HA -0.002 4.316 4.320 -0.002 0.000 0.218 224 A C 2.027 179.659 177.584 0.080 0.000 1.157 224 A CA 0.985 53.084 52.037 0.102 0.000 0.670 224 A CB -0.684 18.359 19.000 0.073 0.000 0.804 224 A HN 0.638 nan 8.150 nan 0.000 0.453 225 V N -0.532 119.455 119.914 0.122 0.000 2.244 225 V HA -0.157 3.962 4.120 -0.002 0.000 0.244 225 V C 2.420 178.551 176.094 0.061 0.000 1.042 225 V CA 2.330 64.675 62.300 0.076 0.000 1.006 225 V CB -0.170 31.695 31.823 0.069 0.000 0.641 225 V HN 0.726 nan 8.190 nan 0.000 0.446 226 E N -1.663 118.574 120.200 0.063 0.000 2.555 226 E HA 0.029 4.378 4.350 -0.002 0.000 0.209 226 E C 2.157 178.808 176.600 0.086 0.000 0.847 226 E CA -0.161 56.291 56.400 0.086 0.000 1.438 226 E CB 0.362 30.079 29.700 0.029 0.000 1.420 226 E HN 0.206 nan 8.360 nan 0.000 0.755 227 R N 1.497 122.064 120.500 0.112 0.000 2.073 227 R HA 0.047 4.385 4.340 -0.002 0.000 0.234 227 R C 2.180 178.567 176.300 0.145 0.000 1.134 227 R CA 1.966 58.163 56.100 0.162 0.000 0.952 227 R CB -0.877 29.586 30.300 0.272 0.000 0.850 227 R HN 0.191 nan 8.270 nan 0.000 0.433 228 A N 1.127 124.013 122.820 0.111 0.000 1.873 228 A HA -0.254 4.065 4.320 -0.002 0.000 0.218 228 A C 1.931 179.551 177.584 0.060 0.000 1.193 228 A CA 1.994 54.074 52.037 0.072 0.000 0.629 228 A CB -0.691 18.330 19.000 0.035 0.000 0.826 228 A HN 0.506 nan 8.150 nan 0.000 0.447 229 Q N -0.196 119.589 119.800 -0.025 0.000 2.170 229 Q HA -0.219 4.119 4.340 -0.002 0.000 0.203 229 Q C 1.778 177.913 176.000 0.224 0.000 0.976 229 Q CA 1.632 57.404 55.803 -0.052 0.000 0.858 229 Q CB -0.653 27.748 28.738 -0.561 0.000 0.907 229 Q HN 0.887 nan 8.270 nan 0.000 0.433 230 E N 0.657 120.996 120.200 0.232 0.000 2.110 230 E HA -0.148 4.201 4.350 -0.002 0.000 0.193 230 E C 1.904 178.732 176.600 0.380 0.000 0.988 230 E CA 0.694 57.301 56.400 0.346 0.000 0.804 230 E CB 0.157 30.004 29.700 0.245 0.000 0.745 230 E HN 0.249 nan 8.360 nan 0.000 0.458 231 I N 1.229 121.964 120.570 0.274 0.000 2.252 231 I HA -0.242 3.927 4.170 -0.002 0.000 0.245 231 I C 2.440 178.713 176.117 0.259 0.000 1.102 231 I CA 0.962 62.398 61.300 0.225 0.000 1.385 231 I CB -1.052 37.016 38.000 0.113 0.000 1.064 231 I HN 0.274 nan 8.210 nan 0.000 0.414 232 L N -0.546 120.828 121.223 0.250 0.000 2.127 232 L HA -0.270 4.068 4.340 -0.002 0.000 0.211 232 L C 2.689 179.721 176.870 0.270 0.000 1.089 232 L CA 1.441 56.422 54.840 0.234 0.000 0.757 232 L CB -0.852 41.336 42.059 0.215 0.000 0.899 232 L HN 0.203 nan 8.230 nan 0.000 0.434 233 Y N 0.169 120.597 120.300 0.213 0.000 2.263 233 Y HA -0.150 4.399 4.550 -0.002 0.000 0.292 233 Y C 2.302 178.286 175.900 0.140 0.000 1.130 233 Y CA 1.206 59.352 58.100 0.077 0.000 1.179 233 Y CB -0.039 38.458 38.460 0.062 0.000 0.998 233 Y HN -0.150 nan 8.280 nan 0.000 0.532 234 V N 0.328 120.400 119.914 0.263 0.000 2.667 234 V HA -0.260 3.858 4.120 -0.002 0.000 0.252 234 V C 2.246 178.483 176.094 0.239 0.000 1.065 234 V CA 1.560 64.031 62.300 0.284 0.000 1.083 234 V CB -0.570 31.482 31.823 0.382 0.000 0.692 234 V HN 0.406 nan 8.190 nan 0.000 0.468 235 L N -1.197 120.139 121.223 0.188 0.000 2.034 235 L HA -0.128 4.211 4.340 -0.002 0.000 0.203 235 L C 2.510 179.379 176.870 -0.002 0.000 1.074 235 L CA 1.954 56.867 54.840 0.121 0.000 0.748 235 L CB -0.817 41.318 42.059 0.127 0.000 0.905 235 L HN 0.334 nan 8.230 nan 0.000 0.439 236 Y N 1.626 121.844 120.300 -0.136 0.000 2.241 236 Y HA -0.327 4.222 4.550 -0.002 0.000 0.286 236 Y C 2.765 178.455 175.900 -0.349 0.000 1.166 236 Y CA 2.177 60.136 58.100 -0.236 0.000 1.203 236 Y CB -0.182 38.110 38.460 -0.280 0.000 0.977 236 Y HN 0.315 nan 8.280 nan 0.000 0.529 237 T N -4.000 110.371 114.554 -0.306 0.000 3.081 237 T HA -0.016 4.333 4.350 -0.002 0.000 0.255 237 T C 0.950 175.268 174.700 -0.638 0.000 1.113 237 T CA 1.003 62.801 62.100 -0.503 0.000 1.082 237 T CB -0.207 68.260 68.868 -0.668 0.000 0.939 237 T HN 0.484 nan 8.240 nan 0.000 0.506 238 H N -0.330 118.582 119.070 -0.263 0.000 2.916 238 H HA 0.402 4.957 4.556 -0.002 0.000 0.262 238 H C 1.929 176.916 175.328 -0.569 0.000 1.178 238 H CA -0.002 55.761 56.048 -0.475 0.000 1.090 238 H CB 0.442 30.041 29.762 -0.272 0.000 1.657 238 H HN 0.483 nan 8.280 nan 0.000 0.601 239 G N 0.907 109.530 108.800 -0.296 0.000 2.807 239 G HA2 -0.214 3.744 3.960 -0.002 0.000 0.207 239 G HA3 -0.214 3.744 3.960 -0.002 0.000 0.207 239 G C 1.271 176.062 174.900 -0.182 0.000 1.151 239 G CA 0.466 45.434 45.100 -0.220 0.000 0.800 239 G HN 0.518 nan 8.290 nan 0.000 0.523 240 H N -0.070 118.953 119.070 -0.079 0.000 2.482 240 H HA 0.078 4.632 4.556 -0.002 0.000 0.286 240 H C 2.268 177.572 175.328 -0.040 0.000 1.017 240 H CA 1.065 57.071 56.048 -0.071 0.000 1.322 240 H CB -0.197 29.522 29.762 -0.072 0.000 1.426 240 H HN 0.494 nan 8.280 nan 0.000 0.546 241 R N 1.028 121.534 120.500 0.011 0.000 2.191 241 R HA 0.227 4.566 4.340 -0.002 0.000 0.196 241 R C 0.262 176.543 176.300 -0.032 0.000 0.991 241 R CA -0.109 56.037 56.100 0.077 0.000 1.075 241 R CB -0.175 30.179 30.300 0.090 0.000 1.040 241 R HN 0.132 nan 8.270 nan 0.000 0.526 242 L N 5.207 126.372 121.223 -0.096 0.000 2.698 242 L HA 0.153 4.491 4.340 -0.002 0.000 0.272 242 L C -1.772 175.062 176.870 -0.061 0.000 1.154 242 L CA -1.574 53.215 54.840 -0.085 0.000 0.964 242 L CB -0.337 41.666 42.059 -0.093 0.000 1.272 242 L HN 0.101 nan 8.230 nan 0.000 0.483 243 P HA -0.016 nan 4.420 nan 0.000 0.267 243 P C -0.296 176.981 177.300 -0.038 0.000 1.201 243 P CA -0.369 62.708 63.100 -0.037 0.000 0.775 243 P CB 0.388 32.067 31.700 -0.034 0.000 0.854 244 R N 1.029 121.510 120.500 -0.032 0.000 2.619 244 R HA 0.354 4.693 4.340 -0.002 0.000 0.268 244 R C 0.398 176.684 176.300 -0.023 0.000 0.990 244 R CA 0.540 56.622 56.100 -0.030 0.000 1.092 244 R CB -1.140 29.145 30.300 -0.024 0.000 0.935 244 R HN 0.752 nan 8.270 nan 0.000 0.415 245 A N 3.624 126.431 122.820 -0.023 0.000 2.449 245 A HA 0.252 4.570 4.320 -0.002 0.000 0.304 245 A C -2.678 174.897 177.584 -0.016 0.000 1.004 245 A CA -1.272 50.763 52.037 -0.003 0.000 0.871 245 A CB 0.675 19.675 19.000 -0.000 0.000 1.092 245 A HN 0.521 nan 8.150 nan 0.000 0.364 246 P HA 0.465 nan 4.420 nan 0.000 0.269 246 P C -0.598 176.587 177.300 -0.192 0.000 1.209 246 P CA 0.260 63.273 63.100 -0.146 0.000 0.776 246 P CB 0.538 32.150 31.700 -0.147 0.000 0.876 247 I N 2.632 122.988 120.570 -0.356 0.000 2.389 247 I HA 0.285 4.453 4.170 -0.002 0.000 0.288 247 I C -0.407 175.485 176.117 -0.375 0.000 0.999 247 I CA -0.925 60.252 61.300 -0.204 0.000 1.129 247 I CB 0.947 38.897 38.000 -0.084 0.000 1.288 247 I HN 0.239 nan 8.210 nan 0.000 0.444 248 Y N 5.831 126.125 120.300 -0.010 0.000 2.352 248 Y HA 0.399 4.948 4.550 -0.002 0.000 0.339 248 Y C -0.135 175.763 175.900 -0.003 0.000 0.992 248 Y CA -1.025 57.072 58.100 -0.005 0.000 1.100 248 Y CB 1.639 40.089 38.460 -0.017 0.000 1.192 248 Y HN 0.362 nan 8.280 nan 0.000 0.458 249 L N 4.821 126.124 121.223 0.133 0.000 2.417 249 L HA 0.249 4.588 4.340 -0.002 0.000 0.258 249 L C -0.227 176.706 176.870 0.105 0.000 1.088 249 L CA 0.040 54.934 54.840 0.090 0.000 0.975 249 L CB -0.107 41.983 42.059 0.051 0.000 1.341 249 L HN 0.754 nan 8.230 nan 0.000 0.431 250 D N 2.187 122.659 120.400 0.120 0.000 2.608 250 D