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 2o7f_1_H DATA FIRST_RESID 8 DATA SEQUENCE KPAVELDRHI DLDQAHAVAS GGARIVLAPP ARDRCRASEA RLGAVIREAR DATA SEQUENCE HVYGLTTGFG PLANRLISGE NVRTLQANLV HFLASGVGPV LDWTTARAMV DATA SEQUENCE LARLVSIAQG ASGASEGTIA RLIDLLNSEL APAVPSRGTV GXXXDLTPLA DATA SEQUENCE HMVLCLQGRG DFLDRDGTRL DGAEGLRRGR LQPLDLSHRD ALALVNGTSA DATA SEQUENCE MTGIALVNAH ACRHLGNWAV ALTALLAECL RGRTEAWAAA LSDLRPHPGQ DATA SEQUENCE KDAAARLRAR VDGSARVVRH VIAERRLDAG DIGTEPEAGQ DAYSLRCAPQ DATA SEQUENCE VLGAGFDTLA WHDRVLTIEL NAVTDNPVFP PDGSVPALHG GNFMGQHVAL DATA SEQUENCE TSDALATAVT VLAGLAERQI ARLTDERLNR GLPPFLHRGP AGLNSGFMGA DATA SEQUENCE QVTATALLAE MRATGPASIH SISTNAANQD VVSLGTIAAR LCREKIDRWA DATA SEQUENCE EILAILALCL AQAAELRCGS GLDGVSPAGK KLVQALREQF PPLETDRPLG DATA SEQUENCE QEIAALATHL LQQSPV 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 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.611 176.600 0.018 0.000 0.988 8 K CA 0.000 56.298 56.287 0.019 0.000 0.838 8 K CB 0.000 32.513 32.500 0.022 0.000 1.064 9 P HA 0.064 nan 4.420 nan 0.000 0.266 9 P C -1.492 175.817 177.300 0.015 0.000 1.186 9 P CA -0.103 63.008 63.100 0.019 0.000 0.767 9 P CB 0.673 32.388 31.700 0.025 0.000 0.820 10 A N 2.293 125.120 122.820 0.012 0.000 2.330 10 A HA 0.522 4.842 4.320 0.000 0.000 0.313 10 A C -0.813 176.775 177.584 0.005 0.000 1.124 10 A CA -0.595 51.447 52.037 0.007 0.000 0.774 10 A CB 1.147 20.150 19.000 0.005 0.000 1.198 10 A HN 0.342 nan 8.150 nan 0.000 0.465 11 V N 2.730 122.644 119.914 0.000 0.000 2.350 11 V HA 0.261 4.381 4.120 0.000 0.000 0.276 11 V C 0.348 176.439 176.094 -0.005 0.000 1.028 11 V CA -0.307 61.991 62.300 -0.002 0.000 0.860 11 V CB 1.160 32.977 31.823 -0.009 0.000 0.990 11 V HN 0.953 nan 8.190 nan 0.000 0.453 12 E N 4.699 124.899 120.200 -0.000 0.000 2.089 12 E HA 0.344 4.694 4.350 0.000 0.000 0.284 12 E C -0.881 175.718 176.600 -0.002 0.000 1.023 12 E CA -0.778 55.622 56.400 -0.001 0.000 0.819 12 E CB 1.164 30.866 29.700 0.003 0.000 1.076 12 E HN 0.565 nan 8.360 nan 0.000 0.396 13 L N 5.290 126.508 121.223 -0.008 0.000 2.281 13 L HA 0.286 4.626 4.340 0.000 0.000 0.285 13 L C -0.199 176.669 176.870 -0.004 0.000 1.074 13 L CA 0.524 55.357 54.840 -0.011 0.000 0.817 13 L CB 1.273 43.319 42.059 -0.023 0.000 1.168 13 L HN 0.716 nan 8.230 nan 0.000 0.434 14 D N 2.747 123.150 120.400 0.005 0.000 3.074 14 D HA 0.198 4.838 4.640 0.000 0.000 0.227 14 D C 1.343 177.652 176.300 0.015 0.000 1.553 14 D CA 0.720 54.726 54.000 0.011 0.000 1.347 14 D CB 0.707 41.518 40.800 0.018 0.000 1.021 14 D HN 0.582 nan 8.370 nan 0.000 0.260 15 R N -1.711 118.810 120.500 0.034 0.000 2.243 15 R HA 0.213 4.553 4.340 0.000 0.000 0.193 15 R C 0.161 176.507 176.300 0.076 0.000 0.933 15 R CA -0.128 56.000 56.100 0.046 0.000 1.105 15 R CB 0.599 30.930 30.300 0.051 0.000 1.169 15 R HN 0.218 nan 8.270 nan 0.000 0.599 16 H N -0.058 119.006 119.070 -0.011 0.000 2.569 16 H HA 0.569 5.125 4.556 0.000 0.000 0.357 16 H C -1.455 173.867 175.328 -0.010 0.000 1.153 16 H CA -0.677 55.363 56.048 -0.012 0.000 1.193 16 H CB 1.584 31.340 29.762 -0.011 0.000 1.602 16 H HN -0.007 nan 8.280 nan 0.000 0.523 17 I N 4.250 124.451 120.570 -0.614 0.000 2.571 17 I HA 0.227 4.397 4.170 0.000 0.000 0.289 17 I C -1.239 174.595 176.117 -0.472 0.000 1.115 17 I CA -0.815 60.278 61.300 -0.345 0.000 1.045 17 I CB 1.403 39.290 38.000 -0.187 0.000 1.238 17 I HN 0.855 nan 8.210 nan 0.000 0.424 18 D N 6.232 126.528 120.400 -0.174 0.000 2.411 18 D HA 0.199 4.839 4.640 0.000 0.000 0.251 18 D C 1.072 177.348 176.300 -0.040 0.000 1.201 18 D CA -0.535 53.431 54.000 -0.057 0.000 0.996 18 D CB 0.953 41.798 40.800 0.074 0.000 1.101 18 D HN 0.500 nan 8.370 nan 0.000 0.504 19 L N -0.365 120.859 121.223 0.002 0.000 2.042 19 L HA -0.169 4.172 4.340 0.000 0.000 0.210 19 L C 1.608 178.516 176.870 0.062 0.000 1.076 19 L CA 1.535 56.392 54.840 0.029 0.000 0.749 19 L CB -0.529 41.559 42.059 0.050 0.000 0.893 19 L HN 0.450 nan 8.230 nan 0.000 0.432 20 D N -0.203 120.236 120.400 0.064 0.000 2.117 20 D HA -0.189 4.452 4.640 0.000 0.000 0.197 20 D C 2.334 178.676 176.300 0.071 0.000 0.987 20 D CA 1.133 55.186 54.000 0.087 0.000 0.829 20 D CB -0.179 40.664 40.800 0.073 0.000 0.961 20 D HN 0.407 nan 8.370 nan 0.000 0.460 21 Q N 0.391 120.213 119.800 0.037 0.000 2.050 21 Q HA -0.103 4.237 4.340 0.000 0.000 0.202 21 Q C 2.274 178.274 176.000 -0.000 0.000 0.980 21 Q CA 1.461 57.273 55.803 0.016 0.000 0.840 21 Q CB -0.173 28.563 28.738 -0.003 0.000 0.898 21 Q HN 0.224 nan 8.270 nan 0.000 0.424 22 A N 0.973 123.787 122.820 -0.010 0.000 1.908 22 A HA -0.263 4.057 4.320 0.000 0.000 0.218 22 A C 1.973 179.538 177.584 -0.032 0.000 1.181 22 A CA 1.800 53.819 52.037 -0.030 0.000 0.627 22 A CB -0.892 18.090 19.000 -0.030 0.000 0.818 22 A HN 0.465 nan 8.150 nan 0.000 0.445 23 H N -0.178 118.842 119.070 -0.084 0.000 2.428 23 H HA 0.068 4.624 4.556 0.000 0.000 0.296 23 H C 2.264 177.511 175.328 -0.135 0.000 1.062 23 H CA 1.384 57.343 56.048 -0.147 0.000 1.350 23 H CB -0.165 29.424 29.762 -0.288 0.000 1.403 23 H HN 0.416 nan 8.280 nan 0.000 0.533 24 A N 0.484 123.311 122.820 0.011 0.000 1.877 24 A HA -0.112 4.209 4.320 0.000 0.000 0.216 24 A C 2.829 180.383 177.584 -0.051 0.000 1.186 24 A CA 1.696 53.739 52.037 0.011 0.000 0.620 24 A CB -0.879 18.144 19.000 0.039 0.000 0.822 24 A HN 0.278 nan 8.150 nan 0.000 0.443 25 V N -0.223 119.649 119.914 -0.070 0.000 2.307 25 V HA -0.201 3.919 4.120 0.000 0.000 0.245 25 V C 3.068 179.072 176.094 -0.149 0.000 1.045 25 V CA 1.878 64.128 62.300 -0.083 0.000 1.024 25 V CB -1.307 30.470 31.823 -0.076 0.000 0.651 25 V HN 0.607 nan 8.190 nan 0.000 0.449 26 A N 0.882 123.571 122.820 -0.217 0.000 1.940 26 A HA -0.205 4.115 4.320 0.000 0.000 0.219 26 A C 2.392 179.764 177.584 -0.354 0.000 1.176 26 A CA 2.284 54.136 52.037 -0.309 0.000 0.631 26 A CB -0.715 18.102 19.000 -0.304 0.000 0.814 26 A HN 0.701 nan 8.150 nan 0.000 0.446 27 S N -1.883 113.628 115.700 -0.316 0.000 2.603 27 S HA 0.364 4.834 4.470 0.000 0.000 0.220 27 S C 1.387 176.122 174.600 0.225 0.000 0.967 27 S CA 1.017 59.182 58.200 -0.059 0.000 0.920 27 S CB -0.385 62.691 63.200 -0.207 0.000 0.773 27 S HN 1.955 nan 8.310 nan 0.000 0.529 28 G N 0.376 109.235 108.800 0.100 0.000 2.148 28 G HA2 -0.209 3.751 3.960 0.000 0.000 0.254 28 G HA3 -0.209 3.751 3.960 0.000 0.000 0.254 28 G C 0.805 175.776 174.900 0.119 0.000 0.981 28 G CA 0.114 45.330 45.100 0.193 0.000 0.670 28 G HN 0.959 nan 8.290 nan 0.000 0.528 29 G N -0.584 108.260 108.800 0.073 0.000 2.623 29 G HA2 0.586 4.546 3.960 0.000 0.000 0.214 29 G HA3 0.586 4.546 3.960 0.000 0.000 0.214 29 G C 0.631 175.558 174.900 0.045 0.000 1.138 29 G CA 1.701 46.839 45.100 0.064 0.000 0.794 29 G HN 1.822 nan 8.290 nan 0.000 0.535 30 A N -0.402 122.435 122.820 0.029 0.000 2.539 30 A HA 0.785 5.105 4.320 0.000 0.000 0.296 30 A C -0.339 177.250 177.584 0.007 0.000 1.073 30 A CA -0.857 51.191 52.037 0.018 0.000 0.700 30 A CB 1.485 20.494 19.000 0.014 0.000 1.296 30 A HN 0.194 nan 8.150 nan 0.000 0.405 31 R N -0.106 120.398 120.500 0.007 0.000 2.543 31 R HA 0.606 4.946 4.340 0.000 0.000 0.268 31 R C -0.913 175.382 176.300 -0.009 0.000 1.067 31 R CA -0.491 55.609 56.100 -0.000 0.000 1.142 31 R CB 1.211 31.513 30.300 0.004 0.000 1.110 31 R HN 0.617 nan 8.270 nan 0.000 0.549 32 I N 0.814 121.374 120.570 -0.016 0.000 2.530 32 I HA 0.333 4.503 4.170 0.000 0.000 0.297 32 I C -1.253 174.855 176.117 -0.016 0.000 1.011 32 I CA -0.616 60.672 61.300 -0.020 0.000 1.107 32 I CB 1.949 39.930 38.000 -0.032 0.000 1.285 32 I HN 0.203 nan 8.210 nan 0.000 0.436 33 V N 7.494 127.400 119.914 -0.013 0.000 2.760 33 V HA 0.392 4.512 4.120 0.000 0.000 0.309 33 V C -0.796 175.291 176.094 -0.011 0.000 1.077 33 V CA -0.768 61.525 62.300 -0.011 0.000 0.910 33 V CB 1.777 33.596 31.823 -0.006 0.000 1.008 33 V HN 0.582 nan 8.190 nan 0.000 0.424 34 L N 4.317 125.532 121.223 -0.012 0.000 2.281 34 L HA 0.730 5.070 4.340 0.000 0.000 0.285 34 L C 0.764 177.630 176.870 -0.007 0.000 1.074 34 L CA 0.413 55.246 54.840 -0.011 0.000 0.817 34 L CB 0.879 42.929 42.059 -0.014 0.000 1.168 34 L HN 0.876 nan 8.230 nan 0.000 0.434 35 A N 6.913 129.730 122.820 -0.005 0.000 2.466 35 A HA 0.355 4.676 4.320 0.000 0.000 0.238 35 A C -1.601 175.982 177.584 -0.003 0.000 1.074 35 A CA -0.718 51.318 52.037 -0.002 0.000 0.774 35 A CB -0.397 18.604 19.000 0.002 0.000 1.015 35 A HN 0.785 nan 8.150 nan 0.000 0.498 36 P HA -0.158 nan 4.420 nan 0.000 0.215 36 P C -1.302 175.996 177.300 -0.002 0.000 1.157 36 P CA 2.034 65.133 63.100 -0.002 0.000 0.874 36 P CB -0.720 30.980 31.700 -0.001 0.000 0.790 37 P HA -0.134 nan 4.420 nan 0.000 0.218 37 P C 1.265 178.565 177.300 0.001 0.000 1.149 37 P CA 1.809 64.909 63.100 0.001 0.000 0.817 37 P CB -0.417 31.285 31.700 0.003 0.000 0.785 38 A N 0.658 123.478 122.820 -0.000 0.000 1.898 38 A HA -0.150 4.170 4.320 0.000 0.000 0.216 38 A C 2.557 180.138 177.584 -0.005 0.000 1.181 38 A CA 1.370 53.406 52.037 -0.001 0.000 0.620 38 A CB -1.266 17.733 19.000 -0.003 0.000 0.819 38 A HN 0.046 nan 8.150 nan 0.000 0.442 39 R N -0.208 120.288 120.500 -0.007 0.000 2.091 39 R HA -0.172 4.168 4.340 0.000 0.000 0.238 39 R C 1.346 177.639 176.300 -0.011 0.000 1.136 39 R CA 1.920 58.013 56.100 -0.012 0.000 0.959 39 R CB -0.339 29.954 30.300 -0.012 0.000 0.856 39 R HN 0.480 nan 8.270 nan 0.000 0.437 40 D N 0.048 120.443 120.400 -0.008 0.000 2.117 40 D HA -0.136 4.504 4.640 0.000 0.000 0.198 40 D C 2.020 178.317 176.300 -0.005 0.000 0.982 40 D CA 1.058 55.054 54.000 -0.007 0.000 0.828 40 D CB -0.169 40.629 40.800 -0.004 0.000 0.967 40 D HN 0.300 nan 8.370 nan 0.000 0.464 41 R N 0.161 120.660 120.500 -0.002 0.000 2.096 41 R HA -0.073 4.267 4.340 0.000 0.000 0.235 41 R C 2.511 178.812 176.300 0.001 0.000 1.127 41 R CA 0.871 56.972 56.100 0.002 0.000 0.968 41 R CB -0.463 29.840 30.300 0.006 0.000 0.861 41 R HN 0.229 nan 8.270 nan 0.000 0.440 42 C N -0.015 119.282 119.300 -0.005 0.000 2.446 42 C HA -0.005 4.455 4.460 0.000 0.000 0.277 42 C C 2.584 177.561 174.990 -0.023 0.000 1.275 42 C CA 0.427 59.439 59.018 -0.011 0.000 1.727 42 C CB -0.737 26.993 27.740 -0.016 0.000 2.010 42 C HN 0.461 nan 8.230 nan 0.000 0.486 43 R N 1.154 121.639 120.500 -0.025 0.000 2.096 43 R HA -0.111 4.229 4.340 0.000 0.000 0.235 43 R C 2.341 178.624 176.300 -0.028 0.000 1.127 43 R CA 1.609 57.690 56.100 -0.032 0.000 0.968 43 R CB -0.470 29.815 30.300 -0.025 0.000 0.861 43 R HN 0.552 nan 8.270 nan 0.000 0.440 44 A N 0.201 123.010 122.820 -0.018 0.000 1.930 44 A HA -0.150 4.170 4.320 0.000 0.000 0.217 44 A C 2.180 179.752 177.584 -0.020 0.000 1.175 44 A CA 1.682 53.711 52.037 -0.014 0.000 0.627 44 A CB -0.438 18.561 19.000 -0.003 0.000 0.815 44 A HN 0.284 nan 8.150 nan 0.000 0.443 45 S N -0.805 114.885 115.700 -0.015 0.000 2.387 45 S HA -0.170 4.300 4.470 0.000 0.000 0.226 45 S C 2.009 176.560 174.600 -0.082 0.000 1.026 45 S CA 1.448 59.638 58.200 -0.017 0.000 0.972 45 S CB -0.314 62.901 63.200 0.025 0.000 0.814 45 S HN 0.676 nan 8.310 nan 0.000 0.477 46 E N 0.384 120.540 120.200 -0.073 0.000 2.118 46 E HA -0.135 4.215 4.350 0.000 0.000 0.195 46 E C 2.047 178.589 176.600 -0.097 0.000 0.992 46 E CA 1.064 57.406 56.400 -0.097 0.000 0.804 46 E CB -0.335 29.311 29.700 -0.091 0.000 0.741 46 E HN 0.602 nan 8.360 nan 0.000 0.458 47 A N 1.322 124.100 122.820 -0.070 0.000 1.898 47 A HA -0.151 4.169 4.320 0.000 0.000 0.216 47 A C 2.146 179.682 177.584 -0.081 0.000 1.181 47 A CA 1.261 53.265 52.037 -0.056 0.000 0.620 47 A CB -0.397 18.583 19.000 -0.033 0.000 0.819 47 A HN 0.173 nan 8.150 nan 0.000 0.442 48 R N -1.118 119.321 120.500 -0.101 0.000 2.096 48 R HA -0.102 4.238 4.340 0.000 0.000 0.235 48 R C 2.074 178.220 176.300 -0.255 0.000 1.127 48 R CA 1.363 57.389 56.100 -0.122 0.000 0.968 48 R CB -0.579 29.677 30.300 -0.074 0.000 0.861 48 R HN 0.501 nan 8.270 nan 0.000 0.440 49 L N 0.575 121.559 121.223 -0.399 0.000 2.056 49 L HA -0.002 4.338 4.340 0.000 0.000 0.207 49 L C 2.135 178.859 176.870 -0.244 0.000 1.078 49 L CA 2.061 56.572 54.840 -0.547 0.000 0.749 49 L CB -1.005 40.745 42.059 -0.515 0.000 0.901 49 L HN 0.143 nan 8.230 nan 0.000 0.433 50 G N -0.970 107.745 108.800 -0.141 0.000 2.440 50 G HA2 -0.261 3.699 3.960 0.000 0.000 0.218 50 G HA3 -0.261 3.699 3.960 0.000 0.000 0.218 50 G C 1.592 176.460 174.900 -0.053 0.000 1.154 50 G CA 0.873 45.935 45.100 -0.065 0.000 0.767 50 G HN 0.650 nan 8.290 nan 0.000 0.552 51 A N 0.141 122.925 122.820 -0.059 0.000 1.898 51 A HA 0.088 4.408 4.320 0.000 0.000 0.216 51 A C 2.611 180.185 177.584 -0.018 0.000 1.181 51 A CA 1.771 53.790 52.037 -0.030 0.000 0.620 51 A CB -0.698 18.288 19.000 -0.023 0.000 0.819 51 A HN 0.254 nan 8.150 nan 0.000 0.442 52 V N 0.446 120.339 119.914 -0.035 0.000 2.282 52 V HA -0.317 3.803 4.120 0.000 0.000 0.249 52 V C 2.432 178.543 176.094 0.028 0.000 1.057 52 V CA 2.278 64.588 62.300 0.016 0.000 1.032 52 V CB -0.706 31.128 31.823 0.020 0.000 0.645 52 V HN 0.588 nan 8.190 nan 0.000 0.447 53 I N -0.662 119.907 120.570 -0.001 0.000 2.315 53 I HA -0.220 3.950 4.170 0.000 0.000 0.248 53 I C 2.704 178.826 176.117 0.009 0.000 1.117 53 I CA 1.479 62.785 61.300 0.011 0.000 1.404 53 I CB -0.396 37.601 38.000 -0.003 0.000 1.071 53 I HN 0.198 nan 8.210 nan 0.000 0.419 54 R N 1.457 121.957 120.500 -0.000 0.000 2.081 54 R HA -0.170 4.170 4.340 0.000 0.000 0.235 54 R C 1.882 178.188 176.300 0.009 0.000 1.131 54 R CA 1.550 57.651 56.100 0.001 0.000 0.960 54 R CB -0.113 30.185 30.300 -0.004 0.000 0.856 54 R HN 0.340 nan 8.270 nan 0.000 0.436 55 E N -0.559 119.651 120.200 0.016 0.000 2.511 55 E HA 0.105 4.455 4.350 0.000 0.000 0.196 55 E C 0.100 176.719 176.600 0.032 0.000 1.066 55 E CA 0.426 56.841 56.400 0.024 0.000 0.871 55 E CB 0.362 30.081 29.700 0.032 0.000 0.863 55 E HN 0.453 nan 8.360 nan 0.000 0.520 56 A N 1.883 124.723 122.820 0.033 0.000 2.791 56 A HA -0.227 4.093 4.320 0.000 0.000 0.292 56 A C -0.040 177.580 177.584 0.061 0.000 1.487 56 A CA 0.526 52.584 52.037 0.036 0.000 0.760 56 A CB -1.280 17.731 19.000 0.018 0.000 1.031 56 A HN 0.124 nan 8.150 nan 0.000 0.503 57 R N 0.138 120.692 120.500 0.090 0.000 2.543 57 R HA 0.147 4.487 4.340 0.000 0.000 0.277 57 R C 0.503 176.918 176.300 0.192 0.000 1.074 57 R CA -0.209 55.971 56.100 0.133 0.000 1.076 57 R CB 0.156 30.546 30.300 0.149 0.000 0.993 57 R HN 0.707 nan 8.270 nan 0.000 0.459 58 H N 1.966 121.078 119.070 0.070 0.000 3.232 58 H HA 0.203 4.759 4.556 0.000 0.000 0.254 58 H C -0.855 174.542 175.328 0.114 0.000 1.213 58 H CA -0.368 55.713 56.048 0.055 0.000 1.503 58 H CB 0.153 29.922 29.762 0.011 0.000 1.563 58 H HN 0.050 nan 8.280 nan 0.000 0.490 59 V N 6.053 126.162 119.914 0.325 0.000 2.709 59 V HA 0.008 4.128 4.120 0.000 0.000 0.308 59 V C -0.687 175.632 176.094 0.375 0.000 1.062 59 V CA -1.023 61.504 62.300 0.378 0.000 0.901 59 V CB 1.405 33.448 31.823 0.367 0.000 1.003 59 V HN 0.622 nan 8.190 nan 0.000 0.425 60 Y N 3.525 124.086 120.300 0.436 0.000 2.721 60 Y HA 0.373 4.924 4.550 0.000 0.000 0.329 60 Y C 1.360 177.356 175.900 0.160 0.000 1.211 60 Y CA 1.699 59.942 58.100 0.239 0.000 1.512 60 Y CB 0.492 39.149 38.460 0.328 0.000 1.249 60 Y HN 1.046 nan 8.280 nan 0.000 0.549 61 G N 4.136 112.635 108.800 -0.502 0.000 2.234 61 G HA2 -0.309 3.651 3.960 0.000 0.000 0.260 61 G HA3 -0.309 3.651 3.960 0.000 0.000 0.260 61 G C 0.660 175.513 174.900 -0.079 0.000 0.987 61 G CA 0.607 45.499 45.100 -0.346 0.000 0.625 61 G HN 0.673 nan 8.290 nan 0.000 0.532 62 L N -0.025 121.198 121.223 0.001 0.000 2.537 62 L HA 0.303 4.643 4.340 0.000 0.000 0.224 62 L C 2.100 178.979 176.870 0.015 0.000 1.065 62 L CA 1.584 56.456 54.840 0.053 0.000 0.860 62 L CB 0.544 42.683 42.059 0.134 0.000 1.086 62 L HN 0.487 nan 8.230 nan 0.000 0.482 63 T N -4.158 110.400 114.554 0.005 0.000 3.488 63 T HA 0.177 4.527 4.350 0.000 0.000 0.312 63 T C 0.180 174.854 174.700 -0.044 0.000 0.931 63 T CA 0.113 62.209 62.100 -0.007 0.000 0.982 63 T CB -0.032 68.860 68.868 0.040 0.000 1.198 63 T HN 0.154 nan 8.240 nan 0.000 0.545 64 T N -1.926 112.548 114.554 -0.133 0.000 2.841 64 T HA 0.793 5.143 4.350 0.000 0.000 0.296 64 T C 0.619 175.056 174.700 -0.438 0.000 1.166 64 T CA -0.258 61.738 62.100 -0.173 0.000 1.007 64 T CB 1.412 70.265 68.868 -0.026 0.000 1.253 64 T HN 0.324 nan 8.240 nan 0.000 0.511 65 G N -0.189 108.408 108.800 -0.338 0.000 2.516 65 G HA2 0.559 4.519 3.960 0.000 0.000 0.276 65 G HA3 0.559 4.519 3.960 0.000 0.000 0.276 65 G C -1.096 173.410 174.900 -0.658 0.000 1.390 65 G CA -0.746 44.092 45.100 -0.436 0.000 1.050 65 G HN 0.555 nan 8.290 nan 0.000 0.519 66 F N -1.120 118.812 119.950 -0.030 0.000 2.556 66 F HA 0.611 5.138 4.527 0.000 0.000 0.327 66 F C 1.121 177.036 175.800 0.191 0.000 1.059 66 F CA 0.375 58.417 58.000 0.070 0.000 0.953 66 F CB 1.513 40.619 39.000 0.177 0.000 1.227 66 F HN 1.033 nan 8.300 nan 0.000 