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 3ie2_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 VHTLGGFSGH AGQDELLDWL QGEPRVVLVV 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 0.000 176.296 176.300 -0.006 0.000 1.140 1 M CA 0.000 55.300 55.300 -0.001 0.000 0.988 1 M CB 0.000 32.604 32.600 0.006 0.000 1.302 2 R N 3.158 123.651 120.500 -0.013 0.000 2.629 2 R HA 0.748 5.090 4.340 0.004 0.000 0.266 2 R C -2.248 174.030 176.300 -0.036 0.000 1.051 2 R CA -1.000 55.085 56.100 -0.024 0.000 0.895 2 R CB 1.796 32.080 30.300 -0.028 0.000 1.246 2 R HN 0.577 nan 8.270 nan 0.000 0.459 3 I N 1.805 122.342 120.570 -0.054 0.000 2.441 3 I HA 0.395 4.567 4.170 0.004 0.000 0.295 3 I C -1.127 174.919 176.117 -0.119 0.000 0.994 3 I CA -0.916 60.339 61.300 -0.076 0.000 1.144 3 I CB 2.225 40.175 38.000 -0.084 0.000 1.314 3 I HN 0.511 nan 8.210 nan 0.000 0.445 4 V N 9.276 129.108 119.914 -0.136 0.000 2.350 4 V HA 0.430 4.553 4.120 0.004 0.000 0.285 4 V C -2.322 173.528 176.094 -0.407 0.000 1.014 4 V CA -1.741 60.387 62.300 -0.287 0.000 0.831 4 V CB 1.179 32.841 31.823 -0.269 0.000 1.000 4 V HN 0.638 nan 8.190 nan 0.000 0.433 5 P HA 0.212 nan 4.420 nan 0.000 0.268 5 P C -0.554 176.418 177.300 -0.548 0.000 1.204 5 P CA 0.272 63.296 63.100 -0.127 0.000 0.768 5 P CB 0.204 31.851 31.700 -0.089 0.000 0.842 6 F N 2.085 122.107 119.950 0.120 0.000 2.538 6 F HA 0.505 5.035 4.527 0.005 0.000 0.390 6 F C 0.669 176.787 175.800 0.530 0.000 1.448 6 F CA 0.053 58.179 58.000 0.209 0.000 1.115 6 F CB 0.756 39.807 39.000 0.086 0.000 1.268 6 F HN 0.479 nan 8.300 nan 0.000 0.515 7 G N -0.728 108.443 108.800 0.619 0.000 2.350 7 G HA2 0.535 4.497 3.960 0.004 0.000 0.305 7 G HA3 0.535 4.497 3.960 0.004 0.000 0.305 7 G C -0.134 174.962 174.900 0.326 0.000 1.479 7 G CA -0.128 45.244 45.100 0.453 0.000 0.949 7 G HN 1.024 nan 8.290 nan 0.000 0.651 8 A N -1.876 121.103 122.820 0.266 0.000 2.687 8 A HA 0.333 4.656 4.320 0.004 0.000 0.299 8 A C 0.915 178.619 177.584 0.201 0.000 1.497 8 A CA 1.998 54.150 52.037 0.192 0.000 0.751 8 A CB -1.452 17.642 19.000 0.157 0.000 1.048 8 A HN 2.616 nan 8.150 nan 0.000 0.464 9 A N -0.272 122.665 122.820 0.195 0.000 2.285 9 A HA 0.747 5.069 4.320 0.004 0.000 0.310 9 A C 0.929 178.564 177.584 0.085 0.000 1.266 9 A CA 0.163 52.284 52.037 0.140 0.000 0.832 9 A CB 0.436 19.546 19.000 0.185 0.000 1.163 9 A HN 1.545 nan 8.150 nan 0.000 0.499 10 R N -0.197 120.332 120.500 0.049 0.000 3.875 10 R HA -0.217 4.126 4.340 0.004 0.000 0.321 10 R C 0.147 176.456 176.300 0.014 0.000 1.196 10 R CA 2.085 58.197 56.100 0.021 0.000 0.868 10 R CB -2.047 28.262 30.300 0.015 0.000 1.333 10 R HN 1.015 nan 8.270 nan 0.000 0.522 11 E N -2.448 117.771 120.200 0.032 0.000 2.456 11 E HA 0.483 4.835 4.350 0.004 0.000 0.278 11 E C 0.359 176.974 176.600 0.025 0.000 1.034 11 E CA -0.507 55.910 56.400 0.027 0.000 0.846 11 E CB 0.983 30.714 29.700 0.053 0.000 1.460 11 E HN -0.011 nan 8.360 nan 0.000 0.463 12 V N -2.690 117.232 119.914 0.012 0.000 3.212 12 V HA 0.163 4.285 4.120 0.004 0.000 0.244 12 V C 0.910 177.007 176.094 0.005 0.000 1.151 12 V CA 1.172 63.464 62.300 -0.013 0.000 1.119 12 V CB -0.006 31.772 31.823 -0.075 0.000 0.838 12 V HN 0.775 nan 8.190 nan 0.000 0.470 13 T N -2.297 112.284 114.554 0.045 0.000 2.881 13 T HA 0.638 4.990 4.350 0.004 0.000 0.278 13 T C 1.156 175.825 174.700 -0.051 0.000 0.982 13 T CA 0.452 62.556 62.100 0.006 0.000 0.989 13 T CB 0.997 69.909 68.868 0.075 0.000 1.058 13 T HN 1.763 nan 8.240 nan 0.000 0.529 14 G N 0.291 108.860 108.800 -0.385 0.000 2.175 14 G HA2 -0.251 3.712 3.960 0.004 0.000 0.244 14 G HA3 -0.251 3.712 3.960 0.004 0.000 0.244 14 G C 0.315 174.903 174.900 -0.519 0.000 0.982 14 G CA 0.013 44.574 45.100 -0.898 0.000 0.641 14 G HN 1.094 nan 8.290 nan 0.000 0.527 15 S N 0.615 116.073 115.700 -0.405 0.000 2.931 15 S HA 0.391 4.864 4.470 0.004 0.000 0.342 15 S C 0.568 174.922 174.600 -0.410 0.000 1.220 15 S CA 1.347 59.320 58.200 -0.378 0.000 1.045 15 S CB 0.276 63.174 63.200 -0.504 0.000 0.758 15 S HN 2.042 nan 8.310 nan 0.000 0.508 16 A N 5.176 127.578 122.820 -0.696 0.000 2.498 16 A HA 0.482 4.805 4.320 0.004 0.000 0.305 16 A C -1.293 175.875 177.584 -0.693 0.000 1.031 16 A CA -0.789 50.958 52.037 -0.483 0.000 0.998 16 A CB 0.810 19.755 19.000 -0.093 0.000 1.429 16 A HN 0.792 nan 8.150 nan 0.000 0.387 17 H N 2.628 121.621 119.070 -0.128 0.000 2.823 17 H HA 0.405 4.963 4.556 0.003 0.000 0.332 17 H C -1.002 174.209 175.328 -0.196 0.000 0.980 17 H CA -0.775 55.169 56.048 -0.172 0.000 1.286 17 H CB 1.801 31.369 29.762 -0.322 0.000 1.541 17 H HN 0.551 nan 8.280 nan 0.000 0.521 18 L N 4.202 125.394 121.223 -0.052 0.000 2.361 18 L HA 0.118 4.460 4.340 0.004 0.000 0.278 18 L C -0.499 176.321 176.870 -0.084 0.000 1.113 18 L CA -0.415 54.334 54.840 -0.152 0.000 0.849 18 L CB 0.145 42.085 42.059 -0.198 0.000 1.155 18 L HN 0.449 nan 8.230 nan 0.000 0.452 19 L N 6.917 128.091 121.223 -0.081 0.000 2.257 19 L HA 0.476 4.818 4.340 0.004 0.000 0.290 19 L C -1.115 175.735 176.870 -0.034 0.000 1.044 19 L CA 0.001 54.814 54.840 -0.046 0.000 0.810 19 L CB 0.675 42.718 42.059 -0.026 0.000 1.193 19 L HN 0.510 nan 8.230 nan 0.000 0.425 20 L N 6.447 127.655 121.223 -0.024 0.000 2.294 20 L HA 0.895 5.238 4.340 0.004 0.000 0.283 20 L C -0.243 176.623 176.870 -0.006 0.000 1.015 20 L CA -0.439 54.393 54.840 -0.013 0.000 0.831 20 L CB 1.102 43.157 42.059 -0.007 0.000 1.217 20 L HN 0.825 nan 8.230 nan 0.000 0.420 21 A N 1.819 124.638 122.820 -0.002 0.000 2.577 21 A HA 0.642 4.965 4.320 0.004 0.000 0.297 21 A C 0.301 177.886 177.584 0.003 0.000 1.060 21 A CA 0.015 52.053 52.037 0.001 0.000 0.697 21 A CB 1.468 20.471 19.000 0.005 0.000 1.281 21 A HN 0.927 nan 8.150 nan 0.000 0.402 22 G N 0.544 109.345 108.800 0.002 0.000 2.338 22 G HA2 0.188 4.150 3.960 0.004 0.000 0.296 22 G HA3 0.188 4.150 3.960 0.004 0.000 0.296 22 G C 1.836 176.738 174.900 0.002 0.000 1.040 22 G CA 1.522 46.623 45.100 0.001 0.000 1.004 22 G HN 2.935 nan 8.290 nan 0.000 0.509 23 G N -1.509 107.293 108.800 0.003 0.000 2.238 23 G HA2 -0.365 3.598 3.960 0.004 0.000 0.270 23 G HA3 -0.365 3.598 3.960 0.004 0.000 0.270 23 G C 0.813 175.717 174.900 0.007 0.000 0.977 23 G CA 1.414 46.517 45.100 0.005 0.000 0.639 23 G HN 0.948 nan 8.290 nan 0.000 0.544 24 R N -0.133 120.371 120.500 0.006 0.000 2.573 24 R HA 0.683 5.025 4.340 0.004 0.000 0.272 24 R C 0.317 176.621 176.300 0.006 0.000 1.009 24 R CA -0.640 55.465 56.100 0.009 0.000 1.059 24 R CB 0.746 31.050 30.300 0.008 0.000 1.112 24 R HN 0.377 nan 8.270 nan 0.000 0.517 25 R N 0.718 121.224 120.500 0.010 0.000 2.467 25 R HA 0.349 4.691 4.340 0.004 0.000 0.299 25 R C -0.887 175.406 176.300 -0.012 0.000 1.120 25 R CA -0.548 55.548 56.100 -0.006 0.000 0.940 25 R CB 1.667 31.967 30.300 -0.000 0.000 1.161 25 R HN 0.218 nan 8.270 nan 0.000 0.506 26 V N 4.052 123.950 119.914 -0.027 0.000 2.427 26 V HA 0.331 4.454 4.120 0.004 0.000 0.286 26 V C 0.273 176.320 176.094 -0.078 0.000 1.034 26 V CA -0.808 61.475 62.300 -0.027 0.000 0.893 26 V CB 1.885 33.702 31.823 -0.011 0.000 0.982 26 V HN 0.605 nan 8.190 nan 0.000 0.452 27 L N 5.396 126.560 121.223 -0.099 0.000 2.264 27 L HA 0.425 4.768 4.340 0.004 0.000 0.289 27 L C -1.094 175.731 176.870 -0.074 0.000 1.044 27 L CA -0.725 54.016 54.840 -0.164 0.000 0.807 27 L CB 1.325 43.239 42.059 -0.242 0.000 1.192 27 L HN 0.478 nan 8.230 nan 0.000 0.425 28 L N 5.293 126.466 121.223 -0.083 0.000 2.270 28 L HA 0.412 4.754 4.340 0.004 0.000 0.286 28 L C -0.256 176.613 176.870 -0.003 0.000 1.059 28 L CA 0.132 54.971 54.840 -0.002 0.000 0.839 28 L CB 0.074 42.050 42.059 -0.137 0.000 1.221 28 L HN 0.596 nan 8.230 nan 0.000 0.431 29 D N 1.342 121.804 120.400 0.104 0.000 10.890 29 D HA -0.254 4.389 4.640 0.004 0.000 0.359 29 D C -0.398 175.884 176.300 -0.030 0.000 3.118 29 D CA 0.479 54.531 54.000 0.086 0.000 2.613 29 D CB -0.160 40.748 40.800 0.181 0.000 1.178 29 D HN 0.690 nan 8.370 nan 0.000 0.941 30 C N 2.290 121.579 119.300 -0.019 0.000 3.166 30 C HA 0.582 5.044 4.460 0.004 0.000 0.277 30 C C 0.322 175.307 174.990 -0.009 0.000 0.984 30 C CA 0.486 59.506 59.018 0.002 0.000 1.142 30 C CB -0.525 27.231 27.740 0.027 0.000 1.721 30 C HN 0.699 nan 8.230 nan 0.000 0.628 31 G N 3.541 112.271 108.800 -0.118 0.000 2.434 31 G HA2 0.629 4.592 3.960 0.004 0.000 0.330 31 G HA3 0.629 4.592 3.960 0.004 0.000 0.330 31 G C -0.185 174.564 174.900 -0.251 0.000 1.155 31 G CA -0.714 44.298 45.100 -0.147 0.000 0.917 31 G HN 0.972 nan 8.290 nan 0.000 0.493 32 M N -0.077 119.442 119.600 -0.135 0.000 2.241 32 M HA 0.610 5.092 4.480 0.004 0.000 0.335 32 M C -1.134 175.011 176.300 -0.258 0.000 1.122 32 M CA -0.187 55.014 55.300 -0.164 0.000 1.164 32 M CB 0.654 33.332 32.600 0.129 0.000 1.459 32 M HN 0.192 nan 8.290 nan 0.000 0.461 33 F N 1.632 121.520 119.950 -0.103 0.000 2.399 33 F HA 0.403 4.932 4.527 0.003 0.000 0.342 33 F C 0.476 176.246 175.800 -0.050 0.000 1.106 33 F CA 0.094 58.040 58.000 -0.090 0.000 1.196 33 F CB 0.965 39.882 39.000 -0.139 0.000 1.163 33 F HN 0.629 nan 8.300 nan 0.000 0.547 34 Q N 0.678 120.574 119.800 0.161 0.000 2.528 34 Q HA 0.671 5.013 4.340 0.004 0.000 0.289 34 Q C 0.256 176.310 176.000 0.090 0.000 1.091 34 Q CA -0.700 55.168 55.803 0.108 0.000 0.797 34 Q CB 2.463 31.253 28.738 0.086 0.000 1.466 34 Q HN 0.883 nan 8.270 nan 0.000 0.436 35 G N 1.002 109.849 108.800 0.078 0.000 2.512 35 G HA2 -0.291 3.672 3.960 0.004 0.000 0.254 35 G HA3 -0.291 3.672 3.960 0.004 0.000 0.254 35 G C 0.408 175.334 174.900 0.043 0.000 1.199 35 G CA 0.101 45.239 45.100 0.064 0.000 0.941 35 G HN 0.514 nan 8.290 nan 0.000 0.569 36 K N 0.985 121.401 120.400 0.026 0.000 2.211 36 K HA -0.075 4.248 4.320 0.004 0.000 0.204 36 K C 2.012 178.598 176.600 -0.024 0.000 1.047 36 K CA 1.745 58.033 56.287 0.002 0.000 0.935 36 K CB -0.180 32.316 32.500 -0.006 0.000 0.728 36 K HN 0.571 nan 8.250 nan 0.000 0.452 37 E N 0.692 120.874 120.200 -0.030 0.000 2.502 37 E HA -0.090 4.263 4.350 0.004 0.000 0.194 37 E C 1.511 178.067 176.600 -0.073 0.000 1.062 37 E CA 0.094 56.433 56.400 -0.102 0.000 0.867 37 E CB 0.050 29.662 29.700 -0.148 0.000 0.888 37 E HN 0.420 nan 8.360 nan 0.000 0.510 38 E N 1.177 121.380 120.200 0.004 0.000 2.253 38 E HA -0.257 4.095 4.350 0.004 0.000 0.202 38 E C 1.694 178.279 176.600 -0.025 0.000 1.014 38 E CA 1.212 57.627 56.400 0.024 0.000 0.823 38 E CB 0.064 29.794 29.700 0.051 0.000 0.736 38 E HN 0.242 nan 8.360 nan 0.000 0.478 39 A N 0.855 123.657 122.820 -0.029 0.000 2.014 39 A HA -0.095 4.227 4.320 0.004 0.000 0.218 39 A C 1.904 179.446 177.584 -0.070 0.000 1.163 39 A CA 0.622 52.667 52.037 0.013 0.000 0.652 39 A CB -0.239 18.765 19.000 0.008 0.000 0.808 39 A HN 0.141 nan 8.150 nan 0.000 0.449 40 R N 0.241 120.624 120.500 -0.196 0.000 2.249 40 R HA -0.116 4.226 4.340 0.004 0.000 0.230 40 R C 1.191 177.363 176.300 -0.214 0.000 1.121 40 R CA 1.260 57.175 56.100 -0.309 0.000 0.997 40 R CB -0.729 29.112 30.300 -0.765 0.000 0.867 40 R HN 0.706 nan 8.270 nan 0.000 0.465 41 N N -0.139 118.394 118.700 -0.278 0.000 2.381 41 N HA -0.119 4.624 4.740 0.004 0.000 0.182 41 N C 1.276 176.368 175.510 -0.697 0.000 1.025 41 N CA 0.503 53.137 53.050 -0.693 0.000 0.888 41 N CB 0.006 37.704 38.487 -1.314 0.000 0.965 41 N HN 0.320 nan 8.380 nan 0.000 0.438 42 H N -0.130 118.774 119.070 -0.278 0.000 2.544 42 H HA 0.234 4.792 4.556 0.003 0.000 0.269 42 H C 0.926 176.173 175.328 -0.135 0.000 0.970 42 H CA 0.163 56.128 56.048 -0.138 0.000 1.219 42 H CB 0.123 29.846 29.762 -0.065 0.000 1.421 42 H HN 0.176 nan 8.280 nan 0.000 0.555 43 A N 2.654 125.430 122.820 -0.073 0.000 2.267 43 A HA 0.309 4.631 4.320 0.004 0.000 0.271 43 A C -1.818 175.690 177.584 -0.126 0.000 1.131 43 A CA -1.026 50.959 52.037 -0.086 0.000 0.818 43 A CB -0.217 18.710 19.000 -0.122 0.000 1.118 43 A HN 0.036 nan 8.150 nan 0.000 0.501 44 P HA 0.267 nan 4.420 nan 0.000 0.282 44 P C -0.017 177.257 177.300 -0.043 0.000 1.249 44 P CA -0.303 62.757 63.100 -0.066 0.000 0.806 44 P CB 0.554 32.258 31.700 0.005 0.000 0.984 45 F N 1.243 121.118 119.950 -0.125 0.000 2.202 45 F HA -0.041 4.488 4.527 0.005 0.000 0.301 45 F C 2.167 177.955 175.800 -0.020 0.000 1.082 45 F CA 2.621 60.511 58.000 -0.184 0.000 1.313 45 F CB -0.812 37.649 39.000 -0.898 0.000 1.024 45 F HN 0.648 nan 8.300 nan 0.000 0.495 46 G N -0.722 108.134 108.800 0.093 0.000 2.159 46 G HA2 -0.232 3.730 3.960 0.004 0.000 0.227 46 G HA3 -0.232 3.730 3.960 0.004 0.000 0.227 46 G C -0.006 174.890 174.900 -0.005 0.000 0.986 46 G CA -0.053 45.161 45.100 0.191 0.000 0.651 46 G HN 0.540 nan 8.290 nan 0.000 0.523 47 F N -1.145 118.636 119.950 -0.281 0.000 2.693 47 F HA 0.698 5.225 4.527 0.000 0.000 0.309 47 F C -0.947 174.750 175.800 -0.172 0.000 1.129 47 F CA -1.977 55.848 58.000 -0.292 0.000 0.948 47 F CB 0.746 39.405 39.000 -0.568 0.000 1.315 47 F HN 0.001 nan 8.300 nan 0.000 0.447 48 D N 4.056 124.378 120.400 -0.129 0.000 2.336 48 D HA 0.354 4.997 4.640 0.004 0.000 0.249 48 D C -1.476 174.717 176.300 -0.177 0.000 1.213 48 D CA -2.286 51.612 54.000 -0.170 0.000 0.870 48 D CB 1.303 42.075 40.800 -0.046 0.000 1.076 48 D HN 0.285 nan 8.370 nan 0.000 0.483 49 P HA -0.213 nan 4.420 nan 0.000 0.216 49 P C 0.855 178.135 177.300 -0.034 0.000 1.150 49 P CA 1.160 64.072 63.100 -0.312 0.000 0.837 49 P CB 0.244 31.673 31.700 -0.451 0.000 0.786 50 K N -0.299 120.078 120.400 -0.037 0.000 2.281 50 K HA -0.119 4.204 4.320 0.004 0.000 0.203 50 K C 1.299 177.915 176.600 0.027 0.000 1.046 50 K CA 0.859 57.144 56.287 -0.003 0.000 0.938 50 K CB -0.149 32.335 32.500 -0.027 0.000 0.737 50 K HN 0.165 nan 8.250 nan 0.000 0.458 51 E N 0.942 121.167 120.200 0.042 0.000 2.370 51 E HA 0.055 4.407 4.350 0.004 0.000 0.194 51 E C -0.654 175.996 176.600 0.083 0.000 1.057 51 E CA 0.051 56.482 56.400 0.052 0.000 1.011 51 E CB 0.338 30.064 29.700 0.043 0.000 1.132 51 E HN -0.058 nan 8.360 nan 0.000 0.450 52 V N 1.980 121.982 119.914 0.148 0.000 2.394 52 V HA 0.074 4.197 4.120 0.004 0.000 0.282 52 V C 0.916 177.154 176.094 0.239 0.000 1.031 52 V CA -0.465 61.935 62.300 0.166 0.000 0.881 52 V CB 1.710 33.581 31.823 0.081 0.000 0.982 52 V HN 0.035 nan 8.190 nan 0.000 0.451 53 D N 3.146 123.633 120.400 0.145 0.000 2.249 53 D HA 0.287 4.929 4.640 0.004 0.000 0.205 53 D C 0.612 177.027 176.300 0.192 0.000 0.962 53 D CA 1.133 55.208 54.000 0.125 0.000 0.860 53 D CB 0.624 41.466 40.800 0.069 0.000 0.955 53 D HN 0.671 nan 8.370 nan 0.000 0.505 54 A N -0.214 122.745 122.820 0.232 0.000 2.590 54 A HA 0.492 4.815 4.320 0.004 0.000 0.294 54 A C -1.792 175.899 177.584 0.179 0.000 1.046 54 A CA -0.662 51.550 52.037 0.293 0.000 0.684 54 A CB 1.491 20.656 19.000 0.276 0.000 1.279 54 A HN 0.018 nan 8.150 nan 0.000 0.415 55 V N 2.144 122.183 119.914 0.209 0.000 2.588 55 V HA 0.812 4.935 4.120 0.004 0.000 0.304 55 V C -1.568 174.651 