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 3idz_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRIVPFGAAR EVTGSAHLLL AGGRRVLLDC GMFQGKEEAR NHAPFGFDPK DATA SEQUENCE EVDAVLLTHA HLDHVGRLPK 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 VHTLGGFQGH 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 0.000 176.289 176.300 -0.018 0.000 1.140 1 M CA 0.000 55.293 55.300 -0.011 0.000 0.988 1 M CB 0.000 32.597 32.600 -0.005 0.000 1.302 2 R N 2.945 123.430 120.500 -0.025 0.000 2.744 2 R HA 0.795 5.140 4.340 0.009 0.000 0.279 2 R C -1.592 174.676 176.300 -0.053 0.000 0.977 2 R CA -0.935 55.142 56.100 -0.039 0.000 0.906 2 R CB 2.824 33.101 30.300 -0.039 0.000 1.197 2 R HN 0.633 nan 8.270 nan 0.000 0.463 3 I N 1.721 122.246 120.570 -0.075 0.000 2.436 3 I HA 0.305 4.480 4.170 0.009 0.000 0.289 3 I C -1.262 174.768 176.117 -0.145 0.000 1.010 3 I CA -0.662 60.577 61.300 -0.102 0.000 1.098 3 I CB 2.047 39.979 38.000 -0.112 0.000 1.266 3 I HN 0.311 nan 8.210 nan 0.000 0.434 4 V N 9.887 129.703 119.914 -0.164 0.000 2.313 4 V HA 0.419 4.544 4.120 0.009 0.000 0.278 4 V C -2.263 173.595 176.094 -0.394 0.000 1.017 4 V CA -1.732 60.383 62.300 -0.309 0.000 0.823 4 V CB 1.034 32.656 31.823 -0.334 0.000 1.010 4 V HN 0.644 nan 8.190 nan 0.000 0.443 5 P HA 0.101 nan 4.420 nan 0.000 0.261 5 P C -0.354 176.640 177.300 -0.510 0.000 1.203 5 P CA 0.412 63.437 63.100 -0.124 0.000 0.767 5 P CB 0.068 31.686 31.700 -0.137 0.000 0.785 6 F N 3.077 122.957 119.950 -0.117 0.000 2.805 6 F HA 0.509 5.041 4.527 0.007 0.000 0.317 6 F C 1.141 176.999 175.800 0.097 0.000 1.146 6 F CA 0.149 57.985 58.000 -0.275 0.000 1.265 6 F CB 0.531 39.495 39.000 -0.059 0.000 0.992 6 F HN 0.396 nan 8.300 nan 0.000 0.511 7 G N -1.449 107.507 108.800 0.259 0.000 2.321 7 G HA2 0.485 4.450 3.960 0.009 0.000 0.298 7 G HA3 0.485 4.450 3.960 0.009 0.000 0.298 7 G C -0.052 174.971 174.900 0.205 0.000 1.385 7 G CA -0.076 45.212 45.100 0.313 0.000 0.856 7 G HN 0.696 nan 8.290 nan 0.000 0.584 8 A N -2.083 120.842 122.820 0.175 0.000 2.826 8 A HA 0.276 4.601 4.320 0.009 0.000 0.274 8 A C 1.061 178.754 177.584 0.180 0.000 1.443 8 A CA 1.987 54.100 52.037 0.128 0.000 0.833 8 A CB -1.559 17.519 19.000 0.131 0.000 1.023 8 A HN 2.611 nan 8.150 nan 0.000 0.600 9 A N -0.623 122.322 122.820 0.208 0.000 2.249 9 A HA 0.693 5.018 4.320 0.009 0.000 0.314 9 A C 1.129 178.780 177.584 0.112 0.000 1.290 9 A CA 0.306 52.440 52.037 0.161 0.000 0.893 9 A CB 0.141 19.256 19.000 0.193 0.000 1.165 9 A HN 1.286 nan 8.150 nan 0.000 0.530 10 R N -0.005 120.537 120.500 0.070 0.000 3.863 10 R HA -0.219 4.126 4.340 0.009 0.000 0.313 10 R C 0.033 176.347 176.300 0.023 0.000 1.202 10 R CA 1.865 57.988 56.100 0.039 0.000 0.852 10 R CB -1.904 28.417 30.300 0.036 0.000 1.292 10 R HN 1.030 nan 8.270 nan 0.000 0.519 11 E N -2.178 118.035 120.200 0.021 0.000 2.447 11 E HA 0.356 4.711 4.350 0.009 0.000 0.279 11 E C 0.389 176.932 176.600 -0.095 0.000 1.053 11 E CA -0.450 55.941 56.400 -0.014 0.000 0.840 11 E CB 0.972 30.692 29.700 0.034 0.000 1.409 11 E HN -0.033 nan 8.360 nan 0.000 0.461 12 V N -2.490 117.322 119.914 -0.171 0.000 3.263 12 V HA 0.144 4.269 4.120 0.009 0.000 0.248 12 V C 0.970 176.825 176.094 -0.398 0.000 1.145 12 V CA 1.301 63.339 62.300 -0.436 0.000 1.107 12 V CB -0.175 31.407 31.823 -0.401 0.000 0.797 12 V HN 0.774 nan 8.190 nan 0.000 0.467 13 T N -2.563 111.907 114.554 -0.141 0.000 2.897 13 T HA 0.624 4.979 4.350 0.009 0.000 0.278 13 T C 1.171 175.766 174.700 -0.175 0.000 0.981 13 T CA 0.409 62.444 62.100 -0.109 0.000 0.973 13 T CB 0.958 69.828 68.868 0.003 0.000 1.092 13 T HN 1.751 nan 8.240 nan 0.000 0.543 14 G N 0.311 108.834 108.800 -0.461 0.000 2.143 14 G HA2 -0.255 3.710 3.960 0.009 0.000 0.249 14 G HA3 -0.255 3.710 3.960 0.009 0.000 0.249 14 G C 0.268 174.861 174.900 -0.512 0.000 0.981 14 G CA 0.092 44.633 45.100 -0.932 0.000 0.665 14 G HN 1.067 nan 8.290 nan 0.000 0.528 15 S N 0.599 116.054 115.700 -0.409 0.000 2.737 15 S HA 0.440 4.915 4.470 0.009 0.000 0.315 15 S C 0.574 174.911 174.600 -0.439 0.000 1.236 15 S CA 1.088 59.030 58.200 -0.431 0.000 1.093 15 S CB 0.358 63.173 63.200 -0.642 0.000 0.832 15 S HN 1.927 nan 8.310 nan 0.000 0.507 16 A N 5.242 127.685 122.820 -0.629 0.000 2.511 16 A HA 0.541 4.866 4.320 0.009 0.000 0.292 16 A C -1.318 175.902 177.584 -0.606 0.000 1.045 16 A CA -0.778 51.013 52.037 -0.409 0.000 0.870 16 A CB 0.971 19.932 19.000 -0.064 0.000 1.361 16 A HN 0.778 nan 8.150 nan 0.000 0.396 17 H N 2.333 121.327 119.070 -0.128 0.000 2.744 17 H HA 0.438 4.999 4.556 0.008 0.000 0.339 17 H C -1.270 173.940 175.328 -0.197 0.000 1.004 17 H CA -0.696 55.240 56.048 -0.187 0.000 1.257 17 H CB 1.863 31.399 29.762 -0.376 0.000 1.552 17 H HN 0.550 nan 8.280 nan 0.000 0.522 18 L N 4.183 125.381 121.223 -0.043 0.000 2.281 18 L HA 0.228 4.573 4.340 0.009 0.000 0.285 18 L C -0.704 176.103 176.870 -0.104 0.000 1.074 18 L CA -0.588 54.150 54.840 -0.172 0.000 0.817 18 L CB 0.558 42.452 42.059 -0.275 0.000 1.168 18 L HN 0.449 nan 8.230 nan 0.000 0.434 19 L N 6.520 127.684 121.223 -0.099 0.000 2.272 19 L HA 0.502 4.847 4.340 0.009 0.000 0.289 19 L C -1.178 175.659 176.870 -0.054 0.000 1.032 19 L CA -0.014 54.789 54.840 -0.062 0.000 0.810 19 L CB 0.866 42.904 42.059 -0.034 0.000 1.205 19 L HN 0.523 nan 8.230 nan 0.000 0.422 20 L N 6.586 127.784 121.223 -0.042 0.000 2.301 20 L HA 0.876 5.221 4.340 0.009 0.000 0.278 20 L C -0.197 176.661 176.870 -0.019 0.000 1.022 20 L CA -0.296 54.527 54.840 -0.029 0.000 0.854 20 L CB 0.865 42.910 42.059 -0.023 0.000 1.226 20 L HN 0.835 nan 8.230 nan 0.000 0.429 21 A N 1.475 124.287 122.820 -0.013 0.000 2.605 21 A HA 0.666 4.992 4.320 0.009 0.000 0.294 21 A C 0.515 178.097 177.584 -0.004 0.000 1.062 21 A CA 0.018 52.050 52.037 -0.007 0.000 0.682 21 A CB 1.355 20.352 19.000 -0.004 0.000 1.278 21 A HN 0.833 nan 8.150 nan 0.000 0.410 22 G N -0.179 108.618 108.800 -0.004 0.000 2.269 22 G HA2 0.168 4.133 3.960 0.009 0.000 0.277 22 G HA3 0.168 4.133 3.960 0.009 0.000 0.277 22 G C 1.824 176.723 174.900 -0.002 0.000 1.008 22 G CA 1.682 46.780 45.100 -0.003 0.000 0.774 22 G HN 2.962 nan 8.290 nan 0.000 0.511 23 G N -2.076 106.722 108.800 -0.002 0.000 2.147 23 G HA2 -0.209 3.756 3.960 0.009 0.000 0.244 23 G HA3 -0.209 3.756 3.960 0.009 0.000 0.244 23 G C 0.338 175.239 174.900 0.001 0.000 1.005 23 G CA 1.028 46.128 45.100 -0.000 0.000 0.713 23 G HN 0.941 nan 8.290 nan 0.000 0.515 24 R N -0.950 119.550 120.500 -0.001 0.000 2.888 24 R HA 0.690 5.036 4.340 0.009 0.000 0.266 24 R C -0.086 176.209 176.300 -0.008 0.000 1.020 24 R CA -0.946 55.155 56.100 0.001 0.000 0.963 24 R CB 1.178 31.480 30.300 0.004 0.000 1.197 24 R HN 0.305 nan 8.270 nan 0.000 0.481 25 R N 0.538 121.032 120.500 -0.010 0.000 2.412 25 R HA 0.419 4.764 4.340 0.009 0.000 0.304 25 R C -0.928 175.345 176.300 -0.045 0.000 1.066 25 R CA -0.549 55.528 56.100 -0.039 0.000 0.923 25 R CB 1.796 32.071 30.300 -0.042 0.000 1.156 25 R HN 0.156 nan 8.270 nan 0.000 0.513 26 V N 4.730 124.609 119.914 -0.057 0.000 2.357 26 V HA 0.251 4.377 4.120 0.009 0.000 0.284 26 V C -0.399 175.637 176.094 -0.097 0.000 1.018 26 V CA -0.871 61.401 62.300 -0.047 0.000 0.841 26 V CB 1.574 33.388 31.823 -0.016 0.000 0.991 26 V HN 0.506 nan 8.190 nan 0.000 0.437 27 L N 6.609 127.748 121.223 -0.140 0.000 2.281 27 L HA 0.470 4.816 4.340 0.009 0.000 0.285 27 L C -0.561 176.269 176.870 -0.066 0.000 1.074 27 L CA 0.087 54.811 54.840 -0.193 0.000 0.817 27 L CB 0.902 42.775 42.059 -0.309 0.000 1.168 27 L HN 0.456 nan 8.230 nan 0.000 0.434 28 L N 6.063 127.263 121.223 -0.037 0.000 2.270 28 L HA 0.475 4.820 4.340 0.009 0.000 0.286 28 L C -0.443 176.483 176.870 0.093 0.000 1.059 28 L CA 0.061 54.956 54.840 0.091 0.000 0.839 28 L CB -0.242 41.850 42.059 0.054 0.000 1.221 28 L HN 0.690 nan 8.230 nan 0.000 0.431 29 D N 1.329 121.825 120.400 0.159 0.000 10.806 29 D HA -0.251 4.394 4.640 0.009 0.000 0.351 29 D C -0.441 175.855 176.300 -0.007 0.000 3.130 29 D CA 0.376 54.451 54.000 0.125 0.000 2.646 29 D CB -0.197 40.740 40.800 0.228 0.000 1.204 29 D HN 0.655 nan 8.370 nan 0.000 0.941 30 C N 2.417 121.712 119.300 -0.008 0.000 3.104 30 C HA 0.534 4.999 4.460 0.009 0.000 0.206 30 C C 0.657 175.641 174.990 -0.011 0.000 1.429 30 C CA 0.455 59.472 59.018 -0.001 0.000 1.105 30 C CB -0.639 27.109 27.740 0.014 0.000 1.904 30 C HN 0.653 nan 8.230 nan 0.000 0.626 31 G N 2.447 111.178 108.800 -0.116 0.000 2.537 31 G HA2 0.549 4.515 3.960 0.009 0.000 0.273 31 G HA3 0.549 4.515 3.960 0.009 0.000 0.273 31 G C -0.099 174.667 174.900 -0.223 0.000 1.189 31 G CA -0.443 44.576 45.100 -0.136 0.000 0.881 31 G HN 0.829 nan 8.290 nan 0.000 0.535 32 M N -0.344 119.174 119.600 -0.137 0.000 2.371 32 M HA 0.706 5.191 4.480 0.009 0.000 0.301 32 M C -1.038 175.082 176.300 -0.301 0.000 1.173 32 M CA -0.531 54.655 55.300 -0.191 0.000 1.020 32 M CB 1.074 33.733 32.600 0.099 0.000 1.490 32 M HN 0.232 nan 8.290 nan 0.000 0.485 33 F N 0.539 120.439 119.950 -0.084 0.000 2.370 33 F HA 0.484 5.015 4.527 0.007 0.000 0.324 33 F C 0.365 176.144 175.800 -0.034 0.000 1.116 33 F CA -0.060 57.898 58.000 -0.070 0.000 1.123 33 F CB 1.074 40.011 39.000 -0.106 0.000 1.238 33 F HN 0.598 nan 8.300 nan 0.000 0.536 34 Q N -0.142 119.756 119.800 0.163 0.000 2.501 34 Q HA 0.570 4.915 4.340 0.009 0.000 0.288 34 Q C 0.236 176.290 176.000 0.089 0.000 1.051 34 Q CA -0.485 55.382 55.803 0.107 0.000 0.788 34 Q CB 2.569 31.350 28.738 0.071 0.000 1.469 34 Q HN 0.881 nan 8.270 nan 0.000 0.416 35 G N 1.189 110.036 108.800 0.078 0.000 2.536 35 G HA2 -0.388 3.578 3.960 0.009 0.000 0.280 35 G HA3 -0.388 3.578 3.960 0.009 0.000 0.280 35 G C 0.372 175.301 174.900 0.048 0.000 1.152 35 G CA 0.539 45.677 45.100 0.064 0.000 0.970 35 G HN 0.615 nan 8.290 nan 0.000 0.549 36 K N 1.084 121.503 120.400 0.032 0.000 2.283 36 K HA 0.012 4.337 4.320 0.009 0.000 0.202 36 K C 2.025 178.615 176.600 -0.016 0.000 1.048 36 K CA 1.478 57.770 56.287 0.008 0.000 0.948 36 K CB -0.060 32.440 32.500 -0.001 0.000 0.742 36 K HN 0.431 nan 8.250 nan 0.000 0.458 37 E N 0.956 121.150 120.200 -0.010 0.000 2.371 37 E HA -0.125 4.230 4.350 0.009 0.000 0.194 37 E C 1.516 178.088 176.600 -0.046 0.000 1.012 37 E CA 0.358 56.713 56.400 -0.074 0.000 0.860 37 E CB 0.073 29.746 29.700 -0.046 0.000 0.811 37 E HN 0.373 nan 8.360 nan 0.000 0.502 38 E N 1.321 121.546 120.200 0.042 0.000 2.200 38 E HA -0.308 4.047 4.350 0.009 0.000 0.211 38 E C 1.810 178.429 176.600 0.031 0.000 1.048 38 E CA 1.672 58.112 56.400 0.066 0.000 0.851 38 E CB -0.036 29.714 29.700 0.083 0.000 0.747 38 E HN 0.246 nan 8.360 nan 0.000 0.462 39 A N 0.663 123.498 122.820 0.025 0.000 2.019 39 A HA -0.156 4.169 4.320 0.009 0.000 0.219 39 A C 1.972 179.564 177.584 0.015 0.000 1.164 39 A CA 1.263 53.357 52.037 0.094 0.000 0.644 39 A CB -0.400 18.613 19.000 0.021 0.000 0.805 39 A HN 0.200 nan 8.150 nan 0.000 0.449 40 R N -0.295 120.099 120.500 -0.176 0.000 2.357 40 R HA -0.044 4.301 4.340 0.009 0.000 0.202 40 R C 1.016 177.176 176.300 -0.234 0.000 1.047 40 R CA 1.000 56.901 56.100 -0.331 0.000 1.034 40 R CB -0.441 29.365 30.300 -0.824 0.000 0.875 40 R HN 0.686 nan 8.270 nan 0.000 0.473 41 N N -0.453 118.083 118.700 -0.273 0.000 2.494 41 N HA -0.076 4.669 4.740 0.009 0.000 0.182 41 N C 1.142 176.165 175.510 -0.812 0.000 1.076 41 N CA 0.322 52.959 53.050 -0.688 0.000 0.908 41 N CB 0.154 37.892 38.487 -1.249 0.000 0.967 41 N HN 0.299 nan 8.380 nan 0.000 0.449 42 H N 0.120 119.010 119.070 -0.300 0.000 2.465 42 H HA 0.212 4.773 4.556 0.008 0.000 0.289 42 H C 1.012 176.236 175.328 -0.174 0.000 1.022 42 H CA 0.262 56.214 56.048 -0.161 0.000 1.340 42 H CB 0.029 29.745 29.762 -0.076 0.000 1.437 42 H HN 0.158 nan 8.280 nan 0.000 0.539 43 A N 3.155 125.912 122.820 -0.104 0.000 2.386 43 A HA 0.223 4.548 4.320 0.009 0.000 0.246 43 A C -1.720 175.742 177.584 -0.203 0.000 1.089 43 A CA -0.920 51.037 52.037 -0.133 0.000 0.790 43 A CB -0.242 18.658 19.000 -0.166 0.000 1.042 43 A HN 0.075 nan 8.150 nan 0.000 0.497 44 P HA 0.180 nan 4.420 nan 0.000 0.274 44 P C 0.061 177.256 177.300 -0.175 0.000 1.246 44 P CA -0.136 62.864 63.100 -0.166 0.000 0.795 44 P CB 0.372 32.037 31.700 -0.058 0.000 1.006 45 F N 0.304 120.117 119.950 -0.229 0.000 2.186 45 F HA 0.060 4.592 4.527 0.009 0.000 0.299 45 F C 2.203 177.894 175.800 -0.181 0.000 1.090 45 F CA 2.347 60.137 58.000 -0.349 0.000 1.307 45 F CB -0.805 37.528 39.000 -1.113 0.000 1.019 45 F HN 0.617 nan 8.300 nan 0.000 0.489 46 G N -0.658 108.144 108.800 0.004 0.000 2.184 46 G HA2 -0.218 3.747 3.960 0.009 0.000 0.206 46 G HA3 -0.218 3.747 3.960 0.009 0.000 0.206 46 G C 0.056 174.961 174.900 0.008 0.000 0.995 46 G CA -0.058 45.168 45.100 0.210 0.000 0.651 46 G HN 0.454 nan 8.290 nan 0.000 0.511 47 F N -1.009 118.758 119.950 -0.305 0.000 2.685 47 F HA 0.792 5.322 4.527 0.004 0.000 0.315 47 F C -1.022 174.675 175.800 -0.171 0.000 1.126 47 F CA -1.801 56.018 58.000 -0.302 0.000 0.950 47 F CB 0.997 39.639 39.000 -0.596 0.000 1.360 47 F HN -0.081 nan 8.300 nan 0.000 0.469 48 D N 2.885 123.336 120.400 0.086 0.000 2.380 48 D HA 0.334 4.980 4.640 0.009 0.000 0.230 48 D C -1.646 174.676 176.300 0.037 0.000 1.154 48 D CA -2.607 51.392 54.000 -0.001 0.000 0.859 48 D CB 1.382 42.206 40.800 0.040 0.000 1.045 48 D HN 0.322 nan 8.370 nan 0.000 0.495 49 P HA -0.098 nan 4.420 nan 0.000 0.236 49 P C 0.415 177.730 177.300 0.026 0.000 1.172 49 P CA 0.672 63.687 63.100 -0.143 0.000 0.759 49 P CB 0.359 31.853 31.700 -0.343 0.000 0.843 50 K N -0.487 119.928 120.400 0.025 0.000 2.354 50 K HA 0.078 4.403 4.320 0.009 0.000 0.194 50 K C 1.191 177.811 176.600 0.033 0.000 1.038 50 K CA 0.250 56.550 56.287 0.021 0.000 1.052 50 K CB 0.417 32.913 32.500 -0.006 0.000 0.861 50 K HN 0.029 nan 8.250 nan 0.000 0.535 51 E N 0.994 121.228 120.200 0.056 0.000 2.479 51 E HA 0.045 4.400 4.350 0.009 0.000 0.193 51 E C 0.009 176.641 176.600 0.053 0.000 1.049 51 E CA 0.103 56.530 56.400 0.045 0.000 0.870 51 E CB 0.393 30.119 29.700 0.043 0.000 0.944 51 E HN -0.064 nan 8.360 nan 0.000 0.492 52 V N 2.944 122.919 119.914 0.100 0.000 2.470 52 V HA 0.000 4.125 4.120 0.009 0.000 0.276 52 V C 1.165 177.380 176.094 0.201 0.000 1.040 52 V CA 0.042 62.406 62.300 0.107 0.000 1.008 52 V CB 1.133 32.982 31.823 0.042 0.000 0.990 52 V HN 0.028 nan 8.190 nan 0.000 0.477 53 D N 3.416 123.886 120.400 0.116 0.000 2.277 53 D HA 0.265 4.911 4.640 0.009 0.000 0.208 53 D C 0.641 177.050 176.300 0.182 0.000 0.962 53 D CA 1.244 55.309 54.000 0.109 0.000 0.865 53 D CB 0.808 41.644 40.800 0.060 0.000 0.939 53 D HN 0.718 nan 8.370 nan 0.000 0.510 54 A N -0.199 122.755 122.820 0.224 0.000 2.581 54 A HA 0.432 4.757 4.320 0.009 0.000 0.294 54 A C -1.692 175.990 177.584 0.163 0.000 1.035 54 A CA -0.612 51.600 52.037 0.293 0.000 0.684 54 A CB 1.218 20.400 19.000 0.305 0.000 1.282 54 A HN -0.033 nan 8.150 nan 0.000 