0.478 67 G N 1.914 111.048 108.800 0.557 0.000 2.596 67 G HA2 -0.287 3.674 3.960 0.000 0.000 0.295 67 G HA3 -0.287 3.674 3.960 0.000 0.000 0.295 67 G C -1.934 173.090 174.900 0.208 0.000 1.240 67 G CA -0.094 45.188 45.100 0.303 0.000 0.985 67 G HN 0.514 nan 8.290 nan 0.000 0.555 68 P HA 0.153 nan 4.420 nan 0.000 0.230 68 P C 1.689 179.029 177.300 0.066 0.000 1.158 68 P CA 0.681 63.829 63.100 0.079 0.000 0.769 68 P CB -0.064 31.666 31.700 0.049 0.000 0.807 69 L N -1.675 119.589 121.223 0.069 0.000 2.612 69 L HA 0.160 4.500 4.340 0.000 0.000 0.230 69 L C 2.012 178.896 176.870 0.023 0.000 1.140 69 L CA 0.101 54.957 54.840 0.027 0.000 0.896 69 L CB -0.656 41.400 42.059 -0.005 0.000 1.065 69 L HN -0.029 nan 8.230 nan 0.000 0.447 70 A N 1.430 124.303 122.820 0.088 0.000 2.067 70 A HA -0.182 4.138 4.320 0.000 0.000 0.219 70 A C 2.034 179.665 177.584 0.078 0.000 1.158 70 A CA 1.463 53.564 52.037 0.105 0.000 0.661 70 A CB -0.494 18.669 19.000 0.272 0.000 0.801 70 A HN 0.652 nan 8.150 nan 0.000 0.452 71 N N -0.333 118.402 118.700 0.058 0.000 2.520 71 N HA -0.086 4.654 4.740 0.000 0.000 0.185 71 N C 0.139 175.654 175.510 0.009 0.000 1.068 71 N CA 0.426 53.502 53.050 0.042 0.000 0.911 71 N CB -0.271 38.235 38.487 0.031 0.000 0.961 71 N HN 0.220 nan 8.380 nan 0.000 0.446 72 R N 1.081 121.576 120.500 -0.010 0.000 2.205 72 R HA 0.366 4.706 4.340 0.000 0.000 0.342 72 R C -0.149 176.118 176.300 -0.056 0.000 1.058 72 R CA -0.259 55.820 56.100 -0.035 0.000 0.904 72 R CB 0.558 30.834 30.300 -0.041 0.000 1.089 72 R HN 0.166 nan 8.270 nan 0.000 0.471 73 L N 3.938 125.122 121.223 -0.065 0.000 2.439 73 L HA 0.312 4.652 4.340 0.000 0.000 0.269 73 L C 0.199 177.022 176.870 -0.078 0.000 1.179 73 L CA -0.231 54.556 54.840 -0.088 0.000 0.828 73 L CB 0.488 42.469 42.059 -0.130 0.000 1.106 73 L HN 0.352 nan 8.230 nan 0.000 0.467 74 I N 1.137 121.659 120.570 -0.080 0.000 2.530 74 I HA 0.239 4.409 4.170 0.000 0.000 0.297 74 I C 0.345 176.432 176.117 -0.049 0.000 1.011 74 I CA -0.382 60.879 61.300 -0.066 0.000 1.107 74 I CB 1.903 39.853 38.000 -0.083 0.000 1.285 74 I HN 0.632 nan 8.210 nan 0.000 0.436 75 S N 2.865 118.543 115.700 -0.037 0.000 2.592 75 S HA 0.325 4.795 4.470 0.000 0.000 0.271 75 S C 1.252 175.840 174.600 -0.020 0.000 1.326 75 S CA -0.029 58.154 58.200 -0.028 0.000 1.024 75 S CB 1.438 64.624 63.200 -0.023 0.000 0.921 75 S HN 0.870 nan 8.310 nan 0.000 0.527 76 G N 0.551 109.342 108.800 -0.015 0.000 2.448 76 G HA2 -0.126 3.834 3.960 0.000 0.000 0.219 76 G HA3 -0.126 3.834 3.960 0.000 0.000 0.219 76 G C 0.963 175.857 174.900 -0.010 0.000 1.127 76 G CA 0.367 45.461 45.100 -0.010 0.000 0.766 76 G HN 0.873 nan 8.290 nan 0.000 0.552 77 E N 0.439 120.632 120.200 -0.011 0.000 2.515 77 E HA -0.007 4.343 4.350 0.000 0.000 0.201 77 E C 0.828 177.424 176.600 -0.007 0.000 1.071 77 E CA 0.205 56.599 56.400 -0.010 0.000 0.880 77 E CB 0.104 29.799 29.700 -0.009 0.000 0.828 77 E HN 0.375 nan 8.360 nan 0.000 0.540 78 N N -0.350 118.346 118.700 -0.007 0.000 2.194 78 N HA 0.037 4.777 4.740 0.000 0.000 0.231 78 N C 1.095 176.606 175.510 0.003 0.000 1.247 78 N CA 0.124 53.173 53.050 -0.002 0.000 0.884 78 N CB 1.242 39.726 38.487 -0.004 0.000 1.146 78 N HN -0.043 nan 8.380 nan 0.000 0.516 79 V N 1.123 121.037 119.914 0.001 0.000 2.427 79 V HA -0.161 3.959 4.120 0.000 0.000 0.248 79 V C 2.440 178.547 176.094 0.022 0.000 1.051 79 V CA 1.372 63.678 62.300 0.010 0.000 1.048 79 V CB -0.188 31.640 31.823 0.009 0.000 0.666 79 V HN 0.222 nan 8.190 nan 0.000 0.456 80 R N 0.317 120.824 120.500 0.011 0.000 2.083 80 R HA -0.131 4.209 4.340 0.000 0.000 0.237 80 R C 2.388 178.695 176.300 0.010 0.000 1.137 80 R CA 2.039 58.143 56.100 0.006 0.000 0.951 80 R CB -1.425 28.873 30.300 -0.004 0.000 0.851 80 R HN 0.519 nan 8.270 nan 0.000 0.434 81 T N 2.479 117.043 114.554 0.018 0.000 2.746 81 T HA -0.145 4.205 4.350 0.000 0.000 0.267 81 T C 1.898 176.631 174.700 0.055 0.000 1.039 81 T CA 1.209 63.327 62.100 0.029 0.000 1.142 81 T CB -0.340 68.548 68.868 0.033 0.000 0.866 81 T HN 0.088 nan 8.240 nan 0.000 0.444 82 L N 1.358 122.624 121.223 0.071 0.000 1.971 82 L HA -0.173 4.168 4.340 0.000 0.000 0.215 82 L C 2.468 179.469 176.870 0.219 0.000 1.072 82 L CA 1.881 56.806 54.840 0.142 0.000 0.758 82 L CB -0.740 41.366 42.059 0.079 0.000 0.889 82 L HN 0.254 nan 8.230 nan 0.000 0.433 83 Q N -0.833 119.055 119.800 0.147 0.000 2.224 83 Q HA -0.128 4.212 4.340 0.000 0.000 0.203 83 Q C 2.169 178.136 176.000 -0.056 0.000 0.970 83 Q CA 1.229 57.086 55.803 0.089 0.000 0.865 83 Q CB -0.315 28.461 28.738 0.064 0.000 0.922 83 Q HN 0.725 nan 8.270 nan 0.000 0.445 84 A N 1.624 124.397 122.820 -0.078 0.000 1.898 84 A HA -0.163 4.157 4.320 0.000 0.000 0.216 84 A C 1.751 179.103 177.584 -0.386 0.000 1.181 84 A CA 1.266 53.158 52.037 -0.242 0.000 0.620 84 A CB -0.269 18.630 19.000 -0.169 0.000 0.819 84 A HN 0.266 nan 8.150 nan 0.000 0.442 85 N N -0.180 118.467 118.700 -0.089 0.000 2.331 85 N HA -0.092 4.648 4.740 0.000 0.000 0.180 85 N C 1.561 177.141 175.510 0.118 0.000 1.019 85 N CA 1.181 54.289 53.050 0.096 0.000 0.881 85 N CB -0.475 38.151 38.487 0.232 0.000 0.972 85 N HN 0.445 nan 8.380 nan 0.000 0.435 86 L N 1.051 122.256 121.223 -0.030 0.000 1.989 86 L HA -0.103 4.237 4.340 0.000 0.000 0.211 86 L C 1.952 178.381 176.870 -0.736 0.000 1.071 86 L CA 1.428 55.975 54.840 -0.488 0.000 0.749 86 L CB -0.683 40.982 42.059 -0.657 0.000 0.890 86 L HN -0.122 nan 8.230 nan 0.000 0.431 87 V N -0.307 119.331 119.914 -0.460 0.000 2.392 87 V HA -0.350 3.770 4.120 0.000 0.000 0.249 87 V C 2.368 178.282 176.094 -0.299 0.000 1.059 87 V CA 2.229 64.290 62.300 -0.398 0.000 1.051 87 V CB -1.048 30.588 31.823 -0.311 0.000 0.658 87 V HN 0.628 nan 8.190 nan 0.000 0.455 88 H N -0.235 118.700 119.070 -0.226 0.000 2.270 88 H HA -0.180 4.376 4.556 0.000 0.000 0.299 88 H C 2.231 177.498 175.328 -0.102 0.000 1.077 88 H CA 1.928 57.899 56.048 -0.128 0.000 1.294 88 H CB -0.314 29.439 29.762 -0.016 0.000 1.371 88 H HN 0.596 nan 8.280 nan 0.000 0.491 89 F N 0.705 120.683 119.950 0.046 0.000 2.333 89 F HA -0.051 4.476 4.527 0.000 0.000 0.300 89 F C 1.628 177.398 175.800 -0.050 0.000 1.083 89 F CA 0.820 58.816 58.000 -0.006 0.000 1.395 89 F CB -0.695 38.306 39.000 0.001 0.000 1.056 89 F HN 0.021 nan 8.300 nan 0.000 0.529 90 L N 0.553 121.464 121.223 -0.519 0.000 2.375 90 L HA 0.237 4.577 4.340 0.000 0.000 0.215 90 L C 1.984 178.706 176.870 -0.247 0.000 1.108 90 L CA 0.431 55.022 54.840 -0.415 0.000 0.830 90 L CB -0.643 41.037 42.059 -0.632 0.000 0.959 90 L HN 0.251 nan 8.230 nan 0.000 0.457 91 A N 0.225 122.860 122.820 -0.308 0.000 3.004 91 A HA 0.110 4.430 4.320 0.000 0.000 0.252 91 A C 1.201 178.736 177.584 -0.082 0.000 1.802 91 A CA 0.353 52.078 52.037 -0.521 0.000 1.424 91 A CB -0.734 17.911 19.000 -0.591 0.000 1.005 91 A HN 0.374 nan 8.150 nan 0.000 0.631 92 S N -0.574 115.179 115.700 0.089 0.000 2.574 92 S HA 0.395 4.865 4.470 0.000 0.000 0.242 92 S C 0.827 175.531 174.600 0.173 0.000 0.982 92 S CA 0.034 58.314 58.200 0.133 0.000 0.977 92 S CB 0.087 63.338 63.200 0.085 0.000 0.814 92 S HN 0.741 nan 8.310 nan 0.000 0.464 93 G N 1.425 110.436 108.800 0.352 0.000 2.527 93 G HA2 0.521 4.481 3.960 0.000 0.000 0.248 93 G HA3 0.521 4.481 3.960 0.000 0.000 0.248 93 G C -0.141 174.728 174.900 -0.052 0.000 1.231 93 G CA 0.021 45.162 45.100 0.068 0.000 0.838 93 G HN 1.001 nan 8.290 nan 0.000 0.570 94 V N -0.980 118.898 119.914 -0.061 0.000 3.165 94 V HA 1.034 5.154 4.120 0.000 0.000 0.309 94 V C 0.568 176.625 176.094 -0.061 0.000 1.267 94 V CA -0.159 62.108 62.300 -0.056 0.000 1.067 94 V CB 1.080 32.892 31.823 -0.019 0.000 1.082 94 V HN 2.537 nan 8.190 nan 0.000 0.451 95 G N 0.366 109.138 108.800 -0.046 0.000 2.707 95 G HA2 0.069 4.029 3.960 0.000 0.000 0.686 95 G HA3 0.069 4.029 3.960 0.000 0.000 0.686 95 G C -2.788 172.086 174.900 -0.042 0.000 1.315 95 G CA -0.300 44.778 45.100 -0.036 0.000 0.832 95 G HN 1.113 nan 8.290 nan 0.000 0.573 96 P HA 0.405 nan 4.420 nan 0.000 0.268 96 P C 0.907 178.189 177.300 -0.030 0.000 1.205 96 P CA 0.423 63.511 63.100 -0.021 0.000 0.771 96 P CB 0.860 32.556 31.700 -0.005 0.000 0.858 97 V N 1.773 121.669 119.914 -0.031 0.000 3.139 97 V HA 0.096 4.216 4.120 0.000 0.000 0.307 97 V C 0.678 176.764 176.094 -0.012 0.000 1.095 97 V CA -0.542 61.736 62.300 -0.038 0.000 1.160 97 V CB -0.602 31.203 31.823 -0.030 0.000 1.003 97 V HN 0.298 nan 8.190 nan 0.000 0.489 98 L N 2.735 123.947 121.223 -0.019 0.000 2.456 98 L HA 0.265 4.605 4.340 0.000 0.000 0.272 98 L C 0.631 177.520 176.870 0.031 0.000 1.189 98 L CA -0.266 54.574 54.840 0.001 0.000 0.846 98 L CB 0.278 42.327 42.059 -0.016 0.000 1.111 98 L HN 1.032 nan 8.230 nan 0.000 0.475 99 D N 0.235 120.669 120.400 0.057 0.000 2.361 99 D HA -0.122 4.518 4.640 0.000 0.000 0.239 99 D C 0.741 177.129 176.300 0.147 0.000 1.200 99 D CA -0.409 53.658 54.000 0.111 0.000 0.915 99 D CB 0.530 41.402 40.800 0.120 0.000 1.170 99 D HN 0.542 nan 8.370 nan 0.000 0.444 100 W N 1.254 122.558 121.300 0.007 0.000 2.290 100 W HA -0.322 4.338 4.660 0.000 0.000 0.328 100 W C 2.249 178.763 176.519 -0.009 0.000 1.272 100 W CA 2.968 60.317 57.345 0.006 0.000 1.262 100 W CB -0.908 28.557 29.460 0.009 0.000 1.151 100 W HN 0.458 nan 8.180 nan 0.000 0.473 101 T N -0.311 114.369 114.554 0.210 0.000 2.746 101 T HA -0.218 4.132 4.350 0.000 0.000 0.267 101 T C 1.561 176.184 174.700 -0.128 0.000 1.039 101 T CA 2.320 64.399 62.100 -0.036 0.000 1.142 101 T CB -0.885 68.046 68.868 0.104 0.000 0.866 101 T HN 0.210 nan 8.240 nan 0.000 0.444 102 T N 1.922 116.457 114.554 -0.032 0.000 2.777 102 T HA 0.038 4.388 4.350 0.000 0.000 0.266 102 T C 2.444 177.095 174.700 -0.080 0.000 1.040 102 T CA 1.076 63.155 62.100 -0.034 0.000 1.141 102 T CB -0.546 68.331 68.868 0.015 0.000 0.868 102 T HN 0.425 nan 8.240 nan 0.000 0.444 103 A N 1.728 124.490 122.820 -0.097 0.000 1.933 103 A HA -0.126 4.194 4.320 0.000 0.000 0.218 103 A C 2.366 179.847 177.584 -0.172 0.000 1.175 103 A CA 1.456 53.424 52.037 -0.116 0.000 0.628 103 A CB -0.461 18.475 19.000 -0.106 0.000 0.814 103 A HN 0.405 nan 8.150 nan 0.000 0.444 104 R N -0.716 119.616 120.500 -0.280 0.000 2.115 104 R HA 0.043 4.383 4.340 0.000 0.000 0.226 104 R C 2.406 178.574 176.300 -0.220 0.000 1.100 104 R CA 0.979 56.888 56.100 -0.318 0.000 0.980 104 R CB -0.371 29.593 30.300 -0.560 0.000 0.875 104 R HN 0.499 nan 8.270 nan 0.000 0.445 105 A N 1.074 123.781 122.820 -0.188 0.000 1.972 105 A HA -0.171 4.149 4.320 0.000 0.000 0.219 105 A C 2.088 179.617 177.584 -0.092 0.000 1.169 105 A CA 1.205 53.164 52.037 -0.129 0.000 0.635 105 A CB -0.411 18.535 19.000 -0.090 0.000 0.810 105 A HN 0.318 nan 8.150 nan 0.000 0.446 106 M N -0.373 119.175 119.600 -0.087 0.000 2.132 106 M HA -0.097 4.383 4.480 0.000 0.000 0.263 106 M C 1.836 178.095 176.300 -0.068 0.000 1.065 106 M CA 1.809 57.070 55.300 -0.064 0.000 1.122 106 M CB -0.185 32.380 32.600 -0.057 0.000 1.365 106 M HN 0.179 nan 8.290 nan 0.000 0.411 107 V N 1.163 121.026 119.914 -0.085 0.000 2.343 107 V HA -0.269 3.851 4.120 0.000 0.000 0.247 107 V C 2.414 178.466 176.094 -0.070 0.000 1.051 107 V CA 1.669 63.924 62.300 -0.075 0.000 1.036 107 V CB -0.920 30.852 31.823 -0.086 0.000 0.654 107 V HN 0.580 nan 8.190 nan 0.000 0.451 108 L N 0.916 122.087 121.223 -0.086 0.000 2.056 108 L HA -0.037 4.303 4.340 0.000 0.000 0.207 108 L C 2.448 179.280 176.870 -0.064 0.000 1.078 108 L CA 2.306 57.099 54.840 -0.078 0.000 0.749 108 L CB -0.973 41.029 42.059 -0.094 0.000 0.901 108 L HN 0.205 nan 8.230 nan 0.000 0.433 109 A N -0.349 122.435 122.820 -0.060 0.000 1.908 109 A HA -0.270 4.050 4.320 0.000 0.000 0.218 109 A C 2.473 180.032 177.584 -0.041 0.000 1.181 109 A CA 1.890 53.897 52.037 -0.050 0.000 0.627 109 A CB -0.623 18.351 19.000 -0.044 0.000 0.818 109 A HN 0.482 nan 8.150 nan 0.000 0.445 110 R N -0.758 119.720 120.500 -0.037 0.000 2.092 110 R HA -0.069 4.271 4.340 0.000 0.000 0.231 110 R C 1.930 178.215 176.300 -0.025 0.000 1.119 110 R CA 1.461 57.545 56.100 -0.027 0.000 0.970 110 R CB -0.601 29.683 30.300 -0.027 0.000 0.864 110 R HN 0.452 nan 8.270 nan 0.000 0.440 111 L N -0.199 121.004 121.223 -0.033 0.000 2.017 111 L HA -0.090 4.250 4.340 0.000 0.000 0.208 111 L C 1.892 178.744 176.870 -0.030 0.000 1.073 111 L CA 1.615 56.436 54.840 -0.031 0.000 0.745 111 L CB -0.516 41.520 42.059 -0.038 0.000 0.894 111 L HN 0.053 nan 8.230 nan 0.000 0.432 112 V N -0.992 118.899 119.914 -0.039 0.000 2.343 112 V HA -0.281 3.839 4.120 0.000 0.000 0.247 112 V C 2.771 178.847 176.094 -0.031 0.000 1.051 112 V CA 1.832 64.106 62.300 -0.042 0.000 1.036 112 V CB -0.897 30.890 31.823 -0.061 0.000 0.654 112 V HN 0.640 nan 8.190 nan 0.000 0.451 113 S N -0.317 115.367 115.700 -0.027 0.000 2.356 113 S HA -0.148 4.322 4.470 0.000 0.000 0.223 113 S C 1.931 176.528 174.600 -0.006 0.000 1.032 113 S CA 1.734 59.924 58.200 -0.018 0.000 1.005 113 S CB -0.351 62.841 63.200 -0.014 0.000 0.867 113 S HN 0.517 nan 8.310 nan 0.000 0.449 114 I N 1.732 122.300 120.570 -0.003 0.000 2.286 114 I HA -0.163 4.007 4.170 0.000 0.000 0.248 114 I C 2.673 178.793 176.117 0.004 0.000 1.115 114 I CA 1.069 62.374 61.300 0.008 0.000 1.392 114 I CB -0.502 37.500 38.000 0.003 0.000 1.065 114 I HN 0.376 nan 8.210 nan 0.000 0.418 115 A N 0.083 122.900 122.820 -0.006 0.000 2.131 115 A HA -0.196 4.124 4.320 0.000 0.000 0.220 115 A C 2.104 179.688 177.584 0.001 0.000 1.158 115 A CA 1.160 53.193 52.037 -0.006 0.000 0.665 115 A CB -0.323 18.669 19.000 -0.013 0.000 0.795 115 A HN 0.408 nan 8.150 nan 0.000 0.460 116 Q N -1.178 118.624 119.800 0.003 0.000 2.369 116 Q HA 0.072 4.412 4.340 0.000 0.000 0.206 116 Q C 1.237 177.247 176.000 0.015 0.000 0.963 116 Q CA 0.844 56.652 55.803 0.008 0.000 0.894 116 Q CB -0.518 28.222 28.738 0.004 0.000 0.965 116 Q HN 1.075 nan 8.270 nan 0.000 0.475 117 G N 0.377 109.190 108.800 0.022 0.000 2.248 117 G HA2 -0.167 3.793 3.960 0.000 0.000 0.252 117 G HA3 -0.167 3.793 3.960 0.000 0.000 0.252 117 G C 0.418 175.353 174.900 0.059 0.000 1.085 117 G CA 0.395 45.514 45.100 0.032 0.000 0.845 117 G HN 0.525 nan 8.290 nan 0.000 0.494 118 A N -1.046 121.820 122.820 0.078 0.000 2.671 118 A HA 0.709 5.030 4.320 0.000 0.000 0.265 118 A C 1.627 179.331 177.584 0.200 0.000 1.148 118 A CA 1.368 53.477 52.037 0.120 0.000 0.977 118 A CB 0.249 19.277 19.000 0.047 0.000 1.242 118 A HN 0.823 nan 8.150 nan 0.000 0.591 119 S N -0.987 114.827 115.700 0.190 0.000 2.511 119 S HA 0.364 4.834 4.470 0.000 0.000 0.214 119 S C 1.542 176.330 174.600 0.314 0.000 0.997 119 S CA 0.697 59.037 58.200 0.234 0.000 0.908 119 S CB 0.412 63.679 63.200 0.112 0.000 0.803 119 S HN 1.683 nan 8.310 nan 0.000 0.504 120 G N 1.919 110.829 108.800 0.184 0.000 2.168 120 G HA2 -0.248 3.712 3.960 0.000 0.000 0.263 120 G HA3 -0.248 3.712 3.960 0.000 0.000 0.263 120 G C 0.241 175.127 174.900 -0.023 0.000 0.977 120 G CA 0.051 45.138 45.100 -0.022 0.000 0.659 120 G HN 0.906 nan 8.290 nan 0.000 0.533 121 A N 0.387 123.215 122.820 0.014 0.000 2.511 121 A HA 0.604 4.924 4.320 0.000 0.000 0.242 121 A C 1.145 178.685 177.584 -0.074 0.000 1.069 121 A CA 1.040 53.067 52.037 -0.018 0.000 0.763 121 A CB 0.197 19.194 19.000 -0.005 0.000 1.001 121 A HN 2.019 nan 8.150 nan 0.000 0.498 122 S N 1.709 117.330 115.700 -0.131 0.000 2.614 122 S HA 0.209 4.679 4.470 0.000 0.000 0.265 122 S C 0.709 175.204 174.600 -0.176 0.000 1.303 122 S CA 0.077 58.128 58.200 -0.248 0.000 1.000 122 S CB 0.710 63.569 63.200 -0.567 0.000 0.935 122 S HN 0.712 nan 8.310 nan 0.000 0.551 123 E N 1.248 121.343 120.200 -0.176 0.000 2.118 123 E HA -0.091 4.259 4.350 0.000 0.000 0.195 123 E C 2.127 178.676 176.600 -0.085 0.000 0.992 123 E CA 1.135 57.472 56.400 -0.104 0.000 0.804 123 E CB -0.727 28.922 29.700 -0.083 0.000 0.741 123 E HN 0.890 nan 8.360 nan 0.000 0.458 124 G N 0.558 109.294 108.800 -0.107 0.000 2.418 124 G HA2 -0.256 3.704 3.960 0.000 0.000 0.217 124 G HA3 -0.256 3.704 3.960 0.000 0.000 0.217 124 G C 1.637 176.513 174.900 -0.039 0.000 1.158 124 G CA 1.246 46.314 45.100 -0.054 0.000 0.771 124 G HN 0.179 nan 8.290 nan 0.000 0.545 125 T N 1.379 115.899 114.554 -0.056 0.000 2.708 125 T HA -0.052 4.298 4.350 0.000 0.000 0.266 125 T C 2.387 177.071 174.700 -0.027 0.000 1.037 125 T CA 0.996 63.077 62.100 -0.031 0.000 1.146 125 T CB -0.166 68.682 68.868 -0.033 0.000 0.865 125 T HN 0.242 nan 8.240 nan 0.000 0.435 126 I N 1.296 121.843 120.570 -0.037 0.000 2.286 126 I HA -0.176 3.994 4.170 0.000 0.000 0.248 126 I C 2.894 178.996 176.117 -0.024 0.000 1.115 126 I CA 1.037 62.320 61.300 -0.030 0.000 1.392 126 I CB -0.466 37.514 38.000 -0.034 0.000 1.065 126 I HN 0.194 nan 8.210 nan 0.000 0.418 127 A N 0.789 123.594 122.820 -0.025 0.000 1.933 127 A HA -0.174 4.146 4.320 0.000 0.000 0.218 127 A C 2.346 179.924 177.584 -0.011 0.000 1.175 127 A CA 1.236 53.262 52.037 -0.018 0.000 0.628 127 A CB -0.384 18.605 19.000 -0.018 0.000 0.814 127 A HN 0.242 nan 8.150 nan 0.000 0.444 128 R N -0.161 120.336 120.500 -0.006 0.000 2.081 128 R HA -0.053 4.287 4.340 0.000 0.000 0.235 128 R C 2.044 178.348 176.300 0.007 0.000 1.131 128 R CA 1.269 57.373 56.100 0.007 0.000 0.960 128 R CB -1.051 29.258 30.300 0.016 0.000 0.856 128 R HN 0.602 nan 8.270 nan 0.000 0.436 129 L N 0.151 121.371 121.223 -0.005 0.000 2.056 129 L HA -0.095 4.245 4.340 0.000 0.000 0.207 129 L C 2.507 179.365 176.870 -0.020 0.000 1.078 129 L CA 1.101 55.933 54.840 -0.013 0.000 0.749 129 L CB -0.461 41.585 42.059 -0.021 0.000 0.901 129 L HN 0.074 nan 8.230 nan 0.000 0.433 130 I N -0.046 120.511 120.570 -0.020 0.000 2.179 130 I HA -0.287 3.883 4.170 0.000 0.000 0.242 130 I C 2.147 178.252 176.117 -0.019 0.000 1.088 130 I CA 1.209 62.495 61.300 -0.023 0.000 1.357 130 I CB -0.434 37.554 38.000 -0.020 0.000 1.051 130 I HN 0.277 nan 8.210 nan 0.000 0.409 131 D N 0.835 121.227 120.400 -0.013 0.000 2.123 131 D HA -0.179 4.461 4.640 0.000 0.000 0.196 131 D C 2.157 178.450 176.300 -0.012 0.000 0.992 131 D CA 0.966 54.959 54.000 -0.012 0.000 0.833 131 D CB -0.352 40.442 40.800 -0.011 0.000 0.954 131 D HN 0.168 nan 8.370 nan 0.000 0.455 132 L N 0.879 122.099 121.223 -0.005 0.000 2.012 132 L HA -0.147 4.193 4.340 0.000 0.000 0.210 132 L C 2.184 179.036 176.870 -0.030 0.000 1.073 132 L CA 1.407 56.249 54.840 0.003 0.000 0.748 132 L CB -0.892 41.186 42.059 0.031 0.000 0.891 132 L HN 0.091 nan 8.230 nan 0.000 0.431 133 L N 0.063 121.256 121.223 -0.049 0.000 2.191 133 L HA -0.199 4.141 4.340 0.000 0.000 0.212 133 L C 1.910 178.752 176.870 -0.047 0.000 1.103 133 L CA 0.851 55.643 54.840 -0.079 0.000 0.769 133 L CB -0.535 41.478 42.059 -0.078 0.000 0.908 133 L HN 0.382 nan 8.230 nan 0.000 0.438 134 N N -0.502 118.185 118.700 -0.022 0.000 2.412 134 N HA -0.012 4.728 4.740 0.000 0.000 0.184 134 N C 0.919 176.440 175.510 0.018 0.000 1.101 134 N CA 0.371 53.420 53.050 -0.002 0.000 0.881 134 N CB 0.192 38.677 38.487 -0.004 0.000 0.969 134 N HN 0.337 nan 8.380 nan 0.000 0.459 135 S N 0.020 115.732 115.700 0.020 0.000 2.671 135 S HA 0.287 4.757 4.470 0.000 0.000 0.272 135 S C 0.767 175.441 174.600 0.124 0.000 1.174 135 S CA -0.435 57.790 58.200 0.042 0.000 1.004 135 S CB 1.398 64.603 63.200 0.008 0.000 1.077 135 S HN -0.080 nan 8.310 nan 0.000 0.553 136 E N -0.014 120.283 120.200 0.161 0.000 2.465 136 E HA 0.362 4.712 4.350 0.000 0.000 0.195 136 E C -0.171 176.725 176.600 0.492 0.000 1.028 136 E CA -0.018 56.567 56.400 0.309 0.000 0.899 136 E CB -0.109 29.674 29.700 0.140 0.000 1.032 136 E HN 0.500 nan 8.360 nan 0.000 0.468 137 L N -0.159 121.269 121.223 0.341 0.000 2.331 137 L HA 0.764 5.104 4.340 0.000 0.000 0.268 137 L C -0.047 176.940 176.870 0.195 0.000 1.015 137 L CA -1.084 53.982 54.840 0.376 0.000 0.807 137 L CB 1.574 43.721 42.059 0.146 0.000 1.293 137 L HN -0.171 nan 8.230 nan 0.000 0.451 138 A N 0.904 123.857 122.820 0.222 0.000 2.549 138 A HA 0.793 5.113 4.320 0.000 0.000 0.297 138 A C -2.819 174.848 177.584 0.140 0.000 1.061 138 A CA -1.351 50.669 52.037 -0.029 0.000 0.690 138 A CB 1.870 20.641 19.000 -0.381 0.000 1.287 138 A HN 0.362 nan 8.150 nan 0.000 0.402 139 P HA 0.378 nan 4.420 nan 0.000 0.275 139 P C -0.321 176.890 177.300 -0.149 0.000 1.228 139 P CA 0.092 63.058 63.100 -0.222 0.000 0.786 139 P CB 1.305 32.870 31.700 -0.225 0.000 0.927 140 A N 3.529 126.233 122.820 -0.194 0.000 2.391 140 A HA 0.490 4.810 4.320 0.000 0.000 0.316 140 A C 0.263 177.773 177.584 -0.123 0.000 1.381 140 A CA -0.478 51.498 52.037 -0.101 0.000 0.998 140 A CB -0.506 18.454 19.000 -0.067 0.000 1.147 140 A HN 0.438 nan 8.150 nan 0.000 0.545 141 V N 1.014 120.861 119.914 -0.111 0.000 2.604 141 V HA 0.754 4.874 4.120 0.000 0.000 0.305 141 V C -2.747 173.237 176.094 -0.183 0.000 1.043 141 V CA -2.629 59.582 62.300 -0.148 0.000 0.888 141 V CB 1.775 33.547 31.823 -0.085 0.000 0.995 141 V HN 0.639 nan 8.190 nan 0.000 0.429 142 P HA 0.135 nan 4.420 nan 0.000 0.269 142 P C 0.786 177.998 177.300 -0.146 0.000 1.209 142 P CA 0.278 63.236 63.100 -0.237 0.000 0.776 142 P CB 1.409 32.904 31.700 -0.343 0.000 0.876 143 S N 2.491 118.141 115.700 -0.084 0.000 2.461 143 S HA 0.024 4.494 4.470 0.000 0.000 0.228 143 S C 0.847 175.428 174.600 -0.032 0.000 1.005 143 S CA 0.093 58.266 58.200 -0.046 0.000 0.942 143 S CB -0.113 63.074 63.200 -0.023 0.000 0.776 143 S HN 0.406 nan 8.310 nan 0.000 0.514 144 R N -0.260 120.217 120.500 -0.038 0.000 2.720 144 R HA 0.633 4.973 4.340 0.000 0.000 0.272 144 R C 0.836 177.129 176.300 -0.011 0.000 0.991 144 R CA -0.014 56.075 56.100 -0.018 0.000 1.010 144 R CB 1.503 31.795 30.300 -0.013 0.000 1.141 144 R HN 0.315 nan 8.270 nan 0.000 0.494 145 G N 0.158 108.962 108.800 0.007 0.000 2.797 145 G HA2 -0.217 3.743 3.960 0.000 0.000 0.195 145 G HA3 -0.217 3.743 3.960 0.000 0.000 0.195 145 G C 0.119 175.033 174.900 0.024 0.000 1.026 145 G CA -0.077 45.036 45.100 0.022 0.000 0.759 145 G HN 0.602 nan 8.290 nan 0.000 0.475 146 T N 0.828 115.392 114.554 0.017 0.000 2.928 146 T HA 0.522 4.872 4.350 0.000 0.000 0.284 146 T C 1.504 176.216 174.700 0.020 0.000 1.008 146 T CA 0.520 62.629 62.100 0.014 0.000 1.057 146 T CB 1.611 70.482 68.868 0.006 0.000 1.018 146 T HN 1.161 nan 8.240 nan 0.000 0.493 147 V N 1.184 121.111 119.914 0.020 0.000 3.542 147 V HA 0.595 4.715 4.120 0.000 0.000 0.296 147 V C 1.150 177.267 176.094 0.038 0.000 1.364 147 V CA 0.213 62.533 62.300 0.032 0.000 1.118 147 V CB -1.316 30.528 31.823 0.035 0.000 0.972 147 V HN 1.357 nan 8.190 nan 0.000 0.430 153 L N -0.284 120.894 121.223 -0.075 0.000 2.017 153 L HA -0.141 4.199 4.340 0.000 0.000 0.208 153 L C 2.356 179.159 176.870 -0.111 0.000 1.073 153 L CA 1.471 56.241 54.840 -0.116 0.000 0.745 153 L CB -0.701 41.261 42.059 -0.161 0.000 0.894 153 L HN 0.096 nan 8.230 nan 0.000 0.432 154 T N 0.584 115.100 114.554 -0.063 0.000 2.622 154 T HA -0.115 4.235 4.350 0.000 0.000 0.266 154 T C -0.401 174.351 174.700 0.087 0.000 1.047 154 T CA 1.890 63.986 62.100 -0.007 0.000 1.159 154 T CB -1.327 67.568 68.868 0.045 0.000 0.863 154 T HN 0.318 nan 8.240 nan 0.000 0.422 155 P HA 0.005 nan 4.420 nan 0.000 0.218 155 P C 1.572 178.894 177.300 0.036 0.000 1.149 155 P CA 1.022 64.165 63.100 0.071 0.000 0.817 155 P CB -0.239 31.465 31.700 0.007 0.000 0.785 156 L N -0.791 120.421 121.223 -0.019 0.000 2.156 156 L HA -0.051 4.289 4.340 0.000 0.000 0.208 156 L C 2.771 179.591 176.870 -0.083 0.000 1.095 156 L CA 1.167 55.977 54.840 -0.050 0.000 0.770 156 L CB -0.958 41.065 42.059 -0.060 0.000 0.914 156 L HN -0.057 nan 8.230 nan 0.000 0.439 157 A N -0.865 121.879 122.820 -0.127 0.000 1.898 157 A HA -0.213 4.107 4.320 0.000 0.000 0.216 157 A C 2.122 179.578 177.584 -0.214 0.000 1.181 157 A CA 1.227 53.132 52.037 -0.220 0.000 0.620 157 A CB -0.684 18.118 19.000 -0.330 0.000 0.819 157 A HN 0.392 nan 8.150 nan 0.000 0.442 158 H N -1.174 117.831 119.070 -0.108 0.000 2.387 158 H HA -0.096 4.460 4.556 0.000 0.000 0.299 158 H C 2.091 177.345 175.328 -0.124 0.000 1.090 158 H CA 1.732 57.718 56.048 -0.102 0.000 1.332 158 H CB -0.269 29.438 29.762 -0.092 0.000 1.386 158 H HN 0.584 nan 8.280 nan 0.000 0.516 159 M N 0.619 120.214 119.600 -0.009 0.000 2.086 159 M HA -0.159 4.321 4.480 0.000 0.000 0.261 159 M C 2.138 178.388 176.300 -0.082 0.000 1.067 159 M CA 1.343 56.602 55.300 -0.068 0.000 1.116 159 M CB -0.122 32.443 32.600 -0.058 0.000 1.348 159 M HN -0.000 nan 8.290 nan 0.000 0.407 160 V N 1.348 121.215 119.914 -0.079 0.000 2.287 160 V HA -0.320 3.800 4.120 0.000 0.000 0.248 160 V C 2.464 178.518 176.094 -0.067 0.000 1.053 160 V CA 1.959 64.215 62.300 -0.073 0.000 1.027 160 V CB -0.857 30.907 31.823 -0.098 0.000 0.646 160 V HN 0.551 nan 8.190 nan 0.000 0.447 161 L N -0.772 120.402 121.223 -0.082 0.000 2.042 161 L HA -0.252 4.088 4.340 0.000 0.000 0.210 161 L C 2.680 179.510 176.870 -0.066 0.000 1.076 161 L CA 1.793 56.599 54.840 -0.057 0.000 0.749 161 L CB -0.813 41.212 42.059 -0.056 0.000 0.893 161 L HN 0.418 nan 8.230 nan 0.000 0.432 162 C N -0.109 119.104 119.300 -0.145 0.000 2.413 162 C HA -0.164 4.296 4.460 0.000 0.000 0.276 162 C C 2.673 177.571 174.990 -0.154 0.000 1.236 162 C CA 0.485 59.297 59.018 -0.343 0.000 1.735 162 C CB -0.881 26.496 27.740 -0.605 0.000 2.031 162 C HN 0.445 nan 8.230 nan 0.000 0.474 163 L N 0.285 121.496 121.223 -0.021 0.000 2.362 163 L HA -0.154 4.186 4.340 0.000 0.000 0.219 163 L C 2.323 179.272 176.870 0.132 0.000 1.134 163 L CA 1.234 56.162 54.840 0.145 0.000 0.807 163 L CB -0.673 41.431 42.059 0.075 0.000 0.927 163 L HN 0.540 nan 8.230 nan 0.000 0.447 164 Q N -0.367 119.478 119.800 0.076 0.000 2.319 164 Q HA 0.136 4.476 4.340 0.000 0.000 0.202 164 Q C 1.359 177.414 176.000 0.092 0.000 0.896 164 Q CA 0.480 56.322 55.803 0.066 0.000 0.942 164 Q CB 0.708 29.464 28.738 0.030 0.000 1.083 164 Q HN 0.544 nan 8.270 nan 0.000 0.510 165 G N 1.831 110.721 108.800 0.150 0.000 2.159 165 G HA2 -0.320 3.640 3.960 0.000 0.000 0.256 165 G HA3 -0.320 3.640 3.960 0.000 0.000 0.256 165 G C 0.591 175.558 174.900 0.112 0.000 0.977 165 G CA 0.121 45.330 45.100 0.181 0.000 0.652 165 G HN 0.326 nan 8.290 nan 0.000 0.531 166 R N 0.213 120.751 120.500 0.063 0.000 2.515 166 R HA 0.471 4.811 4.340 0.000 0.000 0.294 166 R C 1.004 177.310 176.300 0.011 0.000 1.021 166 R CA 0.517 56.640 56.100 0.039 0.000 1.081 166 R CB 0.676 30.999 30.300 0.038 0.000 1.263 166 R HN 0.520 nan 8.270 nan 0.000 0.557 167 G N -0.360 108.428 108.800 -0.021 0.000 2.692 167 G HA2 0.225 4.186 3.960 0.000 0.000 0.291 167 G HA3 0.225 4.186 3.960 0.000 0.000 0.291 167 G C -1.511 173.308 174.900 -0.136 0.000 1.423 167 G CA -0.682 44.371 45.100 -0.078 0.000 0.843 167 G HN -0.112 nan 8.290 nan 0.000 0.486 168 D N -0.536 119.797 120.400 -0.113 0.000 2.360 168 D HA 0.595 5.235 4.640 0.000 0.000 0.242 168 D C -0.496 175.671 176.300 -0.223 0.000 1.184 168 D CA 0.543 54.510 54.000 -0.056 0.000 0.930 168 D CB 0.874 41.674 40.800 -0.000 0.000 1.161 168 D HN 0.105 nan 8.370 nan 0.000 0.447 169 F N -0.613 119.362 119.950 0.041 0.000 2.611 169 F HA 0.529 5.056 4.527 0.000 0.000 0.324 169 F C -0.288 175.558 175.800 0.078 0.000 1.061 169 F CA -0.907 57.125 58.000 0.054 0.000 0.954 169 F CB 1.205 40.238 39.000 0.054 0.000 1.301 169 F HN -0.059 nan 8.300 nan 0.000 0.482 170 L N 1.528 122.957 121.223 0.342 0.000 2.365 170 L HA 0.432 4.772 4.340 0.000 0.000 0.273 170 L C -0.985 176.104 176.870 0.365 0.000 1.000 170 L CA -1.054 53.962 54.840 0.294 0.000 0.819 170 L CB 1.816 44.053 42.059 0.297 0.000 1.284 170 L HN 0.593 nan 8.230 nan 0.000 0.418 171 D N 1.053 121.565 120.400 0.188 0.000 2.451 171 D HA 0.188 4.828 4.640 0.000 0.000 0.259 171 D C 0.858 177.022 176.300 -0.227 0.000 1.201 171 D CA -0.557 53.481 54.000 0.064 0.000 1.028 171 D CB 0.747 41.539 40.800 -0.012 0.000 1.095 171 D HN 0.304 nan 8.370 nan 0.000 0.539 172 R N -0.828 119.294 120.500 -0.630 0.000 2.159 172 R HA -0.097 4.243 4.340 0.000 0.000 0.237 172 R C 0.357 176.323 176.300 -0.557 0.000 1.131 172 R CA 1.292 56.683 56.100 -1.183 0.000 0.982 172 R CB -0.139 29.549 30.300 -1.020 0.000 0.868 172 R HN 0.512 nan 8.270 nan 0.000 0.453 173 D N -1.114 119.117 120.400 -0.282 0.000 2.328 173 D HA 0.081 4.721 4.640 0.000 0.000 0.221 173 D C 1.064 177.330 176.300 -0.058 0.000 1.072 173 D CA 0.767 54.682 54.000 -0.142 0.000 0.850 173 D CB 0.845 41.585 40.800 -0.101 0.000 0.922 173 D HN 0.423 nan 8.370 nan 0.000 0.516 174 G N 1.068 109.854 108.800 -0.024 0.000 2.179 174 G HA2 -0.283 3.677 3.960 0.000 0.000 0.260 174 G HA3 -0.283 3.677 3.960 0.000 0.000 0.260 174 G C 0.645 175.573 174.900 0.047 0.000 0.977 174 G CA 0.320 45.449 45.100 0.049 0.000 0.641 174 G HN 0.309 nan 8.290 nan 0.000 0.533 175 T N 2.237 116.806 114.554 0.025 0.000 2.853 175 T HA 0.403 4.753 4.350 0.000 0.000 0.298 175 T C 0.887 175.624 174.700 0.062 0.000 0.978 175 T CA 0.103 62.221 62.100 0.030 0.000 1.152 175 T CB 0.633 69.508 68.868 0.012 0.000 0.914 175 T HN 0.420 nan 8.240 nan 0.000 0.539 176 R N 2.663 123.198 120.500 0.059 0.000 2.410 176 R HA 0.549 4.889 4.340 0.000 0.000 0.288 176 R C -0.367 175.984 176.300 0.085 0.000 1.051 176 R CA -0.500 55.647 56.100 0.079 0.000 1.021 176 R CB 0.680 31.014 30.300 0.056 0.000 1.032 176 R HN 0.505 nan 8.270 nan 0.000 0.481 177 L N 1.969 123.268 121.223 0.127 0.000 2.354 177 L HA 0.337 4.677 4.340 0.000 0.000 0.269 177 L C -0.152 176.814 176.870 0.159 0.000 1.005 177 L CA -1.278 53.640 54.840 0.129 0.000 0.819 177 L CB 1.861 44.005 42.059 0.143 0.000 1.311 177 L HN 0.669 nan 8.230 nan 0.000 0.423 178 D N 0.962 121.437 120.400 0.125 0.000 2.398 178 D HA 0.112 4.752 4.640 0.000 0.000 0.247 178 D C 1.185 177.610 176.300 0.209 0.000 1.227 178 D CA -0.065 54.011 54.000 0.127 0.000 0.980 178 D CB 0.779 41.627 40.800 0.081 0.000 1.106 178 D HN 0.565 nan 8.370 nan 0.000 0.493 179 G N -0.244 108.671 108.800 0.193 0.000 2.514 179 G HA2 -0.262 3.698 3.960 0.000 0.000 0.217 179 G HA3 -0.262 3.698 3.960 0.000 0.000 0.217 179 G C 1.526 176.560 174.900 0.225 0.000 1.198 179 G CA 2.085 47.353 45.100 0.280 0.000 0.780 179 G HN 0.712 nan 8.290 nan 0.000 0.565 180 A N 0.657 123.550 122.820 0.122 0.000 1.892 180 A HA -0.120 4.200 4.320 0.000 0.000 0.218 180 A C 2.231 179.836 177.584 0.034 0.000 1.188 180 A CA 2.450 54.527 52.037 0.067 0.000 0.631 180 A CB -0.530 18.498 19.000 0.048 0.000 0.822 180 A HN 0.431 nan 8.150 nan 0.000 0.447 181 E N 0.037 120.264 120.200 0.044 0.000 2.153 181 E HA -0.037 4.313 4.350 0.000 0.000 0.194 181 E C 1.950 178.521 176.600 -0.048 0.000 0.988 181 E CA 1.498 57.905 56.400 0.012 0.000 0.811 181 E CB -0.812 28.909 29.700 0.035 0.000 0.746 181 E HN 0.419 nan 8.360 nan 0.000 0.466 182 G N 0.594 109.358 108.800 -0.060 0.000 2.404 182 G HA2 -0.203 3.757 3.960 0.000 0.000 0.215 182 G HA3 -0.203 3.757 3.960 0.000 0.000 0.215 182 G C 1.598 176.155 174.900 -0.571 0.000 1.174 182 G CA 0.839 45.680 45.100 -0.431 0.000 0.780 182 G HN 0.311 nan 8.290 nan 0.000 0.537 183 L N -0.265 120.747 121.223 -0.351 0.000 2.083 183 L HA -0.010 4.330 4.340 0.000 0.000 0.209 183 L C 2.921 179.703 176.870 -0.147 0.000 1.083 183 L CA 1.034 55.739 54.840 -0.225 0.000 0.752 183 L CB -0.382 41.640 42.059 -0.062 0.000 0.899 183 L HN 0.193 nan 8.230 nan 0.000 0.433 184 R N 0.560 120.998 120.500 -0.104 0.000 2.064 184 R HA -0.177 4.163 4.340 0.000 0.000 0.228 184 R C 2.537 178.791 176.300 -0.077 0.000 1.144 184 R CA 1.583 57.642 56.100 -0.067 0.000 0.932 184 R CB -0.215 30.061 30.300 -0.039 0.000 0.833 184 R HN 0.144 nan 8.270 nan 0.000 0.429 185 R N -0.454 119.994 120.500 -0.086 0.000 2.105 185 R HA -0.110 4.230 4.340 0.000 0.000 0.239 185 R C 1.907 178.156 176.300 -0.085 0.000 1.135 185 R CA 1.895 57.952 56.100 -0.072 0.000 0.967 185 R CB -0.506 29.757 30.300 -0.062 0.000 0.861 185 R HN 0.432 nan 8.270 nan 0.000 0.442 186 G N -0.408 108.306 108.800 -0.144 0.000 2.880 186 G HA2 -0.067 3.893 3.960 0.000 0.000 0.209 186 G HA3 -0.067 3.893 3.960 0.000 0.000 0.209 186 G C -0.158 174.683 174.900 -0.098 0.000 1.157 186 G CA -0.091 44.930 45.100 -0.132 0.000 0.779 186 G HN 0.368 nan 8.290 nan 0.000 0.539 187 R N -1.112 119.334 120.500 -0.090 0.000 3.267 187 R HA -0.134 4.206 4.340 0.000 0.000 0.254 187 R C -0.755 175.509 176.300 -0.060 0.000 0.993 187 R CA 0.257 56.321 56.100 -0.060 0.000 0.670 187 R CB -2.328 27.948 30.300 -0.039 0.000 1.125 187 R HN 0.332 nan 8.270 nan 0.000 0.434 188 L N 0.669 121.843 121.223 -0.082 0.000 2.334 188 L HA 0.395 4.735 4.340 0.000 0.000 0.276 188 L C 0.698 177.550 176.870 -0.031 0.000 1.014 188 L CA -1.104 53.700 54.840 -0.062 0.000 0.815 188 L CB 1.621 43.621 42.059 -0.098 0.000 1.268 188 L HN 0.008 nan 8.230 nan 0.000 0.428 189 Q N 3.047 122.842 119.800 -0.008 0.000 2.259 189 Q HA 0.349 4.689 4.340 0.000 0.000 0.249 189 Q C -2.271 173.744 176.000 0.025 0.000 0.914 189 Q CA -1.842 53.965 55.803 0.006 0.000 0.904 189 Q CB 1.250 29.992 28.738 0.008 0.000 1.213 189 Q HN 0.303 nan 8.270 nan 0.000 0.428 190 P HA -0.001 nan 4.420 nan 0.000 0.271 190 P C -0.252 177.074 177.300 0.043 0.000 1.216 190 P CA -0.490 62.639 63.100 0.048 0.000 0.771 190 P CB 0.535 32.260 31.700 0.043 0.000 0.864 191 L N 3.205 124.457 121.223 0.049 0.000 2.513 191 L HA 0.142 4.482 4.340 0.000 0.000 0.272 191 L C -0.129 176.759 176.870 0.031 0.000 1.187 191 L CA 0.608 55.469 54.840 0.036 0.000 0.895 191 L CB -0.599 41.478 42.059 0.030 0.000 1.147 191 L HN 0.319 nan 8.230 nan 0.000 0.483 192 D N 4.298 124.720 120.400 0.037 0.000 2.425 192 D HA 0.290 4.930 4.640 0.000 0.000 0.240 192 D C -0.181 176.157 176.300 0.064 0.000 1.080 192 D CA -0.256 53.771 54.000 0.045 0.000 0.836 192 D CB 0.820 41.653 40.800 0.055 0.000 1.125 192 D HN 0.625 nan 8.370 nan 0.000 0.525 193 L N 3.415 124.664 121.223 0.043 0.000 2.912 193 L HA 0.149 4.489 4.340 0.000 0.000 0.240 193 L C 1.819 178.721 176.870 0.053 