HA 0.061 4.699 4.640 -0.002 0.000 0.224 250 D C -0.451 175.910 176.300 0.101 0.000 1.123 250 D CA 0.473 54.554 54.000 0.135 0.000 1.030 250 D CB 0.292 41.210 40.800 0.197 0.000 1.093 250 D HN 0.386 nan 8.370 nan 0.000 0.497 251 S N 2.796 118.542 115.700 0.077 0.000 2.382 251 S HA 0.295 4.764 4.470 -0.002 0.000 0.228 251 S C -2.144 172.481 174.600 0.042 0.000 0.996 251 S CA -0.928 57.304 58.200 0.055 0.000 1.094 251 S CB 1.368 64.593 63.200 0.041 0.000 1.209 251 S HN -0.018 nan 8.310 nan 0.000 0.420 252 P HA -0.179 nan 4.420 nan 0.000 0.217 252 P C 1.513 178.824 177.300 0.017 0.000 1.151 252 P CA 1.229 64.345 63.100 0.027 0.000 0.849 252 P CB 0.096 31.807 31.700 0.018 0.000 0.787 253 M N -0.991 118.622 119.600 0.021 0.000 2.081 253 M HA -0.075 4.404 4.480 -0.002 0.000 0.261 253 M C 2.024 178.329 176.300 0.008 0.000 1.075 253 M CA 2.008 57.320 55.300 0.019 0.000 1.133 253 M CB -0.568 32.052 32.600 0.033 0.000 1.330 253 M HN -0.135 nan 8.290 nan 0.000 0.414 254 A N 0.262 123.086 122.820 0.007 0.000 2.042 254 A HA -0.149 4.169 4.320 -0.002 0.000 0.222 254 A C 2.183 179.739 177.584 -0.047 0.000 1.167 254 A CA 1.997 54.020 52.037 -0.022 0.000 0.649 254 A CB -1.760 17.234 19.000 -0.009 0.000 0.809 254 A HN 0.712 nan 8.150 nan 0.000 0.457 255 G N -0.642 108.148 108.800 -0.017 0.000 2.402 255 G HA2 -0.204 3.755 3.960 -0.002 0.000 0.216 255 G HA3 -0.204 3.755 3.960 -0.002 0.000 0.216 255 G C 1.731 176.620 174.900 -0.018 0.000 1.162 255 G CA 0.782 45.874 45.100 -0.014 0.000 0.777 255 G HN 0.607 nan 8.290 nan 0.000 0.539 256 R N -0.127 120.367 120.500 -0.009 0.000 2.096 256 R HA -0.011 4.327 4.340 -0.002 0.000 0.235 256 R C 2.584 178.881 176.300 -0.005 0.000 1.127 256 R CA 1.061 57.160 56.100 -0.001 0.000 0.968 256 R CB -0.495 29.808 30.300 0.005 0.000 0.861 256 R HN 0.311 nan 8.270 nan 0.000 0.440 257 V N 1.306 121.200 119.914 -0.033 0.000 2.307 257 V HA -0.201 3.918 4.120 -0.002 0.000 0.245 257 V C 2.161 178.154 176.094 -0.168 0.000 1.045 257 V CA 1.356 63.619 62.300 -0.060 0.000 1.024 257 V CB -0.432 31.331 31.823 -0.101 0.000 0.651 257 V HN 0.202 nan 8.190 nan 0.000 0.449 258 L N 0.042 121.125 121.223 -0.233 0.000 2.131 258 L HA -0.115 4.223 4.340 -0.002 0.000 0.210 258 L C 2.425 179.268 176.870 -0.046 0.000 1.092 258 L CA 1.920 56.599 54.840 -0.268 0.000 0.759 258 L CB -0.611 41.355 42.059 -0.156 0.000 0.903 258 L HN 0.254 nan 8.230 nan 0.000 0.435 259 S N -0.952 114.750 115.700 0.003 0.000 2.406 259 S HA -0.087 4.382 4.470 -0.002 0.000 0.228 259 S C 1.740 176.400 174.600 0.099 0.000 1.020 259 S CA 1.164 59.398 58.200 0.057 0.000 0.965 259 S CB -0.272 62.951 63.200 0.039 0.000 0.798 259 S HN 0.402 nan 8.310 nan 0.000 0.488 260 L N 0.430 121.719 121.223 0.111 0.000 2.179 260 L HA 0.128 4.466 4.340 -0.002 0.000 0.208 260 L C 1.681 178.691 176.870 0.234 0.000 1.096 260 L CA 1.384 56.307 54.840 0.140 0.000 0.779 260 L CB -0.637 41.491 42.059 0.115 0.000 0.922 260 L HN 0.342 nan 8.230 nan 0.000 0.443 261 Y N 0.245 120.569 120.300 0.040 0.000 2.096 261 Y HA -0.318 4.231 4.550 -0.002 0.000 0.278 261 Y C -0.161 175.842 175.900 0.173 0.000 1.192 261 Y CA 1.620 59.794 58.100 0.122 0.000 1.143 261 Y CB -1.626 36.807 38.460 -0.045 0.000 0.963 261 Y HN 0.277 nan 8.280 nan 0.000 0.505 262 P HA -0.217 nan 4.420 nan 0.000 0.216 262 P C 1.209 178.480 177.300 -0.048 0.000 1.150 262 P CA 1.838 65.024 63.100 0.144 0.000 0.843 262 P CB -0.111 31.745 31.700 0.260 0.000 0.787 263 R N -0.593 119.923 120.500 0.028 0.000 2.148 263 R HA -0.026 4.312 4.340 -0.002 0.000 0.223 263 R C 0.929 177.212 176.300 -0.028 0.000 1.088 263 R CA 0.863 56.960 56.100 -0.005 0.000 0.985 263 R CB -0.437 29.876 30.300 0.021 0.000 0.880 263 R HN 0.094 nan 8.270 nan 0.000 0.451 264 L N 0.679 121.882 121.223 -0.032 0.000 2.629 264 L HA 0.014 4.353 4.340 -0.002 0.000 0.230 264 L C 1.706 178.486 176.870 -0.150 0.000 1.151 264 L CA 0.531 55.340 54.840 -0.052 0.000 0.924 264 L CB -0.184 41.711 42.059 -0.274 0.000 1.137 264 L HN 0.015 nan 8.230 nan 0.000 0.457 265 V N 1.616 121.423 119.914 -0.179 0.000 2.313 265 V HA -0.365 3.754 4.120 -0.002 0.000 0.253 265 V C 2.789 178.804 176.094 -0.133 0.000 1.070 265 V CA 2.561 64.723 62.300 -0.229 0.000 1.057 265 V CB -0.268 31.220 31.823 -0.557 0.000 0.653 265 V HN 0.775 nan 8.190 nan 0.000 0.450 266 R N -1.601 118.749 120.500 -0.250 0.000 2.241 266 R HA -0.149 4.190 4.340 -0.002 0.000 0.224 266 R C 1.755 177.765 176.300 -0.484 0.000 1.101 266 R CA 2.107 57.991 56.100 -0.360 0.000 0.995 266 R CB -0.683 29.324 30.300 -0.488 0.000 0.870 266 R HN 0.605 nan 8.270 nan 0.000 0.463 267 Y N -0.180 119.883 120.300 -0.396 0.000 2.466 267 Y HA 0.257 4.806 4.550 -0.002 0.000 0.272 267 Y C 0.115 175.666 175.900 -0.582 0.000 1.169 267 Y CA -0.381 57.422 58.100 -0.494 0.000 1.285 267 Y CB 0.149 38.231 38.460 -0.630 0.000 1.078 267 Y HN -0.097 nan 8.280 nan 0.000 0.523 268 F N -0.907 119.026 119.950 -0.028 0.000 2.452 268 F HA 0.398 4.923 4.527 -0.002 0.000 0.353 268 F C 1.032 176.799 175.800 -0.056 0.000 1.089 268 F CA -1.767 56.208 58.000 -0.042 0.000 1.080 268 F CB 0.003 39.013 39.000 0.017 0.000 1.399 268 F HN -0.294 nan 8.300 nan 0.000 0.492 269 S N 0.005 115.807 115.700 0.170 0.000 2.589 269 S HA 0.071 4.540 4.470 -0.002 0.000 0.265 269 S C 0.848 175.471 174.600 0.038 0.000 1.342 269 S CA -0.600 57.626 58.200 0.045 0.000 1.005 269 S CB 0.644 63.843 63.200 -0.001 0.000 0.909 269 S HN 0.554 nan 8.310 nan 0.000 0.555 270 E N 0.987 121.187 120.200 0.001 0.000 2.085 270 E HA -0.210 4.138 4.350 -0.002 0.000 0.194 270 E C 1.892 178.478 176.600 -0.023 0.000 0.994 270 E CA 1.583 57.980 56.400 -0.005 0.000 0.801 270 E CB -0.535 29.155 29.700 -0.016 0.000 0.743 270 E HN 0.931 nan 8.360 nan 0.000 0.453 271 E N 0.845 121.011 120.200 -0.055 0.000 2.023 271 E HA -0.171 4.178 4.350 -0.002 0.000 0.196 271 E C 2.193 178.655 176.600 -0.229 0.000 1.003 271 E CA 1.583 57.893 56.400 -0.149 0.000 0.809 271 E CB 0.068 29.708 29.700 -0.100 0.000 0.755 271 E HN 0.017 nan 8.360 nan 0.000 0.449 272 V N 1.223 121.078 119.914 -0.099 0.000 2.392 272 V HA -0.294 3.825 4.120 -0.002 0.000 0.249 272 V C 2.464 178.669 176.094 0.185 0.000 1.059 272 V CA 2.186 64.470 62.300 -0.026 0.000 1.051 272 V CB -0.558 31.219 31.823 -0.077 0.000 0.658 272 V HN 0.358 nan 8.190 nan 0.000 0.455 273 Q N -0.521 119.390 119.800 0.184 0.000 2.119 273 Q HA -0.106 4.232 4.340 -0.002 0.000 0.201 273 Q C 2.432 178.541 176.000 0.182 0.000 0.972 273 Q CA 1.505 57.452 55.803 0.241 0.000 0.847 273 Q CB -0.360 28.456 28.738 0.129 0.000 0.903 273 Q HN 0.676 nan 8.270 nan 0.000 0.433 274 A N 0.440 123.294 122.820 0.057 0.000 1.972 274 A HA -0.221 4.097 4.320 -0.002 0.000 0.219 274 A C 1.485 179.133 177.584 0.107 0.000 1.169 274 A CA 1.438 53.498 52.037 0.039 0.000 0.635 274 A CB -0.685 18.292 19.000 -0.038 0.000 0.810 274 A HN 0.429 nan 8.150 nan 0.000 0.446 275 H N -2.683 116.418 119.070 0.053 0.000 2.333 275 H HA -0.057 4.498 4.556 -0.002 0.000 0.302 275 H C 1.819 177.113 175.328 -0.057 0.000 1.075 275 H CA 1.331 57.354 56.048 -0.042 0.000 1.348 275 H CB -0.141 29.530 29.762 -0.152 0.000 1.393 275 H HN 0.528 nan 8.280 nan 0.000 0.509 276 F N 0.316 120.348 119.950 0.136 0.000 2.161 