0.417 55 V N 1.683 121.706 119.914 0.183 0.000 2.680 55 V HA 0.876 5.001 4.120 0.009 0.000 0.309 55 V C -1.660 174.557 176.094 0.205 0.000 1.052 55 V CA -0.763 61.580 62.300 0.070 0.000 0.908 55 V CB 1.472 33.225 31.823 -0.116 0.000 1.001 55 V HN 0.966 nan 8.190 nan 0.000 0.431 56 L N 6.329 127.660 121.223 0.179 0.000 2.341 56 L HA 0.640 4.985 4.340 0.009 0.000 0.278 56 L C -0.761 176.287 176.870 0.297 0.000 1.005 56 L CA -0.343 54.659 54.840 0.271 0.000 0.818 56 L CB 1.692 43.879 42.059 0.213 0.000 1.259 56 L HN 0.546 nan 8.230 nan 0.000 0.418 57 L N 2.420 123.837 121.223 0.325 0.000 2.296 57 L HA 0.424 4.769 4.340 0.009 0.000 0.286 57 L C 1.347 178.283 176.870 0.111 0.000 1.023 57 L CA 0.044 55.003 54.840 0.199 0.000 0.812 57 L CB 1.454 43.576 42.059 0.106 0.000 1.223 57 L HN 0.832 nan 8.230 nan 0.000 0.421 58 T N -0.568 114.043 114.554 0.095 0.000 2.942 58 T HA 0.058 4.413 4.350 0.009 0.000 0.265 58 T C 0.524 175.183 174.700 -0.070 0.000 1.062 58 T CA 1.043 63.116 62.100 -0.044 0.000 1.139 58 T CB -0.177 68.735 68.868 0.073 0.000 0.883 58 T HN 0.675 nan 8.240 nan 0.000 0.468 59 H N -2.356 116.596 119.070 -0.196 0.000 2.950 59 H HA 0.613 5.174 4.556 0.009 0.000 0.307 59 H C 0.537 175.781 175.328 -0.140 0.000 1.403 59 H CA -0.489 55.413 56.048 -0.244 0.000 1.145 59 H CB 1.037 30.614 29.762 -0.309 0.000 1.844 59 H HN 0.033 nan 8.280 nan 0.000 0.515 60 A N 0.052 122.811 122.820 -0.101 0.000 2.209 60 A HA -0.016 4.309 4.320 0.009 0.000 0.212 60 A C 0.549 178.142 177.584 0.015 0.000 1.158 60 A CA 0.201 52.192 52.037 -0.076 0.000 0.742 60 A CB -1.337 17.616 19.000 -0.078 0.000 0.790 60 A HN 0.665 nan 8.150 nan 0.000 0.472 61 H N -1.143 117.933 119.070 0.011 0.000 3.064 61 H HA 0.023 4.584 4.556 0.008 0.000 0.329 61 H C 1.241 176.600 175.328 0.051 0.000 1.020 61 H CA -0.422 55.669 56.048 0.071 0.000 1.402 61 H CB 0.657 30.543 29.762 0.206 0.000 1.379 61 H HN 0.215 nan 8.280 nan 0.000 0.594 62 L N 2.846 124.189 121.223 0.201 0.000 2.189 62 L HA -0.199 4.146 4.340 0.009 0.000 0.214 62 L C 1.874 178.811 176.870 0.111 0.000 1.097 62 L CA 1.717 56.637 54.840 0.133 0.000 0.764 62 L CB -0.464 41.665 42.059 0.117 0.000 0.900 62 L HN 0.783 nan 8.230 nan 0.000 0.436 63 D N -3.283 117.196 120.400 0.132 0.000 2.324 63 D HA -0.127 4.518 4.640 0.009 0.000 0.235 63 D C 1.224 177.516 176.300 -0.015 0.000 1.095 63 D CA 0.531 54.567 54.000 0.059 0.000 0.871 63 D CB -0.237 40.606 40.800 0.071 0.000 0.906 63 D HN 0.517 nan 8.370 nan 0.000 0.522 64 H N -0.545 118.503 119.070 -0.036 0.000 3.643 64 H HA 0.111 4.672 4.556 0.009 0.000 0.256 64 H C 1.423 176.711 175.328 -0.066 0.000 1.107 64 H CA 0.582 56.578 56.048 -0.087 0.000 1.175 64 H CB 1.806 31.390 29.762 -0.297 0.000 1.519 64 H HN 0.168 nan 8.280 nan 0.000 0.565 65 V N -3.221 116.729 119.914 0.061 0.000 3.382 65 V HA 0.430 4.556 4.120 0.009 0.000 0.296 65 V C 1.868 177.991 176.094 0.048 0.000 1.529 65 V CA 0.738 63.063 62.300 0.041 0.000 1.048 65 V CB 0.343 32.180 31.823 0.023 0.000 0.878 65 V HN 0.180 nan 8.190 nan 0.000 0.442 66 G N 0.978 109.825 108.800 0.078 0.000 2.470 66 G HA2 -0.139 3.826 3.960 0.009 0.000 0.220 66 G HA3 -0.139 3.826 3.960 0.009 0.000 0.220 66 G C 1.551 176.597 174.900 0.244 0.000 1.121 66 G CA 0.805 45.999 45.100 0.155 0.000 0.766 66 G HN 0.510 nan 8.290 nan 0.000 0.553 67 R N -0.807 119.799 120.500 0.176 0.000 2.362 67 R HA 0.268 4.614 4.340 0.009 0.000 0.227 67 R C 1.881 178.328 176.300 0.245 0.000 0.905 67 R CA -0.420 55.842 56.100 0.271 0.000 1.067 67 R CB 0.013 30.412 30.300 0.165 0.000 1.078 67 R HN 0.294 nan 8.270 nan 0.000 0.516 68 L N 2.659 123.947 121.223 0.109 0.000 2.012 68 L HA -0.075 4.270 4.340 0.009 0.000 0.210 68 L C -1.005 175.960 176.870 0.159 0.000 1.073 68 L CA 2.076 56.984 54.840 0.114 0.000 0.748 68 L CB -0.714 41.396 42.059 0.085 0.000 0.891 68 L HN 0.021 nan 8.230 nan 0.000 0.431 69 P HA -0.228 nan 4.420 nan 0.000 0.222 69 P C 1.332 178.667 177.300 0.058 0.000 1.147 69 P CA 1.492 64.488 63.100 -0.174 0.000 0.790 69 P CB -0.123 31.049 31.700 -0.880 0.000 0.780 70 K N -0.125 120.383 120.400 0.180 0.000 2.103 70 K HA -0.090 4.235 4.320 0.009 0.000 0.204 70 K C 2.132 178.951 176.600 0.364 0.000 1.052 70 K CA 0.513 57.019 56.287 0.365 0.000 0.945 70 K CB -0.529 32.254 32.500 0.470 0.000 0.722 70 K HN -0.040 nan 8.250 nan 0.000 0.443 71 L N 0.730 122.130 121.223 0.296 0.000 2.079 71 L HA -0.105 4.240 4.340 0.009 0.000 0.210 71 L C 1.733 178.540 176.870 -0.105 0.000 1.081 71 L CA 1.688 56.485 54.840 -0.072 0.000 0.752 71 L CB -0.335 41.498 42.059 -0.377 0.000 0.896 71 L HN 0.136 nan 8.230 nan 0.000 0.433 72 F N -0.972 119.017 119.950 0.064 0.000 2.335 72 F HA 0.014 4.549 4.527 0.013 0.000 0.296 72 F C 2.646 178.487 175.800 0.068 0.000 1.091 72 F CA 1.035 59.075 58.000 0.067 0.000 1.399 72 F CB -0.368 38.647 39.000 0.026 0.000 1.067 72 F HN -0.004 nan 8.300 nan 0.000 0.520 73 R N 1.160 121.810 120.500 0.250 0.000 2.081 73 R HA -0.141 4.204 4.340 0.009 0.000 0.235 73 R C 0.907 177.295 176.300 0.146 0.000 1.131 73 R CA 1.653 57.870 56.100 0.193 0.000 0.960 73 R CB -0.294 30.134 30.300 0.214 0.000 0.856 73 R HN 0.288 nan 8.270 nan 0.000 0.436 74 E N -0.956 119.327 120.200 0.139 0.000 2.320 74 E HA 0.113 4.468 4.350 0.009 0.000 0.189 74 E C 0.501 177.126 176.600 0.042 0.000 1.100 74 E CA 0.288 56.745 56.400 0.095 0.000 1.009 74 E CB 0.720 30.496 29.700 0.127 0.000 1.145 74 E HN 0.683 nan 8.360 nan 0.000 0.454 75 G N 1.319 110.141 108.800 0.037 0.000 2.424 75 G HA2 -0.328 3.638 3.960 0.009 0.000 0.207 75 G HA3 -0.328 3.638 3.960 0.009 0.000 0.207 75 G C 0.073 174.933 174.900 -0.067 0.000 1.061 75 G CA -0.233 44.865 45.100 -0.003 0.000 0.657 75 G HN 0.420 nan 8.290 nan 0.000 0.508 76 Y N 2.795 122.932 120.300 -0.272 0.000 2.903 76 Y HA 0.357 4.911 4.550 0.006 0.000 0.338 76 Y C 1.386 176.975 175.900 -0.518 0.000 1.265 76 Y CA 1.208 59.041 58.100 -0.446 0.000 1.532 76 Y CB 0.495 38.548 38.460 -0.678 0.000 1.293 76 Y HN 0.218 nan 8.280 nan 0.000 0.609 77 R N 4.025 123.855 120.500 -1.117 0.000 2.544 77 R HA 0.190 4.535 4.340 0.009 0.000 0.426 77 R C 0.326 176.143 176.300 -0.804 0.000 0.943 77 R CA 0.358 56.018 56.100 -0.732 0.000 1.162 77 R CB 0.428 30.574 30.300 -0.258 0.000 1.588 77 R HN 0.865 nan 8.270 nan 0.000 0.563 78 G N 2.280 110.104 108.800 -1.626 0.000 2.621 78 G HA2 0.313 4.278 3.960 0.009 0.000 0.271 78 G HA3 0.313 4.278 3.960 0.009 0.000 0.271 78 G C -2.376 172.513 174.900 -0.018 0.000 1.236 78 G CA -0.722 43.968 45.100 -0.683 0.000 0.958 78 G HN -0.127 nan 8.290 nan 0.000 0.512 79 P HA 0.292 nan 4.420 nan 0.000 0.278 79 P C -0.821 176.574 177.300 0.159 0.000 1.238 79 P CA -0.294 62.872 63.100 0.110 0.000 0.794 79 P CB 1.745 33.398 31.700 -0.077 0.000 0.955 80 V N 3.835 123.769 119.914 0.032 0.000 2.349 80 V HA 0.239 4.364 4.120 0.009 0.000 0.284 80 V C -0.479 175.576 176.094 -0.064 0.000 1.014 80 V CA -0.547 61.814 62.300 0.102 0.000 0.826 80 V CB 0.071 32.028 31.823 0.224 0.000 1.009 80 V HN 0.382 nan 8.190 nan 0.000 0.431 81 Y N 2.793 123.164 120.300 0.118 0.000 2.308 81 Y HA 0.778 5.332 4.550 0.007 0.000 0.329 81 Y C 0.546 176.558 175.900 0.187 0.000 1.111 81 Y CA -0.220 57.938 58.100 0.097 0.000 1.179 81 Y CB 1.692 40.153 38.460 0.002 0.000 1.201 81 Y HN 0.772 nan 8.280 nan 0.000 0.483 82 A N 0.689 123.709 122.820 0.333 0.000 2.599 82 A HA 0.541 4.866 4.320 0.009 0.000 0.294 82 A C -0.336 177.335 177.584 0.146 0.000 1.055 82 A CA -0.757 51.441 52.037 0.268 0.000 0.683 82 A CB 0.254 19.304 19.000 0.083 0.000 1.278 82 A HN 0.741 nan 8.150 nan 0.000 0.412 83 T N -0.546 113.978 114.554 -0.049 0.000 2.903 83 T HA 0.273 4.628 4.350 0.009 0.000 0.314 83 T C 1.166 175.786 174.700 -0.134 0.000 1.078 83 T CA 0.440 62.458 62.100 -0.136 0.000 1.114 83 T CB 0.539 69.166 68.868 -0.402 0.000 0.987 83 T HN 0.726 nan 8.240 nan 0.000 0.548 84 R N 1.836 122.317 120.500 -0.032 0.000 2.119 84 R HA -0.116 4.230 4.340 0.009 0.000 0.246 84 R C 2.731 178.921 176.300 -0.184 0.000 1.146 84 R CA 2.092 58.177 56.100 -0.025 0.000 0.962 84 R CB -1.266 29.102 30.300 0.114 0.000 0.863 84 R HN 0.909 nan 8.270 nan 0.000 0.442 85 A N -0.938 121.567 122.820 -0.525 0.000 1.865 85 A HA -0.202 4.124 4.320 0.009 0.000 0.217 85 A C 2.211 179.532 177.584 -0.439 0.000 1.191 85 A CA 2.272 53.866 52.037 -0.739 0.000 0.623 85 A CB -1.135 16.872 19.000 -1.656 0.000 0.826 85 A HN 0.442 nan 8.150 nan 0.000 0.444 86 T N -0.286 114.025 114.554 -0.405 0.000 2.746 86 T HA -0.122 4.233 4.350 0.009 0.000 0.267 86 T C 1.874 176.479 174.700 -0.159 0.000 1.039 86 T CA 1.517 63.466 62.100 -0.252 0.000 1.142 86 T CB -0.497 68.234 68.868 -0.227 0.000 0.866 86 T HN 0.158 nan 8.240 nan 0.000 0.444 87 V N 1.481 121.314 119.914 -0.136 0.000 2.287 87 V HA -0.159 3.966 4.120 0.009 0.000 0.248 87 V C 2.472 178.519 176.094 -0.078 0.000 1.053 87 V CA 1.628 63.878 62.300 -0.083 0.000 1.027 87 V CB -0.656 31.131 31.823 -0.060 0.000 0.646 87 V HN 0.439 nan 8.190 nan 0.000 0.447 88 L N -1.038 120.129 121.223 -0.092 0.000 2.072 88 L HA -0.126 4.219 4.340 0.009 0.000 0.205 88 L C 2.362 179.198 176.870 -0.056 0.000 1.079 88 L CA 1.290 56.091 54.840 -0.065 0.000 0.752 88 L CB -0.452 41.571 42.059 -0.060 0.000 0.906 88 L HN 0.288 nan 8.230 nan 0.000 0.436 89 L N -1.157 120.016 121.223 -0.083 0.000 2.056 89 L HA -0.224 4.121 4.340 0.009 0.000 0.207 89 L C 2.663 179.515 176.870 -0.031 0.000 1.078 89 L CA 1.103 55.912 54.840 -0.051 0.000 0.749 89 L CB -0.401 41.609 42.059 -0.082 0.000 0.901 89 L HN 0.309 nan 8.230 nan 0.000 0.433 90 M N -0.151 119.420 119.600 -0.048 0.000 2.143 90 M HA -0.315 4.170 4.480 0.009 0.000 0.258 90 M C 2.226 178.515 176.300 -0.018 0.000 1.071 90 M CA 1.902 57.184 55.300 -0.031 0.000 1.088 90 M CB -0.147 32.428 32.600 -0.043 0.000 1.360 90 M HN 0.279 nan 8.290 nan 0.000 0.404 91 E N 0.364 120.550 120.200 -0.023 0.000 2.051 91 E HA -0.201 4.154 4.350 0.009 0.000 0.192 91 E C 1.767 178.370 176.600 0.005 0.000 0.991 91 E CA 1.477 57.868 56.400 -0.015 0.000 0.799 91 E CB -0.113 29.575 29.700 -0.020 0.000 0.748 91 E HN 0.590 nan 8.360 nan 0.000 0.449 92 I N 0.487 121.064 120.570 0.011 0.000 2.315 92 I HA -0.231 3.944 4.170 0.009 0.000 0.248 92 I C 2.327 178.469 176.117 0.041 0.000 1.117 92 I CA 0.567 61.882 61.300 0.026 0.000 1.404 92 I CB -0.140 37.876 38.000 0.027 0.000 1.071 92 I HN 0.067 nan 8.210 nan 0.000 0.419 93 V N 0.561 120.501 119.914 0.043 0.000 2.358 93 V HA -0.245 3.880 4.120 0.009 0.000 0.246 93 V C 2.362 178.501 176.094 0.075 0.000 1.047 93 V CA 1.449 63.788 62.300 0.066 0.000 1.035 93 V CB -0.473 31.392 31.823 0.070 0.000 0.658 93 V HN 0.270 nan 8.190 nan 0.000 0.452 94 L N -0.269 120.988 121.223 0.055 0.000 2.044 94 L HA -0.038 4.308 4.340 0.009 0.000 0.205 94 L C 2.589 179.522 176.870 0.104 0.000 1.075 94 L CA 1.601 56.484 54.840 0.072 0.000 0.747 94 L CB -1.252 40.806 42.059 -0.000 0.000 0.903 94 L HN 0.295 nan 8.230 nan 0.000 0.435 95 E N -0.282 119.958 120.200 0.066 0.000 2.049 95 E HA -0.309 4.047 4.350 0.009 0.000 0.198 95 E C 1.880 178.520 176.600 0.066 0.000 1.007 95 E CA 1.790 58.228 56.400 0.063 0.000 0.809 95 E CB -0.415 29.309 29.700 0.040 0.000 0.749 95 E HN 0.574 nan 8.360 nan 0.000 0.450 96 D N 0.314 120.753 120.400 0.064 0.000 2.104 96 D HA -0.129 4.516 4.640 0.009 0.000 0.194 96 D C 1.917 178.257 176.300 0.066 0.000 0.994 96 D CA 1.910 55.947 54.000 0.062 0.000 0.830 96 D CB -0.075 40.765 40.800 0.066 0.000 0.959 96 D HN 0.144 nan 8.370 nan 0.000 0.452 97 A N 0.155 123.030 122.820 0.093 0.000 1.978 97 A HA -0.128 4.197 4.320 0.009 0.000 0.220 97 A C 2.329 179.931 177.584 0.031 0.000 1.170 97 A CA 1.035 53.130 52.037 0.097 0.000 0.636 97 A CB -0.860 18.243 19.000 0.171 0.000 0.810 97 A HN 0.453 nan 8.150 nan 0.000 0.448 98 L N -0.743 120.509 121.223 0.048 0.000 1.988 98 L HA -0.173 4.172 4.340 0.009 0.000 0.207 98 L C 2.638 179.462 176.870 -0.076 0.000 1.071 98 L CA 2.171 56.965 54.840 -0.075 0.000 0.744 98 L CB -0.335 41.749 42.059 0.042 0.000 0.893 98 L HN 0.484 nan 8.230 nan 0.000 0.433 99 K N -0.530 119.861 120.400 -0.015 0.000 2.152 99 K HA -0.115 4.210 4.320 0.009 0.000 0.206 99 K C 0.348 176.944 176.600 -0.007 0.000 1.048 99 K CA 0.921 57.202 56.287 -0.009 0.000 0.933 99 K CB 0.166 32.674 32.500 0.014 0.000 0.721 99 K HN 0.203 nan 8.250 nan 0.000 0.447 100 V N 2.351 122.267 119.914 0.003 0.000 2.204 100 V HA 0.326 4.452 4.120 0.009 0.000 0.264 100 V C -0.617 175.480 176.094 0.005 0.000 1.106 100 V CA -0.273 62.036 62.300 0.016 0.000 0.947 100 V CB 0.345 32.193 31.823 0.041 0.000 1.164 100 V HN 0.260 nan 8.190 nan 0.000 0.461 101 M N 2.762 122.348 119.600 -0.024 0.000 2.284 101 M HA 0.315 4.800 4.480 0.009 0.000 0.281 101 M C 0.418 176.702 176.300 -0.026 0.000 1.083 101 M CA -0.510 54.770 55.300 -0.034 0.000 0.965 101 M CB 2.138 34.662 32.600 -0.127 0.000 1.717 101 M HN 0.561 nan 8.290 nan 0.000 0.479 102 D N 3.188 123.596 120.400 0.014 0.000 2.096 102 D HA -0.116 4.529 4.640 0.009 0.000 0.200 102 D C -0.248 176.067 176.300 0.025 0.000 0.980 102 D CA 1.500 55.515 54.000 0.024 0.000 0.860 102 D CB -0.058 40.769 40.800 0.045 0.000 1.005 102 D HN 0.525 nan 8.370 nan 0.000 0.449 103 E N 2.233 122.480 120.200 0.079 0.000 2.026 103 E HA 0.255 4.610 4.350 0.009 0.000 0.253 103 E C -2.000 174.694 176.600 0.157 0.000 1.056 103 E CA -1.800 54.681 56.400 0.136 0.000 0.927 103 E CB 1.225 31.055 29.700 0.215 0.000 1.172 103 E HN 0.403 nan 8.360 nan 0.000 0.445 104 P HA 0.012 nan 4.420 nan 0.000 0.271 104 P C 0.029 177.213 177.300 -0.193 0.000 1.226 104 P CA -0.205 62.713 63.100 -0.303 0.000 0.765 104 P CB 0.084 31.541 31.700 -0.405 0.000 0.835 105 F N 2.599 122.413 119.950 -0.226 0.000 2.660 105 F HA 0.452 4.984 4.527 0.008 0.000 0.297 105 F C -0.114 175.753 175.800 0.111 0.000 1.132 105 F CA -1.117 56.848 58.000 -0.059 0.000 1.372 105 F CB -0.557 38.301 39.000 -0.237 0.000 1.003 105 F HN 0.131 nan 8.300 nan 0.000 0.524 106 F N -1.668 118.115 119.950 -0.278 0.000 2.807 106 F HA 0.871 5.403 4.527 0.009 0.000 0.316 106 F C -0.371 175.347 175.800 -0.137 0.000 1.162 106 F CA -1.625 56.278 58.000 -0.161 0.000 0.910 106 F CB 0.695 39.572 39.000 -0.205 0.000 1.314 106 F HN 0.026 nan 8.300 nan 0.000 0.454 107 G N -0.530 108.410 108.800 0.233 0.000 2.816 107 G HA2 0.630 4.596 3.960 0.009 0.000 0.288 107 G HA3 0.630 4.596 3.960 0.009 0.000 0.288 107 G C -2.589 172.427 174.900 0.195 0.000 1.334 107 G CA -1.813 43.350 45.100 0.106 0.000 0.978 107 G HN 0.457 nan 8.290 nan 0.000 0.493 108 P HA -0.153 nan 4.420 nan 0.000 0.218 108 P C 1.391 178.734 177.300 0.071 0.000 1.148 108 P CA 1.501 64.652 63.100 0.085 0.000 0.822 108 P CB 0.177 31.904 31.700 0.043 0.000 0.784 109 E N 0.627 120.869 120.200 0.070 0.000 2.110 109 E HA -0.196 4.159 4.350 0.009 0.000 0.193 109 E C 1.354 177.988 176.600 0.058 0.000 0.988 109 E CA 1.228 57.662 56.400 0.056 0.000 0.804 109 