0.000 1.262 193 L CA -0.201 54.670 54.840 0.053 0.000 1.058 193 L CB -0.227 41.840 42.059 0.015 0.000 1.383 193 L HN 0.448 nan 8.230 nan 0.000 0.512 194 S N -1.918 113.810 115.700 0.047 0.000 2.419 194 S HA -0.217 4.253 4.470 0.000 0.000 0.233 194 S C 1.433 175.964 174.600 -0.114 0.000 1.016 194 S CA 0.997 59.165 58.200 -0.053 0.000 0.974 194 S CB -0.446 62.680 63.200 -0.124 0.000 0.786 194 S HN 0.550 nan 8.310 nan 0.000 0.492 195 H N 1.543 120.606 119.070 -0.011 0.000 2.543 195 H HA 0.374 4.930 4.556 0.000 0.000 0.269 195 H C 0.531 175.850 175.328 -0.014 0.000 1.005 195 H CA 0.326 56.364 56.048 -0.016 0.000 1.146 195 H CB -0.190 29.559 29.762 -0.021 0.000 1.353 195 H HN 0.374 nan 8.280 nan 0.000 0.595 196 R N 0.897 121.444 120.500 0.079 0.000 3.531 196 R HA -0.139 4.201 4.340 0.000 0.000 0.280 196 R C -0.754 175.592 176.300 0.077 0.000 1.130 196 R CA 0.882 57.018 56.100 0.060 0.000 0.757 196 R CB -1.760 28.564 30.300 0.041 0.000 1.218 196 R HN 0.543 nan 8.270 nan 0.000 0.454 197 D N -1.108 119.341 120.400 0.082 0.000 2.615 197 D HA 0.249 4.889 4.640 0.000 0.000 0.236 197 D C 1.155 177.492 176.300 0.062 0.000 1.233 197 D CA 0.287 54.331 54.000 0.073 0.000 0.829 197 D CB 0.402 41.231 40.800 0.048 0.000 1.024 197 D HN 0.281 nan 8.370 nan 0.000 0.490 198 A N 0.356 123.209 122.820 0.054 0.000 1.933 198 A HA -0.093 4.227 4.320 0.000 0.000 0.218 198 A C 1.906 179.504 177.584 0.023 0.000 1.175 198 A CA 0.742 52.790 52.037 0.019 0.000 0.628 198 A CB -0.436 18.561 19.000 -0.005 0.000 0.814 198 A HN 0.278 nan 8.150 nan 0.000 0.444 199 L N -0.527 120.742 121.223 0.077 0.000 2.456 199 L HA -0.046 4.294 4.340 0.000 0.000 0.224 199 L C 2.643 179.564 176.870 0.087 0.000 1.148 199 L CA 1.329 56.227 54.840 0.096 0.000 0.825 199 L CB -0.646 41.521 42.059 0.180 0.000 0.937 199 L HN 0.391 nan 8.230 nan 0.000 0.450 200 A N -1.333 121.537 122.820 0.082 0.000 2.119 200 A HA 0.057 4.377 4.320 0.000 0.000 0.216 200 A C 2.153 179.754 177.584 0.029 0.000 1.152 200 A CA 0.899 52.977 52.037 0.069 0.000 0.708 200 A CB -0.226 18.815 19.000 0.069 0.000 0.805 200 A HN 0.385 nan 8.150 nan 0.000 0.460 201 L N -1.024 120.204 121.223 0.009 0.000 2.286 201 L HA 0.111 4.451 4.340 0.000 0.000 0.203 201 L C 0.128 176.978 176.870 -0.034 0.000 1.068 201 L CA 0.302 55.132 54.840 -0.016 0.000 0.811 201 L CB 0.171 42.213 42.059 -0.028 0.000 0.989 201 L HN 0.047 nan 8.230 nan 0.000 0.467 202 V N 2.092 121.976 119.914 -0.049 0.000 2.258 202 V HA 0.345 4.465 4.120 0.000 0.000 0.258 202 V C -0.434 175.633 176.094 -0.045 0.000 1.121 202 V CA -0.172 62.078 62.300 -0.082 0.000 0.942 202 V CB -0.310 31.419 31.823 -0.157 0.000 1.170 202 V HN 0.336 nan 8.190 nan 0.000 0.487 203 N N 1.965 120.653 118.700 -0.020 0.000 3.348 203 N HA 0.512 5.253 4.740 0.000 0.000 0.233 203 N C -0.029 175.502 175.510 0.035 0.000 1.440 203 N CA 0.593 53.655 53.050 0.020 0.000 0.887 203 N CB 2.296 40.815 38.487 0.054 0.000 1.410 203 N HN 0.746 nan 8.380 nan 0.000 0.502 204 G N 0.035 108.889 108.800 0.091 0.000 2.645 204 G HA2 -0.248 3.712 3.960 0.000 0.000 0.246 204 G HA3 -0.248 3.712 3.960 0.000 0.000 0.246 204 G C 0.212 175.154 174.900 0.071 0.000 1.322 204 G CA 0.499 45.655 45.100 0.094 0.000 0.898 204 G HN 1.183 nan 8.290 nan 0.000 0.573 205 T N -3.049 111.534 114.554 0.048 0.000 3.258 205 T HA 0.571 4.921 4.350 0.000 0.000 0.263 205 T C 1.801 176.505 174.700 0.007 0.000 0.983 205 T CA 0.936 63.056 62.100 0.033 0.000 0.907 205 T CB 0.411 69.298 68.868 0.032 0.000 1.096 205 T HN 0.824 nan 8.240 nan 0.000 0.556 206 S N 1.706 117.405 115.700 -0.001 0.000 2.370 206 S HA -0.079 4.391 4.470 0.000 0.000 0.226 206 S C 2.465 177.054 174.600 -0.018 0.000 1.033 206 S CA 1.315 59.506 58.200 -0.016 0.000 1.011 206 S CB -0.587 62.600 63.200 -0.021 0.000 0.852 206 S HN 0.837 nan 8.310 nan 0.000 0.457 207 A N 2.529 125.342 122.820 -0.012 0.000 1.872 207 A HA -0.052 4.268 4.320 0.000 0.000 0.214 207 A C 2.271 179.855 177.584 -0.000 0.000 1.187 207 A CA 1.661 53.692 52.037 -0.011 0.000 0.614 207 A CB -0.759 18.236 19.000 -0.009 0.000 0.826 207 A HN 0.661 nan 8.150 nan 0.000 0.442 208 M N -1.529 118.076 119.600 0.007 0.000 2.229 208 M HA -0.072 4.408 4.480 0.000 0.000 0.264 208 M C 1.757 178.064 176.300 0.011 0.000 1.063 208 M CA 2.244 57.554 55.300 0.016 0.000 1.114 208 M CB -1.241 31.372 32.600 0.021 0.000 1.387 208 M HN 0.144 nan 8.290 nan 0.000 0.420 209 T N 1.175 115.727 114.554 -0.004 0.000 2.777 209 T HA 0.017 4.367 4.350 0.000 0.000 0.266 209 T C 1.976 176.673 174.700 -0.006 0.000 1.040 209 T CA 1.601 63.691 62.100 -0.017 0.000 1.141 209 T CB -0.710 68.140 68.868 -0.031 0.000 0.868 209 T HN 0.714 nan 8.240 nan 0.000 0.444 210 G N 1.378 110.173 108.800 -0.009 0.000 2.421 210 G HA2 -0.124 3.836 3.960 0.000 0.000 0.216 210 G HA3 -0.124 3.836 3.960 0.000 0.000 0.216 210 G C 1.519 176.431 174.900 0.019 0.000 1.171 210 G CA 0.476 45.570 45.100 -0.010 0.000 0.775 210 G HN 0.486 nan 8.290 nan 0.000 0.543 211 I N 1.440 122.026 120.570 0.028 0.000 2.226 211 I HA -0.173 3.997 4.170 0.000 0.000 0.245 211 I C 3.255 179.424 176.117 0.087 0.000 1.100 211 I CA 1.018 62.350 61.300 0.053 0.000 1.374 211 I CB -0.167 37.861 38.000 0.047 0.000 1.057 211 I HN 0.240 nan 8.210 nan 0.000 0.413 212 A N 1.268 124.141 122.820 0.089 0.000 1.930 212 A HA -0.156 4.164 4.320 0.000 0.000 0.217 212 A C 2.250 179.941 177.584 0.179 0.000 1.175 212 A CA 1.711 53.840 52.037 0.153 0.000 0.627 212 A CB -0.790 18.271 19.000 0.101 0.000 0.815 212 A HN 0.503 nan 8.150 nan 0.000 0.443 213 L N -1.844 119.448 121.223 0.115 0.000 2.141 213 L HA 0.002 4.342 4.340 0.000 0.000 0.209 213 L C 1.971 178.955 176.870 0.190 0.000 1.094 213 L CA 1.589 56.507 54.840 0.130 0.000 0.763 213 L CB -1.119 40.983 42.059 0.072 0.000 0.908 213 L HN 0.010 nan 8.230 nan 0.000 0.437 214 V N 0.860 120.883 119.914 0.182 0.000 2.453 214 V HA -0.177 3.943 4.120 0.000 0.000 0.247 214 V C 2.491 178.714 176.094 0.215 0.000 1.048 214 V CA 1.745 64.193 62.300 0.247 0.000 1.049 214 V CB -0.994 30.935 31.823 0.176 0.000 0.672 214 V HN 0.506 nan 8.190 nan 0.000 0.457 215 N N 0.871 119.669 118.700 0.163 0.000 2.084 215 N HA -0.135 4.605 4.740 0.000 0.000 0.190 215 N C 1.941 177.507 175.510 0.094 0.000 1.030 215 N CA 1.749 54.872 53.050 0.121 0.000 0.849 215 N CB -0.591 37.953 38.487 0.094 0.000 1.012 215 N HN 0.476 nan 8.380 nan 0.000 0.423 216 A N 0.433 123.332 122.820 0.133 0.000 1.883 216 A HA -0.231 4.089 4.320 0.000 0.000 0.217 216 A C 2.132 179.745 177.584 0.048 0.000 1.186 216 A CA 1.988 54.087 52.037 0.102 0.000 0.624 216 A CB -1.025 18.093 19.000 0.197 0.000 0.822 216 A HN 0.465 nan 8.150 nan 0.000 0.444 217 H N -0.200 118.850 119.070 -0.033 0.000 2.321 217 H HA 0.021 4.577 4.556 0.000 0.000 0.300 217 H C 2.246 177.503 175.328 -0.119 0.000 1.087 217 H CA 2.105 58.050 56.048 -0.172 0.000 1.319 217 H CB -0.308 29.222 29.762 -0.386 0.000 1.379 217 H HN 0.398 nan 8.280 nan 0.000 0.501 218 A N -0.311 122.538 122.820 0.049 0.000 1.908 218 A HA -0.204 4.116 4.320 0.000 0.000 0.218 218 A C 2.754 180.327 177.584 -0.018 0.000 1.181 218 A CA 1.581 53.649 52.037 0.052 0.000 0.627 218 A CB -1.279 17.787 19.000 0.109 0.000 0.818 218 A HN 0.656 nan 8.150 nan 0.000 0.445 219 C N -1.353 117.955 119.300 0.013 0.000 2.422 219 C HA -0.048 4.412 4.460 0.000 0.000 0.279 219 C C 2.796 177.770 174.990 -0.027 0.000 1.305 219 C CA 1.174 60.240 59.018 0.081 0.000 1.757 219 C CB -1.351 26.468 27.740 0.133 0.000 1.962 219 C HN 0.730 nan 8.230 nan 0.000 0.499 220 R N -0.160 120.226 120.500 -0.190 0.000 2.073 220 R HA -0.131 4.209 4.340 0.000 0.000 0.234 220 R C 2.268 178.365 176.300 -0.338 0.000 1.134 220 R CA 1.574 57.480 56.100 -0.323 0.000 0.952 220 R CB -0.421 29.585 30.300 -0.491 0.000 0.850 220 R HN 0.606 nan 8.270 nan 0.000 0.433 221 H N 0.586 119.522 119.070 -0.223 0.000 2.326 221 H HA -0.094 4.462 4.556 0.000 0.000 0.301 221 H C 2.203 177.510 175.328 -0.034 0.000 1.081 221 H CA 1.667 57.629 56.048 -0.143 0.000 1.334 221 H CB -0.254 29.425 29.762 -0.138 0.000 1.385 221 H HN 0.244 nan 8.280 nan 0.000 0.504 222 L N -0.158 121.029 121.223 -0.060 0.000 2.083 222 L HA -0.096 4.244 4.340 0.000 0.000 0.209 222 L C 2.763 179.471 176.870 -0.269 0.000 1.083 222 L CA 1.097 55.712 54.840 -0.374 0.000 0.752 222 L CB -0.839 40.601 42.059 -1.031 0.000 0.899 222 L HN 0.304 nan 8.230 nan 0.000 0.433 223 G N -0.057 108.723 108.800 -0.033 0.000 2.422 223 G HA2 -0.252 3.708 3.960 0.000 0.000 0.218 223 G HA3 -0.252 3.708 3.960 0.000 0.000 0.218 223 G C 1.402 176.394 174.900 0.153 0.000 1.146 223 G CA 0.545 45.812 45.100 0.279 0.000 0.769 223 G HN 0.320 nan 8.290 nan 0.000 0.547 224 N N -0.002 118.679 118.700 -0.032 0.000 2.244 224 N HA -0.077 4.663 4.740 0.000 0.000 0.183 224 N C 1.823 177.248 175.510 -0.142 0.000 1.016 224 N CA 0.783 53.757 53.050 -0.126 0.000 0.866 224 N CB -0.302 38.048 38.487 -0.228 0.000 0.980 224 N HN 0.583 nan 8.380 nan 0.000 0.430 225 W N 1.577 122.830 121.300 -0.078 0.000 2.418 225 W HA 0.090 4.750 4.660 0.000 0.000 0.292 225 W C 2.484 178.978 176.519 -0.041 0.000 1.213 225 W CA 1.035 58.331 57.345 -0.082 0.000 1.283 225 W CB -0.366 29.001 29.460 -0.156 0.000 1.119 225 W HN 0.018 nan 8.180 nan 0.000 0.542 226 A N -0.137 122.807 122.820 0.207 0.000 1.908 226 A HA -0.183 4.138 4.320 0.000 0.000 0.218 226 A C 1.991 179.663 177.584 0.148 0.000 1.181 226 A CA 2.156 54.327 52.037 0.223 0.000 0.627 226 A CB -1.106 18.117 19.000 0.372 0.000 0.818 226 A HN 0.095 nan 8.150 nan 0.000 0.445 227 V N -0.337 119.651 119.914 0.122 0.000 2.270 227 V HA -0.206 3.914 4.120 0.000 0.000 0.245 227 V C 3.077 179.158 176.094 -0.023 0.000 1.043 227 V CA 1.923 64.238 62.300 0.026 0.000 1.014 227 V CB -1.197 30.645 31.823 0.033 0.000 0.645 227 V HN 0.613 nan 8.190 nan 0.000 0.447 228 A N -0.374 122.425 122.820 -0.035 0.000 1.940 228 A HA -0.156 4.164 4.320 0.000 0.000 0.219 228 A C 2.189 179.796 177.584 0.037 0.000 1.176 228 A CA 1.793 53.799 52.037 -0.051 0.000 0.631 228 A CB -0.521 18.367 19.000 -0.188 0.000 0.814 228 A HN 0.518 nan 8.150 nan 0.000 0.446 229 L N -1.165 120.120 121.223 0.103 0.000 2.156 229 L HA -0.101 4.239 4.340 0.000 0.000 0.208 229 L C 2.687 179.621 176.870 0.107 0.000 1.095 229 L CA 1.513 56.430 54.840 0.128 0.000 0.770 229 L CB -0.837 41.319 42.059 0.163 0.000 0.914 229 L HN 0.310 nan 8.230 nan 0.000 0.439 230 T N 0.117 114.725 114.554 0.090 0.000 2.788 230 T HA -0.144 4.206 4.350 0.000 0.000 0.268 230 T C 2.029 176.837 174.700 0.179 0.000 1.044 230 T CA 1.332 63.496 62.100 0.107 0.000 1.139 230 T CB -0.121 68.759 68.868 0.021 0.000 0.867 230 T HN 0.434 nan 8.240 nan 0.000 0.454 231 A N 1.144 124.034 122.820 0.116 0.000 1.898 231 A HA 0.014 4.334 4.320 0.000 0.000 0.216 231 A C 2.194 179.895 177.584 0.196 0.000 1.181 231 A CA 1.121 53.287 52.037 0.215 0.000 0.620 231 A CB -0.752 18.309 19.000 0.102 0.000 0.819 231 A HN 0.394 nan 8.150 nan 0.000 0.442 232 L N -0.755 120.543 121.223 0.125 0.000 2.141 232 L HA -0.064 4.276 4.340 0.000 0.000 0.209 232 L C 2.203 179.132 176.870 0.098 0.000 1.094 232 L CA 1.668 56.567 54.840 0.098 0.000 0.763 232 L CB -0.658 41.450 42.059 0.081 0.000 0.908 232 L HN 0.386 nan 8.230 nan 0.000 0.437 233 L N -0.211 121.080 121.223 0.114 0.000 2.042 233 L HA -0.133 4.207 4.340 0.000 0.000 0.210 233 L C 2.477 179.408 176.870 0.103 0.000 1.076 233 L CA 2.103 57.003 54.840 0.100 0.000 0.749 233 L CB -0.976 41.152 42.059 0.116 0.000 0.893 233 L HN 0.253 nan 8.230 nan 0.000 0.432 234 A N -0.858 122.056 122.820 0.156 0.000 1.933 234 A HA -0.200 4.120 4.320 0.000 0.000 0.218 234 A C 2.123 179.735 177.584 0.047 0.000 1.175 234 A CA 1.722 53.816 52.037 0.095 0.000 0.628 234 A CB -0.608 18.464 19.000 0.120 0.000 0.814 234 A HN 0.637 nan 8.150 nan 0.000 0.444 235 E N -1.041 119.201 120.200 0.071 0.000 2.268 235 E HA -0.124 4.226 4.350 0.000 0.000 0.195 235 E C 1.615 178.234 176.600 0.032 0.000 0.995 235 E CA 0.947 57.375 56.400 0.045 0.000 0.836 235 E CB -0.254 29.479 29.700 0.056 0.000 0.763 235 E HN 0.682 nan 8.360 nan 0.000 0.491 236 C N -0.010 119.311 119.300 0.034 0.000 2.634 236 C HA 0.161 4.621 4.460 0.000 0.000 0.268 236 C C 1.669 176.666 174.990 0.012 0.000 1.322 236 C CA 0.001 59.032 59.018 0.021 0.000 1.737 236 C CB -0.198 27.554 27.740 0.020 0.000 1.976 236 C HN 0.306 nan 8.230 nan 0.000 0.547 237 L N -0.025 121.206 121.223 0.013 0.000 3.202 237 L HA 0.286 4.626 4.340 0.000 0.000 0.278 237 L C 0.193 177.057 176.870 -0.009 0.000 1.268 237 L CA -0.129 54.712 54.840 0.002 0.000 1.034 237 L CB -0.306 41.758 42.059 0.008 0.000 1.407 237 L HN 0.223 nan 8.230 nan 0.000 0.581 238 R N 0.587 121.080 120.500 -0.011 0.000 3.251 238 R HA -0.161 4.179 4.340 0.000 0.000 0.249 238 R C 0.675 176.944 176.300 -0.050 0.000 0.949 238 R CA 0.443 56.529 56.100 -0.023 0.000 0.645 238 R CB -1.896 28.393 30.300 -0.018 0.000 1.065 238 R HN 0.510 nan 8.270 nan 0.000 0.452 239 G N 0.699 109.456 108.800 -0.073 0.000 2.491 239 G HA2 0.223 4.183 3.960 0.000 0.000 0.242 239 G HA3 0.223 4.183 3.960 0.000 0.000 0.242 239 G C 0.001 174.762 174.900 -0.231 0.000 1.266 239 G CA -0.645 44.366 45.100 -0.148 0.000 0.844 239 G HN 0.258 nan 8.290 nan 0.000 0.571 240 R N 0.729 121.061 120.500 -0.280 0.000 2.202 240 R HA 0.226 4.566 4.340 0.000 0.000 0.334 240 R C 1.575 177.573 176.300 -0.503 0.000 1.036 240 R CA 0.194 56.125 56.100 -0.282 0.000 0.878 240 R CB 0.864 31.056 30.300 -0.180 0.000 1.067 240 R HN 0.709 nan 8.270 nan 0.000 0.457 241 T N -1.132 113.174 114.554 -0.414 0.000 3.055 241 T HA -0.139 4.211 4.350 0.000 0.000 0.265 241 T C 1.426 175.972 174.700 -0.257 0.000 1.111 241 T CA 0.909 62.739 62.100 -0.450 0.000 1.118 241 T CB -0.040 68.714 68.868 -0.191 0.000 0.909 241 T HN 0.739 nan 8.240 nan 0.000 0.501 242 E N 1.839 121.933 120.200 -0.178 0.000 2.265 242 E HA -0.042 4.308 4.350 0.000 0.000 0.196 242 E C 2.201 178.769 176.600 -0.054 0.000 0.996 242 E CA 0.928 57.280 56.400 -0.080 0.000 0.832 242 E CB -0.553 29.115 29.700 -0.053 0.000 0.756 242 E HN 0.626 nan 8.360 nan 0.000 0.491 243 A N 0.832 123.568 122.820 -0.140 0.000 2.067 243 A HA -0.083 4.237 4.320 0.000 0.000 0.219 243 A C 0.992 178.706 177.584 0.216 0.000 1.158 243 A CA 0.654 52.674 52.037 -0.029 0.000 0.661 243 A CB -0.577 18.360 19.000 -0.105 0.000 0.801 243 A HN 0.489 nan 8.150 nan 0.000 0.452 244 W N -0.229 121.073 121.300 0.003 0.000 3.223 244 W HA 0.608 5.268 4.660 0.000 0.000 0.389 244 W C 0.781 177.303 176.519 0.005 0.000 1.118 244 W CA -1.110 56.238 57.345 0.005 0.000 1.902 244 W CB -1.368 28.098 29.460 0.010 0.000 1.094 244 W HN 0.343 nan 8.180 nan 0.000 0.666 245 A N 0.858 123.788 122.820 0.183 0.000 2.498 245 A HA 0.430 4.750 4.320 0.000 0.000 0.239 245 A C 1.680 179.317 177.584 0.089 0.000 1.068 245 A CA 0.706 52.807 52.037 0.106 0.000 0.766 245 A CB 0.588 19.623 19.000 0.058 0.000 1.003 245 A HN 0.260 nan 8.150 nan 0.000 0.497 246 A N 2.534 125.394 122.820 0.067 0.000 1.972 246 A HA 0.117 4.437 4.320 0.000 0.000 0.219 246 A C 2.360 179.966 177.584 0.036 0.000 1.169 246 A CA 2.242 54.308 52.037 0.049 0.000 0.635 246 A CB -0.934 18.089 19.000 0.037 0.000 0.810 246 A HN 1.741 nan 8.150 nan 0.000 0.446 247 A N -0.182 122.657 122.820 0.032 0.000 1.940 247 A HA -0.102 4.218 4.320 0.000 0.000 0.219 247 A C 2.147 179.744 177.584 0.022 0.000 1.176 247 A CA 1.560 53.610 52.037 0.021 0.000 0.631 247 A CB -0.572 18.438 19.000 0.017 0.000 0.814 247 A HN 0.495 nan 8.150 nan 0.000 0.446 248 L N -0.460 120.783 121.223 0.033 0.000 2.093 248 L HA -0.160 4.180 4.340 0.000 0.000 0.208 248 L C 2.850 179.737 176.870 0.029 0.000 1.085 248 L CA 1.413 56.272 54.840 0.032 0.000 0.755 248 L CB -0.405 41.683 42.059 0.049 0.000 0.904 248 L HN 0.361 nan 8.230 nan 0.000 0.435 249 S N -0.320 115.401 115.700 0.035 0.000 2.356 249 S HA -0.186 4.284 4.470 0.000 0.000 0.223 249 S C 1.506 176.111 174.600 0.009 0.000 1.032 249 S CA 1.352 59.570 58.200 0.029 0.000 1.005 249 S CB -0.316 62.905 63.200 0.035 0.000 0.867 249 S HN 0.445 nan 8.310 nan 0.000 0.449 250 D N 1.527 121.931 120.400 0.007 0.000 2.182 250 D HA -0.051 4.589 4.640 0.000 0.000 0.201 250 D C 1.747 178.036 176.300 -0.018 0.000 0.986 250 D CA 0.747 54.744 54.000 -0.006 0.000 0.847 250 D CB -0.310 40.489 40.800 -0.001 0.000 0.942 250 D HN 0.331 nan 8.370 nan 0.000 0.467 251 L N -0.592 120.623 121.223 -0.012 0.000 2.291 251 L HA -0.000 4.340 4.340 0.000 0.000 0.214 251 L C 1.566 178.414 176.870 -0.038 0.000 1.120 251 L CA 0.552 55.380 54.840 -0.020 0.000 0.799 251 L CB 0.129 42.183 42.059 -0.008 0.000 0.925 251 L HN -0.162 nan 8.230 nan 0.000 0.446 252 R N 0.740 121.215 120.500 -0.043 0.000 2.644 252 R HA 0.188 4.529 4.340 0.000 0.000 0.271 252 R C -2.248 173.980 176.300 -0.121 0.000 1.687 252 R CA -1.355 54.694 56.100 -0.085 0.000 1.655 252 R CB 0.916 31.210 30.300 -0.010 0.000 1.285 252 R HN -0.155 nan 8.270 nan 0.000 0.643 