276 F HA -0.194 4.331 4.527 -0.002 0.000 0.300 276 F C 2.319 178.163 175.800 0.074 0.000 1.089 276 F CA 0.741 58.795 58.000 0.089 0.000 1.282 276 F CB -0.298 38.764 39.000 0.103 0.000 1.010 276 F HN 0.114 nan 8.300 nan 0.000 0.485 277 L N 0.004 121.381 121.223 0.256 0.000 2.131 277 L HA -0.197 4.141 4.340 -0.002 0.000 0.210 277 L C 2.059 179.000 176.870 0.117 0.000 1.092 277 L CA 1.635 56.569 54.840 0.157 0.000 0.759 277 L CB -0.794 41.334 42.059 0.114 0.000 0.903 277 L HN 0.041 nan 8.230 nan 0.000 0.435 278 Q N 0.121 119.987 119.800 0.111 0.000 2.500 278 Q HA 0.117 4.456 4.340 -0.002 0.000 0.213 278 Q C 1.410 177.447 176.000 0.061 0.000 0.974 278 Q CA 0.924 56.773 55.803 0.077 0.000 0.918 278 Q CB -0.241 28.542 28.738 0.075 0.000 0.980 278 Q HN 0.625 nan 8.270 nan 0.000 0.505 279 G N 0.432 109.280 108.800 0.080 0.000 2.132 279 G HA2 -0.296 3.663 3.960 -0.002 0.000 0.234 279 G HA3 -0.296 3.663 3.960 -0.002 0.000 0.234 279 G C -0.379 174.541 174.900 0.033 0.000 0.989 279 G CA 0.318 45.461 45.100 0.073 0.000 0.676 279 G HN 0.382 nan 8.290 nan 0.000 0.522 280 K N -0.400 119.982 120.400 -0.030 0.000 2.413 280 K HA 0.570 4.889 4.320 -0.002 0.000 0.257 280 K C -0.643 175.732 176.600 -0.374 0.000 0.946 280 K CA -1.218 55.002 56.287 -0.111 0.000 0.823 280 K CB 1.664 34.132 32.500 -0.053 0.000 1.109 280 K HN -0.019 nan 8.250 nan 0.000 0.427 281 N N 4.982 123.461 118.700 -0.368 0.000 2.399 281 N HA 0.060 4.799 4.740 -0.002 0.000 0.259 281 N C -1.790 173.145 175.510 -0.957 0.000 1.160 281 N CA -1.972 50.720 53.050 -0.596 0.000 0.946 281 N CB 0.764 39.158 38.487 -0.154 0.000 1.156 281 N HN 0.511 nan 8.380 nan 0.000 0.489 282 P HA 0.066 nan 4.420 nan 0.000 0.258 282 P C -0.416 176.177 177.300 -1.180 0.000 1.403 282 P CA 0.250 62.291 63.100 -1.764 0.000 0.826 282 P CB -0.350 30.748 31.700 -1.003 0.000 1.414 283 F N -0.125 119.565 119.950 -0.435 0.000 2.764 283 F HA 0.362 4.888 4.527 -0.002 0.000 0.310 283 F C 0.959 176.711 175.800 -0.080 0.000 1.124 283 F CA -0.275 57.660 58.000 -0.109 0.000 1.252 283 F CB 0.672 39.674 39.000 0.004 0.000 1.010 283 F HN -0.236 nan 8.300 nan 0.000 0.518 284 R N 1.461 121.956 120.500 -0.007 0.000 2.818 284 R HA 0.227 4.566 4.340 -0.002 0.000 0.258 284 R C -2.717 173.716 176.300 0.222 0.000 1.797 284 R CA -1.428 54.726 56.100 0.090 0.000 1.532 284 R CB 1.164 31.499 30.300 0.058 0.000 1.413 284 R HN -0.099 nan 8.270 nan 0.000 0.622 285 P HA -0.010 nan 4.420 nan 0.000 0.271 285 P C -0.401 176.930 177.300 0.051 0.000 1.238 285 P CA -0.216 62.993 63.100 0.181 0.000 0.794 285 P CB 0.722 32.469 31.700 0.079 0.000 0.959 286 A N 0.061 122.856 122.820 -0.042 0.000 2.409 286 A HA 0.489 4.807 4.320 -0.002 0.000 0.267 286 A C 1.344 178.890 177.584 -0.063 0.000 1.127 286 A CA 0.537 52.542 52.037 -0.054 0.000 0.795 286 A CB -1.172 17.775 19.000 -0.087 0.000 1.061 286 A HN 0.869 nan 8.150 nan 0.000 0.502 287 G N 1.152 109.912 108.800 -0.067 0.000 2.232 287 G HA2 -0.142 3.817 3.960 -0.002 0.000 0.226 287 G HA3 -0.142 3.817 3.960 -0.002 0.000 0.226 287 G C 0.240 175.044 174.900 -0.160 0.000 0.996 287 G CA 0.148 45.184 45.100 -0.107 0.000 0.626 287 G HN 1.399 nan 8.290 nan 0.000 0.509 288 L N 1.127 122.285 121.223 -0.108 0.000 2.516 288 L HA 0.619 4.958 4.340 -0.002 0.000 0.288 288 L C 0.223 177.012 176.870 -0.134 0.000 1.246 288 L CA 0.884 55.656 54.840 -0.114 0.000 0.844 288 L CB 1.004 43.048 42.059 -0.024 0.000 1.106 288 L HN 0.473 nan 8.230 nan 0.000 0.509 289 E N 2.146 122.258 120.200 -0.147 0.000 2.372 289 E HA 0.471 4.819 4.350 -0.002 0.000 0.279 289 E C -1.890 174.709 176.600 -0.002 0.000 0.946 289 E CA -0.617 55.728 56.400 -0.090 0.000 0.769 289 E CB 1.750 31.355 29.700 -0.158 0.000 1.230 289 E HN 0.262 nan 8.360 nan 0.000 0.442 290 V N 3.735 123.669 119.914 0.032 0.000 2.294 290 V HA 0.325 4.444 4.120 -0.002 0.000 0.272 290 V C -0.389 175.756 176.094 0.085 0.000 1.027 290 V CA -0.852 61.483 62.300 0.058 0.000 0.823 290 V CB 1.304 33.151 31.823 0.039 0.000 1.030 290 V HN 0.584 nan 8.190 nan 0.000 0.457 291 V N 5.620 125.607 119.914 0.120 0.000 2.405 291 V HA 0.161 4.280 4.120 -0.002 0.000 0.264 291 V C 1.021 177.181 176.094 0.109 0.000 1.048 291 V CA 0.120 62.498 62.300 0.131 0.000 0.966 291 V CB 0.487 32.408 31.823 0.164 0.000 1.015 291 V HN 0.917 nan 8.190 nan 0.000 0.477 292 E N 2.813 123.074 120.200 0.100 0.000 2.013 292 E HA 0.026 4.375 4.350 -0.002 0.000 0.196 292 E C 0.529 177.210 176.600 0.134 0.000 0.964 292 E CA 0.255 56.709 56.400 0.089 0.000 0.854 292 E CB 0.076 29.817 29.700 0.068 0.000 0.816 292 E HN 0.758 nan 8.360 nan 0.000 0.489 293 H N 0.245 119.341 119.070 0.043 0.000 2.683 293 H HA 0.027 4.582 4.556 -0.002 0.000 0.339 293 H C 0.741 176.095 175.328 0.043 0.000 1.081 293 H CA -0.175 55.896 56.048 0.039 0.000 1.432 293 H CB 0.987 30.768 29.762 0.030 0.000 1.462 293 H HN 0.170 nan 8.280 nan 0.000 0.557 294 T N 3.469 118.177 114.554 0.256 0.000 2.718 294 T HA -0.262 4.086 4.350 -0.002 0.000 0.266 294 T C 1.537 176.240 174.700 0.006 0.000 1.033 294 T CA 1.885 64.045 62.100 0.100 0.000 1.151 294 T CB -0.162 68.759 68.868 0.089 0.000 0.853 294 T HN 0.663 nan 8.240 nan 0.000 0.466 295 E N 1.194 121.336 120.200 -0.095 0.000 2.208 295 E HA -0.126 4.223 4.350 -0.002 0.000 0.202 295 E C 2.195 178.779 176.600 -0.026 0.000 1.014 295 E CA 1.366 57.711 56.400 -0.090 0.000 0.819 295 E CB -0.496 29.123 29.700 -0.134 0.000 0.735 295 E HN 0.649 nan 8.360 nan 0.000 0.469 296 A N -0.365 122.466 122.820 0.018 0.000 2.147 296 A HA 0.068 4.386 4.320 -0.002 0.000 0.211 296 A C 2.129 179.739 177.584 0.043 0.000 1.160 296 A CA 0.891 52.950 52.037 0.036 0.000 0.781 296 A CB -0.157 18.884 19.000 0.067 0.000 0.842 296 A HN 0.206 nan 8.150 nan 0.000 0.475 297 S N -0.057 115.677 115.700 0.057 0.000 2.345 297 S HA -0.137 4.331 4.470 -0.002 0.000 0.219 297 S C 2.058 176.675 174.600 0.028 0.000 1.031 297 S CA 1.390 59.637 58.200 0.078 0.000 0.984 297 S CB -0.230 63.025 63.200 0.091 0.000 0.874 297 S HN 0.396 nan 8.310 nan 0.000 0.451 298 K N 1.619 122.014 120.400 -0.007 0.000 2.113 298 K HA -0.006 4.313 4.320 -0.002 0.000 0.208 298 K C 2.235 178.805 176.600 -0.051 0.000 1.047 298 K CA 1.292 57.551 56.287 -0.047 0.000 0.928 298 K CB -1.094 31.363 32.500 -0.073 0.000 0.716 298 K HN 0.481 nan 8.250 nan 0.000 0.446 299 A N 1.087 123.885 122.820 -0.036 0.000 1.933 299 A HA -0.103 4.215 4.320 -0.002 0.000 0.218 299 A C 2.231 179.783 177.584 -0.053 0.000 1.175 299 A CA 1.069 53.079 52.037 -0.045 0.000 0.628 299 A CB -0.566 18.418 19.000 -0.027 0.000 0.814 299 A HN 0.225 nan 8.150 nan 0.000 0.444 300 L N 0.194 121.395 121.223 -0.038 0.000 2.450 300 L HA -0.174 4.165 4.340 -0.002 0.000 0.224 300 L C 1.893 178.752 176.870 -0.018 0.000 1.149 300 L CA 0.584 55.378 54.840 -0.076 0.000 0.816 300 L CB -0.453 41.568 42.059 -0.065 0.000 0.932 300 L HN 0.453 nan 8.230 nan 0.000 0.449 301 N N 0.660 119.360 118.700 -0.001 0.000 2.220 301 N HA -0.103 4.635 4.740 -0.002 0.000 0.182 301 N C 1.620 177.068 175.510 -0.103 0.000 1.023 301 N CA 0.911 53.960 53.050 -0.002 0.000 0.856 301 N CB -0.169 38.309 38.487 -0.016 0.000 0.997 301 N HN 0.471 nan 8.380 nan 0.000 0.429 302 R N 0.839 121.251 120.500 -0.147 0.000 2.323 