E CB -1.170 28.566 29.700 0.060 0.000 0.745 109 E HN 0.297 nan 8.360 nan 0.000 0.458 110 D N 1.140 121.594 120.400 0.090 0.000 2.162 110 D HA -0.045 4.600 4.640 0.009 0.000 0.203 110 D C 2.303 178.572 176.300 -0.052 0.000 0.967 110 D CA 0.890 54.929 54.000 0.064 0.000 0.840 110 D CB 0.012 40.883 40.800 0.117 0.000 0.972 110 D HN 0.090 nan 8.370 nan 0.000 0.482 111 V N 1.612 121.504 119.914 -0.037 0.000 2.295 111 V HA -0.239 3.887 4.120 0.009 0.000 0.246 111 V C 2.556 178.583 176.094 -0.111 0.000 1.049 111 V CA 1.832 64.070 62.300 -0.104 0.000 1.024 111 V CB -0.508 31.314 31.823 -0.001 0.000 0.648 111 V HN 0.210 nan 8.190 nan 0.000 0.447 112 E N 0.113 120.277 120.200 -0.059 0.000 2.058 112 E HA -0.330 4.025 4.350 0.009 0.000 0.194 112 E C 2.203 178.738 176.600 -0.109 0.000 0.997 112 E CA 1.886 58.247 56.400 -0.065 0.000 0.801 112 E CB -0.106 29.578 29.700 -0.028 0.000 0.746 112 E HN 0.600 nan 8.360 nan 0.000 0.450 113 E N 0.327 120.465 120.200 -0.103 0.000 2.077 113 E HA -0.165 4.190 4.350 0.009 0.000 0.193 113 E C 1.708 178.053 176.600 -0.425 0.000 0.989 113 E CA 1.557 57.885 56.400 -0.120 0.000 0.800 113 E CB -0.361 29.335 29.700 -0.007 0.000 0.746 113 E HN 0.374 nan 8.360 nan 0.000 0.452 114 A N 0.380 122.814 122.820 -0.644 0.000 1.855 114 A HA -0.125 4.200 4.320 0.009 0.000 0.215 114 A C 2.311 179.573 177.584 -0.537 0.000 1.191 114 A CA 1.498 52.885 52.037 -1.084 0.000 0.613 114 A CB -0.846 17.834 19.000 -0.534 0.000 0.829 114 A HN 0.328 nan 8.150 nan 0.000 0.442 115 L N -0.414 120.638 121.223 -0.286 0.000 2.187 115 L HA -0.139 4.207 4.340 0.009 0.000 0.213 115 L C 2.698 179.476 176.870 -0.155 0.000 1.100 115 L CA 0.873 55.612 54.840 -0.168 0.000 0.765 115 L CB -0.808 41.181 42.059 -0.117 0.000 0.904 115 L HN 0.509 nan 8.230 nan 0.000 0.437 116 G N -1.096 107.597 108.800 -0.178 0.000 2.448 116 G HA2 -0.243 3.722 3.960 0.009 0.000 0.219 116 G HA3 -0.243 3.722 3.960 0.009 0.000 0.219 116 G C 0.935 175.662 174.900 -0.289 0.000 1.127 116 G CA 0.563 45.540 45.100 -0.205 0.000 0.766 116 G HN 0.475 nan 8.290 nan 0.000 0.552 117 H N -0.746 118.206 119.070 -0.196 0.000 2.549 117 H HA 0.376 4.938 4.556 0.010 0.000 0.279 117 H C 0.593 175.869 175.328 -0.086 0.000 1.018 117 H CA -0.528 55.471 56.048 -0.082 0.000 1.175 117 H CB 0.178 29.998 29.762 0.097 0.000 1.485 117 H HN 0.151 nan 8.280 nan 0.000 0.543 118 L N 1.588 122.793 121.223 -0.031 0.000 2.455 118 L HA 0.211 4.556 4.340 0.009 0.000 0.272 118 L C 0.295 177.103 176.870 -0.105 0.000 1.174 118 L CA 0.416 55.224 54.840 -0.054 0.000 0.869 118 L CB 0.555 42.583 42.059 -0.052 0.000 1.130 118 L HN 0.173 nan 8.230 nan 0.000 0.474 119 R N 4.409 124.811 120.500 -0.162 0.000 2.532 119 R HA 0.365 4.710 4.340 0.009 0.000 0.297 119 R C -2.518 173.764 176.300 -0.030 0.000 0.984 119 R CA -1.842 54.158 56.100 -0.166 0.000 0.884 119 R CB 2.133 32.200 30.300 -0.389 0.000 1.182 119 R HN 0.347 nan 8.270 nan 0.000 0.442 120 P HA 0.012 nan 4.420 nan 0.000 0.267 120 P C -0.997 176.380 177.300 0.129 0.000 1.205 120 P CA -0.212 62.929 63.100 0.069 0.000 0.765 120 P CB 0.927 32.652 31.700 0.041 0.000 0.828 121 L N 3.510 124.826 121.223 0.156 0.000 2.504 121 L HA 0.373 4.719 4.340 0.009 0.000 0.265 121 L C -0.242 176.699 176.870 0.119 0.000 0.975 121 L CA -0.371 54.536 54.840 0.112 0.000 0.864 121 L CB 1.268 43.358 42.059 0.051 0.000 1.212 121 L HN 0.168 nan 8.230 nan 0.000 0.416 122 E N 2.527 122.748 120.200 0.035 0.000 2.322 122 E HA 0.239 4.595 4.350 0.009 0.000 0.257 122 E C -0.868 175.709 176.600 -0.037 0.000 1.155 122 E CA -0.417 55.966 56.400 -0.029 0.000 0.936 122 E CB 0.379 30.089 29.700 0.016 0.000 1.130 122 E HN 0.421 nan 8.360 nan 0.000 0.465 123 Y N -0.196 120.146 120.300 0.070 0.000 2.610 123 Y HA 0.219 4.775 4.550 0.009 0.000 0.332 123 Y C 1.735 177.586 175.900 -0.083 0.000 1.201 123 Y CA 1.229 59.322 58.100 -0.012 0.000 1.465 123 Y CB 0.107 38.531 38.460 -0.061 0.000 1.283 123 Y HN 0.732 nan 8.280 nan 0.000 0.563 124 G N 1.529 110.307 108.800 -0.037 0.000 2.153 124 G HA2 -0.272 3.693 3.960 0.009 0.000 0.252 124 G HA3 -0.272 3.693 3.960 0.009 0.000 0.252 124 G C -0.269 174.535 174.900 -0.161 0.000 0.994 124 G CA -0.103 44.927 45.100 -0.116 0.000 0.698 124 G HN 0.623 nan 8.290 nan 0.000 0.521 125 E N -0.659 119.393 120.200 -0.248 0.000 2.129 125 E HA 0.422 4.777 4.350 0.009 0.000 0.268 125 E C -0.481 175.935 176.600 -0.307 0.000 0.900 125 E CA -0.890 55.417 56.400 -0.155 0.000 0.755 125 E CB 0.882 30.534 29.700 -0.080 0.000 1.117 125 E HN 0.340 nan 8.360 nan 0.000 0.410 126 W N 3.197 124.455 121.300 -0.070 0.000 2.272 126 W HA 0.261 4.925 4.660 0.007 0.000 0.318 126 W C -0.145 176.290 176.519 -0.141 0.000 1.255 126 W CA -0.489 56.795 57.345 -0.102 0.000 1.200 126 W CB 0.456 29.878 29.460 -0.063 0.000 1.170 126 W HN 0.324 nan 8.180 nan 0.000 0.549 127 L N 4.791 126.016 121.223 0.002 0.000 2.309 127 L HA 0.547 4.892 4.340 0.009 0.000 0.282 127 L C -0.464 176.389 176.870 -0.029 0.000 1.036 127 L CA -0.886 53.869 54.840 -0.141 0.000 0.806 127 L CB 0.787 42.601 42.059 -0.408 0.000 1.220 127 L HN 0.252 nan 8.230 nan 0.000 0.429 128 R N 6.387 126.864 120.500 -0.039 0.000 2.320 128 R HA 0.523 4.868 4.340 0.009 0.000 0.319 128 R C -1.577 174.711 176.300 -0.019 0.000 0.969 128 R CA -0.380 55.715 56.100 -0.009 0.000 0.857 128 R CB 0.905 31.209 30.300 0.005 0.000 1.160 128 R HN 0.641 nan 8.270 nan 0.000 0.491 129 L N 2.432 123.645 121.223 -0.017 0.000 2.372 129 L HA 0.406 4.751 4.340 0.009 0.000 0.273 129 L C 1.131 178.001 176.870 -0.001 0.000 0.989 129 L CA -0.494 54.342 54.840 -0.007 0.000 0.841 129 L CB 1.801 43.852 42.059 -0.012 0.000 1.225 129 L HN 0.853 nan 8.230 nan 0.000 0.414 130 G N 3.218 112.019 108.800 0.002 0.000 2.622 130 G HA2 -0.364 3.601 3.960 0.009 0.000 0.307 130 G HA3 -0.364 3.601 3.960 0.009 0.000 0.307 130 G C 0.545 175.442 174.900 -0.005 0.000 1.226 130 G CA 0.470 45.569 45.100 0.000 0.000 0.997 130 G HN 0.880 nan 8.290 nan 0.000 0.551 131 A N -0.900 121.916 122.820 -0.006 0.000 2.507 131 A HA 0.676 5.001 4.320 0.009 0.000 0.270 131 A C 0.359 177.938 177.584 -0.009 0.000 1.318 131 A CA 0.703 52.733 52.037 -0.012 0.000 0.924 131 A CB 0.071 19.063 19.000 -0.013 0.000 1.061 131 A HN 1.395 nan 8.150 nan 0.000 0.516 132 L N 0.510 121.732 121.223 -0.002 0.000 2.317 132 L HA 0.625 4.970 4.340 0.009 0.000 0.281 132 L C -0.436 176.450 176.870 0.027 0.000 1.024 132 L CA -0.071 54.775 54.840 0.011 0.000 0.810 132 L CB 1.734 43.799 42.059 0.010 0.000 1.240 132 L HN 0.049 nan 8.230 nan 0.000 0.427 133 S N 5.464 121.203 115.700 0.064 0.000 2.478 133 S HA 0.822 5.298 4.470 0.009 0.000 0.312 133 S C -0.947 173.824 174.600 0.284 0.000 1.094 133 S CA -0.447 57.851 58.200 0.162 0.000 1.081 133 S CB 1.281 64.526 63.200 0.075 0.000 1.007 133 S HN 0.396 nan 8.310 nan 0.000 0.475 134 L N 2.393 123.760 121.223 0.240 0.000 2.408 134 L HA 0.907 5.252 4.340 0.009 0.000 0.268 134 L C -0.178 176.530 176.870 -0.271 0.000 0.986 134 L CA -0.245 54.615 54.840 0.033 0.000 0.820 134 L CB 1.812 43.809 42.059 -0.103 0.000 1.303 134 L HN 0.802 nan 8.230 nan 0.000 0.411 135 A N 1.488 123.997 122.820 -0.519 0.000 2.556 135 A HA 0.875 5.200 4.320 0.009 0.000 0.294 135 A C -1.660 175.660 177.584 -0.440 0.000 1.091 135 A CA -0.429 51.100 52.037 -0.846 0.000 0.704 135 A CB 1.132 19.051 19.000 -1.802 0.000 1.300 135 A HN 0.322 nan 8.150 nan 0.000 0.406 136 F N 0.709 120.433 119.950 -0.376 0.000 2.404 136 F HA 0.626 5.159 4.527 0.009 0.000 0.339 136 F C 1.010 176.626 175.800 -0.307 0.000 1.105 136 F CA -0.654 57.173 58.000 -0.289 0.000 1.087 136 F CB 1.877 40.691 39.000 -0.310 0.000 1.143 136 F HN 0.710 nan 8.300 nan 0.000 0.491 137 G N 1.420 109.941 108.800 -0.466 0.000 2.473 137 G HA2 0.449 4.415 3.960 0.009 0.000 0.321 137 G HA3 0.449 4.415 3.960 0.009 0.000 0.321 137 G C -1.352 173.036 174.900 -0.853 0.000 1.200 137 G CA -0.723 43.762 45.100 -1.025 0.000 0.963 137 G HN 0.450 nan 8.290 nan 0.000 0.483 138 Q N 0.241 119.710 119.800 -0.551 0.000 2.262 138 Q HA 0.490 4.836 4.340 0.009 0.000 0.272 138 Q C 0.759 176.676 176.000 -0.138 0.000 1.076 138 Q CA 0.637 56.181 55.803 -0.431 0.000 0.905 138 Q CB 1.187 29.659 28.738 -0.444 0.000 1.182 138 Q HN 0.556 nan 8.270 nan 0.000 0.390 139 A N 3.684 126.449 122.820 -0.092 0.000 2.197 139 A HA 0.378 4.703 4.320 0.009 0.000 0.210 139 A C 1.319 178.857 177.584 -0.077 0.000 1.180 139 A CA 0.383 52.414 52.037 -0.010 0.000 0.846 139 A CB -0.489 18.467 19.000 -0.073 0.000 0.884 139 A HN 1.334 nan 8.150 nan 0.000 0.487 140 G N -0.613 108.124 108.800 -0.105 0.000 2.356 140 G HA2 -0.347 3.618 3.960 0.009 0.000 0.296 140 G HA3 -0.347 3.618 3.960 0.009 0.000 0.296 140 G C 0.450 175.287 174.900 -0.106 0.000 1.022 140 G CA 1.327 46.362 45.100 -0.109 0.000 0.961 140 G HN 0.893 nan 8.290 nan 0.000 0.510 141 H N -1.181 117.723 119.070 -0.276 0.000 2.800 141 H HA 0.639 5.200 4.556 0.009 0.000 0.257 141 H C 0.865 175.978 175.328 -0.359 0.000 0.967 141 H CA 0.644 56.485 56.048 -0.345 0.000 1.192 141 H CB 0.457 29.931 29.762 -0.480 0.000 1.441 141 H HN 0.363 nan 8.280 nan 0.000 0.461 142 L N 0.731 121.679 121.223 -0.459 0.000 2.518 142 L HA 0.399 4.744 4.340 0.009 0.000 0.257 142 L C -2.615 174.024 176.870 -0.384 0.000 0.980 142 L CA -2.381 52.176 54.840 -0.472 0.000 0.837 142 L CB 2.814 44.549 42.059 -0.541 0.000 1.410 142 L HN -0.009 nan 8.230 nan 0.000 0.410 143 P HA 0.123 nan 4.420 nan 0.000 0.262 143 P C 0.433 177.385 177.300 -0.581 0.000 1.199 143 P CA 0.864 63.621 63.100 -0.572 0.000 0.763 143 P CB 0.504 31.740 31.700 -0.773 0.000 0.790 144 G N 2.176 110.682 108.800 -0.491 0.000 2.132 144 G HA2 -0.219 3.746 3.960 0.009 0.000 0.234 144 G HA3 -0.219 3.746 3.960 0.009 0.000 0.234 144 G C 0.256 174.941 174.900 -0.358 0.000 0.989 144 G CA 0.143 44.922 45.100 -0.537 0.000 0.676 144 G HN 0.731 nan 8.290 nan 0.000 0.522 145 S N -0.438 115.119 115.700 -0.238 0.000 2.565 145 S HA 0.892 5.367 4.470 0.009 0.000 0.274 145 S C 0.249 174.737 174.600 -0.185 0.000 1.309 145 S CA 0.707 58.759 58.200 -0.247 0.000 1.043 145 S CB 2.328 65.350 63.200 -0.296 0.000 0.939 145 S HN 2.018 nan 8.310 nan 0.000 0.504 146 A N 2.104 124.744 122.820 -0.301 0.000 2.593 146 A HA 0.818 5.143 4.320 0.009 0.000 0.290 146 A C -0.776 176.706 177.584 -0.169 0.000 1.126 146 A CA -1.186 50.674 52.037 -0.295 0.000 0.695 146 A CB 0.910 19.510 19.000 -0.666 0.000 1.290 146 A HN 1.270 nan 8.150 nan 0.000 0.414 147 F N -0.492 119.458 119.950 -0.001 0.000 2.523 147 F HA 0.837 5.369 4.527 0.008 0.000 0.329 147 F C -0.601 175.310 175.800 0.185 0.000 1.061 147 F CA -1.285 56.722 58.000 0.011 0.000 0.967 147 F CB 1.432 40.499 39.000 0.113 0.000 1.218 147 F HN 0.278 nan 8.300 nan 0.000 0.480 148 V N 2.906 123.139 119.914 0.531 0.000 2.427 148 V HA 0.407 4.532 4.120 0.009 0.000 0.286 148 V C -0.395 175.952 176.094 0.421 0.000 1.034 148 V CA -0.816 61.760 62.300 0.460 0.000 0.893 148 V CB 1.462 33.548 31.823 0.439 0.000 0.982 148 V HN 0.710 nan 8.190 nan 0.000 0.452 149 V N 4.427 124.508 119.914 0.279 0.000 2.334 149 V HA 0.712 4.838 4.120 0.009 0.000 0.281 149 V C 0.339 176.545 176.094 0.186 0.000 1.016 149 V CA -0.450 61.996 62.300 0.244 0.000 0.832 149 V CB 1.378 33.344 31.823 0.239 0.000 0.999 149 V HN 0.957 nan 8.190 nan 0.000 0.439 150 A N 4.839 127.769 122.820 0.182 0.000 2.285 150 A HA 0.748 5.073 4.320 0.009 0.000 0.310 150 A C -0.484 177.183 177.584 0.137 0.000 1.266 150 A CA -0.511 51.614 52.037 0.147 0.000 0.832 150 A CB 1.213 20.276 19.000 0.105 0.000 1.163 150 A HN 0.611 nan 8.150 nan 0.000 0.499 151 Q N 1.828 121.720 119.800 0.153 0.000 2.330 151 Q HA 0.685 5.031 4.340 0.009 0.000 0.269 151 Q C -0.618 175.411 176.000 0.048 0.000 1.022 151 Q CA -0.129 55.731 55.803 0.095 0.000 0.796 151 Q CB 1.983 30.782 28.738 0.101 0.000 1.271 151 Q HN 1.347 nan 8.270 nan 0.000 0.450 152 G N 1.955 110.769 108.800 0.023 0.000 2.442 152 G HA2 0.312 4.277 3.960 0.009 0.000 0.296 152 G HA3 0.312 4.277 3.960 0.009 0.000 0.296 152 G C -1.152 173.747 174.900 -0.000 0.000 1.564 152 G CA -0.438 44.665 45.100 0.005 0.000 0.828 152 G HN 0.632 nan 8.290 nan 0.000 0.571 153 E N -0.911 119.285 120.200 -0.008 0.000 2.513 153 E HA -0.238 4.117 4.350 0.009 0.000 0.257 153 E C 1.425 178.020 176.600 -0.010 0.000 1.098 153 E CA 1.317 57.712 56.400 -0.009 0.000 0.752 153 E CB -1.372 28.325 29.700 -0.006 0.000 1.324 153 E HN 2.548 nan 8.360 nan 0.000 0.403 154 G N -0.125 108.667 108.800 -0.013 0.000 2.189 154 G HA2 -0.384 3.581 3.960 0.009 0.000 0.267 154 G HA3 -0.384 3.581 3.960 0.009 0.000 0.267 154 G C 0.305 175.199 174.900 -0.010 0.000 0.975 154 G CA 1.036 46.128 45.100 -0.014 0.000 0.644 154 G HN 0.301 nan 8.290 nan 0.000 0.537 155 R N -0.748 119.750 120.500 -0.003 0.000 2.919 155 R HA 0.707 5.052 4.340 0.009 0.000 0.260 155 R C -0.989 175.320 176.300 0.015 0.000 1.067 155 R CA -0.493 55.608 56.100 0.002 0.000 1.003 155 R CB 1.581 31.881 30.300 -0.000 0.000 1.192 155 R HN 0.120 nan 8.270 nan 0.000 0.488 156 T N 1.901 116.466 114.554 0.019 0.000 2.848 156 T HA 0.446 4.801 4.350 0.009 0.000 0.285 156 T C -1.095 173.628 174.700 0.038 0.000 0.995 156 T CA -0.626 61.499 62.100 0.041 0.000 0.970 156 T CB 1.363 70.256 68.868 0.042 0.000 0.976 156 T HN 0.345 nan 8.240 nan 0.000 0.441 157 L N 3.605 124.865 121.223 0.062 0.000 2.354 157 L HA 0.921 5.266 4.340 0.009 0.000 0.269 157 L C -1.530 175.404 176.870 0.107 0.000 1.005 157 L CA -0.617 54.262 54.840 0.064 0.000 0.819 157 L CB 1.831 43.925 42.059 0.059 0.000 1.311 157 L HN 0.451 nan 8.230 nan 0.000 0.423 158 V N 4.765 124.742 119.914 0.106 0.000 2.525 158 V HA 0.337 4.462 4.120 0.009 0.000 0.299 158 V C -1.290 174.957 176.094 0.255 0.000 1.034 158 V CA -0.427 61.966 62.300 0.155 0.000 0.863 158 V CB 1.487 33.312 31.823 0.003 0.000 0.999 158 V HN 0.744 nan 8.190 nan 0.000 0.423 159 Y N 4.154 124.570 120.300 0.194 0.000 2.342 159 Y HA 0.335 4.891 4.550 0.010 0.000 0.338 159 Y C 1.479 177.555 175.900 0.292 0.000 0.965 159 Y CA -0.186 58.030 58.100 0.194 0.000 1.159 159 Y CB 2.037 40.614 38.460 0.194 0.000 1.157 159 Y HN 0.766 nan 8.280 nan 0.000 0.486 160 S N 4.007 119.760 115.700 0.089 0.000 2.428 160 S HA 0.185 4.660 4.470 0.009 0.000 0.230 160 S C 1.245 175.621 174.600 -0.374 0.000 1.014 160 S CA 0.598 58.742 58.200 -0.093 0.000 0.957 160 S CB -0.675 62.392 63.200 -0.220 0.000 0.784 160 S HN 1.407 nan 8.310 nan 0.000 0.499 161 G N 1.486 109.765 108.800 -0.868 0.000 2.575 161 G HA2 -0.213 3.752 3.960 0.009 0.000 0.267 161 G HA3 -0.213 3.752 3.960 0.009 0.000 0.267 161 G C -1.184 173.536 174.900 -0.300 0.000 1.264 161 G CA 0.143 44.905 45.100 -0.564 0.000 0.935 161 G HN 0.502 nan 8.290 nan 0.000 0.568 162 D N 0.587 120.779 120.400 -0.348 0.000 2.232 162 D HA 0.558 5.203 4.640 0.009 0.000 0.242 162 D C 0.357 176.300 176.300 -0.594 0.000 1.093 162 D CA -0.442 53.229 54.000 -0.548 