253 P HA -0.067 nan 4.420 nan 0.000 0.290 253 P C -0.705 176.515 177.300 -0.133 0.000 1.584 253 P CA 0.204 63.233 63.100 -0.118 0.000 0.813 253 P CB -0.333 31.312 31.700 -0.091 0.000 1.775 254 H N 0.879 119.950 119.070 0.003 0.000 2.767 254 H HA 0.099 4.655 4.556 0.000 0.000 0.316 254 H C -1.342 173.999 175.328 0.022 0.000 1.059 254 H CA -1.528 54.524 56.048 0.007 0.000 1.461 254 H CB 0.552 30.314 29.762 -0.000 0.000 1.475 254 H HN 0.094 nan 8.280 nan 0.000 0.531 255 P HA -0.168 nan 4.420 nan 0.000 0.215 255 P C 1.666 179.040 177.300 0.124 0.000 1.157 255 P CA 1.748 64.909 63.100 0.103 0.000 0.874 255 P CB 0.082 31.837 31.700 0.090 0.000 0.790 256 G N -0.501 108.392 108.800 0.154 0.000 2.442 256 G HA2 -0.309 3.651 3.960 0.000 0.000 0.219 256 G HA3 -0.309 3.651 3.960 0.000 0.000 0.219 256 G C 1.679 176.685 174.900 0.177 0.000 1.141 256 G CA 0.745 45.969 45.100 0.208 0.000 0.763 256 G HN 0.331 nan 8.290 nan 0.000 0.554 257 Q N 0.082 119.951 119.800 0.115 0.000 2.083 257 Q HA -0.051 4.289 4.340 0.000 0.000 0.198 257 Q C 2.472 178.511 176.000 0.064 0.000 0.969 257 Q CA 1.471 57.313 55.803 0.065 0.000 0.838 257 Q CB -0.194 28.597 28.738 0.087 0.000 0.900 257 Q HN 0.513 nan 8.270 nan 0.000 0.436 258 K N 0.168 120.614 120.400 0.076 0.000 2.057 258 K HA -0.226 4.094 4.320 0.000 0.000 0.207 258 K C 1.654 178.285 176.600 0.051 0.000 1.049 258 K CA 1.842 58.161 56.287 0.053 0.000 0.931 258 K CB -0.150 32.377 32.500 0.046 0.000 0.714 258 K HN 0.181 nan 8.250 nan 0.000 0.440 259 D N 0.023 120.468 120.400 0.076 0.000 2.097 259 D HA -0.104 4.536 4.640 0.000 0.000 0.197 259 D C 1.727 178.080 176.300 0.089 0.000 0.984 259 D CA 1.556 55.598 54.000 0.070 0.000 0.826 259 D CB -0.092 40.756 40.800 0.079 0.000 0.973 259 D HN 0.318 nan 8.370 nan 0.000 0.460 260 A N 0.591 123.505 122.820 0.158 0.000 1.883 260 A HA -0.013 4.307 4.320 0.000 0.000 0.217 260 A C 2.402 179.946 177.584 -0.067 0.000 1.186 260 A CA 2.507 54.616 52.037 0.119 0.000 0.624 260 A CB -1.176 17.831 19.000 0.011 0.000 0.822 260 A HN 0.331 nan 8.150 nan 0.000 0.444 261 A N -0.254 122.524 122.820 -0.069 0.000 1.902 261 A HA 0.165 4.485 4.320 0.000 0.000 0.217 261 A C 2.520 180.079 177.584 -0.041 0.000 1.181 261 A CA 2.147 54.128 52.037 -0.094 0.000 0.623 261 A CB -1.046 17.958 19.000 0.007 0.000 0.818 261 A HN 1.091 nan 8.150 nan 0.000 0.443 262 A N -0.245 122.572 122.820 -0.005 0.000 1.902 262 A HA -0.165 4.155 4.320 0.000 0.000 0.217 262 A C 2.241 179.817 177.584 -0.013 0.000 1.181 262 A CA 1.651 53.692 52.037 0.007 0.000 0.623 262 A CB -0.429 18.576 19.000 0.009 0.000 0.818 262 A HN 0.543 nan 8.150 nan 0.000 0.443 263 R N -0.690 119.789 120.500 -0.035 0.000 2.092 263 R HA 0.063 4.403 4.340 0.000 0.000 0.231 263 R C 2.022 178.270 176.300 -0.086 0.000 1.119 263 R CA 1.140 57.209 56.100 -0.052 0.000 0.970 263 R CB -0.400 29.872 30.300 -0.045 0.000 0.864 263 R HN 0.503 nan 8.270 nan 0.000 0.440 264 L N 0.121 121.240 121.223 -0.173 0.000 2.027 264 L HA -0.157 4.183 4.340 0.000 0.000 0.206 264 L C 2.526 179.383 176.870 -0.021 0.000 1.074 264 L CA 1.409 56.059 54.840 -0.317 0.000 0.745 264 L CB -0.324 41.167 42.059 -0.948 0.000 0.898 264 L HN 0.144 nan 8.230 nan 0.000 0.433 265 R N -0.158 120.390 120.500 0.081 0.000 2.091 265 R HA -0.163 4.177 4.340 0.000 0.000 0.238 265 R C 2.394 178.756 176.300 0.103 0.000 1.136 265 R CA 1.373 57.581 56.100 0.181 0.000 0.959 265 R CB -0.538 29.847 30.300 0.142 0.000 0.856 265 R HN 0.368 nan 8.270 nan 0.000 0.437 266 A N 1.396 124.243 122.820 0.045 0.000 1.877 266 A HA -0.165 4.155 4.320 0.000 0.000 0.216 266 A C 2.066 179.664 177.584 0.024 0.000 1.186 266 A CA 1.158 53.209 52.037 0.023 0.000 0.620 266 A CB -0.304 18.693 19.000 -0.004 0.000 0.822 266 A HN 0.114 nan 8.150 nan 0.000 0.443 267 R N -0.204 120.307 120.500 0.018 0.000 2.091 267 R HA -0.130 4.210 4.340 0.000 0.000 0.238 267 R C 1.933 178.269 176.300 0.060 0.000 1.136 267 R CA 1.786 57.898 56.100 0.020 0.000 0.959 267 R CB -1.450 28.852 30.300 0.002 0.000 0.856 267 R HN 0.690 nan 8.270 nan 0.000 0.437 268 V N -0.707 119.276 119.914 0.114 0.000 3.633 268 V HA 0.106 4.226 4.120 0.000 0.000 0.283 268 V C 0.176 176.317 176.094 0.077 0.000 1.305 268 V CA -0.555 61.816 62.300 0.119 0.000 1.153 268 V CB -0.604 31.335 31.823 0.192 0.000 0.950 268 V HN -0.078 nan 8.190 nan 0.000 0.432 269 D N 1.468 121.903 120.400 0.060 0.000 2.458 269 D HA 0.418 5.059 4.640 0.000 0.000 0.243 269 D C 1.444 177.760 176.300 0.027 0.000 1.146 269 D CA 1.867 55.890 54.000 0.038 0.000 0.877 269 D CB 0.535 41.352 40.800 0.028 0.000 1.176 269 D HN 0.566 nan 8.370 nan 0.000 0.461 270 G N 2.404 111.215 108.800 0.019 0.000 2.176 270 G HA2 -0.262 3.698 3.960 0.000 0.000 0.253 270 G HA3 -0.262 3.698 3.960 0.000 0.000 0.253 270 G C 0.466 175.376 174.900 0.016 0.000 0.979 270 G CA 0.318 45.427 45.100 0.014 0.000 0.641 270 G HN 0.759 nan 8.290 nan 0.000 0.530 271 S N 0.052 115.765 115.700 0.022 0.000 2.565 271 S HA 0.666 5.136 4.470 0.000 0.000 0.276 271 S C 1.188 175.796 174.600 0.013 0.000 1.326 271 S CA 0.828 59.041 58.200 0.022 0.000 1.045 271 S CB 1.286 64.506 63.200 0.034 0.000 0.918 271 S HN 1.592 nan 8.310 nan 0.000 0.505 272 A N 5.107 127.935 122.820 0.014 0.000 2.470 272 A HA 0.346 4.666 4.320 0.000 0.000 0.251 272 A C 1.626 179.219 177.584 0.015 0.000 1.245 272 A CA -0.349 51.696 52.037 0.013 0.000 0.932 272 A CB 0.108 19.117 19.000 0.014 0.000 1.037 272 A HN 0.710 nan 8.150 nan 0.000 0.522 273 R N -0.167 120.341 120.500 0.014 0.000 2.290 273 R HA 0.120 4.460 4.340 0.000 0.000 0.197 273 R C 0.727 177.030 176.300 0.004 0.000 0.913 273 R CA 0.880 56.987 56.100 0.013 0.000 1.040 273 R CB -0.235 30.076 30.300 0.017 0.000 0.992 273 R HN 0.494 nan 8.270 nan 0.000 0.500 274 V N -1.360 118.551 119.914 -0.004 0.000 2.973 274 V HA 0.465 4.585 4.120 0.000 0.000 0.314 274 V C 0.479 176.559 176.094 -0.024 0.000 1.066 274 V CA -0.936 61.344 62.300 -0.033 0.000 1.021 274 V CB 1.990 33.778 31.823 -0.058 0.000 1.076 274 V HN -0.264 nan 8.190 nan 0.000 0.462 275 V N 3.663 123.552 119.914 -0.041 0.000 2.364 275 V HA 0.453 4.573 4.120 0.000 0.000 0.272 275 V C 0.991 177.070 176.094 -0.025 0.000 1.036 275 V CA -0.269 62.043 62.300 0.020 0.000 0.880 275 V CB 0.718 32.552 31.823 0.017 0.000 0.991 275 V HN 0.934 nan 8.190 nan 0.000 0.460 276 R N 1.747 122.219 120.500 -0.047 0.000 2.397 276 R HA 0.206 4.546 4.340 0.000 0.000 0.241 276 R C -0.352 175.828 176.300 -0.201 0.000 0.914 276 R CA -0.227 55.781 56.100 -0.155 0.000 1.071 276 R CB 0.215 30.394 30.300 -0.202 0.000 1.116 276 R HN 0.747 nan 8.270 nan 0.000 0.524 277 H N 0.097 119.141 119.070 -0.044 0.000 2.690 277 H HA 0.119 4.675 4.556 0.000 0.000 0.314 277 H C -0.156 175.150 175.328 -0.037 0.000 1.069 277 H CA -0.327 55.701 56.048 -0.034 0.000 1.436 277 H CB 1.031 30.776 29.762 -0.028 0.000 1.462 277 H HN -0.215 nan 8.280 nan 0.000 0.511 278 V N 6.018 125.969 119.914 0.061 0.000 2.446 278 V HA -0.072 4.048 4.120 0.000 0.000 0.276 278 V C 1.927 178.046 176.094 0.042 0.000 1.030 278 V CA 0.175 62.492 62.300 0.029 0.000 1.033 278 V CB -0.501 31.330 31.823 0.013 0.000 0.993 278 V HN 0.850 nan 8.190 nan 0.000 0.477 279 I N 3.278 123.863 120.570 0.025 0.000 2.335 279 I HA -0.132 4.039 4.170 0.000 0.000 0.251 279 I C 2.075 178.198 176.117 0.011 0.000 1.129 279 I CA 1.907 63.216 61.300 0.016 0.000 1.402 279 I CB -0.270 37.732 38.000 0.003 0.000 1.069 279 I HN 0.559 nan 8.210 nan 0.000 0.424 280 A N 0.896 123.722 122.820 0.010 0.000 2.216 280 A HA -0.072 4.248 4.320 0.000 0.000 0.214 280 A C 2.109 179.698 177.584 0.010 0.000 1.160 280 A CA 0.958 53.000 52.037 0.008 0.000 0.725 280 A CB -0.499 18.505 19.000 0.006 0.000 0.784 280 A HN 0.502 nan 8.150 nan 0.000 0.472 281 E N 0.024 120.234 120.200 0.016 0.000 2.208 281 E HA -0.084 4.266 4.350 0.000 0.000 0.193 281 E C 1.100 177.709 176.600 0.014 0.000 0.988 281 E CA 0.178 56.589 56.400 0.018 0.000 0.828 281 E CB -0.177 29.541 29.700 0.031 0.000 0.763 281 E HN 0.612 nan 8.360 nan 0.000 0.478 282 R N 1.678 122.184 120.500 0.010 0.000 2.401 282 R HA 0.080 4.420 4.340 0.000 0.000 0.299 282 R C -0.362 175.937 176.300 -0.001 0.000 1.064 282 R CA 0.027 56.128 56.100 0.001 0.000 1.000 282 R CB 0.400 30.695 30.300 -0.007 0.000 0.973 282 R HN -0.132 nan 8.270 nan 0.000 0.438 283 R N 5.224 125.723 120.500 -0.002 0.000 2.255 283 R HA 0.292 4.632 4.340 0.000 0.000 0.326 283 R C -0.477 175.820 176.300 -0.005 0.000 0.986 283 R CA -0.562 55.537 56.100 -0.002 0.000 0.847 283 R CB 1.154 31.453 30.300 -0.001 0.000 1.111 283 R HN 0.463 nan 8.270 nan 0.000 0.452 284 L N 2.896 124.117 121.223 -0.005 0.000 2.375 284 L HA 0.343 4.683 4.340 0.000 0.000 0.271 284 L C 0.162 177.029 176.870 -0.005 0.000 1.107 284 L CA -0.528 54.309 54.840 -0.006 0.000 0.806 284 L CB 0.887 42.943 42.059 -0.006 0.000 1.146 284 L HN 0.671 nan 8.230 nan 0.000 0.447 285 D N 0.823 121.219 120.400 -0.006 0.000 2.585 285 D HA 0.447 5.087 4.640 0.000 0.000 0.254 285 D C 0.577 176.873 176.300 -0.005 0.000 1.067 285 D CA -0.356 53.641 54.000 -0.005 0.000 1.090 285 D CB 1.293 42.090 40.800 -0.005 0.000 1.408 285 D HN 0.419 nan 8.370 nan 0.000 0.554 286 A N -0.011 122.806 122.820 -0.005 0.000 1.958 286 A HA -0.019 4.301 4.320 0.000 0.000 0.221 286 A C 2.033 179.614 177.584 -0.005 0.000 1.178 286 A CA 2.276 54.311 52.037 -0.005 0.000 0.642 286 A CB -1.679 17.319 19.000 -0.004 0.000 0.816 286 A HN 0.714 nan 8.150 nan 0.000 0.453 287 G N -1.097 107.699 108.800 -0.006 0.000 2.559 287 G HA2 -0.108 3.852 3.960 0.000 0.000 0.216 287 G HA3 -0.108 3.852 3.960 0.000 0.000 0.216 287 G C 0.917 175.812 174.900 -0.008 0.000 1.126 287 G CA 0.996 46.092 45.100 -0.007 0.000 0.778 287 G HN 0.528 nan 8.290 nan 0.000 0.543 288 D N 0.222 120.617 120.400 -0.009 0.000 2.333 288 D HA 0.032 4.672 4.640 0.000 0.000 0.208 288 D C 0.844 177.138 176.300 -0.009 0.000 0.984 288 D CA -0.062 53.932 54.000 -0.010 0.000 0.873 288 D CB 0.495 41.289 40.800 -0.011 0.000 0.935 288 D HN 0.137 nan 8.370 nan 0.000 0.521 289 I N 1.682 122.248 120.570 -0.007 0.000 2.494 289 I HA 0.309 4.479 4.170 0.000 0.000 0.289 289 I C 1.293 177.406 176.117 -0.007 0.000 1.106 289 I CA 0.618 61.914 61.300 -0.006 0.000 1.369 289 I CB 0.066 38.063 38.000 -0.005 0.000 1.410 289 I HN -0.054 nan 8.210 nan 0.000 0.523 290 G N 5.353 114.148 108.800 -0.007 0.000 2.335 290 G HA2 0.232 4.192 3.960 0.000 0.000 0.291 290 G HA3 0.232 4.192 3.960 0.000 0.000 0.291 290 G C -1.225 173.671 174.900 -0.008 0.000 1.261 290 G CA -0.593 44.503 45.100 -0.007 0.000 0.871 290 G HN 0.341 nan 8.290 nan 0.000 0.491 291 T N 1.835 116.384 114.554 -0.008 0.000 2.749 291 T HA 0.565 4.915 4.350 0.000 0.000 0.287 291 T C -0.256 174.438 174.700 -0.011 0.000 0.970 291 T CA -0.247 61.848 62.100 -0.009 0.000 0.980 291 T CB 1.389 70.252 68.868 -0.008 0.000 0.924 291 T HN 0.431 nan 8.240 nan 0.000 0.456 292 E N 3.115 123.307 120.200 -0.012 0.000 2.250 292 E HA 0.218 4.568 4.350 0.000 0.000 0.269 292 E C -1.362 175.230 176.600 -0.014 0.000 1.018 292 E CA -2.094 54.297 56.400 -0.015 0.000 0.873 292 E CB 0.840 30.530 29.700 -0.017 0.000 1.134 292 E HN 0.323 nan 8.360 nan 0.000 0.403 293 P HA -0.165 nan 4.420 nan 0.000 0.216 293 P C -0.627 176.664 177.300 -0.016 0.000 1.153 293 P CA 1.484 64.575 63.100 -0.016 0.000 0.858 293 P CB 0.287 31.977 31.700 -0.017 0.000 0.789 294 E N -1.906 118.284 120.200 -0.017 0.000 2.367 294 E HA 0.598 4.948 4.350 0.000 0.000 0.273 294 E C -0.944 175.647 176.600 -0.014 0.000 0.903 294 E CA -1.121 55.270 56.400 -0.016 0.000 0.764 294 E CB 1.886 31.575 29.700 -0.018 0.000 1.252 294 E HN -0.087 nan 8.360 nan 0.000 0.446 295 A N 0.697 123.511 122.820 -0.011 0.000 2.429 295 A HA 0.384 4.704 4.320 0.000 0.000 0.242 295 A C 1.200 178.779 177.584 -0.008 0.000 1.088 295 A CA 0.473 52.506 52.037 -0.007 0.000 0.784 295 A CB -0.054 18.945 19.000 -0.001 0.000 1.038 295 A HN 0.798 nan 8.150 nan 0.000 0.501 296 G N -0.783 108.014 108.800 -0.005 0.000 2.920 296 G HA2 0.308 4.268 3.960 0.000 0.000 0.208 296 G HA3 0.308 4.268 3.960 0.000 0.000 0.208 296 G C 0.450 175.346 174.900 -0.007 0.000 1.159 296 G CA 0.312 45.407 45.100 -0.008 0.000 0.784 296 G HN 0.711 nan 8.290 nan 0.000 0.535 297 Q N 0.026 119.828 119.800 0.003 0.000 2.423 297 Q HA 0.310 4.650 4.340 0.000 0.000 0.278 297 Q C -1.469 174.542 176.000 0.018 0.000 1.097 297 Q CA -1.028 54.780 55.803 0.009 0.000 0.809 297 Q CB 2.055 30.814 28.738 0.034 0.000 1.391 297 Q HN 0.022 nan 8.270 nan 0.000 0.428 298 D N 0.648 121.058 120.400 0.016 0.000 2.354 298 D HA 0.377 5.017 4.640 0.000 0.000 0.247 298 D C -0.200 176.159 176.300 0.099 0.000 1.138 298 D CA -0.099 53.920 54.000 0.032 0.000 0.958 298 D CB 0.892 41.697 40.800 0.008 0.000 1.144 298 D HN 0.621 nan 8.370 nan 0.000 0.458 299 A N 0.542 123.413 122.820 0.085 0.000 2.386 299 A HA 0.006 4.326 4.320 0.000 0.000 0.246 299 A C 0.644 178.381 177.584 0.255 0.000 1.089 299 A CA -0.071 52.027 52.037 0.102 0.000 0.790 299 A CB -0.079 18.937 19.000 0.027 0.000 1.042 299 A HN 0.540 nan 8.150 nan 0.000 0.497 300 Y N 0.949 121.267 120.300 0.029 0.000 2.207 300 Y HA -0.208 4.342 4.550 0.000 0.000 0.287 300 Y C 2.946 178.881 175.900 0.058 0.000 1.156 300 Y CA 1.635 59.759 58.100 0.040 0.000 1.182 300 Y CB -1.370 37.105 38.460 0.025 0.000 0.979 300 Y HN 0.749 nan 8.280 nan 0.000 0.521 301 S N -0.957 114.872 115.700 0.214 0.000 2.493 301 S HA -0.130 4.340 4.470 0.000 0.000 0.243 301 S C 1.784 176.488 174.600 0.174 0.000 0.991 301 S CA 1.217 59.508 58.200 0.152 0.000 0.957 301 S CB -0.584 62.681 63.200 0.107 0.000 0.756 301 S HN 0.467 nan 8.310 nan 0.000 0.521 302 L N -0.364 120.982 121.223 0.204 0.000 2.614 302 L HA 0.353 4.693 4.340 0.000 0.000 0.185 302 L C 2.737 179.819 176.870 0.353 0.000 1.098 302 L CA 0.234 55.242 54.840 0.279 0.000 0.852 302 L CB -0.239 41.924 42.059 0.173 0.000 1.213 302 L HN 0.164 nan 8.230 nan 0.000 0.491 303 R N -0.020 120.608 120.500 0.213 0.000 2.105 303 R HA -0.153 4.187 4.340 0.000 0.000 0.239 303 R C 1.594 177.994 176.300 0.166 0.000 1.135 303 R CA 1.901 58.100 56.100 0.165 0.000 0.967 303 R CB -0.227 30.130 30.300 0.095 0.000 0.861 303 R HN 0.404 nan 8.270 nan 0.000 0.442 304 C N 0.345 119.699 119.300 0.090 0.000 2.693 304 C HA 0.430 4.890 4.460 0.000 0.000 0.286 304 C C 2.184 177.185 174.990 0.019 0.000 1.277 304 C CA -0.368 58.643 59.018 -0.012 0.000 1.705 304 C CB -0.482 27.153 27.740 -0.176 0.000 1.879 304 C HN 0.628 nan 8.230 nan 0.000 0.607 305 A N 2.718 125.595 122.820 0.095 0.000 1.908 305 A HA -0.122 4.198 4.320 0.000 0.000 0.218 305 A C 0.048 177.552 177.584 -0.133 0.000 1.181 305 A CA 1.861 53.889 52.037 -0.015 0.000 0.627 305 A CB -1.603 17.390 19.000 -0.012 0.000 0.818 305 A HN 0.420 nan 8.150 nan 0.000 0.445 306 P HA -0.153 nan 4.420 nan 0.000 0.215 306 P C 1.255 178.485 177.300 -0.117 0.000 1.153 306 P CA 1.517 64.528 63.100 -0.149 0.000 0.853 306 P CB -0.050 31.609 31.700 -0.069 0.000 0.788 307 Q N -1.030 118.720 119.800 -0.083 0.000 2.083 307 Q HA -0.066 4.274 4.340 0.000 0.000 0.198 307 Q C 2.130 178.047 176.000 -0.138 0.000 0.969 307 Q CA 1.155 56.904 55.803 -0.090 0.000 0.838 307 Q CB -1.340 27.353 28.738 -0.075 0.000 0.900 307 Q HN 0.095 nan 8.270 nan 0.000 0.436 308 V N 0.307 120.136 119.914 -0.142 0.000 2.283 308 V HA -0.196 3.924 4.120 0.000 0.000 0.243 308 V C 2.083 178.021 176.094 -0.260 0.000 1.039 308 V CA 1.426 63.629 62.300 -0.162 0.000 1.016 308 V CB -0.597 31.159 31.823 -0.113 0.000 0.650 308 V HN 0.298 nan 8.190 nan 0.000 0.449 309 L N 0.555 121.575 121.223 -0.337 0.000 2.042 309 L HA -0.114 4.226 4.340 0.000 0.000 0.210 309 L C 2.691 179.042 176.870 -0.864 0.000 1.076 309 L CA 1.848 56.293 54.840 -0.659 0.000 0.749 309 L CB -1.315 40.343 42.059 -0.669 0.000 0.893 309 L HN 0.488 nan 8.230 nan 0.000 0.432 310 G N -0.234 108.283 108.800 -0.473 0.000 2.476 310 G HA2 -0.296 3.664 3.960 0.000 0.000 0.218 310 G HA3 -0.296 3.664 3.960 0.000 0.000 0.218 310 G C 1.758 176.559 174.900 -0.165 0.000 1.164 310 G CA 0.925 45.883 45.100 -0.236 0.000 0.768 310 G HN 0.487 nan 8.290 nan 0.000 0.560 311 A N 0.681 123.379 122.820 -0.203 0.000 1.972 311 A HA 0.190 4.510 4.320 0.000 0.000 0.219 311 A C 2.674 180.191 177.584 -0.113 0.000 1.169 311 A CA 2.015 53.951 52.037 -0.169 0.000 0.635 311 A CB -0.883 18.007 19.000 -0.184 0.000 0.810 311 A HN 0.532 nan 8.150 nan 0.000 0.446 312 G N -1.180 107.513 108.800 -0.179 0.000 2.408 312 G HA2 -0.082 3.878 3.960 0.000 0.000 0.217 312 G HA3 -0.082 3.878 3.960 0.000 0.000 0.217 312 G C 1.256 176.226 174.900 0.117 0.000 1.150 312 G CA 0.951 45.990 45.100 -0.102 0.000 0.776 312 G HN 0.383 nan 8.290 nan 0.000 0.542 313 F N 1.675 121.630 119.950 0.010 0.000 2.234 313 F HA 0.060 4.587 4.527 0.000 0.000 0.299 313 F C 2.245 178.072 175.800 0.044 0.000 1.087 313 F CA 0.267 58.285 58.000 0.030 0.000 1.340 313 F CB -0.509 38.502 39.000 0.018 0.000 