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 1r37_1_A DATA FIRST_RESID 1 DATA SEQUENCE MRAVRLVEIG KPLSLQEIGV PKPKGPQVLI KVEAAGVCHS DVHMRQGRFG DATA SEQUENCE NLRIVEDLGV KLPVTLGHEI AGKIEEVGDE VVGYSKGDLV AVNPWQGEGN DATA SEQUENCE CYYCRIGEEH LCDSPRWLGI NFDGAYAEYV IVPHYKYMYK LRRLNAVEAA DATA SEQUENCE PLTCSGITTY RAVRKASLDP TKTLLVVGAG GGLGTMAVQI AKAVSGATII DATA SEQUENCE GVDVREEAVE AAKRAGADYV INASMQDPLA EIRRITESKG VDAVIDLNNS DATA SEQUENCE EKTLSVYPKA LAKQGKYVMV GLFGADLHYH APLITLSEIQ FVGSLVGNQS DATA SEQUENCE DFLGIMRLAE AGKVKPMITK TMKLEEANEA IDNLENFKAI GRQVLIP 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 0.000 176.348 176.300 0.080 0.000 1.140 1 M CA 0.000 55.372 55.300 0.119 0.000 0.988 1 M CB 0.000 32.731 32.600 0.219 0.000 1.302 2 R N 1.180 121.719 120.500 0.064 0.000 2.441 2 R HA 0.877 5.217 4.340 -0.000 0.000 0.284 2 R C -0.639 175.690 176.300 0.049 0.000 1.070 2 R CA -0.215 55.910 56.100 0.042 0.000 1.047 2 R CB 1.532 31.846 30.300 0.022 0.000 1.016 2 R HN 0.804 nan 8.270 nan 0.000 0.477 3 A N 1.888 124.737 122.820 0.048 0.000 2.547 3 A HA 0.448 4.768 4.320 -0.000 0.000 0.297 3 A C -1.162 176.462 177.584 0.066 0.000 1.056 3 A CA -0.707 51.370 52.037 0.066 0.000 0.688 3 A CB 1.789 20.831 19.000 0.070 0.000 1.282 3 A HN 0.413 nan 8.150 nan 0.000 0.400 4 V N 3.314 123.290 119.914 0.102 0.000 2.333 4 V HA 0.496 4.616 4.120 -0.000 0.000 0.274 4 V C 0.114 176.295 176.094 0.145 0.000 1.028 4 V CA -0.237 62.126 62.300 0.105 0.000 0.851 4 V CB 0.618 32.494 31.823 0.088 0.000 1.000 4 V HN 0.909 nan 8.190 nan 0.000 0.456 5 R N 3.923 124.478 120.500 0.093 0.000 2.854 5 R HA 0.657 4.997 4.340 -0.000 0.000 0.271 5 R C -1.138 175.201 176.300 0.064 0.000 0.996 5 R CA -1.181 54.966 56.100 0.079 0.000 0.961 5 R CB 2.065 32.396 30.300 0.052 0.000 1.182 5 R HN 0.484 nan 8.270 nan 0.000 0.479 6 L N 2.470 123.728 121.223 0.058 0.000 2.342 6 L HA 0.147 4.487 4.340 -0.000 0.000 0.285 6 L C 0.079 176.966 176.870 0.030 0.000 1.095 6 L CA 0.351 55.218 54.840 0.045 0.000 0.843 6 L CB 1.146 43.234 42.059 0.049 0.000 1.201 6 L HN 0.625 nan 8.230 nan 0.000 0.445 7 V N 3.572 123.499 119.914 0.022 0.000 2.795 7 V HA 0.229 4.349 4.120 -0.000 0.000 0.243 7 V C 0.661 176.760 176.094 0.009 0.000 1.069 7 V CA 0.514 62.823 62.300 0.014 0.000 1.089 7 V CB -0.113 31.718 31.823 0.012 0.000 0.756 7 V HN 0.830 nan 8.190 nan 0.000 0.471 8 E N 0.214 120.419 120.200 0.009 0.000 2.290 8 E HA 0.310 4.660 4.350 -0.000 0.000 0.274 8 E C -1.265 175.337 176.600 0.003 0.000 0.889 8 E CA -0.753 55.650 56.400 0.005 0.000 0.760 8 E CB 1.790 31.491 29.700 0.002 0.000 1.206 8 E HN 0.032 nan 8.360 nan 0.000 0.419 9 I N 3.408 123.979 120.570 0.002 0.000 2.683 9 I HA 0.107 4.277 4.170 -0.000 0.000 0.286 9 I C 1.517 177.630 176.117 -0.007 0.000 1.175 9 I CA 1.642 62.940 61.300 -0.003 0.000 1.429 9 I CB -0.052 37.947 38.000 -0.002 0.000 1.371 9 I HN 0.985 nan 8.210 nan 0.000 0.569 10 G N 5.305 114.098 108.800 -0.013 0.000 2.159 10 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.256 10 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.256 10 G C 0.356 175.246 174.900 -0.016 0.000 0.977 10 G CA -0.150 44.940 45.100 -0.016 0.000 0.652 10 G HN 0.497 nan 8.290 nan 0.000 0.531 11 K N 0.103 120.496 120.400 -0.012 0.000 2.295 11 K HA 0.607 4.927 4.320 -0.000 0.000 0.239 11 K C -2.647 173.946 176.600 -0.011 0.000 0.991 11 K CA -2.140 54.140 56.287 -0.011 0.000 0.845 11 K CB 1.330 33.826 32.500 -0.006 0.000 1.197 11 K HN -0.037 nan 8.250 nan 0.000 0.441 12 P HA 0.130 nan 4.420 nan 0.000 0.269 12 P C -0.088 177.211 177.300 -0.002 0.000 1.209 12 P CA -0.197 62.895 63.100 -0.014 0.000 0.776 12 P CB 0.404 32.094 31.700 -0.018 0.000 0.876 13 L N 0.959 122.186 121.223 0.006 0.000 2.499 13 L HA 0.085 4.425 4.340 -0.000 0.000 0.281 13 L C 0.967 177.848 176.870 0.017 0.000 1.234 13 L CA 0.574 55.430 54.840 0.027 0.000 0.839 13 L CB 0.018 42.109 42.059 0.054 0.000 1.104 13 L HN 0.391 nan 8.230 nan 0.000 0.500 14 S N 2.104 117.819 115.700 0.025 0.000 2.449 14 S HA 0.398 4.868 4.470 -0.000 0.000 0.310 14 S C -0.633 173.980 174.600 0.022 0.000 1.096 14 S CA -0.799 57.411 58.200 0.017 0.000 1.095 14 S CB 1.093 64.302 63.200 0.015 0.000 1.007 14 S HN 0.393 nan 8.310 nan 0.000 0.474 15 L N 6.142 127.371 121.223 0.011 0.000 2.342 15 L HA 0.402 4.742 4.340 -0.000 0.000 0.285 15 L C -0.070 176.809 176.870 0.015 0.000 1.095 15 L CA 0.788 55.635 54.840 0.012 0.000 0.843 15 L CB 0.174 42.232 42.059 -0.001 0.000 1.201 15 L HN 0.722 nan 8.230 nan 0.000 0.445 16 Q N 2.766 122.579 119.800 0.023 0.000 2.378 16 Q HA 0.471 4.811 4.340 -0.000 0.000 0.276 16 Q C -1.035 174.980 176.000 0.025 0.000 1.083 16 Q CA -0.961 54.855 55.803 0.021 0.000 0.856 16 Q CB 2.206 30.958 28.738 0.022 0.000 1.383 16 Q HN 0.423 nan 8.270 nan 0.000 0.458 17 E N 1.943 122.156 120.200 0.022 0.000 2.114 17 E HA 0.434 4.784 4.350 -0.000 0.000 0.266 17 E C -1.326 175.289 176.600 0.026 0.000 0.896 17 E CA -0.356 56.060 56.400 0.026 0.000 0.750 17 E CB 0.560 30.273 29.700 0.020 0.000 1.121 17 E HN 0.528 nan 8.360 nan 0.000 0.413 18 I N 0.348 120.938 120.570 0.034 0.000 3.145 18 I HA 0.847 5.017 4.170 -0.000 0.000 0.313 18 I C 0.479 176.614 176.117 0.030 0.000 1.122 18 I CA -1.583 59.734 61.300 0.028 0.000 0.987 18 I CB 1.937 39.955 38.000 0.029 0.000 1.236 18 I HN 0.500 nan 8.210 nan 0.000 0.453 19 G N 1.741 110.552 108.800 0.018 0.000 2.544 19 G HA2 0.436 4.396 3.960 -0.000 0.000 0.242 19 G HA3 0.436 4.396 3.960 -0.000 0.000 0.242 19 G C -0.366 174.540 174.900 0.010 0.000 1.247 19 G CA -0.430 44.676 45.100 0.009 0.000 0.840 19 G HN 0.488 nan 8.290 nan 0.000 0.578 20 V N 3.826 123.730 119.914 -0.017 0.000 2.432 20 V HA 0.171 4.291 4.120 -0.000 0.000 0.271 20 V C -1.461 174.601 176.094 -0.054 0.000 1.046 20 V CA -1.043 61.227 62.300 -0.051 0.000 0.945 20 V CB 0.897 32.615 31.823 -0.175 0.000 0.992 20 V HN 0.615 nan 8.190 nan 0.000 0.471 21 P HA 0.258 nan 4.420 nan 0.000 0.269 21 P C -0.695 176.583 177.300 -0.036 0.000 1.215 21 P CA -0.543 62.548 63.100 -0.015 0.000 0.780 21 P CB 0.476 32.185 31.700 0.015 0.000 0.898 22 K N 3.565 123.950 120.400 -0.025 0.000 2.263 22 K HA 0.338 4.658 4.320 -0.000 0.000 0.272 22 K C -2.524 174.067 176.600 -0.014 0.000 1.033 22 K CA -2.510 53.760 56.287 -0.029 0.000 0.884 22 K CB 0.320 32.805 32.500 -0.026 0.000 1.107 22 K HN 0.221 nan 8.250 nan 0.000 0.460 23 P HA 0.102 nan 4.420 nan 0.000 0.276 23 P C -1.238 176.056 177.300 -0.009 0.000 1.235 23 P CA -0.109 62.986 63.100 -0.007 0.000 0.772 23 P CB 0.736 32.429 31.700 -0.011 0.000 0.871 24 K N 1.837 122.236 120.400 -0.002 0.000 2.443 24 K HA 0.612 4.932 4.320 -0.000 0.000 0.251 24 K C 0.570 177.168 176.600 -0.004 0.000 0.972 24 K CA -0.258 56.028 56.287 -0.003 0.000 0.833 24 K CB 1.253 33.755 32.500 0.004 0.000 1.317 24 K HN 0.641 nan 8.250 nan 0.000 0.441 25 G N 2.168 110.964 108.800 -0.006 0.000 2.596 25 G HA2 -0.291 3.669 3.960 -0.000 0.000 0.304 25 G HA3 -0.291 3.669 3.960 -0.000 0.000 0.304 25 G C -1.691 173.195 174.900 -0.023 0.000 1.189 25 G CA 0.339 45.435 45.100 -0.006 0.000 0.986 25 G HN 0.595 nan 8.290 nan 0.000 0.548 26 P HA 0.155 nan 4.420 nan 0.000 0.261 26 P C 0.457 177.740 177.300 -0.029 0.000 1.268 26 P CA 0.314 63.372 63.100 -0.070 0.000 0.833 26 P CB 0.154 31.586 31.700 -0.447 0.000 1.231 27 Q N -0.030 119.757 119.800 -0.022 0.000 2.443 27 Q HA 0.398 4.738 4.340 -0.000 0.000 0.232 27 Q C -0.363 175.640 176.000 0.005 0.000 1.026 27 Q CA -0.142 55.663 55.803 0.003 0.000 0.924 27 Q CB 1.122 29.865 28.738 0.009 0.000 1.256 27 Q HN -0.101 nan 8.270 nan 0.000 0.519 28 V N 1.814 121.733 119.914 0.007 0.000 2.733 28 V HA 0.252 4.372 4.120 -0.000 0.000 0.306 28 V C -1.231 174.865 176.094 0.005 0.000 1.084 28 V CA -0.823 61.471 62.300 -0.010 0.000 0.905 28 V CB 1.865 33.663 31.823 -0.042 0.000 1.010 28 V HN 0.528 nan 8.190 nan 0.000 0.424 29 L N 6.017 127.246 121.223 0.011 0.000 2.257 29 L HA 0.589 4.929 4.340 -0.000 0.000 0.290 29 L C -0.628 176.291 176.870 0.081 0.000 1.044 29 L CA 0.236 55.101 54.840 0.043 0.000 0.810 29 L CB 0.688 42.754 42.059 0.011 0.000 1.193 29 L HN 0.422 nan 8.230 nan 0.000 0.425 30 I N 4.922 125.557 120.570 0.109 0.000 2.377 30 I HA 0.299 4.469 4.170 -0.000 0.000 0.293 30 I C 0.110 176.323 176.117 0.161 0.000 0.987 30 I CA -0.585 60.777 61.300 0.104 0.000 1.185 30 I CB 1.573 39.602 38.000 0.048 0.000 1.341 30 I HN 0.627 nan 8.210 nan 0.000 0.455 31 K N 6.130 126.601 120.400 0.120 0.000 2.284 31 K HA 0.346 4.666 4.320 -0.000 0.000 0.287 31 K C -0.832 175.710 176.600 -0.097 0.000 1.081 31 K CA -0.435 55.814 56.287 -0.063 0.000 0.910 31 K CB 0.750 33.236 32.500 -0.024 0.000 1.088 31 K HN 0.378 nan 8.250 nan 0.000 0.478 32 V N 5.118 124.944 119.914 -0.147 0.000 2.540 32 V HA -0.027 4.093 4.120 -0.000 0.000 0.297 32 V C 0.904 176.954 176.094 -0.074 0.000 1.024 32 V CA 0.430 62.684 62.300 -0.077 0.000 1.105 32 V CB 0.938 32.726 31.823 -0.059 0.000 0.938 32 V HN 0.871 nan 8.190 nan 0.000 0.482 33 E N 3.021 123.202 120.200 -0.033 0.000 2.490 33 E HA 0.428 4.778 4.350 -0.000 0.000 0.209 33 E C 0.383 176.976 176.600 -0.012 0.000 0.971 33 E CA 0.520 56.905 56.400 -0.025 0.000 0.988 33 E CB 1.414 31.109 29.700 -0.007 0.000 1.029 33 E HN 0.766 nan 8.360 nan 0.000 0.496 34 A N 0.551 123.370 122.820 -0.002 0.000 2.565 34 A HA 0.705 5.025 4.320 -0.000 0.000 0.298 34 A C -1.553 176.046 177.584 0.026 0.000 1.062 34 A CA -0.110 51.932 52.037 0.008 0.000 0.723 34 A CB 1.480 20.488 19.000 0.013 0.000 1.282 34 A HN 0.008 nan 8.150 nan 0.000 0.400 35 A N 1.473 124.317 122.820 0.041 0.000 2.457 35 A HA 0.734 5.054 4.320 -0.000 0.000 0.283 35 A C 0.363 178.010 177.584 0.104 0.000 1.166 35 A CA 0.151 52.245 52.037 0.095 0.000 0.740 35 A CB 0.550 19.673 19.000 0.204 0.000 1.181 35 A HN 2.190 nan 8.150 nan 0.000 0.446 36 G N 0.537 109.376 108.800 0.064 0.000 2.544 36 G HA2 0.472 4.432 3.960 -0.000 0.000 0.242 36 G HA3 0.472 4.432 3.960 -0.000 0.000 0.242 36 G C -0.332 174.619 174.900 0.085 0.000 1.247 36 G CA -0.139 44.992 45.100 0.051 0.000 0.840 36 G HN 0.885 nan 8.290 nan 0.000 0.578 37 V N 1.462 121.422 119.914 0.077 0.000 2.347 37 V HA 0.315 4.435 4.120 -0.000 0.000 0.280 37 V C 0.239 176.381 176.094 0.080 0.000 1.021 37 V CA -0.913 61.453 62.300 0.111 0.000 0.847 37 V CB 0.867 32.719 31.823 0.048 0.000 0.990 37 V HN 0.888 nan 8.190 nan 0.000 0.444 38 C N 3.913 123.263 119.300 0.083 0.000 2.391 38 C HA 0.452 4.912 4.460 -0.000 0.000 0.339 38 C C 1.841 176.956 174.990 0.209 0.000 1.205 38 C CA -0.333 58.789 59.018 0.174 0.000 1.937 38 C CB 0.802 28.710 27.740 0.280 0.000 2.341 38 C HN 1.075 nan 8.230 nan 0.000 0.516 39 H N 1.492 120.648 119.070 0.143 0.000 2.543 39 H HA -0.048 4.508 4.556 -0.000 0.000 0.286 39 H C 1.942 177.279 175.328 0.016 0.000 1.037 39 H CA 1.848 57.930 56.048 0.057 0.000 1.250 39 H CB 0.566 30.411 29.762 0.138 0.000 1.373 39 H HN 0.723 nan 8.280 nan 0.000 0.580 40 S N -0.128 115.820 115.700 0.413 0.000 2.419 40 S HA -0.129 4.341 4.470 -0.000 0.000 0.233 40 S C 1.309 176.118 174.600 0.348 0.000 1.016 40 S CA 1.147 59.686 58.200 0.564 0.000 0.974 40 S CB -0.015 63.554 63.200 0.615 0.000 0.786 40 S HN 0.566 nan 8.310 nan 0.000 0.492 41 D N 0.890 121.435 120.400 0.242 0.000 2.312 41 D HA 0.006 4.646 4.640 -0.000 0.000 0.211 41 D C 1.785 178.075 176.300 -0.016 0.000 0.964 41 D CA 0.410 54.497 54.000 0.145 0.000 0.877 41 D CB -0.087 40.814 40.800 0.168 0.000 0.924 41 D HN 0.235 nan 8.370 nan 0.000 0.515 42 V N 1.257 121.065 119.914 -0.176 0.000 2.453 42 V HA -0.184 3.936 4.120 -0.000 0.000 0.247 42 V C 2.167 178.114 176.094 -0.246 0.000 1.048 42 V CA 1.331 63.444 62.300 -0.311 0.000 1.049 42 V CB -0.387 31.063 31.823 -0.622 0.000 0.672 42 V HN 0.277 nan 8.190 nan 0.000 0.457 43 H N -1.204 117.805 119.070 -0.102 0.000 2.395 43 H HA 0.010 4.566 4.556 -0.000 0.000 0.299 43 H C 2.361 177.438 175.328 -0.418 0.000 1.070 43 H CA 1.260 57.109 56.048 -0.332 0.000 1.356 43 H CB -0.278 29.095 29.762 -0.648 0.000 1.401 43 H HN 0.280 nan 8.280 nan 0.000 0.524 44 M N 0.422 119.919 119.600 -0.172 0.000 2.080 44 M HA -0.145 4.335 4.480 -0.000 0.000 0.260 44 M C 2.389 178.665 