0.000 0.845 162 D CB 1.336 41.650 40.800 -0.810 0.000 1.124 162 D HN 0.277 nan 8.370 nan 0.000 0.467 163 L N 1.868 122.807 121.223 -0.473 0.000 2.350 163 L HA 0.459 4.804 4.340 0.009 0.000 0.275 163 L C 1.346 178.062 176.870 -0.258 0.000 1.099 163 L CA -0.344 54.246 54.840 -0.418 0.000 0.808 163 L CB 0.942 42.649 42.059 -0.587 0.000 1.149 163 L HN 0.358 nan 8.230 nan 0.000 0.442 164 G N 1.615 110.330 108.800 -0.143 0.000 2.580 164 G HA2 0.104 4.069 3.960 0.009 0.000 0.278 164 G HA3 0.104 4.069 3.960 0.009 0.000 0.278 164 G C -0.036 174.843 174.900 -0.036 0.000 1.212 164 G CA -0.564 44.518 45.100 -0.029 0.000 0.939 164 G HN 0.758 nan 8.290 nan 0.000 0.513 165 N N -0.551 118.131 118.700 -0.029 0.000 2.645 165 N HA 0.088 4.833 4.740 0.009 0.000 0.233 165 N C 1.785 177.259 175.510 -0.060 0.000 1.058 165 N CA -0.556 52.479 53.050 -0.025 0.000 0.942 165 N CB 0.300 38.719 38.487 -0.113 0.000 1.210 165 N HN 0.579 nan 8.380 nan 0.000 0.512 166 R N 2.240 122.737 120.500 -0.005 0.000 2.371 166 R HA -0.153 4.192 4.340 0.009 0.000 0.226 166 R C 0.527 176.803 176.300 -0.041 0.000 1.132 166 R CA 1.237 57.328 56.100 -0.015 0.000 1.027 166 R CB -0.106 30.212 30.300 0.030 0.000 0.848 166 R HN 0.622 nan 8.270 nan 0.000 0.479 167 E N 0.885 121.042 120.200 -0.072 0.000 2.230 167 E HA 0.008 4.363 4.350 0.009 0.000 0.192 167 E C 0.068 176.450 176.600 -0.364 0.000 0.987 167 E CA 0.338 56.676 56.400 -0.102 0.000 0.841 167 E CB 0.267 29.958 29.700 -0.015 0.000 0.783 167 E HN 0.345 nan 8.360 nan 0.000 0.481 168 K N 0.746 120.795 120.400 -0.584 0.000 2.187 168 K HA 0.001 4.326 4.320 0.009 0.000 0.247 168 K C 0.375 176.721 176.600 -0.423 0.000 1.019 168 K CA 0.087 55.798 56.287 -0.960 0.000 0.893 168 K CB 0.485 32.609 32.500 -0.626 0.000 1.025 168 K HN -0.109 nan 8.250 nan 0.000 0.500 169 D N -0.132 120.111 120.400 -0.263 0.000 2.392 169 D HA -0.027 4.619 4.640 0.009 0.000 0.206 169 D C 1.590 177.821 176.300 -0.114 0.000 1.046 169 D CA 0.451 54.425 54.000 -0.044 0.000 0.865 169 D CB 0.224 41.142 40.800 0.197 0.000 0.969 169 D HN 0.137 nan 8.370 nan 0.000 0.509 170 V N 0.909 120.722 119.914 -0.169 0.000 2.270 170 V HA -0.117 4.009 4.120 0.009 0.000 0.245 170 V C 0.937 177.083 176.094 0.086 0.000 1.043 170 V CA 1.008 63.226 62.300 -0.137 0.000 1.014 170 V CB -0.162 31.660 31.823 -0.001 0.000 0.645 170 V HN 0.093 nan 8.190 nan 0.000 0.447 171 L N 1.028 122.266 121.223 0.025 0.000 2.360 171 L HA 0.483 4.828 4.340 0.009 0.000 0.271 171 L C -2.222 174.633 176.870 -0.026 0.000 1.057 171 L CA -2.691 52.150 54.840 0.002 0.000 0.803 171 L CB 0.541 42.556 42.059 -0.073 0.000 1.207 171 L HN 0.071 nan 8.230 nan 0.000 0.445 172 P HA 0.081 nan 4.420 nan 0.000 0.275 172 P C -0.814 176.451 177.300 -0.057 0.000 1.228 172 P CA -0.577 62.495 63.100 -0.047 0.000 0.786 172 P CB 0.641 32.293 31.700 -0.080 0.000 0.927 173 D N 2.861 123.241 120.400 -0.032 0.000 2.478 173 D HA 0.050 4.696 4.640 0.009 0.000 0.234 173 D C -1.976 174.323 176.300 -0.002 0.000 1.154 173 D CA -0.325 53.668 54.000 -0.011 0.000 0.874 173 D CB -0.705 40.106 40.800 0.017 0.000 1.198 173 D HN 0.235 nan 8.370 nan 0.000 0.455 174 P HA 0.043 nan 4.420 nan 0.000 0.271 174 P C -0.290 177.139 177.300 0.215 0.000 1.216 174 P CA -0.120 63.033 63.100 0.088 0.000 0.771 174 P CB 0.749 32.464 31.700 0.025 0.000 0.864 175 S N 3.351 119.235 115.700 0.306 0.000 2.603 175 S HA 0.274 4.749 4.470 0.009 0.000 0.268 175 S C 0.055 174.965 174.600 0.517 0.000 1.317 175 S CA -0.595 57.810 58.200 0.342 0.000 1.012 175 S CB -0.071 63.303 63.200 0.290 0.000 0.926 175 S HN 0.226 nan 8.310 nan 0.000 0.539 176 L N 4.175 125.546 121.223 0.247 0.000 2.452 176 L HA 0.391 4.736 4.340 0.009 0.000 0.267 176 L C -1.674 175.099 176.870 -0.161 0.000 1.188 176 L CA -1.736 53.083 54.840 -0.034 0.000 0.821 176 L CB 0.437 42.449 42.059 -0.078 0.000 1.102 176 L HN 0.608 nan 8.230 nan 0.000 0.470 177 P HA 0.309 nan 4.420 nan 0.000 0.282 177 P C -2.685 174.404 177.300 -0.352 0.000 1.259 177 P CA -1.675 60.979 63.100 -0.743 0.000 0.826 177 P CB 0.540 31.379 31.700 -1.436 0.000 1.064 178 P HA 0.200 nan 4.420 nan 0.000 0.276 178 P C 0.064 177.291 177.300 -0.123 0.000 1.252 178 P CA -0.526 62.536 63.100 -0.063 0.000 0.802 178 P CB 0.797 32.531 31.700 0.056 0.000 1.035 179 L N 0.742 121.913 121.223 -0.086 0.000 2.540 179 L HA 0.288 4.633 4.340 0.009 0.000 0.276 179 L C -0.033 176.799 176.870 -0.064 0.000 1.212 179 L CA 0.184 54.971 54.840 -0.089 0.000 0.893 179 L CB -0.087 41.937 42.059 -0.057 0.000 1.138 179 L HN 0.554 nan 8.230 nan 0.000 0.491 180 A N 4.110 126.884 122.820 -0.076 0.000 2.527 180 A HA 0.363 4.688 4.320 0.009 0.000 0.293 180 A C 0.180 177.743 177.584 -0.036 0.000 1.117 180 A CA -0.661 51.350 52.037 -0.043 0.000 0.723 180 A CB 1.172 20.145 19.000 -0.045 0.000 1.313 180 A HN 0.799 nan 8.150 nan 0.000 0.411 181 D N -0.673 119.716 120.400 -0.018 0.000 2.277 181 D HA 0.089 4.734 4.640 0.009 0.000 0.208 181 D C -0.322 175.967 176.300 -0.017 0.000 0.962 181 D CA 1.317 55.307 54.000 -0.017 0.000 0.865 181 D CB 0.367 41.161 40.800 -0.010 0.000 0.939 181 D HN 0.243 nan 8.370 nan 0.000 0.510 182 L N 0.441 121.656 121.223 -0.013 0.000 2.526 182 L HA 0.284 4.629 4.340 0.009 0.000 0.263 182 L C -1.659 175.212 176.870 0.001 0.000 0.943 182 L CA -0.692 54.142 54.840 -0.010 0.000 0.859 182 L CB 2.444 44.498 42.059 -0.009 0.000 1.313 182 L HN -0.364 nan 8.230 nan 0.000 0.406 183 V N 5.178 125.095 119.914 0.005 0.000 2.444 183 V HA 0.490 4.616 4.120 0.009 0.000 0.294 183 V C -0.647 175.489 176.094 0.071 0.000 1.022 183 V CA -0.572 61.751 62.300 0.039 0.000 0.850 183 V CB 1.610 33.440 31.823 0.011 0.000 0.992 183 V HN 0.652 nan 8.190 nan 0.000 0.426 184 L N 5.425 126.718 121.223 0.116 0.000 2.255 184 L HA 0.854 5.199 4.340 0.009 0.000 0.289 184 L C 0.185 177.182 176.870 0.212 0.000 1.046 184 L CA 0.126 55.023 54.840 0.096 0.000 0.816 184 L CB 0.638 42.709 42.059 0.019 0.000 1.197 184 L HN 0.790 nan 8.230 nan 0.000 0.427 185 A N 4.180 127.092 122.820 0.154 0.000 2.435 185 A HA 0.693 5.018 4.320 0.009 0.000 0.304 185 A C -0.623 177.022 177.584 0.101 0.000 1.064 185 A CA -0.681 51.446 52.037 0.151 0.000 0.727 185 A CB 1.008 20.116 19.000 0.181 0.000 1.284 185 A HN 0.782 nan 8.150 nan 0.000 0.415 186 E N 0.505 120.725 120.200 0.034 0.000 2.369 186 E HA 0.545 4.900 4.350 0.009 0.000 0.255 186 E C 0.485 177.083 176.600 -0.005 0.000 1.172 186 E CA -0.020 56.386 56.400 0.010 0.000 0.932 186 E CB 0.769 30.344 29.700 -0.208 0.000 1.040 186 E HN 0.812 nan 8.360 nan 0.000 0.454 187 G N 0.611 109.421 108.800 0.017 0.000 5.253 187 G HA2 0.025 3.990 3.960 0.009 0.000 0.238 187 G HA3 0.025 3.990 3.960 0.009 0.000 0.238 187 G C 0.536 175.426 174.900 -0.017 0.000 0.867 187 G CA 0.099 45.206 45.100 0.010 0.000 0.717 187 G HN 0.488 nan 8.290 nan 0.000 0.405 188 T N 0.411 114.929 114.554 -0.060 0.000 2.653 188 T HA -0.262 4.093 4.350 0.009 0.000 0.267 188 T C 0.938 175.423 174.700 -0.357 0.000 1.037 188 T CA 1.558 63.528 62.100 -0.217 0.000 1.159 188 T CB -0.251 68.358 68.868 -0.432 0.000 0.859 188 T HN 0.378 nan 8.240 nan 0.000 0.449 189 Y N 0.632 120.879 120.300 -0.088 0.000 2.631 189 Y HA 0.535 5.090 4.550 0.009 0.000 0.361 189 Y C 1.591 177.484 175.900 -0.011 0.000 0.941 189 Y CA -1.052 57.030 58.100 -0.030 0.000 1.327 189 Y CB 0.109 38.582 38.460 0.021 0.000 1.299 189 Y HN 0.171 nan 8.280 nan 0.000 0.578 190 G N -0.044 108.795 108.800 0.065 0.000 2.534 190 G HA2 -0.216 3.749 3.960 0.009 0.000 0.217 190 G HA3 -0.216 3.749 3.960 0.009 0.000 0.217 190 G C 1.248 176.181 174.900 0.055 0.000 1.128 190 G CA 0.993 46.126 45.100 0.055 0.000 0.784 190 G HN 0.511 nan 8.290 nan 0.000 0.542 191 D N -0.028 120.407 120.400 0.059 0.000 2.348 191 D HA 0.016 4.661 4.640 0.009 0.000 0.211 191 D C 1.112 177.456 176.300 0.072 0.000 0.998 191 D CA -0.002 54.032 54.000 0.057 0.000 0.873 191 D CB 0.073 40.902 40.800 0.048 0.000 0.925 191 D HN 0.566 nan 8.370 nan 0.000 0.524 192 R N -1.300 119.260 120.500 0.100 0.000 2.687 192 R HA 0.420 4.765 4.340 0.009 0.000 0.265 192 R C -3.420 172.918 176.300 0.063 0.000 1.048 192 R CA -1.413 54.738 56.100 0.085 0.000 0.884 192 R CB 0.733 31.098 30.300 0.108 0.000 1.258 192 R HN -0.230 nan 8.270 nan 0.000 0.469 193 P HA 0.158 nan 4.420 nan 0.000 0.276 193 P C -1.071 176.178 177.300 -0.085 0.000 1.244 193 P CA -0.206 62.821 63.100 -0.121 0.000 0.801 193 P CB 0.636 32.266 31.700 -0.117 0.000 1.006 194 H N -0.176 118.895 119.070 0.001 0.000 2.508 194 H HA 0.421 4.982 4.556 0.009 0.000 0.358 194 H C 0.487 175.822 175.328 0.011 0.000 1.212 194 H CA -0.968 55.071 56.048 -0.015 0.000 1.356 194 H CB 0.122 29.834 29.762 -0.083 0.000 1.525 194 H HN 0.221 nan 8.280 nan 0.000 0.578 195 R N 0.599 121.251 120.500 0.253 0.000 2.643 195 R HA 0.219 4.564 4.340 0.009 0.000 0.270 195 R C -2.618 173.794 176.300 0.188 0.000 1.061 195 R CA -1.814 54.382 56.100 0.160 0.000 1.107 195 R CB -0.954 29.390 30.300 0.074 0.000 0.999 195 R HN 0.522 nan 8.270 nan 0.000 0.460 196 P HA -0.041 nan 4.420 nan 0.000 0.266 196 P C 0.157 177.484 177.300 0.045 0.000 1.195 196 P CA 0.078 63.251 63.100 0.122 0.000 0.768 196 P CB 0.224 31.974 31.700 0.083 0.000 0.838 197 Y N 4.055 124.308 120.300 -0.077 0.000 2.109 197 Y HA -0.242 4.314 4.550 0.009 0.000 0.285 197 Y C 2.305 178.140 175.900 -0.110 0.000 1.131 197 Y CA 1.420 59.435 58.100 -0.141 0.000 1.121 197 Y CB -0.028 38.375 38.460 -0.095 0.000 0.987 197 Y HN 0.213 nan 8.280 nan 0.000 0.495 198 R N 0.287 120.747 120.500 -0.066 0.000 2.113 198 R HA -0.273 4.072 4.340 0.009 0.000 0.244 198 R C 2.249 178.441 176.300 -0.181 0.000 1.142 198 R CA 2.120 58.144 56.100 -0.127 0.000 0.953 198 R CB -0.697 29.611 30.300 0.014 0.000 0.860 198 R HN 0.625 nan 8.270 nan 0.000 0.438 199 E N 0.137 120.264 120.200 -0.122 0.000 2.204 199 E HA -0.122 4.233 4.350 0.009 0.000 0.194 199 E C 1.308 177.812 176.600 -0.161 0.000 0.989 199 E CA 1.468 57.805 56.400 -0.104 0.000 0.824 199 E CB -0.007 29.665 29.700 -0.048 0.000 0.756 199 E HN 0.107 nan 8.360 nan 0.000 0.477 200 T N 0.186 114.572 114.554 -0.280 0.000 2.942 200 T HA -0.032 4.323 4.350 0.009 0.000 0.265 200 T C 1.819 176.277 174.700 -0.403 0.000 1.062 200 T CA 0.989 62.868 62.100 -0.369 0.000 1.139 200 T CB 0.057 68.585 68.868 -0.566 0.000 0.883 200 T HN 0.052 nan 8.240 nan 0.000 0.468 201 V N 1.612 121.227 119.914 -0.499 0.000 2.307 201 V HA -0.155 3.971 4.120 0.009 0.000 0.245 201 V C 2.600 178.612 176.094 -0.136 0.000 1.045 201 V CA 1.591 63.711 62.300 -0.300 0.000 1.024 201 V CB -0.512 31.076 31.823 -0.392 0.000 0.651 201 V HN 0.375 nan 8.190 nan 0.000 0.449 202 R N -0.092 120.311 120.500 -0.162 0.000 2.080 202 R HA -0.239 4.106 4.340 0.009 0.000 0.236 202 R C 2.417 178.673 176.300 -0.073 0.000 1.137 202 R CA 2.015 58.044 56.100 -0.118 0.000 0.943 202 R CB -0.443 29.806 30.300 -0.083 0.000 0.846 202 R HN 0.638 nan 8.270 nan 0.000 0.431 203 E N 0.387 120.560 120.200 -0.044 0.000 2.058 203 E HA -0.241 4.114 4.350 0.009 0.000 0.194 203 E C 1.775 178.408 176.600 0.054 0.000 0.997 203 E CA 1.297 57.699 56.400 0.003 0.000 0.801 203 E CB -0.181 29.529 29.700 0.016 0.000 0.746 203 E HN 0.344 nan 8.360 nan 0.000 0.450 204 F N 1.002 120.892 119.950 -0.100 0.000 2.069 204 F HA -0.251 4.281 4.527 0.009 0.000 0.298 204 F C 2.023 177.764 175.800 -0.098 0.000 1.113 204 F CA 1.242 59.210 58.000 -0.052 0.000 1.214 204 F CB -0.023 39.011 39.000 0.057 0.000 0.978 204 F HN 0.022 nan 8.300 nan 0.000 0.474 205 L N 0.334 121.428 121.223 -0.216 0.000 2.083 205 L HA -0.237 4.108 4.340 0.009 0.000 0.209 205 L C 2.466 179.184 176.870 -0.253 0.000 1.083 205 L CA 1.838 56.466 54.840 -0.353 0.000 0.752 205 L CB -0.958 40.915 42.059 -0.311 0.000 0.899 205 L HN 0.333 nan 8.230 nan 0.000 0.433 206 E N 1.199 121.304 120.200 -0.157 0.000 2.051 206 E HA -0.239 4.116 4.350 0.009 0.000 0.192 206 E C 2.287 178.806 176.600 -0.135 0.000 0.991 206 E CA 1.419 57.750 56.400 -0.115 0.000 0.799 206 E CB -0.104 29.559 29.700 -0.061 0.000 0.748 206 E HN 0.499 nan 8.360 nan 0.000 0.449 207 I N 0.840 121.314 120.570 -0.160 0.000 2.286 207 I HA -0.279 3.897 4.170 0.009 0.000 0.248 207 I C 2.470 178.450 176.117 -0.229 0.000 1.115 207 I CA 0.783 61.952 61.300 -0.219 0.000 1.392 207 I CB -0.202 37.612 38.000 -0.310 0.000 1.065 207 I HN 0.209 nan 8.210 nan 0.000 0.418 208 L N 0.340 121.378 121.223 -0.308 0.000 1.976 208 L HA -0.211 4.134 4.340 0.009 0.000 0.209 208 L C 2.598 179.343 176.870 -0.209 0.000 1.071 208 L CA 1.597 56.251 54.840 -0.309 0.000 0.746 208 L CB -0.631 41.144 42.059 -0.475 0.000 0.890 208 L HN 0.200 nan 8.230 nan 0.000 0.432 209 E N 0.012 120.094 120.200 -0.197 0.000 2.097 209 E HA -0.311 4.045 4.350 0.009 0.000 0.196 209 E C 2.117 178.654 176.600 -0.104 0.000 1.000 209 E CA 1.527 57.842 56.400 -0.141 0.000 0.804 209 E CB -0.121 29.501 29.700 -0.129 0.000 0.740 209 E HN 0.349 nan 8.360 nan 0.000 0.454 210 K N 0.489 120.831 120.400 -0.097 0.000 1.985 210 K HA -0.171 4.154 4.320 0.009 0.000 0.210 210 K C 2.445 179.011 176.600 -0.057 0.000 1.047 210 K CA 1.954 58.203 56.287 -0.064 0.000 0.932 210 K CB -0.296 32.176 32.500 -0.047 0.000 0.716 210 K HN 0.104 nan 8.250 nan 0.000 0.439 211 T N 0.140 114.653 114.554 -0.069 0.000 2.867 211 T HA -0.046 4.309 4.350 0.009 0.000 0.268 211 T C 1.914 176.583 174.700 -0.052 0.000 1.057 211 T CA 0.946 63.016 62.100 -0.051 0.000 1.136 211 T CB -0.114 68.724 68.868 -0.050 0.000 0.874 211 T HN 0.246 nan 8.240 nan 0.000 0.466 212 L N 0.549 121.728 121.223 -0.073 0.000 2.156 212 L HA 0.056 4.401 4.340 0.009 0.000 0.208 212 L C 3.075 179.913 176.870 -0.053 0.000 1.095 212 L CA 0.940 55.740 54.840 -0.067 0.000 0.770 212 L CB -0.526 41.478 42.059 -0.091 0.000 0.914 212 L HN 0.278 nan 8.230 nan 0.000 0.439 213 S N -0.102 115.564 115.700 -0.056 0.000 2.423 213 S HA -0.180 4.296 4.470 0.009 0.000 0.231 213 S C 1.610 176.192 174.600 -0.031 0.000 1.014 213 S CA 1.086 59.260 58.200 -0.044 0.000 0.965 213 S CB -0.128 63.044 63.200 -0.045 0.000 0.785 213 S HN 0.579 nan 8.310 nan 0.000 0.495 214 Q N -0.001 119.783 119.800 -0.027 0.000 2.246 214 Q HA 0.402 4.747 4.340 0.009 0.000 0.202 214 Q C 0.892 176.885 176.000 -0.012 0.000 0.883 214 Q CA 0.401 56.194 55.803 -0.016 0.000 0.952 214 Q CB 0.048 28.779 28.738 -0.011 0.000 1.078 214 Q HN 0.321 nan 8.270 nan 0.000 0.493 215 G N 0.139 108.930 108.800 -0.016 0.000 2.160 215 G HA2 -0.262 3.704 3.960 0.009 0.000 0.251 215 G HA3 -0.262 3.704 3.960 0.009 0.000 0.251 215 G C 0.299 175.197 174.900 -0.003 0.000 1.008 215 G CA -0.077 45.018 45.100 -0.009 0.000 0.724 215 G HN 0.708 nan 8.290 nan 0.000 0.514 216 G N -0.908 107.887 108.800 -0.008 0.000 2.531 216 G HA2 0.638 4.604 3.960 0.009 0.000 0.313 216 G HA3 0.638 4.604 3.960 0.009 0.000 0.313 216 G C -0.122 174.774 174.900 -0.005 0.000 1.238 216 G CA -0.772 44.327 45.100 -0.002 0.000 0.994 216 G HN 0.390 