1.031 313 F HN 0.112 nan 8.300 nan 0.000 0.500 314 D N -0.642 119.886 120.400 0.213 0.000 2.183 314 D HA -0.091 4.549 4.640 0.000 0.000 0.203 314 D C 2.211 178.621 176.300 0.184 0.000 0.969 314 D CA 1.316 55.409 54.000 0.155 0.000 0.842 314 D CB -0.316 40.525 40.800 0.068 0.000 0.957 314 D HN 0.188 nan 8.370 nan 0.000 0.484 315 T N 1.252 115.906 114.554 0.166 0.000 2.737 315 T HA -0.115 4.235 4.350 0.000 0.000 0.265 315 T C 1.911 176.780 174.700 0.281 0.000 1.038 315 T CA 0.386 62.624 62.100 0.231 0.000 1.144 315 T CB -0.237 68.718 68.868 0.145 0.000 0.866 315 T HN 0.035 nan 8.240 nan 0.000 0.434 316 L N 1.556 122.904 121.223 0.208 0.000 2.083 316 L HA 0.053 4.393 4.340 0.000 0.000 0.209 316 L C 2.564 179.557 176.870 0.204 0.000 1.083 316 L CA 1.796 56.735 54.840 0.166 0.000 0.752 316 L CB -1.034 41.112 42.059 0.144 0.000 0.899 316 L HN 0.224 nan 8.230 nan 0.000 0.433 317 A N -1.214 121.729 122.820 0.205 0.000 1.902 317 A HA -0.281 4.039 4.320 0.000 0.000 0.217 317 A C 2.131 179.859 177.584 0.239 0.000 1.181 317 A CA 1.752 53.899 52.037 0.183 0.000 0.623 317 A CB -1.467 17.631 19.000 0.164 0.000 0.818 317 A HN 0.737 nan 8.150 nan 0.000 0.443 318 W N 0.438 121.798 121.300 0.101 0.000 2.355 318 W HA -0.196 4.464 4.660 0.000 0.000 0.309 318 W C 2.253 178.840 176.519 0.112 0.000 1.206 318 W CA 1.930 59.329 57.345 0.090 0.000 1.284 318 W CB -0.736 28.771 29.460 0.078 0.000 1.145 318 W HN 0.635 nan 8.180 nan 0.000 0.502 319 H N 0.065 119.082 119.070 -0.088 0.000 2.352 319 H HA -0.161 4.395 4.556 0.000 0.000 0.299 319 H C 1.323 176.543 175.328 -0.180 0.000 1.097 319 H CA 2.331 58.219 56.048 -0.266 0.000 1.311 319 H CB -0.503 29.210 29.762 -0.081 0.000 1.377 319 H HN 0.067 nan 8.280 nan 0.000 0.504 320 D N 0.232 120.687 120.400 0.090 0.000 2.183 320 D HA -0.058 4.582 4.640 0.000 0.000 0.203 320 D C 2.581 178.855 176.300 -0.043 0.000 0.969 320 D CA 0.496 54.521 54.000 0.041 0.000 0.842 320 D CB -0.168 40.698 40.800 0.110 0.000 0.957 320 D HN 0.380 nan 8.370 nan 0.000 0.484 321 R N 0.269 120.753 120.500 -0.028 0.000 2.073 321 R HA -0.054 4.286 4.340 0.000 0.000 0.234 321 R C 2.282 178.531 176.300 -0.085 0.000 1.134 321 R CA 0.755 56.848 56.100 -0.012 0.000 0.952 321 R CB -0.373 29.967 30.300 0.067 0.000 0.850 321 R HN 0.102 nan 8.270 nan 0.000 0.433 322 V N 1.278 121.062 119.914 -0.217 0.000 2.427 322 V HA -0.199 3.921 4.120 0.000 0.000 0.248 322 V C 2.174 178.128 176.094 -0.234 0.000 1.051 322 V CA 1.240 63.392 62.300 -0.247 0.000 1.048 322 V CB -0.391 31.171 31.823 -0.435 0.000 0.666 322 V HN 0.219 nan 8.190 nan 0.000 0.456 323 L N 0.067 121.112 121.223 -0.297 0.000 2.093 323 L HA -0.124 4.216 4.340 0.000 0.000 0.208 323 L C 2.445 179.234 176.870 -0.134 0.000 1.085 323 L CA 2.295 56.988 54.840 -0.246 0.000 0.755 323 L CB -0.975 40.898 42.059 -0.309 0.000 0.904 323 L HN 0.328 nan 8.230 nan 0.000 0.435 324 T N -0.080 114.420 114.554 -0.090 0.000 2.720 324 T HA -0.173 4.177 4.350 0.000 0.000 0.268 324 T C 1.970 176.656 174.700 -0.023 0.000 1.037 324 T CA 2.035 64.116 62.100 -0.032 0.000 1.144 324 T CB -0.295 68.597 68.868 0.039 0.000 0.864 324 T HN 0.319 nan 8.240 nan 0.000 0.444 325 I N 0.639 121.184 120.570 -0.042 0.000 2.202 325 I HA -0.143 4.027 4.170 0.000 0.000 0.242 325 I C 2.739 178.806 176.117 -0.083 0.000 1.091 325 I CA 1.290 62.560 61.300 -0.049 0.000 1.368 325 I CB -0.335 37.615 38.000 -0.083 0.000 1.058 325 I HN 0.208 nan 8.210 nan 0.000 0.410 326 E N 1.351 121.482 120.200 -0.116 0.000 2.058 326 E HA -0.262 4.088 4.350 0.000 0.000 0.194 326 E C 2.034 178.584 176.600 -0.084 0.000 0.997 326 E CA 1.349 57.681 56.400 -0.114 0.000 0.801 326 E CB -0.309 29.319 29.700 -0.119 0.000 0.746 326 E HN 0.289 nan 8.360 nan 0.000 0.450 327 L N 1.054 122.227 121.223 -0.084 0.000 2.042 327 L HA -0.122 4.218 4.340 0.000 0.000 0.210 327 L C 1.211 178.033 176.870 -0.081 0.000 1.076 327 L CA 1.873 56.664 54.840 -0.081 0.000 0.749 327 L CB -0.477 41.527 42.059 -0.092 0.000 0.893 327 L HN 0.167 nan 8.230 nan 0.000 0.432 328 N N -0.161 118.493 118.700 -0.077 0.000 2.314 328 N HA 0.189 4.929 4.740 0.000 0.000 0.200 328 N C 0.296 175.789 175.510 -0.029 0.000 1.135 328 N CA 0.616 53.632 53.050 -0.056 0.000 0.835 328 N CB 0.234 38.707 38.487 -0.023 0.000 0.989 328 N HN 0.414 nan 8.380 nan 0.000 0.478 329 A N 0.229 123.023 122.820 -0.044 0.000 2.248 329 A HA 0.585 4.905 4.320 0.000 0.000 0.316 329 A C -0.003 177.557 177.584 -0.040 0.000 1.101 329 A CA -0.400 51.609 52.037 -0.046 0.000 0.875 329 A CB 1.059 20.016 19.000 -0.071 0.000 1.207 329 A HN -0.033 nan 8.150 nan 0.000 0.504 330 V N 1.354 121.243 119.914 -0.041 0.000 2.294 330 V HA 0.280 4.400 4.120 0.000 0.000 0.272 330 V C 0.838 176.907 176.094 -0.043 0.000 1.027 330 V CA 0.373 62.653 62.300 -0.033 0.000 0.823 330 V CB 0.578 32.382 31.823 -0.031 0.000 1.030 330 V HN 1.024 nan 8.190 nan 0.000 0.457 331 T N -0.744 113.795 114.554 -0.026 0.000 3.206 331 T HA 0.202 4.552 4.350 0.000 0.000 0.253 331 T C 0.162 174.879 174.700 0.029 0.000 1.042 331 T CA -0.543 61.548 62.100 -0.014 0.000 0.931 331 T CB -0.372 68.500 68.868 0.006 0.000 1.029 331 T HN 0.523 nan 8.240 nan 0.000 0.564 332 D N 2.427 122.834 120.400 0.011 0.000 2.358 332 D HA 0.513 5.153 4.640 0.000 0.000 0.244 332 D C -0.074 176.238 176.300 0.020 0.000 1.163 332 D CA -0.018 54.003 54.000 0.035 0.000 0.945 332 D CB 0.508 41.309 40.800 0.003 0.000 1.152 332 D HN 0.340 nan 8.370 nan 0.000 0.451 333 N N -0.014 118.734 118.700 0.079 0.000 2.537 333 N HA 0.266 5.006 4.740 0.000 0.000 0.281 333 N C -2.924 172.631 175.510 0.075 0.000 1.097 333 N CA -1.260 51.816 53.050 0.042 0.000 0.964 333 N CB 1.801 40.430 38.487 0.236 0.000 1.588 333 N HN 0.022 nan 8.380 nan 0.000 0.511 334 P HA 0.306 nan 4.420 nan 0.000 0.279 334 P C -0.893 176.087 177.300 -0.533 0.000 1.282 334 P CA -0.419 62.414 63.100 -0.444 0.000 0.788 334 P CB 0.865 32.121 31.700 -0.740 0.000 1.139 335 V N -3.808 115.707 119.914 -0.665 0.000 2.962 335 V HA 0.610 4.730 4.120 0.000 0.000 0.313 335 V C -1.006 174.619 176.094 -0.782 0.000 1.099 335 V CA -0.931 61.004 62.300 -0.609 0.000 0.971 335 V CB 1.626 33.286 31.823 -0.272 0.000 1.028 335 V HN 0.216 nan 8.190 nan 0.000 0.430 336 F N 2.338 122.273 119.950 -0.025 0.000 2.311 336 F HA 0.604 5.131 4.527 0.000 0.000 0.371 336 F C -2.366 173.429 175.800 -0.009 0.000 1.083 336 F CA -2.604 55.389 58.000 -0.012 0.000 1.113 336 F CB 1.163 40.162 39.000 -0.001 0.000 1.349 336 F HN 0.293 nan 8.300 nan 0.000 0.470 337 P HA -0.028 nan 4.420 nan 0.000 0.258 337 P C -1.968 175.376 177.300 0.073 0.000 1.172 337 P CA -0.538 62.594 63.100 0.054 0.000 0.762 337 P CB 0.437 32.157 31.700 0.034 0.000 0.764 338 P HA -0.189 nan 4.420 nan 0.000 0.218 338 P C 0.826 178.148 177.300 0.035 0.000 1.148 338 P CA 1.371 64.499 63.100 0.047 0.000 0.822 338 P CB -0.131 31.589 31.700 0.033 0.000 0.784 339 D N -1.706 118.711 120.400 0.029 0.000 2.348 339 D HA -0.003 4.637 4.640 0.000 0.000 0.216 339 D C 1.474 177.791 176.300 0.028 0.000 0.970 339 D CA 1.033 55.047 54.000 0.023 0.000 0.889 339 D CB -1.221 39.590 40.800 0.017 0.000 0.912 339 D HN 0.193 nan 8.370 nan 0.000 0.524 340 G N -0.082 108.741 108.800 0.039 0.000 2.162 340 G HA2 -0.390 3.570 3.960 0.000 0.000 0.260 340 G HA3 -0.390 3.570 3.960 0.000 0.000 0.260 340 G C 1.290 176.213 174.900 0.039 0.000 0.976 340 G CA 1.157 46.283 45.100 0.043 0.000 0.655 340 G HN 0.664 nan 8.290 nan 0.000 0.533 341 S N -1.218 114.502 115.700 0.033 0.000 2.365 341 S HA 0.102 4.572 4.470 0.000 0.000 0.225 341 S C 1.263 175.884 174.600 0.035 0.000 1.039 341 S CA 2.156 60.373 58.200 0.028 0.000 1.033 341 S CB -0.607 62.605 63.200 0.020 0.000 0.887 341 S HN 2.070 nan 8.310 nan 0.000 0.447 342 V N -3.399 116.542 119.914 0.044 0.000 2.962 342 V HA 0.567 4.687 4.120 0.000 0.000 0.313 342 V C -2.402 173.743 176.094 0.085 0.000 1.099 342 V CA -2.227 60.107 62.300 0.056 0.000 0.971 342 V CB 1.237 33.088 31.823 0.047 0.000 1.028 342 V HN -0.093 nan 8.190 nan 0.000 0.430 343 P HA 0.130 nan 4.420 nan 0.000 0.216 343 P C 0.310 177.751 177.300 0.235 0.000 1.153 343 P CA 2.391 65.584 63.100 0.155 0.000 0.858 343 P CB 0.152 31.940 31.700 0.146 0.000 0.789 344 A N -2.299 120.611 122.820 0.151 0.000 2.597 344 A HA 0.613 4.933 4.320 0.000 0.000 0.292 344 A C -1.876 175.687 177.584 -0.034 0.000 1.057 344 A CA -0.577 51.473 52.037 0.021 0.000 0.674 344 A CB 0.366 19.364 19.000 -0.003 0.000 1.278 344 A HN -0.051 nan 8.150 nan 0.000 0.416 345 L N 1.145 122.257 121.223 -0.185 0.000 2.346 345 L HA 0.612 4.952 4.340 0.000 0.000 0.274 345 L C -0.959 175.756 176.870 -0.259 0.000 1.007 345 L CA -0.694 54.076 54.840 -0.116 0.000 0.818 345 L CB 2.108 44.103 42.059 -0.107 0.000 1.284 345 L HN 0.837 nan 8.230 nan 0.000 0.424 346 H N 1.086 120.091 119.070 -0.108 0.000 2.539 346 H HA 0.737 5.293 4.556 0.000 0.000 0.332 346 H C 0.161 175.417 175.328 -0.120 0.000 1.031 346 H CA -0.114 55.868 56.048 -0.110 0.000 1.206 346 H CB 1.940 31.640 29.762 -0.102 0.000 1.446 346 H HN 0.739 nan 8.280 nan 0.000 0.496 347 G N 0.740 109.492 108.800 -0.080 0.000 2.793 347 G HA2 0.450 4.410 3.960 0.000 0.000 0.248 347 G HA3 0.450 4.410 3.960 0.000 0.000 0.248 347 G C -0.288 174.412 174.900 -0.333 0.000 1.198 347 G CA -0.279 44.729 45.100 -0.154 0.000 0.865 347 G HN 0.669 nan 8.290 nan 0.000 0.534 348 G N 0.042 108.536 108.800 -0.511 0.000 4.803 348 G HA2 0.287 4.247 3.960 0.000 0.000 0.266 348 G HA3 0.287 4.247 3.960 0.000 0.000 0.266 348 G C 0.180 174.503 174.900 -0.962 0.000 1.111 348 G CA -0.145 44.284 45.100 -1.118 0.000 0.874 348 G HN 0.259 nan 8.290 nan 0.000 0.555 349 N N 0.890 119.215 118.700 -0.625 0.000 2.609 349 N HA -0.028 4.712 4.740 0.000 0.000 0.190 349 N C 1.420 176.793 175.510 -0.228 0.000 1.157 349 N CA 0.287 53.140 53.050 -0.329 0.000 0.918 349 N CB -0.123 38.248 38.487 -0.195 0.000 0.978 349 N HN 0.620 nan 8.380 nan 0.000 0.448 350 F N -1.285 118.648 119.950 -0.029 0.000 2.765 350 F HA 0.352 4.879 4.527 0.000 0.000 0.302 350 F C 0.774 176.571 175.800 -0.005 0.000 1.111 350 F CA -0.887 57.101 58.000 -0.019 0.000 1.359 350 F CB -0.751 38.238 39.000 -0.018 0.000 1.097 350 F HN -0.170 nan 8.300 nan 0.000 0.577 351 M N 2.746 122.419 119.600 0.122 0.000 2.429 351 M HA 0.376 4.856 4.480 0.000 0.000 0.334 351 M C 0.986 177.356 176.300 0.116 0.000 1.560 351 M CA -0.565 54.839 55.300 0.175 0.000 1.291 351 M CB 0.053 32.678 32.600 0.043 0.000 1.754 351 M HN 0.241 nan 8.290 nan 0.000 0.456 352 G N 3.387 112.263 108.800 0.126 0.000 3.397 352 G HA2 0.009 3.969 3.960 0.000 0.000 0.248 352 G HA3 0.009 3.969 3.960 0.000 0.000 0.248 352 G C 0.697 175.643 174.900 0.076 0.000 1.284 352 G CA -0.163 44.990 45.100 0.090 0.000 1.570 352 G HN 0.812 nan 8.290 nan 0.000 0.587 353 Q N 0.027 119.875 119.800 0.079 0.000 2.167 353 Q HA -0.099 4.241 4.340 0.000 0.000 0.202 353 Q C 1.956 177.938 176.000 -0.029 0.000 0.970 353 Q CA 1.478 57.293 55.803 0.021 0.000 0.855 353 Q CB -0.127 28.604 28.738 -0.012 0.000 0.911 353 Q HN 0.716 nan 8.270 nan 0.000 0.438 354 H N -1.682 117.370 119.070 -0.030 0.000 2.321 354 H HA -0.065 4.491 4.556 0.000 0.000 0.300 354 H C 1.798 177.049 175.328 -0.130 0.000 1.087 354 H CA 1.745 57.747 56.048 -0.076 0.000 1.319 354 H CB -0.033 29.673 29.762 -0.094 0.000 1.379 354 H HN 0.072 nan 8.280 nan 0.000 0.501 355 V N 0.426 120.350 119.914 0.016 0.000 2.548 355 V HA -0.192 3.928 4.120 0.000 0.000 0.249 355 V C 2.447 178.528 176.094 -0.021 0.000 1.055 355 V CA 1.315 63.584 62.300 -0.051 0.000 1.065 355 V CB -0.833 30.972 31.823 -0.031 0.000 0.681 355 V HN 0.565 nan 8.190 nan 0.000 0.462 356 A N 0.088 122.911 122.820 0.004 0.000 1.858 356 A HA -0.146 4.174 4.320 0.000 0.000 0.216 356 A C 2.180 179.776 177.584 0.020 0.000 1.190 356 A CA 1.738 53.787 52.037 0.020 0.000 0.617 356 A CB -0.516 18.500 19.000 0.025 0.000 0.827 356 A HN 0.480 nan 8.150 nan 0.000 0.443 357 L N -0.043 121.181 121.223 0.002 0.000 2.093 357 L HA -0.145 4.195 4.340 0.000 0.000 0.208 357 L C 2.938 179.845 176.870 0.060 0.000 1.085 357 L CA 1.766 56.635 54.840 0.047 0.000 0.755 357 L CB -0.921 41.180 42.059 0.070 0.000 0.904 357 L HN 0.659 nan 8.230 nan 0.000 0.435 358 T N -4.614 109.877 114.554 -0.105 0.000 2.904 358 T HA -0.079 4.271 4.350 0.000 0.000 0.267 358 T C 2.021 176.794 174.700 0.122 0.000 1.059 358 T CA 1.177 63.163 62.100 -0.189 0.000 1.137 358 T CB -0.204 68.347 68.868 -0.527 0.000 0.879 358 T HN 0.123 nan 8.240 nan 0.000 0.467 359 S N 1.666 117.434 115.700 0.113 0.000 2.368 359 S HA -0.088 4.382 4.470 0.000 0.000 0.224 359 S C 1.834 176.495 174.600 0.101 0.000 1.029 359 S CA 1.150 59.440 58.200 0.149 0.000 0.988 359 S CB -0.496 62.769 63.200 0.108 0.000 0.838 359 S HN 0.507 nan 8.310 nan 0.000 0.462 360 D N 1.675 122.129 120.400 0.089 0.000 2.117 360 D HA 0.021 4.661 4.640 0.000 0.000 0.198 360 D C 2.122 178.475 176.300 0.089 0.000 0.982 360 D CA 1.169 55.215 54.000 0.077 0.000 0.828 360 D CB -0.408 40.432 40.800 0.068 0.000 0.967 360 D HN 0.371 nan 8.370 nan 0.000 0.464 361 A N 0.686 123.594 122.820 0.146 0.000 1.898 361 A HA -0.125 4.195 4.320 0.000 0.000 0.216 361 A C 2.146 179.803 177.584 0.122 0.000 1.181 361 A CA 0.920 53.065 52.037 0.180 0.000 0.620 361 A CB -0.671 18.564 19.000 0.391 0.000 0.819 361 A HN 0.241 nan 8.150 nan 0.000 0.442 362 L N -0.193 121.096 121.223 0.109 0.000 2.046 362 L HA -0.031 4.309 4.340 0.000 0.000 0.208 362 L C 2.647 179.506 176.870 -0.019 0.000 1.077 362 L CA 2.088 56.937 54.840 0.016 0.000 0.747 362 L CB -0.809 41.182 42.059 -0.113 0.000 0.896 362 L HN 0.341 nan 8.230 nan 0.000 0.432 363 A N -1.502 121.321 122.820 0.005 0.000 1.908 363 A HA -0.229 4.091 4.320 0.000 0.000 0.218 363 A C 2.277 179.838 177.584 -0.038 0.000 1.181 363 A CA 2.413 54.445 52.037 -0.008 0.000 0.627 363 A CB -1.254 17.757 19.000 0.020 0.000 0.818 363 A HN 0.510 nan 8.150 nan 0.000 0.445 364 T N 0.217 114.758 114.554 -0.021 0.000 2.746 364 T HA -0.022 4.328 4.350 0.000 0.000 0.267 364 T C 2.237 176.883 174.700 -0.090 0.000 1.039 364 T CA 1.633 63.708 62.100 -0.041 0.000 1.142 364 T CB -0.483 68.376 68.868 -0.015 0.000 0.866 364 T HN 0.617 nan 8.240 nan 0.000 0.444 365 A N 0.975 123.744 122.820 -0.086 0.000 1.908 365 A HA -0.074 4.246 4.320 0.000 0.000 0.218 365 A C 2.589 180.004 177.584 -0.283 0.000 1.181 365 A CA 1.479 53.431 52.037 -0.141 0.000 0.627 365 A CB -1.081 17.871 19.000 -0.081 0.000 0.818 365 A HN 0.354 nan 8.150 nan 0.000 0.445 366 V N -0.293 119.441 119.914 -0.300 0.000 2.343 366 V HA -0.231 3.889 4.120 0.000 0.000 0.247 366 V C 2.736 178.505 176.094 -0.541 0.000 1.051 366 V CA 2.474 64.447 62.300 -0.545 0.000 1.036 366 V CB -1.213 30.460 31.823 -0.250 0.000 0.654 366 V HN 0.617 nan 8.190 nan 0.000 0.451 367 T N -0.176 114.208 114.554 -0.283 0.000 2.788 367 T HA -0.148 4.202 4.350 0.000 0.000 0.268 367 T C 1.926 176.491 174.700 -0.226 0.000 1.044 367 T CA 1.552 63.528 62.100 -0.206 0.000 1.139 367 T CB -0.154 68.650 68.868 -0.107 0.000 0.867 367 T HN 0.290 nan 8.240 nan 0.000 0.454 368 V N 1.128 120.903 119.914 -0.230 0.000 2.307 368 V HA -0.087 4.033 4.120 0.000 0.000 0.245 368 V C 2.385 178.330 176.094 -0.247 0.000 1.045 368 V CA 1.291 63.475 62.300 -0.194 0.000 1.024 368 V CB -0.551 31.175 31.823 -0.163 0.000 0.651 368 V HN 0.319 nan 8.190 nan 0.000 0.449 369 L N 0.388 121.366 121.223 -0.408 0.000 2.141 369 L HA -0.051 4.289 4.340 0.000 0.000 0.209 369 L C 2.542 179.190 176.870 -0.370 0.000 1.094 369 L CA 2.053 56.639 54.840 -0.423 0.000 0.763 369 L CB -1.126 40.547 42.059 -0.642 0.000 0.908 369 L HN 0.287 nan 8.230 nan 0.000 0.437 370 A N -0.608 121.865 122.820 -0.579 0.000 1.969 370 A HA -0.048 4.272 4.320 0.000 0.000 0.218 370 A C 2.421 179.975 177.584 -0.051 0.000 1.169 370 A CA 1.446 53.340 52.037 -0.239 0.000 0.635 370 A CB -1.191 17.685 19.000 -0.206 0.000 0.810 370 A HN 0.420 nan 8.150 nan 0.000 0.445 371 G N -0.080 108.663 108.800 -0.095 0.000 2.408 371 G HA2 -0.117 3.843 3.960 0.000 0.000 0.217 371 G HA3 -0.117 3.843 3.960 0.000 0.000 0.217 371 G C 1.467 176.365 174.900 -0.004 0.000 1.150 371 G CA 1.164 46.242 45.100 -0.037 0.000 0.776 371 G HN 0.501 nan 8.290 nan 0.000 0.542 372 L N 1.480 122.695 121.223 -0.013 0.000 2.017 372 L HA 0.142 4.482 4.340 0.000 0.000 0.208 372 L C 3.012 179.921 176.870 0.066 0.000 1.073 372 L CA 2.322 57.177 54.840 0.024 0.000 0.745 372 L CB -0.862 41.203 42.059 0.010 0.000 0.894 372 L HN 0.216 nan 8.230 nan 0.000 0.432 373 A N -0.829 122.053 122.820 0.104 0.000 1.902 373 A HA -0.234 4.086 4.320 0.000 0.000 0.217 373 A C 2.325 179.966 177.584 0.095 0.000 1.181 373 A CA 1.737 53.857 52.037 0.138 0.000 0.623 373 A CB -0.808 18.336 19.000 0.241 0.000 0.818 373 A HN 0.603 nan 8.150 nan 0.000 0.443 374 E N -0.004 120.244 120.200 0.081 0.000 2.077 374 E HA -0.210 4.140 4.350 0.000 0.000 0.193 374 E C 2.092 178.724 176.600 0.053 0.000 0.989 374 E CA 0.985 