302 R HA 0.379 4.718 4.340 -0.002 0.000 0.198 302 R C 0.332 176.580 176.300 -0.087 0.000 0.988 302 R CA 0.021 56.033 56.100 -0.146 0.000 1.041 302 R CB 0.077 30.289 30.300 -0.148 0.000 0.926 302 R HN -0.038 nan 8.270 nan 0.000 0.476 303 A N 3.003 125.779 122.820 -0.073 0.000 2.303 303 A HA 0.535 4.854 4.320 -0.002 0.000 0.317 303 A C -2.293 175.262 177.584 -0.047 0.000 1.149 303 A CA -2.043 49.960 52.037 -0.057 0.000 0.822 303 A CB 0.711 19.671 19.000 -0.067 0.000 1.131 303 A HN 0.134 nan 8.150 nan 0.000 0.493 304 P HA 0.339 nan 4.420 nan 0.000 0.279 304 P C 0.413 177.703 177.300 -0.016 0.000 1.252 304 P CA 0.037 63.124 63.100 -0.021 0.000 0.811 304 P CB 1.144 32.836 31.700 -0.014 0.000 1.035 305 G N 1.441 110.234 108.800 -0.012 0.000 2.553 305 G HA2 0.392 4.351 3.960 -0.002 0.000 0.278 305 G HA3 0.392 4.351 3.960 -0.002 0.000 0.278 305 G C -2.259 172.644 174.900 0.006 0.000 1.349 305 G CA -1.043 44.055 45.100 -0.004 0.000 1.037 305 G HN 0.448 nan 8.290 nan 0.000 0.508 306 P HA 0.408 nan 4.420 nan 0.000 0.279 306 P C -0.339 176.984 177.300 0.038 0.000 1.252 306 P CA -0.046 63.060 63.100 0.009 0.000 0.811 306 P CB 1.636 33.336 31.700 -0.001 0.000 1.035 307 M N -0.953 118.670 119.600 0.038 0.000 3.680 307 M HA 0.532 5.011 4.480 -0.002 0.000 0.366 307 M C -2.113 174.226 176.300 0.065 0.000 1.528 307 M CA -0.873 54.488 55.300 0.102 0.000 0.916 307 M CB 0.990 33.703 32.600 0.190 0.000 2.272 307 M HN -0.035 nan 8.290 nan 0.000 0.517 308 V N 1.233 121.227 119.914 0.133 0.000 2.697 308 V HA 0.677 4.796 4.120 -0.002 0.000 0.300 308 V C -1.251 174.916 176.094 0.121 0.000 1.115 308 V CA -0.630 61.712 62.300 0.071 0.000 0.912 308 V CB 1.898 33.751 31.823 0.050 0.000 1.024 308 V HN 0.674 nan 8.190 nan 0.000 0.431 309 V N 5.917 125.818 119.914 -0.023 0.000 2.555 309 V HA 0.632 4.751 4.120 -0.002 0.000 0.302 309 V C -0.817 175.222 176.094 -0.091 0.000 1.038 309 V CA -0.639 61.599 62.300 -0.104 0.000 0.887 309 V CB 1.889 33.428 31.823 -0.473 0.000 0.991 309 V HN 0.617 nan 8.190 nan 0.000 0.434 310 L N 4.047 125.256 121.223 -0.023 0.000 2.362 310 L HA 0.982 5.321 4.340 -0.002 0.000 0.275 310 L C 0.073 176.954 176.870 0.019 0.000 0.998 310 L CA 0.039 54.881 54.840 0.003 0.000 0.820 310 L CB 1.666 43.749 42.059 0.040 0.000 1.270 310 L HN 0.938 nan 8.230 nan 0.000 0.415 311 A N 1.426 124.257 122.820 0.018 0.000 2.566 311 A HA 0.873 5.192 4.320 -0.002 0.000 0.290 311 A C -0.777 176.805 177.584 -0.003 0.000 1.071 311 A CA -0.018 52.042 52.037 0.038 0.000 0.658 311 A CB 0.804 19.870 19.000 0.109 0.000 1.285 311 A HN 0.787 nan 8.150 nan 0.000 0.427 312 G N -0.534 108.255 108.800 -0.019 0.000 2.932 312 G HA2 0.622 4.581 3.960 -0.002 0.000 0.283 312 G HA3 0.622 4.581 3.960 -0.002 0.000 0.283 312 G C 0.223 175.087 174.900 -0.061 0.000 1.336 312 G CA 0.322 45.377 45.100 -0.075 0.000 1.056 312 G HN 1.609 nan 8.290 nan 0.000 0.522 313 S N -1.611 114.045 115.700 -0.074 0.000 2.576 313 S HA 0.320 4.789 4.470 -0.002 0.000 0.272 313 S C 1.740 176.182 174.600 -0.263 0.000 1.352 313 S CA 0.495 58.613 58.200 -0.136 0.000 1.021 313 S CB 0.680 63.840 63.200 -0.067 0.000 0.887 313 S HN 1.105 nan 8.310 nan 0.000 0.542 314 G N 2.107 110.510 108.800 -0.663 0.000 2.744 314 G HA2 0.080 4.038 3.960 -0.002 0.000 0.211 314 G HA3 0.080 4.038 3.960 -0.002 0.000 0.211 314 G C 0.785 175.429 174.900 -0.427 0.000 1.143 314 G CA 0.094 44.643 45.100 -0.919 0.000 0.788 314 G HN 0.687 nan 8.290 nan 0.000 0.534 315 M N 0.052 119.523 119.600 -0.214 0.000 2.502 315 M HA 0.374 4.853 4.480 -0.002 0.000 0.351 315 M C 0.495 176.810 176.300 0.025 0.000 1.118 315 M CA -0.134 55.181 55.300 0.026 0.000 0.952 315 M CB 0.610 33.316 32.600 0.177 0.000 1.424 315 M HN 0.018 nan 8.290 nan 0.000 0.529 316 L N -0.732 120.499 121.223 0.014 0.000 4.179 316 L HA -0.356 3.983 4.340 -0.002 0.000 0.418 316 L C 1.697 178.578 176.870 0.018 0.000 1.168 316 L CA 0.296 55.156 54.840 0.033 0.000 0.972 316 L CB -1.986 40.122 42.059 0.081 0.000 2.005 316 L HN 0.521 nan 8.230 nan 0.000 0.935 317 A N -0.525 122.306 122.820 0.019 0.000 1.940 317 A HA 0.272 4.591 4.320 -0.002 0.000 0.219 317 A C 1.596 179.189 177.584 0.015 0.000 1.176 317 A CA 2.446 54.502 52.037 0.032 0.000 0.631 317 A CB -0.161 18.872 19.000 0.055 0.000 0.814 317 A HN 0.911 nan 8.150 nan 0.000 0.446 318 G N -4.403 104.394 108.800 -0.006 0.000 2.609 318 G HA2 0.525 4.483 3.960 -0.002 0.000 0.082 318 G HA3 0.525 4.483 3.960 -0.002 0.000 0.082 318 G C 0.828 175.688 174.900 -0.066 0.000 1.075 318 G CA 0.783 45.865 45.100 -0.028 0.000 1.172 318 G HN 1.890 nan 8.290 nan 0.000 0.532 319 G N -0.035 108.729 108.800 -0.060 0.000 2.527 319 G HA2 -0.160 3.798 3.960 -0.002 0.000 0.268 319 G HA3 -0.160 3.798 3.960 -0.002 0.000 0.268 319 G C 0.276 175.066 174.900 -0.183 0.000 1.175 319 G CA 0.799 45.855 45.100 -0.074 0.000 0.962 319 G HN 1.134 nan 8.290 nan 0.000 0.560 320 R N -0.530 119.867 120.500 -0.172 0.000 2.748 320 R HA 0.463 4.801 4.340 -0.002 0.000 0.395 320 R C 1.182 177.353 176.300 -0.215 0.000 1.128 320 R CA 0.033 55.964 56.100 -0.282 0.000 1.042 320 R CB 0.315 30.573 30.300 -0.070 0.000 1.392 320 R HN 0.400 nan 8.270 nan 0.000 0.582 321 I N -0.764 119.698 120.570 -0.180 0.000 3.883 321 I HA 0.068 4.237 4.170 -0.002 0.000 0.305 321 I C 1.173 177.258 176.117 -0.053 0.000 1.247 321 I CA 0.824 62.128 61.300 0.007 0.000 1.350 321 I CB 0.435 38.449 38.000 0.022 0.000 1.194 321 I HN 0.155 nan 8.210 nan 0.000 0.441 322 L N 0.601 121.725 121.223 -0.165 0.000 2.187 322 L HA -0.198 4.141 4.340 -0.002 0.000 0.213 322 L C 2.217 179.078 176.870 -0.015 0.000 1.100 322 L CA 0.976 55.765 54.840 -0.085 0.000 0.765 322 L CB -1.203 40.803 42.059 -0.089 0.000 0.904 322 L HN 0.331 nan 8.230 nan 0.000 0.437 323 H N -1.564 117.431 119.070 -0.126 0.000 2.495 323 H HA -0.034 4.521 4.556 -0.002 0.000 0.287 323 H C 2.088 177.318 175.328 -0.163 0.000 1.033 323 H CA 0.871 56.816 56.048 -0.172 0.000 1.307 323 H CB -0.210 29.414 29.762 -0.231 0.000 1.401 323 H HN 0.411 nan 8.280 nan 0.000 0.555 324 H N -0.471 118.658 119.070 0.098 0.000 2.497 324 H HA 0.042 4.597 4.556 -0.002 0.000 0.282 324 H C 1.841 177.182 175.328 0.021 0.000 1.003 324 H CA 0.344 56.424 56.048 0.053 0.000 1.307 324 H CB 0.310 30.076 29.762 0.006 0.000 1.437 324 H HN 0.196 nan 8.280 nan 0.000 0.544 325 L N 0.768 122.051 121.223 0.100 0.000 2.209 325 L HA -0.003 4.336 4.340 -0.002 0.000 0.207 325 L C 2.505 179.372 176.870 -0.005 0.000 1.094 325 L CA 1.041 55.904 54.840 0.039 0.000 0.790 325 L CB -0.344 41.732 42.059 0.029 0.000 0.932 325 L HN 0.053 nan 8.230 nan 0.000 0.447 326 K N -0.727 119.641 120.400 -0.054 0.000 2.026 326 K HA -0.150 4.169 4.320 -0.002 0.000 0.208 326 K C 1.006 177.442 176.600 -0.275 0.000 1.048 326 K CA 1.280 57.447 56.287 -0.199 0.000 0.929 326 K CB 0.020 32.333 32.500 -0.313 0.000 0.713 326 K HN 0.371 nan 8.250 nan 0.000 0.439 327 H N -1.716 117.368 119.070 0.023 0.000 2.488 327 H HA 0.213 4.768 4.556 -0.002 0.000 0.294 327 H C 0.744 176.084 175.328 0.019 0.000 1.088 327 H CA 0.516 56.572 56.048 0.013 0.000 1.086 327 H CB 1.236 31.001 29.762 0.005 0.000 1.569 327 H HN 0.461 nan 8.280 nan 0.000 0.548 328 G N -0.222 108.631 108.800 0.087 0.000 2.512 328 