nan 8.290 nan 0.000 0.493 217 K N -0.536 119.864 120.400 0.000 0.000 2.164 217 K HA 0.491 4.816 4.320 0.009 0.000 0.258 217 K C -1.119 175.470 176.600 -0.018 0.000 0.951 217 K CA -0.650 55.634 56.287 -0.004 0.000 0.844 217 K CB 2.611 35.114 32.500 0.005 0.000 1.099 217 K HN 0.128 nan 8.250 nan 0.000 0.435 218 V N 5.026 124.922 119.914 -0.030 0.000 2.294 218 V HA 0.221 4.346 4.120 0.009 0.000 0.272 218 V C -0.317 175.752 176.094 -0.043 0.000 1.027 218 V CA -0.739 61.539 62.300 -0.037 0.000 0.823 218 V CB 0.356 32.150 31.823 -0.049 0.000 1.030 218 V HN 0.566 nan 8.190 nan 0.000 0.457 219 L N 6.345 127.533 121.223 -0.059 0.000 2.290 219 L HA 0.588 4.933 4.340 0.009 0.000 0.284 219 L C -0.385 176.417 176.870 -0.112 0.000 1.078 219 L CA -0.152 54.632 54.840 -0.095 0.000 0.815 219 L CB 0.954 42.963 42.059 -0.082 0.000 1.162 219 L HN 0.452 nan 8.230 nan 0.000 0.435 220 I N 4.438 124.942 120.570 -0.109 0.000 2.476 220 I HA 0.318 4.493 4.170 0.009 0.000 0.281 220 I C -2.452 173.587 176.117 -0.131 0.000 1.040 220 I CA -1.966 59.261 61.300 -0.123 0.000 1.094 220 I CB 1.972 39.928 38.000 -0.074 0.000 1.219 220 I HN 0.287 nan 8.210 nan 0.000 0.450 221 P HA 0.167 nan 4.420 nan 0.000 0.276 221 P C -0.682 176.504 177.300 -0.191 0.000 1.243 221 P CA 0.090 63.118 63.100 -0.120 0.000 0.768 221 P CB 0.786 32.448 31.700 -0.064 0.000 0.856 222 T N 0.299 114.737 114.554 -0.194 0.000 2.916 222 T HA 0.568 4.923 4.350 0.009 0.000 0.305 222 T C -0.448 174.132 174.700 -0.200 0.000 1.119 222 T CA -0.786 61.152 62.100 -0.269 0.000 1.008 222 T CB 0.614 69.399 68.868 -0.139 0.000 1.129 222 T HN -0.008 nan 8.240 nan 0.000 0.480 223 F N 0.967 120.959 119.950 0.069 0.000 2.418 223 F HA 0.507 5.040 4.527 0.009 0.000 0.341 223 F C 1.774 177.610 175.800 0.059 0.000 1.120 223 F CA -0.865 57.180 58.000 0.076 0.000 1.232 223 F CB 0.756 39.810 39.000 0.090 0.000 1.175 223 F HN 0.840 nan 8.300 nan 0.000 0.569 224 A N 2.006 124.975 122.820 0.249 0.000 2.169 224 A HA 0.071 4.396 4.320 0.009 0.000 0.212 224 A C 1.783 179.439 177.584 0.121 0.000 1.153 224 A CA 0.567 52.686 52.037 0.138 0.000 0.756 224 A CB -0.508 18.557 19.000 0.109 0.000 0.813 224 A HN 0.620 nan 8.150 nan 0.000 0.471 225 V N -0.780 119.247 119.914 0.187 0.000 2.488 225 V HA -0.052 4.073 4.120 0.009 0.000 0.246 225 V C 2.124 178.299 176.094 0.134 0.000 1.046 225 V CA 2.053 64.450 62.300 0.161 0.000 1.053 225 V CB 0.036 31.999 31.823 0.234 0.000 0.679 225 V HN 0.707 nan 8.190 nan 0.000 0.458 226 E N -1.146 119.151 120.200 0.161 0.000 2.626 226 E HA 0.011 4.366 4.350 0.009 0.000 0.194 226 E C 1.989 178.661 176.600 0.121 0.000 0.950 226 E CA -0.057 56.424 56.400 0.135 0.000 1.583 226 E CB 0.325 30.072 29.700 0.078 0.000 1.881 226 E HN 0.257 nan 8.360 nan 0.000 0.979 227 R N 1.566 122.156 120.500 0.150 0.000 2.092 227 R HA 0.115 4.461 4.340 0.009 0.000 0.231 227 R C 1.992 178.296 176.300 0.007 0.000 1.119 227 R CA 1.983 58.140 56.100 0.095 0.000 0.970 227 R CB -0.688 29.709 30.300 0.162 0.000 0.864 227 R HN 0.152 nan 8.270 nan 0.000 0.440 228 A N 0.876 123.705 122.820 0.016 0.000 1.858 228 A HA -0.198 4.127 4.320 0.009 0.000 0.216 228 A C 1.847 179.424 177.584 -0.012 0.000 1.190 228 A CA 1.690 53.712 52.037 -0.024 0.000 0.617 228 A CB -0.595 18.394 19.000 -0.018 0.000 0.827 228 A HN 0.495 nan 8.150 nan 0.000 0.443 229 Q N 0.099 119.878 119.800 -0.036 0.000 2.291 229 Q HA -0.179 4.167 4.340 0.009 0.000 0.205 229 Q C 1.600 177.761 176.000 0.268 0.000 0.970 229 Q CA 1.598 57.398 55.803 -0.005 0.000 0.876 229 Q CB -0.662 27.795 28.738 -0.469 0.000 0.935 229 Q HN 0.899 nan 8.270 nan 0.000 0.455 230 E N 0.600 120.920 120.200 0.200 0.000 2.107 230 E HA -0.114 4.242 4.350 0.009 0.000 0.191 230 E C 1.790 178.500 176.600 0.183 0.000 0.982 230 E CA 0.474 57.026 56.400 0.253 0.000 0.809 230 E CB 0.169 29.960 29.700 0.151 0.000 0.756 230 E HN 0.185 nan 8.360 nan 0.000 0.459 231 I N 1.390 121.958 120.570 -0.003 0.000 2.226 231 I HA -0.265 3.910 4.170 0.009 0.000 0.245 231 I C 2.446 178.637 176.117 0.122 0.000 1.100 231 I CA 1.136 62.393 61.300 -0.073 0.000 1.374 231 I CB -1.129 36.761 38.000 -0.183 0.000 1.057 231 I HN 0.294 nan 8.210 nan 0.000 0.413 232 L N -0.630 120.675 121.223 0.135 0.000 2.083 232 L HA -0.272 4.073 4.340 0.009 0.000 0.209 232 L C 2.718 179.690 176.870 0.170 0.000 1.083 232 L CA 1.442 56.370 54.840 0.146 0.000 0.752 232 L CB -0.895 41.247 42.059 0.139 0.000 0.899 232 L HN 0.191 nan 8.230 nan 0.000 0.433 233 Y N 0.179 120.527 120.300 0.081 0.000 2.224 233 Y HA -0.200 4.355 4.550 0.009 0.000 0.289 233 Y C 2.347 178.282 175.900 0.058 0.000 1.146 233 Y CA 1.444 59.488 58.100 -0.093 0.000 1.182 233 Y CB -0.107 38.234 38.460 -0.198 0.000 0.983 233 Y HN -0.158 nan 8.280 nan 0.000 0.524 234 V N 0.328 120.380 119.914 0.229 0.000 2.548 234 V HA -0.279 3.846 4.120 0.009 0.000 0.249 234 V C 2.333 178.569 176.094 0.237 0.000 1.055 234 V CA 1.691 64.173 62.300 0.303 0.000 1.065 234 V CB -0.561 31.546 31.823 0.472 0.000 0.681 234 V HN 0.441 nan 8.190 nan 0.000 0.462 235 L N -1.368 119.957 121.223 0.170 0.000 2.217 235 L HA -0.162 4.184 4.340 0.009 0.000 0.211 235 L C 2.373 179.250 176.870 0.012 0.000 1.107 235 L CA 1.671 56.558 54.840 0.078 0.000 0.783 235 L CB -0.488 41.609 42.059 0.064 0.000 0.919 235 L HN 0.443 nan 8.230 nan 0.000 0.442 236 Y N 0.970 121.170 120.300 -0.167 0.000 2.243 236 Y HA -0.218 4.337 4.550 0.009 0.000 0.293 236 Y C 2.779 178.501 175.900 -0.296 0.000 1.124 236 Y CA 1.804 59.754 58.100 -0.250 0.000 1.159 236 Y CB -0.062 38.183 38.460 -0.359 0.000 1.008 236 Y HN 0.189 nan 8.280 nan 0.000 0.527 237 T N -3.117 111.310 114.554 -0.213 0.000 3.113 237 T HA -0.040 4.315 4.350 0.009 0.000 0.256 237 T C 0.911 175.348 174.700 -0.438 0.000 1.131 237 T CA 1.090 62.982 62.100 -0.347 0.000 1.074 237 T CB -0.327 68.251 68.868 -0.483 0.000 0.944 237 T HN 0.505 nan 8.240 nan 0.000 0.516 238 H N -0.545 118.445 119.070 -0.134 0.000 3.058 238 H HA 0.380 4.941 4.556 0.009 0.000 0.266 238 H C 2.178 177.310 175.328 -0.326 0.000 1.135 238 H CA 0.125 56.055 56.048 -0.196 0.000 1.174 238 H CB 0.399 30.062 29.762 -0.165 0.000 1.581 238 H HN 0.496 nan 8.280 nan 0.000 0.553 239 G N 1.191 109.882 108.800 -0.181 0.000 2.501 239 G HA2 -0.300 3.665 3.960 0.009 0.000 0.220 239 G HA3 -0.300 3.665 3.960 0.009 0.000 0.220 239 G C 1.468 176.255 174.900 -0.189 0.000 1.114 239 G CA 1.200 46.181 45.100 -0.198 0.000 0.757 239 G HN 0.577 nan 8.290 nan 0.000 0.559 240 H N 0.870 119.850 119.070 -0.150 0.000 2.423 240 H HA -0.002 4.559 4.556 0.009 0.000 0.297 240 H C 2.210 177.488 175.328 -0.084 0.000 1.075 240 H CA 1.321 57.296 56.048 -0.122 0.000 1.342 240 H CB -0.196 29.493 29.762 -0.122 0.000 1.395 240 H HN 0.474 nan 8.280 nan 0.000 0.530 241 R N 0.607 120.704 120.500 -0.671 0.000 2.468 241 R HA 0.349 4.694 4.340 0.009 0.000 0.280 241 R C -0.595 175.558 176.300 -0.246 0.000 0.963 241 R CA -0.172 55.703 56.100 -0.374 0.000 1.083 241 R CB 0.040 30.080 30.300 -0.434 0.000 1.200 241 R HN 0.230 nan 8.270 nan 0.000 0.541 242 L N 2.454 123.539 121.223 -0.229 0.000 2.322 242 L HA 0.547 4.893 4.340 0.009 0.000 0.279 242 L C -1.882 174.904 176.870 -0.139 0.000 1.036 242 L CA -2.725 52.005 54.840 -0.184 0.000 0.807 242 L CB 1.421 43.362 42.059 -0.197 0.000 1.226 242 L HN 0.051 nan 8.230 nan 0.000 0.433 243 P HA 0.068 nan 4.420 nan 0.000 0.267 243 P C -0.752 176.492 177.300 -0.093 0.000 1.200 243 P CA -0.248 62.795 63.100 -0.094 0.000 0.772 243 P CB 0.517 32.167 31.700 -0.083 0.000 0.855 244 R N 1.076 121.529 120.500 -0.078 0.000 2.570 244 R HA 0.475 4.820 4.340 0.009 0.000 0.277 244 R C 0.096 176.350 176.300 -0.076 0.000 1.039 244 R CA 0.338 56.392 56.100 -0.077 0.000 1.065 244 R CB 0.145 30.407 30.300 -0.063 0.000 0.964 244 R HN 0.675 nan 8.270 nan 0.000 0.428 245 A N 4.068 126.834 122.820 -0.090 0.000 2.583 245 A HA 0.357 4.682 4.320 0.009 0.000 0.298 245 A C -2.691 174.812 177.584 -0.135 0.000 1.055 245 A CA -1.352 50.631 52.037 -0.090 0.000 0.714 245 A CB 1.326 20.278 19.000 -0.081 0.000 1.277 245 A HN 0.529 nan 8.150 nan 0.000 0.406 246 P HA 0.470 nan 4.420 nan 0.000 0.275 246 P C -0.796 176.245 177.300 -0.432 0.000 1.227 246 P CA 0.152 63.036 63.100 -0.359 0.000 0.781 246 P CB 0.677 32.091 31.700 -0.477 0.000 0.906 247 I N 3.743 124.056 120.570 -0.429 0.000 2.328 247 I HA 0.225 4.400 4.170 0.009 0.000 0.287 247 I C -0.292 175.625 176.117 -0.332 0.000 1.012 247 I CA -0.834 60.299 61.300 -0.278 0.000 1.195 247 I CB 0.459 38.374 38.000 -0.142 0.000 1.350 247 I HN 0.272 nan 8.210 nan 0.000 0.464 248 Y N 6.391 126.665 120.300 -0.043 0.000 2.353 248 Y HA 0.320 4.875 4.550 0.009 0.000 0.340 248 Y C 0.027 175.902 175.900 -0.042 0.000 0.972 248 Y CA -0.848 57.228 58.100 -0.040 0.000 1.157 248 Y CB 1.232 39.665 38.460 -0.045 0.000 1.157 248 Y HN 0.417 nan 8.280 nan 0.000 0.495 249 L N 4.694 125.979 121.223 0.104 0.000 2.358 249 L HA 0.255 4.600 4.340 0.009 0.000 0.274 249 L C 0.038 176.951 176.870 0.073 0.000 1.136 249 L CA -0.107 54.766 54.840 0.055 0.000 0.970 249 L CB -0.329 41.742 42.059 0.019 0.000 1.314 249 L HN 0.523 nan 8.230 nan 0.000 0.427 250 D N 2.204 122.655 120.400 0.084 0.000 2.767 250 D HA 0.121 4.766 4.640 0.009 0.000 0.231 250 D C -0.554 175.791 176.300 0.074 0.000 1.105 250 D CA 0.416 54.472 54.000 0.093 0.000 1.024 250 D CB -0.061 40.833 40.800 0.157 0.000 1.123 250 D HN 0.382 nan 8.370 nan 0.000 0.470 251 S N 1.492 117.218 115.700 0.044 0.000 2.536 251 S HA 0.341 4.817 4.470 0.009 0.000 0.246 251 S C -2.215 172.394 174.600 0.015 0.000 1.077 251 S CA -1.057 57.165 58.200 0.037 0.000 1.091 251 S CB 1.448 64.674 63.200 0.043 0.000 1.148 251 S HN -0.093 nan 8.310 nan 0.000 0.447 252 P HA -0.170 nan 4.420 nan 0.000 0.214 252 P C 1.705 179.006 177.300 0.002 0.000 1.163 252 P CA 1.287 64.380 63.100 -0.012 0.000 0.889 252 P CB 0.012 31.705 31.700 -0.013 0.000 0.790 253 M N -0.608 119.004 119.600 0.020 0.000 2.082 253 M HA -0.209 4.276 4.480 0.009 0.000 0.258 253 M C 1.969 178.276 176.300 0.012 0.000 1.069 253 M CA 2.452 57.768 55.300 0.026 0.000 1.102 253 M CB -0.703 31.927 32.600 0.049 0.000 1.336 253 M HN -0.128 nan 8.290 nan 0.000 0.404 254 A N -0.019 122.808 122.820 0.011 0.000 1.986 254 A HA -0.084 4.241 4.320 0.009 0.000 0.220 254 A C 2.251 179.801 177.584 -0.055 0.000 1.171 254 A CA 1.927 53.953 52.037 -0.019 0.000 0.640 254 A CB -1.751 17.244 19.000 -0.009 0.000 0.811 254 A HN 0.695 nan 8.150 nan 0.000 0.451 255 G N -0.521 108.260 108.800 -0.033 0.000 2.434 255 G HA2 -0.217 3.748 3.960 0.009 0.000 0.214 255 G HA3 -0.217 3.748 3.960 0.009 0.000 0.214 255 G C 1.733 176.611 174.900 -0.037 0.000 1.202 255 G CA 0.835 45.912 45.100 -0.038 0.000 0.788 255 G HN 0.572 nan 8.290 nan 0.000 0.539 256 R N -0.157 120.333 120.500 -0.017 0.000 2.103 256 R HA -0.081 4.265 4.340 0.009 0.000 0.242 256 R C 2.653 178.948 176.300 -0.008 0.000 1.142 256 R CA 1.367 57.464 56.100 -0.004 0.000 0.960 256 R CB -0.748 29.558 30.300 0.009 0.000 0.858 256 R HN 0.300 nan 8.270 nan 0.000 0.439 257 V N 1.502 121.402 119.914 -0.024 0.000 2.295 257 V HA -0.244 3.881 4.120 0.009 0.000 0.246 257 V C 2.255 178.277 176.094 -0.120 0.000 1.049 257 V CA 1.688 63.971 62.300 -0.027 0.000 1.024 257 V CB -0.548 31.252 31.823 -0.037 0.000 0.648 257 V HN 0.245 nan 8.190 nan 0.000 0.447 258 L N 0.536 121.614 121.223 -0.243 0.000 2.012 258 L HA -0.166 4.179 4.340 0.009 0.000 0.210 258 L C 2.497 179.309 176.870 -0.098 0.000 1.073 258 L CA 2.324 56.952 54.840 -0.354 0.000 0.748 258 L CB -0.847 41.062 42.059 -0.249 0.000 0.891 258 L HN 0.315 nan 8.230 nan 0.000 0.431 259 S N -0.511 115.176 115.700 -0.022 0.000 2.419 259 S HA -0.174 4.301 4.470 0.009 0.000 0.235 259 S C 1.779 176.430 174.600 0.085 0.000 1.019 259 S CA 1.475 59.698 58.200 0.039 0.000 0.982 259 S CB -0.522 62.695 63.200 0.029 0.000 0.789 259 S HN 0.445 nan 8.310 nan 0.000 0.490 260 L N 0.326 121.611 121.223 0.103 0.000 2.240 260 L HA 0.157 4.503 4.340 0.009 0.000 0.211 260 L C 1.683 178.693 176.870 0.234 0.000 1.106 260 L CA 1.200 56.125 54.840 0.142 0.000 0.793 260 L CB -0.602 41.531 42.059 0.124 0.000 0.927 260 L HN 0.310 nan 8.230 nan 0.000 0.446 261 Y N 0.414 120.726 120.300 0.020 0.000 2.114 261 Y HA -0.270 4.285 4.550 0.009 0.000 0.282 261 Y C -0.154 175.809 175.900 0.105 0.000 1.165 261 Y CA 1.408 59.554 58.100 0.077 0.000 1.148 261 Y CB -1.565 36.822 38.460 -0.122 0.000 0.972 261 Y HN 0.266 nan 8.280 nan 0.000 0.504 262 P HA -0.195 nan 4.420 nan 0.000 0.217 262 P C 0.892 178.136 177.300 -0.094 0.000 1.148 262 P CA 1.789 64.910 63.100 0.034 0.000 0.828 262 P CB -0.074 31.731 31.700 0.175 0.000 0.783 263 R N -1.430 119.075 120.500 0.009 0.000 2.236 263 R HA 0.046 4.392 4.340 0.009 0.000 0.208 263 R C 0.649 176.951 176.300 0.003 0.000 1.036 263 R CA 0.671 56.770 56.100 -0.002 0.000 1.001 263 R CB -0.331 29.986 30.300 0.028 0.000 0.896 263 R HN 0.200 nan 8.270 nan 0.000 0.464 264 L N 0.197 121.436 121.223 0.027 0.000 2.818 264 L HA 0.064 4.409 4.340 0.009 0.000 0.243 264 L C 1.701 178.611 176.870 0.067 0.000 1.185 264 L CA 0.290 55.181 54.840 0.086 0.000 0.988 264 L CB -0.137 41.880 42.059 -0.070 0.000 1.292 264 L HN -0.094 nan 8.230 nan 0.000 0.519 265 V N 1.828 121.703 119.914 -0.066 0.000 2.313 265 V HA -0.355 3.770 4.120 0.009 0.000 0.253 265 V C 2.705 178.823 176.094 0.041 0.000 1.070 265 V CA 2.621 64.848 62.300 -0.122 0.000 1.057 265 V CB -0.193 31.312 31.823 -0.531 0.000 0.653 265 V HN 0.755 nan 8.190 nan 0.000 0.450 266 R N -1.783 118.626 120.500 -0.153 0.000 2.285 266 R HA -0.116 4.229 4.340 0.009 0.000 0.213 266 R C 1.724 177.804 176.300 -0.366 0.000 1.068 266 R CA 1.845 57.790 56.100 -0.259 0.000 1.004 266 R CB -0.671 29.398 30.300 -0.386 0.000 0.873 266 R HN 0.593 nan 8.270 nan 0.000 0.467 267 Y N -0.050 120.088 120.300 -0.269 0.000 2.466 267 Y HA 0.262 4.817 4.550 0.009 0.000 0.272 267 Y C 0.158 175.706 175.900 -0.587 0.000 1.169 267 Y CA -0.433 57.404 58.100 -0.439 0.000 1.285 267 Y CB 0.110 38.213 38.460 -0.596 0.000 1.078 267 Y HN -0.106 nan 8.280 nan 0.000 0.523 268 F N -0.889 119.071 119.950 0.016 0.000 2.377 268 F HA 0.374 4.906 4.527 0.009 0.000 0.335 268 F C 1.094 176.892 175.800 -0.004 0.000 1.099 268 F CA -1.427 56.580 58.000 0.012 0.000 1.072 268 F CB 0.150 39.207 39.000 0.095 0.000 1.417 268 F HN -0.287 nan 8.300 nan 0.000 0.495 269 S N -0.135 115.697 115.700 0.221 0.000 2.608 269 S HA 0.097 4.572 4.470 0.009 0.000 0.261 269 S C 0.855 175.527 174.600 0.120 0.000 1.314 269 S CA -0.613 57.649 58.200 0.104 0.000 0.992 269 S CB 0.709 63.949 63.200 0.066 0.000 0.935 269 S HN 0.559 nan 8.310 nan 0.000 0.564 270 E N 0.861 121.109 120.200 0.079 0.000 2.077 270 E HA -0.183 4.173 4.350 0.009 0.000 0.193 270 E C 1.905 178.572 176.600 0.112 0.000 0.989 270 E CA 1.472 57.921 56.400 0.081 0.000 0.800 270 E CB -0.577 29.154 29.700 0.051 0.000 0.746 270 E HN 