176.300 -0.040 0.000 1.068 44 M CA 1.177 56.436 55.300 -0.069 0.000 1.109 44 M CB -0.865 31.790 32.600 0.091 0.000 1.342 44 M HN 0.164 nan 8.290 nan 0.000 0.405 45 R N 0.249 120.729 120.500 -0.033 0.000 2.120 45 R HA -0.154 4.186 4.340 -0.000 0.000 0.234 45 R C 1.932 178.208 176.300 -0.040 0.000 1.123 45 R CA 1.305 57.389 56.100 -0.026 0.000 0.975 45 R CB 0.030 30.311 30.300 -0.033 0.000 0.866 45 R HN 0.517 nan 8.270 nan 0.000 0.446 46 Q N -1.345 118.419 119.800 -0.060 0.000 2.432 46 Q HA 0.089 4.429 4.340 -0.000 0.000 0.205 46 Q C 0.790 176.761 176.000 -0.048 0.000 0.945 46 Q CA 0.586 56.360 55.803 -0.049 0.000 0.924 46 Q CB 0.793 29.507 28.738 -0.039 0.000 1.016 46 Q HN 0.616 nan 8.270 nan 0.000 0.503 47 G N 1.984 110.745 108.800 -0.064 0.000 2.143 47 G HA2 -0.308 3.652 3.960 -0.000 0.000 0.249 47 G HA3 -0.308 3.652 3.960 -0.000 0.000 0.249 47 G C -0.011 174.853 174.900 -0.059 0.000 0.981 47 G CA 0.450 45.523 45.100 -0.044 0.000 0.665 47 G HN 0.408 nan 8.290 nan 0.000 0.528 48 R N -2.324 118.084 120.500 -0.153 0.000 2.765 48 R HA 0.627 4.967 4.340 -0.000 0.000 0.277 48 R C -1.744 174.355 176.300 -0.335 0.000 1.028 48 R CA -1.215 54.804 56.100 -0.136 0.000 0.860 48 R CB 0.399 30.686 30.300 -0.021 0.000 1.270 48 R HN 0.230 nan 8.270 nan 0.000 0.484 49 F N 1.380 121.342 119.950 0.021 0.000 2.430 49 F HA 0.563 5.090 4.527 -0.000 0.000 0.362 49 F C 1.198 176.971 175.800 -0.045 0.000 1.103 49 F CA 0.726 58.682 58.000 -0.072 0.000 1.045 49 F CB 1.641 40.618 39.000 -0.039 0.000 1.276 49 F HN 1.080 nan 8.300 nan 0.000 0.444 50 G N 3.452 112.292 108.800 0.067 0.000 2.556 50 G HA2 -0.357 3.603 3.960 -0.000 0.000 0.283 50 G HA3 -0.357 3.603 3.960 -0.000 0.000 0.283 50 G C 0.651 175.588 174.900 0.061 0.000 1.177 50 G CA 0.338 45.480 45.100 0.070 0.000 0.978 50 G HN 0.812 nan 8.290 nan 0.000 0.554 51 N N 0.528 119.266 118.700 0.062 0.000 2.279 51 N HA 0.248 4.988 4.740 -0.000 0.000 0.226 51 N C 0.275 175.821 175.510 0.060 0.000 1.126 51 N CA -0.182 52.898 53.050 0.050 0.000 0.846 51 N CB 0.362 38.873 38.487 0.039 0.000 1.050 51 N HN 0.474 nan 8.380 nan 0.000 0.502 52 L N 1.935 123.213 121.223 0.091 0.000 2.287 52 L HA 0.346 4.686 4.340 -0.000 0.000 0.280 52 L C 0.141 177.088 176.870 0.127 0.000 1.055 52 L CA -0.675 54.229 54.840 0.108 0.000 0.863 52 L CB 0.584 42.724 42.059 0.136 0.000 1.245 52 L HN -0.047 nan 8.230 nan 0.000 0.432 53 R N 2.696 123.245 120.500 0.082 0.000 2.449 53 R HA 0.045 4.385 4.340 -0.000 0.000 0.296 53 R C 1.607 177.964 176.300 0.095 0.000 1.047 53 R CA -0.080 56.061 56.100 0.069 0.000 1.018 53 R CB 0.678 31.003 30.300 0.042 0.000 0.962 53 R HN 0.686 nan 8.270 nan 0.000 0.428 54 I N 0.345 120.982 120.570 0.111 0.000 2.454 54 I HA -0.197 3.973 4.170 -0.000 0.000 0.254 54 I C 1.124 177.293 176.117 0.086 0.000 1.156 54 I CA 1.155 62.542 61.300 0.145 0.000 1.433 54 I CB -0.085 38.016 38.000 0.170 0.000 1.082 54 I HN 0.289 nan 8.210 nan 0.000 0.432 55 V N 1.606 121.553 119.914 0.055 0.000 2.278 55 V HA -0.114 4.006 4.120 -0.000 0.000 0.238 55 V C 2.508 178.616 176.094 0.024 0.000 1.039 55 V CA 1.881 64.201 62.300 0.033 0.000 1.017 55 V CB -0.630 31.206 31.823 0.022 0.000 0.657 55 V HN 0.305 nan 8.190 nan 0.000 0.462 56 E N 0.402 120.616 120.200 0.023 0.000 2.106 56 E HA -0.159 4.191 4.350 -0.000 0.000 0.192 56 E C 1.802 178.412 176.600 0.017 0.000 0.984 56 E CA 1.383 57.793 56.400 0.017 0.000 0.806 56 E CB -0.126 29.583 29.700 0.015 0.000 0.750 56 E HN 0.574 nan 8.360 nan 0.000 0.458 57 D N -0.769 119.648 120.400 0.029 0.000 2.277 57 D HA 0.022 4.662 4.640 -0.000 0.000 0.209 57 D C 1.143 177.455 176.300 0.020 0.000 0.970 57 D CA 0.551 54.567 54.000 0.027 0.000 0.874 57 D CB 0.382 41.206 40.800 0.041 0.000 0.982 57 D HN 0.111 nan 8.370 nan 0.000 0.504 58 L N -0.684 120.559 121.223 0.034 0.000 2.664 58 L HA 0.321 4.661 4.340 -0.000 0.000 0.233 58 L C 1.503 178.367 176.870 -0.011 0.000 1.113 58 L CA 0.368 55.216 54.840 0.013 0.000 0.896 58 L CB 0.267 42.364 42.059 0.063 0.000 1.163 58 L HN 0.096 nan 8.230 nan 0.000 0.497 59 G N -0.251 108.549 108.800 0.001 0.000 2.143 59 G HA2 -0.243 3.717 3.960 -0.000 0.000 0.249 59 G HA3 -0.243 3.717 3.960 -0.000 0.000 0.249 59 G C 0.286 175.182 174.900 -0.006 0.000 0.981 59 G CA 0.130 45.224 45.100 -0.011 0.000 0.665 59 G HN 0.098 nan 8.290 nan 0.000 0.528 60 V N 0.398 120.323 119.914 0.019 0.000 2.529 60 V HA 0.390 4.510 4.120 -0.000 0.000 0.292 60 V C 0.629 176.725 176.094 0.003 0.000 1.028 60 V CA 0.227 62.542 62.300 0.026 0.000 1.074 60 V CB 1.328 33.195 31.823 0.073 0.000 0.958 60 V HN 0.273 nan 8.190 nan 0.000 0.481 61 K N 5.252 125.636 120.400 -0.025 0.000 2.240 61 K HA 0.561 4.881 4.320 -0.000 0.000 0.271 61 K C -0.611 175.971 176.600 -0.030 0.000 1.018 61 K CA -0.158 56.108 56.287 -0.035 0.000 0.874 61 K CB 1.099 33.560 32.500 -0.065 0.000 1.098 61 K HN 0.521 nan 8.250 nan 0.000 0.458 62 L N 4.968 126.183 121.223 -0.014 0.000 2.395 62 L HA 0.461 4.801 4.340 -0.000 0.000 0.269 62 L C -1.435 175.426 176.870 -0.015 0.000 1.133 62 L CA -1.814 53.022 54.840 -0.007 0.000 0.812 62 L CB 0.523 42.584 42.059 0.003 0.000 1.125 62 L HN 0.545 nan 8.230 nan 0.000 0.452 63 P HA 0.315 nan 4.420 nan 0.000 0.279 63 P C -1.260 176.038 177.300 -0.005 0.000 1.252 63 P CA -0.341 62.758 63.100 -0.001 0.000 0.811 63 P CB 2.453 34.155 31.700 0.003 0.000 1.035 64 V N 0.840 120.761 119.914 0.012 0.000 2.851 64 V HA 0.277 4.396 4.120 -0.000 0.000 0.307 64 V C -0.483 175.630 176.094 0.033 0.000 1.129 64 V CA -0.392 61.917 62.300 0.015 0.000 0.932 64 V CB 2.323 34.159 31.823 0.022 0.000 1.024 64 V HN 0.696 nan 8.190 nan 0.000 0.426 65 T N 7.572 122.145 114.554 0.033 0.000 2.851 65 T HA 0.438 4.788 4.350 -0.000 0.000 0.298 65 T C -0.072 174.624 174.700 -0.007 0.000 0.977 65 T CA 0.041 62.166 62.100 0.040 0.000 1.126 65 T CB 0.686 69.584 68.868 0.049 0.000 0.916 65 T HN 0.390 nan 8.240 nan 0.000 0.529 66 L N 1.973 123.161 121.223 -0.058 0.000 2.488 66 L HA 0.706 5.045 4.340 -0.000 0.000 0.249 66 L C 1.090 177.488 176.870 -0.787 0.000 1.151 66 L CA 0.297 54.972 54.840 -0.274 0.000 0.806 66 L CB 0.120 42.058 42.059 -0.202 0.000 1.261 66 L HN 0.973 nan 8.230 nan 0.000 0.484 67 G N 0.043 108.255 108.800 -0.981 0.000 3.017 67 G HA2 -0.070 3.890 3.960 -0.000 0.000 0.680 67 G HA3 -0.070 3.890 3.960 -0.000 0.000 0.680 67 G C -0.168 174.492 174.900 -0.400 0.000 1.179 67 G CA -0.005 44.470 45.100 -1.042 0.000 1.142 67 G HN 1.049 nan 8.290 nan 0.000 0.489 68 H N 0.023 118.957 119.070 -0.226 0.000 2.674 68 H HA 0.319 4.875 4.556 -0.000 0.000 0.274 68 H C -0.069 175.159 175.328 -0.167 0.000 1.121 68 H CA 0.089 55.991 56.048 -0.242 0.000 1.132 68 H CB 1.061 30.659 29.762 -0.274 0.000 1.606 68 H HN 0.530 nan 8.280 nan 0.000 0.558 69 E N 2.193 122.267 120.200 -0.210 0.000 2.063 69 E HA 0.418 4.768 4.350 -0.000 0.000 0.265 69 E C -0.601 175.978 176.600 -0.035 0.000 0.919 69 E CA -0.377 55.990 56.400 -0.055 0.000 0.756 69 E CB 1.765 31.449 29.700 -0.028 0.000 1.120 69 E HN 0.346 nan 8.360 nan 0.000 0.414 70 I N 1.972 122.526 120.570 -0.026 0.000 2.433 70 I HA 0.641 4.811 4.170 -0.000 0.000 0.292 70 I C -0.325 175.813 176.117 0.033 0.000 1.001 70 I CA -0.844 60.449 61.300 -0.012 0.000 1.119 70 I CB 1.886 39.852 38.000 -0.057 0.000 1.289 70 I HN 0.397 nan 8.210 nan 0.000 0.438 71 A N 4.169 127.010 122.820 0.035 0.000 2.488 71 A HA 0.952 5.272 4.320 -0.000 0.000 0.298 71 A C -0.517 177.088 177.584 0.035 0.000 1.044 71 A CA -0.309 51.759 52.037 0.052 0.000 0.693 71 A CB 1.834 20.866 19.000 0.053 0.000 1.272 71 A HN 0.935 nan 8.150 nan 0.000 0.402 72 G N 0.475 109.300 108.800 0.043 0.000 2.489 72 G HA2 0.534 4.493 3.960 -0.000 0.000 0.305 72 G HA3 0.534 4.493 3.960 -0.000 0.000 0.305 72 G C -1.551 173.373 174.900 0.040 0.000 1.311 72 G CA -0.606 44.511 45.100 0.028 0.000 0.813 72 G HN 0.721 nan 8.290 nan 0.000 0.480 73 K N 0.331 120.752 120.400 0.035 0.000 2.206 73 K HA 0.564 4.884 4.320 -0.000 0.000 0.264 73 K C -0.165 176.472 176.600 0.061 0.000 0.967 73 K CA -0.726 55.590 56.287 0.049 0.000 0.844 73 K CB 1.259 33.785 32.500 0.042 0.000 1.099 73 K HN 0.371 nan 8.250 nan 0.000 0.441 74 I N 4.208 124.814 120.570 0.060 0.000 2.581 74 I HA -0.088 4.082 4.170 -0.000 0.000 0.285 74 I C 1.140 177.299 176.117 0.069 0.000 1.129 74 I CA 0.260 61.591 61.300 0.052 0.000 1.397 74 I CB 0.907 38.936 38.000 0.048 0.000 1.399 74 I HN 0.802 nan 8.210 nan 0.000 0.537 75 E N 5.668 125.918 120.200 0.083 0.000 2.079 75 E HA 0.075 4.425 4.350 -0.000 0.000 0.191 75 E C 0.179 176.801 176.600 0.036 0.000 0.961 75 E CA 0.813 57.267 56.400 0.089 0.000 0.823 75 E CB 0.459 30.252 29.700 0.154 0.000 0.789 75 E HN 0.645 nan 8.360 nan 0.000 0.459 76 E N -0.388 119.823 120.200 0.017 0.000 2.372 76 E HA 0.439 4.789 4.350 -0.000 0.000 0.279 76 E C -1.440 175.153 176.600 -0.011 0.000 0.946 76 E CA -0.793 55.604 56.400 -0.005 0.000 0.769 76 E CB 1.925 31.609 29.700 -0.027 0.000 1.230 76 E HN 0.029 nan 8.360 nan 0.000 0.442 77 V N 0.399 120.303 119.914 -0.018 0.000 2.919 77 V HA 0.918 5.038 4.120 -0.000 0.000 0.316 77 V C 0.452 176.524 176.094 -0.037 0.000 1.077 77 V CA -0.121 62.160 62.300 -0.032 0.000 0.977 77 V CB 1.366 33.163 31.823 -0.043 0.000 1.039 77 V HN 0.711 nan 8.190 nan 0.000 0.441 78 G N 0.603 109.377 108.800 -0.044 0.000 2.621 78 G HA2 0.317 4.277 3.960 -0.000 0.000 0.271 78 G HA3 0.317 4.277 3.960 -0.000 0.000 0.271 78 G C 0.118 174.988 174.900 -0.050 0.000 1.236 78 G CA 0.040 45.118 45.100 -0.038 0.000 0.958 78 G HN 0.820 nan 8.290 nan 0.000 0.512 79 D N -0.565 119.813 120.400 -0.036 0.000 2.264 79 D HA -0.054 4.586 4.640 -0.000 0.000 0.208 79 D C 2.077 178.349 176.300 -0.046 0.000 0.966 79 D CA 0.991 54.971 54.000 -0.035 0.000 0.864 79 D CB 0.250 41.039 40.800 -0.018 0.000 0.933 79 D HN 0.654 nan 8.370 nan 0.000 0.499 80 E N -0.038 120.131 120.200 -0.051 0.000 2.400 80 E HA 0.052 4.401 4.350 -0.000 0.000 0.195 80 E C 0.298 176.790 176.600 -0.179 0.000 1.012 80 E CA -0.112 56.259 56.400 -0.048 0.000 0.875 80 E CB 0.801 30.514 29.700 0.020 0.000 0.859 80 E HN -0.005 nan 8.360 nan 0.000 0.498 81 V N 2.280 122.019 119.914 -0.291 0.000 2.599 81 V HA -0.011 4.109 4.120 -0.000 0.000 0.300 81 V C 0.112 175.920 176.094 -0.477 0.000 1.034 81 V CA 0.310 62.222 62.300 -0.648 0.000 1.115 81 V CB 0.935 32.540 31.823 -0.363 0.000 0.934 81 V HN -0.084 nan 8.190 nan 0.000 0.485 82 V N 3.842 123.371 119.914 -0.641 0.000 2.525 82 V HA 0.805 4.924 4.120 -0.000 0.000 0.299 82 V C 0.642 176.652 176.094 -0.141 0.000 1.034 82 V CA 0.394 62.546 62.300 -0.245 0.000 0.863 82 V CB 1.224 32.973 31.823 -0.123 0.000 0.999 82 V HN 1.133 nan 8.190 nan 0.000 0.423 83 G N 3.887 112.603 108.800 -0.141 0.000 2.154 83 G HA2 -0.182 3.778 3.960 -0.000 0.000 0.186 83 G HA3 -0.182 3.778 3.960 -0.000 0.000 0.186 83 G C -0.587 173.966 174.900 -0.579 0.000 1.000 83 G CA -0.178 44.734 45.100 -0.313 0.000 0.664 83 G HN 0.627 nan 8.290 nan 0.000 0.513 84 Y N 0.188 120.454 120.300 -0.058 0.000 2.524 84 Y HA 0.720 5.270 4.550 -0.000 0.000 0.347 84 Y C 0.339 176.221 175.900 -0.031 0.000 1.005 84 Y CA -0.722 57.360 58.100 -0.031 0.000 1.025 84 Y CB 2.300 40.752 38.460 -0.014 0.000 1.275 84 Y HN 0.152 nan 8.280 nan 0.000 0.460 85 S N 1.018 116.801 115.700 0.138 0.000 2.600 85 S HA 0.398 4.868 4.470 -0.000 0.000 0.300 85 S C -0.978 173.672 174.600 0.083 0.000 1.087 85 S CA -1.258 56.987 58.200 0.075 0.000 0.965 85 S CB 1.720 64.941 63.200 0.036 0.000 1.089 85 S HN 0.523 nan 8.310 nan 0.000 0.496 86 K N 0.431 120.864 120.400 0.055 0.000 2.451 86 K HA 0.324 4.643 4.320 -0.000 0.000 0.280 86 K C 1.135 177.768 176.600 0.054 0.000 1.020 86 K CA 1.145 57.463 56.287 0.052 0.000 1.008 86 K CB -0.241 32.282 32.500 0.038 0.000 0.917 86 K HN 0.933 nan 8.250 nan 0.000 0.478 87 G N 3.317 112.153 108.800 0.060 0.000 2.279 87 G HA2 -0.210 3.750 3.960 -0.000 0.000 0.223 87 G HA3 -0.210 3.750 3.960 -0.000 0.000 0.223 87 G C -0.456 174.482 174.900 0.063 0.000 1.015 87 G CA 0.010 45.143 45.100 0.054 0.000 0.621 87 G HN 0.731 nan 8.290 nan 0.000 0.506 88 D N 0.970 121.420 120.400 0.083 0.000 2.533 88 D HA 0.326 4.966 4.640 -0.000 0.000 0.236 88 D C 0.460 