176.094 0.208 0.000 1.042 55 V CA -0.643 61.711 62.300 0.089 0.000 0.877 55 V CB 1.247 33.018 31.823 -0.086 0.000 0.996 55 V HN 0.903 nan 8.190 nan 0.000 0.425 56 L N 6.610 127.940 121.223 0.178 0.000 2.334 56 L HA 0.690 5.033 4.340 0.004 0.000 0.275 56 L C -0.651 176.382 176.870 0.271 0.000 1.036 56 L CA -0.388 54.610 54.840 0.263 0.000 0.807 56 L CB 1.682 43.878 42.059 0.228 0.000 1.231 56 L HN 0.553 nan 8.230 nan 0.000 0.438 57 L N 0.972 122.391 121.223 0.327 0.000 2.381 57 L HA 0.429 4.771 4.340 0.004 0.000 0.274 57 L C 1.092 178.009 176.870 0.079 0.000 0.988 57 L CA -0.030 54.918 54.840 0.180 0.000 0.824 57 L CB 1.677 43.791 42.059 0.092 0.000 1.263 57 L HN 0.826 nan 8.230 nan 0.000 0.410 58 T N -0.926 113.653 114.554 0.042 0.000 2.851 58 T HA 0.069 4.422 4.350 0.004 0.000 0.262 58 T C 0.541 175.190 174.700 -0.086 0.000 1.043 58 T CA 1.134 63.186 62.100 -0.081 0.000 1.140 58 T CB -0.197 68.700 68.868 0.048 0.000 0.872 58 T HN 0.655 nan 8.240 nan 0.000 0.446 59 H N -2.014 116.941 119.070 -0.191 0.000 2.967 59 H HA 0.662 5.221 4.556 0.005 0.000 0.318 59 H C 0.418 175.646 175.328 -0.167 0.000 1.375 59 H CA -0.500 55.408 56.048 -0.233 0.000 1.132 59 H CB 1.138 30.750 29.762 -0.251 0.000 1.848 59 H HN 0.068 nan 8.280 nan 0.000 0.524 60 A N 0.131 122.866 122.820 -0.142 0.000 2.235 60 A HA 0.023 4.346 4.320 0.004 0.000 0.208 60 A C 0.423 177.965 177.584 -0.070 0.000 1.172 60 A CA 0.037 51.992 52.037 -0.137 0.000 0.786 60 A CB -1.286 17.636 19.000 -0.129 0.000 0.804 60 A HN 0.675 nan 8.150 nan 0.000 0.479 61 H N -1.292 117.789 119.070 0.018 0.000 2.948 61 H HA 0.062 4.621 4.556 0.004 0.000 0.351 61 H C 1.237 176.584 175.328 0.031 0.000 1.079 61 H CA -0.461 55.627 56.048 0.066 0.000 1.407 61 H CB 0.654 30.548 29.762 0.219 0.000 1.373 61 H HN 0.169 nan 8.280 nan 0.000 0.605 62 L N 2.175 123.519 121.223 0.201 0.000 2.079 62 L HA -0.210 4.133 4.340 0.004 0.000 0.210 62 L C 2.064 178.992 176.870 0.097 0.000 1.081 62 L CA 1.742 56.656 54.840 0.123 0.000 0.752 62 L CB -0.626 41.503 42.059 0.116 0.000 0.896 62 L HN 0.809 nan 8.230 nan 0.000 0.433 63 D N -2.579 117.898 120.400 0.129 0.000 2.390 63 D HA -0.194 4.448 4.640 0.004 0.000 0.235 63 D C 1.098 177.291 176.300 -0.179 0.000 1.040 63 D CA 0.990 54.998 54.000 0.014 0.000 0.923 63 D CB -0.311 40.522 40.800 0.055 0.000 0.886 63 D HN 0.562 nan 8.370 nan 0.000 0.532 64 H N -1.551 117.468 119.070 -0.086 0.000 3.680 64 H HA 0.221 4.779 4.556 0.004 0.000 0.260 64 H C 0.771 176.032 175.328 -0.113 0.000 1.183 64 H CA 0.056 56.022 56.048 -0.137 0.000 1.159 64 H CB 1.572 31.140 29.762 -0.324 0.000 1.567 64 H HN 0.044 nan 8.280 nan 0.000 0.648 65 V N -0.449 119.476 119.914 0.019 0.000 3.359 65 V HA 0.097 4.219 4.120 0.004 0.000 0.270 65 V C 2.283 178.380 176.094 0.004 0.000 1.583 65 V CA 0.941 63.242 62.300 0.002 0.000 1.019 65 V CB 1.056 32.866 31.823 -0.023 0.000 0.831 65 V HN 0.421 nan 8.190 nan 0.000 0.426 66 G N 0.640 109.459 108.800 0.031 0.000 2.485 66 G HA2 -0.235 3.727 3.960 0.004 0.000 0.221 66 G HA3 -0.235 3.727 3.960 0.004 0.000 0.221 66 G C 1.423 176.419 174.900 0.160 0.000 1.115 66 G CA 0.726 45.880 45.100 0.090 0.000 0.751 66 G HN 0.444 nan 8.290 nan 0.000 0.567 67 R N -0.742 119.842 120.500 0.141 0.000 2.427 67 R HA 0.301 4.644 4.340 0.004 0.000 0.262 67 R C 1.799 178.269 176.300 0.283 0.000 0.943 67 R CA -0.412 55.853 56.100 0.276 0.000 1.081 67 R CB 0.058 30.473 30.300 0.191 0.000 1.166 67 R HN 0.314 nan 8.270 nan 0.000 0.534 68 L N 2.414 123.706 121.223 0.115 0.000 2.027 68 L HA -0.017 4.325 4.340 0.004 0.000 0.206 68 L C -0.992 175.975 176.870 0.162 0.000 1.074 68 L CA 1.832 56.748 54.840 0.128 0.000 0.745 68 L CB -0.595 41.500 42.059 0.060 0.000 0.898 68 L HN 0.005 nan 8.230 nan 0.000 0.433 69 P HA -0.250 nan 4.420 nan 0.000 0.219 69 P C 1.249 178.591 177.300 0.071 0.000 1.146 69 P CA 1.628 64.599 63.100 -0.215 0.000 0.808 69 P CB -0.103 31.083 31.700 -0.856 0.000 0.779 70 K N -0.531 119.998 120.400 0.215 0.000 2.228 70 K HA -0.058 4.264 4.320 0.004 0.000 0.202 70 K C 2.091 178.954 176.600 0.440 0.000 1.051 70 K CA 0.282 56.822 56.287 0.421 0.000 0.960 70 K CB -0.459 32.389 32.500 0.581 0.000 0.743 70 K HN -0.055 nan 8.250 nan 0.000 0.458 71 L N 0.488 121.919 121.223 0.347 0.000 2.056 71 L HA -0.035 4.307 4.340 0.004 0.000 0.207 71 L C 1.596 178.468 176.870 0.003 0.000 1.078 71 L CA 1.626 56.457 54.840 -0.014 0.000 0.749 71 L CB -0.346 41.554 42.059 -0.265 0.000 0.901 71 L HN 0.116 nan 8.230 nan 0.000 0.433 72 F N -0.542 119.430 119.950 0.037 0.000 2.234 72 F HA -0.061 4.471 4.527 0.009 0.000 0.296 72 F C 2.654 178.476 175.800 0.038 0.000 1.089 72 F CA 1.230 59.247 58.000 0.028 0.000 1.343 72 F CB -0.657 38.311 39.000 -0.052 0.000 1.040 72 F HN 0.029 nan 8.300 nan 0.000 0.498 73 R N 1.197 121.853 120.500 0.261 0.000 2.185 73 R HA -0.190 4.152 4.340 0.004 0.000 0.247 73 R C 0.918 177.306 176.300 0.146 0.000 1.159 73 R CA 1.845 58.061 56.100 0.195 0.000 0.988 73 R CB -0.507 29.930 30.300 0.229 0.000 0.871 73 R HN 0.336 nan 8.270 nan 0.000 0.458 74 E N -1.762 118.516 120.200 0.131 0.000 2.496 74 E HA 0.218 4.571 4.350 0.004 0.000 0.200 74 E C 0.546 177.161 176.600 0.025 0.000 1.016 74 E CA 0.224 56.673 56.400 0.082 0.000 0.962 74 E CB 1.099 30.859 29.700 0.100 0.000 1.071 74 E HN 0.590 nan 8.360 nan 0.000 0.457 75 G N 1.412 110.222 108.800 0.017 0.000 2.659 75 G HA2 -0.317 3.645 3.960 0.004 0.000 0.202 75 G HA3 -0.317 3.645 3.960 0.004 0.000 0.202 75 G C 0.018 174.864 174.900 -0.091 0.000 1.186 75 G CA -0.296 44.789 45.100 -0.025 0.000 0.783 75 G HN 0.365 nan 8.290 nan 0.000 0.521 76 Y N 2.911 123.052 120.300 -0.265 0.000 2.993 76 Y HA 0.326 4.877 4.550 0.001 0.000 0.340 76 Y C 1.366 176.941 175.900 -0.543 0.000 1.273 76 Y CA 1.362 59.220 58.100 -0.403 0.000 1.545 76 Y CB 0.513 38.650 38.460 -0.539 0.000 1.275 76 Y HN 0.255 nan 8.280 nan 0.000 0.617 77 R N 3.959 123.731 120.500 -1.213 0.000 2.527 77 R HA 0.189 4.531 4.340 0.004 0.000 0.402 77 R C 0.397 176.287 176.300 -0.684 0.000 0.933 77 R CA 0.368 55.999 56.100 -0.783 0.000 1.171 77 R CB 0.369 30.522 30.300 -0.244 0.000 1.612 77 R HN 0.878 nan 8.270 nan 0.000 0.546 78 G N 2.428 110.295 108.800 -1.555 0.000 2.653 78 G HA2 0.264 4.226 3.960 0.004 0.000 0.265 78 G HA3 0.264 4.226 3.960 0.004 0.000 0.265 78 G C -2.315 172.618 174.900 0.056 0.000 1.237 78 G CA -0.608 44.156 45.100 -0.559 0.000 0.946 78 G HN -0.114 nan 8.290 nan 0.000 0.522 79 P HA 0.293 nan 4.420 nan 0.000 0.276 79 P C -0.810 176.595 177.300 0.176 0.000 1.244 79 P CA -0.304 62.860 63.100 0.108 0.000 0.801 79 P CB 1.623 33.273 31.700 -0.084 0.000 1.006 80 V N 2.730 122.653 119.914 0.014 0.000 2.398 80 V HA 0.221 4.343 4.120 0.004 0.000 0.282 80 V C -0.541 175.513 176.094 -0.067 0.000 1.014 80 V CA -0.583 61.778 62.300 0.102 0.000 0.838 80 V CB 0.064 32.018 31.823 0.218 0.000 1.018 80 V HN 0.366 nan 8.190 nan 0.000 0.432 81 Y N 2.747 123.106 120.300 0.100 0.000 2.309 81 Y HA 0.766 5.317 4.550 0.002 0.000 0.327 81 Y C 0.626 176.636 175.900 0.183 0.000 1.172 81 Y CA 0.032 58.175 58.100 0.071 0.000 1.280 81 Y CB 1.422 39.849 38.460 -0.054 0.000 1.234 81 Y HN 0.793 nan 8.280 nan 0.000 0.512 82 A N 0.443 123.464 122.820 0.335 0.000 2.540 82 A HA 0.632 4.954 4.320 0.004 0.000 0.291 82 A C -0.483 177.234 177.584 0.222 0.000 1.083 82 A CA -0.689 51.548 52.037 0.335 0.000 0.650 82 A CB 0.298 19.356 19.000 0.097 0.000 1.292 82 A HN 0.684 nan 8.150 nan 0.000 0.435 83 T N -1.291 113.249 114.554 -0.022 0.000 2.868 83 T HA 0.411 4.764 4.350 0.004 0.000 0.292 83 T C 1.098 175.722 174.700 -0.126 0.000 1.028 83 T CA 0.084 62.114 62.100 -0.117 0.000 1.059 83 T CB 0.941 69.579 68.868 -0.383 0.000 0.991 83 T HN 0.736 nan 8.240 nan 0.000 0.531 84 R N 1.497 121.981 120.500 -0.026 0.000 2.113 84 R HA -0.112 4.230 4.340 0.004 0.000 0.244 84 R C 2.654 178.844 176.300 -0.184 0.000 1.142 84 R CA 2.169 58.258 56.100 -0.019 0.000 0.953 84 R CB -1.342 29.041 30.300 0.137 0.000 0.860 84 R HN 0.899 nan 8.270 nan 0.000 0.438 85 A N -0.959 121.543 122.820 -0.530 0.000 1.859 85 A HA -0.216 4.106 4.320 0.004 0.000 0.217 85 A C 2.253 179.573 177.584 -0.439 0.000 1.198 85 A CA 2.387 53.986 52.037 -0.729 0.000 0.629 85 A CB -1.289 16.740 19.000 -1.619 0.000 0.830 85 A HN 0.483 nan 8.150 nan 0.000 0.446 86 T N -0.338 113.965 114.554 -0.418 0.000 2.720 86 T HA -0.137 4.215 4.350 0.004 0.000 0.268 86 T C 1.865 176.462 174.700 -0.172 0.000 1.037 86 T CA 1.544 63.483 62.100 -0.267 0.000 1.144 86 T CB -0.529 68.197 68.868 -0.237 0.000 0.864 86 T HN 0.162 nan 8.240 nan 0.000 0.444 87 V N 1.420 121.247 119.914 -0.145 0.000 2.220 87 V HA -0.158 3.964 4.120 0.004 0.000 0.246 87 V C 2.510 178.551 176.094 -0.088 0.000 1.049 87 V CA 1.715 63.960 62.300 -0.092 0.000 1.003 87 V CB -0.706 31.078 31.823 -0.066 0.000 0.634 87 V HN 0.412 nan 8.190 nan 0.000 0.444 88 L N -0.863 120.305 121.223 -0.092 0.000 2.079 88 L HA -0.209 4.133 4.340 0.004 0.000 0.210 88 L C 2.372 179.205 176.870 -0.062 0.000 1.081 88 L CA 1.436 56.237 54.840 -0.066 0.000 0.752 88 L CB -0.515 41.511 42.059 -0.054 0.000 0.896 88 L HN 0.299 nan 8.230 nan 0.000 0.433 89 L N -1.350 119.819 121.223 -0.091 0.000 2.093 89 L HA -0.221 4.121 4.340 0.004 0.000 0.208 89 L C 2.642 179.479 176.870 -0.055 0.000 1.085 89 L CA 1.145 55.943 54.840 -0.069 0.000 0.755 89 L CB -0.287 41.707 42.059 -0.110 0.000 0.904 89 L HN 0.327 nan 8.230 nan 0.000 0.435 90 M N -0.606 118.952 119.600 -0.071 0.000 2.149 90 M HA -0.272 4.210 4.480 0.004 0.000 0.261 90 M C 2.212 178.483 176.300 -0.048 0.000 1.064 90 M CA 1.742 57.006 55.300 -0.060 0.000 1.102 90 M CB -0.269 32.288 32.600 -0.072 0.000 1.369 90 M HN 0.267 nan 8.290 nan 0.000 0.408 91 E N 0.912 121.085 120.200 -0.046 0.000 2.038 91 E HA -0.219 4.133 4.350 0.004 0.000 0.195 91 E C 1.802 178.392 176.600 -0.017 0.000 1.000 91 E CA 1.510 57.888 56.400 -0.037 0.000 0.803 91 E CB -0.103 29.577 29.700 -0.033 0.000 0.750 91 E HN 0.500 nan 8.360 nan 0.000 0.448 92 I N 0.452 121.017 120.570 -0.008 0.000 2.163 92 I HA -0.279 3.893 4.170 0.004 0.000 0.243 92 I C 2.481 178.610 176.117 0.020 0.000 1.085 92 I CA 0.837 62.143 61.300 0.009 0.000 1.347 92 I CB -0.295 37.714 38.000 0.014 0.000 1.044 92 I HN 0.096 nan 8.210 nan 0.000 0.408 93 V N 0.638 120.562 119.914 0.017 0.000 2.255 93 V HA -0.291 3.831 4.120 0.004 0.000 0.247 93 V C 2.385 178.503 176.094 0.039 0.000 1.051 93 V CA 1.737 64.059 62.300 0.036 0.000 1.018 93 V CB -0.466 31.376 31.823 0.031 0.000 0.641 93 V HN 0.290 nan 8.190 nan 0.000 0.445 94 L N -0.310 120.919 121.223 0.010 0.000 2.109 94 L HA -0.096 4.246 4.340 0.004 0.000 0.207 94 L C 2.418 179.314 176.870 0.044 0.000 1.086 94 L CA 1.647 56.490 54.840 0.005 0.000 0.760 94 L CB -1.015 40.999 42.059 -0.076 0.000 0.910 94 L HN 0.406 nan 8.230 nan 0.000 0.437 95 E N -0.890 119.326 120.200 0.027 0.000 2.204 95 E HA -0.261 4.091 4.350 0.004 0.000 0.195 95 E C 1.580 178.212 176.600 0.053 0.000 0.990 95 E CA 1.256 57.679 56.400 0.039 0.000 0.821 95 E CB -0.021 29.692 29.700 0.021 0.000 0.750 95 E HN 0.571 nan 8.360 nan 0.000 0.477 96 D N 0.491 120.925 120.400 0.056 0.000 2.137 96 D HA -0.074 4.568 4.640 0.004 0.000 0.202 96 D C 2.000 178.346 176.300 0.076 0.000 0.970 96 D CA 1.241 55.278 54.000 0.062 0.000 0.837 96 D CB 0.046 40.885 40.800 0.065 0.000 0.981 96 D HN 0.098 nan 8.370 nan 0.000 0.475 97 A N 0.639 123.520 122.820 0.102 0.000 1.883 97 A HA -0.155 4.168 4.320 0.004 0.000 0.217 97 A C 2.374 180.024 177.584 0.110 0.000 1.186 97 A CA 1.168 53.287 52.037 0.137 0.000 0.624 97 A CB -1.068 18.055 19.000 0.206 0.000 0.822 97 A HN 0.419 nan 8.150 nan 0.000 0.444 98 L N -0.791 120.517 121.223 0.141 0.000 1.955 98 L HA -0.266 4.076 4.340 0.004 0.000 0.213 98 L C 2.722 179.578 176.870 -0.023 0.000 1.072 98 L CA 2.424 57.289 54.840 0.042 0.000 0.755 98 L CB -0.457 41.671 42.059 0.114 0.000 0.888 98 L HN 0.550 nan 8.230 nan 0.000 0.432 99 K N -0.354 120.055 120.400 0.015 0.000 2.020 99 K HA -0.172 4.150 4.320 0.004 0.000 0.212 99 K C 0.925 177.528 176.600 0.005 0.000 1.050 99 K CA 1.385 57.677 56.287 0.007 0.000 0.929 99 K CB -0.043 32.470 32.500 0.022 0.000 0.714 99 K HN 0.185 nan 8.250 nan 0.000 0.443 100 V N 2.070 121.998 119.914 0.023 0.000 2.443 100 V HA 0.194 4.316 4.120 0.004 0.000 0.326 100 V C -0.221 175.887 176.094 0.022 0.000 1.580 100 V CA 0.153 62.471 62.300 0.031 0.000 1.629 100 V CB -0.495 31.361 31.823 0.055 0.000 1.471 100 V HN 0.299 nan 8.190 nan 0.000 0.532 101 M N 2.432 122.024 119.600 -0.013 0.000 2.124 101 M HA 0.310 4.792 4.480 0.004 0.000 0.280 101 M C 0.965 177.246 176.300 -0.031 0.000 0.954 101 M CA -0.552 54.729 55.300 -0.031 0.000 0.958 101 M CB 1.478 34.003 32.600 -0.125 0.000 1.611 101 M HN 0.535 nan 8.290 nan 0.000 0.449 102 D N 3.211 123.616 120.400 0.009 0.000 2.212 102 D HA -0.241 4.402 4.640 0.004 0.000 0.197 102 D C 0.160 176.469 176.300 0.015 0.000 1.004 102 D CA 1.500 55.511 54.000 0.018 0.000 0.864 102 D CB -0.098 40.726 40.800 0.041 0.000 1.027 102 D HN 0.695 nan 8.370 nan 0.000 0.455 103 E N 2.034 122.267 120.200 0.055 0.000 2.063 103 E HA 0.266 4.618 4.350 0.004 0.000 0.265 103 E C -2.355 174.317 176.600 0.120 0.000 0.919 103 E CA -2.275 54.184 56.400 0.098 0.000 0.756 103 E CB 1.343 31.142 29.700 0.165 0.000 1.120 103 E HN 0.085 nan 8.360 nan 0.000 0.414 104 P HA -0.001 nan 4.420 nan 0.000 0.269 104 P C -0.322 176.987 177.300 0.015 0.000 1.215 104 P CA -0.033 62.934 63.100 -0.223 0.000 0.780 104 P CB 0.327 31.836 31.700 -0.318 0.000 0.898 105 F N -0.139 119.665 119.950 -0.244 0.000 2.781 105 F HA 0.481 5.009 4.527 0.003 0.000 0.322 105 F C -0.331 175.520 175.800 0.085 0.000 1.108 105 F CA -1.021 56.931 58.000 -0.080 0.000 1.179 105 F CB -0.033 38.743 39.000 -0.372 0.000 1.072 105 F HN 0.155 nan 8.300 nan 0.000 0.545 106 F N -0.758 119.013 119.950 -0.299 0.000 2.693 106 F HA 0.915 5.444 4.527 0.004 0.000 0.309 106 F C -0.355 175.346 175.800 -0.165 0.000 1.129 106 F CA -1.677 56.198 58.000 -0.207 0.000 0.948 106 F CB 0.926 39.736 39.000 -0.317 0.000 1.315 106 F HN 0.079 nan 8.300 nan 0.000 0.447 107 G N 0.161 109.080 108.800 0.200 0.000 2.644 107 G HA2 0.617 4.580 3.960 0.004 0.000 0.307 107 G HA3 0.617 4.580 3.960 0.004 0.000 0.307 107 G C -2.420 172.584 174.900 0.174 0.000 1.250 107 G CA -2.098 43.059 45.100 0.095 0.000 0.996 107 G HN 0.459 nan 8.290 nan 0.000 0.489 108 P HA -0.175 nan 4.420 nan 0.000 0.217 108 P C 1.420 178.748 177.300 0.047 0.000 1.148 108 P CA 1.518 64.660 63.100 0.070 0.000 0.828 108 P CB 0.179 31.899 31.700 0.033 0.000 0.783 109 E N 0.742 120.970 120.200 0.047 0.000 2.110 109 E HA -0.205 4.147 4.350 0.004 0.000 0.193 109 E C 1.361 177.976 176.600 0.025 0.000 0.988 109 E CA 1.259 57.679 56.400 0.034 0.000 0.804 109 E CB -1.191 28.535 29.700 0.042 0.000 0.745 109 E HN 0.317 nan 8.360 nan 0.000 0.458 110 D N 1.140 