0.914 nan 8.360 nan 0.000 0.452 271 E N 0.612 120.885 120.200 0.121 0.000 2.049 271 E HA -0.184 4.172 4.350 0.009 0.000 0.198 271 E C 2.135 178.903 176.600 0.280 0.000 1.007 271 E CA 1.719 58.225 56.400 0.177 0.000 0.809 271 E CB 0.111 29.929 29.700 0.197 0.000 0.749 271 E HN 0.021 nan 8.360 nan 0.000 0.450 272 V N 1.074 121.115 119.914 0.210 0.000 2.343 272 V HA -0.280 3.845 4.120 0.009 0.000 0.247 272 V C 2.441 178.720 176.094 0.310 0.000 1.051 272 V CA 2.129 64.534 62.300 0.175 0.000 1.036 272 V CB -0.594 31.242 31.823 0.022 0.000 0.654 272 V HN 0.348 nan 8.190 nan 0.000 0.451 273 Q N -0.244 119.741 119.800 0.307 0.000 2.124 273 Q HA -0.170 4.176 4.340 0.009 0.000 0.202 273 Q C 2.413 178.558 176.000 0.242 0.000 0.977 273 Q CA 1.664 57.655 55.803 0.312 0.000 0.850 273 Q CB -0.387 28.464 28.738 0.189 0.000 0.901 273 Q HN 0.686 nan 8.270 nan 0.000 0.429 274 A N 0.417 123.332 122.820 0.158 0.000 1.930 274 A HA -0.211 4.115 4.320 0.009 0.000 0.217 274 A C 1.494 179.093 177.584 0.024 0.000 1.175 274 A CA 1.568 53.643 52.037 0.062 0.000 0.627 274 A CB -0.622 18.374 19.000 -0.006 0.000 0.815 274 A HN 0.355 nan 8.150 nan 0.000 0.443 275 H N -1.849 117.236 119.070 0.026 0.000 2.321 275 H HA -0.071 4.490 4.556 0.009 0.000 0.300 275 H C 1.696 176.976 175.328 -0.080 0.000 1.087 275 H CA 2.296 58.300 56.048 -0.072 0.000 1.319 275 H CB -0.320 29.312 29.762 -0.217 0.000 1.379 275 H HN 0.511 nan 8.280 nan 0.000 0.501 276 F N -0.273 119.748 119.950 0.119 0.000 2.161 276 F HA -0.179 4.353 4.527 0.009 0.000 0.300 276 F C 2.276 178.110 175.800 0.057 0.000 1.089 276 F CA 0.735 58.780 58.000 0.075 0.000 1.282 276 F CB -0.472 38.575 39.000 0.079 0.000 1.010 276 F HN 0.138 nan 8.300 nan 0.000 0.485 277 L N 0.274 121.631 121.223 0.223 0.000 2.083 277 L HA -0.220 4.126 4.340 0.009 0.000 0.209 277 L C 2.123 179.042 176.870 0.083 0.000 1.083 277 L CA 1.791 56.708 54.840 0.128 0.000 0.752 277 L CB -0.895 41.215 42.059 0.084 0.000 0.899 277 L HN 0.193 nan 8.230 nan 0.000 0.433 278 Q N -0.546 119.288 119.800 0.056 0.000 2.508 278 Q HA 0.007 4.352 4.340 0.009 0.000 0.214 278 Q C 1.397 177.427 176.000 0.051 0.000 0.979 278 Q CA 0.747 56.568 55.803 0.030 0.000 0.911 278 Q CB -0.195 28.544 28.738 0.001 0.000 0.969 278 Q HN 0.737 nan 8.270 nan 0.000 0.504 279 G N 0.443 109.293 108.800 0.083 0.000 2.175 279 G HA2 -0.190 3.776 3.960 0.009 0.000 0.244 279 G HA3 -0.190 3.776 3.960 0.009 0.000 0.244 279 G C -0.038 174.911 174.900 0.082 0.000 0.982 279 G CA -0.210 44.945 45.100 0.092 0.000 0.641 279 G HN 0.034 nan 8.290 nan 0.000 0.527 280 K N 0.598 121.024 120.400 0.043 0.000 2.376 280 K HA 0.346 4.671 4.320 0.009 0.000 0.257 280 K C -0.516 175.946 176.600 -0.231 0.000 0.939 280 K CA -1.027 55.259 56.287 -0.002 0.000 0.809 280 K CB 1.300 33.849 32.500 0.081 0.000 1.121 280 K HN 0.145 nan 8.250 nan 0.000 0.425 281 N N 5.182 123.739 118.700 -0.239 0.000 2.416 281 N HA 0.011 4.757 4.740 0.009 0.000 0.271 281 N C -1.648 173.393 175.510 -0.781 0.000 1.245 281 N CA -1.286 51.476 53.050 -0.479 0.000 0.940 281 N CB 0.755 39.216 38.487 -0.042 0.000 1.175 281 N HN 0.247 nan 8.380 nan 0.000 0.483 282 P HA -0.015 nan 4.420 nan 0.000 0.242 282 P C 0.116 176.567 177.300 -1.414 0.000 1.197 282 P CA 0.558 62.476 63.100 -1.971 0.000 0.765 282 P CB -0.128 30.666 31.700 -1.510 0.000 0.936 283 F N 0.118 119.753 119.950 -0.524 0.000 2.664 283 F HA 0.273 4.805 4.527 0.009 0.000 0.303 283 F C 1.288 177.016 175.800 -0.120 0.000 1.092 283 F CA -0.108 57.779 58.000 -0.188 0.000 1.305 283 F CB 0.329 39.284 39.000 -0.076 0.000 1.054 283 F HN -0.283 nan 8.300 nan 0.000 0.565 284 R N 1.884 122.376 120.500 -0.013 0.000 2.494 284 R HA 0.262 4.607 4.340 0.009 0.000 0.284 284 R C -2.728 173.696 176.300 0.206 0.000 1.525 284 R CA -1.553 54.598 56.100 0.086 0.000 1.460 284 R CB 0.690 31.031 30.300 0.068 0.000 1.134 284 R HN -0.071 nan 8.270 nan 0.000 0.592 285 P HA 0.017 nan 4.420 nan 0.000 0.271 285 P C -0.268 177.051 177.300 0.032 0.000 1.233 285 P CA -0.221 62.963 63.100 0.141 0.000 0.789 285 P CB 0.762 32.495 31.700 0.055 0.000 0.951 286 A N 0.745 123.536 122.820 -0.049 0.000 2.488 286 A HA 0.455 4.780 4.320 0.009 0.000 0.249 286 A C 1.383 178.922 177.584 -0.075 0.000 1.083 286 A CA 0.612 52.613 52.037 -0.060 0.000 0.768 286 A CB -1.310 17.635 19.000 -0.091 0.000 1.017 286 A HN 0.895 nan 8.150 nan 0.000 0.496 287 G N 0.667 109.422 108.800 -0.076 0.000 2.175 287 G HA2 -0.093 3.872 3.960 0.009 0.000 0.244 287 G HA3 -0.093 3.872 3.960 0.009 0.000 0.244 287 G C 0.089 174.897 174.900 -0.153 0.000 0.982 287 G CA 0.181 45.211 45.100 -0.116 0.000 0.641 287 G HN 1.661 nan 8.290 nan 0.000 0.527 288 L N 0.789 121.953 121.223 -0.099 0.000 2.456 288 L HA 0.777 5.122 4.340 0.009 0.000 0.272 288 L C -0.004 176.809 176.870 -0.095 0.000 1.189 288 L CA -0.177 54.608 54.840 -0.093 0.000 0.846 288 L CB 1.185 43.227 42.059 -0.028 0.000 1.111 288 L HN 0.236 nan 8.230 nan 0.000 0.475 289 E N 2.886 123.026 120.200 -0.100 0.000 2.287 289 E HA 0.436 4.791 4.350 0.009 0.000 0.274 289 E C -1.703 174.920 176.600 0.039 0.000 0.896 289 E CA -0.451 55.929 56.400 -0.033 0.000 0.788 289 E CB 1.713 31.380 29.700 -0.056 0.000 1.244 289 E HN 0.408 nan 8.360 nan 0.000 0.408 290 V N 4.559 124.494 119.914 0.035 0.000 2.406 290 V HA 0.318 4.443 4.120 0.009 0.000 0.272 290 V C -0.210 175.907 176.094 0.037 0.000 1.043 290 V CA -0.730 61.589 62.300 0.032 0.000 0.915 290 V CB 1.406 33.230 31.823 0.001 0.000 0.988 290 V HN 0.538 nan 8.190 nan 0.000 0.466 291 V N 5.715 125.661 119.914 0.052 0.000 2.385 291 V HA 0.276 4.401 4.120 0.009 0.000 0.269 291 V C 1.029 177.084 176.094 -0.065 0.000 1.043 291 V CA -0.294 62.017 62.300 0.018 0.000 0.906 291 V CB 1.157 33.006 31.823 0.043 0.000 0.995 291 V HN 0.897 nan 8.190 nan 0.000 0.467 292 E N 2.783 122.877 120.200 -0.176 0.000 2.102 292 E HA 0.057 4.412 4.350 0.009 0.000 0.190 292 E C 0.228 176.540 176.600 -0.481 0.000 0.971 292 E CA 0.963 57.124 56.400 -0.398 0.000 0.821 292 E CB 0.258 29.558 29.700 -0.666 0.000 0.777 292 E HN 0.849 nan 8.360 nan 0.000 0.460 293 H N -1.280 117.790 119.070 0.000 0.000 2.710 293 H HA 0.267 4.828 4.556 0.009 0.000 0.361 293 H C 1.026 176.331 175.328 -0.039 0.000 1.175 293 H CA -0.409 55.629 56.048 -0.016 0.000 1.206 293 H CB 1.492 31.245 29.762 -0.016 0.000 1.750 293 H HN -0.240 nan 8.280 nan 0.000 0.553 294 T N 0.183 114.793 114.554 0.094 0.000 2.699 294 T HA -0.203 4.152 4.350 0.009 0.000 0.268 294 T C 1.696 176.364 174.700 -0.054 0.000 1.036 294 T CA 1.804 63.889 62.100 -0.024 0.000 1.147 294 T CB -0.094 68.743 68.868 -0.051 0.000 0.862 294 T HN 0.509 nan 8.240 nan 0.000 0.446 295 E N 1.123 121.313 120.200 -0.017 0.000 2.058 295 E HA -0.041 4.314 4.350 0.009 0.000 0.194 295 E C 2.290 178.862 176.600 -0.046 0.000 0.997 295 E CA 1.399 57.777 56.400 -0.037 0.000 0.801 295 E CB -0.564 29.126 29.700 -0.016 0.000 0.746 295 E HN 0.486 nan 8.360 nan 0.000 0.450 296 A N -0.428 122.380 122.820 -0.020 0.000 1.968 296 A HA -0.102 4.223 4.320 0.009 0.000 0.217 296 A C 2.331 179.864 177.584 -0.085 0.000 1.169 296 A CA 1.662 53.674 52.037 -0.042 0.000 0.638 296 A CB -0.699 18.295 19.000 -0.010 0.000 0.812 296 A HN 0.268 nan 8.150 nan 0.000 0.446 297 S N -0.320 115.336 115.700 -0.074 0.000 2.356 297 S HA -0.167 4.308 4.470 0.009 0.000 0.223 297 S C 2.007 176.513 174.600 -0.158 0.000 1.032 297 S CA 1.788 59.935 58.200 -0.088 0.000 1.005 297 S CB -0.269 62.883 63.200 -0.079 0.000 0.867 297 S HN 0.601 nan 8.310 nan 0.000 0.449 298 K N 0.639 120.925 120.400 -0.191 0.000 2.217 298 K HA 0.117 4.442 4.320 0.009 0.000 0.202 298 K C 2.250 178.734 176.600 -0.193 0.000 1.051 298 K CA 0.822 56.967 56.287 -0.237 0.000 0.952 298 K CB -0.262 32.098 32.500 -0.234 0.000 0.736 298 K HN 0.424 nan 8.250 nan 0.000 0.453 299 A N 1.374 124.108 122.820 -0.143 0.000 1.972 299 A HA -0.115 4.210 4.320 0.009 0.000 0.219 299 A C 2.001 179.509 177.584 -0.128 0.000 1.169 299 A CA 1.084 53.049 52.037 -0.120 0.000 0.635 299 A CB -0.518 18.428 19.000 -0.090 0.000 0.810 299 A HN 0.171 nan 8.150 nan 0.000 0.446 300 L N -0.092 121.044 121.223 -0.145 0.000 2.191 300 L HA -0.212 4.134 4.340 0.009 0.000 0.212 300 L C 2.144 178.980 176.870 -0.057 0.000 1.103 300 L CA 0.937 55.691 54.840 -0.143 0.000 0.769 300 L CB -0.667 41.299 42.059 -0.156 0.000 0.908 300 L HN 0.402 nan 8.230 nan 0.000 0.438 301 N N 1.169 119.815 118.700 -0.089 0.000 2.069 301 N HA -0.195 4.550 4.740 0.009 0.000 0.191 301 N C 1.687 177.142 175.510 -0.091 0.000 1.031 301 N CA 1.541 54.522 53.050 -0.115 0.000 0.852 301 N CB -0.306 37.907 38.487 -0.456 0.000 1.018 301 N HN 0.520 nan 8.380 nan 0.000 0.423 302 R N 0.149 120.579 120.500 -0.117 0.000 2.317 302 R HA 0.483 4.829 4.340 0.009 0.000 0.208 302 R C 0.448 176.730 176.300 -0.029 0.000 0.914 302 R CA -0.029 56.036 56.100 -0.058 0.000 1.060 302 R CB 0.245 30.506 30.300 -0.065 0.000 1.015 302 R HN -0.017 nan 8.270 nan 0.000 0.498 303 A N 3.115 125.915 122.820 -0.035 0.000 2.316 303 A HA 0.476 4.801 4.320 0.009 0.000 0.284 303 A C -2.207 175.378 177.584 0.002 0.000 1.115 303 A CA -1.858 50.168 52.037 -0.018 0.000 0.812 303 A CB 0.325 19.306 19.000 -0.032 0.000 1.064 303 A HN 0.113 nan 8.150 nan 0.000 0.489 304 P HA 0.325 nan 4.420 nan 0.000 0.279 304 P C 0.402 177.718 177.300 0.028 0.000 1.252 304 P CA 0.022 63.133 63.100 0.019 0.000 0.811 304 P CB 1.051 32.761 31.700 0.016 0.000 1.035 305 G N 1.514 110.329 108.800 0.025 0.000 2.611 305 G HA2 0.351 4.317 3.960 0.009 0.000 0.273 305 G HA3 0.351 4.317 3.960 0.009 0.000 0.273 305 G C -2.224 172.688 174.900 0.020 0.000 1.305 305 G CA -1.046 44.070 45.100 0.027 0.000 1.010 305 G HN 0.451 nan 8.290 nan 0.000 0.509 306 P HA 0.342 nan 4.420 nan 0.000 0.279 306 P C -0.520 176.791 177.300 0.019 0.000 1.239 306 P CA 0.092 63.193 63.100 0.002 0.000 0.789 306 P CB 1.267 32.955 31.700 -0.021 0.000 0.933 307 M N 0.690 120.303 119.600 0.021 0.000 2.694 307 M HA 0.497 4.982 4.480 0.009 0.000 0.276 307 M C -2.099 174.214 176.300 0.021 0.000 1.167 307 M CA -1.013 54.318 55.300 0.052 0.000 0.849 307 M CB 1.682 34.402 32.600 0.199 0.000 1.705 307 M HN -0.086 nan 8.290 nan 0.000 0.504 308 V N 2.101 122.021 119.914 0.010 0.000 2.459 308 V HA 0.751 4.876 4.120 0.009 0.000 0.295 308 V C -0.740 175.375 176.094 0.035 0.000 1.029 308 V CA -0.659 61.636 62.300 -0.008 0.000 0.874 308 V CB 1.780 33.581 31.823 -0.037 0.000 0.985 308 V HN 0.699 nan 8.190 nan 0.000 0.438 309 V N 6.142 126.045 119.914 -0.017 0.000 2.443 309 V HA 0.478 4.604 4.120 0.009 0.000 0.293 309 V C -0.749 175.292 176.094 -0.089 0.000 1.021 309 V CA -0.532 61.726 62.300 -0.071 0.000 0.848 309 V CB 1.609 33.249 31.823 -0.305 0.000 0.998 309 V HN 0.586 nan 8.190 nan 0.000 0.424 310 L N 4.685 125.884 121.223 -0.040 0.000 2.296 310 L HA 0.926 5.271 4.340 0.009 0.000 0.286 310 L C 0.264 177.124 176.870 -0.016 0.000 1.023 310 L CA 0.085 54.904 54.840 -0.036 0.000 0.812 310 L CB 1.418 43.466 42.059 -0.018 0.000 1.223 310 L HN 0.849 nan 8.230 nan 0.000 0.421 311 A N 1.765 124.580 122.820 -0.009 0.000 2.606 311 A HA 0.893 5.219 4.320 0.009 0.000 0.293 311 A C -0.407 177.204 177.584 0.044 0.000 1.082 311 A CA -0.073 51.996 52.037 0.053 0.000 0.685 311 A CB 1.248 20.335 19.000 0.145 0.000 1.284 311 A HN 0.718 nan 8.150 nan 0.000 0.408 312 G N -0.045 108.800 108.800 0.075 0.000 2.601 312 G HA2 0.611 4.576 3.960 0.009 0.000 0.317 312 G HA3 0.611 4.576 3.960 0.009 0.000 0.317 312 G C 0.197 175.160 174.900 0.104 0.000 1.246 312 G CA 0.211 45.360 45.100 0.081 0.000 1.012 312 G HN 1.639 nan 8.290 nan 0.000 0.494 313 S N -1.181 114.590 115.700 0.117 0.000 2.592 313 S HA 0.381 4.856 4.470 0.009 0.000 0.271 313 S C 1.605 176.273 174.600 0.114 0.000 1.326 313 S CA 0.152 58.443 58.200 0.152 0.000 1.024 313 S CB 1.380 64.688 63.200 0.179 0.000 0.921 313 S HN 1.120 nan 8.310 nan 0.000 0.527 314 G N 0.448 109.314 108.800 0.111 0.000 2.501 314 G HA2 -0.078 3.887 3.960 0.009 0.000 0.220 314 G HA3 -0.078 3.887 3.960 0.009 0.000 0.220 314 G C 0.774 175.646 174.900 -0.047 0.000 1.114 314 G CA 0.418 45.315 45.100 -0.338 0.000 0.757 314 G HN 0.709 nan 8.290 nan 0.000 0.559 315 M N 0.035 119.772 119.600 0.228 0.000 2.596 315 M HA 0.356 4.841 4.480 0.009 0.000 0.364 315 M C 0.316 176.715 176.300 0.165 0.000 1.158 315 M CA -0.189 55.244 55.300 0.223 0.000 0.940 315 M CB 0.645 33.421 32.600 0.293 0.000 1.388 315 M HN 0.038 nan 8.290 nan 0.000 0.522 316 L N -0.647 120.667 121.223 0.152 0.000 4.001 316 L HA -0.333 4.012 4.340 0.009 0.000 0.413 316 L C 1.544 178.473 176.870 0.098 0.000 1.185 316 L CA 0.343 55.257 54.840 0.123 0.000 0.963 316 L CB -2.153 39.991 42.059 0.141 0.000 1.976 316 L HN 0.512 nan 8.230 nan 0.000 0.939 317 A N -0.607 122.278 122.820 0.110 0.000 1.897 317 A HA 0.432 4.757 4.320 0.009 0.000 0.215 317 A C 1.412 179.040 177.584 0.073 0.000 1.181 317 A CA 1.886 53.977 52.037 0.091 0.000 0.620 317 A CB -0.054 19.010 19.000 0.107 0.000 0.821 317 A HN 0.752 nan 8.150 nan 0.000 0.443 318 G N -3.717 105.132 108.800 0.083 0.000 2.694 318 G HA2 0.588 4.554 3.960 0.009 0.000 0.246 318 G HA3 0.588 4.554 3.960 0.009 0.000 0.246 318 G C 0.242 175.195 174.900 0.089 0.000 1.205 318 G CA 0.155 45.298 45.100 0.072 0.000 0.891 318 G HN 1.831 nan 8.290 nan 0.000 0.515 319 G N -1.181 107.681 108.800 0.102 0.000 2.781 319 G HA2 -0.092 3.873 3.960 0.009 0.000 0.683 319 G HA3 -0.092 3.873 3.960 0.009 0.000 0.683 319 G C 0.665 175.661 174.900 0.159 0.000 1.390 319 G CA 0.456 45.629 45.100 0.120 0.000 0.850 319 G HN 0.854 nan 8.290 nan 0.000 0.557 320 R N -0.281 120.312 120.500 0.156 0.000 2.159 320 R HA -0.086 4.259 4.340 0.009 0.000 0.237 320 R C 2.668 179.070 176.300 0.170 0.000 1.131 320 R CA 1.499 57.694 56.100 0.159 0.000 0.982 320 R CB -0.251 30.101 30.300 0.087 0.000 0.868 320 R HN 0.546 nan 8.270 nan 0.000 0.453 321 I N 1.388 122.078 120.570 0.199 0.000 2.194 321 I HA -0.273 3.902 4.170 0.009 0.000 0.246 321 I C 1.804 178.006 176.117 0.142 0.000 1.093 321 I CA 1.511 62.945 61.300 0.222 0.000 1.355 321 I CB -0.129 37.948 38.000 0.128 0.000 1.046 321 I HN 0.131 nan 8.210 nan 0.000 0.413 322 L N -0.527 120.732 121.223 0.061 0.000 2.127 322 L HA -0.259 4.087 4.340 0.009 0.000 0.211 322 L C 2.541 179.354 176.870 -0.095 0.000 1.089 322 L CA 1.269 56.085 54.840 -0.040 0.000 0.757 322 L CB -1.104 40.883 42.059 -0.120 0.000 0.899 322 L HN 0.394 nan 8.230 nan 0.000 0.434 323 H N -1.312 117.750 119.070 -0.015 0.000 2.423 323 H HA -0.091 4.470 4.556 0.009 0.000 0.297 323 H C 2.221 177.549 175.328 -0.001 0.000 1.075 323 H CA 1.171 57.202 56.048 -0.028 0.000 1.342 323 H CB 0.057 29.725 29.762 -0.157 0.000 1.395 323 H HN 0.465 nan 8.280 nan 0.000 0.530 324 H N -0.058 119.114 119.070 0.170 0.000 2.372 324 H HA -0.067 4.494 4.556 0.009 0.000 0.301 324 H C 2.394 177.776 175.328 0.090 0.000 1.065 324 H CA 0.380 56.492 56.048 