176.821 176.300 0.102 0.000 1.137 88 D CA 0.111 54.173 54.000 0.105 0.000 0.867 88 D CB 1.270 42.175 40.800 0.175 0.000 1.170 88 D HN 0.307 nan 8.370 nan 0.000 0.474 89 L N 3.870 125.147 121.223 0.091 0.000 2.290 89 L HA 0.346 4.686 4.340 -0.000 0.000 0.284 89 L C -0.397 176.544 176.870 0.117 0.000 1.078 89 L CA -0.335 54.557 54.840 0.086 0.000 0.815 89 L CB 1.151 43.251 42.059 0.069 0.000 1.162 89 L HN 0.249 nan 8.230 nan 0.000 0.435 90 V N 2.296 122.280 119.914 0.117 0.000 3.078 90 V HA 1.003 5.123 4.120 -0.000 0.000 0.311 90 V C -0.439 175.753 176.094 0.163 0.000 1.138 90 V CA -0.517 61.880 62.300 0.161 0.000 1.007 90 V CB 1.351 33.256 31.823 0.137 0.000 1.045 90 V HN 0.993 nan 8.190 nan 0.000 0.432 91 A N 2.008 124.975 122.820 0.243 0.000 2.306 91 A HA 0.910 5.230 4.320 -0.000 0.000 0.330 91 A C -0.571 177.209 177.584 0.326 0.000 1.146 91 A CA -0.723 51.466 52.037 0.253 0.000 0.827 91 A CB 1.602 20.753 19.000 0.251 0.000 1.178 91 A HN 1.535 nan 8.150 nan 0.000 0.490 92 V N 2.626 122.664 119.914 0.207 0.000 2.444 92 V HA 0.253 4.373 4.120 -0.000 0.000 0.294 92 V C -0.213 175.763 176.094 -0.197 0.000 1.022 92 V CA -0.949 61.379 62.300 0.047 0.000 0.850 92 V CB 1.586 33.388 31.823 -0.034 0.000 0.992 92 V HN 0.906 nan 8.190 nan 0.000 0.426 93 N N 7.777 126.129 118.700 -0.580 0.000 2.402 93 N HA 0.233 4.973 4.740 -0.000 0.000 0.252 93 N C -1.365 173.763 175.510 -0.638 0.000 1.118 93 N CA -1.955 50.548 53.050 -0.912 0.000 0.945 93 N CB 1.536 39.256 38.487 -1.278 0.000 1.147 93 N HN 0.351 nan 8.380 nan 0.000 0.495 94 P HA 0.042 nan 4.420 nan 0.000 0.249 94 P C -0.512 176.200 177.300 -0.980 0.000 1.229 94 P CA 0.334 62.872 63.100 -0.938 0.000 0.788 94 P CB -0.183 30.873 31.700 -1.074 0.000 1.072 95 W N 1.915 122.999 121.300 -0.359 0.000 1.978 95 W HA 0.384 5.044 4.660 -0.000 0.000 0.373 95 W C 0.148 176.521 176.519 -0.243 0.000 0.813 95 W CA -0.851 56.282 57.345 -0.353 0.000 1.571 95 W CB 0.036 29.246 29.460 -0.416 0.000 1.746 95 W HN -0.068 nan 8.180 nan 0.000 0.302 96 Q N 1.350 121.020 119.800 -0.217 0.000 2.230 96 Q HA 0.649 4.989 4.340 -0.000 0.000 0.253 96 Q C 0.451 176.357 176.000 -0.158 0.000 0.919 96 Q CA -0.612 54.803 55.803 -0.647 0.000 0.908 96 Q CB 2.140 30.250 28.738 -1.047 0.000 1.245 96 Q HN 0.467 nan 8.270 nan 0.000 0.437 97 G N 0.576 109.371 108.800 -0.009 0.000 2.473 97 G HA2 0.304 4.264 3.960 -0.000 0.000 0.321 97 G HA3 0.304 4.264 3.960 -0.000 0.000 0.321 97 G C 0.121 175.068 174.900 0.078 0.000 1.200 97 G CA -0.686 44.466 45.100 0.086 0.000 0.963 97 G HN 0.708 nan 8.290 nan 0.000 0.483 98 E N -0.576 119.653 120.200 0.049 0.000 2.358 98 E HA 0.234 4.584 4.350 -0.000 0.000 0.195 98 E C 1.647 178.279 176.600 0.052 0.000 1.010 98 E CA 0.847 57.277 56.400 0.049 0.000 0.856 98 E CB 0.051 29.774 29.700 0.037 0.000 0.795 98 E HN 1.365 nan 8.360 nan 0.000 0.504 99 G N 0.462 109.292 108.800 0.052 0.000 2.195 99 G HA2 -0.395 3.564 3.960 -0.000 0.000 0.246 99 G HA3 -0.395 3.564 3.960 -0.000 0.000 0.246 99 G C 1.084 175.994 174.900 0.016 0.000 0.984 99 G CA 0.387 45.499 45.100 0.021 0.000 0.633 99 G HN 0.413 nan 8.290 nan 0.000 0.525 100 N N -0.390 118.329 118.700 0.031 0.000 2.397 100 N HA 0.142 4.882 4.740 -0.000 0.000 0.190 100 N C 1.666 177.197 175.510 0.035 0.000 1.099 100 N CA 1.106 54.172 53.050 0.026 0.000 0.876 100 N CB 0.029 38.535 38.487 0.032 0.000 1.143 100 N HN 0.961 nan 8.380 nan 0.000 0.468 101 C N -0.424 118.911 119.300 0.059 0.000 2.705 101 C HA 0.216 4.676 4.460 -0.000 0.000 0.365 101 C C 1.998 177.031 174.990 0.073 0.000 1.353 101 C CA -0.881 58.193 59.018 0.093 0.000 2.339 101 C CB -0.611 27.215 27.740 0.143 0.000 2.576 101 C HN 0.534 nan 8.230 nan 0.000 0.716 102 Y N 0.984 121.257 120.300 -0.045 0.000 2.069 102 Y HA -0.214 4.336 4.550 0.000 0.000 0.278 102 Y C 2.195 177.950 175.900 -0.241 0.000 1.175 102 Y CA 2.571 60.559 58.100 -0.186 0.000 1.134 102 Y CB -0.757 37.499 38.460 -0.339 0.000 0.965 102 Y HN 0.783 nan 8.280 nan 0.000 0.498 103 Y N -1.477 118.862 120.300 0.065 0.000 2.242 103 Y HA -0.224 4.326 4.550 -0.000 0.000 0.291 103 Y C 2.841 178.701 175.900 -0.066 0.000 1.137 103 Y CA 1.389 59.478 58.100 -0.018 0.000 1.181 103 Y CB -1.043 37.454 38.460 0.062 0.000 0.989 103 Y HN 0.219 nan 8.280 nan 0.000 0.527 104 C N -0.242 119.111 119.300 0.089 0.000 2.440 104 C HA -0.135 4.324 4.460 -0.000 0.000 0.278 104 C C 2.658 177.629 174.990 -0.032 0.000 1.295 104 C CA 0.798 59.848 59.018 0.053 0.000 1.738 104 C CB -0.902 26.875 27.740 0.061 0.000 1.987 104 C HN 0.485 nan 8.230 nan 0.000 0.492 105 R N 1.137 121.573 120.500 -0.108 0.000 2.148 105 R HA -0.016 4.324 4.340 -0.000 0.000 0.227 105 R C 1.592 177.781 176.300 -0.185 0.000 1.103 105 R CA 1.230 57.243 56.100 -0.144 0.000 0.983 105 R CB -0.331 29.867 30.300 -0.169 0.000 0.874 105 R HN 0.705 nan 8.270 nan 0.000 0.451 106 I N -2.859 117.549 120.570 -0.271 0.000 3.855 106 I HA 0.378 4.548 4.170 -0.000 0.000 0.327 106 I C 0.468 176.534 176.117 -0.084 0.000 1.359 106 I CA 0.138 61.302 61.300 -0.226 0.000 1.142 106 I CB 0.361 38.137 38.000 -0.373 0.000 1.041 106 I HN 0.100 nan 8.210 nan 0.000 0.403 107 G N 1.839 110.617 108.800 -0.037 0.000 2.198 107 G HA2 -0.220 3.740 3.960 -0.000 0.000 0.257 107 G HA3 -0.220 3.740 3.960 -0.000 0.000 0.257 107 G C -0.022 174.942 174.900 0.107 0.000 1.042 107 G CA 0.058 45.175 45.100 0.029 0.000 0.791 107 G HN 0.562 nan 8.290 nan 0.000 0.502 108 E N -0.291 119.992 120.200 0.139 0.000 3.846 108 E HA 0.276 4.626 4.350 -0.000 0.000 0.216 108 E C 1.185 177.920 176.600 0.226 0.000 1.092 108 E CA -0.349 56.191 56.400 0.234 0.000 1.370 108 E CB 0.410 30.244 29.700 0.222 0.000 1.227 108 E HN 0.510 nan 8.360 nan 0.000 0.442 109 E N 0.438 120.805 120.200 0.277 0.000 2.147 109 E HA -0.244 4.106 4.350 -0.000 0.000 0.199 109 E C 1.788 178.576 176.600 0.315 0.000 1.005 109 E CA 1.641 58.212 56.400 0.286 0.000 0.810 109 E CB -0.255 29.659 29.700 0.356 0.000 0.736 109 E HN 0.496 nan 8.360 nan 0.000 0.460 110 H N -0.369 118.829 119.070 0.214 0.000 2.521 110 H HA -0.009 4.547 4.556 -0.000 0.000 0.286 110 H C 1.230 176.745 175.328 0.311 0.000 1.034 110 H CA 0.749 56.957 56.048 0.266 0.000 1.278 110 H CB -0.329 29.460 29.762 0.046 0.000 1.386 110 H HN 0.208 nan 8.280 nan 0.000 0.567 111 L N 1.337 122.367 121.223 -0.321 0.000 2.848 111 L HA 0.158 4.498 4.340 -0.000 0.000 0.240 111 L C 0.599 177.355 176.870 -0.191 0.000 1.232 111 L CA -0.614 54.011 54.840 -0.357 0.000 1.031 111 L CB 0.153 41.832 42.059 -0.634 0.000 1.338 111 L HN 0.189 nan 8.230 nan 0.000 0.509 112 C N 0.470 119.779 119.300 0.014 0.000 2.665 112 C HA -0.051 4.409 4.460 -0.000 0.000 0.416 112 C C 1.921 176.904 174.990 -0.012 0.000 1.305 112 C CA -0.195 58.863 59.018 0.066 0.000 1.903 112 C CB 0.380 28.165 27.740 0.075 0.000 2.704 112 C HN 0.512 nan 8.230 nan 0.000 0.629 113 D N 1.637 122.070 120.400 0.056 0.000 2.264 113 D HA -0.021 4.619 4.640 -0.000 0.000 0.208 113 D C 0.814 177.092 176.300 -0.035 0.000 0.966 113 D CA 1.251 55.260 54.000 0.016 0.000 0.864 113 D CB 0.093 40.940 40.800 0.079 0.000 0.933 113 D HN 0.609 nan 8.370 nan 0.000 0.499 114 S N 1.738 117.420 115.700 -0.029 0.000 2.062 114 S HA 0.212 4.682 4.470 -0.000 0.000 0.163 114 S C -2.467 172.080 174.600 -0.089 0.000 1.612 114 S CA -1.029 57.145 58.200 -0.045 0.000 1.251 114 S CB 1.762 64.961 63.200 -0.001 0.000 1.174 114 S HN 0.109 nan 8.310 nan 0.000 0.428 115 P HA 0.181 nan 4.420 nan 0.000 0.268 115 P C -0.829 176.292 177.300 -0.299 0.000 1.205 115 P CA -0.271 62.649 63.100 -0.300 0.000 0.771 115 P CB 0.654 31.913 31.700 -0.734 0.000 0.858 116 R N 2.696 123.032 120.500 -0.273 0.000 2.363 116 R HA 0.274 4.614 4.340 -0.000 0.000 0.297 116 R C -0.926 175.309 176.300 -0.109 0.000 1.208 116 R CA -0.353 55.407 56.100 -0.567 0.000 1.121 116 R CB 0.698 30.454 30.300 -0.906 0.000 1.124 116 R HN 0.496 nan 8.270 nan 0.000 0.561 117 W N 4.967 126.199 121.300 -0.113 0.000 2.288 117 W HA 0.299 4.959 4.660 -0.000 0.000 0.325 117 W C -0.031 176.445 176.519 -0.071 0.000 1.019 117 W CA -1.431 55.886 57.345 -0.047 0.000 1.403 117 W CB 0.230 29.823 29.460 0.222 0.000 1.226 117 W HN 0.348 nan 8.180 nan 0.000 0.391 118 L N 3.591 124.780 121.223 -0.056 0.000 2.559 118 L HA 0.222 4.562 4.340 -0.000 0.000 0.274 118 L C 1.483 178.332 176.870 -0.034 0.000 1.205 118 L CA 1.228 56.041 54.840 -0.045 0.000 0.907 118 L CB -0.236 41.718 42.059 -0.174 0.000 1.153 118 L HN 0.848 nan 8.230 nan 0.000 0.490 119 G N 2.735 111.572 108.800 0.062 0.000 2.195 119 G HA2 -0.242 3.718 3.960 -0.000 0.000 0.246 119 G HA3 -0.242 3.718 3.960 -0.000 0.000 0.246 119 G C 0.624 175.636 174.900 0.187 0.000 0.984 119 G CA 0.203 45.347 45.100 0.073 0.000 0.633 119 G HN 0.499 nan 8.290 nan 0.000 0.525 120 I N 0.623 121.349 120.570 0.260 0.000 3.534 120 I HA 0.174 4.344 4.170 -0.000 0.000 0.251 120 I C 1.771 178.050 176.117 0.270 0.000 1.136 120 I CA 1.613 63.114 61.300 0.335 0.000 1.475 120 I CB -0.909 37.417 38.000 0.544 0.000 1.526 120 I HN 0.349 nan 8.210 nan 0.000 0.454 121 N N -0.107 118.776 118.700 0.305 0.000 2.171 121 N HA 0.109 4.849 4.740 -0.000 0.000 0.212 121 N C -0.369 175.240 175.510 0.164 0.000 1.184 121 N CA 0.015 53.185 53.050 0.201 0.000 0.888 121 N CB 0.633 39.219 38.487 0.164 0.000 1.038 121 N HN 0.093 nan 8.380 nan 0.000 0.517 122 F N 0.694 120.675 119.950 0.052 0.000 2.599 122 F HA 0.359 4.886 4.527 -0.000 0.000 0.311 122 F C -0.134 175.675 175.800 0.015 0.000 1.076 122 F CA -1.103 56.911 58.000 0.023 0.000 0.937 122 F CB 1.375 40.382 39.000 0.010 0.000 1.282 122 F HN -0.251 nan 8.300 nan 0.000 0.460 123 D N 1.223 121.708 120.400 0.142 0.000 2.488 123 D HA 0.309 4.949 4.640 -0.000 0.000 0.238 123 D C 0.385 176.726 176.300 0.068 0.000 1.138 123 D CA 0.601 54.650 54.000 0.082 0.000 0.873 123 D CB 1.105 41.942 40.800 0.062 0.000 1.183 123 D HN 0.700 nan 8.370 nan 0.000 0.458 124 G N -0.018 108.791 108.800 0.015 0.000 2.857 124 G HA2 0.463 4.423 3.960 -0.000 0.000 0.217 124 G HA3 0.463 4.423 3.960 -0.000 0.000 0.217 124 G C 0.503 175.384 174.900 -0.031 0.000 1.357 124 G CA 0.006 45.080 45.100 -0.043 0.000 1.033 124 G HN 0.420 nan 8.290 nan 0.000 0.571 125 A N -1.409 121.370 122.820 -0.068 0.000 2.238 125 A HA 0.247 4.567 4.320 -0.000 0.000 0.208 125 A C 0.533 178.213 177.584 0.160 0.000 1.177 125 A CA 0.152 52.201 52.037 0.020 0.000 0.804 125 A CB -0.288 18.715 19.000 0.006 0.000 0.823 125 A HN 0.417 nan 8.150 nan 0.000 0.482 126 Y N 0.840 121.132 120.300 -0.013 0.000 3.028 126 Y HA 0.497 5.047 4.550 -0.000 0.000 0.381 126 Y C 0.809 176.703 175.900 -0.010 0.000 1.139 126 Y CA -0.414 57.676 58.100 -0.017 0.000 2.013 126 Y CB -1.543 36.912 38.460 -0.009 0.000 2.146 126 Y HN 0.404 nan 8.280 nan 0.000 0.412 127 A N -0.521 122.377 122.820 0.129 0.000 2.536 127 A HA 0.468 4.788 4.320 -0.000 0.000 0.293 127 A C 0.811 178.390 177.584 -0.009 0.000 1.119 127 A CA -0.719 51.358 52.037 0.066 0.000 0.654 127 A CB 0.713 19.765 19.000 0.086 0.000 1.291 127 A HN 0.245 nan 8.150 nan 0.000 0.439 128 E N -0.973 119.201 120.200 -0.043 0.000 2.072 128 E HA -0.041 4.309 4.350 -0.000 0.000 0.191 128 E C -0.583 175.709 176.600 -0.513 0.000 0.985 128 E CA 1.603 57.848 56.400 -0.258 0.000 0.801 128 E CB -0.059 29.524 29.700 -0.194 0.000 0.750 128 E HN 0.535 nan 8.360 nan 0.000 0.452 129 Y N -1.475 118.839 120.300 0.024 0.000 2.576 129 Y HA 0.534 5.084 4.550 -0.000 0.000 0.346 129 Y C -0.533 175.380 175.900 0.021 0.000 1.018 129 Y CA -1.091 57.021 58.100 0.020 0.000 1.050 129 Y CB 2.063 40.532 38.460 0.015 0.000 1.280 129 Y HN -0.290 nan 8.280 nan 0.000 0.474 130 V N 3.484 123.503 119.914 0.175 0.000 2.851 130 V HA 0.509 4.629 4.120 -0.000 0.000 0.307 130 V C -1.513 174.630 176.094 0.083 0.000 1.129 130 V CA -0.757 61.602 62.300 0.100 0.000 0.932 130 V CB 1.781 33.632 31.823 0.047 0.000 1.024 130 V HN 0.624 nan 8.190 nan 0.000 0.426 131 I N 6.262 126.873 120.570 0.068 0.000 2.395 131 I HA 0.343 4.513 4.170 -0.000 0.000 0.289 131 I C -0.054 176.078 176.117 0.026 0.000 1.023 131 I CA -0.128 61.203 61.300 0.052 0.000 1.350 131 I CB 1.715 39.754 38.000 0.064 0.000 1.409 131 I HN 0.357 nan 8.210 nan 0.000 0.507 