121.570 120.400 0.051 0.000 2.224 110 D HA -0.050 4.592 4.640 0.004 0.000 0.205 110 D C 2.245 178.474 176.300 -0.119 0.000 0.965 110 D CA 0.775 54.786 54.000 0.018 0.000 0.852 110 D CB 0.149 41.007 40.800 0.097 0.000 0.947 110 D HN 0.106 nan 8.370 nan 0.000 0.494 111 V N 2.332 122.191 119.914 -0.091 0.000 2.229 111 V HA -0.264 3.858 4.120 0.004 0.000 0.243 111 V C 2.637 178.625 176.094 -0.177 0.000 1.042 111 V CA 2.269 64.471 62.300 -0.163 0.000 1.000 111 V CB -0.717 31.069 31.823 -0.062 0.000 0.637 111 V HN 0.293 nan 8.190 nan 0.000 0.446 112 E N 0.543 120.680 120.200 -0.105 0.000 2.153 112 E HA -0.306 4.046 4.350 0.004 0.000 0.194 112 E C 1.972 178.495 176.600 -0.128 0.000 0.988 112 E CA 1.593 57.935 56.400 -0.096 0.000 0.811 112 E CB -0.377 29.296 29.700 -0.046 0.000 0.746 112 E HN 0.585 nan 8.360 nan 0.000 0.466 113 E N 1.432 121.544 120.200 -0.147 0.000 2.085 113 E HA -0.181 4.171 4.350 0.004 0.000 0.194 113 E C 1.937 178.224 176.600 -0.521 0.000 0.994 113 E CA 1.828 58.132 56.400 -0.161 0.000 0.801 113 E CB -0.398 29.248 29.700 -0.090 0.000 0.743 113 E HN 0.405 nan 8.360 nan 0.000 0.453 114 A N 0.265 122.582 122.820 -0.839 0.000 1.854 114 A HA -0.073 4.250 4.320 0.004 0.000 0.214 114 A C 2.327 179.569 177.584 -0.570 0.000 1.192 114 A CA 1.350 52.585 52.037 -1.337 0.000 0.611 114 A CB -0.836 17.621 19.000 -0.905 0.000 0.832 114 A HN 0.312 nan 8.150 nan 0.000 0.442 115 L N -0.276 120.755 121.223 -0.319 0.000 2.129 115 L HA -0.177 4.166 4.340 0.004 0.000 0.212 115 L C 2.697 179.507 176.870 -0.100 0.000 1.087 115 L CA 1.075 55.816 54.840 -0.166 0.000 0.757 115 L CB -0.821 41.165 42.059 -0.122 0.000 0.896 115 L HN 0.502 nan 8.230 nan 0.000 0.434 116 G N -1.390 107.367 108.800 -0.072 0.000 2.470 116 G HA2 -0.228 3.734 3.960 0.004 0.000 0.220 116 G HA3 -0.228 3.734 3.960 0.004 0.000 0.220 116 G C 1.005 175.911 174.900 0.011 0.000 1.121 116 G CA 0.484 45.582 45.100 -0.003 0.000 0.766 116 G HN 0.441 nan 8.290 nan 0.000 0.553 117 H N -0.652 118.367 119.070 -0.086 0.000 2.551 117 H HA 0.350 4.908 4.556 0.003 0.000 0.271 117 H C 0.763 176.071 175.328 -0.033 0.000 0.984 117 H CA -0.523 55.537 56.048 0.020 0.000 1.164 117 H CB 0.074 30.005 29.762 0.282 0.000 1.437 117 H HN 0.159 nan 8.280 nan 0.000 0.550 118 L N 1.786 123.024 121.223 0.025 0.000 2.455 118 L HA 0.167 4.509 4.340 0.004 0.000 0.272 118 L C 0.327 177.134 176.870 -0.105 0.000 1.174 118 L CA 0.418 55.236 54.840 -0.037 0.000 0.869 118 L CB 0.469 42.504 42.059 -0.041 0.000 1.130 118 L HN 0.117 nan 8.230 nan 0.000 0.474 119 R N 4.697 125.081 120.500 -0.193 0.000 2.532 119 R HA 0.386 4.728 4.340 0.004 0.000 0.297 119 R C -2.479 173.767 176.300 -0.090 0.000 0.984 119 R CA -1.935 54.040 56.100 -0.207 0.000 0.884 119 R CB 2.081 32.139 30.300 -0.404 0.000 1.182 119 R HN 0.345 nan 8.270 nan 0.000 0.442 120 P HA -0.042 nan 4.420 nan 0.000 0.266 120 P C -0.806 176.562 177.300 0.114 0.000 1.186 120 P CA -0.068 63.062 63.100 0.049 0.000 0.767 120 P CB 0.803 32.523 31.700 0.032 0.000 0.820 121 L N 2.077 123.380 121.223 0.134 0.000 2.710 121 L HA 0.342 4.684 4.340 0.004 0.000 0.262 121 L C -0.938 176.014 176.870 0.137 0.000 0.940 121 L CA -0.185 54.715 54.840 0.099 0.000 0.944 121 L CB 1.709 43.770 42.059 0.003 0.000 1.348 121 L HN 0.225 nan 8.230 nan 0.000 0.425 122 E N 3.193 123.416 120.200 0.038 0.000 2.221 122 E HA 0.352 4.704 4.350 0.004 0.000 0.268 122 E C -1.059 175.512 176.600 -0.049 0.000 0.933 122 E CA -0.763 55.621 56.400 -0.028 0.000 0.809 122 E CB 1.070 30.779 29.700 0.014 0.000 1.190 122 E HN 0.410 nan 8.360 nan 0.000 0.406 123 Y N 0.474 120.830 120.300 0.094 0.000 3.032 123 Y HA 0.027 4.579 4.550 0.005 0.000 0.344 123 Y C 1.811 177.669 175.900 -0.069 0.000 1.273 123 Y CA 1.826 59.924 58.100 -0.004 0.000 1.588 123 Y CB -0.297 38.137 38.460 -0.043 0.000 1.209 123 Y HN 0.847 nan 8.280 nan 0.000 0.597 124 G N 1.710 110.490 108.800 -0.034 0.000 2.155 124 G HA2 -0.309 3.653 3.960 0.004 0.000 0.257 124 G HA3 -0.309 3.653 3.960 0.004 0.000 0.257 124 G C -0.035 174.759 174.900 -0.176 0.000 0.983 124 G CA 0.111 45.138 45.100 -0.123 0.000 0.676 124 G HN 0.615 nan 8.290 nan 0.000 0.528 125 E N -0.809 119.256 120.200 -0.225 0.000 2.197 125 E HA 0.478 4.830 4.350 0.004 0.000 0.281 125 E C -0.535 175.887 176.600 -0.297 0.000 0.995 125 E CA -0.948 55.365 56.400 -0.144 0.000 0.808 125 E CB 0.705 30.354 29.700 -0.085 0.000 1.093 125 E HN 0.321 nan 8.360 nan 0.000 0.394 126 W N 4.030 125.282 121.300 -0.080 0.000 2.433 126 W HA 0.321 4.983 4.660 0.003 0.000 0.315 126 W C -0.472 175.961 176.519 -0.143 0.000 1.087 126 W CA -0.569 56.712 57.345 -0.108 0.000 1.205 126 W CB 0.737 30.156 29.460 -0.068 0.000 1.288 126 W HN 0.293 nan 8.180 nan 0.000 0.504 127 L N 4.564 125.805 121.223 0.030 0.000 2.344 127 L HA 0.636 4.978 4.340 0.004 0.000 0.272 127 L C -0.480 176.378 176.870 -0.020 0.000 1.035 127 L CA -1.094 53.676 54.840 -0.116 0.000 0.807 127 L CB 0.992 42.811 42.059 -0.400 0.000 1.237 127 L HN 0.326 nan 8.230 nan 0.000 0.442 128 R N 5.451 125.920 120.500 -0.053 0.000 2.532 128 R HA 0.602 4.944 4.340 0.004 0.000 0.297 128 R C -1.729 174.550 176.300 -0.034 0.000 0.984 128 R CA -0.619 55.468 56.100 -0.022 0.000 0.884 128 R CB 1.660 31.955 30.300 -0.008 0.000 1.182 128 R HN 0.620 nan 8.270 nan 0.000 0.442 129 L N 2.320 123.529 121.223 -0.024 0.000 2.518 129 L HA 0.366 4.709 4.340 0.004 0.000 0.262 129 L C 0.786 177.653 176.870 -0.006 0.000 0.982 129 L CA -0.427 54.405 54.840 -0.014 0.000 0.873 129 L CB 1.797 43.847 42.059 -0.016 0.000 1.198 129 L HN 0.975 nan 8.230 nan 0.000 0.427 130 G N 2.642 111.439 108.800 -0.005 0.000 2.550 130 G HA2 -0.341 3.621 3.960 0.004 0.000 0.277 130 G HA3 -0.341 3.621 3.960 0.004 0.000 0.277 130 G C 0.732 175.627 174.900 -0.009 0.000 1.190 130 G CA 0.493 45.590 45.100 -0.005 0.000 0.971 130 G HN 0.829 nan 8.290 nan 0.000 0.559 131 A N -0.825 121.990 122.820 -0.009 0.000 2.238 131 A HA 0.566 4.888 4.320 0.004 0.000 0.208 131 A C 1.156 178.734 177.584 -0.009 0.000 1.177 131 A CA 1.441 53.470 52.037 -0.013 0.000 0.804 131 A CB -0.050 18.943 19.000 -0.012 0.000 0.823 131 A HN 1.466 nan 8.150 nan 0.000 0.482 132 L N 1.491 122.714 121.223 -0.000 0.000 2.313 132 L HA 0.369 4.711 4.340 0.004 0.000 0.282 132 L C -0.429 176.457 176.870 0.026 0.000 1.092 132 L CA 0.182 55.030 54.840 0.013 0.000 0.831 132 L CB 0.765 42.830 42.059 0.010 0.000 1.159 132 L HN 0.092 nan 8.230 nan 0.000 0.442 133 S N 6.520 122.260 115.700 0.065 0.000 2.498 133 S HA 0.700 5.173 4.470 0.004 0.000 0.317 133 S C -0.479 174.294 174.600 0.288 0.000 1.090 133 S CA -0.626 57.664 58.200 0.151 0.000 1.089 133 S CB 0.921 64.160 63.200 0.065 0.000 0.997 133 S HN 0.487 nan 8.310 nan 0.000 0.470 134 L N 2.292 123.640 121.223 0.208 0.000 2.342 134 L HA 0.974 5.317 4.340 0.004 0.000 0.271 134 L C -0.097 176.635 176.870 -0.231 0.000 1.008 134 L CA -0.799 54.056 54.840 0.025 0.000 0.818 134 L CB 1.836 43.826 42.059 -0.115 0.000 1.296 134 L HN 0.753 nan 8.230 nan 0.000 0.427 135 A N 1.305 123.830 122.820 -0.492 0.000 2.604 135 A HA 0.778 5.100 4.320 0.004 0.000 0.295 135 A C -1.603 175.708 177.584 -0.456 0.000 1.067 135 A CA -0.450 51.100 52.037 -0.812 0.000 0.683 135 A CB 1.304 19.232 19.000 -1.786 0.000 1.281 135 A HN 0.357 nan 8.150 nan 0.000 0.407 136 F N 0.835 120.528 119.950 -0.427 0.000 2.385 136 F HA 0.634 5.163 4.527 0.004 0.000 0.336 136 F C 1.079 176.643 175.800 -0.394 0.000 1.100 136 F CA -0.463 57.326 58.000 -0.351 0.000 1.116 136 F CB 1.854 40.649 39.000 -0.342 0.000 1.166 136 F HN 0.736 nan 8.300 nan 0.000 0.511 137 G N 1.299 109.821 108.800 -0.464 0.000 2.481 137 G HA2 0.438 4.401 3.960 0.004 0.000 0.315 137 G HA3 0.438 4.401 3.960 0.004 0.000 0.315 137 G C -1.400 173.170 174.900 -0.551 0.000 1.231 137 G CA -0.711 43.818 45.100 -0.952 0.000 0.968 137 G HN 0.424 nan 8.290 nan 0.000 0.482 138 Q N 0.445 120.085 119.800 -0.266 0.000 2.263 138 Q HA 0.488 4.830 4.340 0.004 0.000 0.270 138 Q C 0.818 176.883 176.000 0.109 0.000 1.104 138 Q CA 0.627 56.298 55.803 -0.220 0.000 0.909 138 Q CB 1.070 29.606 28.738 -0.337 0.000 1.214 138 Q HN 0.564 nan 8.270 nan 0.000 0.400 139 A N 3.689 126.556 122.820 0.079 0.000 2.063 139 A HA 0.376 4.698 4.320 0.004 0.000 0.211 139 A C 1.300 178.862 177.584 -0.037 0.000 1.177 139 A CA 0.484 52.568 52.037 0.079 0.000 0.759 139 A CB -0.527 18.478 19.000 0.008 0.000 0.857 139 A HN 1.327 nan 8.150 nan 0.000 0.468 140 G N -0.587 108.174 108.800 -0.065 0.000 2.338 140 G HA2 -0.325 3.638 3.960 0.004 0.000 0.296 140 G HA3 -0.325 3.638 3.960 0.004 0.000 0.296 140 G C 0.342 175.196 174.900 -0.078 0.000 1.040 140 G CA 1.223 46.273 45.100 -0.083 0.000 1.004 140 G HN 1.016 nan 8.290 nan 0.000 0.509 141 H N -1.095 117.835 119.070 -0.234 0.000 3.058 141 H HA 0.689 5.247 4.556 0.004 0.000 0.258 141 H C 0.873 176.027 175.328 -0.290 0.000 1.015 141 H CA 0.654 56.523 56.048 -0.299 0.000 1.210 141 H CB 0.448 29.945 29.762 -0.441 0.000 1.481 141 H HN 0.417 nan 8.280 nan 0.000 0.492 142 L N -0.242 120.772 121.223 -0.348 0.000 2.999 142 L HA 0.350 4.693 4.340 0.004 0.000 0.274 142 L C -2.702 173.984 176.870 -0.307 0.000 1.044 142 L CA -2.264 52.355 54.840 -0.368 0.000 0.943 142 L CB 2.504 44.280 42.059 -0.472 0.000 1.522 142 L HN -0.035 nan 8.230 nan 0.000 0.400 143 P HA 0.216 nan 4.420 nan 0.000 0.271 143 P C 0.415 177.400 177.300 -0.525 0.000 1.226 143 P CA 0.790 63.583 63.100 -0.512 0.000 0.765 143 P CB 0.721 31.992 31.700 -0.714 0.000 0.835 144 G N 2.285 110.819 108.800 -0.444 0.000 2.176 144 G HA2 -0.255 3.707 3.960 0.004 0.000 0.253 144 G HA3 -0.255 3.707 3.960 0.004 0.000 0.253 144 G C 0.376 175.121 174.900 -0.258 0.000 0.979 144 G CA 0.211 45.028 45.100 -0.473 0.000 0.641 144 G HN 0.753 nan 8.290 nan 0.000 0.530 145 S N -0.096 115.507 115.700 -0.162 0.000 2.560 145 S HA 0.720 5.193 4.470 0.004 0.000 0.284 145 S C 0.289 174.847 174.600 -0.071 0.000 1.327 145 S CA 1.013 59.125 58.200 -0.146 0.000 1.055 145 S CB 1.927 65.030 63.200 -0.162 0.000 0.868 145 S HN 2.119 nan 8.310 nan 0.000 0.506 146 A N 2.090 124.795 122.820 -0.192 0.000 2.609 146 A HA 0.730 5.053 4.320 0.004 0.000 0.291 146 A C -0.813 176.708 177.584 -0.105 0.000 1.096 146 A CA -1.133 50.797 52.037 -0.179 0.000 0.684 146 A CB 0.865 19.537 19.000 -0.546 0.000 1.282 146 A HN 1.375 nan 8.150 nan 0.000 0.412 147 F N 0.095 120.032 119.950 -0.022 0.000 2.492 147 F HA 0.790 5.319 4.527 0.003 0.000 0.327 147 F C -0.468 175.427 175.800 0.159 0.000 1.079 147 F CA -1.223 56.771 58.000 -0.010 0.000 0.967 147 F CB 1.257 40.297 39.000 0.066 0.000 1.169 147 F HN 0.279 nan 8.300 nan 0.000 0.472 148 V N 3.508 123.662 119.914 0.400 0.000 2.465 148 V HA 0.363 4.485 4.120 0.004 0.000 0.279 148 V C -0.176 176.147 176.094 0.382 0.000 1.045 148 V CA -0.804 61.726 62.300 0.382 0.000 0.938 148 V CB 1.189 33.285 31.823 0.455 0.000 0.986 148 V HN 0.731 nan 8.190 nan 0.000 0.467 149 V N 4.598 124.637 119.914 0.207 0.000 2.313 149 V HA 0.668 4.790 4.120 0.004 0.000 0.278 149 V C 0.428 176.618 176.094 0.160 0.000 1.017 149 V CA -0.393 62.032 62.300 0.209 0.000 0.823 149 V CB 1.317 33.227 31.823 0.145 0.000 1.010 149 V HN 1.001 nan 8.190 nan 0.000 0.443 150 A N 4.863 127.793 122.820 0.184 0.000 2.292 150 A HA 0.820 5.142 4.320 0.004 0.000 0.319 150 A C -0.432 177.250 177.584 0.163 0.000 1.206 150 A CA -0.484 51.645 52.037 0.153 0.000 0.835 150 A CB 1.389 20.460 19.000 0.117 0.000 1.164 150 A HN 0.612 nan 8.150 nan 0.000 0.505 151 Q N 1.307 121.209 119.800 0.170 0.000 2.285 151 Q HA 0.630 4.973 4.340 0.004 0.000 0.269 151 Q C -0.700 175.342 176.000 0.070 0.000 1.030 151 Q CA -0.000 55.880 55.803 0.129 0.000 0.788 151 Q CB 2.012 30.853 28.738 0.171 0.000 1.266 151 Q HN 1.485 nan 8.270 nan 0.000 0.438 152 G N 1.595 110.419 108.800 0.040 0.000 2.368 152 G HA2 0.295 4.258 3.960 0.004 0.000 0.293 152 G HA3 0.295 4.258 3.960 0.004 0.000 0.293 152 G C -1.104 173.802 174.900 0.009 0.000 1.467 152 G CA -0.318 44.792 45.100 0.017 0.000 0.804 152 G HN 0.609 nan 8.290 nan 0.000 0.535 153 E N -1.192 119.008 120.200 0.000 0.000 2.539 153 E HA -0.262 4.090 4.350 0.004 0.000 0.253 153 E C 1.458 178.056 176.600 -0.002 0.000 1.145 153 E CA 1.410 57.809 56.400 -0.002 0.000 0.738 153 E CB -1.324 28.376 29.700 0.001 0.000 1.308 153 E HN 2.487 nan 8.360 nan 0.000 0.409 154 G N -0.358 108.439 108.800 -0.005 0.000 2.168 154 G HA2 -0.371 3.591 3.960 0.004 0.000 0.263 154 G HA3 -0.371 3.591 3.960 0.004 0.000 0.263 154 G C 0.324 175.225 174.900 0.002 0.000 0.977 154 G CA 0.858 45.955 45.100 -0.005 0.000 0.659 154 G HN 0.231 nan 8.290 nan 0.000 0.533 155 R N -0.580 119.926 120.500 0.009 0.000 2.875 155 R HA 0.778 5.121 4.340 0.004 0.000 0.251 155 R C -0.720 175.599 176.300 0.033 0.000 1.123 155 R CA -0.176 55.934 56.100 0.017 0.000 1.064 155 R CB 1.387 31.696 30.300 0.015 0.000 1.205 155 R HN 0.165 nan 8.270 nan 0.000 0.503 156 T N 1.553 116.131 114.554 0.040 0.000 3.109 156 T HA 0.360 4.712 4.350 0.004 0.000 0.311 156 T C -1.144 173.597 174.700 0.068 0.000 1.011 156 T CA -0.622 61.518 62.100 0.066 0.000 1.026 156 T CB 1.427 70.336 68.868 0.068 0.000 1.047 156 T HN 0.374 nan 8.240 nan 0.000 0.448 157 L N 3.662 124.941 121.223 0.093 0.000 2.346 157 L HA 0.907 5.249 4.340 0.004 0.000 0.276 157 L C -1.358 175.606 176.870 0.157 0.000 1.006 157 L CA -0.615 54.286 54.840 0.101 0.000 0.817 157 L CB 1.652 43.765 42.059 0.090 0.000 1.272 157 L HN 0.476 nan 8.230 nan 0.000 0.421 158 V N 5.223 125.236 119.914 0.164 0.000 2.409 158 V HA 0.341 4.463 4.120 0.004 0.000 0.291 158 V C -1.124 175.170 176.094 0.334 0.000 1.020 158 V CA -0.417 62.031 62.300 0.247 0.000 0.848 158 V CB 1.437 33.342 31.823 0.136 0.000 0.990 158 V HN 0.731 nan 8.190 nan 0.000 0.430 159 Y N 4.214 124.676 120.300 0.269 0.000 2.331 159 Y HA 0.342 4.896 4.550 0.006 0.000 0.338 159 Y C 1.434 177.537 175.900 0.338 0.000 0.976 159 Y CA -0.063 58.182 58.100 0.243 0.000 1.137 159 Y CB 2.095 40.687 38.460 0.219 0.000 1.172 159 Y HN 0.743 nan 8.280 nan 0.000 0.478 160 S N 4.138 119.796 115.700 -0.070 0.000 2.395 160 S HA 0.241 4.714 4.470 0.004 0.000 0.225 160 S C 1.265 175.574 174.600 -0.485 0.000 1.027 160 S CA 0.767 58.821 58.200 -0.244 0.000 0.965 160 S CB -0.678 62.340 63.200 -0.303 0.000 0.812 160 S HN 1.456 nan 8.310 nan 0.000 0.482 161 G N 1.511 109.818 108.800 -0.821 0.000 2.547 161 G HA2 -0.217 3.746 3.960 0.004 0.000 0.271 161 G HA3 -0.217 3.746 3.960 0.004 0.000 0.271 161 G C -1.164 173.600 174.900 -0.225 0.000 1.209 161 G CA 0.236 45.078 45.100 -0.430 0.000 0.959 161 G HN 0.534 nan 8.290 nan 0.000 0.563 162 D N 1.380 121.583 120.400 -0.328 0.000 2.392 162 D HA 0.525 5.167 4.640 0.004 0.000 0.228 162 D C 0.563 176.541 176.300 -0.536 0.000 1.074 162 D CA -0.488 53.212 54.000 -0.500 0.000 0.838 162 D CB 1.023 41.138 40.800 -1.141 0.000 1.067 162 D HN 0.365 nan 8.370 nan 0.000 0.511 