0.106 0.000 1.364 324 H CB -0.128 29.662 29.762 0.048 0.000 1.406 324 H HN 0.154 nan 8.280 nan 0.000 0.521 325 L N 1.572 122.899 121.223 0.174 0.000 2.012 325 L HA -0.171 4.174 4.340 0.009 0.000 0.210 325 L C 2.603 179.506 176.870 0.055 0.000 1.073 325 L CA 1.584 56.475 54.840 0.084 0.000 0.748 325 L CB -0.694 41.395 42.059 0.050 0.000 0.891 325 L HN 0.147 nan 8.230 nan 0.000 0.431 326 K N -1.335 119.084 120.400 0.032 0.000 2.044 326 K HA -0.217 4.108 4.320 0.009 0.000 0.210 326 K C 1.921 178.445 176.600 -0.126 0.000 1.049 326 K CA 1.725 57.972 56.287 -0.066 0.000 0.927 326 K CB -0.167 32.268 32.500 -0.109 0.000 0.713 326 K HN 0.501 nan 8.250 nan 0.000 0.443 327 H N -2.283 116.805 119.070 0.029 0.000 2.553 327 H HA 0.083 4.644 4.556 0.009 0.000 0.265 327 H C 1.521 176.872 175.328 0.037 0.000 0.964 327 H CA 0.886 56.954 56.048 0.032 0.000 1.156 327 H CB 0.937 30.721 29.762 0.036 0.000 1.411 327 H HN 0.445 nan 8.280 nan 0.000 0.558 328 G N 0.038 108.921 108.800 0.138 0.000 2.759 328 G HA2 -0.031 3.934 3.960 0.009 0.000 0.208 328 G HA3 -0.031 3.934 3.960 0.009 0.000 0.208 328 G C 1.418 176.350 174.900 0.053 0.000 1.076 328 G CA -0.173 44.983 45.100 0.094 0.000 0.789 328 G HN 0.079 nan 8.290 nan 0.000 0.546 329 L N 2.382 123.630 121.223 0.041 0.000 2.187 329 L HA -0.013 4.332 4.340 0.009 0.000 0.213 329 L C 2.807 179.689 176.870 0.020 0.000 1.100 329 L CA 1.909 56.765 54.840 0.026 0.000 0.765 329 L CB -0.319 41.752 42.059 0.020 0.000 0.904 329 L HN 0.362 nan 8.230 nan 0.000 0.437 330 S N -2.337 113.372 115.700 0.015 0.000 2.603 330 S HA -0.004 4.472 4.470 0.009 0.000 0.220 330 S C 0.640 175.251 174.600 0.018 0.000 0.967 330 S CA -0.291 57.915 58.200 0.011 0.000 0.920 330 S CB -0.373 62.827 63.200 -0.001 0.000 0.773 330 S HN 0.375 nan 8.310 nan 0.000 0.529 331 D N 2.177 122.592 120.400 0.025 0.000 2.381 331 D HA 0.326 4.971 4.640 0.009 0.000 0.235 331 D C -1.757 174.558 176.300 0.025 0.000 1.068 331 D CA -2.326 51.689 54.000 0.025 0.000 0.832 331 D CB 2.241 43.059 40.800 0.031 0.000 1.101 331 D HN 0.001 nan 8.370 nan 0.000 0.515 332 P HA -0.126 nan 4.420 nan 0.000 0.221 332 P C 0.970 178.286 177.300 0.027 0.000 1.145 332 P CA 0.692 63.806 63.100 0.024 0.000 0.795 332 P CB 0.496 32.207 31.700 0.019 0.000 0.775 333 R N -1.277 119.237 120.500 0.023 0.000 2.200 333 R HA 0.068 4.413 4.340 0.009 0.000 0.208 333 R C 0.722 177.034 176.300 0.021 0.000 1.033 333 R CA 0.154 56.266 56.100 0.019 0.000 1.000 333 R CB -0.257 30.051 30.300 0.013 0.000 0.906 333 R HN 0.280 nan 8.270 nan 0.000 0.462 334 N N 0.601 119.316 118.700 0.025 0.000 2.408 334 N HA 0.328 5.074 4.740 0.009 0.000 0.260 334 N C -0.727 174.807 175.510 0.039 0.000 1.242 334 N CA 0.042 53.106 53.050 0.024 0.000 0.959 334 N CB 1.113 39.615 38.487 0.026 0.000 1.201 334 N HN 0.065 nan 8.380 nan 0.000 0.511 335 A N 0.360 123.198 122.820 0.030 0.000 2.488 335 A HA 0.520 4.845 4.320 0.009 0.000 0.298 335 A C -1.261 176.341 177.584 0.029 0.000 1.044 335 A CA -0.634 51.444 52.037 0.068 0.000 0.693 335 A CB 1.045 20.062 19.000 0.029 0.000 1.272 335 A HN 0.560 nan 8.150 nan 0.000 0.402 336 L N 2.883 124.139 121.223 0.055 0.000 2.296 336 L HA 0.678 5.023 4.340 0.009 0.000 0.286 336 L C -1.263 175.565 176.870 -0.070 0.000 1.023 336 L CA -0.738 54.045 54.840 -0.095 0.000 0.812 336 L CB 1.607 43.556 42.059 -0.185 0.000 1.223 336 L HN 0.492 nan 8.230 nan 0.000 0.421 337 V N 5.115 124.934 119.914 -0.158 0.000 2.325 337 V HA 0.286 4.412 4.120 0.009 0.000 0.280 337 V C -0.405 175.616 176.094 -0.122 0.000 1.016 337 V CA -0.527 61.751 62.300 -0.038 0.000 0.818 337 V CB 1.097 32.968 31.823 0.080 0.000 1.019 337 V HN 0.438 nan 8.190 nan 0.000 0.434 338 F N 4.032 124.028 119.950 0.078 0.000 2.472 338 F HA 0.323 4.855 4.527 0.009 0.000 0.364 338 F C 0.977 176.812 175.800 0.059 0.000 1.090 338 F CA -0.296 57.728 58.000 0.040 0.000 1.188 338 F CB 1.535 40.566 39.000 0.051 0.000 1.105 338 F HN 0.413 nan 8.300 nan 0.000 0.536 339 V N 1.153 121.171 119.914 0.174 0.000 2.940 339 V HA 0.797 4.922 4.120 0.009 0.000 0.366 339 V C 0.290 176.503 176.094 0.199 0.000 1.353 339 V CA 0.119 62.516 62.300 0.162 0.000 1.232 339 V CB -0.265 31.447 31.823 -0.184 0.000 1.278 339 V HN 0.815 nan 8.190 nan 0.000 0.546 340 G N -0.866 108.080 108.800 0.243 0.000 2.547 340 G HA2 0.390 4.355 3.960 0.009 0.000 0.291 340 G HA3 0.390 4.355 3.960 0.009 0.000 0.291 340 G C -1.584 173.521 174.900 0.341 0.000 1.471 340 G CA -0.870 44.419 45.100 0.316 0.000 0.798 340 G HN 0.332 nan 8.290 nan 0.000 0.504 341 Y N 1.501 121.991 120.300 0.317 0.000 2.729 341 Y HA 0.291 4.847 4.550 0.009 0.000 0.331 341 Y C 0.201 176.202 175.900 0.168 0.000 1.208 341 Y CA 0.305 58.561 58.100 0.260 0.000 1.521 341 Y CB 0.662 39.338 38.460 0.360 0.000 1.233 341 Y HN 0.296 nan 8.280 nan 0.000 0.539 342 Q N 9.201 128.720 119.800 -0.469 0.000 2.303 342 Q HA 0.300 4.645 4.340 0.009 0.000 0.257 342 Q C -2.289 173.273 176.000 -0.729 0.000 0.941 342 Q CA -2.152 53.365 55.803 -0.477 0.000 0.931 342 Q CB 1.117 29.530 28.738 -0.542 0.000 1.215 342 Q HN 0.588 nan 8.270 nan 0.000 0.437 343 P HA -0.063 nan 4.420 nan 0.000 0.267 343 P C -0.261 176.928 177.300 -0.186 0.000 1.200 343 P CA -0.207 62.755 63.100 -0.231 0.000 0.772 343 P CB 0.755 32.470 31.700 0.024 0.000 0.855 344 Q N 1.463 121.200 119.800 -0.104 0.000 2.330 344 Q HA 0.313 4.658 4.340 0.009 0.000 0.279 344 Q C 1.397 177.372 176.000 -0.042 0.000 1.024 344 Q CA 1.623 57.386 55.803 -0.067 0.000 0.900 344 Q CB -0.621 28.109 28.738 -0.014 0.000 1.221 344 Q HN 0.843 nan 8.270 nan 0.000 0.396 345 G N 2.294 111.067 108.800 -0.045 0.000 2.189 345 G HA2 -0.238 3.727 3.960 0.009 0.000 0.267 345 G HA3 -0.238 3.727 3.960 0.009 0.000 0.267 345 G C 0.357 175.243 174.900 -0.024 0.000 0.975 345 G CA 0.118 45.201 45.100 -0.027 0.000 0.644 345 G HN 0.988 nan 8.290 nan 0.000 0.537 346 G N -1.182 107.595 108.800 -0.038 0.000 2.502 346 G HA2 0.608 4.573 3.960 0.009 0.000 0.305 346 G HA3 0.608 4.573 3.960 0.009 0.000 0.305 346 G C 1.045 175.932 174.900 -0.022 0.000 1.190 346 G CA -0.023 45.065 45.100 -0.021 0.000 0.933 346 G HN 0.869 nan 8.290 nan 0.000 0.503 347 L N 1.298 122.526 121.223 0.008 0.000 2.187 347 L HA 0.021 4.367 4.340 0.009 0.000 0.213 347 L C 2.514 179.403 176.870 0.033 0.000 1.100 347 L CA 2.691 57.548 54.840 0.027 0.000 0.765 347 L CB -0.759 41.330 42.059 0.050 0.000 0.904 347 L HN 0.602 nan 8.230 nan 0.000 0.437 348 G N -0.844 107.950 108.800 -0.010 0.000 2.511 348 G HA2 -0.283 3.682 3.960 0.009 0.000 0.216 348 G HA3 -0.283 3.682 3.960 0.009 0.000 0.216 348 G C 1.604 176.365 174.900 -0.231 0.000 1.218 348 G CA 0.961 45.975 45.100 -0.145 0.000 0.788 348 G HN 0.624 nan 8.290 nan 0.000 0.560 349 A N 0.545 123.240 122.820 -0.207 0.000 1.940 349 A HA -0.080 4.245 4.320 0.009 0.000 0.219 349 A C 2.181 179.715 177.584 -0.083 0.000 1.176 349 A CA 2.152 54.088 52.037 -0.167 0.000 0.631 349 A CB -0.534 18.381 19.000 -0.141 0.000 0.814 349 A HN 0.538 nan 8.150 nan 0.000 0.446 350 E N -0.236 119.936 120.200 -0.047 0.000 2.085 350 E HA -0.189 4.167 4.350 0.009 0.000 0.194 350 E C 1.859 178.463 176.600 0.008 0.000 0.994 350 E CA 1.378 57.769 56.400 -0.014 0.000 0.801 350 E CB -0.213 29.486 29.700 -0.002 0.000 0.743 350 E HN 0.685 nan 8.360 nan 0.000 0.453 351 I N 0.751 121.343 120.570 0.036 0.000 2.315 351 I HA -0.242 3.933 4.170 0.009 0.000 0.248 351 I C 2.286 178.448 176.117 0.075 0.000 1.117 351 I CA 0.777 62.128 61.300 0.084 0.000 1.404 351 I CB -0.108 38.005 38.000 0.189 0.000 1.071 351 I HN 0.202 nan 8.210 nan 0.000 0.419 352 I N 0.856 121.448 120.570 0.037 0.000 2.454 352 I HA -0.232 3.944 4.170 0.009 0.000 0.254 352 I C 2.573 178.691 176.117 0.002 0.000 1.156 352 I CA 0.956 62.267 61.300 0.017 0.000 1.433 352 I CB -0.421 37.537 38.000 -0.069 0.000 1.082 352 I HN 0.160 nan 8.210 nan 0.000 0.432 353 A N 0.453 123.269 122.820 -0.007 0.000 2.172 353 A HA -0.121 4.204 4.320 0.009 0.000 0.216 353 A C 1.422 179.007 177.584 0.002 0.000 1.154 353 A CA 0.195 52.228 52.037 -0.007 0.000 0.701 353 A CB -0.451 18.543 19.000 -0.010 0.000 0.789 353 A HN 0.495 nan 8.150 nan 0.000 0.465 354 R N -0.848 119.659 120.500 0.012 0.000 3.127 354 R HA -0.128 4.217 4.340 0.009 0.000 0.247 354 R C -2.280 174.026 176.300 0.009 0.000 0.896 354 R CA 0.506 56.614 56.100 0.015 0.000 0.624 354 R CB -1.366 28.939 30.300 0.008 0.000 1.154 354 R HN 0.487 nan 8.270 nan 0.000 0.474 355 P HA 0.173 nan 4.420 nan 0.000 0.276 355 P C -1.981 175.323 177.300 0.006 0.000 1.261 355 P CA -1.176 61.927 63.100 0.006 0.000 0.800 355 P CB 0.643 32.346 31.700 0.005 0.000 1.066 356 P HA -0.012 nan 4.420 nan 0.000 0.220 356 P C 0.312 177.614 177.300 0.003 0.000 1.148 356 P CA 1.287 64.389 63.100 0.003 0.000 0.803 356 P CB 0.208 31.909 31.700 0.001 0.000 0.782 357 A N -1.373 121.449 122.820 0.003 0.000 2.593 357 A HA 0.646 4.971 4.320 0.009 0.000 0.290 357 A C -1.368 176.217 177.584 0.002 0.000 1.126 357 A CA -0.491 51.546 52.037 0.001 0.000 0.695 357 A CB 1.785 20.782 19.000 -0.004 0.000 1.290 357 A HN -0.143 nan 8.150 nan 0.000 0.414 358 V N 0.245 120.159 119.914 0.000 0.000 3.007 358 V HA 0.583 4.708 4.120 0.009 0.000 0.311 358 V C -0.209 175.881 176.094 -0.006 0.000 1.120 358 V CA -0.718 61.584 62.300 0.003 0.000 0.980 358 V CB 2.112 33.943 31.823 0.014 0.000 1.033 358 V HN 0.920 nan 8.190 nan 0.000 0.429 359 R N 3.114 123.610 120.500 -0.006 0.000 2.198 359 R HA 0.683 5.028 4.340 0.009 0.000 0.339 359 R C -1.417 174.873 176.300 -0.018 0.000 1.020 359 R CA -0.236 55.855 56.100 -0.014 0.000 0.864 359 R CB 0.434 30.728 30.300 -0.011 0.000 1.105 359 R HN 0.693 nan 8.270 nan 0.000 0.463 360 I N 5.886 126.436 120.570 -0.032 0.000 2.447 360 I HA 0.192 4.368 4.170 0.009 0.000 0.287 360 I C -0.430 175.645 176.117 -0.069 0.000 1.023 360 I CA -1.055 60.218 61.300 -0.046 0.000 1.083 360 I CB 1.930 39.902 38.000 -0.048 0.000 1.245 360 I HN 0.537 nan 8.210 nan 0.000 0.434 361 L N 6.326 127.505 121.223 -0.074 0.000 3.664 361 L HA -0.175 4.170 4.340 0.009 0.000 0.560 361 L C 1.233 178.074 176.870 -0.047 0.000 1.285 361 L CA 1.206 55.999 54.840 -0.079 0.000 0.864 361 L CB -2.357 39.623 42.059 -0.131 0.000 1.512 361 L HN 1.137 nan 8.230 nan 0.000 0.853 362 G N 0.600 109.381 108.800 -0.032 0.000 2.390 362 G HA2 -0.268 3.697 3.960 0.009 0.000 0.299 362 G HA3 -0.268 3.697 3.960 0.009 0.000 0.299 362 G C 0.303 175.188 174.900 -0.025 0.000 1.002 362 G CA 1.150 46.237 45.100 -0.022 0.000 0.979 362 G HN 0.829 nan 8.290 nan 0.000 0.513 363 E N -1.062 119.118 120.200 -0.033 0.000 2.378 363 E HA 0.406 4.761 4.350 0.009 0.000 0.283 363 E C -1.078 175.499 176.600 -0.037 0.000 0.979 363 E CA -0.860 55.518 56.400 -0.037 0.000 0.795 363 E CB 1.098 30.767 29.700 -0.052 0.000 1.221 363 E HN 0.065 nan 8.360 nan 0.000 0.428 364 E N 1.726 121.907 120.200 -0.030 0.000 2.259 364 E HA 0.315 4.670 4.350 0.009 0.000 0.281 364 E C -1.442 175.139 176.600 -0.032 0.000 1.037 364 E CA -0.219 56.166 56.400 -0.025 0.000 0.854 364 E CB 1.633 31.323 29.700 -0.017 0.000 1.051 364 E HN 0.227 nan 8.360 nan 0.000 0.409 365 V N 6.828 126.725 119.914 -0.030 0.000 2.444 365 V HA 0.515 4.640 4.120 0.009 0.000 0.294 365 V C -2.533 173.550 176.094 -0.017 0.000 1.022 365 V CA -2.708 59.572 62.300 -0.034 0.000 0.850 365 V CB 1.849 33.644 31.823 -0.047 0.000 0.992 365 V HN 0.647 nan 8.190 nan 0.000 0.426 366 P HA 0.109 nan 4.420 nan 0.000 0.265 366 P C -0.848 176.452 177.300 0.001 0.000 1.193 366 P CA -0.052 63.045 63.100 -0.005 0.000 0.765 366 P CB 0.426 32.124 31.700 -0.004 0.000 0.823 367 L N 4.933 126.160 121.223 0.007 0.000 2.353 367 L HA 0.269 4.614 4.340 0.009 0.000 0.269 367 L C 0.886 177.765 176.870 0.015 0.000 1.085 367 L CA 0.416 55.265 54.840 0.014 0.000 0.938 367 L CB -0.333 41.738 42.059 0.020 0.000 1.312 367 L HN 0.257 nan 8.230 nan 0.000 0.429 368 R N 2.748 123.257 120.500 0.016 0.000 2.225 368 R HA 0.411 4.756 4.340 0.009 0.000 0.194 368 R C 0.830 177.144 176.300 0.023 0.000 0.957 368 R CA 0.321 56.431 56.100 0.017 0.000 1.042 368 R CB 0.160 30.469 30.300 0.015 0.000 1.004 368 R HN 0.635 nan 8.270 nan 0.000 0.509 369 A N 2.105 124.942 122.820 0.028 0.000 2.555 369 A HA 0.105 4.430 4.320 0.009 0.000 0.233 369 A C 0.563 178.176 177.584 0.047 0.000 1.060 369 A CA 0.030 52.091 52.037 0.040 0.000 0.759 369 A CB 0.187 19.210 19.000 0.038 0.000 0.995 369 A HN 0.376 nan 8.150 nan 0.000 0.506 370 S N 0.593 116.340 115.700 0.079 0.000 2.585 370 S HA 0.510 4.986 4.470 0.009 0.000 0.273 370 S C -0.214 174.436 174.600 0.084 0.000 1.339 370 S CA -0.560 57.683 58.200 0.072 0.000 1.028 370 S CB 0.985 64.309 63.200 0.207 0.000 0.906 370 S HN 0.907 nan 8.310 nan 0.000 0.528 371 V N 3.589 123.454 119.914 -0.082 0.000 2.604 371 V HA 0.522 4.648 4.120 0.009 0.000 0.305 371 V C -0.530 175.444 176.094 -0.200 0.000 1.043 371 V CA -0.616 61.691 62.300 0.012 0.000 0.888 371 V CB 1.457 33.326 31.823 0.076 0.000 0.995 371 V HN 1.004 nan 8.190 nan 0.000 0.429 372 H N 1.775 120.925 119.070 0.133 0.000 2.806 372 H HA 0.500 5.061 4.556 0.009 0.000 0.367 372 H C -1.115 174.354 175.328 0.235 0.000 1.136 372 H CA -0.622 55.515 56.048 0.148 0.000 1.178 372 H CB 2.587 32.418 29.762 0.116 0.000 1.718 372 H HN 0.510 nan 8.280 nan 0.000 0.540 373 T N 3.876 118.615 114.554 0.309 0.000 2.815 373 T HA 0.290 4.645 4.350 0.009 0.000 0.289 373 T C 0.428 175.254 174.700 0.210 0.000 1.000 373 T CA -0.691 61.583 62.100 0.290 0.000 0.958 373 T CB 0.535 69.509 68.868 0.177 0.000 0.944 373 T HN 0.305 nan 8.240 nan 0.000 0.442 374 L N 3.236 124.588 121.223 0.215 0.000 2.494 374 L HA 0.360 4.705 4.340 0.009 0.000 0.251 374 L C 1.817 178.751 176.870 0.106 0.000 1.119 374 L CA -0.668 54.243 54.840 0.117 0.000 1.026 374 L CB 0.341 42.463 42.059 0.105 0.000 1.370 374 L HN 0.884 nan 8.230 nan 0.000 0.426 375 G N 1.243 110.101 108.800 0.097 0.000 2.485 375 G HA2 -0.235 3.730 3.960 0.009 0.000 0.221 375 G HA3 -0.235 3.730 3.960 0.009 0.000 0.221 375 G C 1.449 176.378 174.900 0.048 0.000 1.115 375 G CA 0.827 45.996 45.100 0.115 0.000 0.751 375 G HN 0.715 nan 8.290 nan 0.000 0.567 376 G N 0.145 108.901 108.800 -0.073 0.000 2.501 376 G HA2 -0.132 3.833 3.960 0.009 0.000 0.220 376 G HA3 -0.132 3.833 3.960 0.009 0.000 0.220 376 G C 1.300 176.140 174.900 -0.101 0.000 1.114 376 G CA 0.187 45.193 45.100 -0.157 0.000 0.757 376 G HN 0.475 nan 8.290 nan 0.000 0.559 377 F N 0.481 120.471 119.950 0.067 0.000 2.811 377 F HA 0.178 4.710 4.527 0.009 0.000 0.301 377 F C 1.621 177.454 175.800 0.055 0.000 1.151 377 F CA -0.449 57.605 58.000 0.091 0.000 1.412 377 F CB 0.159 39.179 39.000 0.034 0.000 1.113 377 F HN 0.124 nan 8.300 nan 0.000 0.579 378 Q N 1.188 121.086 119.800 0.164 0.000 2.304 378 Q HA -0.067 4.278 4.340 0.009 0.000 0.315 378 Q C 1.221 177.246 176.000 0.043 0.000 1.075 378 Q CA 0.516 56.372 55.803 0.089 0.000 0.988 378 Q CB 1.061 29.745 28.738 -0.090 0.000 1.146 378 Q HN 0.403 nan 8.270 nan 0.000 0.383 379 G N 4.023 112.889 108.800 0.109 0.000 3.042 379 G HA2 0.010 3.975 3.960 0.009 0.000 0.212 379 G HA3 0.010 3.975 3.960 0.009 0.000 0.212 379 G C 0.041 174.941 174.900 0.000 0.000 1.166 379 G CA -0.123 44.999 45.100 0.037 0.000 0.767 379 G HN 0.684 nan 8.290 nan 0.000 0.546 380 H N -0.245 118.885 119.070 0.101 0.000 2.573 380 H HA 0.553 5.114 4.556 0.009 0.000 0.351 380 H C -0.011 175.304 175.328 -0.022 0.000 1.163 380 H CA -0.613 55.462 56.048 0.045 0.000 1.205 380 H CB 1.941 31.800 29.762 0.161 0.000 1.605 380 H HN 0.116 nan 8.280 nan 0.000 0.525 381 A N 1.738 124.616 122.820 0.097 0.000 2.520 381 A HA 0.345 4.670 4.320 0.009 0.000 0.245 381 A C 0.997 178.623 177.584 0.071 0.000 1.072 381 A CA 0.464 52.535 52.037 0.056 0.000 0.761 381 A CB -0.195 18.777 19.000 -0.046 0.000 1.004 381 A HN 0.757 nan 8.150 nan 0.000 0.499 382 G N 0.056 108.876 108.800 0.032 0.000 2.580 382 G HA2 0.330 4.295 3.960 0.009 0.000 0.278 382 G HA3 0.330 4.295 3.960 0.009 0.000 0.278 382 G C 0.727 175.613 174.900 -0.022 0.000 1.212 382 G CA 0.303 45.377 45.100 -0.044 0.000 0.939 382 G HN 0.953 nan 8.290 nan 0.000 0.513 383 Q N -0.398 119.411 119.800 0.015 0.000 2.082 383 Q HA -0.280 4.065 4.340 0.009 0.000 0.211 383 Q C 2.038 178.037 176.000 -0.002 0.000 1.002 383 Q CA 2.696 58.512 55.803 0.023 0.000 0.868 383 Q CB -0.237 28.520 28.738 0.032 0.000 0.931 383 Q HN 0.722 nan 8.270 nan 0.000 0.414 384 D N -0.474 119.900 120.400 -0.042 0.000 2.178 384 D HA -0.198 4.447 4.640 0.009 0.000 0.201 384 D C 1.317 177.612 176.300 -0.010 0.000 0.980 384 D CA 1.634 55.615 54.000 -0.032 0.000 0.842 384 D CB -0.464 40.299 40.800 -0.060 0.000 0.948 384 D HN 0.525 nan 8.370 nan 0.000 0.472 385 E N -0.559 119.625 120.200 -0.027 0.000 2.112 385 E HA -0.036 4.319 4.350 0.009 0.000 0.190 385 E C 1.910 178.551 176.600 0.069 0.000 0.979 385 E CA 0.033 56.446 56.400 0.021 0.000 0.814 385 E CB 0.054 29.759 29.700 0.009 0.000 0.762 385 E HN 0.097 nan 8.360 nan 0.000 0.460 386 L N 0.777 122.029 121.223 0.049 0.000 2.017 386 L HA -0.177 4.168 4.340 0.009 0.000 0.208 386 L C 2.186 179.138 176.870 0.137 0.000 1.073 386 L CA 1.530 56.421 54.840 0.085 0.000 0.745 386 L CB -0.929 41.162 42.059 0.053 0.000 0.894 386 L HN 0.205 nan 8.230 nan 0.000 0.432 387 L N -0.746 120.528 121.223 0.085 0.000 2.012 387 L HA -0.273 4.072 4.340 0.009 0.000 0.210 387 L C 2.288 179.207 176.870 0.082 0.000 1.073 387 L CA 1.442 56.325 54.840 0.072 0.000 0.748 387 L CB -0.686 41.399 42.059 0.042 0.000 0.891 387 L HN 0.298 nan 8.230 nan 0.000 0.431 388 D N -1.036 119.418 120.400 0.090 0.000 2.117 388 D HA -0.237 4.409 4.640 0.009 0.000 0.197 388 D C 1.769 178.140 176.300 0.119 0.000 0.987 388 D CA 1.158 55.209 54.000 0.086 0.000 0.829 388 D CB -0.264 40.587 40.800 0.085 0.000 0.961 388 D HN 0.406 nan 8.370 nan 0.000 0.460 389 W N 0.831 122.113 121.300 -0.029 0.000 2.363 389 W HA -0.118 4.546 4.660 0.008 0.000 0.296 389 W C 1.636 178.117 176.519 -0.064 0.000 1.212 389 W CA 0.657 57.972 57.345 -0.050 0.000 1.260 389 W CB -0.104 29.321 29.460 -0.059 0.000 1.131 389 W HN -0.100 nan 8.180 nan 0.000 0.530 390 L N 0.757 122.054 121.223 0.124 0.000 2.554 390 L HA 0.035 4.380 4.340 0.009 0.000 0.226 390 L C 1.369 178.203 176.870 -0.060 0.000 1.137 390 L CA 0.913 55.752 54.840 -0.002 0.000 0.863 390 L CB -1.870 40.245 42.059 0.094 0.000 0.985 390 L HN -0.061 nan 8.230 nan 0.000 0.451 391 Q N 0.677 120.451 119.800 -0.044 0.000 2.304 391 Q HA 0.035 4.380 4.340 0.009 0.000 0.315 391 Q C 1.259 177.214 176.000 -0.075 0.000 1.075 391 Q CA 1.284 57.060 55.803 -0.044 0.000 0.988 391 Q CB 0.296 29.017 28.738 -0.030 0.000 1.146 391 Q HN 0.558 nan 8.270 nan 0.000 0.383 392 G N 3.783 112.551 108.800 -0.054 0.000 2.189 392 G HA2 -0.232 3.733 3.960 0.009 0.000 0.267 392 G HA3 -0.232 3.733 3.960 0.009 0.000 0.267 392 G C -0.177 174.682 174.900 -0.069 0.000 0.975 392 G CA 0.461 45.526 45.100 -0.057 0.000 0.644 392 G HN 0.601 nan 8.290 nan 0.000 0.537 393 E N 0.782 120.933 120.200 -0.081 0.000 2.194 393 E HA 0.230 4.586 4.350 0.009 0.000 0.284 393 E C -0.860 175.710 176.600 -0.050 0.000 1.035 393 E CA -1.397 54.952 56.400 -0.084 0.000 0.836 393 E CB 1.748 31.382 29.700 -0.111 0.000 1.070 393 E HN 0.279 nan 8.360 nan 0.000 0.401 394 P HA -0.134 nan 4.420 nan 0.000 0.216 394 P C -0.065 177.222 177.300 -0.022 0.000 1.153 394 P CA 1.200 64.282 63.100 -0.029 0.000 0.848 394 P CB 0.643 32.326 31.700 -0.027 0.000 0.787 395 R N -0.825 119.662 120.500 -0.022 0.000 2.628 395 R HA 0.650 4.995 4.340 0.009 0.000 0.288 395 R C -1.313 174.981 176.300 -0.010 0.000 0.980 395 R CA -0.808 55.283 56.100 -0.015 0.000 0.891 395 R CB 2.912 33.202 30.300 -0.016 0.000 1.188 395 R HN -0.207 nan 8.270 nan 0.000 0.450 396 V N 3.067 122.980 119.914 -0.002 0.000 2.612 396 V HA 0.310 4.435 4.120 0.009 0.000 0.301 396 V C -0.723 175.377 176.094 0.010 0.000 1.059 396 V CA -0.837 61.470 62.300 0.012 0.000 0.886 396 V CB 2.241 34.079 31.823 0.025 0.000 1.007 396 V HN 0.465 nan 8.190 nan 0.000 0.426 397 V N 6.256 126.175 119.914 0.008 0.000 2.398 397 V HA 0.504 4.630 4.120 0.009 0.000 0.286 397 V C -0.126 175.974 176.094 0.011 0.000 1.026 397 V CA -0.502 61.794 62.300 -0.005 0.000 0.868 397 V CB 1.654 33.455 31.823 -0.037 0.000 0.982 397 V HN 0.633 nan 8.190 nan 0.000 0.443 398 L N 6.213 127.447 121.223 0.018 0.000 2.307 398 L HA 0.791 5.137 4.340 0.009 0.000 0.282 398 L C -0.020 176.878 176.870 0.046 0.000 1.051 398 L CA -0.492 54.372 54.840 0.039 0.000 0.804 398 L CB 1.633 43.715 42.059 0.039 0.000 1.197 398 L HN 0.640 nan 8.230 nan 0.000 0.431 399 V N -1.098 118.866 119.914 0.085 0.000 3.105 399 V HA 0.520 4.645 4.120 0.009 0.000 0.311 399 V C -0.070 176.147 176.094 0.206 0.000 1.287 399 V CA -0.827 61.553 62.300 0.134 0.000 1.066 399 V CB 1.527 33.447 31.823 0.162 0.000 1.105 399 V HN 0.871 nan 8.190 nan 0.000 0.462 400 H N 0.189 119.313 119.070 0.092 0.000 2.740 400 H HA -0.019 4.542 4.556 0.008 0.000 0.327 400 H C -0.172 175.132 175.328 -0.040 0.000 1.077 400 H CA 1.485 57.562 56.048 0.048 0.000 1.088 400 H CB -1.001 28.815 29.762 0.089 0.000 1.619 400 H HN 2.123 nan 8.280 nan 0.000 0.386 401 G N 2.243 111.029 108.800 -0.022 0.000 2.361 401 G HA2 0.249 4.215 3.960 0.009 0.000 0.299 401 G HA3 0.249 4.215 3.960 0.009 0.000 0.299 401 G C -1.085 173.777 174.900 -0.062 0.000 1.544 401 G CA -0.541 44.522 45.100 -0.062 0.000 0.860 401 G HN 0.284 nan 8.290 nan 0.000 0.610 402 E N 0.254 120.403 120.200 -0.084 0.000 2.398 402 E HA 0.128 4.483 4.350 0.009 0.000 0.263 402 E C 1.094 177.679 176.600 -0.025 0.000 1.046 402 E CA 0.015 56.386 56.400 -0.049 0.000 0.908 402 E CB 1.851 31.522 29.700 -0.048 0.000 0.963 402 E HN 0.667 nan 8.360 nan 0.000 0.431 403 E N 2.113 122.307 120.200 -0.010 0.000 2.068 403 E HA -0.329 4.026 4.350 0.009 0.000 0.207 403 E C 1.284 177.884 176.600 -0.000 0.000 1.032 403 E CA 2.121 58.521 56.400 -0.000 0.000 0.839 403 E CB 0.152 29.853 29.700 0.002 0.000 0.758 403 E HN 0.471 nan 8.360 nan 0.000 0.457 404 E N 0.625 120.824 120.200 -0.001 0.000 2.118 404 E HA -0.189 4.166 4.350 0.009 0.000 0.195 404 E C 1.948 178.549 176.600 0.002 0.000 0.992 404 E CA 1.393 57.794 56.400 0.003 0.000 0.804 404 E CB -0.104 29.599 29.700 0.005 0.000 0.741 404 E HN 0.271 nan 8.360 nan 0.000 0.458 405 K N -0.077 120.318 120.400 -0.009 0.000 2.103 405 K HA -0.026 4.300 4.320 0.009 0.000 0.204 405 K C 1.803 178.402 176.600 -0.002 0.000 1.052 405 K CA 0.572 56.852 56.287 -0.013 0.000 0.945 405 K CB -0.066 32.401 32.500 -0.054 0.000 0.722 405 K HN 0.046 nan 8.250 nan 0.000 0.443 406 L N 0.903 122.125 121.223 -0.001 0.000 2.093 406 L HA -0.130 4.215 4.340 0.009 0.000 0.208 406 L C 2.101 178.980 176.870 0.015 0.000 1.085 406 L CA 1.310 56.157 54.840 0.012 0.000 0.755 406 L CB -0.722 41.346 42.059 0.016 0.000 0.904 406 L HN 0.075 nan 8.230 nan 0.000 0.435 407 L N -0.466 120.764 121.223 0.012 0.000 1.976 407 L HA -0.143 4.202 4.340 0.009 0.000 0.209 407 L C 2.683 179.562 176.870 0.015 0.000 1.071 407 L CA 2.088 56.935 54.840 0.013 0.000 0.746 407 L CB -1.638 40.427 42.059 0.010 0.000 0.890 407 L HN 0.256 nan 8.230 nan 0.000 0.432 408 A N -0.893 121.936 122.820 0.016 0.000 1.927 408 A HA -0.260 4.066 4.320 0.009 0.000 0.220 408 A C 2.408 180.005 177.584 0.022 0.000 1.185 408 A CA 2.203 54.252 52.037 0.019 0.000 0.639 408 A CB -0.931 18.082 19.000 0.023 0.000 0.820 408 A HN 0.444 nan 8.150 nan 0.000 0.451 409 L N -0.914 120.324 121.223 0.024 0.000 2.056 409 L HA -0.069 4.276 4.340 0.009 0.000 0.207 409 L C 2.580 179.465 176.870 0.025 0.000 1.078 409 L CA 1.466 56.323 54.840 0.028 0.000 0.749 409 L CB -0.790 41.288 42.059 0.033 0.000 0.901 409 L HN 0.455 nan 8.230 nan 0.000 0.433 410 G N -0.054 108.759 108.800 0.022 0.000 2.469 410 G HA2 -0.373 3.592 3.960 0.009 0.000 0.219 410 G HA3 -0.373 3.592 3.960 0.009 0.000 0.219 410 G C 1.600 176.509 174.900 0.016 0.000 1.150 410 G CA 1.135 46.246 45.100 0.019 0.000 0.763 410 G HN 0.359 nan 8.290 nan 0.000 0.561 411 K N -0.009 120.400 120.400 0.015 0.000 2.020 411 K HA -0.054 4.271 4.320 0.009 0.000 0.212 411 K C 2.543 179.151 176.600 0.013 0.000 1.050 411 K CA 1.380 57.675 56.287 0.013 0.000 0.929 411 K CB -0.349 32.160 32.500 0.014 0.000 0.714 411 K HN 0.349 nan 8.250 nan 0.000 0.443 412 L N 0.782 122.015 121.223 0.016 0.000 2.046 412 L HA -0.194 4.151 4.340 0.009 0.000 0.208 412 L C 2.451 179.330 176.870 0.015 0.000 1.077 412 L CA 0.966 55.815 54.840 0.016 0.000 0.747 412 L CB -0.430 41.641 42.059 0.019 0.000 0.896 412 L HN 0.258 nan 8.230 nan 0.000 0.432 413 L N -0.341 120.893 121.223 0.017 0.000 2.017 413 L HA -0.223 4.122 4.340 0.009 0.000 0.208 413 L C 2.951 179.827 176.870 0.010 0.000 1.073 413 L CA 1.272 56.121 54.840 0.015 0.000 0.745 413 L CB -0.781 41.290 42.059 0.019 0.000 0.894 413 L HN 0.263 nan 8.230 nan 0.000 0.432 414 A N 0.306 123.131 122.820 0.009 0.000 1.873 414 A HA -0.218 4.107 4.320 0.009 0.000 0.218 414 A C 2.181 179.768 177.584 0.005 0.000 1.193 414 A CA 1.696 53.737 52.037 0.006 0.000 0.629 414 A CB -0.920 18.084 19.000 0.006 0.000 0.826 414 A HN 0.391 nan 8.150 nan 0.000 0.447 415 L N -1.451 119.776 121.223 0.006 0.000 2.353 415 L HA -0.080 4.266 4.340 0.009 0.000 0.220 415 L C 2.560 179.432 176.870 0.004 0.000 1.133 415 L CA 1.169 56.013 54.840 0.005 0.000 0.798 415 L CB -0.277 41.786 42.059 0.007 0.000 0.922 415 L HN 0.387 nan 8.230 nan 0.000 0.445 416 R N -0.130 120.373 120.500 0.005 0.000 2.317 416 R HA 0.069 4.415 4.340 0.009 0.000 0.208 416 R C 1.200 177.500 176.300 -0.001 0.000 0.914 416 R CA 0.688 56.789 56.100 0.003 0.000 1.060 416 R CB 0.275 30.577 30.300 0.004 0.000 1.015 416 R HN 0.307 nan 8.270 nan 0.000 0.498 417 G N 0.194 108.994 108.800 -0.001 0.000 2.159 417 G HA2 -0.262 3.703 3.960 0.009 0.000 0.227 417 G HA3 -0.262 3.703 3.960 0.009 0.000 0.227 417 G C -0.324 174.573 174.900 -0.005 0.000 0.986 417 G CA -0.193 44.905 45.100 -0.003 0.000 0.651 417 G HN 0.394 nan 8.290 nan 0.000 0.523 418 Q N 0.553 120.351 119.800 -0.003 0.000 2.241 418 Q HA 0.481 4.826 4.340 0.009 0.000 0.254 418 Q C -0.135 175.864 176.000 -0.003 0.000 0.917 418 Q CA -0.428 55.372 55.803 -0.005 0.000 0.919 418 Q CB 1.214 29.950 28.738 -0.003 0.000 1.237 418 Q HN 0.580 nan 8.270 nan 0.000 0.434 419 E N 1.269 121.466 120.200 -0.005 0.000 2.313 419 E HA 0.371 4.727 4.350 0.009 0.000 0.276 419 E C -0.982 175.617 176.600 -0.002 0.000 1.031 419 E CA -0.322 56.075 56.400 -0.004 0.000 0.857 419 E CB 1.620 31.315 29.700 -0.007 0.000 1.040 419 E HN 0.179 nan 8.360 nan 0.000 0.408 420 V N 1.765 121.679 119.914 -0.000 0.000 3.087 420 V HA 0.648 4.773 4.120 0.009 0.000 0.306 420 V C -1.382 174.712 176.094 0.001 0.000 1.187 420 V CA -0.284 62.017 62.300 0.003 0.000 0.999 420 V CB 2.383 34.212 31.823 0.009 0.000 1.049 420 V HN 0.889 nan 8.190 nan 0.000 0.431 421 S N 4.959 120.659 115.700 0.001 0.000 2.625 421 S HA 0.786 5.261 4.470 0.009 0.000 0.271 421 S C -1.786 172.815 174.600 0.002 0.000 1.161 421 S CA -0.790 57.410 58.200 -0.001 0.000 0.820 421 S CB 1.722 64.917 63.200 -0.008 0.000 1.137 421 S HN 0.790 nan 8.310 nan 0.000 0.470 422 L N 2.322 123.547 121.223 0.003 0.000 2.283 422 L HA 0.679 5.024 4.340 0.009 0.000 0.281 422 L C 0.820 177.693 176.870 0.005 0.000 1.033 422 L CA -0.139 54.707 54.840 0.009 0.000 0.848 422 L CB 0.462 42.530 42.059 0.015 0.000 1.226 422 L HN 1.037 nan 8.230 nan 0.000 0.429 423 A N 4.952 127.769 122.820 -0.005 0.000 2.616 423 A HA 0.078 4.404 4.320 0.009 0.000 0.234 423 A C 0.525 178.112 177.584 0.005 0.000 1.024 423 A CA 0.550 52.574 52.037 -0.023 0.000 0.758 423 A CB -0.090 18.883 19.000 -0.045 0.000 0.939 423 A HN 0.705 nan 8.150 nan 0.000 0.510 424 R N 0.819 121.312 120.500 -0.012 0.000 2.732 424 R HA 0.445 4.791 4.340 0.009 0.000 0.278 424 R C -0.481 175.833 176.300 0.023 0.000 0.976 424 R CA -0.685 55.433 56.100 0.030 0.000 0.963 424 R CB 1.282 31.594 30.300 0.020 0.000 1.150 424 R HN 0.693 nan 8.270 nan 0.000 0.478 425 F N 1.092 121.023 119.950 -0.031 0.000 2.572 425 F HA 0.113 4.645 4.527 0.008 0.000 0.370 425 F C 1.452 177.180 175.800 -0.121 0.000 1.103 425 F CA 2.030 60.003 58.000 -0.045 0.000 1.286 425 F CB 0.630 39.646 39.000 0.027 0.000 1.105 425 F HN 0.872 nan 8.300 nan 0.000 0.583 426 G N 3.558 111.740 108.800 -1.030 0.000 2.322 426 G HA2 -0.359 3.607 3.960 0.009 0.000 0.264 426 G HA3 -0.359 3.607 3.960 0.009 0.000 0.264 426 G C 0.228 174.870 174.900 -0.430 0.000 0.992 426 G CA 0.531 45.165 45.100 -0.776 0.000 0.624 426 G HN 0.676 nan 8.290 nan 0.000 0.543 427 E N 1.439 121.470 120.200 -0.282 0.000 1.996 427 E HA 0.482 4.837 4.350 0.009 0.000 0.280 427 E C 1.106 177.590 176.600 -0.194 0.000 1.092 427 E CA -0.026 56.272 56.400 -0.169 0.000 0.862 427 E CB 0.649 30.299 29.700 -0.084 0.000 1.066 427 E HN 0.441 nan 8.360 nan 0.000 0.396 428 G N 1.835 110.527 108.800 -0.180 0.000 2.636 428 G HA2 0.294 4.259 3.960 0.009 0.000 0.246 428 G HA3 0.294 4.259 3.960 0.009 0.000 0.246 428 G C -0.313 174.524 174.900 -0.105 0.000 1.216 428 G CA -0.315 44.692 45.100 -0.154 0.000 0.854 428 G HN 0.336 nan 8.290 nan 0.000 0.572 429 V N 2.071 121.928 119.914 -0.095 0.000 2.789 429 V HA 0.449 4.574 4.120 0.009 0.000 0.311 429 V C -2.122 173.940 176.094 -0.054 0.000 1.073 429 V CA -1.469 60.790 62.300 -0.069 0.000 0.921 429 V CB 2.577 34.357 31.823 -0.072 0.000 1.009 429 V HN 0.728 nan 8.190 nan 0.000 0.426 430 P HA 0.263 nan 4.420 nan 0.000 0.282 430 P C -0.280 177.005 177.300 -0.026 0.000 1.274 430 P CA 0.129 63.212 63.100 -0.030 0.000 0.770 430 P CB 1.486 33.172 31.700 -0.024 0.000 0.867 431 V N 0.000 119.901 119.914 -0.022 0.000 2.409 431 V HA 0.000 4.125 4.120 0.009 0.000 0.244 431 V CA 0.000 62.291 62.300 -0.015 0.000 1.235 431 V CB 0.000 31.818 31.823 -0.008 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556