132 V N 9.977 129.897 119.914 0.009 0.000 2.333 132 V HA 0.174 4.294 4.120 -0.000 0.000 0.274 132 V C -1.497 174.595 176.094 -0.003 0.000 1.028 132 V CA -1.225 61.066 62.300 -0.016 0.000 0.851 132 V CB 1.242 33.061 31.823 -0.008 0.000 1.000 132 V HN 0.590 nan 8.190 nan 0.000 0.456 133 P HA -0.149 nan 4.420 nan 0.000 0.216 133 P C 0.359 177.698 177.300 0.065 0.000 1.153 133 P CA 1.555 64.639 63.100 -0.026 0.000 0.858 133 P CB 0.136 31.742 31.700 -0.157 0.000 0.789 134 H N -2.500 116.592 119.070 0.036 0.000 2.877 134 H HA 0.092 4.648 4.556 -0.000 0.000 0.347 134 H C 0.330 175.721 175.328 0.105 0.000 1.042 134 H CA -0.789 55.322 56.048 0.105 0.000 1.276 134 H CB 0.982 30.831 29.762 0.145 0.000 1.681 134 H HN -0.019 nan 8.280 nan 0.000 0.521 135 Y N 4.128 124.510 120.300 0.136 0.000 2.403 135 Y HA -0.102 4.448 4.550 -0.000 0.000 0.291 135 Y C 1.889 177.915 175.900 0.210 0.000 1.143 135 Y CA 1.250 59.403 58.100 0.089 0.000 1.257 135 Y CB -0.128 38.324 38.460 -0.013 0.000 0.984 135 Y HN 0.421 nan 8.280 nan 0.000 0.550 136 K N -0.689 119.547 120.400 -0.273 0.000 2.442 136 K HA -0.142 4.178 4.320 -0.000 0.000 0.198 136 K C 0.319 176.782 176.600 -0.229 0.000 1.042 136 K CA 1.176 57.266 56.287 -0.329 0.000 0.958 136 K CB -0.654 31.493 32.500 -0.590 0.000 0.766 136 K HN 0.433 nan 8.250 nan 0.000 0.474 137 Y N 1.281 121.555 120.300 -0.044 0.000 2.470 137 Y HA 0.295 4.845 4.550 -0.000 0.000 0.284 137 Y C 0.578 176.462 175.900 -0.027 0.000 1.188 137 Y CA -0.314 57.731 58.100 -0.091 0.000 1.269 137 Y CB 0.058 38.413 38.460 -0.173 0.000 1.094 137 Y HN -0.002 nan 8.280 nan 0.000 0.518 138 M N -0.877 118.854 119.600 0.217 0.000 2.598 138 M HA 0.302 4.782 4.480 -0.000 0.000 0.317 138 M C -1.498 175.086 176.300 0.473 0.000 1.201 138 M CA -0.900 54.566 55.300 0.277 0.000 0.971 138 M CB 2.002 34.629 32.600 0.044 0.000 1.657 138 M HN 0.023 nan 8.290 nan 0.000 0.470 139 Y N 1.305 121.811 120.300 0.345 0.000 2.329 139 Y HA 0.323 4.873 4.550 -0.000 0.000 0.328 139 Y C -0.737 175.278 175.900 0.192 0.000 0.992 139 Y CA -0.970 57.276 58.100 0.243 0.000 1.151 139 Y CB 1.124 39.628 38.460 0.073 0.000 1.150 139 Y HN 0.431 nan 8.280 nan 0.000 0.450 140 K N 7.168 127.522 120.400 -0.077 0.000 2.402 140 K HA 0.200 4.519 4.320 -0.000 0.000 0.285 140 K C -0.579 176.032 176.600 0.018 0.000 1.054 140 K CA 0.054 56.351 56.287 0.017 0.000 1.001 140 K CB 0.418 32.881 32.500 -0.061 0.000 0.946 140 K HN 0.753 nan 8.250 nan 0.000 0.473 141 L N 3.388 124.697 121.223 0.143 0.000 2.380 141 L HA 0.142 4.482 4.340 -0.000 0.000 0.273 141 L C 1.532 178.454 176.870 0.086 0.000 1.138 141 L CA -0.057 54.879 54.840 0.160 0.000 0.832 141 L CB 0.542 42.680 42.059 0.132 0.000 1.124 141 L HN 0.539 nan 8.230 nan 0.000 0.454 142 R N 0.923 121.477 120.500 0.089 0.000 2.276 142 R HA 0.106 4.446 4.340 -0.000 0.000 0.195 142 R C 1.807 178.132 176.300 0.043 0.000 0.908 142 R CA 0.427 56.556 56.100 0.048 0.000 1.083 142 R CB 0.216 30.539 30.300 0.039 0.000 1.182 142 R HN 0.542 nan 8.270 nan 0.000 0.608 143 R N -0.287 120.243 120.500 0.050 0.000 2.383 143 R HA 0.276 4.616 4.340 -0.000 0.000 0.205 143 R C -0.227 176.092 176.300 0.031 0.000 0.875 143 R CA 0.182 56.302 56.100 0.034 0.000 1.039 143 R CB 0.201 30.517 30.300 0.027 0.000 1.267 143 R HN 0.118 nan 8.270 nan 0.000 0.635 144 L N 3.765 125.010 121.223 0.038 0.000 2.417 144 L HA 0.143 4.483 4.340 -0.000 0.000 0.268 144 L C 0.166 177.057 176.870 0.035 0.000 1.158 144 L CA -0.537 54.321 54.840 0.029 0.000 0.819 144 L CB 0.717 42.789 42.059 0.022 0.000 1.112 144 L HN 0.274 nan 8.230 nan 0.000 0.458 145 N N 1.445 120.161 118.700 0.026 0.000 2.447 145 N HA 0.349 5.089 4.740 -0.000 0.000 0.271 145 N C 0.559 176.087 175.510 0.029 0.000 1.226 145 N CA -0.113 52.953 53.050 0.026 0.000 0.980 145 N CB 0.893 39.391 38.487 0.018 0.000 1.206 145 N HN 0.580 nan 8.380 nan 0.000 0.558 146 A N 0.047 122.884 122.820 0.029 0.000 1.902 146 A HA -0.102 4.218 4.320 -0.000 0.000 0.217 146 A C 1.992 179.590 177.584 0.025 0.000 1.181 146 A CA 1.721 53.776 52.037 0.030 0.000 0.623 146 A CB -1.200 17.814 19.000 0.024 0.000 0.818 146 A HN 0.480 nan 8.150 nan 0.000 0.443 147 V N 0.219 120.144 119.914 0.017 0.000 2.407 147 V HA -0.269 3.851 4.120 -0.000 0.000 0.248 147 V C 2.318 178.422 176.094 0.017 0.000 1.055 147 V CA 2.289 64.597 62.300 0.014 0.000 1.049 147 V CB -0.906 30.922 31.823 0.008 0.000 0.662 147 V HN 0.664 nan 8.190 nan 0.000 0.455 148 E N 0.364 120.573 120.200 0.016 0.000 2.152 148 E HA -0.057 4.293 4.350 -0.000 0.000 0.192 148 E C 2.272 178.880 176.600 0.013 0.000 0.983 148 E CA 1.090 57.498 56.400 0.013 0.000 0.818 148 E CB -0.260 29.445 29.700 0.010 0.000 0.758 148 E HN 0.610 nan 8.360 nan 0.000 0.467 149 A N 1.605 124.437 122.820 0.019 0.000 1.898 149 A HA 0.069 4.389 4.320 -0.000 0.000 0.214 149 A C 2.425 180.031 177.584 0.037 0.000 1.183 149 A CA 1.158 53.207 52.037 0.020 0.000 0.622 149 A CB -0.586 18.436 19.000 0.038 0.000 0.824 149 A HN 0.257 nan 8.150 nan 0.000 0.444 150 A N 0.705 123.551 122.820 0.043 0.000 1.884 150 A HA -0.153 4.167 4.320 -0.000 0.000 0.219 150 A C 0.163 177.782 177.584 0.058 0.000 1.197 150 A CA 2.244 54.310 52.037 0.049 0.000 0.637 150 A CB -1.907 17.115 19.000 0.036 0.000 0.827 150 A HN 0.446 nan 8.150 nan 0.000 0.450 151 P HA -0.103 nan 4.420 nan 0.000 0.221 151 P C 1.143 178.493 177.300 0.084 0.000 1.145 151 P CA 0.782 63.921 63.100 0.065 0.000 0.795 151 P CB -0.160 31.570 31.700 0.051 0.000 0.775 152 L N -1.170 120.094 121.223 0.068 0.000 2.362 152 L HA -0.073 4.267 4.340 -0.000 0.000 0.219 152 L C 2.062 179.029 176.870 0.162 0.000 1.134 152 L CA 1.667 56.545 54.840 0.064 0.000 0.807 152 L CB -1.480 40.563 42.059 -0.027 0.000 0.927 152 L HN 0.116 nan 8.230 nan 0.000 0.447 153 T N -5.254 109.425 114.554 0.208 0.000 3.160 153 T HA -0.037 4.313 4.350 -0.000 0.000 0.257 153 T C 1.219 176.116 174.700 0.329 0.000 1.147 153 T CA 0.469 62.738 62.100 0.282 0.000 1.064 153 T CB -0.018 68.939 68.868 0.147 0.000 0.949 153 T HN 0.445 nan 8.240 nan 0.000 0.526 154 C N 0.411 119.900 119.300 0.315 0.000 3.190 154 C HA 0.300 4.760 4.460 -0.000 0.000 0.288 154 C C 2.889 178.012 174.990 0.221 0.000 2.330 154 C CA 0.813 60.071 59.018 0.400 0.000 1.535 154 C CB 0.229 28.290 27.740 0.535 0.000 1.587 154 C HN 0.567 nan 8.230 nan 0.000 0.679 155 S N 1.369 117.177 115.700 0.180 0.000 2.383 155 S HA 0.030 4.500 4.470 -0.000 0.000 0.229 155 S C 1.777 176.433 174.600 0.093 0.000 1.030 155 S CA 2.257 60.528 58.200 0.119 0.000 1.002 155 S CB -1.085 62.179 63.200 0.107 0.000 0.829 155 S HN 0.953 nan 8.310 nan 0.000 0.467 156 G N 1.625 110.485 108.800 0.100 0.000 2.424 156 G HA2 0.003 3.963 3.960 -0.000 0.000 0.214 156 G HA3 0.003 3.963 3.960 -0.000 0.000 0.214 156 G C 1.388 176.350 174.900 0.103 0.000 1.202 156 G CA 0.595 45.744 45.100 0.082 0.000 0.793 156 G HN 0.508 nan 8.290 nan 0.000 0.534 157 I N 0.795 121.434 120.570 0.116 0.000 2.286 157 I HA -0.167 4.003 4.170 -0.000 0.000 0.248 157 I C 2.730 178.889 176.117 0.069 0.000 1.115 157 I CA 1.650 63.015 61.300 0.108 0.000 1.392 157 I CB -0.045 38.075 38.000 0.201 0.000 1.065 157 I HN 0.142 nan 8.210 nan 0.000 0.418 158 T N 0.049 114.618 114.554 0.025 0.000 2.737 158 T HA -0.168 4.182 4.350 -0.000 0.000 0.265 158 T C 1.769 176.461 174.700 -0.014 0.000 1.038 158 T CA 2.166 64.232 62.100 -0.056 0.000 1.144 158 T CB -0.530 68.291 68.868 -0.080 0.000 0.866 158 T HN 0.591 nan 8.240 nan 0.000 0.434 159 T N -0.573 113.995 114.554 0.024 0.000 3.023 159 T HA -0.023 4.327 4.350 -0.000 0.000 0.266 159 T C 1.741 176.456 174.700 0.025 0.000 1.093 159 T CA 0.475 62.580 62.100 0.007 0.000 1.129 159 T CB -0.577 68.295 68.868 0.006 0.000 0.899 159 T HN 0.429 nan 8.240 nan 0.000 0.491 160 Y N 2.218 122.491 120.300 -0.045 0.000 2.163 160 Y HA 0.081 4.631 4.550 -0.000 0.000 0.288 160 Y C 2.810 178.680 175.900 -0.050 0.000 1.136 160 Y CA 1.331 59.405 58.100 -0.044 0.000 1.147 160 Y CB -0.244 38.194 38.460 -0.037 0.000 0.987 160 Y HN 0.054 nan 8.280 nan 0.000 0.509 161 R N 0.199 120.802 120.500 0.171 0.000 2.081 161 R HA -0.150 4.189 4.340 -0.000 0.000 0.235 161 R C 2.322 178.600 176.300 -0.036 0.000 1.131 161 R CA 1.311 57.449 56.100 0.063 0.000 0.960 161 R CB -0.557 29.747 30.300 0.006 0.000 0.856 161 R HN 0.442 nan 8.270 nan 0.000 0.436 162 A N 0.199 122.988 122.820 -0.052 0.000 1.902 162 A HA -0.095 4.225 4.320 -0.000 0.000 0.217 162 A C 2.214 179.736 177.584 -0.102 0.000 1.181 162 A CA 1.520 53.512 52.037 -0.075 0.000 0.623 162 A CB -0.443 18.510 19.000 -0.079 0.000 0.818 162 A HN 0.237 nan 8.150 nan 0.000 0.443 163 V N -0.146 119.689 119.914 -0.131 0.000 2.515 163 V HA -0.201 3.919 4.120 -0.000 0.000 0.250 163 V C 2.594 178.583 176.094 -0.175 0.000 1.058 163 V CA 2.130 64.335 62.300 -0.160 0.000 1.064 163 V CB -0.783 30.925 31.823 -0.192 0.000 0.675 163 V HN 0.682 nan 8.190 nan 0.000 0.461 164 R N 0.426 120.806 120.500 -0.200 0.000 2.073 164 R HA -0.104 4.236 4.340 -0.000 0.000 0.229 164 R C 2.277 178.522 176.300 -0.092 0.000 1.120 164 R CA 1.317 57.318 56.100 -0.164 0.000 0.967 164 R CB -0.112 30.093 30.300 -0.159 0.000 0.862 164 R HN 0.409 nan 8.270 nan 0.000 0.436 165 K N -0.101 120.255 120.400 -0.072 0.000 2.283 165 K HA -0.012 4.307 4.320 -0.000 0.000 0.202 165 K C 1.698 178.263 176.600 -0.058 0.000 1.048 165 K CA 0.931 57.190 56.287 -0.047 0.000 0.948 165 K CB 0.099 32.580 32.500 -0.031 0.000 0.742 165 K HN 0.206 nan 8.250 nan 0.000 0.458 166 A N 1.052 123.824 122.820 -0.080 0.000 2.239 166 A HA -0.023 4.297 4.320 -0.000 0.000 0.209 166 A C 0.513 178.053 177.584 -0.074 0.000 1.171 166 A CA 0.347 52.333 52.037 -0.085 0.000 0.768 166 A CB -0.248 18.690 19.000 -0.104 0.000 0.790 166 A HN 0.178 nan 8.150 nan 0.000 0.478 167 S N -0.984 114.675 115.700 -0.067 0.000 3.447 167 S HA -0.148 4.321 4.470 -0.000 0.000 0.371 167 S C 0.057 174.623 174.600 -0.057 0.000 0.951 167 S CA 0.642 58.809 58.200 -0.056 0.000 1.269 167 S CB -1.842 61.332 63.200 -0.043 0.000 0.919 167 S HN 0.531 nan 8.310 nan 0.000 0.516 168 L N 1.602 122.785 121.223 -0.067 0.000 2.399 168 L HA 0.671 5.011 4.340 -0.000 0.000 0.266 168 L C 0.508 177.348 176.870 -0.050 0.000 1.114 168 L CA -0.502 54.302 54.840 -0.060 0.000 0.804 168 L CB 0.973 42.989 42.059 -0.071 0.000 1.146 168 L HN 0.580 nan 8.230 nan 0.000 0.451 169 D N -0.101 120.275 120.400 -0.040 0.000 2.615 169 D HA 0.315 4.955 4.640 -0.000 0.000 0.267 169 D C -2.510 173.775 176.300 -0.025 0.000 1.236 169 D CA -1.490 52.491 54.000 -0.032 0.000 0.839 169 D CB 1.405 42.189 40.800 -0.026 0.000 1.380 169 D HN 0.027 nan 8.370 nan 0.000 0.433 170 P HA -0.141 nan 4.420 nan 0.000 0.219 170 P C 1.060 178.355 177.300 -0.009 0.000 1.144 170 P CA 1.989 65.081 63.100 -0.014 0.000 0.806 170 P CB -0.047 31.646 31.700 -0.012 0.000 0.771 171 T N -5.301 109.246 114.554 -0.011 0.000 3.107 171 T HA 0.153 4.503 4.350 -0.000 0.000 0.249 171 T C 0.624 175.318 174.700 -0.010 0.000 1.096 171 T CA 0.010 62.105 62.100 -0.008 0.000 1.012 171 T CB -0.247 68.616 68.868 -0.009 0.000 0.977 171 T HN 0.045 nan 8.240 nan 0.000 0.527 172 K N 0.808 121.200 120.400 -0.015 0.000 2.185 172 K HA 0.603 4.923 4.320 -0.000 0.000 0.240 172 K C -0.815 175.776 176.600 -0.015 0.000 0.983 172 K CA -0.752 55.524 56.287 -0.019 0.000 0.873 172 K CB 1.751 34.234 32.500 -0.029 0.000 1.118 172 K HN -0.052 nan 8.250 nan 0.000 0.441 173 T N 1.715 116.258 114.554 -0.020 0.000 2.824 173 T HA 0.365 4.715 4.350 -0.000 0.000 0.282 173 T C -1.237 173.442 174.700 -0.035 0.000 0.993 173 T CA -0.672 61.419 62.100 -0.015 0.000 0.967 173 T CB 0.904 69.763 68.868 -0.014 0.000 0.960 173 T HN 0.288 nan 8.240 nan 0.000 0.441 174 L N 4.153 125.354 121.223 -0.037 0.000 2.325 174 L HA 0.838 5.178 4.340 -0.000 0.000 0.278 174 L C -1.403 175.424 176.870 -0.072 0.000 1.023 174 L CA -0.908 53.892 54.840 -0.066 0.000 0.811 174 L CB 1.331 43.346 42.059 -0.073 0.000 1.249 174 L HN 0.547 nan 8.230 nan 0.000 0.431 175 L N 5.752 126.906 121.223 -0.114 0.000 2.333 175 L HA 0.661 5.001 4.340 -0.000 0.000 0.280 175 L C -1.256 175.492 176.870 -0.202 0.000 1.004 175 L CA -0.277 54.477 54.840 -0.143 0.000 0.820 175 L