163 L N 2.073 123.050 121.223 -0.410 0.000 2.410 163 L HA 0.341 4.683 4.340 0.004 0.000 0.273 163 L C 1.530 178.279 176.870 -0.202 0.000 1.152 163 L CA 0.004 54.591 54.840 -0.422 0.000 0.855 163 L CB 0.313 41.992 42.059 -0.633 0.000 1.129 163 L HN 0.317 nan 8.230 nan 0.000 0.463 164 G N 2.501 111.223 108.800 -0.130 0.000 2.621 164 G HA2 0.034 3.996 3.960 0.004 0.000 0.271 164 G HA3 0.034 3.996 3.960 0.004 0.000 0.271 164 G C 0.088 174.967 174.900 -0.035 0.000 1.236 164 G CA -0.559 44.521 45.100 -0.034 0.000 0.958 164 G HN 0.800 nan 8.290 nan 0.000 0.512 165 N N -0.529 118.151 118.700 -0.033 0.000 2.645 165 N HA 0.097 4.840 4.740 0.004 0.000 0.233 165 N C 1.847 177.320 175.510 -0.062 0.000 1.058 165 N CA -0.529 52.504 53.050 -0.028 0.000 0.942 165 N CB 0.348 38.790 38.487 -0.075 0.000 1.210 165 N HN 0.585 nan 8.380 nan 0.000 0.512 166 R N 2.381 122.863 120.500 -0.031 0.000 2.211 166 R HA -0.187 4.155 4.340 0.004 0.000 0.240 166 R C 0.781 177.054 176.300 -0.046 0.000 1.144 166 R CA 1.340 57.422 56.100 -0.030 0.000 0.992 166 R CB -0.208 30.096 30.300 0.007 0.000 0.869 166 R HN 0.593 nan 8.270 nan 0.000 0.462 167 E N 1.106 121.277 120.200 -0.049 0.000 2.153 167 E HA -0.076 4.276 4.350 0.004 0.000 0.194 167 E C 0.246 176.728 176.600 -0.197 0.000 0.988 167 E CA 0.855 57.232 56.400 -0.039 0.000 0.811 167 E CB 0.113 29.835 29.700 0.038 0.000 0.746 167 E HN 0.424 nan 8.360 nan 0.000 0.466 168 K N 0.589 120.703 120.400 -0.476 0.000 2.143 168 K HA -0.009 4.314 4.320 0.004 0.000 0.239 168 K C 0.430 176.815 176.600 -0.358 0.000 1.048 168 K CA 0.170 55.890 56.287 -0.945 0.000 0.867 168 K CB 0.370 32.441 32.500 -0.716 0.000 1.088 168 K HN -0.100 nan 8.250 nan 0.000 0.510 169 D N -0.503 119.785 120.400 -0.187 0.000 2.454 169 D HA 0.014 4.656 4.640 0.004 0.000 0.214 169 D C 1.557 177.845 176.300 -0.019 0.000 1.088 169 D CA 0.314 54.338 54.000 0.039 0.000 0.855 169 D CB 0.383 41.351 40.800 0.279 0.000 1.025 169 D HN 0.115 nan 8.370 nan 0.000 0.502 170 V N 1.193 121.074 119.914 -0.055 0.000 2.283 170 V HA -0.075 4.048 4.120 0.004 0.000 0.243 170 V C 1.169 177.317 176.094 0.091 0.000 1.039 170 V CA 0.969 63.231 62.300 -0.064 0.000 1.016 170 V CB -0.061 31.795 31.823 0.055 0.000 0.650 170 V HN 0.119 nan 8.190 nan 0.000 0.449 171 L N 0.992 122.245 121.223 0.051 0.000 2.416 171 L HA 0.423 4.765 4.340 0.004 0.000 0.262 171 L C -2.110 174.753 176.870 -0.011 0.000 1.093 171 L CA -1.726 53.129 54.840 0.026 0.000 0.801 171 L CB -0.103 41.927 42.059 -0.047 0.000 1.191 171 L HN 0.124 nan 8.230 nan 0.000 0.459 172 P HA 0.119 nan 4.420 nan 0.000 0.276 172 P C -0.831 176.439 177.300 -0.049 0.000 1.261 172 P CA -0.638 62.436 63.100 -0.044 0.000 0.800 172 P CB 0.758 32.411 31.700 -0.078 0.000 1.066 173 D N 0.921 121.303 120.400 -0.031 0.000 2.443 173 D HA 0.151 4.794 4.640 0.004 0.000 0.239 173 D C -1.907 174.394 176.300 0.002 0.000 1.136 173 D CA -0.526 53.468 54.000 -0.010 0.000 0.879 173 D CB -0.584 40.225 40.800 0.014 0.000 1.195 173 D HN 0.205 nan 8.370 nan 0.000 0.443 174 P HA 0.038 nan 4.420 nan 0.000 0.272 174 P C -0.388 177.025 177.300 0.188 0.000 1.240 174 P CA -0.216 62.931 63.100 0.077 0.000 0.791 174 P CB 0.643 32.347 31.700 0.007 0.000 0.978 175 S N 0.971 116.883 115.700 0.355 0.000 2.578 175 S HA 0.385 4.857 4.470 0.004 0.000 0.283 175 S C -0.169 174.710 174.600 0.464 0.000 1.195 175 S CA -0.725 57.700 58.200 0.375 0.000 1.050 175 S CB -0.119 63.318 63.200 0.396 0.000 1.012 175 S HN 0.236 nan 8.310 nan 0.000 0.511 176 L N 5.198 126.554 121.223 0.221 0.000 2.461 176 L HA 0.330 4.672 4.340 0.004 0.000 0.272 176 L C -1.655 175.147 176.870 -0.113 0.000 1.197 176 L CA -1.491 53.329 54.840 -0.033 0.000 0.836 176 L CB 0.504 42.523 42.059 -0.067 0.000 1.105 176 L HN 0.582 nan 8.230 nan 0.000 0.477 177 P HA 0.264 nan 4.420 nan 0.000 0.279 177 P C -2.661 174.505 177.300 -0.223 0.000 1.252 177 P CA -1.613 61.161 63.100 -0.544 0.000 0.811 177 P CB 0.468 31.382 31.700 -1.310 0.000 1.035 178 P HA 0.132 nan 4.420 nan 0.000 0.274 178 P C -0.167 177.098 177.300 -0.059 0.000 1.237 178 P CA -0.475 62.633 63.100 0.014 0.000 0.793 178 P CB 0.510 32.280 31.700 0.117 0.000 0.977 179 L N 1.551 122.745 121.223 -0.047 0.000 2.584 179 L HA 0.301 4.643 4.340 0.004 0.000 0.272 179 L C 0.024 176.877 176.870 -0.029 0.000 1.195 179 L CA 0.551 55.356 54.840 -0.059 0.000 0.920 179 L CB -0.795 41.241 42.059 -0.038 0.000 1.173 179 L HN 0.557 nan 8.230 nan 0.000 0.489 180 A N 3.958 126.752 122.820 -0.043 0.000 2.387 180 A HA 0.503 4.825 4.320 0.004 0.000 0.303 180 A C 0.492 178.071 177.584 -0.008 0.000 1.145 180 A CA -0.525 51.507 52.037 -0.009 0.000 0.801 180 A CB 0.712 19.712 19.000 0.001 0.000 1.342 180 A HN 0.750 nan 8.150 nan 0.000 0.440 181 D N -0.994 119.411 120.400 0.008 0.000 2.249 181 D HA 0.135 4.778 4.640 0.004 0.000 0.205 181 D C -0.332 175.970 176.300 0.002 0.000 0.962 181 D CA 1.302 55.304 54.000 0.004 0.000 0.860 181 D CB 0.369 41.175 40.800 0.010 0.000 0.955 181 D HN 0.256 nan 8.370 nan 0.000 0.505 182 L N 0.196 121.426 121.223 0.011 0.000 2.549 182 L HA 0.307 4.649 4.340 0.004 0.000 0.259 182 L C -1.754 175.135 176.870 0.031 0.000 0.934 182 L CA -0.638 54.210 54.840 0.013 0.000 0.865 182 L CB 2.387 44.453 42.059 0.012 0.000 1.352 182 L HN -0.361 nan 8.230 nan 0.000 0.410 183 V N 5.260 125.192 119.914 0.030 0.000 2.409 183 V HA 0.463 4.585 4.120 0.004 0.000 0.291 183 V C -0.629 175.521 176.094 0.094 0.000 1.020 183 V CA -0.506 61.833 62.300 0.066 0.000 0.848 183 V CB 1.585 33.424 31.823 0.027 0.000 0.990 183 V HN 0.647 nan 8.190 nan 0.000 0.430 184 L N 6.002 127.315 121.223 0.150 0.000 2.288 184 L HA 0.807 5.149 4.340 0.004 0.000 0.283 184 L C 0.339 177.336 176.870 0.212 0.000 1.072 184 L CA 0.108 55.023 54.840 0.126 0.000 0.862 184 L CB 0.352 42.460 42.059 0.082 0.000 1.245 184 L HN 0.727 nan 8.230 nan 0.000 0.432 185 A N 4.212 127.120 122.820 0.147 0.000 2.311 185 A HA 0.701 5.023 4.320 0.004 0.000 0.334 185 A C -0.330 177.301 177.584 0.077 0.000 1.139 185 A CA -0.631 51.489 52.037 0.138 0.000 0.830 185 A CB 0.741 19.849 19.000 0.180 0.000 1.234 185 A HN 0.763 nan 8.150 nan 0.000 0.483 186 E N -0.070 120.148 120.200 0.029 0.000 2.314 186 E HA 0.585 4.937 4.350 0.004 0.000 0.262 186 E C 0.382 176.976 176.600 -0.010 0.000 1.093 186 E CA -0.238 56.170 56.400 0.013 0.000 0.908 186 E CB 1.204 30.898 29.700 -0.010 0.000 1.091 186 E HN 0.639 nan 8.360 nan 0.000 0.425 187 G N 0.920 109.698 108.800 -0.037 0.000 4.530 187 G HA2 0.004 3.967 3.960 0.004 0.000 0.284 187 G HA3 0.004 3.967 3.960 0.004 0.000 0.284 187 G C 0.669 175.501 174.900 -0.114 0.000 1.008 187 G CA 0.155 45.228 45.100 -0.045 0.000 0.770 187 G HN 0.537 nan 8.290 nan 0.000 0.424 188 T N 0.452 114.881 114.554 -0.209 0.000 2.701 188 T HA -0.267 4.085 4.350 0.004 0.000 0.265 188 T C 0.807 175.191 174.700 -0.526 0.000 1.032 188 T CA 1.592 63.434 62.100 -0.430 0.000 1.158 188 T CB -0.287 68.158 68.868 -0.705 0.000 0.854 188 T HN 0.407 nan 8.240 nan 0.000 0.463 189 Y N 0.171 120.390 120.300 -0.135 0.000 2.602 189 Y HA 0.499 5.052 4.550 0.004 0.000 0.373 189 Y C 1.486 177.337 175.900 -0.083 0.000 0.960 189 Y CA -0.850 57.192 58.100 -0.097 0.000 1.281 189 Y CB 0.435 38.832 38.460 -0.105 0.000 1.308 189 Y HN 0.143 nan 8.280 nan 0.000 0.595 190 G N -0.161 108.641 108.800 0.004 0.000 2.572 190 G HA2 -0.197 3.765 3.960 0.004 0.000 0.216 190 G HA3 -0.197 3.765 3.960 0.004 0.000 0.216 190 G C 1.312 176.222 174.900 0.016 0.000 1.133 190 G CA 0.977 46.083 45.100 0.010 0.000 0.791 190 G HN 0.518 nan 8.290 nan 0.000 0.538 191 D N 0.602 121.013 120.400 0.019 0.000 2.183 191 D HA 0.031 4.673 4.640 0.004 0.000 0.205 191 D C 1.169 177.493 176.300 0.040 0.000 0.962 191 D CA 0.341 54.358 54.000 0.027 0.000 0.849 191 D CB 0.005 40.820 40.800 0.026 0.000 0.978 191 D HN 0.507 nan 8.370 nan 0.000 0.488 192 R N -0.940 119.597 120.500 0.061 0.000 2.680 192 R HA 0.599 4.941 4.340 0.004 0.000 0.269 192 R C -3.013 173.246 176.300 -0.069 0.000 1.026 192 R CA -1.614 54.503 56.100 0.029 0.000 0.889 192 R CB 0.998 31.337 30.300 0.063 0.000 1.241 192 R HN -0.152 nan 8.270 nan 0.000 0.463 193 P HA 0.225 nan 4.420 nan 0.000 0.278 193 P C -0.859 176.289 177.300 -0.252 0.000 1.266 193 P CA -0.353 62.615 63.100 -0.219 0.000 0.807 193 P CB 0.738 32.392 31.700 -0.078 0.000 1.094 194 H N -0.050 118.988 119.070 -0.053 0.000 2.517 194 H HA 0.361 4.919 4.556 0.004 0.000 0.346 194 H C 0.527 175.849 175.328 -0.010 0.000 1.222 194 H CA -0.451 55.563 56.048 -0.057 0.000 1.314 194 H CB 0.692 30.389 29.762 -0.108 0.000 1.609 194 H HN 0.300 nan 8.280 nan 0.000 0.571 195 R N 1.231 121.819 120.500 0.147 0.000 2.491 195 R HA 0.139 4.481 4.340 0.004 0.000 0.283 195 R C -2.221 174.121 176.300 0.071 0.000 1.072 195 R CA -1.290 54.859 56.100 0.082 0.000 1.048 195 R CB -0.139 30.199 30.300 0.063 0.000 0.983 195 R HN 0.364 nan 8.270 nan 0.000 0.450 196 P HA -0.182 nan 4.420 nan 0.000 0.264 196 P C -0.284 177.042 177.300 0.043 0.000 1.179 196 P CA 0.548 63.682 63.100 0.056 0.000 0.763 196 P CB 0.336 32.057 31.700 0.036 0.000 0.806 197 Y N 3.436 123.691 120.300 -0.075 0.000 2.070 197 Y HA -0.330 4.223 4.550 0.004 0.000 0.280 197 Y C 2.649 178.469 175.900 -0.134 0.000 1.148 197 Y CA 1.458 59.472 58.100 -0.143 0.000 1.125 197 Y CB -0.152 38.250 38.460 -0.096 0.000 0.975 197 Y HN 0.168 nan 8.280 nan 0.000 0.492 198 R N 0.779 121.195 120.500 -0.140 0.000 2.143 198 R HA -0.288 4.054 4.340 0.004 0.000 0.239 198 R C 2.272 178.443 176.300 -0.215 0.000 1.126 198 R CA 2.567 58.550 56.100 -0.195 0.000 0.927 198 R CB -0.634 29.639 30.300 -0.045 0.000 0.860 198 R HN 0.724 nan 8.270 nan 0.000 0.433 199 E N -1.586 118.538 120.200 -0.127 0.000 2.338 199 E HA -0.131 4.222 4.350 0.004 0.000 0.197 199 E C 1.322 177.844 176.600 -0.129 0.000 1.007 199 E CA 1.545 57.886 56.400 -0.099 0.000 0.849 199 E CB -0.139 29.534 29.700 -0.045 0.000 0.774 199 E HN 0.272 nan 8.360 nan 0.000 0.506 200 T N 0.815 115.240 114.554 -0.215 0.000 2.857 200 T HA -0.050 4.302 4.350 0.004 0.000 0.266 200 T C 1.992 176.512 174.700 -0.301 0.000 1.048 200 T CA 1.076 63.024 62.100 -0.253 0.000 1.139 200 T CB -0.036 68.607 68.868 -0.375 0.000 0.874 200 T HN 0.050 nan 8.240 nan 0.000 0.455 201 V N 1.612 121.241 119.914 -0.476 0.000 2.295 201 V HA -0.163 3.960 4.120 0.004 0.000 0.246 201 V C 2.637 178.653 176.094 -0.129 0.000 1.049 201 V CA 1.576 63.671 62.300 -0.340 0.000 1.024 201 V CB -0.546 30.977 31.823 -0.500 0.000 0.648 201 V HN 0.369 nan 8.190 nan 0.000 0.447 202 R N -0.037 120.363 120.500 -0.166 0.000 2.080 202 R HA -0.239 4.103 4.340 0.004 0.000 0.236 202 R C 2.419 178.689 176.300 -0.051 0.000 1.137 202 R CA 2.003 58.035 56.100 -0.114 0.000 0.943 202 R CB -0.440 29.803 30.300 -0.094 0.000 0.846 202 R HN 0.637 nan 8.270 nan 0.000 0.431 203 E N 0.124 120.313 120.200 -0.017 0.000 2.209 203 E HA -0.219 4.133 4.350 0.004 0.000 0.196 203 E C 1.674 178.316 176.600 0.070 0.000 0.993 203 E CA 0.950 57.367 56.400 0.028 0.000 0.819 203 E CB -0.106 29.629 29.700 0.059 0.000 0.745 203 E HN 0.327 nan 8.360 nan 0.000 0.477 204 F N 0.711 120.626 119.950 -0.057 0.000 2.084 204 F HA -0.140 4.390 4.527 0.004 0.000 0.296 204 F C 1.895 177.654 175.800 -0.070 0.000 1.111 204 F CA 1.210 59.203 58.000 -0.011 0.000 1.224 204 F CB -0.010 39.060 39.000 0.116 0.000 0.991 204 F HN -0.019 nan 8.300 nan 0.000 0.471 205 L N 0.289 121.424 121.223 -0.147 0.000 2.131 205 L HA -0.227 4.116 4.340 0.004 0.000 0.210 205 L C 2.404 179.132 176.870 -0.238 0.000 1.092 205 L CA 1.752 56.430 54.840 -0.270 0.000 0.759 205 L CB -0.895 41.036 42.059 -0.213 0.000 0.903 205 L HN 0.312 nan 8.230 nan 0.000 0.435 206 E N 1.120 121.224 120.200 -0.160 0.000 2.058 206 E HA -0.252 4.100 4.350 0.004 0.000 0.194 206 E C 2.264 178.767 176.600 -0.161 0.000 0.997 206 E CA 1.578 57.904 56.400 -0.124 0.000 0.801 206 E CB -0.091 29.569 29.700 -0.067 0.000 0.746 206 E HN 0.459 nan 8.360 nan 0.000 0.450 207 I N 0.805 121.243 120.570 -0.221 0.000 2.208 207 I HA -0.303 3.870 4.170 0.004 0.000 0.245 207 I C 2.458 178.390 176.117 -0.307 0.000 1.097 207 I CA 0.943 62.062 61.300 -0.301 0.000 1.363 207 I CB -0.262 37.451 38.000 -0.479 0.000 1.051 207 I HN 0.217 nan 8.210 nan 0.000 0.413 208 L N 0.141 121.128 121.223 -0.395 0.000 2.046 208 L HA -0.219 4.124 4.340 0.004 0.000 0.208 208 L C 2.565 179.303 176.870 -0.220 0.000 1.077 208 L CA 1.303 55.934 54.840 -0.348 0.000 0.747 208 L CB -0.523 41.264 42.059 -0.454 0.000 0.896 208 L HN 0.202 nan 8.230 nan 0.000 0.432 209 E N 0.583 120.666 120.200 -0.195 0.000 2.021 209 E HA -0.303 4.049 4.350 0.004 0.000 0.200 209 E C 2.136 178.672 176.600 -0.106 0.000 1.015 209 E CA 1.919 58.238 56.400 -0.135 0.000 0.824 209 E CB -0.055 29.576 29.700 -0.116 0.000 0.762 209 E HN 0.214 nan 8.360 nan 0.000 0.454 210 K N -0.701 119.639 120.400 -0.100 0.000 2.009 210 K HA -0.177 4.145 4.320 0.004 0.000 0.210 210 K C 2.099 178.658 176.600 -0.069 0.000 1.049 210 K CA 2.210 58.455 56.287 -0.070 0.000 0.929 210 K CB -0.368 32.100 32.500 -0.053 0.000 0.714 210 K HN 0.142 nan 8.250 nan 0.000 0.440 211 T N 1.984 116.483 114.554 -0.091 0.000 2.652 211 T HA -0.144 4.208 4.350 0.004 0.000 0.267 211 T C 1.831 176.489 174.700 -0.070 0.000 1.039 211 T CA 1.660 63.713 62.100 -0.078 0.000 1.153 211 T CB -0.242 68.563 68.868 -0.105 0.000 0.863 211 T HN 0.171 nan 8.240 nan 0.000 0.428 212 L N 0.910 122.081 121.223 -0.087 0.000 2.083 212 L HA -0.084 4.258 4.340 0.004 0.000 0.209 212 L C 2.862 179.700 176.870 -0.054 0.000 1.083 212 L CA 1.004 55.802 54.840 -0.071 0.000 0.752 212 L CB -0.707 41.301 42.059 -0.086 0.000 0.899 212 L HN 0.251 nan 8.230 nan 0.000 0.433 213 S N -0.055 115.612 115.700 -0.055 0.000 2.402 213 S HA -0.200 4.272 4.470 0.004 0.000 0.229 213 S C 1.673 176.253 174.600 -0.032 0.000 1.021 213 S CA 1.256 59.431 58.200 -0.042 0.000 0.974 213 S CB -0.243 62.931 63.200 -0.042 0.000 0.800 213 S HN 0.595 nan 8.310 nan 0.000 0.484 214 Q N 0.720 120.501 119.800 -0.031 0.000 2.322 214 Q HA 0.341 4.683 4.340 0.004 0.000 0.203 214 Q C 0.896 176.884 176.000 -0.020 0.000 0.923 214 Q CA 0.407 56.197 55.803 -0.022 0.000 0.949 214 Q CB -0.372 28.354 28.738 -0.019 0.000 1.039 214 Q HN 0.376 nan 8.270 nan 0.000 0.496 215 G N 0.270 109.055 108.800 -0.024 0.000 2.198 215 G HA2 -0.268 3.694 3.960 0.004 0.000 0.260 215 G HA3 -0.268 3.694 3.960 0.004 0.000 0.260 215 G C 0.320 175.209 174.900 -0.018 0.000 1.025 215 G CA -0.052 45.036 45.100 -0.019 0.000 0.769 215 G HN 0.710 nan 8.290 nan 0.000 0.507 216 G N -0.943 107.841 108.800 -0.025 0.000 2.557 216 G HA2 0.598 4.560 3.960 0.004 0.000 0.292 216 G HA3 0.598 4.560 3.960 0.004 0.000 0.292 216 G C -0.065 174.817 174.900 -0.030 0.000 1.237 216 G CA -0.737 44.349 45.100 -0.024 0.000 0.978 216 G HN 0.407 nan 8.290 nan 0.000 0.498 217 K N -0.294 120.088 120.400 -0.030 0.000 2.235 217 