57.422 56.400 0.062 0.000 0.800 374 E CB -0.229 29.501 29.700 0.050 0.000 0.746 374 E HN 0.381 nan 8.360 nan 0.000 0.452 375 R N 0.336 120.865 120.500 0.048 0.000 2.115 375 R HA -0.052 4.288 4.340 0.000 0.000 0.230 375 R C 2.381 178.709 176.300 0.047 0.000 1.111 375 R CA 0.858 56.984 56.100 0.043 0.000 0.976 375 R CB -0.406 29.917 30.300 0.039 0.000 0.870 375 R HN 0.413 nan 8.270 nan 0.000 0.445 376 Q N 0.021 119.855 119.800 0.056 0.000 2.119 376 Q HA -0.044 4.296 4.340 0.000 0.000 0.201 376 Q C 2.193 178.216 176.000 0.039 0.000 0.972 376 Q CA 1.109 56.946 55.803 0.056 0.000 0.847 376 Q CB -0.092 28.690 28.738 0.072 0.000 0.903 376 Q HN 0.308 nan 8.270 nan 0.000 0.433 377 I N 0.682 121.275 120.570 0.038 0.000 2.179 377 I HA -0.271 3.900 4.170 0.000 0.000 0.242 377 I C 2.454 178.597 176.117 0.043 0.000 1.088 377 I CA 0.967 62.283 61.300 0.027 0.000 1.357 377 I CB -0.456 37.564 38.000 0.033 0.000 1.051 377 I HN 0.150 nan 8.210 nan 0.000 0.409 378 A N 0.754 123.606 122.820 0.053 0.000 1.940 378 A HA -0.272 4.049 4.320 0.000 0.000 0.219 378 A C 2.433 180.037 177.584 0.033 0.000 1.176 378 A CA 2.091 54.164 52.037 0.061 0.000 0.631 378 A CB -0.671 18.362 19.000 0.054 0.000 0.814 378 A HN 0.414 nan 8.150 nan 0.000 0.446 379 R N -0.989 119.523 120.500 0.021 0.000 2.055 379 R HA -0.019 4.321 4.340 0.000 0.000 0.226 379 R C 2.065 178.357 176.300 -0.012 0.000 1.135 379 R CA 1.373 57.475 56.100 0.004 0.000 0.959 379 R CB -0.441 29.868 30.300 0.015 0.000 0.854 379 R HN 0.390 nan 8.270 nan 0.000 0.431 380 L N 1.306 122.526 121.223 -0.005 0.000 2.079 380 L HA -0.130 4.210 4.340 0.000 0.000 0.210 380 L C 2.012 178.859 176.870 -0.039 0.000 1.081 380 L CA 2.501 57.330 54.840 -0.018 0.000 0.752 380 L CB -0.550 41.498 42.059 -0.018 0.000 0.896 380 L HN 0.472 nan 8.230 nan 0.000 0.433 381 T N -4.205 110.330 114.554 -0.031 0.000 3.100 381 T HA 0.011 4.361 4.350 0.000 0.000 0.253 381 T C 0.754 175.265 174.700 -0.315 0.000 1.118 381 T CA -0.029 62.031 62.100 -0.067 0.000 1.058 381 T CB -0.483 68.473 68.868 0.146 0.000 0.953 381 T HN 0.273 nan 8.240 nan 0.000 0.515 382 D N 2.564 122.838 120.400 -0.209 0.000 2.347 382 D HA 0.078 4.719 4.640 0.000 0.000 0.235 382 D C 1.323 177.506 176.300 -0.195 0.000 1.149 382 D CA -0.317 53.536 54.000 -0.245 0.000 0.850 382 D CB 1.252 41.988 40.800 -0.106 0.000 1.061 382 D HN 0.615 nan 8.370 nan 0.000 0.487 383 E N 3.311 123.365 120.200 -0.242 0.000 2.267 383 E HA -0.216 4.134 4.350 0.000 0.000 0.197 383 E C 1.092 177.643 176.600 -0.081 0.000 0.998 383 E CA 0.823 57.141 56.400 -0.137 0.000 0.830 383 E CB 0.074 29.704 29.700 -0.116 0.000 0.751 383 E HN 0.369 nan 8.360 nan 0.000 0.491 384 R N 0.011 120.465 120.500 -0.077 0.000 2.240 384 R HA 0.148 4.488 4.340 0.000 0.000 0.203 384 R C 1.871 178.146 176.300 -0.041 0.000 1.011 384 R CA 0.688 56.760 56.100 -0.046 0.000 1.007 384 R CB 0.136 30.414 30.300 -0.036 0.000 0.911 384 R HN 0.279 nan 8.270 nan 0.000 0.468 385 L N 0.140 121.334 121.223 -0.049 0.000 2.749 385 L HA 0.106 4.446 4.340 0.000 0.000 0.242 385 L C 0.668 177.518 176.870 -0.033 0.000 1.103 385 L CA -0.086 54.732 54.840 -0.036 0.000 0.906 385 L CB 0.105 42.145 42.059 -0.032 0.000 1.228 385 L HN 0.128 nan 8.230 nan 0.000 0.517 386 N N 1.029 119.702 118.700 -0.044 0.000 2.362 386 N HA -0.054 4.686 4.740 0.000 0.000 0.211 386 N C -0.044 175.450 175.510 -0.027 0.000 1.170 386 N CA -0.286 52.743 53.050 -0.036 0.000 0.828 386 N CB -0.270 38.189 38.487 -0.048 0.000 1.034 386 N HN 0.088 nan 8.380 nan 0.000 0.475 387 R N -0.461 120.024 120.500 -0.025 0.000 3.092 387 R HA -0.173 4.167 4.340 0.000 0.000 0.245 387 R C 0.872 177.161 176.300 -0.018 0.000 0.881 387 R CA 0.477 56.565 56.100 -0.020 0.000 0.614 387 R CB -2.147 28.143 30.300 -0.016 0.000 1.128 387 R HN 0.606 nan 8.270 nan 0.000 0.483 388 G N -0.938 107.851 108.800 -0.020 0.000 2.213 388 G HA2 -0.306 3.654 3.960 0.000 0.000 0.236 388 G HA3 -0.306 3.654 3.960 0.000 0.000 0.236 388 G C 0.298 175.188 174.900 -0.016 0.000 0.991 388 G CA 0.039 45.130 45.100 -0.015 0.000 0.629 388 G HN 0.275 nan 8.290 nan 0.000 0.517 389 L N 1.796 123.006 121.223 -0.022 0.000 2.453 389 L HA 0.403 4.743 4.340 0.000 0.000 0.261 389 L C -1.594 175.262 176.870 -0.024 0.000 1.179 389 L CA -1.912 52.914 54.840 -0.023 0.000 0.813 389 L CB 0.522 42.568 42.059 -0.021 0.000 1.110 389 L HN -0.059 nan 8.230 nan 0.000 0.466 390 P HA 0.060 nan 4.420 nan 0.000 0.269 390 P C -2.483 174.843 177.300 0.043 0.000 1.209 390 P CA -0.985 62.117 63.100 0.004 0.000 0.776 390 P CB -0.172 31.436 31.700 -0.153 0.000 0.876 391 P HA -0.011 nan 4.420 nan 0.000 0.267 391 P C -0.241 177.088 177.300 0.048 0.000 1.209 391 P CA 0.351 63.381 63.100 -0.116 0.000 0.763 391 P CB -0.183 31.488 31.700 -0.049 0.000 0.816 392 F N 1.601 121.650 119.950 0.164 0.000 3.069 392 F HA -0.243 4.285 4.527 0.000 0.000 0.285 392 F C 1.323 177.298 175.800 0.292 0.000 0.827 392 F CA 0.329 58.451 58.000 0.204 0.000 1.108 392 F CB -2.645 36.463 39.000 0.179 0.000 1.252 392 F HN 0.274 nan 8.300 nan 0.000 0.483 393 L N -1.717 119.671 121.223 0.275 0.000 3.839 393 L HA -0.319 4.021 4.340 0.000 0.000 0.416 393 L C 1.356 178.372 176.870 0.242 0.000 1.195 393 L CA 1.036 56.016 54.840 0.234 0.000 0.946 393 L CB -1.984 40.241 42.059 0.277 0.000 1.891 393 L HN 0.704 nan 8.230 nan 0.000 0.963 394 H N 0.560 119.747 119.070 0.196 0.000 2.671 394 H HA 0.647 5.203 4.556 0.000 0.000 0.372 394 H C 0.271 175.651 175.328 0.086 0.000 1.227 394 H CA -0.393 55.727 56.048 0.121 0.000 1.426 394 H CB 0.833 30.659 29.762 0.107 0.000 1.480 394 H HN 0.294 nan 8.280 nan 0.000 0.611 395 R N -0.103 120.374 120.500 -0.038 0.000 2.854 395 R HA 0.489 4.829 4.340 0.000 0.000 0.271 395 R C -0.317 176.063 176.300 0.133 0.000 0.994 395 R CA -0.249 55.810 56.100 -0.069 0.000 0.945 395 R CB 2.152 32.446 30.300 -0.011 0.000 1.194 395 R HN 1.110 nan 8.270 nan 0.000 0.476 396 G N 1.511 110.371 108.800 0.100 0.000 2.728 396 G HA2 -0.175 3.785 3.960 0.000 0.000 0.294 396 G HA3 -0.175 3.785 3.960 0.000 0.000 0.294 396 G C -2.792 172.236 174.900 0.213 0.000 1.342 396 G CA -1.244 43.935 45.100 0.132 0.000 0.866 396 G HN 0.386 nan 8.290 nan 0.000 0.534 397 P HA 0.485 nan 4.420 nan 0.000 0.268 397 P C 0.343 177.671 177.300 0.047 0.000 1.204 397 P CA 0.732 63.898 63.100 0.108 0.000 0.768 397 P CB 0.879 32.608 31.700 0.048 0.000 0.842 398 A N 3.028 125.856 122.820 0.014 0.000 2.407 398 A HA 0.511 4.831 4.320 0.000 0.000 0.248 398 A C 1.513 178.993 177.584 -0.173 0.000 1.082 398 A CA 0.787 52.635 52.037 -0.315 0.000 0.785 398 A CB -0.897 18.028 19.000 -0.124 0.000 1.020 398 A HN 0.800 nan 8.150 nan 0.000 0.489 399 G N 0.314 108.994 108.800 -0.200 0.000 3.757 399 G HA2 -0.293 3.667 3.960 0.000 0.000 0.215 399 G HA3 -0.293 3.667 3.960 0.000 0.000 0.215 399 G C 1.122 175.972 174.900 -0.083 0.000 1.411 399 G CA 0.472 45.515 45.100 -0.095 0.000 0.896 399 G HN 0.824 nan 8.290 nan 0.000 0.581 400 L N 1.051 122.234 121.223 -0.068 0.000 2.083 400 L HA 0.111 4.451 4.340 0.000 0.000 0.209 400 L C 0.900 177.739 176.870 -0.051 0.000 1.083 400 L CA 1.072 55.886 54.840 -0.043 0.000 0.752 400 L CB -0.307 41.740 42.059 -0.019 0.000 0.899 400 L HN 0.327 nan 8.230 nan 0.000 0.433 401 N N -1.306 117.346 118.700 -0.080 0.000 2.361 401 N HA 0.203 4.943 4.740 0.000 0.000 0.302 401 N C 0.000 175.436 175.510 -0.124 0.000 1.074 401 N CA -0.103 52.912 53.050 -0.058 0.000 0.850 401 N CB 2.071 40.590 38.487 0.053 0.000 1.228 401 N HN -0.187 nan 8.380 nan 0.000 0.491 402 S N -0.014 115.656 115.700 -0.051 0.000 2.603 402 S HA 0.254 4.724 4.470 0.000 0.000 0.232 402 S C 1.248 175.892 174.600 0.073 0.000 1.016 402 S CA 0.021 58.205 58.200 -0.028 0.000 0.976 402 S CB 0.542 63.677 63.200 -0.109 0.000 0.921 402 S HN 0.920 nan 8.310 nan 0.000 0.516 403 G N 2.509 111.346 108.800 0.061 0.000 2.629 403 G HA2 -0.348 3.612 3.960 0.000 0.000 0.313 403 G HA3 -0.348 3.612 3.960 0.000 0.000 0.313 403 G C 0.233 175.040 174.900 -0.156 0.000 1.217 403 G CA 0.830 45.926 45.100 -0.006 0.000 0.994 403 G HN 0.458 nan 8.290 nan 0.000 0.549 404 F N 1.379 121.418 119.950 0.148 0.000 2.663 404 F HA 0.472 4.999 4.527 0.000 0.000 0.299 404 F C 2.385 178.214 175.800 0.048 0.000 1.143 404 F CA 0.920 58.981 58.000 0.101 0.000 1.387 404 F CB 0.123 39.199 39.000 0.127 0.000 1.019 404 F HN 0.317 nan 8.300 nan 0.000 0.523 405 M N -0.115 119.483 119.600 -0.003 0.000 2.149 405 M HA -0.110 4.370 4.480 0.000 0.000 0.261 405 M C 2.357 178.525 176.300 -0.220 0.000 1.064 405 M CA 2.130 57.159 55.300 -0.450 0.000 1.102 405 M CB -0.395 31.686 32.600 -0.865 0.000 1.369 405 M HN 0.315 nan 8.290 nan 0.000 0.408 406 G N -0.815 107.918 108.800 -0.111 0.000 2.394 406 G HA2 -0.084 3.877 3.960 0.000 0.000 0.214 406 G HA3 -0.084 3.877 3.960 0.000 0.000 0.214 406 G C 1.482 176.385 174.900 0.005 0.000 1.176 406 G CA 0.687 45.749 45.100 -0.062 0.000 0.786 406 G HN 0.596 nan 8.290 nan 0.000 0.533 407 A N 0.042 122.904 122.820 0.069 0.000 1.940 407 A HA -0.110 4.210 4.320 0.000 0.000 0.219 407 A C 2.271 179.919 177.584 0.106 0.000 1.176 407 A CA 2.057 54.164 52.037 0.117 0.000 0.631 407 A CB -0.445 18.701 19.000 0.244 0.000 0.814 407 A HN 0.385 nan 8.150 nan 0.000 0.446 408 Q N 0.048 119.925 119.800 0.128 0.000 2.084 408 Q HA -0.130 4.210 4.340 0.000 0.000 0.202 408 Q C 2.094 178.141 176.000 0.078 0.000 0.978 408 Q CA 2.081 57.959 55.803 0.124 0.000 0.844 408 Q CB -0.289 28.573 28.738 0.206 0.000 0.898 408 Q HN 0.434 nan 8.270 nan 0.000 0.426 409 V N 0.460 120.399 119.914 0.043 0.000 2.427 409 V HA -0.197 3.923 4.120 0.000 0.000 0.248 409 V C 2.356 178.466 176.094 0.027 0.000 1.051 409 V CA 1.987 64.302 62.300 0.025 0.000 1.048 409 V CB -0.776 31.042 31.823 -0.008 0.000 0.666 409 V HN 0.380 nan 8.190 nan 0.000 0.456 410 T N 0.461 115.032 114.554 0.028 0.000 2.720 410 T HA -0.181 4.169 4.350 0.000 0.000 0.268 410 T C 2.061 176.781 174.700 0.034 0.000 1.037 410 T CA 1.640 63.757 62.100 0.028 0.000 1.144 410 T CB -0.374 68.511 68.868 0.029 0.000 0.864 410 T HN 0.575 nan 8.240 nan 0.000 0.444 411 A N 1.169 124.015 122.820 0.043 0.000 1.902 411 A HA -0.128 4.192 4.320 0.000 0.000 0.217 411 A C 2.547 180.157 177.584 0.044 0.000 1.181 411 A CA 2.090 54.154 52.037 0.046 0.000 0.623 411 A CB -1.173 17.858 19.000 0.051 0.000 0.818 411 A HN 0.484 nan 8.150 nan 0.000 0.443 412 T N 0.299 114.878 114.554 0.042 0.000 2.746 412 T HA 0.002 4.352 4.350 0.000 0.000 0.267 412 T C 2.229 176.946 174.700 0.028 0.000 1.039 412 T CA 1.506 63.628 62.100 0.036 0.000 1.142 412 T CB -0.449 68.440 68.868 0.035 0.000 0.866 412 T HN 0.597 nan 8.240 nan 0.000 0.444 413 A N 1.315 124.151 122.820 0.026 0.000 1.902 413 A HA 0.005 4.325 4.320 0.000 0.000 0.217 413 A C 2.303 179.902 177.584 0.023 0.000 1.181 413 A CA 1.198 53.248 52.037 0.021 0.000 0.623 413 A CB -0.852 18.158 19.000 0.017 0.000 0.818 413 A HN 0.477 nan 8.150 nan 0.000 0.443 414 L N -1.162 120.078 121.223 0.029 0.000 2.046 414 L HA -0.159 4.181 4.340 0.000 0.000 0.208 414 L C 2.567 179.457 176.870 0.035 0.000 1.077 414 L CA 1.208 56.068 54.840 0.034 0.000 0.747 414 L CB -0.545 41.540 42.059 0.043 0.000 0.896 414 L HN 0.485 nan 8.230 nan 0.000 0.432 415 L N 0.241 121.484 121.223 0.033 0.000 2.056 415 L HA -0.098 4.242 4.340 0.000 0.000 0.207 415 L C 2.643 179.521 176.870 0.014 0.000 1.078 415 L CA 1.936 56.790 54.840 0.023 0.000 0.749 415 L CB -0.699 41.373 42.059 0.021 0.000 0.901 415 L HN 0.122 nan 8.230 nan 0.000 0.433 416 A N -0.703 122.126 122.820 0.015 0.000 1.908 416 A HA -0.294 4.026 4.320 0.000 0.000 0.218 416 A C 2.334 179.925 177.584 0.011 0.000 1.181 416 A CA 1.944 53.988 52.037 0.011 0.000 0.627 416 A CB -0.783 18.224 19.000 0.013 0.000 0.818 416 A HN 0.649 nan 8.150 nan 0.000 0.445 417 E N -0.640 119.569 120.200 0.015 0.000 2.077 417 E HA -0.193 4.157 4.350 0.000 0.000 0.193 417 E C 2.061 178.670 176.600 0.016 0.000 0.989 417 E CA 1.358 57.767 56.400 0.016 0.000 0.800 417 E CB -0.218 29.494 29.700 0.019 0.000 0.746 417 E HN 0.667 nan 8.360 nan 0.000 0.452 418 M N 0.062 119.671 119.600 0.017 0.000 2.082 418 M HA -0.207 4.273 4.480 0.000 0.000 0.258 418 M C 2.376 178.679 176.300 0.005 0.000 1.069 418 M CA 1.679 56.987 55.300 0.013 0.000 1.102 418 M CB -0.271 32.333 32.600 0.007 0.000 1.336 418 M HN 0.036 nan 8.290 nan 0.000 0.404 419 R N 0.089 120.590 120.500 0.001 0.000 2.152 419 R HA -0.065 4.276 4.340 0.000 0.000 0.232 419 R C 2.216 178.520 176.300 0.007 0.000 1.117 419 R CA 1.206 57.305 56.100 -0.001 0.000 0.981 419 R CB -0.512 29.787 30.300 -0.003 0.000 0.870 419 R HN 0.396 nan 8.270 nan 0.000 0.451 420 A N 0.539 123.365 122.820 0.010 0.000 2.121 420 A HA -0.044 4.276 4.320 0.000 0.000 0.218 420 A C 0.755 178.349 177.584 0.018 0.000 1.154 420 A CA 0.961 53.006 52.037 0.013 0.000 0.679 420 A CB 0.041 19.048 19.000 0.011 0.000 0.795 420 A HN 0.118 nan 8.150 nan 0.000 0.458 421 T N 0.232 114.798 114.554 0.020 0.000 2.758 421 T HA 0.545 4.895 4.350 0.000 0.000 0.285 421 T C 0.481 175.203 174.700 0.036 0.000 0.981 421 T CA 0.049 62.166 62.100 0.028 0.000 0.965 421 T CB 1.471 70.355 68.868 0.027 0.000 0.927 421 T HN 0.367 nan 8.240 nan 0.000 0.448 422 G N 3.310 112.145 108.800 0.057 0.000 2.702 422 G HA2 0.657 4.617 3.960 0.000 0.000 0.254 422 G HA3 0.657 4.617 3.960 0.000 0.000 0.254 422 G C -2.585 172.362 174.900 0.077 0.000 1.380 422 G CA -1.580 43.557 45.100 0.061 0.000 1.042 422 G HN 0.429 nan 8.290 nan 0.000 0.557 423 P HA 0.259 nan 4.420 nan 0.000 0.266 423 P C 0.313 177.672 177.300 0.097 0.000 1.195 423 P CA 0.369 63.501 63.100 0.054 0.000 0.768 423 P CB 1.322 33.030 31.700 0.013 0.000 0.838 424 A N 1.970 124.851 122.820 0.102 0.000 1.997 424 A HA -0.039 4.281 4.320 0.000 0.000 0.212 424 A C 2.074 179.722 177.584 0.107 0.000 1.178 424 A CA 1.010 53.147 52.037 0.166 0.000 0.698 424 A CB -1.014 18.055 19.000 0.115 0.000 0.842 424 A HN 0.474 nan 8.150 nan 0.000 0.458 425 S N 0.694 116.414 115.700 0.033 0.000 2.402 425 S HA -0.203 4.267 4.470 0.000 0.000 0.233 425 S C 1.708 176.272 174.600 -0.060 0.000 1.030 425 S CA 1.664 59.865 58.200 0.001 0.000 1.003 425 S CB -0.723 62.478 63.200 0.001 0.000 0.813 425 S HN 0.798 nan 8.310 nan 0.000 0.477 426 I N -1.236 119.224 120.570 -0.183 0.000 3.334 426 I HA 0.031 4.201 4.170 0.000 0.000 0.282 426 I C 0.749 176.646 176.117 -0.367 0.000 1.313 426 I CA 1.046 62.175 61.300 -0.285 0.000 1.396 426 I CB -0.381 37.402 38.000 -0.361 0.000 1.054 426 I HN 0.172 nan 8.210 nan 0.000 0.495 427 H N 1.161 120.242 119.070 0.019 0.000 2.524 427 H HA 0.314 4.870 4.556 0.000 0.000 0.299 427 H C 0.661 176.000 175.328 0.019 0.000 1.074 427 H CA -0.235 55.824 56.048 0.018 0.000 1.115 427 H CB 0.084 29.857 29.762 0.017 0.000 1.522 427 H HN 0.304 nan 8.280 nan 0.000 0.543 428 S N 1.215 116.960 115.700 0.076 0.000 2.552 428 S HA 0.197 4.667 4.470 0.000 0.000 0.289 428 S C 0.278 174.916 174.600 0.063 0.000 1.304 428 S CA -0.193 58.045 58.200 0.064 0.000 1.063 428 S CB 0.001 63.224 63.200 0.039 0.000 0.848 428 S HN 0.294 nan 8.310 nan 0.000 0.499 429 I N 3.323 123.928 120.570 0.059 0.000 2.569 429 I HA 0.215 4.385 4.170 0.000 0.000 0.290 429 I C 0.044 176.186 176.117 0.042 0.000 1.088 429 I CA -0.652 60.678 61.300 0.050 0.000 1.047 429 I CB 2.123 40.152 38.000 0.049 0.000 1.237 429 I HN 0.580 nan 8.210 nan 0.000 0.421 430 S N 3.985 119.707 115.700 0.037 0.000 2.525 430 S HA 0.237 4.708 4.470 0.000 0.000 0.285 430 S C -0.197 174.423 174.600 0.034 0.000 1.283 430 S CA 0.461 58.682 58.200 0.035 0.000 1.072 430 S CB 0.248 63.466 63.200 0.030 0.000 0.867 430 S HN 0.768 nan 8.310 nan 0.000 0.492 431 T N 3.167 117.742 114.554 0.036 0.000 2.696 431 T HA 0.422 4.772 4.350 0.000 0.000 0.291 431 T C -0.352 174.369 174.700 0.036 0.000 1.095 431 T CA -0.129 61.992 62.100 0.034 0.000 1.026 431 T CB 0.851 69.740 68.868 0.035 0.000 1.390 431 T HN 0.920 nan 8.240 nan 0.000 0.513 432 N N 0.687 119.408 118.700 0.035 0.000 2.727 432 N HA -0.222 4.518 4.740 0.000 0.000 0.251 432 N C 0.272 175.803 175.510 0.034 0.000 1.040 432 N CA 0.792 53.865 53.050 0.038 0.000 0.712 432 N CB -1.183 37.333 38.487 0.048 0.000 0.912 432 N HN 1.555 nan 8.380 nan 0.000 0.545 433 A N -0.587 122.248 122.820 0.026 0.000 2.783 433 A HA 0.014 4.334 4.320 0.000 0.000 0.292 433 A C 1.353 178.953 177.584 0.026 0.000 1.495 433 A CA 2.072 54.123 52.037 0.022 0.000 0.787 433 A CB -2.275 16.737 19.000 0.019 0.000 1.017 433 A HN 2.267 nan 8.150 nan 0.000 0.516 434 A N -2.303 120.534 122.820 0.028 0.000 3.413 434 A HA -0.366 3.954 4.320 0.000 0.000 0.268 434 A C 1.419 179.023 177.584 0.034 0.000 1.128 434 A CA 2.067 54.122 52.037 0.029 0.000 1.062 434 A CB -2.532 16.483 19.000 0.024 0.000 1.121 434 A HN 2.254 nan 8.150 nan 0.000 0.895 435 N N -0.006 118.717 118.700 0.039 0.000 2.188 435 N HA -0.095 4.645 4.740 0.000 0.000 0.184 435 N C 0.998 176.540 175.510 0.052 0.000 1.018 435 N CA 