G HA2 -0.029 3.930 3.960 -0.002 0.000 0.193 328 G HA3 -0.029 3.930 3.960 -0.002 0.000 0.193 328 G C 1.031 175.943 174.900 0.019 0.000 1.278 328 G CA -0.151 44.983 45.100 0.056 0.000 0.722 328 G HN 0.108 nan 8.290 nan 0.000 0.925 329 L N 2.763 123.991 121.223 0.008 0.000 2.552 329 L HA 0.163 4.501 4.340 -0.002 0.000 0.227 329 L C 2.502 179.370 176.870 -0.003 0.000 1.146 329 L CA 1.450 56.286 54.840 -0.005 0.000 0.858 329 L CB 0.141 42.196 42.059 -0.005 0.000 0.969 329 L HN 0.351 nan 8.230 nan 0.000 0.451 330 S N -3.045 112.659 115.700 0.006 0.000 2.575 330 S HA 0.090 4.559 4.470 -0.002 0.000 0.215 330 S C 0.583 175.189 174.600 0.010 0.000 0.966 330 S CA -0.327 57.878 58.200 0.008 0.000 0.911 330 S CB -0.077 63.132 63.200 0.015 0.000 0.780 330 S HN 0.316 nan 8.310 nan 0.000 0.514 331 D N 2.152 122.557 120.400 0.009 0.000 2.425 331 D HA 0.341 4.979 4.640 -0.002 0.000 0.240 331 D C -1.935 174.364 176.300 -0.002 0.000 1.080 331 D CA -2.403 51.601 54.000 0.006 0.000 0.836 331 D CB 2.177 42.983 40.800 0.011 0.000 1.125 331 D HN -0.071 nan 8.370 nan 0.000 0.525 332 P HA -0.116 nan 4.420 nan 0.000 0.226 332 P C 0.906 178.202 177.300 -0.006 0.000 1.146 332 P CA 0.598 63.693 63.100 -0.007 0.000 0.773 332 P CB 0.493 32.190 31.700 -0.005 0.000 0.772 333 R N -1.085 119.412 120.500 -0.005 0.000 2.153 333 R HA 0.071 4.410 4.340 -0.002 0.000 0.218 333 R C 0.995 177.290 176.300 -0.008 0.000 1.072 333 R CA 0.278 56.375 56.100 -0.005 0.000 0.990 333 R CB -0.240 30.057 30.300 -0.005 0.000 0.889 333 R HN 0.291 nan 8.270 nan 0.000 0.452 334 N N 0.656 119.351 118.700 -0.010 0.000 2.445 334 N HA 0.312 5.051 4.740 -0.002 0.000 0.264 334 N C -0.716 174.782 175.510 -0.019 0.000 1.227 334 N CA 0.161 53.202 53.050 -0.016 0.000 0.963 334 N CB 1.367 39.846 38.487 -0.014 0.000 1.188 334 N HN 0.072 nan 8.380 nan 0.000 0.491 335 A N 0.629 123.434 122.820 -0.024 0.000 2.475 335 A HA 0.616 4.935 4.320 -0.002 0.000 0.301 335 A C -1.203 176.349 177.584 -0.054 0.000 1.059 335 A CA -0.648 51.383 52.037 -0.010 0.000 0.710 335 A CB 1.219 20.260 19.000 0.069 0.000 1.288 335 A HN 0.593 nan 8.150 nan 0.000 0.408 336 L N 2.981 124.145 121.223 -0.099 0.000 2.342 336 L HA 0.622 4.960 4.340 -0.002 0.000 0.276 336 L C -1.484 175.223 176.870 -0.272 0.000 0.997 336 L CA -0.697 54.006 54.840 -0.228 0.000 0.838 336 L CB 1.435 43.314 42.059 -0.300 0.000 1.224 336 L HN 0.495 nan 8.230 nan 0.000 0.416 337 V N 4.839 124.615 119.914 -0.229 0.000 2.398 337 V HA 0.379 4.498 4.120 -0.002 0.000 0.286 337 V C -0.454 175.511 176.094 -0.214 0.000 1.026 337 V CA -0.345 61.888 62.300 -0.111 0.000 0.868 337 V CB 1.395 33.238 31.823 0.034 0.000 0.982 337 V HN 0.435 nan 8.190 nan 0.000 0.443 338 F N 4.272 124.270 119.950 0.081 0.000 2.385 338 F HA 0.416 4.941 4.527 -0.002 0.000 0.360 338 F C 0.929 176.753 175.800 0.039 0.000 1.122 338 F CA -0.507 57.527 58.000 0.057 0.000 1.090 338 F CB 1.683 40.721 39.000 0.063 0.000 1.150 338 F HN 0.390 nan 8.300 nan 0.000 0.472 339 V N 0.793 120.813 119.914 0.177 0.000 2.922 339 V HA 0.421 4.540 4.120 -0.002 0.000 0.242 339 V C 1.238 177.478 176.094 0.243 0.000 1.094 339 V CA 0.844 63.173 62.300 0.048 0.000 1.106 339 V CB -0.810 30.886 31.823 -0.211 0.000 0.799 339 V HN 0.654 nan 8.190 nan 0.000 0.474 340 G N -0.392 108.607 108.800 0.333 0.000 2.468 340 G HA2 0.291 4.250 3.960 -0.002 0.000 0.264 340 G HA3 0.291 4.250 3.960 -0.002 0.000 0.264 340 G C -0.845 174.327 174.900 0.453 0.000 1.460 340 G CA -0.021 45.362 45.100 0.472 0.000 1.060 340 G HN 0.557 nan 8.290 nan 0.000 0.543 341 Y N 0.138 120.675 120.300 0.394 0.000 2.352 341 Y HA 0.525 5.073 4.550 -0.002 0.000 0.339 341 Y C -0.485 175.545 175.900 0.218 0.000 0.992 341 Y CA -0.966 57.315 58.100 0.302 0.000 1.100 341 Y CB 1.620 40.288 38.460 0.346 0.000 1.192 341 Y HN 0.218 nan 8.280 nan 0.000 0.458 342 Q N 8.243 127.734 119.800 -0.514 0.000 2.348 342 Q HA 0.368 4.706 4.340 -0.002 0.000 0.265 342 Q C -2.613 172.962 176.000 -0.707 0.000 0.998 342 Q CA -2.162 53.366 55.803 -0.458 0.000 0.831 342 Q CB 1.731 30.191 28.738 -0.463 0.000 1.251 342 Q HN 0.581 nan 8.270 nan 0.000 0.456 343 P HA 0.016 nan 4.420 nan 0.000 0.275 343 P C -0.218 177.019 177.300 -0.106 0.000 1.228 343 P CA -0.444 62.589 63.100 -0.112 0.000 0.786 343 P CB 0.786 32.593 31.700 0.179 0.000 0.927 344 Q N 1.385 121.148 119.800 -0.061 0.000 2.349 344 Q HA 0.121 4.460 4.340 -0.002 0.000 0.287 344 Q C 0.933 176.917 176.000 -0.026 0.000 1.044 344 Q CA 0.878 56.652 55.803 -0.048 0.000 0.918 344 Q CB -0.506 28.221 28.738 -0.018 0.000 1.242 344 Q HN 0.903 nan 8.270 nan 0.000 0.405 345 G N 1.850 110.632 108.800 -0.032 0.000 2.498 345 G HA2 -0.280 3.679 3.960 -0.002 0.000 0.229 345 G HA3 -0.280 3.679 3.960 -0.002 0.000 0.229 345 G C 0.542 175.430 174.900 -0.020 0.000 1.156 345 G CA 0.269 45.359 45.100 -0.018 0.000 0.680 345 G HN 1.211 nan 8.290 nan 0.000 0.512 346 G N 0.122 108.907 108.800 -0.024 0.000 2.562 346 G HA2 0.428 4.387 3.960 -0.002 0.000 0.233 346 G HA3 0.428 4.387 3.960 -0.002 0.000 0.233 346 G C 1.238 176.116 174.900 -0.036 0.000 1.266 346 G CA 0.433 45.521 45.100 -0.020 0.000 0.852 346 G HN 1.261 nan 8.290 nan 0.000 0.581 347 L N 2.785 123.999 121.223 -0.016 0.000 2.054 347 L HA -0.152 4.187 4.340 -0.002 0.000 0.220 347 L C 2.729 179.580 176.870 -0.032 0.000 1.081 347 L CA 3.238 58.073 54.840 -0.008 0.000 0.780 347 L CB -0.955 41.114 42.059 0.016 0.000 0.893 347 L HN 0.640 nan 8.230 nan 0.000 0.438 348 G N -1.263 107.489 108.800 -0.080 0.000 2.476 348 G HA2 -0.332 3.627 3.960 -0.002 0.000 0.218 348 G HA3 -0.332 3.627 3.960 -0.002 0.000 0.218 348 G C 1.612 176.372 174.900 -0.235 0.000 1.164 348 G CA 1.238 46.199 45.100 -0.233 0.000 0.768 348 G HN 0.753 nan 8.290 nan 0.000 0.560 349 A N 0.597 123.311 122.820 -0.177 0.000 1.978 349 A HA -0.053 4.265 4.320 -0.002 0.000 0.220 349 A C 2.168 179.705 177.584 -0.079 0.000 1.170 349 A CA 2.322 54.278 52.037 -0.135 0.000 0.636 349 A CB -0.381 18.558 19.000 -0.101 0.000 0.810 349 A HN 0.454 nan 8.150 nan 0.000 0.448 350 E N 0.514 120.682 120.200 -0.053 0.000 2.028 350 E HA -0.120 4.229 4.350 -0.002 0.000 0.191 350 E C 1.650 178.245 176.600 -0.008 0.000 0.988 350 E CA 1.506 57.892 56.400 -0.023 0.000 0.799 350 E CB -0.464 29.230 29.700 -0.010 0.000 0.755 350 E HN 0.605 nan 8.360 nan 0.000 0.447 351 I N 0.646 121.221 120.570 0.009 0.000 2.530 351 I HA -0.234 3.934 4.170 -0.002 0.000 0.257 351 I C 2.019 178.162 176.117 0.044 0.000 1.179 351 I CA 0.818 62.149 61.300 0.051 0.000 1.440 351 I CB -0.299 37.786 38.000 0.142 0.000 1.087 351 I HN 0.204 nan 8.210 nan 0.000 0.440 352 I N 0.601 121.169 120.570 -0.002 0.000 2.480 352 I HA -0.134 4.035 4.170 -0.002 0.000 0.251 352 I C 2.776 178.892 176.117 -0.002 0.000 1.124 352 I CA 0.799 62.096 61.300 -0.006 0.000 1.444 352 I CB -0.380 37.583 38.000 -0.062 0.000 1.098 352 I HN 0.125 nan 8.210 nan 0.000 0.428 353 A N 0.526 123.340 122.820 -0.009 0.000 2.024 353 A HA -0.212 4.106 4.320 -0.002 0.000 0.220 353 A C 1.544 179.130 177.584 0.003 0.000 1.164 353 A CA 1.100 53.135 52.037 -0.004 0.000 0.643 353 A CB -0.426 18.570 19.000 -0.007 0.000 0.806 353 A HN 0.535 nan 8.150 nan 0.000 0.451 354 R N -1.485 119.019 120.500 0.006 0.000 