K HA 0.438 4.761 4.320 0.004 0.000 0.266 217 K C -1.080 175.488 176.600 -0.054 0.000 0.980 217 K CA -0.592 55.672 56.287 -0.039 0.000 0.849 217 K CB 2.526 35.004 32.500 -0.036 0.000 1.098 217 K HN 0.131 nan 8.250 nan 0.000 0.445 218 V N 5.179 125.052 119.914 -0.068 0.000 2.318 218 V HA 0.135 4.258 4.120 0.004 0.000 0.271 218 V C -0.596 175.451 176.094 -0.078 0.000 1.030 218 V CA -0.777 61.471 62.300 -0.086 0.000 0.844 218 V CB 0.554 32.305 31.823 -0.121 0.000 1.015 218 V HN 0.517 nan 8.190 nan 0.000 0.460 219 L N 6.990 128.163 121.223 -0.084 0.000 2.281 219 L HA 0.470 4.812 4.340 0.004 0.000 0.285 219 L C 0.040 176.846 176.870 -0.107 0.000 1.074 219 L CA 0.337 55.117 54.840 -0.099 0.000 0.817 219 L CB 0.850 42.855 42.059 -0.089 0.000 1.168 219 L HN 0.448 nan 8.230 nan 0.000 0.434 220 I N 6.243 126.763 120.570 -0.084 0.000 2.537 220 I HA 0.254 4.426 4.170 0.004 0.000 0.276 220 I C -2.173 173.898 176.117 -0.076 0.000 1.063 220 I CA -1.702 59.554 61.300 -0.074 0.000 1.144 220 I CB 1.604 39.593 38.000 -0.018 0.000 1.252 220 I HN 0.393 nan 8.210 nan 0.000 0.480 221 P HA 0.077 nan 4.420 nan 0.000 0.268 221 P C -0.263 176.969 177.300 -0.114 0.000 1.204 221 P CA 0.349 63.417 63.100 -0.054 0.000 0.768 221 P CB 1.665 33.369 31.700 0.006 0.000 0.842 222 T N 2.470 116.941 114.554 -0.139 0.000 2.885 222 T HA 0.492 4.844 4.350 0.004 0.000 0.322 222 T C -0.898 173.704 174.700 -0.164 0.000 1.387 222 T CA -0.597 61.365 62.100 -0.230 0.000 1.041 222 T CB 0.325 69.124 68.868 -0.114 0.000 1.287 222 T HN 0.077 nan 8.240 nan 0.000 0.491 223 F N 1.895 121.884 119.950 0.065 0.000 2.450 223 F HA 0.488 5.017 4.527 0.005 0.000 0.339 223 F C 1.700 177.530 175.800 0.050 0.000 1.146 223 F CA -0.340 57.699 58.000 0.066 0.000 1.267 223 F CB 0.770 39.809 39.000 0.064 0.000 1.178 223 F HN 0.728 nan 8.300 nan 0.000 0.585 224 A N 1.786 124.760 122.820 0.255 0.000 2.195 224 A HA 0.140 4.462 4.320 0.004 0.000 0.210 224 A C 1.674 179.322 177.584 0.108 0.000 1.165 224 A CA 0.335 52.453 52.037 0.136 0.000 0.806 224 A CB -0.455 18.609 19.000 0.108 0.000 0.847 224 A HN 0.603 nan 8.150 nan 0.000 0.482 225 V N -0.652 119.364 119.914 0.170 0.000 2.331 225 V HA -0.061 4.062 4.120 0.004 0.000 0.242 225 V C 2.289 178.450 176.094 0.111 0.000 1.034 225 V CA 2.049 64.431 62.300 0.136 0.000 1.027 225 V CB -0.087 31.856 31.823 0.199 0.000 0.667 225 V HN 0.670 nan 8.190 nan 0.000 0.457 226 E N -0.958 119.334 120.200 0.154 0.000 2.505 226 E HA 0.021 4.374 4.350 0.004 0.000 0.212 226 E C 2.150 178.821 176.600 0.118 0.000 0.825 226 E CA -0.115 56.365 56.400 0.133 0.000 1.333 226 E CB 0.427 30.188 29.700 0.101 0.000 1.319 226 E HN 0.210 nan 8.360 nan 0.000 0.658 227 R N 1.614 122.204 120.500 0.151 0.000 2.083 227 R HA 0.027 4.369 4.340 0.004 0.000 0.237 227 R C 2.139 178.459 176.300 0.033 0.000 1.137 227 R CA 2.079 58.246 56.100 0.112 0.000 0.951 227 R CB -0.955 29.464 30.300 0.197 0.000 0.851 227 R HN 0.168 nan 8.270 nan 0.000 0.434 228 A N 0.920 123.762 122.820 0.036 0.000 1.892 228 A HA -0.249 4.073 4.320 0.004 0.000 0.218 228 A C 1.904 179.487 177.584 -0.000 0.000 1.188 228 A CA 2.011 54.047 52.037 -0.002 0.000 0.631 228 A CB -0.583 18.418 19.000 0.002 0.000 0.822 228 A HN 0.550 nan 8.150 nan 0.000 0.447 229 Q N -0.464 119.318 119.800 -0.030 0.000 2.245 229 Q HA -0.079 4.264 4.340 0.004 0.000 0.201 229 Q C 1.692 177.845 176.000 0.256 0.000 0.955 229 Q CA 1.336 57.139 55.803 -0.000 0.000 0.870 229 Q CB -0.558 27.920 28.738 -0.433 0.000 0.945 229 Q HN 0.863 nan 8.270 nan 0.000 0.461 230 E N 0.722 121.052 120.200 0.217 0.000 2.106 230 E HA -0.119 4.233 4.350 0.004 0.000 0.192 230 E C 1.836 178.594 176.600 0.264 0.000 0.984 230 E CA 0.570 57.159 56.400 0.315 0.000 0.806 230 E CB 0.181 30.018 29.700 0.228 0.000 0.750 230 E HN 0.199 nan 8.360 nan 0.000 0.458 231 I N 1.219 121.823 120.570 0.057 0.000 2.286 231 I HA -0.254 3.918 4.170 0.004 0.000 0.248 231 I C 2.341 178.547 176.117 0.148 0.000 1.115 231 I CA 1.084 62.350 61.300 -0.057 0.000 1.392 231 I CB -0.877 37.011 38.000 -0.188 0.000 1.065 231 I HN 0.282 nan 8.210 nan 0.000 0.418 232 L N -0.886 120.452 121.223 0.191 0.000 2.275 232 L HA -0.229 4.113 4.340 0.004 0.000 0.215 232 L C 2.561 179.609 176.870 0.297 0.000 1.119 232 L CA 0.926 55.901 54.840 0.224 0.000 0.790 232 L CB -0.632 41.551 42.059 0.206 0.000 0.919 232 L HN 0.210 nan 8.230 nan 0.000 0.443 233 Y N -0.189 120.234 120.300 0.204 0.000 2.286 233 Y HA -0.126 4.426 4.550 0.004 0.000 0.293 233 Y C 2.268 178.277 175.900 0.182 0.000 1.124 233 Y CA 1.041 59.188 58.100 0.080 0.000 1.178 233 Y CB -0.083 38.400 38.460 0.037 0.000 1.010 233 Y HN -0.176 nan 8.280 nan 0.000 0.536 234 V N 0.395 120.483 119.914 0.290 0.000 2.307 234 V HA -0.310 3.813 4.120 0.004 0.000 0.245 234 V C 2.440 178.700 176.094 0.277 0.000 1.045 234 V CA 1.983 64.476 62.300 0.322 0.000 1.024 234 V CB -0.695 31.393 31.823 0.442 0.000 0.651 234 V HN 0.425 nan 8.190 nan 0.000 0.449 235 L N -1.167 120.204 121.223 0.247 0.000 2.042 235 L HA -0.248 4.094 4.340 0.004 0.000 0.210 235 L C 2.480 179.387 176.870 0.061 0.000 1.076 235 L CA 2.239 57.176 54.840 0.161 0.000 0.749 235 L CB -0.724 41.422 42.059 0.144 0.000 0.893 235 L HN 0.437 nan 8.230 nan 0.000 0.432 236 Y N 1.153 121.405 120.300 -0.080 0.000 2.274 236 Y HA -0.259 4.293 4.550 0.004 0.000 0.290 236 Y C 2.633 178.374 175.900 -0.267 0.000 1.145 236 Y CA 1.896 59.891 58.100 -0.175 0.000 1.203 236 Y CB -0.059 38.270 38.460 -0.218 0.000 0.984 236 Y HN 0.262 nan 8.280 nan 0.000 0.533 237 T N -4.111 110.316 114.554 -0.213 0.000 3.086 237 T HA 0.086 4.438 4.350 0.004 0.000 0.250 237 T C 0.776 175.150 174.700 -0.545 0.000 1.074 237 T CA 0.441 62.299 62.100 -0.403 0.000 0.988 237 T CB -0.163 68.391 68.868 -0.523 0.000 0.988 237 T HN 0.451 nan 8.240 nan 0.000 0.530 238 H N -0.364 118.634 119.070 -0.121 0.000 3.078 238 H HA 0.396 4.954 4.556 0.004 0.000 0.263 238 H C 2.047 177.157 175.328 -0.364 0.000 1.177 238 H CA 0.080 55.988 56.048 -0.232 0.000 1.128 238 H CB 0.497 30.183 29.762 -0.128 0.000 1.623 238 H HN 0.475 nan 8.280 nan 0.000 0.592 239 G N 0.924 109.611 108.800 -0.189 0.000 2.559 239 G HA2 -0.241 3.722 3.960 0.004 0.000 0.216 239 G HA3 -0.241 3.722 3.960 0.004 0.000 0.216 239 G C 1.395 176.180 174.900 -0.191 0.000 1.126 239 G CA 0.806 45.798 45.100 -0.179 0.000 0.778 239 G HN 0.540 nan 8.290 nan 0.000 0.543 240 H N 0.551 119.545 119.070 -0.127 0.000 2.470 240 H HA 0.070 4.628 4.556 0.004 0.000 0.289 240 H C 2.110 177.395 175.328 -0.072 0.000 1.033 240 H CA 1.096 57.076 56.048 -0.113 0.000 1.331 240 H CB -0.099 29.587 29.762 -0.126 0.000 1.414 240 H HN 0.444 nan 8.280 nan 0.000 0.545 241 R N 0.604 120.772 120.500 -0.554 0.000 2.507 241 R HA 0.361 4.704 4.340 0.004 0.000 0.298 241 R C -0.761 175.425 176.300 -0.190 0.000 0.999 241 R CA -0.193 55.752 56.100 -0.258 0.000 1.082 241 R CB -0.101 30.033 30.300 -0.277 0.000 1.246 241 R HN 0.224 nan 8.270 nan 0.000 0.553 242 L N 2.168 123.281 121.223 -0.183 0.000 2.325 242 L HA 0.584 4.926 4.340 0.004 0.000 0.278 242 L C -1.954 174.854 176.870 -0.104 0.000 1.023 242 L CA -2.756 52.000 54.840 -0.140 0.000 0.811 242 L CB 1.674 43.649 42.059 -0.140 0.000 1.249 242 L HN 0.063 nan 8.230 nan 0.000 0.431 243 P HA 0.056 nan 4.420 nan 0.000 0.268 243 P C -0.889 176.370 177.300 -0.068 0.000 1.204 243 P CA -0.372 62.685 63.100 -0.071 0.000 0.768 243 P CB 0.412 32.072 31.700 -0.066 0.000 0.842 244 R N 1.742 122.208 120.500 -0.057 0.000 2.538 244 R HA 0.418 4.761 4.340 0.004 0.000 0.282 244 R C 0.327 176.598 176.300 -0.048 0.000 1.009 244 R CA 0.331 56.399 56.100 -0.054 0.000 1.063 244 R CB -0.421 29.852 30.300 -0.045 0.000 0.945 244 R HN 0.676 nan 8.270 nan 0.000 0.414 245 A N 4.709 127.497 122.820 -0.053 0.000 2.594 245 A HA 0.488 4.810 4.320 0.004 0.000 0.296 245 A C -2.660 174.884 177.584 -0.067 0.000 1.056 245 A CA -1.307 50.706 52.037 -0.040 0.000 0.693 245 A CB 1.700 20.681 19.000 -0.031 0.000 1.278 245 A HN 0.484 nan 8.150 nan 0.000 0.408 246 P HA 0.494 nan 4.420 nan 0.000 0.275 246 P C -0.852 176.291 177.300 -0.261 0.000 1.228 246 P CA 0.074 63.029 63.100 -0.242 0.000 0.786 246 P CB 0.725 32.231 31.700 -0.323 0.000 0.927 247 I N 3.087 123.450 120.570 -0.344 0.000 2.354 247 I HA 0.221 4.393 4.170 0.004 0.000 0.286 247 I C -0.408 175.541 176.117 -0.280 0.000 1.007 247 I CA -0.826 60.362 61.300 -0.187 0.000 1.167 247 I CB 0.579 38.525 38.000 -0.091 0.000 1.320 247 I HN 0.259 nan 8.210 nan 0.000 0.458 248 Y N 6.426 126.706 120.300 -0.033 0.000 2.353 248 Y HA 0.317 4.870 4.550 0.004 0.000 0.340 248 Y C 0.007 175.892 175.900 -0.024 0.000 0.972 248 Y CA -0.831 57.252 58.100 -0.030 0.000 1.157 248 Y CB 1.244 39.678 38.460 -0.044 0.000 1.157 248 Y HN 0.403 nan 8.280 nan 0.000 0.495 249 L N 4.599 125.890 121.223 0.113 0.000 2.397 249 L HA 0.297 4.639 4.340 0.004 0.000 0.263 249 L C -0.028 176.902 176.870 0.100 0.000 1.136 249 L CA -0.174 54.712 54.840 0.077 0.000 1.019 249 L CB -0.326 41.758 42.059 0.041 0.000 1.352 249 L HN 0.513 nan 8.230 nan 0.000 0.420 250 D N 1.992 122.465 120.400 0.121 0.000 2.767 250 D HA 0.135 4.777 4.640 0.004 0.000 0.231 250 D C -0.574 175.800 176.300 0.122 0.000 1.105 250 D CA 0.507 54.594 54.000 0.145 0.000 1.024 250 D CB -0.049 40.886 40.800 0.226 0.000 1.123 250 D HN 0.371 nan 8.370 nan 0.000 0.470 251 S N 1.315 117.069 115.700 0.091 0.000 2.461 251 S HA 0.307 4.780 4.470 0.004 0.000 0.245 251 S C -2.199 172.439 174.600 0.065 0.000 1.039 251 S CA -1.027 57.221 58.200 0.081 0.000 1.077 251 S CB 1.297 64.542 63.200 0.076 0.000 1.171 251 S HN -0.080 nan 8.310 nan 0.000 0.433 252 P HA -0.153 nan 4.420 nan 0.000 0.215 252 P C 1.872 179.201 177.300 0.049 0.000 1.157 252 P CA 1.125 64.262 63.100 0.061 0.000 0.874 252 P CB 0.033 31.780 31.700 0.078 0.000 0.790 253 M N -0.909 118.724 119.600 0.055 0.000 2.110 253 M HA -0.260 4.223 4.480 0.004 0.000 0.257 253 M C 2.053 178.371 176.300 0.030 0.000 1.071 253 M CA 2.525 57.854 55.300 0.049 0.000 1.096 253 M CB -0.986 31.653 32.600 0.066 0.000 1.300 253 M HN -0.094 nan 8.290 nan 0.000 0.411 254 A N -0.185 122.653 122.820 0.030 0.000 1.986 254 A HA -0.140 4.182 4.320 0.004 0.000 0.220 254 A C 2.209 179.768 177.584 -0.042 0.000 1.171 254 A CA 2.127 54.161 52.037 -0.004 0.000 0.640 254 A CB -1.480 17.525 19.000 0.010 0.000 0.811 254 A HN 0.660 nan 8.150 nan 0.000 0.451 255 G N -0.837 107.955 108.800 -0.012 0.000 2.414 255 G HA2 -0.198 3.764 3.960 0.004 0.000 0.215 255 G HA3 -0.198 3.764 3.960 0.004 0.000 0.215 255 G C 1.726 176.614 174.900 -0.020 0.000 1.188 255 G CA 0.782 45.872 45.100 -0.017 0.000 0.783 255 G HN 0.552 nan 8.290 nan 0.000 0.537 256 R N -0.218 120.282 120.500 -0.001 0.000 2.103 256 R HA -0.104 4.238 4.340 0.004 0.000 0.242 256 R C 2.664 178.961 176.300 -0.005 0.000 1.142 256 R CA 1.468 57.573 56.100 0.008 0.000 0.960 256 R CB -0.648 29.664 30.300 0.019 0.000 0.858 256 R HN 0.312 nan 8.270 nan 0.000 0.439 257 V N 1.228 121.122 119.914 -0.033 0.000 2.295 257 V HA -0.236 3.886 4.120 0.004 0.000 0.246 257 V C 2.210 178.203 176.094 -0.168 0.000 1.049 257 V CA 1.555 63.817 62.300 -0.064 0.000 1.024 257 V CB -0.505 31.258 31.823 -0.102 0.000 0.648 257 V HN 0.248 nan 8.190 nan 0.000 0.447 258 L N 0.383 121.462 121.223 -0.239 0.000 2.012 258 L HA -0.144 4.198 4.340 0.004 0.000 0.210 258 L C 2.545 179.385 176.870 -0.051 0.000 1.073 258 L CA 2.214 56.882 54.840 -0.288 0.000 0.748 258 L CB -0.874 41.080 42.059 -0.175 0.000 0.891 258 L HN 0.303 nan 8.230 nan 0.000 0.431 259 S N -0.403 115.298 115.700 0.002 0.000 2.387 259 S HA -0.199 4.273 4.470 0.004 0.000 0.230 259 S C 1.792 176.449 174.600 0.095 0.000 1.035 259 S CA 1.634 59.867 58.200 0.055 0.000 1.014 259 S CB -0.601 62.623 63.200 0.040 0.000 0.836 259 S HN 0.459 nan 8.310 nan 0.000 0.466 260 L N 0.495 121.780 121.223 0.103 0.000 2.291 260 L HA 0.125 4.468 4.340 0.004 0.000 0.214 260 L C 1.673 178.687 176.870 0.240 0.000 1.120 260 L CA 1.263 56.185 54.840 0.138 0.000 0.799 260 L CB -0.763 41.364 42.059 0.114 0.000 0.925 260 L HN 0.334 nan 8.230 nan 0.000 0.446 261 Y N 0.510 120.831 120.300 0.035 0.000 2.114 261 Y HA -0.251 4.301 4.550 0.004 0.000 0.282 261 Y C -0.121 175.850 175.900 0.119 0.000 1.165 261 Y CA 1.447 59.608 58.100 0.102 0.000 1.148 261 Y CB -1.439 36.985 38.460 -0.061 0.000 0.972 261 Y HN 0.267 nan 8.280 nan 0.000 0.504 262 P HA -0.197 nan 4.420 nan 0.000 0.217 262 P C 0.777 178.009 177.300 -0.114 0.000 1.148 262 P CA 1.786 64.864 63.100 -0.036 0.000 0.828 262 P CB -0.083 31.691 31.700 0.123 0.000 0.783 263 R N -1.416 119.087 120.500 0.006 0.000 2.307 263 R HA 0.067 4.410 4.340 0.004 0.000 0.199 263 R C 0.544 176.847 176.300 0.005 0.000 1.000 263 R CA 0.542 56.641 56.100 -0.002 0.000 1.023 263 R CB -0.258 30.058 30.300 0.026 0.000 0.908 263 R HN 0.212 nan 8.270 nan 0.000 0.473 264 L N -0.380 120.856 121.223 0.021 0.000 2.857 264 L HA 0.086 4.428 4.340 0.004 0.000 0.249 264 L C 1.656 178.546 176.870 0.033 0.000 1.172 264 L CA 0.268 55.136 54.840 0.047 0.000 0.980 264 L CB 0.338 42.318 42.059 -0.132 0.000 1.299 264 L HN -0.173 nan 8.230 nan 0.000 0.535 265 V N 1.127 121.038 119.914 -0.005 0.000 2.252 265 V HA -0.423 3.699 4.120 0.004 0.000 0.255 265 V C 2.760 178.907 176.094 0.089 0.000 1.071 265 V CA 2.649 64.967 62.300 0.031 0.000 1.050 265 V CB -0.969 30.658 31.823 -0.327 0.000 0.654 265 V HN 0.663 nan 8.190 nan 0.000 0.448 266 R N -0.230 120.186 120.500 -0.140 0.000 2.117 266 R HA -0.240 4.103 4.340 0.004 0.000 0.243 266 R C 2.120 178.212 176.300 -0.347 0.000 1.143 266 R CA 2.512 58.451 56.100 -0.269 0.000 0.968 266 R CB -0.894 29.134 30.300 -0.454 0.000 0.863 266 R HN 0.511 nan 8.270 nan 0.000 0.444 267 Y N 0.217 120.361 120.300 -0.261 0.000 2.571 267 Y HA 0.106 4.658 4.550 0.004 0.000 0.294 267 Y C 0.512 176.124 175.900 -0.480 0.000 1.141 267 Y CA 0.145 58.004 58.100 -0.402 0.000 1.308 267 Y CB -0.116 37.999 38.460 -0.575 0.000 1.002 267 Y HN -0.079 nan 8.280 nan 0.000 0.551 268 F N -0.753 119.201 119.950 0.007 0.000 2.364 268 F HA 0.312 4.842 4.527 0.005 0.000 0.316 268 F C 1.166 176.947 175.800 -0.032 0.000 1.133 268 F CA -1.384 56.610 58.000 -0.009 0.000 1.051 268 F CB -0.004 39.028 39.000 0.053 0.000 1.342 268 F HN -0.309 nan 8.300 nan 0.000 0.507 269 S N -0.104 115.709 115.700 0.188 0.000 2.596 269 S HA 0.047 4.520 4.470 0.004 0.000 0.260 269 S C 0.835 175.465 174.600 0.050 0.000 1.336 269 S CA -0.626 57.611 58.200 0.063 0.000 0.993 269 S CB 0.599 63.813 63.200 0.023 0.000 0.923 269 S HN 0.577 nan 8.310 nan 0.000 0.567 270 E N 0.731 120.940 120.200 0.015 0.000 2.153 270 E HA -0.168 4.185 4.350 0.004 0.000 0.194 270 E C 1.888 178.478 176.600 -0.017 0.000 0.988 270 E CA 1.337 57.742 56.400 0.008 0.000 0.811 270 E CB -0.386 29.315 29.700 0.001 0.000 0.746 270 E HN 0.922 nan 8.360 nan 0.000 0.466 271 E N 0.776 120.951 120.200 -0.042 