CB 1.799 43.767 42.059 -0.152 0.000 1.247 175 L HN 0.425 nan 8.230 nan 0.000 0.416 176 V N 6.087 125.892 119.914 -0.182 0.000 2.347 176 V HA 0.413 4.533 4.120 -0.000 0.000 0.280 176 V C -0.238 175.711 176.094 -0.241 0.000 1.021 176 V CA -0.689 61.495 62.300 -0.193 0.000 0.847 176 V CB 1.588 33.337 31.823 -0.125 0.000 0.990 176 V HN 0.528 nan 8.190 nan 0.000 0.444 177 V N 4.318 124.050 119.914 -0.304 0.000 2.364 177 V HA 0.673 4.793 4.120 -0.000 0.000 0.272 177 V C 1.047 177.019 176.094 -0.203 0.000 1.036 177 V CA 0.608 62.702 62.300 -0.344 0.000 0.880 177 V CB 0.631 32.188 31.823 -0.442 0.000 0.991 177 V HN 1.217 nan 8.190 nan 0.000 0.460 178 G N 4.348 113.065 108.800 -0.138 0.000 2.203 178 G HA2 -0.103 3.857 3.960 -0.000 0.000 0.231 178 G HA3 -0.103 3.857 3.960 -0.000 0.000 0.231 178 G C 0.735 175.610 174.900 -0.043 0.000 1.058 178 G CA 0.222 45.281 45.100 -0.069 0.000 0.781 178 G HN 1.295 nan 8.290 nan 0.000 0.496 179 A N -0.434 122.353 122.820 -0.055 0.000 2.216 179 A HA 0.440 4.760 4.320 -0.000 0.000 0.214 179 A C 2.347 179.929 177.584 -0.003 0.000 1.160 179 A CA 2.119 54.134 52.037 -0.038 0.000 0.725 179 A CB -0.134 18.836 19.000 -0.049 0.000 0.784 179 A HN 1.640 nan 8.150 nan 0.000 0.472 180 G N -1.046 107.765 108.800 0.017 0.000 3.088 180 G HA2 0.406 4.366 3.960 -0.000 0.000 0.217 180 G HA3 0.406 4.366 3.960 -0.000 0.000 0.217 180 G C 0.736 175.675 174.900 0.064 0.000 1.159 180 G CA 0.622 45.744 45.100 0.037 0.000 0.760 180 G HN 0.669 nan 8.290 nan 0.000 0.550 181 G N -0.349 108.498 108.800 0.078 0.000 2.543 181 G HA2 0.426 4.386 3.960 -0.000 0.000 0.267 181 G HA3 0.426 4.386 3.960 -0.000 0.000 0.267 181 G C 1.293 176.249 174.900 0.094 0.000 1.406 181 G CA 0.206 45.376 45.100 0.116 0.000 1.048 181 G HN 0.164 nan 8.290 nan 0.000 0.548 182 G N -0.709 108.162 108.800 0.118 0.000 2.459 182 G HA2 -0.128 3.832 3.960 -0.000 0.000 0.217 182 G HA3 -0.128 3.832 3.960 -0.000 0.000 0.217 182 G C 1.669 176.617 174.900 0.079 0.000 1.183 182 G CA 1.018 46.179 45.100 0.100 0.000 0.776 182 G HN 0.303 nan 8.290 nan 0.000 0.552 183 L N 1.300 122.570 121.223 0.079 0.000 2.131 183 L HA 0.216 4.556 4.340 -0.000 0.000 0.206 183 L C 3.099 179.980 176.870 0.018 0.000 1.087 183 L CA 1.438 56.307 54.840 0.048 0.000 0.767 183 L CB -0.914 41.167 42.059 0.038 0.000 0.917 183 L HN 0.251 nan 8.230 nan 0.000 0.441 184 G N -0.643 108.165 108.800 0.015 0.000 2.476 184 G HA2 -0.331 3.629 3.960 -0.000 0.000 0.218 184 G HA3 -0.331 3.629 3.960 -0.000 0.000 0.218 184 G C 1.631 176.528 174.900 -0.005 0.000 1.164 184 G CA 1.601 46.695 45.100 -0.010 0.000 0.768 184 G HN 0.453 nan 8.290 nan 0.000 0.560 185 T N -1.659 112.903 114.554 0.014 0.000 2.915 185 T HA -0.020 4.330 4.350 -0.000 0.000 0.269 185 T C 2.261 176.966 174.700 0.008 0.000 1.071 185 T CA 1.592 63.699 62.100 0.012 0.000 1.132 185 T CB -0.131 68.751 68.868 0.023 0.000 0.878 185 T HN 0.120 nan 8.240 nan 0.000 0.479 186 M N 1.878 121.487 119.600 0.015 0.000 2.193 186 M HA 0.458 4.938 4.480 -0.000 0.000 0.265 186 M C 2.529 178.830 176.300 0.002 0.000 1.071 186 M CA 0.936 56.246 55.300 0.017 0.000 1.140 186 M CB -0.976 31.644 32.600 0.033 0.000 1.369 186 M HN 0.331 nan 8.290 nan 0.000 0.423 187 A N -0.874 121.939 122.820 -0.012 0.000 1.908 187 A HA -0.118 4.202 4.320 -0.000 0.000 0.218 187 A C 2.171 179.729 177.584 -0.042 0.000 1.181 187 A CA 2.047 54.063 52.037 -0.036 0.000 0.627 187 A CB -1.267 17.700 19.000 -0.056 0.000 0.818 187 A HN 0.336 nan 8.150 nan 0.000 0.445 188 V N -0.018 119.874 119.914 -0.035 0.000 2.343 188 V HA -0.316 3.804 4.120 -0.000 0.000 0.247 188 V C 2.661 178.737 176.094 -0.029 0.000 1.051 188 V CA 2.255 64.534 62.300 -0.035 0.000 1.036 188 V CB -0.861 30.945 31.823 -0.028 0.000 0.654 188 V HN 0.635 nan 8.190 nan 0.000 0.451 189 Q N -0.588 119.201 119.800 -0.019 0.000 2.046 189 Q HA -0.126 4.214 4.340 -0.000 0.000 0.200 189 Q C 2.308 178.298 176.000 -0.017 0.000 0.975 189 Q CA 1.719 57.514 55.803 -0.014 0.000 0.836 189 Q CB -0.196 28.540 28.738 -0.003 0.000 0.896 189 Q HN 0.573 nan 8.270 nan 0.000 0.428 190 I N 0.660 121.221 120.570 -0.016 0.000 2.226 190 I HA -0.244 3.926 4.170 -0.000 0.000 0.245 190 I C 2.380 178.461 176.117 -0.061 0.000 1.100 190 I CA 0.928 62.212 61.300 -0.026 0.000 1.374 190 I CB -0.361 37.626 38.000 -0.022 0.000 1.057 190 I HN 0.132 nan 8.210 nan 0.000 0.413 191 A N 0.460 123.241 122.820 -0.065 0.000 2.015 191 A HA -0.226 4.094 4.320 -0.000 0.000 0.219 191 A C 2.246 179.798 177.584 -0.053 0.000 1.163 191 A CA 1.704 53.698 52.037 -0.072 0.000 0.646 191 A CB -0.330 18.628 19.000 -0.069 0.000 0.806 191 A HN 0.244 nan 8.150 nan 0.000 0.448 192 K N -0.065 120.310 120.400 -0.041 0.000 2.116 192 K HA 0.209 4.529 4.320 -0.000 0.000 0.203 192 K C 1.895 178.477 176.600 -0.030 0.000 1.052 192 K CA 1.288 57.555 56.287 -0.034 0.000 0.952 192 K CB -0.390 32.092 32.500 -0.030 0.000 0.729 192 K HN 0.278 nan 8.250 nan 0.000 0.446 193 A N -0.079 122.724 122.820 -0.028 0.000 1.970 193 A HA 0.001 4.321 4.320 -0.000 0.000 0.216 193 A C 1.721 179.290 177.584 -0.024 0.000 1.170 193 A CA 1.580 53.606 52.037 -0.020 0.000 0.645 193 A CB -0.133 18.862 19.000 -0.008 0.000 0.816 193 A HN 0.261 nan 8.150 nan 0.000 0.447 194 V N -3.520 116.369 119.914 -0.041 0.000 3.382 194 V HA 0.202 4.322 4.120 -0.000 0.000 0.296 194 V C 1.295 177.353 176.094 -0.060 0.000 1.529 194 V CA 0.968 63.239 62.300 -0.048 0.000 1.048 194 V CB -0.197 31.590 31.823 -0.061 0.000 0.878 194 V HN 0.505 nan 8.190 nan 0.000 0.442 195 S N -0.144 115.520 115.700 -0.061 0.000 2.514 195 S HA 0.460 4.930 4.470 -0.000 0.000 0.223 195 S C 1.931 176.506 174.600 -0.041 0.000 1.046 195 S CA 1.137 59.302 58.200 -0.059 0.000 0.914 195 S CB 0.561 63.718 63.200 -0.071 0.000 0.807 195 S HN 1.857 nan 8.310 nan 0.000 0.497 196 G N 1.538 110.318 108.800 -0.034 0.000 2.212 196 G HA2 -0.174 3.786 3.960 -0.000 0.000 0.266 196 G HA3 -0.174 3.786 3.960 -0.000 0.000 0.266 196 G C 0.377 175.265 174.900 -0.021 0.000 0.978 196 G CA 0.178 45.263 45.100 -0.025 0.000 0.632 196 G HN 1.302 nan 8.290 nan 0.000 0.537 197 A N -0.024 122.780 122.820 -0.026 0.000 2.366 197 A HA 0.663 4.983 4.320 -0.000 0.000 0.249 197 A C 0.799 178.378 177.584 -0.007 0.000 1.084 197 A CA 1.103 53.128 52.037 -0.019 0.000 0.794 197 A CB 0.314 19.295 19.000 -0.031 0.000 1.034 197 A HN 0.748 nan 8.150 nan 0.000 0.491 198 T N 1.427 115.988 114.554 0.013 0.000 2.869 198 T HA 0.472 4.822 4.350 -0.000 0.000 0.295 198 T C -0.088 174.640 174.700 0.045 0.000 0.987 198 T CA 0.510 62.638 62.100 0.047 0.000 1.109 198 T CB -0.010 68.915 68.868 0.095 0.000 0.932 198 T HN 0.371 nan 8.240 nan 0.000 0.518 199 I N 3.669 124.272 120.570 0.055 0.000 2.406 199 I HA 0.473 4.643 4.170 -0.000 0.000 0.290 199 I C -0.355 175.818 176.117 0.093 0.000 0.999 199 I CA -0.682 60.640 61.300 0.037 0.000 1.124 199 I CB 1.555 39.553 38.000 -0.004 0.000 1.289 199 I HN 0.432 nan 8.210 nan 0.000 0.441 200 I N 4.973 125.579 120.570 0.060 0.000 2.389 200 I HA 0.508 4.678 4.170 -0.000 0.000 0.288 200 I C 0.361 176.476 176.117 -0.004 0.000 0.999 200 I CA -0.420 60.924 61.300 0.074 0.000 1.129 200 I CB 1.874 39.894 38.000 0.033 0.000 1.288 200 I HN 0.647 nan 8.210 nan 0.000 0.444 201 G N 5.056 113.859 108.800 0.006 0.000 2.415 201 G HA2 0.580 4.540 3.960 -0.000 0.000 0.327 201 G HA3 0.580 4.540 3.960 -0.000 0.000 0.327 201 G C -1.454 173.424 174.900 -0.037 0.000 1.182 201 G CA -0.482 44.597 45.100 -0.036 0.000 0.924 201 G HN 0.378 nan 8.290 nan 0.000 0.470 202 V N 2.129 121.991 119.914 -0.086 0.000 2.656 202 V HA 0.737 4.857 4.120 -0.000 0.000 0.307 202 V C -1.377 174.685 176.094 -0.053 0.000 1.051 202 V CA -0.679 61.583 62.300 -0.063 0.000 0.893 202 V CB 1.918 33.676 31.823 -0.110 0.000 0.999 202 V HN 0.828 nan 8.190 nan 0.000 0.426 203 D N 2.353 122.750 120.400 -0.005 0.000 2.752 203 D HA 0.458 5.098 4.640 -0.000 0.000 0.313 203 D C -0.308 176.002 176.300 0.018 0.000 1.225 203 D CA 0.303 54.303 54.000 0.000 0.000 0.976 203 D CB 2.650 43.453 40.800 0.005 0.000 1.443 203 D HN 0.619 nan 8.370 nan 0.000 0.515 204 V N -1.237 118.680 119.914 0.004 0.000 3.199 204 V HA 0.559 4.679 4.120 -0.000 0.000 0.331 204 V C 0.020 176.116 176.094 0.002 0.000 1.446 204 V CA -0.306 61.996 62.300 0.003 0.000 1.120 204 V CB 0.155 31.969 31.823 -0.015 0.000 1.051 204 V HN 0.253 nan 8.190 nan 0.000 0.495 205 R N 0.140 120.647 120.500 0.013 0.000 2.628 205 R HA 0.492 4.832 4.340 -0.000 0.000 0.288 205 R C 0.428 176.745 176.300 0.029 0.000 0.980 205 R CA -0.531 55.584 56.100 0.025 0.000 0.891 205 R CB 2.569 32.893 30.300 0.040 0.000 1.188 205 R HN 0.212 nan 8.270 nan 0.000 0.450 206 E N 1.378 121.595 120.200 0.028 0.000 2.086 206 E HA -0.275 4.074 4.350 -0.000 0.000 0.200 206 E C 0.666 177.283 176.600 0.028 0.000 1.012 206 E CA 1.982 58.398 56.400 0.026 0.000 0.812 206 E CB 0.325 30.039 29.700 0.024 0.000 0.743 206 E HN 0.480 nan 8.360 nan 0.000 0.453 207 E N 0.105 120.325 120.200 0.033 0.000 2.152 207 E HA -0.099 4.250 4.350 -0.000 0.000 0.192 207 E C 1.732 178.354 176.600 0.036 0.000 0.983 207 E CA 1.000 57.420 56.400 0.034 0.000 0.818 207 E CB -0.201 29.522 29.700 0.039 0.000 0.758 207 E HN 0.293 nan 8.360 nan 0.000 0.467 208 A N 0.838 123.684 122.820 0.042 0.000 1.898 208 A HA -0.105 4.215 4.320 -0.000 0.000 0.216 208 A C 2.452 180.053 177.584 0.030 0.000 1.181 208 A CA 1.191 53.254 52.037 0.044 0.000 0.620 208 A CB -0.731 18.300 19.000 0.052 0.000 0.819 208 A HN 0.154 nan 8.150 nan 0.000 0.442 209 V N 0.249 120.178 119.914 0.025 0.000 2.407 209 V HA -0.240 3.880 4.120 -0.000 0.000 0.248 209 V C 2.604 178.708 176.094 0.017 0.000 1.055 209 V CA 2.424 64.737 62.300 0.020 0.000 1.049 209 V CB -0.684 31.153 31.823 0.023 0.000 0.662 209 V HN 0.727 nan 8.190 nan 0.000 0.455 210 E N 0.865 121.076 120.200 0.019 0.000 2.106 210 E HA -0.144 4.206 4.350 -0.000 0.000 0.192 210 E C 2.120 178.728 176.600 0.012 0.000 0.984 210 E CA 1.575 57.984 56.400 0.014 0.000 0.806 210 E CB -0.466 29.244 29.700 0.016 0.000 0.750 210 E HN 0.501 nan 8.360 nan 0.000 0.458 211 A N 0.809 123.640 122.820 0.018 0.000 1.902 211 A HA -0.037 4.283 4.320 -0.000 0.000 0.217 211 A C 2.447 180.037 177.584 0.011 0.000 1.181 211 A CA 2.048 54.095 52.037 0.017 0.000 0.623 211 A CB -1.017 17.999 19.000 0.028 0.000 0.818 211 A HN 0.385 nan 8.150 nan 0.000 0.443 212 A N -0.237 122.588 122.820 0.009 0.000 1.972 212 A HA -0.132 4.188 4.320 -0.000 0.000 0.219 212 A C 2.050 179.631 177.584 -0.005 0.000 1.169 212 A CA 2.304 54.341 52.037 0.001 0.000 0.635 212 A CB -0.367 18.632 19.000 -0.002 0.000 0.810 212 A HN 0.452 nan 8.150 nan 0.000 0.446 213 K N 0.203 120.601 120.400 -0.003 0.000 2.057 213 K HA -0.073 4.247 4.320 -0.000 0.000 0.207 213 K C 1.998 178.589 176.600 -0.015 0.000 1.049 213 K CA 1.684 57.964 56.287 -0.012 0.000 0.931 213 K CB -0.337 32.158 32.500 -0.008 0.000 0.714 213 K HN 0.400 nan 8.250 nan 0.000 0.440 214 R N -0.482 120.014 120.500 -0.008 0.000 2.148 214 R HA 0.056 4.396 4.340 -0.000 0.000 0.227 214 R C 2.058 178.353 176.300 -0.009 0.000 1.103 214 R CA 1.079 57.175 56.100 -0.007 0.000 0.983 214 R CB -0.284 30.016 30.300 -0.000 0.000 0.874 214 R HN 0.284 nan 8.270 nan 0.000 0.451 215 A N -0.524 122.292 122.820 -0.007 0.000 2.119 215 A HA 0.133 4.453 4.320 -0.000 0.000 0.217 215 A C 1.455 179.029 177.584 -0.016 0.000 1.153 215 A CA 1.210 53.242 52.037 -0.008 0.000 0.692 215 A CB -0.070 18.926 19.000 -0.006 0.000 0.799 215 A HN 0.455 nan 8.150 nan 0.000 0.458 216 G N -2.729 106.057 108.800 -0.023 0.000 2.183 216 G HA2 0.224 4.184 3.960 -0.000 0.000 0.168 216 G HA3 0.224 4.184 3.960 -0.000 0.000 0.168 216 G C 0.325 175.200 174.900 -0.042 0.000 1.008 216 G CA 0.013 45.094 45.100 -0.032 0.000 0.677 216 G HN 1.432 nan 8.290 nan 0.000 0.498 217 A N 0.536 123.335 122.820 -0.036 0.000 2.511 217 A HA 0.492 4.812 4.320 -0.000 0.000 0.242 217 A C 1.241 178.779 177.584 -0.076 0.000 1.069 217 A CA 0.927 52.943 52.037 -0.035 0.000 0.763 217 A CB 0.275 19.267 19.000 -0.013 0.000 1.001 217 A HN 0.227 nan 8.150 nan 0.000 0.498 218 D N 0.108 120.447 120.400 -0.102 0.000 2.194 218 D HA 0.012 4.652 4.640 -0.000 0.000 0.204 