3.223 354 R HA -0.104 4.235 4.340 -0.002 0.000 0.262 354 R C -2.324 173.978 176.300 0.003 0.000 1.052 354 R CA 0.482 56.585 56.100 0.006 0.000 0.700 354 R CB -1.826 28.477 30.300 0.005 0.000 1.217 354 R HN 0.539 nan 8.270 nan 0.000 0.408 355 P HA 0.190 nan 4.420 nan 0.000 0.289 355 P C -1.878 175.422 177.300 0.001 0.000 1.299 355 P CA -0.919 62.182 63.100 0.002 0.000 0.766 355 P CB 0.401 32.102 31.700 0.002 0.000 1.226 356 P HA -0.007 nan 4.420 nan 0.000 0.216 356 P C 0.446 177.745 177.300 -0.001 0.000 1.153 356 P CA 1.389 64.489 63.100 -0.000 0.000 0.844 356 P CB 0.110 31.810 31.700 -0.000 0.000 0.787 357 A N -1.529 121.291 122.820 -0.000 0.000 2.535 357 A HA 0.677 4.996 4.320 -0.002 0.000 0.296 357 A C -1.488 176.096 177.584 0.001 0.000 1.248 357 A CA -0.446 51.591 52.037 -0.001 0.000 0.686 357 A CB 1.577 20.576 19.000 -0.003 0.000 1.315 357 A HN -0.127 nan 8.150 nan 0.000 0.460 358 V N 0.042 119.956 119.914 -0.000 0.000 3.048 358 V HA 0.493 4.612 4.120 -0.002 0.000 0.303 358 V C -0.374 175.719 176.094 -0.002 0.000 1.214 358 V CA -0.685 61.616 62.300 0.002 0.000 0.984 358 V CB 1.941 33.770 31.823 0.009 0.000 1.054 358 V HN 0.932 nan 8.190 nan 0.000 0.430 359 R N 3.306 123.805 120.500 -0.001 0.000 2.234 359 R HA 0.695 5.034 4.340 -0.002 0.000 0.324 359 R C -1.375 174.923 176.300 -0.002 0.000 1.054 359 R CA -0.147 55.950 56.100 -0.004 0.000 0.912 359 R CB 0.415 30.714 30.300 -0.002 0.000 1.030 359 R HN 0.715 nan 8.270 nan 0.000 0.455 360 I N 6.293 126.858 120.570 -0.008 0.000 2.500 360 I HA 0.135 4.304 4.170 -0.002 0.000 0.286 360 I C -0.596 175.517 176.117 -0.007 0.000 1.063 360 I CA -0.895 60.402 61.300 -0.004 0.000 1.062 360 I CB 1.900 39.895 38.000 -0.007 0.000 1.223 360 I HN 0.627 nan 8.210 nan 0.000 0.435 361 L N 6.342 127.569 121.223 0.007 0.000 3.598 361 L HA -0.170 4.169 4.340 -0.002 0.000 0.422 361 L C 1.025 177.894 176.870 -0.002 0.000 1.262 361 L CA 1.172 56.020 54.840 0.013 0.000 0.889 361 L CB -1.909 40.165 42.059 0.026 0.000 1.857 361 L HN 1.091 nan 8.230 nan 0.000 0.858 362 G N -0.189 108.610 108.800 -0.002 0.000 2.295 362 G HA2 -0.226 3.733 3.960 -0.002 0.000 0.287 362 G HA3 -0.226 3.733 3.960 -0.002 0.000 0.287 362 G C 0.151 175.043 174.900 -0.012 0.000 1.055 362 G CA 0.715 45.812 45.100 -0.006 0.000 0.922 362 G HN 0.823 nan 8.290 nan 0.000 0.503 363 E N -0.356 119.834 120.200 -0.017 0.000 2.677 363 E HA 0.158 4.506 4.350 -0.002 0.000 0.330 363 E C -0.535 176.051 176.600 -0.023 0.000 0.933 363 E CA -0.676 55.711 56.400 -0.022 0.000 0.797 363 E CB 0.609 30.289 29.700 -0.033 0.000 1.326 363 E HN 0.189 nan 8.360 nan 0.000 0.404 364 E N 2.192 122.382 120.200 -0.016 0.000 2.415 364 E HA 0.075 4.424 4.350 -0.002 0.000 0.260 364 E C -0.644 175.945 176.600 -0.018 0.000 1.016 364 E CA 0.216 56.608 56.400 -0.014 0.000 0.924 364 E CB 1.631 31.326 29.700 -0.009 0.000 0.961 364 E HN 0.267 nan 8.360 nan 0.000 0.459 365 V N 6.168 126.070 119.914 -0.021 0.000 2.459 365 V HA 0.342 4.460 4.120 -0.002 0.000 0.295 365 V C -2.428 173.658 176.094 -0.013 0.000 1.029 365 V CA -2.540 59.745 62.300 -0.024 0.000 0.874 365 V CB 1.952 33.750 31.823 -0.042 0.000 0.985 365 V HN 0.442 nan 8.190 nan 0.000 0.438 366 P HA 0.108 nan 4.420 nan 0.000 0.265 366 P C -0.839 176.458 177.300 -0.005 0.000 1.193 366 P CA -0.036 63.061 63.100 -0.005 0.000 0.765 366 P CB 0.387 32.086 31.700 -0.002 0.000 0.823 367 L N 4.974 126.195 121.223 -0.004 0.000 2.407 367 L HA 0.257 4.596 4.340 -0.002 0.000 0.261 367 L C 0.770 177.634 176.870 -0.009 0.000 1.108 367 L CA 0.500 55.337 54.840 -0.005 0.000 0.995 367 L CB -0.558 41.499 42.059 -0.002 0.000 1.349 367 L HN 0.254 nan 8.230 nan 0.000 0.423 368 R N 2.522 123.015 120.500 -0.011 0.000 2.404 368 R HA 0.436 4.775 4.340 -0.002 0.000 0.237 368 R C 0.466 176.754 176.300 -0.021 0.000 0.907 368 R CA 0.206 56.298 56.100 -0.013 0.000 1.063 368 R CB 0.571 30.867 30.300 -0.007 0.000 1.134 368 R HN 0.587 nan 8.270 nan 0.000 0.529 369 A N 2.110 124.914 122.820 -0.027 0.000 2.366 369 A HA 0.251 4.570 4.320 -0.002 0.000 0.272 369 A C 0.418 177.955 177.584 -0.078 0.000 1.135 369 A CA -0.391 51.621 52.037 -0.041 0.000 0.804 369 A CB 0.452 19.430 19.000 -0.037 0.000 1.064 369 A HN 0.282 nan 8.150 nan 0.000 0.499 370 S N 1.992 117.631 115.700 -0.103 0.000 2.546 370 S HA 0.297 4.766 4.470 -0.002 0.000 0.290 370 S C -0.055 174.299 174.600 -0.410 0.000 1.262 370 S CA -0.505 57.559 58.200 -0.226 0.000 1.083 370 S CB 0.111 63.208 63.200 -0.172 0.000 0.859 370 S HN 0.654 nan 8.310 nan 0.000 0.495 371 V N 5.744 125.426 119.914 -0.386 0.000 2.407 371 V HA 0.373 4.492 4.120 -0.002 0.000 0.278 371 V C 0.037 175.903 176.094 -0.380 0.000 1.037 371 V CA -0.509 61.624 62.300 -0.278 0.000 0.900 371 V CB 0.472 32.279 31.823 -0.026 0.000 0.983 371 V HN 0.884 nan 8.190 nan 0.000 0.459 372 H N 2.142 121.253 119.070 0.069 0.000 2.622 372 H HA 0.551 5.105 4.556 -0.002 0.000 0.363 372 H C -0.549 174.910 175.328 0.219 0.000 1.151 372 H CA -0.501 55.607 56.048 0.100 0.000 1.184 372 H CB 2.382 32.162 29.762 0.030 0.000 1.643 372 H HN 0.512 nan 8.280 nan 0.000 0.531 373 T N 3.394 118.154 114.554 0.344 0.000 2.890 373 T HA 0.399 4.748 4.350 -0.002 0.000 0.295 373 T C -0.514 174.341 174.700 0.258 0.000 0.993 373 T CA -0.588 61.714 62.100 0.336 0.000 0.979 373 T CB 0.119 69.134 68.868 0.246 0.000 0.967 373 T HN 0.310 nan 8.240 nan 0.000 0.441 374 L N 4.205 125.579 121.223 0.251 0.000 2.356 374 L HA 0.439 4.778 4.340 -0.002 0.000 0.264 374 L C 1.568 178.607 176.870 0.281 0.000 1.029 374 L CA -0.728 54.263 54.840 0.251 0.000 0.897 374 L CB 1.249 43.444 42.059 0.227 0.000 1.256 374 L HN 0.823 nan 8.230 nan 0.000 0.444 375 G N 1.134 110.095 108.800 0.268 0.000 2.650 375 G HA2 -0.087 3.872 3.960 -0.002 0.000 0.214 375 G HA3 -0.087 3.872 3.960 -0.002 0.000 0.214 375 G C 1.385 176.401 174.900 0.193 0.000 1.136 375 G CA 0.662 45.915 45.100 0.255 0.000 0.789 375 G HN 0.741 nan 8.290 nan 0.000 0.536 376 G N 0.914 109.874 108.800 0.266 0.000 2.475 376 G HA2 -0.208 3.751 3.960 -0.002 0.000 0.220 376 G HA3 -0.208 3.751 3.960 -0.002 0.000 0.220 376 G C 0.919 175.914 174.900 0.158 0.000 1.125 376 G CA 0.149 45.370 45.100 0.201 0.000 0.755 376 G HN 0.335 nan 8.290 nan 0.000 0.565 377 F N 1.769 121.760 119.950 0.068 0.000 2.778 377 F HA 0.334 4.860 4.527 -0.002 0.000 0.295 377 F C 1.424 177.197 175.800 -0.045 0.000 1.262 377 F CA -0.740 57.310 58.000 0.083 0.000 1.429 377 F CB -0.470 38.563 39.000 0.056 0.000 1.072 377 F HN -0.051 nan 8.300 nan 0.000 0.514 378 S N -0.191 115.435 115.700 -0.124 0.000 2.548 378 S HA 0.409 4.878 4.470 -0.002 0.000 0.277 378 S C 1.473 175.927 174.600 -0.244 0.000 1.315 378 S CA -0.072 57.919 58.200 -0.347 0.000 1.050 378 S CB 1.131 63.557 63.200 -1.290 0.000 0.918 378 S HN 0.506 nan 8.310 nan 0.000 0.497 379 G N 3.208 111.937 108.800 -0.119 0.000 2.603 379 G HA2 0.068 4.027 3.960 -0.002 0.000 0.214 379 G HA3 0.068 4.027 3.960 -0.002 0.000 0.214 379 G C 0.589 175.432 174.900 -0.094 0.000 1.140 379 G CA 0.144 45.177 45.100 -0.112 0.000 0.800 379 G HN 0.767 nan 8.290 nan 0.000 0.533 380 H N 0.241 119.301 119.070 -0.017 0.000 2.505 380 H HA 0.495 5.049 4.556 -0.002 0.000 0.351 380 H C 0.219 175.543 175.328 -0.006 0.000 1.151 380 H CA -0.290 55.756 56.048 -0.002 0.000 1.339 380 H CB 1.599 31.454 29.762 0.154 0.000 1.483 380 H HN 0.155 nan 8.280 nan 0.000 0.558 381 A N 2.238 125.115 122.820 0.095 0.000 2.492 381 A HA 0.298 4.617 4.320 -0.002 0.000 0.254 381 A C 1.087 178.726 177.584 0.091 0.000 1.091 381 A CA 0.268 52.333 52.037 0.047 0.000 0.768 381 A CB -0.319 18.649 19.000 -0.052 0.000 1.028 381 A HN 0.786 nan 8.150 nan 0.000 0.498 382 G N 0.621 109.461 108.800 0.068 0.000 2.699 382 G HA2 0.207 4.166 3.960 -0.002 0.000 0.246 382 G HA3 0.207 4.166 3.960 -0.002 0.000 0.246 382 G C 0.776 175.652 174.900 -0.041 0.000 1.219 382 G CA 0.346 45.357 45.100 -0.148 0.000 0.866 382 G HN 0.960 nan 8.290 nan 0.000 0.572 383 Q N -0.287 119.483 119.800 -0.050 0.000 2.135 383 Q HA -0.207 4.132 4.340 -0.002 0.000 0.204 383 Q C 1.967 177.980 176.000 0.020 0.000 0.981 383 Q CA 2.260 58.070 55.803 0.011 0.000 0.856 383 Q CB -0.162 28.585 28.738 0.014 0.000 0.902 383 Q HN 0.757 nan 8.270 nan 0.000 0.425 384 D N 0.095 120.501 120.400 0.010 0.000 2.097 384 D HA -0.215 4.424 4.640 -0.002 0.000 0.197 384 D C 1.468 177.793 176.300 0.042 0.000 0.984 384 D CA 1.561 55.577 54.000 0.026 0.000 0.826 384 D CB -0.636 40.178 40.800 0.023 0.000 0.973 384 D HN 0.469 nan 8.370 nan 0.000 0.460 385 E N -0.119 120.107 120.200 0.042 0.000 2.077 385 E HA -0.126 4.223 4.350 -0.002 0.000 0.193 385 E C 2.163 178.819 176.600 0.093 0.000 0.989 385 E CA 0.390 56.827 56.400 0.061 0.000 0.800 385 E CB -0.169 29.558 29.700 0.045 0.000 0.746 385 E HN 0.100 nan 8.360 nan 0.000 0.452 386 L N 0.879 122.146 121.223 0.073 0.000 2.079 386 L HA -0.197 4.141 4.340 -0.002 0.000 0.210 386 L C 2.076 179.029 176.870 0.139 0.000 1.081 386 L CA 1.504 56.403 54.840 0.098 0.000 0.752 386 L CB -0.329 41.767 42.059 0.062 0.000 0.896 386 L HN 0.145 nan 8.230 nan 0.000 0.433 387 L N -1.162 120.116 121.223 0.093 0.000 2.093 387 L HA -0.204 4.135 4.340 -0.002 0.000 0.208 387 L C 2.095 179.013 176.870 0.079 0.000 1.085 387 L CA 1.128 56.013 54.840 0.076 0.000 0.755 387 L CB -0.689 41.400 42.059 0.049 0.000 0.904 387 L HN 0.235 nan 8.230 nan 0.000 0.435 388 D N -1.136 119.317 120.400 0.089 0.000 2.178 388 D HA -0.205 4.434 4.640 -0.002 0.000 0.202 388 D C 1.766 178.123 176.300 0.095 0.000 0.974 388 D CA 0.876 54.921 54.000 0.076 0.000 0.841 388 D CB -0.152 40.693 40.800 0.075 0.000 0.953 388 D HN 0.370 nan 8.370 nan 0.000 0.478 389 W N 0.932 122.207 121.300 -0.042 0.000 2.409 389 W HA -0.046 4.613 4.660 -0.001 0.000 0.299 389 W C 1.678 178.150 176.519 -0.078 0.000 1.203 389 W CA 0.607 57.909 57.345 -0.072 0.000 1.298 389 W CB -0.043 29.364 29.460 -0.087 0.000 1.127 389 W HN -0.131 nan 8.180 nan 0.000 0.528 390 L N 0.761 122.044 121.223 0.101 0.000 2.395 390 L HA -0.032 4.307 4.340 -0.002 0.000 0.218 390 L C 1.396 178.215 176.870 -0.085 0.000 1.130 390 L CA 1.158 55.990 54.840 -0.013 0.000 0.826 390 L CB -1.765 40.347 42.059 0.087 0.000 0.941 390 L HN 0.047 nan 8.230 nan 0.000 0.451 391 Q N -0.242 119.518 119.800 -0.067 0.000 2.380 391 Q HA -0.109 4.230 4.340 -0.002 0.000 0.338 391 Q C 1.334 177.276 176.000 -0.096 0.000 1.193 391 Q CA 1.456 57.220 55.803 -0.065 0.000 1.023 391 Q CB 0.341 29.047 28.738 -0.054 0.000 1.252 391 Q HN 0.543 nan 8.270 nan 0.000 0.422 392 G N 2.094 110.853 108.800 -0.067 0.000 2.284 392 G HA2 -0.279 3.680 3.960 -0.002 0.000 0.268 392 G HA3 -0.279 3.680 3.960 -0.002 0.000 0.268 392 G C -0.108 174.747 174.900 -0.075 0.000 0.980 392 G CA 0.779 45.838 45.100 -0.069 0.000 0.631 392 G HN 0.615 nan 8.290 nan 0.000 0.548 393 E N 1.091 121.238 120.200 -0.090 0.000 2.316 393 E HA 0.230 4.578 4.350 -0.002 0.000 0.275 393 E C -0.908 175.663 176.600 -0.048 0.000 1.029 393 E CA -1.170 55.180 56.400 -0.083 0.000 0.871 393 E CB 1.602 31.236 29.700 -0.110 0.000 1.022 393 E HN 0.309 nan 8.360 nan 0.000 0.418 394 P HA -0.068 nan 4.420 nan 0.000 0.215 394 P C 0.119 177.409 177.300 -0.016 0.000 1.157 394 P CA 0.994 64.079 63.100 -0.024 0.000 0.856 394 P CB 0.735 32.422 31.700 -0.022 0.000 0.786 395 R N -0.182 120.309 120.500 -0.015 0.000 2.562 395 R HA 0.597 4.936 4.340 -0.002 0.000 0.298 395 R C -1.206 175.094 176.300 0.001 0.000 0.961 395 R CA -0.752 55.344 56.100 -0.007 0.000 0.881 395 R CB 2.766 33.062 30.300 -0.007 0.000 1.159 395 R HN -0.146 nan 8.270 nan 0.000 0.450 396 V N 3.553 123.473 119.914 0.009 0.000 2.462 396 V HA 0.198 4.316 4.120 -0.002 0.000 0.288 396 V C -0.296 175.811 176.094 0.022 0.000 1.020 396 V CA -0.846 61.469 62.300 0.025 0.000 0.857 396 V CB 1.931 33.776 31.823 0.036 0.000 1.013 396 V HN 0.460 nan 8.190 nan 0.000 0.431 397 V N 6.259 126.184 119.914 0.018 0.000 2.406 397 V HA 0.388 4.506 4.120 -0.002 0.000 0.272 397 V C 0.036 176.139 176.094 0.014 0.000 1.043 397 V CA -0.381 61.919 62.300 0.000 0.000 0.915 397 V CB 1.401 33.205 31.823 -0.031 0.000 0.988 397 V HN 0.563 nan 8.190 nan 0.000 0.466 398 L N 6.489 127.723 121.223 0.018 0.000 2.375 398 L HA 0.731 5.069 4.340 -0.002 0.000 0.271 398 L C 0.116 177.006 176.870 0.033 0.000 1.107 398 L CA 0.535 55.397 54.840 0.037 0.000 0.806 398 L CB 1.721 43.803 42.059 0.039 0.000 1.146 398 L HN 0.651 nan 8.230 nan 0.000 0.447 399 V N -1.361 118.596 119.914 0.072 0.000 3.130 399 V HA 0.507 4.625 4.120 -0.002 0.000 0.308 399 V C -0.370 175.845 176.094 0.202 0.000 1.413 399 V CA -1.048 61.318 62.300 0.109 0.000 1.053 399 V CB 1.329 33.206 31.823 0.090 0.000 1.075 399 V HN 0.811 nan 8.190 nan 0.000 0.465 400 H N 0.377 119.504 119.070 0.095 0.000 2.794 400 H HA 0.017 4.572 4.556 -0.002 0.000 0.324 400 H C -0.181 175.140 175.328 -0.012 0.000 1.037 400 H CA 1.718 57.808 56.048 0.071 0.000 1.062 400 H CB -0.931 28.905 29.762 0.124 0.000 1.622 400 H HN 2.343 nan 8.280 nan 0.000 0.371 401 G N 2.808 111.570 108.800 -0.064 0.000 2.328 401 G HA2 0.199 4.158 3.960 -0.002 0.000 0.299 401 G HA3 0.199 4.158 3.960 -0.002 0.000 0.299 401 G C -1.255 173.603 174.900 -0.071 0.000 1.435 401 G CA -0.551 44.498 45.100 -0.085 0.000 0.865 401 G HN 0.304 nan 8.290 nan 0.000 0.601 402 E N 0.308 120.457 120.200 -0.085 0.000 2.344 402 E HA 0.163 4.512 4.350 -0.002 0.000 0.270 402 E C 1.121 177.705 176.600 -0.026 0.000 1.021 402 E CA 0.064 56.434 56.400 -0.050 0.000 0.887 402 E CB 2.093 31.762 29.700 -0.051 0.000 0.997 402 E HN 0.689 nan 8.360 nan 0.000 0.429 403 E N 3.116 123.309 120.200 -0.011 0.000 2.136 403 E HA -0.359 3.989 4.350 -0.002 0.000 0.208 403 E C 0.976 177.575 176.600 -0.002 0.000 1.035 403 E CA 2.161 58.560 56.400 -0.001 0.000 0.838 403 E CB 0.211 29.912 29.700 0.002 0.000 0.748 403 E HN 0.489 nan 8.360 nan 0.000 0.459 404 E N 0.718 120.916 120.200 -0.004 0.000 2.049 404 E HA -0.217 4.131 4.350 -0.002 0.000 0.198 404 E C 2.026 178.625 176.600 -0.002 0.000 1.007 404 E CA 1.544 57.944 56.400 -0.001 0.000 0.809 404 E CB -0.144 29.556 29.700 -0.000 0.000 0.749 404 E HN 0.176 nan 8.360 nan 0.000 0.450 405 K N 0.245 120.638 120.400 -0.012 0.000 2.063 405 K HA -0.130 4.189 4.320 -0.002 0.000 0.208 405 K C 2.121 178.720 176.600 -0.002 0.000 1.048 405 K CA 0.930 57.207 56.287 -0.016 0.000 0.928 405 K CB -0.618 31.851 32.500 -0.052 0.000 0.713 405 K HN 0.114 nan 8.250 nan 0.000 0.442 406 L N 0.609 121.832 121.223 0.000 