0.000 2.028 271 E HA -0.134 4.218 4.350 0.004 0.000 0.191 271 E C 2.112 178.566 176.600 -0.243 0.000 0.988 271 E CA 1.233 57.560 56.400 -0.120 0.000 0.799 271 E CB 0.161 29.822 29.700 -0.065 0.000 0.755 271 E HN -0.003 nan 8.360 nan 0.000 0.447 272 V N 1.243 121.059 119.914 -0.165 0.000 2.490 272 V HA -0.246 3.877 4.120 0.004 0.000 0.250 272 V C 2.349 178.454 176.094 0.019 0.000 1.061 272 V CA 1.935 64.116 62.300 -0.199 0.000 1.064 272 V CB -0.504 31.185 31.823 -0.223 0.000 0.670 272 V HN 0.330 nan 8.190 nan 0.000 0.461 273 Q N -0.475 119.386 119.800 0.102 0.000 2.230 273 Q HA -0.049 4.293 4.340 0.004 0.000 0.202 273 Q C 2.415 178.497 176.000 0.137 0.000 0.963 273 Q CA 1.311 57.230 55.803 0.193 0.000 0.866 273 Q CB -0.271 28.544 28.738 0.129 0.000 0.931 273 Q HN 0.684 nan 8.270 nan 0.000 0.452 274 A N 0.398 123.238 122.820 0.033 0.000 1.930 274 A HA -0.207 4.115 4.320 0.004 0.000 0.217 274 A C 1.488 179.132 177.584 0.100 0.000 1.175 274 A CA 1.354 53.413 52.037 0.037 0.000 0.627 274 A CB -0.682 18.308 19.000 -0.017 0.000 0.815 274 A HN 0.415 nan 8.150 nan 0.000 0.443 275 H N -2.427 116.639 119.070 -0.007 0.000 2.293 275 H HA -0.105 4.453 4.556 0.004 0.000 0.300 275 H C 1.820 177.089 175.328 -0.099 0.000 1.082 275 H CA 1.382 57.369 56.048 -0.101 0.000 1.308 275 H CB -0.202 29.400 29.762 -0.266 0.000 1.375 275 H HN 0.502 nan 8.280 nan 0.000 0.495 276 F N 0.330 120.342 119.950 0.103 0.000 2.236 276 F HA -0.187 4.342 4.527 0.004 0.000 0.302 276 F C 2.242 178.077 175.800 0.059 0.000 1.073 276 F CA 0.659 58.695 58.000 0.060 0.000 1.336 276 F CB -0.255 38.779 39.000 0.057 0.000 1.040 276 F HN 0.143 nan 8.300 nan 0.000 0.507 277 L N -0.088 121.271 121.223 0.226 0.000 2.109 277 L HA -0.096 4.246 4.340 0.004 0.000 0.207 277 L C 2.003 178.939 176.870 0.109 0.000 1.086 277 L CA 1.607 56.534 54.840 0.146 0.000 0.760 277 L CB -0.808 41.316 42.059 0.108 0.000 0.910 277 L HN -0.004 nan 8.230 nan 0.000 0.437 278 Q N 0.511 120.370 119.800 0.099 0.000 2.491 278 Q HA 0.151 4.494 4.340 0.004 0.000 0.214 278 Q C 1.455 177.491 176.000 0.061 0.000 0.970 278 Q CA 0.739 56.583 55.803 0.068 0.000 0.960 278 Q CB -0.711 28.062 28.738 0.059 0.000 0.996 278 Q HN 0.639 nan 8.270 nan 0.000 0.524 279 G N 0.724 109.576 108.800 0.086 0.000 2.148 279 G HA2 -0.291 3.671 3.960 0.004 0.000 0.254 279 G HA3 -0.291 3.671 3.960 0.004 0.000 0.254 279 G C -0.017 174.926 174.900 0.071 0.000 0.981 279 G CA 0.396 45.549 45.100 0.087 0.000 0.670 279 G HN 0.358 nan 8.290 nan 0.000 0.528 280 K N -0.404 120.013 120.400 0.029 0.000 2.238 280 K HA 0.546 4.869 4.320 0.004 0.000 0.239 280 K C -0.676 175.792 176.600 -0.220 0.000 0.987 280 K CA -1.085 55.178 56.287 -0.040 0.000 0.857 280 K CB 1.169 33.649 32.500 -0.033 0.000 1.154 280 K HN 0.035 nan 8.250 nan 0.000 0.439 281 N N 2.599 121.138 118.700 -0.269 0.000 2.558 281 N HA 0.160 4.902 4.740 0.004 0.000 0.242 281 N C -2.110 172.900 175.510 -0.833 0.000 0.979 281 N CA -2.236 50.523 53.050 -0.485 0.000 0.931 281 N CB 1.081 39.561 38.487 -0.010 0.000 1.122 281 N HN 0.280 nan 8.380 nan 0.000 0.508 282 P HA 0.004 nan 4.420 nan 0.000 0.244 282 P C 0.063 176.640 177.300 -1.205 0.000 1.211 282 P CA 0.460 62.402 63.100 -1.931 0.000 0.760 282 P CB -0.187 30.967 31.700 -0.911 0.000 0.961 283 F N 0.022 119.721 119.950 -0.418 0.000 2.639 283 F HA 0.297 4.826 4.527 0.004 0.000 0.302 283 F C 1.222 176.998 175.800 -0.040 0.000 1.097 283 F CA -0.157 57.790 58.000 -0.089 0.000 1.294 283 F CB 0.380 39.387 39.000 0.012 0.000 1.027 283 F HN -0.261 nan 8.300 nan 0.000 0.550 284 R N 1.599 122.126 120.500 0.045 0.000 2.547 284 R HA 0.253 4.596 4.340 0.004 0.000 0.280 284 R C -2.751 173.716 176.300 0.278 0.000 1.630 284 R CA -1.488 54.698 56.100 0.143 0.000 1.470 284 R CB 1.095 31.458 30.300 0.106 0.000 1.178 284 R HN -0.082 nan 8.270 nan 0.000 0.591 285 P HA 0.075 nan 4.420 nan 0.000 0.273 285 P C -0.295 177.030 177.300 0.042 0.000 1.250 285 P CA -0.310 62.888 63.100 0.164 0.000 0.793 285 P CB 0.790 32.554 31.700 0.107 0.000 1.011 286 A N 0.309 123.104 122.820 -0.042 0.000 2.462 286 A HA 0.440 4.763 4.320 0.004 0.000 0.243 286 A C 1.389 178.933 177.584 -0.065 0.000 1.076 286 A CA 0.554 52.558 52.037 -0.056 0.000 0.773 286 A CB -1.424 17.526 19.000 -0.084 0.000 1.010 286 A HN 0.897 nan 8.150 nan 0.000 0.493 287 G N 0.275 109.031 108.800 -0.074 0.000 2.143 287 G HA2 -0.108 3.854 3.960 0.004 0.000 0.248 287 G HA3 -0.108 3.854 3.960 0.004 0.000 0.248 287 G C 0.055 174.859 174.900 -0.160 0.000 0.991 287 G CA 0.331 45.361 45.100 -0.116 0.000 0.689 287 G HN 1.628 nan 8.290 nan 0.000 0.522 288 L N 0.292 121.454 121.223 -0.102 0.000 2.426 288 L HA 0.807 5.150 4.340 0.004 0.000 0.271 288 L C 0.003 176.795 176.870 -0.130 0.000 1.169 288 L CA -0.502 54.279 54.840 -0.099 0.000 0.836 288 L CB 1.271 43.318 42.059 -0.020 0.000 1.112 288 L HN 0.251 nan 8.230 nan 0.000 0.465 289 E N 2.830 122.932 120.200 -0.162 0.000 2.290 289 E HA 0.486 4.839 4.350 0.004 0.000 0.274 289 E C -1.758 174.828 176.600 -0.024 0.000 0.889 289 E CA -0.454 55.869 56.400 -0.128 0.000 0.760 289 E CB 1.828 31.363 29.700 -0.276 0.000 1.206 289 E HN 0.381 nan 8.360 nan 0.000 0.419 290 V N 4.678 124.596 119.914 0.007 0.000 2.350 290 V HA 0.347 4.470 4.120 0.004 0.000 0.276 290 V C -0.339 175.782 176.094 0.046 0.000 1.028 290 V CA -0.814 61.506 62.300 0.033 0.000 0.860 290 V CB 1.462 33.295 31.823 0.016 0.000 0.990 290 V HN 0.556 nan 8.190 nan 0.000 0.453 291 V N 5.452 125.416 119.914 0.083 0.000 2.432 291 V HA 0.295 4.417 4.120 0.004 0.000 0.271 291 V C 1.002 177.114 176.094 0.030 0.000 1.046 291 V CA -0.297 62.044 62.300 0.068 0.000 0.945 291 V CB 1.162 33.053 31.823 0.114 0.000 0.992 291 V HN 0.869 nan 8.190 nan 0.000 0.471 292 E N 2.670 122.837 120.200 -0.055 0.000 2.075 292 E HA 0.084 4.436 4.350 0.004 0.000 0.190 292 E C 0.385 177.069 176.600 0.140 0.000 0.969 292 E CA 0.991 57.358 56.400 -0.054 0.000 0.815 292 E CB 0.188 29.703 29.700 -0.308 0.000 0.776 292 E HN 0.858 nan 8.360 nan 0.000 0.457 293 H N -0.833 118.249 119.070 0.019 0.000 2.616 293 H HA 0.281 4.839 4.556 0.004 0.000 0.353 293 H C 0.904 176.223 175.328 -0.015 0.000 1.170 293 H CA -0.602 55.448 56.048 0.002 0.000 1.212 293 H CB 1.645 31.406 29.762 -0.001 0.000 1.653 293 H HN -0.193 nan 8.280 nan 0.000 0.537 294 T N 0.756 115.372 114.554 0.104 0.000 2.737 294 T HA -0.210 4.142 4.350 0.004 0.000 0.269 294 T C 1.766 176.448 174.700 -0.030 0.000 1.040 294 T CA 1.753 63.849 62.100 -0.007 0.000 1.142 294 T CB -0.117 68.721 68.868 -0.049 0.000 0.861 294 T HN 0.518 nan 8.240 nan 0.000 0.456 295 E N 1.170 121.376 120.200 0.010 0.000 2.049 295 E HA -0.093 4.259 4.350 0.004 0.000 0.198 295 E C 2.283 178.869 176.600 -0.024 0.000 1.007 295 E CA 1.531 57.925 56.400 -0.010 0.000 0.809 295 E CB -0.586 29.127 29.700 0.021 0.000 0.749 295 E HN 0.475 nan 8.360 nan 0.000 0.450 296 A N -0.381 122.437 122.820 -0.003 0.000 1.930 296 A HA -0.137 4.185 4.320 0.004 0.000 0.217 296 A C 2.361 179.923 177.584 -0.037 0.000 1.175 296 A CA 1.833 53.860 52.037 -0.016 0.000 0.627 296 A CB -0.825 18.175 19.000 -0.000 0.000 0.815 296 A HN 0.291 nan 8.150 nan 0.000 0.443 297 S N -0.438 115.247 115.700 -0.024 0.000 2.368 297 S HA -0.161 4.312 4.470 0.004 0.000 0.225 297 S C 1.980 176.527 174.600 -0.087 0.000 1.030 297 S CA 1.757 59.942 58.200 -0.024 0.000 0.999 297 S CB -0.272 62.911 63.200 -0.029 0.000 0.844 297 S HN 0.607 nan 8.310 nan 0.000 0.459 298 K N 0.554 120.872 120.400 -0.137 0.000 2.228 298 K HA 0.153 4.476 4.320 0.004 0.000 0.202 298 K C 2.270 178.782 176.600 -0.148 0.000 1.051 298 K CA 0.781 56.958 56.287 -0.183 0.000 0.960 298 K CB -0.233 32.143 32.500 -0.207 0.000 0.743 298 K HN 0.419 nan 8.250 nan 0.000 0.458 299 A N 1.424 124.178 122.820 -0.109 0.000 1.969 299 A HA -0.097 4.225 4.320 0.004 0.000 0.218 299 A C 1.997 179.514 177.584 -0.112 0.000 1.169 299 A CA 1.025 53.003 52.037 -0.099 0.000 0.635 299 A CB -0.495 18.462 19.000 -0.072 0.000 0.810 299 A HN 0.167 nan 8.150 nan 0.000 0.445 300 L N -0.038 121.111 121.223 -0.124 0.000 2.265 300 L HA -0.192 4.150 4.340 0.004 0.000 0.215 300 L C 2.058 178.885 176.870 -0.072 0.000 1.117 300 L CA 0.729 55.471 54.840 -0.164 0.000 0.782 300 L CB -0.599 41.324 42.059 -0.228 0.000 0.914 300 L HN 0.421 nan 8.230 nan 0.000 0.441 301 N N 0.918 119.585 118.700 -0.055 0.000 2.084 301 N HA -0.166 4.577 4.740 0.004 0.000 0.190 301 N C 1.528 176.987 175.510 -0.086 0.000 1.030 301 N CA 1.345 54.358 53.050 -0.062 0.000 0.849 301 N CB -0.181 38.124 38.487 -0.303 0.000 1.012 301 N HN 0.382 nan 8.380 nan 0.000 0.423 302 R N 0.297 120.724 120.500 -0.122 0.000 2.388 302 R HA 0.356 4.698 4.340 0.004 0.000 0.247 302 R C 0.024 176.293 176.300 -0.053 0.000 0.931 302 R CA -0.193 55.858 56.100 -0.081 0.000 1.082 302 R CB 0.504 30.747 30.300 -0.094 0.000 1.135 302 R HN 0.029 nan 8.270 nan 0.000 0.525 303 A N 3.111 125.894 122.820 -0.061 0.000 2.276 303 A HA 0.364 4.687 4.320 0.004 0.000 0.300 303 A C -2.138 175.425 177.584 -0.034 0.000 1.235 303 A CA -1.817 50.189 52.037 -0.052 0.000 0.867 303 A CB 0.130 19.080 19.000 -0.083 0.000 1.137 303 A HN -0.022 nan 8.150 nan 0.000 0.527 304 P HA 0.095 nan 4.420 nan 0.000 0.267 304 P C 0.665 177.961 177.300 -0.005 0.000 1.200 304 P CA 0.377 63.472 63.100 -0.008 0.000 0.772 304 P CB 0.689 32.387 31.700 -0.004 0.000 0.855 305 G N 2.995 111.792 108.800 -0.005 0.000 2.570 305 G HA2 0.340 4.302 3.960 0.004 0.000 0.276 305 G HA3 0.340 4.302 3.960 0.004 0.000 0.276 305 G C -2.251 172.651 174.900 0.003 0.000 1.346 305 G CA -0.936 44.163 45.100 -0.001 0.000 1.034 305 G HN 0.461 nan 8.290 nan 0.000 0.512 306 P HA 0.405 nan 4.420 nan 0.000 0.282 306 P C -0.602 176.712 177.300 0.023 0.000 1.249 306 P CA -0.091 63.008 63.100 -0.003 0.000 0.806 306 P CB 1.442 33.130 31.700 -0.019 0.000 0.984 307 M N 0.272 119.885 119.600 0.023 0.000 2.605 307 M HA 0.467 4.950 4.480 0.004 0.000 0.281 307 M C -2.079 174.242 176.300 0.035 0.000 1.166 307 M CA -1.005 54.342 55.300 0.078 0.000 0.875 307 M CB 1.628 34.333 32.600 0.176 0.000 1.732 307 M HN -0.106 nan 8.290 nan 0.000 0.504 308 V N 2.438 122.385 119.914 0.053 0.000 2.398 308 V HA 0.744 4.867 4.120 0.004 0.000 0.286 308 V C -0.606 175.523 176.094 0.057 0.000 1.026 308 V CA -0.589 61.719 62.300 0.014 0.000 0.868 308 V CB 1.730 33.551 31.823 -0.004 0.000 0.982 308 V HN 0.703 nan 8.190 nan 0.000 0.443 309 V N 6.313 126.217 119.914 -0.017 0.000 2.604 309 V HA 0.589 4.712 4.120 0.004 0.000 0.305 309 V C -0.794 175.262 176.094 -0.062 0.000 1.043 309 V CA -0.625 61.636 62.300 -0.065 0.000 0.888 309 V CB 1.907 33.549 31.823 -0.302 0.000 0.995 309 V HN 0.602 nan 8.190 nan 0.000 0.429 310 L N 3.914 125.125 121.223 -0.019 0.000 2.385 310 L HA 0.985 5.327 4.340 0.004 0.000 0.273 310 L C 0.008 176.896 176.870 0.030 0.000 0.990 310 L CA -0.080 54.759 54.840 -0.002 0.000 0.821 310 L CB 1.795 43.862 42.059 0.014 0.000 1.279 310 L HN 0.900 nan 8.230 nan 0.000 0.412 311 A N 1.199 124.045 122.820 0.043 0.000 2.601 311 A HA 0.899 5.222 4.320 0.004 0.000 0.291 311 A C -0.679 176.948 177.584 0.072 0.000 1.075 311 A CA -0.031 52.064 52.037 0.097 0.000 0.671 311 A CB 1.107 20.232 19.000 0.207 0.000 1.277 311 A HN 0.776 nan 8.150 nan 0.000 0.417 312 G N -0.473 108.380 108.800 0.089 0.000 2.667 312 G HA2 0.589 4.552 3.960 0.004 0.000 0.310 312 G HA3 0.589 4.552 3.960 0.004 0.000 0.310 312 G C 0.200 175.159 174.900 0.098 0.000 1.259 312 G CA 0.294 45.444 45.100 0.083 0.000 1.019 312 G HN 1.527 nan 8.290 nan 0.000 0.496 313 S N -1.471 114.291 115.700 0.103 0.000 2.573 313 S HA 0.333 4.806 4.470 0.004 0.000 0.277 313 S C 1.743 176.384 174.600 0.067 0.000 1.346 313 S CA 0.420 58.694 58.200 0.124 0.000 1.034 313 S CB 0.783 64.066 63.200 0.139 0.000 0.879 313 S HN 1.024 nan 8.310 nan 0.000 0.528 314 G N 3.014 111.824 108.800 0.017 0.000 2.534 314 G HA2 -0.027 3.935 3.960 0.004 0.000 0.217 314 G HA3 -0.027 3.935 3.960 0.004 0.000 0.217 314 G C 1.061 175.852 174.900 -0.181 0.000 1.128 314 G CA 0.265 45.127 45.100 -0.397 0.000 0.784 314 G HN 0.667 nan 8.290 nan 0.000 0.542 315 M N -0.133 119.532 119.600 0.108 0.000 2.428 315 M HA 0.376 4.858 4.480 0.004 0.000 0.239 315 M C 0.954 177.318 176.300 0.106 0.000 1.121 315 M CA 0.004 55.391 55.300 0.145 0.000 1.019 315 M CB -0.227 32.510 32.600 0.228 0.000 1.485 315 M HN 0.176 nan 8.290 nan 0.000 0.484 316 L N -0.644 120.645 121.223 0.110 0.000 4.291 316 L HA -0.270 4.073 4.340 0.004 0.000 0.413 316 L C 1.331 178.250 176.870 0.082 0.000 1.162 316 L CA 0.234 55.137 54.840 0.105 0.000 0.961 316 L CB -2.167 39.974 42.059 0.135 0.000 2.095 316 L HN 0.363 nan 8.230 nan 0.000 0.838 317 A N -0.337 122.539 122.820 0.093 0.000 2.209 317 A HA 0.508 4.831 4.320 0.004 0.000 0.212 317 A C 1.292 178.916 177.584 0.067 0.000 1.158 317 A CA 1.517 53.602 52.037 0.081 0.000 0.742 317 A CB -0.049 19.011 19.000 0.100 0.000 0.790 317 A HN 1.092 nan 8.150 nan 0.000 0.472 318 G N -3.906 104.934 108.800 0.068 0.000 2.359 318 G HA2 0.579 4.541 3.960 0.004 0.000 0.293 318 G HA3 0.579 4.541 3.960 0.004 0.000 0.293 318 G C 0.032 174.975 174.900 0.072 0.000 1.300 318 G CA 0.159 45.293 45.100 0.057 0.000 0.888 318 G HN 2.123 nan 8.290 nan 0.000 0.541 319 G N -1.270 107.577 108.800 0.078 0.000 2.525 319 G HA2 0.221 4.184 3.960 0.004 0.000 0.685 319 G HA3 0.221 4.184 3.960 0.004 0.000 0.685 319 G C 0.495 175.468 174.900 0.122 0.000 1.290 319 G CA 0.564 45.722 45.100 0.098 0.000 0.915 319 G HN 1.113 nan 8.290 nan 0.000 0.548 320 R N -0.652 119.918 120.500 0.116 0.000 2.096 320 R HA 0.037 4.380 4.340 0.004 0.000 0.235 320 R C 2.711 179.033 176.300 0.036 0.000 1.127 320 R CA 1.747 57.893 56.100 0.076 0.000 0.968 320 R CB -0.369 29.949 30.300 0.029 0.000 0.861 320 R HN 0.605 nan 8.270 nan 0.000 0.440 321 I N 0.726 121.382 120.570 0.143 0.000 2.315 321 I HA -0.293 3.879 4.170 0.004 0.000 0.251 321 I C 1.487 177.669 176.117 0.108 0.000 1.125 321 I CA 1.554 62.973 61.300 0.198 0.000 1.392 321 I CB -0.020 38.063 38.000 0.138 0.000 1.065 321 I HN 0.166 nan 8.210 nan 0.000 0.424 322 L N -0.594 120.650 121.223 0.035 0.000 2.017 322 L HA -0.249 4.094 4.340 0.004 0.000 0.208 322 L C 2.603 179.423 176.870 -0.084 0.000 1.073 322 L CA 1.397 56.209 54.840 -0.048 0.000 0.745 322 L CB -1.236 40.744 42.059 -0.130 0.000 0.894 322 L HN 0.369 nan 8.230 nan 0.000 0.432 323 H N -0.966 118.078 119.070 -0.042 0.000 2.387 323 H HA -0.138 4.420 4.556 0.004 0.000 0.299 323 H C 2.329 177.669 175.328 0.021 0.000 1.090 323 H CA 1.375 57.406 56.048 -0.028 0.000 1.332 323 H CB -0.089 29.586 29.762 -0.145 0.000 1.386 323 H HN 0.449 nan 8.280 nan 0.000 0.516 324 H N -0.048 119.125 119.070 0.172 0.000 2.357 324 H HA -0.074 4.484 4.556 0.004 0.000 0.301 324 H C 2.368 177.742 175.328 0.076 0.000 1.082 324 H CA 0.549 56.657 56.048 0.100 0.000 1.342 324 H CB -0.109 29.678 29.762 