218 D C -0.555 175.422 176.300 -0.539 0.000 0.964 218 D CA 1.779 55.594 54.000 -0.308 0.000 0.846 218 D CB 0.060 40.682 40.800 -0.295 0.000 0.962 218 D HN 0.640 nan 8.370 nan 0.000 0.490 219 Y N -0.552 119.738 120.300 -0.017 0.000 2.470 219 Y HA 0.338 4.888 4.550 -0.000 0.000 0.341 219 Y C -0.211 175.680 175.900 -0.015 0.000 1.021 219 Y CA -1.303 56.790 58.100 -0.012 0.000 1.025 219 Y CB 2.169 40.623 38.460 -0.010 0.000 1.266 219 Y HN -0.323 nan 8.280 nan 0.000 0.448 220 V N 1.336 121.334 119.914 0.140 0.000 2.735 220 V HA 0.799 4.919 4.120 -0.000 0.000 0.310 220 V C -0.908 175.230 176.094 0.074 0.000 1.061 220 V CA -0.966 61.380 62.300 0.075 0.000 0.913 220 V CB 2.049 33.895 31.823 0.039 0.000 1.005 220 V HN 0.699 nan 8.190 nan 0.000 0.428 221 I N 3.107 123.709 120.570 0.053 0.000 2.545 221 I HA 0.483 4.653 4.170 -0.000 0.000 0.292 221 I C -0.755 175.390 176.117 0.047 0.000 1.040 221 I CA -0.569 60.763 61.300 0.054 0.000 1.068 221 I CB 2.281 40.318 38.000 0.062 0.000 1.251 221 I HN 0.700 nan 8.210 nan 0.000 0.424 222 N N 4.178 122.905 118.700 0.046 0.000 2.527 222 N HA 0.331 5.071 4.740 -0.000 0.000 0.236 222 N C 0.534 176.073 175.510 0.049 0.000 0.999 222 N CA -0.171 52.904 53.050 0.041 0.000 0.935 222 N CB 1.880 40.386 38.487 0.032 0.000 1.132 222 N HN 0.799 nan 8.380 nan 0.000 0.511 223 A N 2.462 125.321 122.820 0.065 0.000 2.225 223 A HA -0.056 4.264 4.320 -0.000 0.000 0.215 223 A C 1.842 179.453 177.584 0.045 0.000 1.164 223 A CA 1.061 53.144 52.037 0.076 0.000 0.710 223 A CB -0.028 19.048 19.000 0.127 0.000 0.780 223 A HN 0.608 nan 8.150 nan 0.000 0.473 224 S N -0.806 114.914 115.700 0.033 0.000 2.458 224 S HA 0.035 4.505 4.470 -0.000 0.000 0.223 224 S C 1.736 176.349 174.600 0.021 0.000 1.019 224 S CA 0.903 59.116 58.200 0.022 0.000 0.937 224 S CB -0.075 63.135 63.200 0.017 0.000 0.788 224 S HN 0.528 nan 8.310 nan 0.000 0.511 225 M N 0.933 120.547 119.600 0.024 0.000 2.486 225 M HA 0.231 4.711 4.480 -0.000 0.000 0.264 225 M C 0.546 176.859 176.300 0.022 0.000 1.125 225 M CA 0.597 55.910 55.300 0.022 0.000 1.144 225 M CB -0.717 31.898 32.600 0.023 0.000 1.353 225 M HN 0.400 nan 8.290 nan 0.000 0.466 226 Q N -1.218 118.597 119.800 0.026 0.000 2.590 226 Q HA 0.350 4.689 4.340 -0.000 0.000 0.295 226 Q C -1.224 174.792 176.000 0.026 0.000 0.973 226 Q CA -0.909 54.908 55.803 0.024 0.000 0.768 226 Q CB 1.382 30.135 28.738 0.025 0.000 1.479 226 Q HN -0.101 nan 8.270 nan 0.000 0.419 227 D N 2.084 122.495 120.400 0.018 0.000 2.346 227 D HA 0.082 4.722 4.640 -0.000 0.000 0.260 227 D C -1.332 174.984 176.300 0.028 0.000 1.252 227 D CA -1.674 52.333 54.000 0.013 0.000 0.895 227 D CB 1.207 42.009 40.800 0.003 0.000 1.097 227 D HN 0.355 nan 8.370 nan 0.000 0.489 228 P HA -0.113 nan 4.420 nan 0.000 0.220 228 P C 1.842 179.193 177.300 0.086 0.000 1.148 228 P CA 0.544 63.705 63.100 0.103 0.000 0.803 228 P CB 0.528 32.361 31.700 0.221 0.000 0.782 229 L N -0.427 120.817 121.223 0.035 0.000 2.056 229 L HA -0.084 4.256 4.340 -0.000 0.000 0.207 229 L C 2.832 179.714 176.870 0.020 0.000 1.078 229 L CA 1.464 56.321 54.840 0.028 0.000 0.749 229 L CB -1.169 40.886 42.059 -0.005 0.000 0.901 229 L HN -0.060 nan 8.230 nan 0.000 0.433 230 A N -0.523 122.303 122.820 0.010 0.000 1.902 230 A HA -0.200 4.120 4.320 -0.000 0.000 0.217 230 A C 2.258 179.841 177.584 -0.002 0.000 1.181 230 A CA 1.448 53.487 52.037 0.003 0.000 0.623 230 A CB -0.358 18.644 19.000 0.002 0.000 0.818 230 A HN 0.297 nan 8.150 nan 0.000 0.443 231 E N -0.007 120.195 120.200 0.004 0.000 2.072 231 E HA -0.115 4.235 4.350 -0.000 0.000 0.191 231 E C 1.962 178.537 176.600 -0.042 0.000 0.985 231 E CA 0.999 57.392 56.400 -0.013 0.000 0.801 231 E CB -0.306 29.398 29.700 0.006 0.000 0.750 231 E HN 0.713 nan 8.360 nan 0.000 0.452 232 I N 0.278 120.841 120.570 -0.013 0.000 2.394 232 I HA -0.235 3.935 4.170 -0.000 0.000 0.251 232 I C 2.708 178.801 176.117 -0.041 0.000 1.136 232 I CA 0.800 62.083 61.300 -0.028 0.000 1.425 232 I CB -0.208 37.813 38.000 0.036 0.000 1.079 232 I HN 0.002 nan 8.210 nan 0.000 0.425 233 R N 0.952 121.440 120.500 -0.020 0.000 2.075 233 R HA -0.164 4.176 4.340 -0.000 0.000 0.232 233 R C 2.516 178.792 176.300 -0.040 0.000 1.126 233 R CA 1.293 57.381 56.100 -0.020 0.000 0.963 233 R CB -0.126 30.170 30.300 -0.006 0.000 0.858 233 R HN 0.203 nan 8.270 nan 0.000 0.435 234 R N 0.361 120.831 120.500 -0.050 0.000 2.066 234 R HA -0.080 4.260 4.340 -0.000 0.000 0.232 234 R C 2.211 178.447 176.300 -0.106 0.000 1.131 234 R CA 1.712 57.775 56.100 -0.061 0.000 0.955 234 R CB -0.263 30.006 30.300 -0.052 0.000 0.851 234 R HN 0.241 nan 8.270 nan 0.000 0.432 235 I N 0.436 120.899 120.570 -0.178 0.000 2.226 235 I HA -0.237 3.933 4.170 -0.000 0.000 0.245 235 I C 2.016 178.008 176.117 -0.209 0.000 1.100 235 I CA 1.840 62.949 61.300 -0.318 0.000 1.374 235 I CB -0.327 37.343 38.000 -0.550 0.000 1.057 235 I HN 0.359 nan 8.210 nan 0.000 0.413 236 T N -2.601 111.872 114.554 -0.134 0.000 3.144 236 T HA 0.129 4.479 4.350 -0.000 0.000 0.249 236 T C 0.532 175.202 174.700 -0.049 0.000 1.089 236 T CA -0.220 61.833 62.100 -0.079 0.000 0.989 236 T CB -0.338 68.497 68.868 -0.055 0.000 0.992 236 T HN 0.419 nan 8.240 nan 0.000 0.540 237 E N 0.814 120.984 120.200 -0.051 0.000 2.360 237 E HA -0.228 4.122 4.350 -0.000 0.000 0.238 237 E C 0.283 176.871 176.600 -0.020 0.000 1.186 237 E CA 0.305 56.686 56.400 -0.031 0.000 0.719 237 E CB -2.187 27.499 29.700 -0.022 0.000 1.236 237 E HN 0.629 nan 8.360 nan 0.000 0.386 238 S N -2.486 113.202 115.700 -0.020 0.000 2.929 238 S HA -0.308 4.162 4.470 -0.000 0.000 0.271 238 S C 1.212 175.809 174.600 -0.005 0.000 1.295 238 S CA 1.805 60.000 58.200 -0.009 0.000 1.277 238 S CB -0.758 62.439 63.200 -0.005 0.000 1.557 238 S HN 0.555 nan 8.310 nan 0.000 0.666 239 K N 1.717 122.111 120.400 -0.010 0.000 2.186 239 K HA 0.281 4.601 4.320 -0.000 0.000 0.202 239 K C 1.157 177.756 176.600 -0.002 0.000 1.052 239 K CA 1.203 57.487 56.287 -0.006 0.000 0.965 239 K CB -0.187 32.307 32.500 -0.010 0.000 0.746 239 K HN 0.825 nan 8.250 nan 0.000 0.457 240 G N 0.484 109.282 108.800 -0.004 0.000 2.757 240 G HA2 -0.213 3.747 3.960 -0.000 0.000 0.638 240 G HA3 -0.213 3.747 3.960 -0.000 0.000 0.638 240 G C -0.532 174.365 174.900 -0.005 0.000 1.344 240 G CA -0.363 44.740 45.100 0.005 0.000 0.855 240 G HN 0.458 nan 8.290 nan 0.000 0.537 241 V N -2.245 117.669 119.914 -0.000 0.000 2.539 241 V HA 0.672 4.792 4.120 -0.000 0.000 0.292 241 V C 0.963 177.042 176.094 -0.026 0.000 1.045 241 V CA 0.352 62.641 62.300 -0.018 0.000 0.945 241 V CB 1.854 33.663 31.823 -0.025 0.000 0.993 241 V HN 0.713 nan 8.190 nan 0.000 0.464 242 D N 2.600 122.979 120.400 -0.036 0.000 2.317 242 D HA 0.262 4.902 4.640 -0.000 0.000 0.211 242 D C 0.686 176.949 176.300 -0.061 0.000 0.966 242 D CA 1.674 55.648 54.000 -0.043 0.000 0.876 242 D CB 0.877 41.654 40.800 -0.039 0.000 0.927 242 D HN 0.928 nan 8.370 nan 0.000 0.519 243 A N 0.222 122.997 122.820 -0.075 0.000 2.589 243 A HA 0.524 4.844 4.320 -0.000 0.000 0.296 243 A C -1.243 176.249 177.584 -0.155 0.000 1.062 243 A CA -0.563 51.408 52.037 -0.110 0.000 0.686 243 A CB 1.876 20.812 19.000 -0.107 0.000 1.282 243 A HN -0.088 nan 8.150 nan 0.000 0.404 244 V N 2.295 122.059 119.914 -0.250 0.000 2.656 244 V HA 0.516 4.636 4.120 -0.000 0.000 0.307 244 V C -0.648 175.168 176.094 -0.462 0.000 1.051 244 V CA -0.260 61.802 62.300 -0.396 0.000 0.893 244 V CB 1.822 33.258 31.823 -0.645 0.000 0.999 244 V HN 0.732 nan 8.190 nan 0.000 0.426 245 I N 3.572 123.919 120.570 -0.372 0.000 2.405 245 I HA 0.324 4.494 4.170 -0.000 0.000 0.280 245 I C -0.695 175.229 176.117 -0.322 0.000 1.027 245 I CA -0.252 60.866 61.300 -0.304 0.000 1.161 245 I CB 1.392 39.274 38.000 -0.197 0.000 1.300 245 I HN 0.553 nan 8.210 nan 0.000 0.463 246 D N 7.536 127.725 120.400 -0.352 0.000 2.347 246 D HA 0.232 4.872 4.640 -0.000 0.000 0.235 246 D C 0.317 176.509 176.300 -0.180 0.000 1.149 246 D CA -0.172 53.678 54.000 -0.250 0.000 0.850 246 D CB 1.319 42.045 40.800 -0.123 0.000 1.061 246 D HN 0.442 nan 8.370 nan 0.000 0.487 247 L N 3.654 124.757 121.223 -0.199 0.000 2.783 247 L HA 0.217 4.557 4.340 -0.000 0.000 0.236 247 L C 0.833 177.474 176.870 -0.382 0.000 1.225 247 L CA -0.119 54.601 54.840 -0.200 0.000 1.026 247 L CB -0.210 41.769 42.059 -0.133 0.000 1.314 247 L HN 0.192 nan 8.230 nan 0.000 0.489 248 N N 0.067 118.488 118.700 -0.464 0.000 3.166 248 N HA 0.079 4.819 4.740 -0.000 0.000 0.242 248 N C 0.028 175.224 175.510 -0.522 0.000 1.017 248 N CA -0.021 52.451 53.050 -0.963 0.000 1.113 248 N CB 0.184 38.279 38.487 -0.655 0.000 1.629 248 N HN 0.038 nan 8.380 nan 0.000 0.601 249 N N -0.149 118.456 118.700 -0.157 0.000 2.738 249 N HA -0.150 4.590 4.740 -0.000 0.000 0.249 249 N C -1.139 174.417 175.510 0.078 0.000 1.047 249 N CA 0.461 53.523 53.050 0.021 0.000 0.707 249 N CB -0.777 37.728 38.487 0.030 0.000 0.937 249 N HN 0.404 nan 8.380 nan 0.000 0.545 250 S N -0.897 114.872 115.700 0.115 0.000 2.745 250 S HA 0.467 4.937 4.470 -0.000 0.000 0.292 250 S C 1.313 175.997 174.600 0.141 0.000 1.133 250 S CA -0.501 57.827 58.200 0.213 0.000 0.998 250 S CB 1.524 64.934 63.200 0.350 0.000 1.087 250 S HN 0.246 nan 8.310 nan 0.000 0.551 251 E N 1.086 121.359 120.200 0.122 0.000 2.204 251 E HA -0.111 4.239 4.350 -0.000 0.000 0.195 251 E C 1.410 178.051 176.600 0.068 0.000 0.990 251 E CA 1.200 57.645 56.400 0.075 0.000 0.821 251 E CB -0.448 29.284 29.700 0.053 0.000 0.750 251 E HN 0.693 nan 8.360 nan 0.000 0.477 252 K N 0.261 120.716 120.400 0.092 0.000 2.097 252 K HA -0.068 4.251 4.320 -0.000 0.000 0.205 252 K C 2.332 178.979 176.600 0.080 0.000 1.050 252 K CA 1.812 58.143 56.287 0.074 0.000 0.938 252 K CB -0.272 32.284 32.500 0.093 0.000 0.718 252 K HN 0.432 nan 8.250 nan 0.000 0.442 253 T N -0.482 114.161 114.554 0.148 0.000 2.939 253 T HA 0.043 4.393 4.350 -0.000 0.000 0.254 253 T C 1.997 176.830 174.700 0.221 0.000 1.041 253 T CA 0.290 62.549 62.100 0.265 0.000 1.142 253 T CB -0.358 68.701 68.868 0.320 0.000 0.874 253 T HN 0.023 nan 8.240 nan 0.000 0.452 254 L N 2.329 123.637 121.223 0.140 0.000 2.265 254 L HA 0.007 4.347 4.340 -0.000 0.000 0.215 254 L C 2.651 179.530 176.870 0.015 0.000 1.117 254 L CA 1.359 56.229 54.840 0.049 0.000 0.782 254 L CB -0.530 41.535 42.059 0.010 0.000 0.914 254 L HN 0.516 nan 8.230 nan 0.000 0.441 255 S N -2.565 113.149 115.700 0.022 0.000 2.605 255 S HA 0.141 4.611 4.470 -0.000 0.000 0.217 255 S C 1.109 175.695 174.600 -0.023 0.000 0.958 255 S CA -0.246 57.965 58.200 0.018 0.000 0.919 255 S CB 0.529 63.731 63.200 0.002 0.000 0.780 255 S HN 0.117 nan 8.310 nan 0.000 0.507 256 V N -0.540 119.320 119.914 -0.091 0.000 3.449 256 V HA 0.192 4.312 4.120 -0.000 0.000 0.208 256 V C 1.459 177.412 176.094 -0.234 0.000 1.269 256 V CA 0.247 62.394 62.300 -0.255 0.000 1.301 256 V CB -0.848 30.634 31.823 -0.569 0.000 1.306 256 V HN 0.381 nan 8.190 nan 0.000 0.531 257 Y N 1.018 121.397 120.300 0.132 0.000 2.333 257 Y HA -0.046 4.504 4.550 -0.000 0.000 0.290 257 Y C -0.319 175.711 175.900 0.217 0.000 1.144 257 Y CA 1.054 59.270 58.100 0.194 0.000 1.228 257 Y CB -2.093 36.526 38.460 0.265 0.000 0.985 257 Y HN 0.385 nan 8.280 nan 0.000 0.542 258 P HA -0.157 nan 4.420 nan 0.000 0.219 258 P C 0.878 178.196 177.300 0.029 0.000 1.146 258 P CA 1.762 64.814 63.100 -0.079 0.000 0.808 258 P CB -0.042 31.377 31.700 -0.469 0.000 0.779 259 K N -0.746 119.737 120.400 0.138 0.000 2.439 259 K HA 0.075 4.395 4.320 -0.000 0.000 0.197 259 K C 1.714 178.388 176.600 0.125 0.000 1.041 259 K CA 0.905 57.299 56.287 0.178 0.000 0.970 259 K CB -0.221 32.364 32.500 0.143 0.000 0.773 259 K HN 0.083 nan 8.250 nan 0.000 0.479 260 A N 0.837 123.738 122.820 0.134 0.000 2.275 260 A HA 0.152 4.472 4.320 -0.000 0.000 0.212 260 A C 0.614 178.251 177.584 0.088 0.000 1.201 260 A CA -0.176 51.931 52.037 0.118 0.000 0.843 260 A CB -0.014 19.090 19.000 0.174 0.000 0.873 260 A HN 0.098 nan 8.150 nan 0.000 0.492 261 L N 0.742 122.014 121.223 0.082 0.000 2.426 261 L HA 0.367 4.707 4.340 -0.000 0.000 0.271 261 L C 0.939 177.821 176.870 0.021 0.000 1.169 261 L CA -0.506 54.356 54.840 0.036 