0.000 1.994 406 L HA -0.148 4.191 4.340 -0.002 0.000 0.208 406 L C 2.354 179.233 176.870 0.015 0.000 1.071 406 L CA 1.209 56.056 54.840 0.013 0.000 0.745 406 L CB -1.012 41.057 42.059 0.016 0.000 0.892 406 L HN 0.008 nan 8.230 nan 0.000 0.431 407 L N -0.514 120.716 121.223 0.011 0.000 2.081 407 L HA -0.223 4.115 4.340 -0.002 0.000 0.212 407 L C 2.603 179.481 176.870 0.013 0.000 1.080 407 L CA 2.018 56.865 54.840 0.011 0.000 0.754 407 L CB -1.501 40.563 42.059 0.008 0.000 0.893 407 L HN 0.272 nan 8.230 nan 0.000 0.433 408 A N -0.775 122.053 122.820 0.013 0.000 1.845 408 A HA -0.190 4.129 4.320 -0.002 0.000 0.215 408 A C 2.253 179.849 177.584 0.019 0.000 1.195 408 A CA 1.758 53.805 52.037 0.016 0.000 0.616 408 A CB -0.939 18.070 19.000 0.016 0.000 0.832 408 A HN 0.343 nan 8.150 nan 0.000 0.443 409 L N 0.023 121.260 121.223 0.022 0.000 2.017 409 L HA -0.129 4.209 4.340 -0.002 0.000 0.208 409 L C 2.405 179.291 176.870 0.027 0.000 1.073 409 L CA 2.609 57.466 54.840 0.028 0.000 0.745 409 L CB -1.734 40.346 42.059 0.034 0.000 0.894 409 L HN 0.416 nan 8.230 nan 0.000 0.432 410 G N 0.065 108.879 108.800 0.024 0.000 2.469 410 G HA2 -0.384 3.575 3.960 -0.002 0.000 0.219 410 G HA3 -0.384 3.575 3.960 -0.002 0.000 0.219 410 G C 1.726 176.637 174.900 0.018 0.000 1.150 410 G CA 1.139 46.252 45.100 0.022 0.000 0.763 410 G HN 0.460 nan 8.290 nan 0.000 0.561 411 K N -0.289 120.121 120.400 0.016 0.000 1.991 411 K HA -0.069 4.250 4.320 -0.002 0.000 0.212 411 K C 2.506 179.114 176.600 0.015 0.000 1.049 411 K CA 1.245 57.541 56.287 0.014 0.000 0.932 411 K CB -0.363 32.145 32.500 0.013 0.000 0.717 411 K HN 0.182 nan 8.250 nan 0.000 0.441 412 L N 1.436 122.669 121.223 0.017 0.000 2.051 412 L HA -0.232 4.106 4.340 -0.002 0.000 0.214 412 L C 2.250 179.130 176.870 0.017 0.000 1.076 412 L CA 1.615 56.466 54.840 0.018 0.000 0.758 412 L CB -0.649 41.423 42.059 0.021 0.000 0.890 412 L HN 0.278 nan 8.230 nan 0.000 0.433 413 L N -1.384 119.851 121.223 0.020 0.000 2.191 413 L HA -0.215 4.123 4.340 -0.002 0.000 0.212 413 L C 2.608 179.484 176.870 0.012 0.000 1.103 413 L CA 0.990 55.841 54.840 0.018 0.000 0.769 413 L CB -0.819 41.254 42.059 0.023 0.000 0.908 413 L HN 0.326 nan 8.230 nan 0.000 0.438 414 A N 0.273 123.099 122.820 0.011 0.000 1.872 414 A HA -0.085 4.233 4.320 -0.002 0.000 0.214 414 A C 2.179 179.767 177.584 0.006 0.000 1.187 414 A CA 0.930 52.971 52.037 0.007 0.000 0.614 414 A CB -0.583 18.421 19.000 0.008 0.000 0.826 414 A HN 0.331 nan 8.150 nan 0.000 0.442 415 L N -1.022 120.205 121.223 0.008 0.000 2.265 415 L HA -0.088 4.251 4.340 -0.002 0.000 0.215 415 L C 2.464 179.337 176.870 0.005 0.000 1.117 415 L CA 1.197 56.041 54.840 0.007 0.000 0.782 415 L CB -0.277 41.787 42.059 0.009 0.000 0.914 415 L HN 0.390 nan 8.230 nan 0.000 0.441 416 R N 0.373 120.876 120.500 0.006 0.000 2.356 416 R HA 0.098 4.437 4.340 -0.002 0.000 0.234 416 R C 0.899 177.199 176.300 -0.000 0.000 0.929 416 R CA 0.539 56.641 56.100 0.003 0.000 1.084 416 R CB 0.076 30.379 30.300 0.004 0.000 1.105 416 R HN 0.270 nan 8.270 nan 0.000 0.515 417 G N 1.330 110.130 108.800 0.000 0.000 2.225 417 G HA2 -0.300 3.659 3.960 -0.002 0.000 0.264 417 G HA3 -0.300 3.659 3.960 -0.002 0.000 0.264 417 G C -0.514 174.383 174.900 -0.004 0.000 1.060 417 G CA 0.111 45.209 45.100 -0.002 0.000 0.833 417 G HN 0.462 nan 8.290 nan 0.000 0.498 418 Q N -0.426 119.373 119.800 -0.002 0.000 2.316 418 Q HA 0.419 4.758 4.340 -0.002 0.000 0.264 418 Q C 0.036 176.035 176.000 -0.001 0.000 0.987 418 Q CA -0.664 55.136 55.803 -0.003 0.000 0.852 418 Q CB 1.849 30.585 28.738 -0.002 0.000 1.287 418 Q HN 0.479 nan 8.270 nan 0.000 0.448 419 E N 2.755 122.953 120.200 -0.003 0.000 2.159 419 E HA 0.174 4.523 4.350 -0.002 0.000 0.272 419 E C -1.292 175.309 176.600 0.001 0.000 1.138 419 E CA -0.138 56.261 56.400 -0.002 0.000 0.915 419 E CB 0.597 30.294 29.700 -0.005 0.000 1.028 419 E HN 0.293 nan 8.360 nan 0.000 0.423 420 V N 3.705 123.621 119.914 0.003 0.000 3.046 420 V HA 0.739 4.858 4.120 -0.002 0.000 0.316 420 V C -0.692 175.404 176.094 0.005 0.000 1.104 420 V CA 0.200 62.504 62.300 0.007 0.000 1.006 420 V CB 2.308 34.139 31.823 0.013 0.000 1.058 420 V HN 0.888 nan 8.190 nan 0.000 0.440 421 S N 4.202 119.905 115.700 0.005 0.000 2.724 421 S HA 0.724 5.192 4.470 -0.002 0.000 0.278 421 S C -1.832 172.769 174.600 0.003 0.000 1.190 421 S CA -0.781 57.420 58.200 0.002 0.000 0.860 421 S CB 1.337 64.534 63.200 -0.005 0.000 1.206 421 S HN 0.691 nan 8.310 nan 0.000 0.507 422 L N 1.181 122.403 121.223 -0.000 0.000 2.342 422 L HA 0.852 5.190 4.340 -0.002 0.000 0.271 422 L C 0.287 177.151 176.870 -0.011 0.000 1.008 422 L CA -0.446 54.394 54.840 0.001 0.000 0.818 422 L CB 1.618 43.682 42.059 0.008 0.000 1.296 422 L HN 1.095 nan 8.230 nan 0.000 0.427 423 A N 3.576 126.385 122.820 -0.018 0.000 2.366 423 A HA 0.659 4.978 4.320 -0.002 0.000 0.272 423 A C -0.105 177.470 177.584 -0.015 0.000 1.135 423 A CA -0.331 51.680 52.037 -0.044 0.000 0.804 423 A CB 0.094 19.043 19.000 -0.084 0.000 1.064 423 A HN 0.687 nan 8.150 nan 0.000 0.499 424 R N 1.345 121.828 120.500 -0.028 0.000 2.514 424 R HA 0.329 4.668 4.340 -0.002 0.000 0.301 424 R C -0.743 175.557 176.300 -0.001 0.000 0.962 424 R CA -0.606 55.503 56.100 0.014 0.000 0.882 424 R CB 1.563 31.870 30.300 0.012 0.000 1.143 424 R HN 0.727 nan 8.270 nan 0.000 0.452 425 F N 1.655 121.573 119.950 -0.053 0.000 2.635 425 F HA -0.015 4.511 4.527 -0.002 0.000 0.379 425 F C 1.471 177.175 175.800 -0.159 0.000 1.094 425 F CA 2.189 60.141 58.000 -0.079 0.000 1.300 425 F CB 0.503 39.499 39.000 -0.007 0.000 1.035 425 F HN 0.909 nan 8.300 nan 0.000 0.581 426 G N 3.623 111.799 108.800 -1.039 0.000 2.228 426 G HA2 -0.357 3.602 3.960 -0.002 0.000 0.270 426 G HA3 -0.357 3.602 3.960 -0.002 0.000 0.270 426 G C 0.245 174.912 174.900 -0.389 0.000 0.976 426 G CA 0.451 45.084 45.100 -0.779 0.000 0.636 426 G HN 0.694 nan 8.290 nan 0.000 0.542 427 E N 1.259 121.290 120.200 -0.282 0.000 2.044 427 E HA 0.469 4.817 4.350 -0.002 0.000 0.282 427 E C 1.205 177.700 176.600 -0.175 0.000 1.031 427 E CA -0.021 56.284 56.400 -0.159 0.000 0.824 427 E CB 0.474 30.123 29.700 -0.084 0.000 1.076 427 E HN 0.412 nan 8.360 nan 0.000 0.395 428 G N 1.804 110.520 108.800 -0.141 0.000 2.630 428 G HA2 0.192 4.151 3.960 -0.002 0.000 0.236 428 G HA3 0.192 4.151 3.960 -0.002 0.000 0.236 428 G C -0.323 174.524 174.900 -0.088 0.000 1.248 428 G CA -0.272 44.759 45.100 -0.115 0.000 0.844 428 G HN 0.363 nan 8.290 nan 0.000 0.588 429 V N 3.954 123.819 119.914 -0.081 0.000 2.488 429 V HA 0.307 4.426 4.120 -0.002 0.000 0.293 429 V C -1.998 174.069 176.094 -0.046 0.000 1.027 429 V CA -1.277 60.986 62.300 -0.062 0.000 0.862 429 V CB 2.124 33.904 31.823 -0.071 0.000 1.008 429 V HN 0.760 nan 8.190 nan 0.000 0.428 430 P HA 0.181 nan 4.420 nan 0.000 0.268 430 P C -0.300 176.988 177.300 -0.019 0.000 1.205 430 P CA 0.328 63.414 63.100 -0.024 0.000 0.771 430 P CB 1.548 33.236 31.700 -0.019 0.000 0.858 431 V N 0.000 119.906 119.914 -0.014 0.000 2.409 431 V HA 0.000 4.119 4.120 -0.002 0.000 0.244 431 V CA 0.000 62.296 62.300 -0.006 0.000 1.235 431 V CB 0.000 31.823 31.823 0.001 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556