0.042 0.000 1.389 324 H HN 0.173 nan 8.280 nan 0.000 0.511 325 L N 1.153 122.468 121.223 0.154 0.000 2.056 325 L HA -0.096 4.246 4.340 0.004 0.000 0.207 325 L C 2.519 179.404 176.870 0.025 0.000 1.078 325 L CA 1.383 56.263 54.840 0.066 0.000 0.749 325 L CB -0.636 41.442 42.059 0.032 0.000 0.901 325 L HN 0.126 nan 8.230 nan 0.000 0.433 326 K N -1.348 119.046 120.400 -0.009 0.000 2.211 326 K HA -0.189 4.134 4.320 0.004 0.000 0.204 326 K C 1.414 177.858 176.600 -0.260 0.000 1.047 326 K CA 1.398 57.599 56.287 -0.144 0.000 0.935 326 K CB -0.004 32.374 32.500 -0.204 0.000 0.728 326 K HN 0.504 nan 8.250 nan 0.000 0.452 327 H N -2.732 116.356 119.070 0.030 0.000 2.755 327 H HA 0.151 4.710 4.556 0.004 0.000 0.273 327 H C 1.162 176.507 175.328 0.028 0.000 1.055 327 H CA 0.609 56.675 56.048 0.030 0.000 1.191 327 H CB 1.419 31.204 29.762 0.038 0.000 1.536 327 H HN 0.340 nan 8.280 nan 0.000 0.529 328 G N 0.071 108.943 108.800 0.120 0.000 3.228 328 G HA2 0.037 3.999 3.960 0.004 0.000 0.245 328 G HA3 0.037 3.999 3.960 0.004 0.000 0.245 328 G C 1.165 176.085 174.900 0.033 0.000 1.051 328 G CA -0.075 45.068 45.100 0.073 0.000 0.809 328 G HN 0.051 nan 8.290 nan 0.000 0.531 329 L N 1.838 123.073 121.223 0.020 0.000 2.341 329 L HA 0.136 4.478 4.340 0.004 0.000 0.214 329 L C 2.678 179.549 176.870 0.003 0.000 1.115 329 L CA 1.620 56.463 54.840 0.005 0.000 0.820 329 L CB 0.015 42.072 42.059 -0.002 0.000 0.944 329 L HN 0.265 nan 8.230 nan 0.000 0.452 330 S N -2.435 113.266 115.700 0.001 0.000 2.603 330 S HA 0.018 4.491 4.470 0.004 0.000 0.220 330 S C 0.706 175.309 174.600 0.006 0.000 0.967 330 S CA -0.243 57.957 58.200 0.000 0.000 0.920 330 S CB -0.326 62.870 63.200 -0.006 0.000 0.773 330 S HN 0.359 nan 8.310 nan 0.000 0.529 331 D N 2.765 123.171 120.400 0.010 0.000 2.373 331 D HA 0.278 4.920 4.640 0.004 0.000 0.227 331 D C -1.571 174.734 176.300 0.008 0.000 1.091 331 D CA -2.436 51.570 54.000 0.010 0.000 0.840 331 D CB 1.894 42.702 40.800 0.013 0.000 1.060 331 D HN -0.003 nan 8.370 nan 0.000 0.502 332 P HA -0.147 nan 4.420 nan 0.000 0.220 332 P C 1.025 178.331 177.300 0.010 0.000 1.144 332 P CA 0.710 63.815 63.100 0.008 0.000 0.800 332 P CB 0.429 32.133 31.700 0.006 0.000 0.772 333 R N -1.198 119.305 120.500 0.006 0.000 2.236 333 R HA 0.051 4.394 4.340 0.004 0.000 0.208 333 R C 0.613 176.913 176.300 -0.000 0.000 1.036 333 R CA 0.212 56.313 56.100 0.002 0.000 1.001 333 R CB -0.233 30.065 30.300 -0.002 0.000 0.896 333 R HN 0.281 nan 8.270 nan 0.000 0.464 334 N N 0.278 118.980 118.700 0.003 0.000 2.463 334 N HA 0.340 5.083 4.740 0.004 0.000 0.270 334 N C -0.912 174.605 175.510 0.011 0.000 1.205 334 N CA -0.124 52.924 53.050 -0.003 0.000 0.974 334 N CB 1.500 39.986 38.487 -0.002 0.000 1.197 334 N HN 0.027 nan 8.380 nan 0.000 0.504 335 A N 0.796 123.614 122.820 -0.004 0.000 2.374 335 A HA 0.523 4.845 4.320 0.004 0.000 0.305 335 A C -0.965 176.614 177.584 -0.009 0.000 1.053 335 A CA -0.664 51.392 52.037 0.031 0.000 0.726 335 A CB 0.828 19.815 19.000 -0.021 0.000 1.229 335 A HN 0.627 nan 8.150 nan 0.000 0.431 336 L N 3.251 124.483 121.223 0.015 0.000 2.289 336 L HA 0.721 5.064 4.340 0.004 0.000 0.285 336 L C -1.326 175.497 176.870 -0.078 0.000 1.049 336 L CA -0.632 54.136 54.840 -0.120 0.000 0.804 336 L CB 1.403 43.339 42.059 -0.205 0.000 1.195 336 L HN 0.448 nan 8.230 nan 0.000 0.428 337 V N 5.368 125.191 119.914 -0.152 0.000 2.380 337 V HA 0.295 4.418 4.120 0.004 0.000 0.286 337 V C -0.519 175.534 176.094 -0.068 0.000 1.015 337 V CA -0.475 61.818 62.300 -0.011 0.000 0.834 337 V CB 1.254 33.134 31.823 0.095 0.000 1.009 337 V HN 0.461 nan 8.190 nan 0.000 0.428 338 F N 4.434 124.455 119.950 0.118 0.000 2.445 338 F HA 0.305 4.834 4.527 0.004 0.000 0.359 338 F C 1.106 176.954 175.800 0.080 0.000 1.101 338 F CA -0.165 57.873 58.000 0.063 0.000 1.177 338 F CB 1.631 40.665 39.000 0.057 0.000 1.110 338 F HN 0.417 nan 8.300 nan 0.000 0.522 339 V N 0.734 120.764 119.914 0.193 0.000 3.528 339 V HA 0.567 4.689 4.120 0.004 0.000 0.294 339 V C 0.631 176.814 176.094 0.149 0.000 1.404 339 V CA 0.394 62.752 62.300 0.097 0.000 1.065 339 V CB -0.041 31.628 31.823 -0.256 0.000 0.904 339 V HN 0.665 nan 8.190 nan 0.000 0.435 340 G N -0.972 107.920 108.800 0.152 0.000 2.569 340 G HA2 0.508 4.471 3.960 0.004 0.000 0.300 340 G HA3 0.508 4.471 3.960 0.004 0.000 0.300 340 G C -1.508 173.545 174.900 0.257 0.000 1.269 340 G CA -1.102 44.124 45.100 0.210 0.000 0.959 340 G HN 0.250 nan 8.290 nan 0.000 0.478 341 Y N 0.816 121.284 120.300 0.281 0.000 2.597 341 Y HA 0.282 4.835 4.550 0.004 0.000 0.336 341 Y C 0.046 176.017 175.900 0.118 0.000 1.216 341 Y CA 0.269 58.509 58.100 0.232 0.000 1.463 341 Y CB 0.808 39.462 38.460 0.323 0.000 1.303 341 Y HN 0.231 nan 8.280 nan 0.000 0.576 342 Q N 8.392 127.750 119.800 -0.737 0.000 2.348 342 Q HA 0.323 4.665 4.340 0.004 0.000 0.265 342 Q C -2.455 173.057 176.000 -0.813 0.000 0.998 342 Q CA -2.270 53.157 55.803 -0.626 0.000 0.831 342 Q CB 1.320 29.655 28.738 -0.671 0.000 1.251 342 Q HN 0.569 nan 8.270 nan 0.000 0.456 343 P HA -0.025 nan 4.420 nan 0.000 0.268 343 P C -0.279 176.948 177.300 -0.122 0.000 1.208 343 P CA -0.183 62.883 63.100 -0.056 0.000 0.777 343 P CB 0.947 32.723 31.700 0.127 0.000 0.875 344 Q N 0.483 120.260 119.800 -0.039 0.000 2.368 344 Q HA 0.431 4.773 4.340 0.004 0.000 0.237 344 Q C 1.318 177.306 176.000 -0.020 0.000 0.987 344 Q CA 1.283 57.059 55.803 -0.044 0.000 0.896 344 Q CB -0.168 28.567 28.738 -0.006 0.000 1.241 344 Q HN 0.820 nan 8.270 nan 0.000 0.485 345 G N 0.886 109.671 108.800 -0.025 0.000 2.148 345 G HA2 -0.193 3.770 3.960 0.004 0.000 0.254 345 G HA3 -0.193 3.770 3.960 0.004 0.000 0.254 345 G C 0.228 175.121 174.900 -0.011 0.000 0.981 345 G CA 0.068 45.161 45.100 -0.012 0.000 0.670 345 G HN 0.882 nan 8.290 nan 0.000 0.528 346 G N -1.619 107.165 108.800 -0.028 0.000 2.537 346 G HA2 0.664 4.626 3.960 0.004 0.000 0.323 346 G HA3 0.664 4.626 3.960 0.004 0.000 0.323 346 G C 0.900 175.787 174.900 -0.023 0.000 1.207 346 G CA -0.060 45.028 45.100 -0.020 0.000 0.976 346 G HN 0.796 nan 8.290 nan 0.000 0.487 347 L N 1.185 122.409 121.223 0.002 0.000 2.079 347 L HA 0.033 4.375 4.340 0.004 0.000 0.210 347 L C 2.578 179.466 176.870 0.030 0.000 1.081 347 L CA 2.889 57.743 54.840 0.024 0.000 0.752 347 L CB -0.892 41.195 42.059 0.047 0.000 0.896 347 L HN 0.630 nan 8.230 nan 0.000 0.433 348 G N -0.907 107.876 108.800 -0.029 0.000 2.511 348 G HA2 -0.307 3.655 3.960 0.004 0.000 0.216 348 G HA3 -0.307 3.655 3.960 0.004 0.000 0.216 348 G C 1.614 176.387 174.900 -0.212 0.000 1.218 348 G CA 1.196 46.180 45.100 -0.193 0.000 0.788 348 G HN 0.645 nan 8.290 nan 0.000 0.560 349 A N 0.585 123.281 122.820 -0.206 0.000 1.908 349 A HA -0.109 4.213 4.320 0.004 0.000 0.218 349 A C 2.186 179.734 177.584 -0.060 0.000 1.181 349 A CA 2.240 54.190 52.037 -0.146 0.000 0.627 349 A CB -0.599 18.326 19.000 -0.124 0.000 0.818 349 A HN 0.554 nan 8.150 nan 0.000 0.445 350 E N -0.261 119.919 120.200 -0.034 0.000 2.058 350 E HA -0.206 4.147 4.350 0.004 0.000 0.194 350 E C 1.858 178.471 176.600 0.022 0.000 0.997 350 E CA 1.549 57.947 56.400 -0.003 0.000 0.801 350 E CB -0.238 29.464 29.700 0.004 0.000 0.746 350 E HN 0.680 nan 8.360 nan 0.000 0.450 351 I N 0.767 121.370 120.570 0.055 0.000 2.315 351 I HA -0.240 3.932 4.170 0.004 0.000 0.248 351 I C 2.208 178.383 176.117 0.096 0.000 1.117 351 I CA 0.808 62.167 61.300 0.098 0.000 1.404 351 I CB -0.125 37.992 38.000 0.195 0.000 1.071 351 I HN 0.225 nan 8.210 nan 0.000 0.419 352 I N 0.779 121.400 120.570 0.085 0.000 2.756 352 I HA -0.215 3.958 4.170 0.004 0.000 0.262 352 I C 2.692 178.826 176.117 0.028 0.000 1.225 352 I CA 0.797 62.137 61.300 0.066 0.000 1.472 352 I CB -0.508 37.502 38.000 0.016 0.000 1.094 352 I HN 0.164 nan 8.210 nan 0.000 0.454 353 A N 0.690 123.520 122.820 0.017 0.000 1.933 353 A HA -0.178 4.145 4.320 0.004 0.000 0.218 353 A C 1.648 179.239 177.584 0.011 0.000 1.175 353 A CA 1.125 53.167 52.037 0.008 0.000 0.628 353 A CB -0.212 18.791 19.000 0.004 0.000 0.814 353 A HN 0.454 nan 8.150 nan 0.000 0.444 354 R N -1.808 118.703 120.500 0.018 0.000 3.390 354 R HA -0.087 4.256 4.340 0.004 0.000 0.280 354 R C -2.342 173.963 176.300 0.008 0.000 1.126 354 R CA 0.664 56.772 56.100 0.014 0.000 0.757 354 R CB -2.724 27.580 30.300 0.007 0.000 1.296 354 R HN 0.532 nan 8.270 nan 0.000 0.431 355 P HA 0.136 nan 4.420 nan 0.000 0.274 355 P C -1.732 175.570 177.300 0.003 0.000 1.264 355 P CA -0.747 62.355 63.100 0.005 0.000 0.795 355 P CB 0.370 32.072 31.700 0.005 0.000 1.064 356 P HA 0.014 nan 4.420 nan 0.000 0.221 356 P C 0.271 177.570 177.300 -0.002 0.000 1.150 356 P CA 1.278 64.378 63.100 -0.001 0.000 0.800 356 P CB 0.220 31.919 31.700 -0.001 0.000 0.787 357 A N -1.363 121.456 122.820 -0.002 0.000 2.609 357 A HA 0.627 4.949 4.320 0.004 0.000 0.291 357 A C -1.444 176.138 177.584 -0.003 0.000 1.096 357 A CA -0.475 51.560 52.037 -0.004 0.000 0.684 357 A CB 1.684 20.679 19.000 -0.008 0.000 1.282 357 A HN -0.144 nan 8.150 nan 0.000 0.412 358 V N 0.248 120.158 119.914 -0.006 0.000 3.007 358 V HA 0.651 4.773 4.120 0.004 0.000 0.311 358 V C -0.236 175.851 176.094 -0.013 0.000 1.120 358 V CA -0.727 61.571 62.300 -0.003 0.000 0.980 358 V CB 2.065 33.893 31.823 0.008 0.000 1.033 358 V HN 1.023 nan 8.190 nan 0.000 0.429 359 R N 2.850 123.343 120.500 -0.011 0.000 2.254 359 R HA 0.740 5.082 4.340 0.004 0.000 0.318 359 R C -1.271 175.015 176.300 -0.024 0.000 1.031 359 R CA 0.125 56.214 56.100 -0.019 0.000 0.905 359 R CB 0.416 30.707 30.300 -0.014 0.000 1.050 359 R HN 0.680 nan 8.270 nan 0.000 0.456 360 I N 5.516 126.061 120.570 -0.041 0.000 2.644 360 I HA 0.176 4.349 4.170 0.004 0.000 0.291 360 I C -0.198 175.870 176.117 -0.080 0.000 1.180 360 I CA -1.008 60.258 61.300 -0.057 0.000 1.040 360 I CB 2.029 39.991 38.000 -0.063 0.000 1.255 360 I HN 0.625 nan 8.210 nan 0.000 0.422 361 L N 5.965 127.134 121.223 -0.089 0.000 3.854 361 L HA -0.241 4.101 4.340 0.004 0.000 0.460 361 L C 0.972 177.806 176.870 -0.061 0.000 1.228 361 L CA 0.873 55.655 54.840 -0.098 0.000 0.760 361 L CB -1.608 40.347 42.059 -0.173 0.000 1.597 361 L HN 1.149 nan 8.230 nan 0.000 0.852 362 G N 0.743 109.518 108.800 -0.043 0.000 2.363 362 G HA2 -0.146 3.816 3.960 0.004 0.000 0.286 362 G HA3 -0.146 3.816 3.960 0.004 0.000 0.286 362 G C -0.076 174.804 174.900 -0.034 0.000 0.975 362 G CA 0.883 45.965 45.100 -0.030 0.000 1.309 362 G HN 0.755 nan 8.290 nan 0.000 0.491 363 E N -0.610 119.565 120.200 -0.040 0.000 2.879 363 E HA 0.350 4.702 4.350 0.004 0.000 0.345 363 E C -0.650 175.923 176.600 -0.045 0.000 0.955 363 E CA -0.611 55.762 56.400 -0.045 0.000 0.801 363 E CB 0.658 30.320 29.700 -0.064 0.000 1.324 363 E HN 0.191 nan 8.360 nan 0.000 0.417 364 E N 1.882 122.062 120.200 -0.034 0.000 2.217 364 E HA 0.257 4.609 4.350 0.004 0.000 0.279 364 E C -0.616 175.963 176.600 -0.035 0.000 1.068 364 E CA -0.135 56.248 56.400 -0.029 0.000 0.882 364 E CB 1.216 30.904 29.700 -0.019 0.000 1.039 364 E HN 0.299 nan 8.360 nan 0.000 0.418 365 V N 2.880 122.771 119.914 -0.039 0.000 2.435 365 V HA 0.634 4.757 4.120 0.004 0.000 0.290 365 V C -2.559 173.519 176.094 -0.026 0.000 1.030 365 V CA -2.858 59.416 62.300 -0.043 0.000 0.881 365 V CB 1.736 33.520 31.823 -0.064 0.000 0.983 365 V HN 0.441 nan 8.190 nan 0.000 0.445 366 P HA 0.170 nan 4.420 nan 0.000 0.265 366 P C -0.768 176.527 177.300 -0.009 0.000 1.193 366 P CA -0.031 63.061 63.100 -0.012 0.000 0.765 366 P CB 0.468 32.162 31.700 -0.010 0.000 0.823 367 L N 4.810 126.031 121.223 -0.004 0.000 2.314 367 L HA 0.289 4.631 4.340 0.004 0.000 0.275 367 L C 0.771 177.642 176.870 0.001 0.000 1.068 367 L CA 0.457 55.297 54.840 0.001 0.000 0.894 367 L CB -0.236 41.827 42.059 0.006 0.000 1.275 367 L HN 0.268 nan 8.230 nan 0.000 0.432 368 R N 3.130 123.631 120.500 0.001 0.000 2.191 368 R HA 0.431 4.774 4.340 0.004 0.000 0.196 368 R C 0.780 177.083 176.300 0.005 0.000 0.991 368 R CA 0.285 56.386 56.100 0.002 0.000 1.075 368 R CB 0.108 30.410 30.300 0.002 0.000 1.040 368 R HN 0.652 nan 8.270 nan 0.000 0.526 369 A N 2.270 125.094 122.820 0.007 0.000 2.587 369 A HA 0.059 4.381 4.320 0.004 0.000 0.233 369 A C 0.540 178.134 177.584 0.017 0.000 1.049 369 A CA 0.179 52.224 52.037 0.014 0.000 0.754 369 A CB 0.102 19.108 19.000 0.009 0.000 0.977 369 A HN 0.398 nan 8.150 nan 0.000 0.509 370 S N 1.100 116.824 115.700 0.040 0.000 2.580 370 S HA 0.515 4.987 4.470 0.004 0.000 0.274 370 S C -0.104 174.510 174.600 0.023 0.000 1.329 370 S CA -0.638 57.574 58.200 0.019 0.000 1.036 370 S CB 1.033 64.284 63.200 0.083 0.000 0.919 370 S HN 0.836 nan 8.310 nan 0.000 0.515 371 V N 2.830 122.670 119.914 -0.123 0.000 2.715 371 V HA 0.584 4.706 4.120 0.004 0.000 0.310 371 V C -0.844 175.084 176.094 -0.276 0.000 1.054 371 V CA -0.668 61.601 62.300 -0.052 0.000 0.928 371 V CB 1.605 33.441 31.823 0.020 0.000 1.007 371 V HN 1.050 nan 8.190 nan 0.000 0.437 372 H N 0.360 119.478 119.070 0.081 0.000 2.980 372 H HA 0.719 5.278 4.556 0.004 0.000 0.367 372 H C -0.805 174.655 175.328 0.219 0.000 1.206 372 H CA -0.599 55.525 56.048 0.126 0.000 1.126 372 H CB 2.126 31.952 29.762 0.107 0.000 1.838 372 H HN 0.551 nan 8.280 nan 0.000 0.552 373 T N 2.640 117.393 114.554 0.331 0.000 3.008 373 T HA 0.307 4.659 4.350 0.004 0.000 0.328 373 T C -0.696 174.165 174.700 0.268 0.000 1.020 373 T CA -0.602 61.686 62.100 0.313 0.000 1.043 373 T CB 0.061 69.062 68.868 0.222 0.000 1.010 373 T HN 0.290 nan 8.240 nan 0.000 0.466 374 L N 2.883 124.290 121.223 0.307 0.000 2.314 374 L HA 0.420 4.762 4.340 0.004 0.000 0.275 374 L C 1.624 178.654 176.870 0.266 0.000 1.068 374 L CA -0.563 54.445 54.840 0.279 0.000 0.894 374 L CB 0.703 42.999 42.059 0.395 0.000 1.275 374 L HN 0.804 nan 8.230 nan 0.000 0.432 375 G N 1.311 110.224 108.800 0.188 0.000 2.650 375 G HA2 -0.107 3.855 3.960 0.004 0.000 0.214 375 G HA3 -0.107 3.855 3.960 0.004 0.000 0.214 375 G C 1.398 176.333 174.900 0.058 0.000 1.136 375 G CA 0.579 45.779 45.100 0.167 0.000 0.789 375 G HN 0.734 nan 8.290 nan 0.000 0.536 376 G N 0.237 109.048 108.800 0.018 0.000 2.535 376 G HA2 -0.111 3.851 3.960 0.004 0.000 0.218 376 G HA3 -0.111 3.851 3.960 0.004 0.000 0.218 376 G C 1.034 175.878 174.900 -0.094 0.000 1.122 376 G CA -0.033 45.029 45.100 -0.063 0.000 0.769 376 G HN 0.437 nan 8.290 nan 0.000 0.549 377 F N 0.912 120.885 119.950 0.038 0.000 2.692 377 F HA 0.308 4.838 4.527 0.004 0.000 0.303 377 F C 1.600 177.370 175.800 -0.050 0.000 1.114 377 F CA -0.479 57.540 58.000 0.032 0.000 1.361 377 F CB 0.466 39.481 39.000 0.025 0.000 1.063 377 F HN 0.008 nan 8.300 nan 0.000 0.550 378 S N 0.099 115.763 115.700 -0.061 0.000 2.549 378 S HA 0.242 4.715 4.470 0.004 0.000 0.279 378 S C 1.329 175.848 174.600 -0.133 0.000 1.321 378 S CA -0.058 58.051 58.200 -0.152 0.000 1.054 378 S CB 1.080 63.885 63.200 -0.659 0.000 0.899 