0.000 0.836 261 L CB 0.949 43.003 42.059 -0.008 0.000 1.112 261 L HN 0.330 nan 8.230 nan 0.000 0.465 262 A N 4.281 127.102 122.820 0.002 0.000 2.259 262 A HA 0.354 4.674 4.320 -0.000 0.000 0.278 262 A C -0.029 177.551 177.584 -0.007 0.000 1.107 262 A CA -0.564 51.473 52.037 -0.000 0.000 0.828 262 A CB 0.313 19.307 19.000 -0.009 0.000 1.111 262 A HN 0.706 nan 8.150 nan 0.000 0.498 263 K N 0.304 120.702 120.400 -0.003 0.000 2.436 263 K HA 0.150 4.470 4.320 -0.000 0.000 0.275 263 K C 0.001 176.590 176.600 -0.019 0.000 0.999 263 K CA 0.529 56.813 56.287 -0.006 0.000 0.980 263 K CB 0.178 32.678 32.500 -0.000 0.000 0.919 263 K HN 0.702 nan 8.250 nan 0.000 0.484 264 Q N -1.166 118.617 119.800 -0.028 0.000 2.374 264 Q HA -0.162 4.178 4.340 -0.000 0.000 0.218 264 Q C 0.345 176.311 176.000 -0.056 0.000 0.691 264 Q CA 0.682 56.462 55.803 -0.038 0.000 1.340 264 Q CB -1.690 27.031 28.738 -0.028 0.000 1.498 264 Q HN 0.925 nan 8.270 nan 0.000 0.739 265 G N 1.254 110.015 108.800 -0.065 0.000 2.432 265 G HA2 0.227 4.187 3.960 -0.000 0.000 0.239 265 G HA3 0.227 4.187 3.960 -0.000 0.000 0.239 265 G C -0.294 174.536 174.900 -0.116 0.000 1.291 265 G CA -0.101 44.952 45.100 -0.078 0.000 0.863 265 G HN 0.041 nan 8.290 nan 0.000 0.560 266 K N 1.267 121.606 120.400 -0.101 0.000 2.293 266 K HA 0.182 4.502 4.320 -0.000 0.000 0.267 266 K C -1.438 175.101 176.600 -0.102 0.000 1.010 266 K CA -0.611 55.611 56.287 -0.108 0.000 0.875 266 K CB 1.990 34.441 32.500 -0.082 0.000 1.106 266 K HN 0.543 nan 8.250 nan 0.000 0.450 267 Y N 3.385 123.542 120.300 -0.238 0.000 2.594 267 Y HA 0.153 4.703 4.550 -0.000 0.000 0.342 267 Y C -0.491 175.377 175.900 -0.053 0.000 1.010 267 Y CA -0.723 57.283 58.100 -0.156 0.000 1.270 267 Y CB 0.621 38.942 38.460 -0.232 0.000 1.125 267 Y HN 0.243 nan 8.280 nan 0.000 0.513 268 V N 7.657 127.480 119.914 -0.152 0.000 2.408 268 V HA 0.146 4.266 4.120 -0.000 0.000 0.267 268 V C 0.128 176.188 176.094 -0.057 0.000 1.047 268 V CA -0.163 62.094 62.300 -0.072 0.000 0.937 268 V CB 0.548 32.303 31.823 -0.114 0.000 0.999 268 V HN 0.730 nan 8.190 nan 0.000 0.472 269 M N 5.200 124.838 119.600 0.064 0.000 2.111 269 M HA 0.301 4.781 4.480 -0.000 0.000 0.351 269 M C 0.374 176.675 176.300 0.001 0.000 1.214 269 M CA -0.118 55.230 55.300 0.081 0.000 1.120 269 M CB 1.325 34.025 32.600 0.167 0.000 1.443 269 M HN 0.473 nan 8.290 nan 0.000 0.429 270 V N 1.499 121.387 119.914 -0.043 0.000 2.908 270 V HA 0.190 4.310 4.120 -0.000 0.000 0.240 270 V C 1.347 177.404 176.094 -0.062 0.000 1.117 270 V CA 0.524 62.784 62.300 -0.066 0.000 1.133 270 V CB 0.078 31.851 31.823 -0.083 0.000 0.857 270 V HN 0.949 nan 8.190 nan 0.000 0.478 271 G N 0.171 108.917 108.800 -0.090 0.000 2.559 271 G HA2 0.294 4.254 3.960 -0.000 0.000 0.235 271 G HA3 0.294 4.254 3.960 -0.000 0.000 0.235 271 G C -0.075 174.808 174.900 -0.029 0.000 1.266 271 G CA -0.031 44.993 45.100 -0.126 0.000 0.847 271 G HN 0.363 nan 8.290 nan 0.000 0.583 272 L N 1.814 123.096 121.223 0.100 0.000 3.218 272 L HA 0.238 4.578 4.340 -0.000 0.000 0.279 272 L C 0.933 177.911 176.870 0.179 0.000 1.287 272 L CA -0.455 54.465 54.840 0.133 0.000 1.024 272 L CB 0.135 42.298 42.059 0.172 0.000 1.409 272 L HN 0.422 nan 8.230 nan 0.000 0.580 273 F N 1.306 121.278 119.950 0.038 0.000 2.333 273 F HA 0.023 4.550 4.527 -0.000 0.000 0.300 273 F C 1.968 177.793 175.800 0.042 0.000 1.083 273 F CA 1.012 59.066 58.000 0.091 0.000 1.395 273 F CB -0.526 38.561 39.000 0.145 0.000 1.056 273 F HN 0.364 nan 8.300 nan 0.000 0.529 274 G N -0.884 108.038 108.800 0.203 0.000 2.135 274 G HA2 0.028 3.988 3.960 -0.000 0.000 0.183 274 G HA3 0.028 3.988 3.960 -0.000 0.000 0.183 274 G C 0.367 175.330 174.900 0.105 0.000 1.004 274 G CA -0.060 45.113 45.100 0.122 0.000 0.677 274 G HN 0.633 nan 8.290 nan 0.000 0.512 275 A N -0.520 122.367 122.820 0.112 0.000 2.257 275 A HA 0.736 5.056 4.320 -0.000 0.000 0.290 275 A C -0.080 177.535 177.584 0.051 0.000 1.201 275 A CA -0.226 51.860 52.037 0.081 0.000 0.863 275 A CB 0.664 19.717 19.000 0.088 0.000 1.256 275 A HN 0.196 nan 8.150 nan 0.000 0.506 276 D N 0.110 120.532 120.400 0.038 0.000 2.256 276 D HA 0.409 5.049 4.640 -0.000 0.000 0.246 276 D C -0.792 175.512 176.300 0.006 0.000 1.042 276 D CA -0.245 53.769 54.000 0.023 0.000 0.841 276 D CB 1.898 42.720 40.800 0.036 0.000 1.223 276 D HN 0.327 nan 8.370 nan 0.000 0.470 277 L N 3.121 124.314 121.223 -0.051 0.000 2.410 277 L HA 0.175 4.515 4.340 -0.000 0.000 0.273 277 L C -0.576 176.252 176.870 -0.070 0.000 1.152 277 L CA 0.400 55.153 54.840 -0.147 0.000 0.855 277 L CB 0.272 42.143 42.059 -0.314 0.000 1.129 277 L HN 0.368 nan 8.230 nan 0.000 0.463 278 H N 5.442 124.432 119.070 -0.135 0.000 3.108 278 H HA 0.314 4.870 4.556 -0.000 0.000 0.329 278 H C -2.189 173.178 175.328 0.064 0.000 0.978 278 H CA -0.424 55.597 56.048 -0.046 0.000 1.413 278 H CB 0.822 30.572 29.762 -0.020 0.000 1.670 278 H HN 0.764 nan 8.280 nan 0.000 0.512 279 Y N 3.389 123.521 120.300 -0.281 0.000 2.519 279 Y HA 0.140 4.690 4.550 -0.000 0.000 0.336 279 Y C -0.721 175.135 175.900 -0.072 0.000 1.089 279 Y CA -0.946 57.098 58.100 -0.094 0.000 1.025 279 Y CB 1.237 39.651 38.460 -0.077 0.000 1.318 279 Y HN 0.719 nan 8.280 nan 0.000 0.452 280 H N 3.943 122.790 119.070 -0.372 0.000 3.091 280 H HA 0.257 4.813 4.556 -0.000 0.000 0.289 280 H C 0.792 176.061 175.328 -0.098 0.000 0.995 280 H CA 0.694 56.601 56.048 -0.235 0.000 1.461 280 H CB 1.367 30.976 29.762 -0.255 0.000 1.510 280 H HN 0.845 nan 8.280 nan 0.000 0.546 281 A N 7.106 129.750 122.820 -0.293 0.000 1.892 281 A HA -0.138 4.182 4.320 -0.000 0.000 0.218 281 A C -0.345 177.124 177.584 -0.191 0.000 1.188 281 A CA 1.455 53.382 52.037 -0.183 0.000 0.631 281 A CB -1.289 17.606 19.000 -0.175 0.000 0.822 281 A HN 0.666 nan 8.150 nan 0.000 0.447 282 P HA -0.117 nan 4.420 nan 0.000 0.219 282 P C 1.432 178.693 177.300 -0.065 0.000 1.146 282 P CA 0.623 63.604 63.100 -0.199 0.000 0.808 282 P CB -0.004 31.551 31.700 -0.242 0.000 0.779 283 L N -1.039 120.161 121.223 -0.039 0.000 2.109 283 L HA -0.071 4.269 4.340 -0.000 0.000 0.207 283 L C 2.089 179.049 176.870 0.150 0.000 1.086 283 L CA 1.526 56.408 54.840 0.070 0.000 0.760 283 L CB -1.048 41.029 42.059 0.029 0.000 0.910 283 L HN -0.076 nan 8.230 nan 0.000 0.437 284 I N -1.569 119.109 120.570 0.180 0.000 2.163 284 I HA -0.282 3.888 4.170 -0.000 0.000 0.240 284 I C 2.174 178.340 176.117 0.081 0.000 1.081 284 I CA 1.514 62.926 61.300 0.187 0.000 1.353 284 I CB -0.748 37.392 38.000 0.234 0.000 1.054 284 I HN 0.198 nan 8.210 nan 0.000 0.407 285 T N 1.796 116.377 114.554 0.045 0.000 2.652 285 T HA -0.147 4.203 4.350 -0.000 0.000 0.267 285 T C 1.950 176.660 174.700 0.017 0.000 1.039 285 T CA 1.399 63.510 62.100 0.019 0.000 1.153 285 T CB -0.463 68.402 68.868 -0.004 0.000 0.863 285 T HN 0.238 nan 8.240 nan 0.000 0.428 286 L N 0.815 122.050 121.223 0.019 0.000 2.191 286 L HA -0.030 4.310 4.340 -0.000 0.000 0.212 286 L C 2.337 179.221 176.870 0.024 0.000 1.103 286 L CA 0.912 55.764 54.840 0.020 0.000 0.769 286 L CB -0.406 41.666 42.059 0.021 0.000 0.908 286 L HN 0.214 nan 8.230 nan 0.000 0.438 287 S N -1.568 114.153 115.700 0.035 0.000 2.524 287 S HA 0.049 4.519 4.470 -0.000 0.000 0.215 287 S C 0.464 175.068 174.600 0.008 0.000 0.986 287 S CA -0.261 57.956 58.200 0.028 0.000 0.911 287 S CB 0.237 63.467 63.200 0.049 0.000 0.805 287 S HN 0.338 nan 8.310 nan 0.000 0.501 288 E N 1.291 121.495 120.200 0.007 0.000 2.440 288 E HA -0.208 4.142 4.350 -0.000 0.000 0.246 288 E C 0.055 176.633 176.600 -0.037 0.000 1.165 288 E CA 0.482 56.877 56.400 -0.008 0.000 0.726 288 E CB -1.744 27.951 29.700 -0.009 0.000 1.271 288 E HN 0.720 nan 8.360 nan 0.000 0.397 289 I N -2.211 118.324 120.570 -0.058 0.000 2.886 289 I HA 0.257 4.427 4.170 -0.000 0.000 0.299 289 I C 0.442 176.440 176.117 -0.199 0.000 1.044 289 I CA -0.517 60.689 61.300 -0.158 0.000 1.310 289 I CB 0.644 38.491 38.000 -0.255 0.000 1.441 289 I HN -0.074 nan 8.210 nan 0.000 0.578 290 Q N 2.528 122.150 119.800 -0.297 0.000 2.397 290 Q HA 0.549 4.889 4.340 -0.000 0.000 0.275 290 Q C -1.848 173.924 176.000 -0.380 0.000 1.090 290 Q CA -0.567 55.107 55.803 -0.216 0.000 0.809 290 Q CB 2.813 31.501 28.738 -0.084 0.000 1.362 290 Q HN 0.560 nan 8.270 nan 0.000 0.431 291 F N 1.330 121.291 119.950 0.018 0.000 2.403 291 F HA 0.411 4.938 4.527 -0.000 0.000 0.355 291 F C -0.225 175.599 175.800 0.039 0.000 1.119 291 F CA -0.952 57.071 58.000 0.039 0.000 1.007 291 F CB 1.814 40.800 39.000 -0.024 0.000 1.194 291 F HN 0.306 nan 8.300 nan 0.000 0.443 292 V N 1.168 121.189 119.914 0.178 0.000 2.487 292 V HA 0.955 5.074 4.120 -0.000 0.000 0.298 292 V C 0.031 176.178 176.094 0.088 0.000 1.028 292 V CA -0.644 61.719 62.300 0.105 0.000 0.860 292 V CB 1.136 32.989 31.823 0.050 0.000 0.991 292 V HN 0.763 nan 8.190 nan 0.000 0.427 293 G N 2.762 111.603 108.800 0.067 0.000 2.415 293 G HA2 0.507 4.467 3.960 -0.000 0.000 0.269 293 G HA3 0.507 4.467 3.960 -0.000 0.000 0.269 293 G C -0.354 174.555 174.900 0.015 0.000 1.209 293 G CA -0.217 44.906 45.100 0.037 0.000 0.835 293 G HN 1.184 nan 8.290 nan 0.000 0.534 294 S N 0.311 116.003 115.700 -0.014 0.000 2.594 294 S HA 0.531 5.001 4.470 -0.000 0.000 0.296 294 S C -1.277 173.274 174.600 -0.081 0.000 1.124 294 S CA -0.593 57.588 58.200 -0.032 0.000 1.011 294 S CB 1.225 64.398 63.200 -0.046 0.000 1.016 294 S HN 0.587 nan 8.310 nan 0.000 0.485 295 L N 7.637 128.811 121.223 -0.083 0.000 2.349 295 L HA 0.619 4.959 4.340 -0.000 0.000 0.278 295 L C 0.742 177.400 176.870 -0.354 0.000 0.996 295 L CA 0.103 54.826 54.840 -0.194 0.000 0.825 295 L CB 1.079 43.078 42.059 -0.100 0.000 1.243 295 L HN 0.828 nan 8.230 nan 0.000 0.412 296 V N 2.845 122.415 119.914 -0.572 0.000 0.690 296 V HA -0.144 3.976 4.120 -0.000 0.000 0.092 296 V C 0.463 176.220 176.094 -0.562 0.000 0.783 296 V CA 0.893 62.738 62.300 -0.758 0.000 3.099 296 V CB -2.088 28.688 31.823 -1.745 0.000 0.191 296 V HN 1.756 nan 8.190 nan 0.000 0.090 297 G N 0.020 108.410 108.800 -0.683 0.000 2.523 297 G HA2 0.692 4.652 3.960 -0.000 0.000 0.291 297 G HA3 0.692 4.652 3.960 -0.000 0.000 0.291 297 G C -1.191 173.416 174.900 -0.488 0.000 1.450 297 G CA -0.311 44.453 45.100 -0.560 0.000 0.790 297 G HN 1.820 nan 8.290 nan 0.000 0.496 298 N N -0.679 117.856 118.700 -0.275 0.000 2.491 298 N HA 0.270 5.010 4.740 -0.000 0.000 0.279 298 N C 1.068 176.646 175.510 0.114 0.000 1.236 298 N CA -0.676 52.404 53.050 0.049 0.000 0.982 298 N CB 0.693 39.279 38.487 0.165 0.000 1.194 298 N HN 0.342 nan 8.380 nan 0.000 0.582 299 Q N -0.487 119.396 119.800 0.139 0.000 2.181 299 Q HA -0.162 4.178 4.340 -0.000 0.000 0.205 299 Q C 1.605 177.677 176.000 0.119 0.000 0.980 299 Q CA 1.541 57.414 55.803 0.116 0.000 0.862 299 Q CB -0.512 28.224 28.738 -0.005 0.000 0.905 299 Q HN 0.777 nan 8.270 nan 0.000 0.429 300 S N 0.711 116.457 115.700 0.077 0.000 2.368 300 S HA -0.136 4.334 4.470 -0.000 0.000 0.224 300 S C 1.373 175.977 174.600 0.007 0.000 1.029 300 S CA 1.227 59.458 58.200 0.050 0.000 0.988 300 S CB 0.016 63.251 63.200 0.059 0.000 0.838 300 S HN 0.277 nan 8.310 nan 0.000 0.462 301 D N 0.401 120.809 120.400 0.014 0.000 2.117 301 D HA -0.081 4.559 4.640 -0.000 0.000 0.197 301 D C 1.616 177.769 176.300 -0.244 0.000 0.987 301 D CA 0.926 54.866 54.000 -0.100 0.000 0.829 301 D CB -0.538 40.274 40.800 0.021 0.000 0.961 301 D HN 0.465 nan 8.370 nan 0.000 0.460 302 F N 1.486 121.324 119.950 -0.186 0.000 2.095 302 F HA -0.198 4.329 4.527 -0.000 0.000 0.298 302 F C 2.190 177.841 175.800 -0.248 0.000 1.104 302 F CA 0.837 58.737 58.000 -0.166 0.000 1.232 302 F CB -0.507 38.476 39.000 -0.028 0.000 0.987 302 F HN -0.134 nan 8.300 nan 0.000 0.475 303 L N 0.448 121.583 121.223 -0.146 0.000 2.042 303 L HA -0.086 4.253 4.340 -0.000 0.000 0.210 303 L C 2.664 179.324 176.870 -0.350 0.000 1.076 303 L CA 2.140 56.856 54.840 -0.207 0.000 0.749 303 L CB -1.553 40.495 42.059 -0.018 0.000 0.893 303 L HN 0.265 nan 8.230 nan 0.000 0.432 304 G N -0.879 107.657 108.800 -0.439 0.000 2.421 304 G HA2 -0.300 3.660 3.960 -0.000 0.000 0.216 304 G HA3 -0.300 3.660 3.960 -0.000 0.000 0.216 304 G C 1.606 176.076 