378 S HN 0.415 nan 8.310 nan 0.000 0.497 379 G N 3.456 112.243 108.800 -0.021 0.000 2.985 379 G HA2 0.115 4.077 3.960 0.004 0.000 0.209 379 G HA3 0.115 4.077 3.960 0.004 0.000 0.209 379 G C 0.376 175.245 174.900 -0.052 0.000 1.165 379 G CA -0.030 45.019 45.100 -0.086 0.000 0.776 379 G HN 0.763 nan 8.290 nan 0.000 0.541 380 H N 0.207 119.353 119.070 0.127 0.000 2.463 380 H HA 0.530 5.088 4.556 0.004 0.000 0.332 380 H C 0.106 175.539 175.328 0.175 0.000 1.127 380 H CA -0.588 55.576 56.048 0.193 0.000 1.238 380 H CB 1.873 31.854 29.762 0.366 0.000 1.478 380 H HN 0.121 nan 8.280 nan 0.000 0.499 381 A N 2.537 125.493 122.820 0.227 0.000 2.488 381 A HA 0.366 4.688 4.320 0.004 0.000 0.249 381 A C 1.027 178.705 177.584 0.158 0.000 1.083 381 A CA 0.331 52.448 52.037 0.134 0.000 0.768 381 A CB -0.134 18.866 19.000 0.001 0.000 1.017 381 A HN 0.771 nan 8.150 nan 0.000 0.496 382 G N 0.247 109.079 108.800 0.054 0.000 2.599 382 G HA2 0.314 4.276 3.960 0.004 0.000 0.264 382 G HA3 0.314 4.276 3.960 0.004 0.000 0.264 382 G C 0.734 175.587 174.900 -0.078 0.000 1.200 382 G CA 0.241 45.181 45.100 -0.266 0.000 0.896 382 G HN 0.936 nan 8.290 nan 0.000 0.536 383 Q N -0.342 119.413 119.800 -0.075 0.000 2.133 383 Q HA -0.244 4.098 4.340 0.004 0.000 0.208 383 Q C 1.978 177.979 176.000 0.002 0.000 0.991 383 Q CA 2.457 58.255 55.803 -0.009 0.000 0.867 383 Q CB -0.173 28.563 28.738 -0.003 0.000 0.911 383 Q HN 0.762 nan 8.270 nan 0.000 0.417 384 D N -0.363 120.030 120.400 -0.011 0.000 2.144 384 D HA -0.207 4.435 4.640 0.004 0.000 0.200 384 D C 1.367 177.688 176.300 0.034 0.000 0.978 384 D CA 1.486 55.494 54.000 0.013 0.000 0.833 384 D CB -0.484 40.322 40.800 0.010 0.000 0.961 384 D HN 0.474 nan 8.370 nan 0.000 0.470 385 E N -0.364 119.857 120.200 0.034 0.000 2.106 385 E HA -0.075 4.277 4.350 0.004 0.000 0.192 385 E C 2.100 178.754 176.600 0.091 0.000 0.984 385 E CA 0.121 56.558 56.400 0.060 0.000 0.806 385 E CB -0.001 29.729 29.700 0.050 0.000 0.750 385 E HN 0.077 nan 8.360 nan 0.000 0.458 386 L N 0.735 122.000 121.223 0.070 0.000 1.989 386 L HA -0.211 4.131 4.340 0.004 0.000 0.211 386 L C 2.194 179.141 176.870 0.129 0.000 1.071 386 L CA 1.623 56.521 54.840 0.097 0.000 0.749 386 L CB -0.820 41.276 42.059 0.062 0.000 0.890 386 L HN 0.203 nan 8.230 nan 0.000 0.431 387 L N -0.912 120.360 121.223 0.081 0.000 2.129 387 L HA -0.264 4.078 4.340 0.004 0.000 0.212 387 L C 2.187 179.099 176.870 0.071 0.000 1.087 387 L CA 1.157 56.036 54.840 0.065 0.000 0.757 387 L CB -0.635 41.449 42.059 0.040 0.000 0.896 387 L HN 0.315 nan 8.230 nan 0.000 0.434 388 D N -1.084 119.370 120.400 0.090 0.000 2.103 388 D HA -0.198 4.444 4.640 0.004 0.000 0.199 388 D C 1.720 178.081 176.300 0.103 0.000 0.978 388 D CA 0.934 54.984 54.000 0.083 0.000 0.829 388 D CB -0.219 40.634 40.800 0.089 0.000 0.981 388 D HN 0.316 nan 8.370 nan 0.000 0.464 389 W N 0.964 122.239 121.300 -0.041 0.000 2.335 389 W HA -0.164 4.498 4.660 0.003 0.000 0.311 389 W C 1.760 178.232 176.519 -0.078 0.000 1.213 389 W CA 0.853 58.154 57.345 -0.073 0.000 1.274 389 W CB -0.363 29.040 29.460 -0.095 0.000 1.148 389 W HN -0.070 nan 8.180 nan 0.000 0.498 390 L N 0.894 122.172 121.223 0.090 0.000 2.551 390 L HA -0.030 4.313 4.340 0.004 0.000 0.228 390 L C 1.413 178.236 176.870 -0.078 0.000 1.153 390 L CA 1.140 55.964 54.840 -0.026 0.000 0.851 390 L CB -1.811 40.296 42.059 0.079 0.000 0.959 390 L HN -0.032 nan 8.230 nan 0.000 0.451 391 Q N 0.175 119.936 119.800 -0.065 0.000 2.286 391 Q HA 0.177 4.520 4.340 0.004 0.000 0.290 391 Q C 1.305 177.252 176.000 -0.089 0.000 1.049 391 Q CA 1.183 56.952 55.803 -0.057 0.000 0.923 391 Q CB 0.466 29.182 28.738 -0.037 0.000 1.183 391 Q HN 0.502 nan 8.270 nan 0.000 0.383 392 G N 4.068 112.830 108.800 -0.063 0.000 2.284 392 G HA2 -0.214 3.748 3.960 0.004 0.000 0.247 392 G HA3 -0.214 3.748 3.960 0.004 0.000 0.247 392 G C -0.204 174.654 174.900 -0.070 0.000 1.012 392 G CA 0.226 45.288 45.100 -0.064 0.000 0.618 392 G HN 0.606 nan 8.290 nan 0.000 0.521 393 E N 1.869 122.015 120.200 -0.091 0.000 2.299 393 E HA 0.221 4.574 4.350 0.004 0.000 0.272 393 E C -0.837 175.733 176.600 -0.050 0.000 1.043 393 E CA -1.103 55.246 56.400 -0.085 0.000 0.895 393 E CB 1.448 31.077 29.700 -0.117 0.000 1.011 393 E HN 0.351 nan 8.360 nan 0.000 0.432 394 P HA -0.130 nan 4.420 nan 0.000 0.216 394 P C -0.075 177.214 177.300 -0.019 0.000 1.153 394 P CA 1.193 64.278 63.100 -0.025 0.000 0.848 394 P CB 0.610 32.297 31.700 -0.021 0.000 0.787 395 R N -0.619 119.870 120.500 -0.018 0.000 2.575 395 R HA 0.611 4.954 4.340 0.004 0.000 0.293 395 R C -1.284 175.012 176.300 -0.007 0.000 0.983 395 R CA -0.746 55.347 56.100 -0.011 0.000 0.887 395 R CB 2.872 33.167 30.300 -0.009 0.000 1.184 395 R HN -0.199 nan 8.270 nan 0.000 0.445 396 V N 3.102 123.016 119.914 -0.000 0.000 2.638 396 V HA 0.418 4.541 4.120 0.004 0.000 0.306 396 V C -0.606 175.494 176.094 0.010 0.000 1.052 396 V CA -0.871 61.436 62.300 0.012 0.000 0.885 396 V CB 2.273 34.108 31.823 0.020 0.000 0.999 396 V HN 0.448 nan 8.190 nan 0.000 0.424 397 V N 5.688 125.609 119.914 0.011 0.000 2.417 397 V HA 0.482 4.605 4.120 0.004 0.000 0.291 397 V C -0.557 175.539 176.094 0.003 0.000 1.024 397 V CA -0.609 61.688 62.300 -0.006 0.000 0.861 397 V CB 1.737 33.541 31.823 -0.030 0.000 0.985 397 V HN 0.570 nan 8.190 nan 0.000 0.436 398 L N 6.506 127.730 121.223 0.001 0.000 2.289 398 L HA 0.710 5.053 4.340 0.004 0.000 0.285 398 L C 0.049 176.921 176.870 0.003 0.000 1.049 398 L CA 0.284 55.130 54.840 0.009 0.000 0.804 398 L CB 1.595 43.660 42.059 0.010 0.000 1.195 398 L HN 0.604 nan 8.230 nan 0.000 0.428 399 V N 0.222 120.147 119.914 0.018 0.000 3.167 399 V HA 0.749 4.871 4.120 0.004 0.000 0.310 399 V C -0.155 175.969 176.094 0.051 0.000 1.207 399 V CA -1.508 60.816 62.300 0.040 0.000 1.059 399 V CB 1.785 33.633 31.823 0.042 0.000 1.079 399 V HN 0.335 nan 8.190 nan 0.000 0.446 400 V N 0.845 120.800 119.914 0.069 0.000 4.273 400 V HA 0.273 4.396 4.120 0.004 0.000 0.450 400 V C 0.595 176.661 176.094 -0.046 0.000 0.683 400 V CA 1.539 63.856 62.300 0.028 0.000 1.815 400 V CB -1.562 30.296 31.823 0.059 0.000 2.190 400 V HN 2.550 nan 8.190 nan 0.000 0.492 401 G N 3.914 112.676 108.800 -0.063 0.000 2.347 401 G HA2 0.354 4.317 3.960 0.004 0.000 0.321 401 G HA3 0.354 4.317 3.960 0.004 0.000 0.321 401 G C -1.075 173.782 174.900 -0.071 0.000 1.412 401 G CA -0.432 44.601 45.100 -0.111 0.000 0.990 401 G HN 0.767 nan 8.290 nan 0.000 0.637 402 E N 0.012 120.162 120.200 -0.085 0.000 2.313 402 E HA 0.327 4.679 4.350 0.004 0.000 0.272 402 E C 1.059 177.637 176.600 -0.036 0.000 1.038 402 E CA -0.256 56.114 56.400 -0.051 0.000 0.863 402 E CB 2.183 31.852 29.700 -0.051 0.000 1.060 402 E HN 0.642 nan 8.360 nan 0.000 0.402 403 E N 1.933 122.121 120.200 -0.021 0.000 2.132 403 E HA -0.368 3.984 4.350 0.004 0.000 0.218 403 E C 1.236 177.827 176.600 -0.015 0.000 1.058 403 E CA 2.205 58.597 56.400 -0.013 0.000 0.882 403 E CB 0.150 29.845 29.700 -0.009 0.000 0.774 403 E HN 0.467 nan 8.360 nan 0.000 0.467 404 E N 0.592 120.783 120.200 -0.015 0.000 2.048 404 E HA -0.236 4.117 4.350 0.004 0.000 0.202 404 E C 2.002 178.592 176.600 -0.016 0.000 1.021 404 E CA 1.631 58.023 56.400 -0.012 0.000 0.825 404 E CB -0.141 29.554 29.700 -0.009 0.000 0.756 404 E HN 0.161 nan 8.360 nan 0.000 0.454 405 K N 0.220 120.602 120.400 -0.030 0.000 2.020 405 K HA -0.153 4.170 4.320 0.004 0.000 0.212 405 K C 2.104 178.688 176.600 -0.026 0.000 1.050 405 K CA 0.968 57.232 56.287 -0.038 0.000 0.929 405 K CB -0.751 31.699 32.500 -0.083 0.000 0.714 405 K HN 0.105 nan 8.250 nan 0.000 0.443 406 L N 0.972 122.179 121.223 -0.028 0.000 2.042 406 L HA -0.159 4.183 4.340 0.004 0.000 0.210 406 L C 2.350 179.217 176.870 -0.006 0.000 1.076 406 L CA 1.294 56.125 54.840 -0.015 0.000 0.749 406 L CB -0.966 41.085 42.059 -0.013 0.000 0.893 406 L HN 0.090 nan 8.230 nan 0.000 0.432 407 L N -0.852 120.367 121.223 -0.006 0.000 2.056 407 L HA -0.087 4.255 4.340 0.004 0.000 0.207 407 L C 2.638 179.509 176.870 0.001 0.000 1.078 407 L CA 1.894 56.733 54.840 -0.002 0.000 0.749 407 L CB -1.706 40.352 42.059 -0.002 0.000 0.901 407 L HN 0.257 nan 8.230 nan 0.000 0.433 408 A N -0.850 121.970 122.820 0.000 0.000 1.902 408 A HA -0.207 4.115 4.320 0.004 0.000 0.217 408 A C 2.379 179.967 177.584 0.007 0.000 1.181 408 A CA 1.677 53.716 52.037 0.004 0.000 0.623 408 A CB -0.757 18.245 19.000 0.005 0.000 0.818 408 A HN 0.381 nan 8.150 nan 0.000 0.443 409 L N -0.725 120.502 121.223 0.006 0.000 2.056 409 L HA -0.107 4.236 4.340 0.004 0.000 0.207 409 L C 2.600 179.477 176.870 0.012 0.000 1.078 409 L CA 1.547 56.394 54.840 0.012 0.000 0.749 409 L CB -0.851 41.216 42.059 0.013 0.000 0.901 409 L HN 0.474 nan 8.230 nan 0.000 0.433 410 G N -0.084 108.721 108.800 0.008 0.000 2.491 410 G HA2 -0.374 3.588 3.960 0.004 0.000 0.218 410 G HA3 -0.374 3.588 3.960 0.004 0.000 0.218 410 G C 1.612 176.516 174.900 0.007 0.000 1.180 410 G CA 1.113 46.217 45.100 0.007 0.000 0.774 410 G HN 0.343 nan 8.290 nan 0.000 0.562 411 K N -0.059 120.345 120.400 0.006 0.000 2.044 411 K HA -0.068 4.254 4.320 0.004 0.000 0.210 411 K C 2.580 179.184 176.600 0.006 0.000 1.049 411 K CA 1.341 57.631 56.287 0.005 0.000 0.927 411 K CB -0.326 32.177 32.500 0.005 0.000 0.713 411 K HN 0.352 nan 8.250 nan 0.000 0.443 412 L N 0.753 121.981 121.223 0.009 0.000 2.046 412 L HA -0.207 4.136 4.340 0.004 0.000 0.208 412 L C 2.402 179.277 176.870 0.009 0.000 1.077 412 L CA 1.081 55.927 54.840 0.010 0.000 0.747 412 L CB -0.380 41.687 42.059 0.013 0.000 0.896 412 L HN 0.233 nan 8.230 nan 0.000 0.432 413 L N -0.664 120.566 121.223 0.010 0.000 2.017 413 L HA -0.215 4.128 4.340 0.004 0.000 0.208 413 L C 2.905 179.778 176.870 0.004 0.000 1.073 413 L CA 1.205 56.050 54.840 0.009 0.000 0.745 413 L CB -0.830 41.236 42.059 0.012 0.000 0.894 413 L HN 0.259 nan 8.230 nan 0.000 0.432 414 A N 0.614 123.436 122.820 0.004 0.000 1.849 414 A HA -0.219 4.103 4.320 0.004 0.000 0.217 414 A C 2.184 179.769 177.584 0.001 0.000 1.202 414 A CA 1.759 53.797 52.037 0.002 0.000 0.629 414 A CB -1.055 17.946 19.000 0.002 0.000 0.834 414 A HN 0.386 nan 8.150 nan 0.000 0.447 415 L N -1.304 119.920 121.223 0.003 0.000 2.263 415 L HA -0.191 4.151 4.340 0.004 0.000 0.216 415 L C 2.661 179.532 176.870 0.002 0.000 1.111 415 L CA 1.577 56.419 54.840 0.002 0.000 0.773 415 L CB -0.488 41.573 42.059 0.004 0.000 0.906 415 L HN 0.422 nan 8.230 nan 0.000 0.439 416 R N 0.014 120.515 120.500 0.002 0.000 2.236 416 R HA -0.003 4.339 4.340 0.004 0.000 0.208 416 R C 1.361 177.659 176.300 -0.003 0.000 1.036 416 R CA 0.798 56.898 56.100 0.000 0.000 1.001 416 R CB 0.180 30.481 30.300 0.001 0.000 0.896 416 R HN 0.411 nan 8.270 nan 0.000 0.464 417 G N -0.356 108.442 108.800 -0.003 0.000 2.184 417 G HA2 -0.236 3.726 3.960 0.004 0.000 0.206 417 G HA3 -0.236 3.726 3.960 0.004 0.000 0.206 417 G C -0.279 174.617 174.900 -0.006 0.000 0.995 417 G CA -0.261 44.837 45.100 -0.004 0.000 0.651 417 G HN 0.366 nan 8.290 nan 0.000 0.511 418 Q N 0.271 120.068 119.800 -0.006 0.000 2.260 418 Q HA 0.554 4.896 4.340 0.004 0.000 0.238 418 Q C -0.052 175.945 176.000 -0.005 0.000 0.948 418 Q CA -0.316 55.483 55.803 -0.007 0.000 0.895 418 Q CB 1.190 29.924 28.738 -0.007 0.000 1.218 418 Q HN 0.501 nan 8.270 nan 0.000 0.470 419 E N 0.545 120.741 120.200 -0.006 0.000 2.277 419 E HA 0.504 4.856 4.350 0.004 0.000 0.274 419 E C -1.234 175.364 176.600 -0.004 0.000 1.022 419 E CA -0.436 55.961 56.400 -0.005 0.000 0.853 419 E CB 1.923 31.619 29.700 -0.007 0.000 1.086 419 E HN 0.211 nan 8.360 nan 0.000 0.397 420 V N 1.223 121.135 119.914 -0.003 0.000 3.225 420 V HA 0.645 4.768 4.120 0.004 0.000 0.293 420 V C -1.841 174.251 176.094 -0.003 0.000 1.405 420 V CA -0.264 62.035 62.300 -0.001 0.000 1.038 420 V CB 2.426 34.251 31.823 0.003 0.000 1.123 420 V HN 0.885 nan 8.190 nan 0.000 0.447 421 S N 4.027 119.724 115.700 -0.004 0.000 2.552 421 S HA 0.730 5.202 4.470 0.004 0.000 0.272 421 S C -1.835 172.760 174.600 -0.007 0.000 1.150 421 S CA -0.769 57.427 58.200 -0.007 0.000 0.849 421 S CB 1.430 64.623 63.200 -0.012 0.000 1.113 421 S HN 0.884 nan 8.310 nan 0.000 0.458 422 L N 2.402 123.622 121.223 -0.006 0.000 2.276 422 L HA 0.724 5.066 4.340 0.004 0.000 0.286 422 L C 0.974 177.840 176.870 -0.008 0.000 1.061 422 L CA -0.001 54.837 54.840 -0.003 0.000 0.807 422 L CB 0.778 42.837 42.059 0.001 0.000 1.177 422 L HN 1.053 nan 8.230 nan 0.000 0.429 423 A N 5.269 128.080 122.820 -0.014 0.000 2.507 423 A HA 0.434 4.756 4.320 0.004 0.000 0.235 423 A C 0.301 177.885 177.584 0.000 0.000 1.070 423 A CA 0.037 52.058 52.037 -0.027 0.000 0.768 423 A CB 0.142 19.111 19.000 -0.051 0.000 1.011 423 A HN 0.727 nan 8.150 nan 0.000 0.502 424 R N -0.053 120.438 120.500 -0.015 0.000 2.670 424 R HA 0.354 4.697 4.340 0.004 0.000 0.289 424 R C -1.156 175.153 176.300 0.015 0.000 0.965 424 R CA -0.669 55.445 56.100 0.023 0.000 0.899 424 R CB 1.659 31.963 30.300 0.007 0.000 1.173 424 R HN 0.670 nan 8.270 nan 0.000 0.456 425 F N 1.766 121.682 119.950 -0.056 0.000 2.578 425 F HA 0.136 4.666 4.527 0.005 0.000 0.381 425 F C 1.277 176.994 175.800 -0.138 0.000 1.069 425 F CA 2.153 60.105 58.000 -0.079 0.000 1.231 425 F CB 0.421 39.430 39.000 0.015 0.000 1.086 425 F HN 0.895 nan 8.300 nan 0.000 0.564 426 G N 4.213 112.437 108.800 -0.959 0.000 2.900 426 G HA2 -0.305 3.658 3.960 0.004 0.000 0.223 426 G HA3 -0.305 3.658 3.960 0.004 0.000 0.223 426 G C 0.269 174.923 174.900 -0.411 0.000 1.293 426 G CA 0.093 44.764 45.100 -0.716 0.000 0.792 426 G HN 0.638 nan 8.290 nan 0.000 0.527 427 E N 2.440 122.496 120.200 -0.241 0.000 2.271 427 E HA 0.417 4.769 4.350 0.004 0.000 0.255 427 E C 1.128 177.622 176.600 -0.176 0.000 1.177 427 E CA 0.045 56.354 56.400 -0.151 0.000 0.946 427 E CB 0.241 29.891 29.700 -0.084 0.000 1.009 427 E HN 0.614 nan 8.360 nan 0.000 0.451 428 G N 2.085 110.790 108.800 -0.159 0.000 2.606 428 G HA2 0.315 4.278 3.960 0.004 0.000 0.252 428 G HA3 0.315 4.278 3.960 0.004 0.000 0.252 428 G C -0.301 174.542 174.900 -0.094 0.000 1.206 428 G CA -0.489 44.527 45.100 -0.141 0.000 0.861 428 G HN 0.327 nan 8.290 nan 0.000 0.561 429 V N 2.154 122.017 119.914 -0.084 0.000 2.656 429 V HA 0.425 4.548 4.120 0.004 0.000 0.307 429 V C -2.070 173.998 176.094 -0.043 0.000 1.051 429 V CA -1.609 60.655 62.300 -0.059 0.000 0.893 429 V CB 2.307 34.094 31.823 -0.059 0.000 0.999 429 V HN 0.715 nan 8.190 nan 0.000 0.426 430 P HA 0.234 nan 4.420 nan 0.000 0.276 430 P C -0.118 177.173 177.300 -0.015 0.000 1.243 430 P CA 0.173 63.260 63.100 -0.021 0.000 0.768 430 P CB 1.479 33.169 31.700 -0.017 0.000 0.856 431 V N 0.000 119.908 119.914 -0.010 0.000 2.409 431 V HA 0.000 4.122 4.120 0.004 0.000 0.244 431 V CA 0.000 62.299 62.300 -0.001 0.000 1.235 431 V CB 0.000 31.827 31.823 0.007 0.000 1.184 431 V HN 0.000 nan 8.190 nan 0.000 0.556