174.900 -0.717 0.000 1.171 304 G CA 0.948 45.687 45.100 -0.602 0.000 0.775 304 G HN 0.381 nan 8.290 nan 0.000 0.543 305 I N 0.426 120.447 120.570 -0.915 0.000 2.353 305 I HA -0.010 4.160 4.170 -0.000 0.000 0.248 305 I C 2.498 178.358 176.117 -0.429 0.000 1.119 305 I CA 0.921 61.921 61.300 -0.500 0.000 1.417 305 I CB -0.096 37.703 38.000 -0.335 0.000 1.078 305 I HN 0.030 nan 8.210 nan 0.000 0.421 306 M N -0.075 119.123 119.600 -0.670 0.000 2.117 306 M HA -0.119 4.361 4.480 -0.000 0.000 0.262 306 M C 2.276 178.237 176.300 -0.565 0.000 1.065 306 M CA 1.475 56.270 55.300 -0.841 0.000 1.114 306 M CB -1.330 30.243 32.600 -1.712 0.000 1.361 306 M HN 0.205 nan 8.290 nan 0.000 0.408 307 R N -0.091 120.166 120.500 -0.405 0.000 2.115 307 R HA -0.042 4.298 4.340 -0.000 0.000 0.226 307 R C 2.191 178.434 176.300 -0.095 0.000 1.100 307 R CA 0.839 56.848 56.100 -0.151 0.000 0.980 307 R CB -1.000 29.259 30.300 -0.068 0.000 0.875 307 R HN 0.282 nan 8.270 nan 0.000 0.445 308 L N 0.821 121.982 121.223 -0.103 0.000 2.046 308 L HA -0.067 4.273 4.340 -0.000 0.000 0.208 308 L C 2.210 179.055 176.870 -0.042 0.000 1.077 308 L CA 1.909 56.730 54.840 -0.030 0.000 0.747 308 L CB -0.554 41.525 42.059 0.033 0.000 0.896 308 L HN 0.105 nan 8.230 nan 0.000 0.432 309 A N -1.333 121.436 122.820 -0.085 0.000 1.929 309 A HA -0.111 4.209 4.320 -0.000 0.000 0.216 309 A C 2.138 179.692 177.584 -0.050 0.000 1.176 309 A CA 1.180 53.177 52.037 -0.067 0.000 0.628 309 A CB -0.479 18.464 19.000 -0.095 0.000 0.816 309 A HN 0.485 nan 8.150 nan 0.000 0.444 310 E N 0.006 120.169 120.200 -0.062 0.000 2.153 310 E HA -0.131 4.219 4.350 -0.000 0.000 0.194 310 E C 1.996 178.597 176.600 0.002 0.000 0.988 310 E CA 1.086 57.480 56.400 -0.010 0.000 0.811 310 E CB -0.265 29.456 29.700 0.034 0.000 0.746 310 E HN 0.576 nan 8.360 nan 0.000 0.466 311 A N 0.091 122.907 122.820 -0.006 0.000 2.238 311 A HA 0.214 4.534 4.320 -0.000 0.000 0.208 311 A C 1.689 179.272 177.584 -0.001 0.000 1.177 311 A CA 0.980 53.018 52.037 0.001 0.000 0.804 311 A CB -0.260 18.741 19.000 0.001 0.000 0.823 311 A HN 0.285 nan 8.150 nan 0.000 0.482 312 G N -0.365 108.432 108.800 -0.005 0.000 2.153 312 G HA2 -0.316 3.644 3.960 -0.000 0.000 0.252 312 G HA3 -0.316 3.644 3.960 -0.000 0.000 0.252 312 G C 0.823 175.721 174.900 -0.004 0.000 0.994 312 G CA 0.873 45.970 45.100 -0.004 0.000 0.698 312 G HN 0.575 nan 8.290 nan 0.000 0.521 313 K N -0.761 119.636 120.400 -0.004 0.000 2.365 313 K HA 0.361 4.681 4.320 -0.000 0.000 0.197 313 K C 1.090 177.689 176.600 -0.001 0.000 1.042 313 K CA 1.261 57.547 56.287 -0.001 0.000 0.987 313 K CB 0.455 32.957 32.500 0.003 0.000 0.779 313 K HN 0.918 nan 8.250 nan 0.000 0.484 314 V N -1.945 117.968 119.914 -0.002 0.000 3.114 314 V HA 0.560 4.680 4.120 -0.000 0.000 0.308 314 V C -1.441 174.651 176.094 -0.004 0.000 1.168 314 V CA -1.192 61.108 62.300 0.000 0.000 1.015 314 V CB 2.168 33.997 31.823 0.010 0.000 1.050 314 V HN -0.012 nan 8.190 nan 0.000 0.433 315 K N 2.611 123.011 120.400 0.000 0.000 2.589 315 K HA 0.559 4.879 4.320 -0.000 0.000 0.253 315 K C -3.149 173.455 176.600 0.007 0.000 0.974 315 K CA -1.481 54.806 56.287 0.001 0.000 0.835 315 K CB 2.673 35.173 32.500 0.000 0.000 1.272 315 K HN 0.629 nan 8.250 nan 0.000 0.444 316 P HA -0.028 nan 4.420 nan 0.000 0.264 316 P C -0.674 176.636 177.300 0.017 0.000 1.183 316 P CA 0.504 63.615 63.100 0.018 0.000 0.763 316 P CB 0.412 32.125 31.700 0.022 0.000 0.807 317 M N 3.899 123.511 119.600 0.021 0.000 2.497 317 M HA 0.159 4.639 4.480 -0.000 0.000 0.336 317 M C -0.332 175.982 176.300 0.023 0.000 1.378 317 M CA -0.342 54.969 55.300 0.019 0.000 1.375 317 M CB -0.329 32.283 32.600 0.020 0.000 1.337 317 M HN 0.187 nan 8.290 nan 0.000 0.461 318 I N 2.694 123.275 120.570 0.018 0.000 2.363 318 I HA 0.027 4.197 4.170 -0.000 0.000 0.292 318 I C 1.540 177.666 176.117 0.015 0.000 1.075 318 I CA 0.383 61.694 61.300 0.018 0.000 1.333 318 I CB 0.907 38.915 38.000 0.013 0.000 1.415 318 I HN 0.596 nan 8.210 nan 0.000 0.502 319 T N 2.038 116.602 114.554 0.018 0.000 3.040 319 T HA 0.249 4.599 4.350 -0.000 0.000 0.250 319 T C 0.519 175.225 174.700 0.010 0.000 1.058 319 T CA -0.195 61.914 62.100 0.016 0.000 0.988 319 T CB 0.081 68.962 68.868 0.023 0.000 0.993 319 T HN 0.473 nan 8.240 nan 0.000 0.519 320 K N 1.260 121.664 120.400 0.006 0.000 2.569 320 K HA 0.433 4.752 4.320 -0.000 0.000 0.259 320 K C -1.652 174.942 176.600 -0.009 0.000 0.932 320 K CA -0.445 55.841 56.287 -0.002 0.000 0.833 320 K CB 1.990 34.488 32.500 -0.004 0.000 1.340 320 K HN 0.207 nan 8.250 nan 0.000 0.429 321 T N 1.762 116.307 114.554 -0.015 0.000 2.876 321 T HA 0.778 5.128 4.350 -0.000 0.000 0.289 321 T C -0.175 174.506 174.700 -0.031 0.000 1.014 321 T CA -0.907 61.179 62.100 -0.022 0.000 0.986 321 T CB 1.205 70.063 68.868 -0.017 0.000 1.021 321 T HN 0.675 nan 8.240 nan 0.000 0.458 322 M N -0.328 119.245 119.600 -0.045 0.000 2.813 322 M HA 0.720 5.199 4.480 -0.000 0.000 0.270 322 M C -1.391 174.868 176.300 -0.067 0.000 1.267 322 M CA -1.261 54.007 55.300 -0.053 0.000 0.822 322 M CB 1.627 34.192 32.600 -0.059 0.000 1.671 322 M HN 0.437 nan 8.290 nan 0.000 0.468 323 K N 0.723 121.083 120.400 -0.066 0.000 2.258 323 K HA 0.283 4.603 4.320 -0.000 0.000 0.264 323 K C 0.659 177.197 176.600 -0.103 0.000 1.007 323 K CA -0.331 55.913 56.287 -0.071 0.000 0.941 323 K CB 0.826 33.292 32.500 -0.056 0.000 0.966 323 K HN 0.679 nan 8.250 nan 0.000 0.480 324 L N 2.384 123.545 121.223 -0.104 0.000 2.081 324 L HA -0.188 4.152 4.340 -0.000 0.000 0.212 324 L C 0.985 177.774 176.870 -0.135 0.000 1.080 324 L CA 1.918 56.674 54.840 -0.140 0.000 0.754 324 L CB -0.413 41.590 42.059 -0.093 0.000 0.893 324 L HN 0.726 nan 8.230 nan 0.000 0.433 325 E N 0.102 120.248 120.200 -0.089 0.000 2.401 325 E HA -0.164 4.186 4.350 -0.000 0.000 0.199 325 E C 1.464 178.014 176.600 -0.082 0.000 1.023 325 E CA 1.046 57.403 56.400 -0.072 0.000 0.859 325 E CB -0.187 29.483 29.700 -0.049 0.000 0.780 325 E HN 0.653 nan 8.360 nan 0.000 0.523 326 E N -0.452 119.686 120.200 -0.104 0.000 2.451 326 E HA 0.251 4.601 4.350 -0.000 0.000 0.194 326 E C 1.444 177.961 176.600 -0.138 0.000 1.027 326 E CA 0.191 56.530 56.400 -0.101 0.000 0.914 326 E CB 0.445 30.094 29.700 -0.085 0.000 1.054 326 E HN 0.231 nan 8.360 nan 0.000 0.461 327 A N 1.877 124.581 122.820 -0.193 0.000 1.903 327 A HA -0.289 4.031 4.320 -0.000 0.000 0.219 327 A C 1.939 179.426 177.584 -0.161 0.000 1.191 327 A CA 1.620 53.492 52.037 -0.274 0.000 0.638 327 A CB -0.368 18.412 19.000 -0.367 0.000 0.823 327 A HN 0.221 nan 8.150 nan 0.000 0.451 328 N N -0.641 117.996 118.700 -0.105 0.000 2.166 328 N HA -0.170 4.570 4.740 -0.000 0.000 0.186 328 N C 1.814 177.275 175.510 -0.081 0.000 1.019 328 N CA 1.494 54.499 53.050 -0.075 0.000 0.856 328 N CB -0.338 38.116 38.487 -0.054 0.000 0.993 328 N HN 0.783 nan 8.380 nan 0.000 0.426 329 E N 0.818 120.970 120.200 -0.081 0.000 2.106 329 E HA -0.089 4.261 4.350 -0.000 0.000 0.192 329 E C 1.770 178.321 176.600 -0.082 0.000 0.984 329 E CA 0.858 57.214 56.400 -0.074 0.000 0.806 329 E CB 0.043 29.705 29.700 -0.063 0.000 0.750 329 E HN 0.289 nan 8.360 nan 0.000 0.458 330 A N 1.000 123.763 122.820 -0.094 0.000 1.930 330 A HA -0.117 4.203 4.320 -0.000 0.000 0.217 330 A C 2.109 179.634 177.584 -0.098 0.000 1.175 330 A CA 0.992 52.975 52.037 -0.091 0.000 0.627 330 A CB -0.438 18.497 19.000 -0.108 0.000 0.815 330 A HN 0.310 nan 8.150 nan 0.000 0.443 331 I N -0.285 120.221 120.570 -0.107 0.000 2.353 331 I HA -0.169 4.001 4.170 -0.000 0.000 0.248 331 I C 1.543 177.550 176.117 -0.183 0.000 1.119 331 I CA 1.105 62.325 61.300 -0.134 0.000 1.417 331 I CB -0.436 37.507 38.000 -0.095 0.000 1.078 331 I HN 0.205 nan 8.210 nan 0.000 0.421 332 D N 1.059 121.375 120.400 -0.141 0.000 2.178 332 D HA -0.153 4.487 4.640 -0.000 0.000 0.201 332 D C 1.832 178.040 176.300 -0.153 0.000 0.980 332 D CA 0.990 54.904 54.000 -0.143 0.000 0.842 332 D CB -0.419 40.323 40.800 -0.096 0.000 0.948 332 D HN 0.284 nan 8.370 nan 0.000 0.472 333 N N 0.226 118.852 118.700 -0.124 0.000 2.244 333 N HA -0.062 4.677 4.740 -0.000 0.000 0.183 333 N C 1.974 177.403 175.510 -0.135 0.000 1.016 333 N CA 0.412 53.405 53.050 -0.094 0.000 0.866 333 N CB -0.141 38.313 38.487 -0.055 0.000 0.980 333 N HN 0.291 nan 8.380 nan 0.000 0.430 334 L N 0.636 121.725 121.223 -0.223 0.000 2.127 334 L HA 0.004 4.344 4.340 -0.000 0.000 0.203 334 L C 2.343 178.809 176.870 -0.673 0.000 1.080 334 L CA 0.710 55.346 54.840 -0.341 0.000 0.768 334 L CB -0.324 41.495 42.059 -0.400 0.000 0.924 334 L HN 0.144 nan 8.230 nan 0.000 0.444 335 E N 0.528 120.356 120.200 -0.620 0.000 2.153 335 E HA -0.198 4.152 4.350 -0.000 0.000 0.194 335 E C 1.334 177.586 176.600 -0.579 0.000 0.988 335 E CA 1.036 57.060 56.400 -0.626 0.000 0.811 335 E CB 0.221 29.689 29.700 -0.387 0.000 0.746 335 E HN 0.423 nan 8.360 nan 0.000 0.466 336 N N -0.170 118.312 118.700 -0.362 0.000 2.280 336 N HA 0.010 4.750 4.740 -0.000 0.000 0.192 336 N C -0.516 175.005 175.510 0.019 0.000 1.109 336 N CA 0.196 53.160 53.050 -0.144 0.000 0.855 336 N CB 0.233 38.686 38.487 -0.057 0.000 0.974 336 N HN 0.135 nan 8.380 nan 0.000 0.482 337 F N 0.296 120.268 119.950 0.036 0.000 3.067 337 F HA -0.267 4.260 4.527 -0.000 0.000 0.279 337 F C 0.557 176.388 175.800 0.053 0.000 0.945 337 F CA 0.469 58.515 58.000 0.077 0.000 0.948 337 F CB -1.754 37.303 39.000 0.095 0.000 0.898 337 F HN -0.033 nan 8.300 nan 0.000 0.746 338 K N 0.101 120.577 120.400 0.127 0.000 2.681 338 K HA 0.669 4.989 4.320 -0.000 0.000 0.211 338 K C 0.372 177.014 176.600 0.070 0.000 1.075 338 K CA 0.496 56.837 56.287 0.090 0.000 1.141 338 K CB 0.714 33.240 32.500 0.044 0.000 0.896 338 K HN 0.311 nan 8.250 nan 0.000 0.470 339 A N 1.277 124.156 122.820 0.099 0.000 2.556 339 A HA 0.786 5.106 4.320 -0.000 0.000 0.294 339 A C -0.925 176.724 177.584 0.108 0.000 1.091 339 A CA -0.909 51.176 52.037 0.080 0.000 0.704 339 A CB 1.194 20.227 19.000 0.056 0.000 1.300 339 A HN 0.322 nan 8.150 nan 0.000 0.406 340 I N -1.630 118.989 120.570 0.082 0.000 3.042 340 I HA 0.885 5.055 4.170 -0.000 0.000 0.310 340 I C 0.695 176.853 176.117 0.068 0.000 1.117 340 I CA -0.346 61.003 61.300 0.082 0.000 1.003 340 I CB 1.726 39.764 38.000 0.064 0.000 1.228 340 I HN 1.771 nan 8.210 nan 0.000 0.443 341 G N 2.704 111.543 108.800 0.065 0.000 2.596 341 G HA2 -0.255 3.705 3.960 -0.000 0.000 0.295 341 G HA3 -0.255 3.705 3.960 -0.000 0.000 0.295 341 G C -0.333 174.605 174.900 0.063 0.000 1.240 341 G CA 0.528 45.660 45.100 0.055 0.000 0.985 341 G HN 0.969 nan 8.290 nan 0.000 0.555 342 R N 0.457 120.987 120.500 0.050 0.000 2.686 342 R HA 0.633 4.973 4.340 -0.000 0.000 0.286 342 R C -0.394 175.927 176.300 0.035 0.000 0.969 342 R CA -0.400 55.730 56.100 0.051 0.000 0.898 342 R CB 1.334 31.664 30.300 0.050 0.000 1.183 342 R HN 0.728 nan 8.270 nan 0.000 0.456 343 Q N 1.683 121.502 119.800 0.031 0.000 2.274 343 Q HA 0.642 4.982 4.340 -0.000 0.000 0.260 343 Q C -0.916 175.088 176.000 0.007 0.000 0.974 343 Q CA -1.183 54.626 55.803 0.011 0.000 0.876 343 Q CB 2.680 31.416 28.738 -0.003 0.000 1.297 343 Q HN 0.243 nan 8.270 nan 0.000 0.446 344 V N 2.796 122.707 119.914 -0.005 0.000 2.656 344 V HA 0.415 4.534 4.120 -0.000 0.000 0.307 344 V C -0.516 175.558 176.094 -0.033 0.000 1.051 344 V CA -0.836 61.461 62.300 -0.006 0.000 0.893 344 V CB 1.829 33.655 31.823 0.005 0.000 0.999 344 V HN 0.636 nan 8.190 nan 0.000 0.426 345 L N 5.391 126.586 121.223 -0.047 0.000 2.312 345 L HA 0.575 4.915 4.340 -0.000 0.000 0.281 345 L C -0.038 176.802 176.870 -0.050 0.000 1.070 345 L CA -0.409 54.380 54.840 -0.085 0.000 0.805 345 L CB 1.249 43.204 42.059 -0.173 0.000 1.174 345 L HN 0.683 nan 8.230 nan 0.000 0.434 346 I N 0.595 121.133 120.570 -0.053 0.000 2.692 346 I HA 0.400 4.570 4.170 -0.000 0.000 0.285 346 I C -2.313 173.775 176.117 -0.048 0.000 1.191 346 I CA -1.862 59.414 61.300 -0.040 0.000 1.128 346 I CB 0.114 38.096 38.000 -0.031 0.000 1.585 346 I HN 0.341 nan 8.210 nan 0.000 0.558 347 P HA 0.000 nan 4.420 nan 0.000 0.216 347 P CA 0.000 63.063 63.100 -0.062 0.000 0.800 347 P CB 0.000 31.661 31.700 -0.066 0.000 0.726