1.863 54.941 53.050 0.046 0.000 0.858 435 N CB -0.169 38.350 38.487 0.053 0.000 0.989 435 N HN 0.751 nan 8.380 nan 0.000 0.426 436 Q N 0.525 120.356 119.800 0.051 0.000 3.091 436 Q HA 0.065 4.405 4.340 0.000 0.000 0.301 436 Q C -0.408 175.623 176.000 0.052 0.000 1.337 436 Q CA -0.275 55.563 55.803 0.058 0.000 1.083 436 Q CB 0.529 29.296 28.738 0.049 0.000 1.477 436 Q HN 0.511 nan 8.270 nan 0.000 0.537 437 D N -0.541 119.888 120.400 0.048 0.000 2.350 437 D HA -0.089 4.551 4.640 0.000 0.000 0.216 437 D C 0.655 176.979 176.300 0.041 0.000 0.968 437 D CA 0.464 54.488 54.000 0.040 0.000 0.894 437 D CB 0.054 40.874 40.800 0.033 0.000 0.909 437 D HN 0.197 nan 8.370 nan 0.000 0.520 438 V N -1.853 118.090 119.914 0.049 0.000 2.760 438 V HA 0.746 4.866 4.120 0.000 0.000 0.309 438 V C -0.413 175.719 176.094 0.063 0.000 1.077 438 V CA -1.228 61.101 62.300 0.048 0.000 0.910 438 V CB 1.878 33.724 31.823 0.040 0.000 1.008 438 V HN 0.104 nan 8.190 nan 0.000 0.424 439 V N 1.009 120.959 119.914 0.059 0.000 2.962 439 V HA 0.776 4.896 4.120 0.000 0.000 0.313 439 V C 1.075 177.206 176.094 0.061 0.000 1.099 439 V CA 0.279 62.620 62.300 0.068 0.000 0.971 439 V CB 1.482 33.341 31.823 0.060 0.000 1.028 439 V HN 1.307 nan 8.190 nan 0.000 0.430 440 S N 2.604 118.346 115.700 0.069 0.000 2.425 440 S HA 0.076 4.546 4.470 0.000 0.000 0.225 440 S C 1.168 175.799 174.600 0.053 0.000 1.024 440 S CA 1.126 59.360 58.200 0.057 0.000 0.951 440 S CB -0.885 62.355 63.200 0.065 0.000 0.796 440 S HN 1.391 nan 8.310 nan 0.000 0.498 441 L N 0.382 121.639 121.223 0.057 0.000 4.001 441 L HA -0.202 4.138 4.340 0.000 0.000 0.413 441 L C 1.514 178.415 176.870 0.052 0.000 1.185 441 L CA 0.032 54.906 54.840 0.057 0.000 0.963 441 L CB -2.290 39.812 42.059 0.071 0.000 1.976 441 L HN 0.534 nan 8.230 nan 0.000 0.939 442 G N -0.434 108.395 108.800 0.048 0.000 2.432 442 G HA2 -0.200 3.760 3.960 0.000 0.000 0.219 442 G HA3 -0.200 3.760 3.960 0.000 0.000 0.219 442 G C 1.280 176.204 174.900 0.041 0.000 1.135 442 G CA 1.369 46.495 45.100 0.043 0.000 0.767 442 G HN 0.468 nan 8.290 nan 0.000 0.550 443 T N 1.355 115.931 114.554 0.038 0.000 2.777 443 T HA -0.031 4.319 4.350 0.000 0.000 0.266 443 T C 2.375 177.097 174.700 0.036 0.000 1.040 443 T CA 0.951 63.071 62.100 0.032 0.000 1.141 443 T CB -0.127 68.755 68.868 0.024 0.000 0.868 443 T HN 0.269 nan 8.240 nan 0.000 0.444 444 I N 1.589 122.183 120.570 0.040 0.000 2.226 444 I HA -0.160 4.010 4.170 0.000 0.000 0.245 444 I C 3.002 179.149 176.117 0.050 0.000 1.100 444 I CA 1.075 62.400 61.300 0.042 0.000 1.374 444 I CB -0.534 37.494 38.000 0.047 0.000 1.057 444 I HN 0.208 nan 8.210 nan 0.000 0.413 445 A N 0.831 123.684 122.820 0.056 0.000 1.883 445 A HA -0.205 4.115 4.320 0.000 0.000 0.217 445 A C 2.550 180.171 177.584 0.062 0.000 1.186 445 A CA 2.033 54.106 52.037 0.061 0.000 0.624 445 A CB -0.917 18.118 19.000 0.059 0.000 0.822 445 A HN 0.435 nan 8.150 nan 0.000 0.444 446 A N -0.435 122.422 122.820 0.061 0.000 1.902 446 A HA -0.156 4.164 4.320 0.000 0.000 0.217 446 A C 2.251 179.873 177.584 0.064 0.000 1.181 446 A CA 1.556 53.636 52.037 0.072 0.000 0.623 446 A CB -0.444 18.596 19.000 0.067 0.000 0.818 446 A HN 0.554 nan 8.150 nan 0.000 0.443 447 R N -0.603 119.928 120.500 0.052 0.000 2.092 447 R HA 0.021 4.361 4.340 0.000 0.000 0.231 447 R C 1.995 178.324 176.300 0.048 0.000 1.119 447 R CA 1.298 57.426 56.100 0.047 0.000 0.970 447 R CB -0.428 29.893 30.300 0.035 0.000 0.864 447 R HN 0.503 nan 8.270 nan 0.000 0.440 448 L N -0.312 120.940 121.223 0.048 0.000 2.093 448 L HA -0.203 4.137 4.340 0.000 0.000 0.208 448 L C 2.732 179.632 176.870 0.049 0.000 1.085 448 L CA 0.712 55.579 54.840 0.046 0.000 0.755 448 L CB -0.480 41.608 42.059 0.048 0.000 0.904 448 L HN 0.375 nan 8.230 nan 0.000 0.435 449 C N 0.388 119.720 119.300 0.054 0.000 2.440 449 C HA -0.155 4.305 4.460 0.000 0.000 0.278 449 C C 3.104 178.133 174.990 0.066 0.000 1.295 449 C CA 0.888 59.937 59.018 0.053 0.000 1.738 449 C CB -0.534 27.237 27.740 0.053 0.000 1.987 449 C HN 0.505 nan 8.230 nan 0.000 0.492 450 R N 1.254 121.796 120.500 0.070 0.000 2.083 450 R HA -0.092 4.248 4.340 0.000 0.000 0.237 450 R C 2.125 178.473 176.300 0.080 0.000 1.137 450 R CA 2.082 58.230 56.100 0.080 0.000 0.951 450 R CB -0.787 29.557 30.300 0.074 0.000 0.851 450 R HN 0.526 nan 8.270 nan 0.000 0.434 451 E N 0.804 121.044 120.200 0.066 0.000 2.085 451 E HA -0.194 4.156 4.350 0.000 0.000 0.194 451 E C 1.883 178.527 176.600 0.073 0.000 0.994 451 E CA 1.489 57.926 56.400 0.061 0.000 0.801 451 E CB -0.140 29.589 29.700 0.047 0.000 0.743 451 E HN 0.441 nan 8.360 nan 0.000 0.453 452 K N 0.304 120.747 120.400 0.072 0.000 2.097 452 K HA -0.043 4.277 4.320 0.000 0.000 0.206 452 K C 2.311 179.000 176.600 0.148 0.000 1.049 452 K CA 0.807 57.142 56.287 0.080 0.000 0.933 452 K CB -0.142 32.383 32.500 0.042 0.000 0.717 452 K HN 0.097 nan 8.250 nan 0.000 0.442 453 I N 1.442 122.112 120.570 0.166 0.000 2.286 453 I HA -0.286 3.884 4.170 0.000 0.000 0.248 453 I C 1.579 177.817 176.117 0.201 0.000 1.115 453 I CA 1.170 62.623 61.300 0.254 0.000 1.392 453 I CB -0.239 37.878 38.000 0.195 0.000 1.065 453 I HN 0.157 nan 8.210 nan 0.000 0.418 454 D N 0.542 121.019 120.400 0.128 0.000 2.144 454 D HA -0.124 4.516 4.640 0.000 0.000 0.200 454 D C 2.330 178.683 176.300 0.089 0.000 0.978 454 D CA 0.901 54.952 54.000 0.085 0.000 0.833 454 D CB -0.205 40.634 40.800 0.065 0.000 0.961 454 D HN 0.192 nan 8.370 nan 0.000 0.470 455 R N -0.020 120.549 120.500 0.115 0.000 2.075 455 R HA -0.113 4.227 4.340 0.000 0.000 0.232 455 R C 2.131 178.539 176.300 0.180 0.000 1.126 455 R CA 0.446 56.613 56.100 0.112 0.000 0.963 455 R CB -1.039 29.317 30.300 0.094 0.000 0.858 455 R HN 0.340 nan 8.270 nan 0.000 0.435 456 W N 1.944 123.244 121.300 -0.001 0.000 2.338 456 W HA -0.109 4.551 4.660 0.000 0.000 0.304 456 W C 2.099 178.608 176.519 -0.017 0.000 1.212 456 W CA 1.453 58.798 57.345 -0.001 0.000 1.264 456 W CB -0.633 28.834 29.460 0.011 0.000 1.142 456 W HN 0.139 nan 8.180 nan 0.000 0.512 457 A N 0.141 122.960 122.820 -0.001 0.000 1.933 457 A HA -0.220 4.100 4.320 0.000 0.000 0.218 457 A C 1.874 179.373 177.584 -0.142 0.000 1.175 457 A CA 1.929 53.852 52.037 -0.190 0.000 0.628 457 A CB -0.740 18.172 19.000 -0.148 0.000 0.814 457 A HN 0.470 nan 8.150 nan 0.000 0.444 458 E N -0.326 119.848 120.200 -0.044 0.000 2.072 458 E HA -0.099 4.251 4.350 0.000 0.000 0.191 458 E C 1.844 178.427 176.600 -0.028 0.000 0.985 458 E CA 1.110 57.486 56.400 -0.040 0.000 0.801 458 E CB -0.257 29.443 29.700 0.001 0.000 0.750 458 E HN 0.693 nan 8.360 nan 0.000 0.452 459 I N 0.961 121.551 120.570 0.033 0.000 2.252 459 I HA -0.267 3.903 4.170 0.000 0.000 0.245 459 I C 2.256 178.383 176.117 0.016 0.000 1.102 459 I CA 0.981 62.316 61.300 0.060 0.000 1.385 459 I CB -0.153 37.938 38.000 0.151 0.000 1.064 459 I HN 0.112 nan 8.210 nan 0.000 0.414 460 L N 0.408 121.613 121.223 -0.031 0.000 2.093 460 L HA -0.176 4.164 4.340 0.000 0.000 0.208 460 L C 2.835 179.592 176.870 -0.189 0.000 1.085 460 L CA 1.139 55.914 54.840 -0.109 0.000 0.755 460 L CB -0.671 41.232 42.059 -0.260 0.000 0.904 460 L HN 0.236 nan 8.230 nan 0.000 0.435 461 A N 0.398 123.080 122.820 -0.230 0.000 1.902 461 A HA -0.187 4.133 4.320 0.000 0.000 0.217 461 A C 2.209 179.667 177.584 -0.210 0.000 1.181 461 A CA 1.534 53.401 52.037 -0.283 0.000 0.623 461 A CB -0.615 18.232 19.000 -0.255 0.000 0.818 461 A HN 0.343 nan 8.150 nan 0.000 0.443 462 I N -0.849 119.646 120.570 -0.124 0.000 2.226 462 I HA -0.219 3.951 4.170 0.000 0.000 0.245 462 I C 2.406 178.444 176.117 -0.132 0.000 1.100 462 I CA 1.166 62.415 61.300 -0.085 0.000 1.374 462 I CB -0.242 37.747 38.000 -0.019 0.000 1.057 462 I HN 0.399 nan 8.210 nan 0.000 0.413 463 L N 1.171 122.336 121.223 -0.096 0.000 2.083 463 L HA -0.140 4.200 4.340 0.000 0.000 0.209 463 L C 2.479 179.285 176.870 -0.107 0.000 1.083 463 L CA 2.088 56.878 54.840 -0.084 0.000 0.752 463 L CB -0.783 41.269 42.059 -0.011 0.000 0.899 463 L HN 0.179 nan 8.230 nan 0.000 0.433 464 A N -0.636 122.115 122.820 -0.116 0.000 1.898 464 A HA -0.109 4.211 4.320 0.000 0.000 0.216 464 A C 2.243 179.748 177.584 -0.132 0.000 1.181 464 A CA 1.740 53.723 52.037 -0.091 0.000 0.620 464 A CB -0.781 18.129 19.000 -0.150 0.000 0.819 464 A HN 0.489 nan 8.150 nan 0.000 0.442 465 L N -0.909 120.195 121.223 -0.199 0.000 2.093 465 L HA -0.223 4.117 4.340 0.000 0.000 0.208 465 L C 2.674 179.329 176.870 -0.359 0.000 1.085 465 L CA 1.057 55.796 54.840 -0.167 0.000 0.755 465 L CB -0.658 41.368 42.059 -0.054 0.000 0.904 465 L HN 0.479 nan 8.230 nan 0.000 0.435 466 C N -0.210 118.727 119.300 -0.604 0.000 2.446 466 C HA -0.124 4.336 4.460 0.000 0.000 0.277 466 C C 2.738 177.522 174.990 -0.343 0.000 1.275 466 C CA 0.451 58.979 59.018 -0.816 0.000 1.727 466 C CB -0.683 26.708 27.740 -0.582 0.000 2.010 466 C HN 0.427 nan 8.230 nan 0.000 0.486 467 L N 0.878 121.992 121.223 -0.182 0.000 2.141 467 L HA -0.114 4.226 4.340 0.000 0.000 0.209 467 L C 2.837 179.693 176.870 -0.023 0.000 1.094 467 L CA 1.395 56.196 54.840 -0.066 0.000 0.763 467 L CB -0.650 41.402 42.059 -0.011 0.000 0.908 467 L HN 0.333 nan 8.230 nan 0.000 0.437 468 A N -0.326 122.485 122.820 -0.015 0.000 1.902 468 A HA -0.284 4.036 4.320 0.000 0.000 0.217 468 A C 2.210 179.825 177.584 0.052 0.000 1.181 468 A CA 1.927 53.988 52.037 0.039 0.000 0.623 468 A CB -0.461 18.578 19.000 0.065 0.000 0.818 468 A HN 0.424 nan 8.150 nan 0.000 0.443 469 Q N -0.358 119.473 119.800 0.051 0.000 2.083 469 Q HA 0.039 4.379 4.340 0.000 0.000 0.198 469 Q C 2.061 178.098 176.000 0.062 0.000 0.969 469 Q CA 1.951 57.821 55.803 0.111 0.000 0.838 469 Q CB -0.496 28.404 28.738 0.270 0.000 0.900 469 Q HN 0.528 nan 8.270 nan 0.000 0.436 470 A N 0.522 123.350 122.820 0.013 0.000 1.902 470 A HA -0.079 4.241 4.320 0.000 0.000 0.217 470 A C 2.321 179.915 177.584 0.016 0.000 1.181 470 A CA 1.796 53.837 52.037 0.007 0.000 0.623 470 A CB -1.261 17.728 19.000 -0.019 0.000 0.818 470 A HN 0.549 nan 8.150 nan 0.000 0.443 471 A N -0.086 122.746 122.820 0.020 0.000 1.908 471 A HA -0.204 4.116 4.320 0.000 0.000 0.218 471 A C 1.917 179.518 177.584 0.028 0.000 1.181 471 A CA 1.755 53.808 52.037 0.027 0.000 0.627 471 A CB -0.529 18.491 19.000 0.034 0.000 0.818 471 A HN 0.666 nan 8.150 nan 0.000 0.445 472 E N -0.345 119.875 120.200 0.034 0.000 2.107 472 E HA -0.055 4.295 4.350 0.000 0.000 0.191 472 E C 1.926 178.540 176.600 0.024 0.000 0.982 472 E CA 0.834 57.254 56.400 0.033 0.000 0.809 472 E CB -0.232 29.494 29.700 0.044 0.000 0.756 472 E HN 0.614 nan 8.360 nan 0.000 0.459 473 L N 0.501 121.737 121.223 0.022 0.000 2.056 473 L HA -0.146 4.194 4.340 0.000 0.000 0.207 473 L C 2.650 179.523 176.870 0.004 0.000 1.078 473 L CA 0.937 55.781 54.840 0.008 0.000 0.749 473 L CB -0.156 41.904 42.059 0.002 0.000 0.901 473 L HN 0.014 nan 8.230 nan 0.000 0.433 474 R N -0.220 120.285 120.500 0.008 0.000 2.075 474 R HA -0.058 4.282 4.340 0.000 0.000 0.226 474 R C 1.795 178.100 176.300 0.009 0.000 1.114 474 R CA 1.701 57.804 56.100 0.006 0.000 0.972 474 R CB -0.406 29.898 30.300 0.007 0.000 0.869 474 R HN 0.369 nan 8.270 nan 0.000 0.437 475 C N 0.041 119.349 119.300 0.013 0.000 3.183 475 C HA 0.661 5.121 4.460 0.000 0.000 0.285 475 C C 0.629 175.628 174.990 0.015 0.000 1.313 475 C CA -0.344 58.683 59.018 0.014 0.000 1.711 475 C CB -0.761 26.989 27.740 0.018 0.000 2.135 475 C HN 0.735 nan 8.230 nan 0.000 0.651 476 G N 1.681 110.490 108.800 0.015 0.000 2.730 476 G HA2 -0.139 3.821 3.960 0.000 0.000 0.686 476 G HA3 -0.139 3.821 3.960 0.000 0.000 0.686 476 G C 0.657 175.569 174.900 0.020 0.000 1.343 476 G CA 0.016 45.125 45.100 0.015 0.000 0.826 476 G HN 0.757 nan 8.290 nan 0.000 0.582 477 S N -0.721 114.991 115.700 0.020 0.000 2.442 477 S HA 0.078 4.548 4.470 0.000 0.000 0.236 477 S C 2.314 176.929 174.600 0.024 0.000 1.007 477 S CA 1.826 60.041 58.200 0.024 0.000 0.965 477 S CB -0.055 63.159 63.200 0.023 0.000 0.773 477 S HN 2.122 nan 8.310 nan 0.000 0.504 478 G N 0.786 109.598 108.800 0.020 0.000 2.920 478 G HA2 0.375 4.335 3.960 0.000 0.000 0.208 478 G HA3 0.375 4.335 3.960 0.000 0.000 0.208 478 G C 0.505 175.418 174.900 0.021 0.000 1.159 478 G CA -0.206 44.906 45.100 0.019 0.000 0.784 478 G HN 0.577 nan 8.290 nan 0.000 0.535 479 L N 1.072 122.309 121.223 0.022 0.000 3.660 479 L HA -0.142 4.198 4.340 0.000 0.000 0.440 479 L C -0.931 175.952 176.870 0.020 0.000 1.262 479 L CA -0.115 54.739 54.840 0.024 0.000 0.837 479 L CB -1.712 40.364 42.059 0.028 0.000 1.689 479 L HN 0.217 nan 8.230 nan 0.000 0.890 480 D N 1.377 121.787 120.400 0.018 0.000 2.450 480 D HA 0.312 4.952 4.640 0.000 0.000 0.247 480 D C 1.383 177.692 176.300 0.016 0.000 1.162 480 D CA 1.254 55.264 54.000 0.015 0.000 0.879 480 D CB 1.324 42.132 40.800 0.013 0.000 1.163 480 D HN 0.527 nan 8.370 nan 0.000 0.472 481 G N 1.356 110.165 108.800 0.016 0.000 2.217 481 G HA2 -0.279 3.681 3.960 0.000 0.000 0.246 481 G HA3 -0.279 3.681 3.960 0.000 0.000 0.246 481 G C 0.432 175.344 174.900 0.019 0.000 0.990 481 G CA 0.069 45.179 45.100 0.016 0.000 0.627 481 G HN 0.522 nan 8.290 nan 0.000 0.522 482 V N 2.664 122.591 119.914 0.021 0.000 2.715 482 V HA 0.493 4.613 4.120 0.000 0.000 0.299 482 V C 1.495 177.604 176.094 0.025 0.000 1.054 482 V CA 0.188 62.504 62.300 0.026 0.000 1.077 482 V CB 1.380 33.220 31.823 0.029 0.000 0.972 482 V HN 1.077 nan 8.190 nan 0.000 0.484 483 S N 5.030 120.748 115.700 0.029 0.000 2.576 483 S HA 0.134 4.604 4.470 0.000 0.000 0.272 483 S C -1.715 172.898 174.600 0.022 0.000 1.352 483 S CA -0.609 57.607 58.200 0.027 0.000 1.021 483 S CB 0.515 63.736 63.200 0.035 0.000 0.887 483 S HN 0.571 nan 8.310 nan 0.000 0.542 484 P HA -0.035 nan 4.420 nan 0.000 0.215 484 P C 1.662 178.968 177.300 0.009 0.000 1.157 484 P CA 1.950 65.057 63.100 0.012 0.000 0.868 484 P CB -0.259 31.446 31.700 0.008 0.000 0.788 485 A N -0.272 122.551 122.820 0.005 0.000 1.902 485 A HA -0.077 4.243 4.320 0.000 0.000 0.217 485 A C 2.476 180.060 177.584 0.000 0.000 1.181 485 A CA 2.062 54.095 52.037 -0.007 0.000 0.623 485 A CB -1.879 17.112 19.000 -0.015 0.000 0.818 485 A HN 0.273 nan 8.150 nan 0.000 0.443 486 G N -0.388 108.422 108.800 0.017 0.000 2.418 486 G HA2 -0.220 3.740 3.960 0.000 0.000 0.217 486 G HA3 -0.220 3.740 3.960 0.000 0.000 0.217 486 G C 1.689 176.609 174.900 0.033 0.000 1.158 486 G CA 1.097 46.214 45.100 0.029 0.000 0.771 486 G HN 0.563 nan 8.290 nan 0.000 0.545 487 K N 0.189 120.606 120.400 0.029 0.000 2.026 487 K HA -0.054 4.266 4.320 0.000 0.000 0.208 487 K C 2.450 179.070 176.600 0.033 0.000 1.048 487 K CA 1.299 57.605 56.287 0.031 0.000 0.929 487 K CB -0.147 32.367 32.500 0.025 0.000 0.713 487 K HN 0.250 nan 8.250 nan 0.000 0.439 488 K N 1.399 121.814 120.400 0.024 0.000 2.063 488 K HA -0.156 4.164 4.320 0.000 0.000 0.208 488 K C 2.167 178.790 176.600 0.040 0.000 1.048 488 K CA 1.110 57.412 56.287 0.025 0.000 0.928 488 K CB -0.125 32.380 32.500 0.008 0.000 0.713 488 K HN 0.106 nan 8.250 nan 0.000 0.442 489 L N 0.673 121.918 121.223 0.036 0.000 2.017 489 L HA -0.176 4.164 4.340 0.000 0.000 0.208 489 L C 2.099 179.038 176.870 0.114 0.000 1.073 489 L CA 1.151 56.032 54.840 0.069 0.000 0.745 489 L CB -0.138 41.947 42.059 0.044 0.000 0.894 489 L HN 0.036 nan 8.230 nan 0.000 0.432 490 V N -0.158 119.810 119.914 0.090 0.000 2.358 490 V HA -0.293 3.827 4.120 0.000 0.000 0.246 490 V C 2.446 178.595 176.094 0.092 0.000 1.047 490 V CA 1.940 64.296 62.300 0.094 0.000 1.035 490 V CB -0.594 31.272 31.823 0.071 0.000 0.658 490 V HN 0.549 nan 8.190 nan 0.000 0.452 491 Q N -0.036 119.807 119.800 0.072 0.000 2.124 491 Q HA -0.156 4.184 4.340 0.000 0.000 0.202 491 Q C 2.418 178.461 176.000 0.072 0.000 0.977 491 Q CA 1.746 57.586 55.803 0.062 0.000 0.850 491 Q CB -0.423 28.342 28.738 0.045 0.000 0.901 491 Q HN 0.672 nan 8.270 nan 0.000 0.429 492 A N 0.906 123.778 122.820 0.087 0.000 1.898 492 A HA -0.142 4.178 4.320 0.000 0.000 0.216 492 A C 2.075 179.735 177.584 0.127 0.000 1.181 492 A CA 1.025 53.121 52.037 0.098 0.000 0.620 492 A CB -0.629 18.444 19.000 0.121 0.000 0.819 492 A HN 0.274 nan 8.150 nan 0.000 0.442 493 L N -1.060 120.268 121.223 0.174 0.000 2.046 493 L HA -0.153 4.187 4.340 0.000 0.000 0.208 493 L C 2.681 179.701 176.870 0.251 0.000 1.077 493 L CA 0.982 55.971 54.840 0.248 0.000 0.747 493 L CB -0.447 41.734 42.059 0.205 0.000 0.896 493 L HN 0.259 nan 8.230 nan 0.000 0.432 494 R N 0.442 121.035 120.500 0.156 0.000 2.241 494 R HA -0.125 4.216 4.340 0.000 0.000 0.224 494 R C 1.878 178.207 176.300 0.049 0.000 1.101 494 R CA 0.775 56.943 56.100 0.114 0.000 0.995 494 R CB -0.386 29.964 30.300 0.084 0.000 0.870 494 R HN 0.565 nan 8.270 nan 0.000 0.463 495 E N 0.097 120.313 120.200 0.027 0.000 2.150 495 E HA -0.155 4.195 4.350 0.000 0.000 0.193 495 E C 1.462 177.996 176.600 -0.110 0.000 0.985 495 E CA 0.784 57.167 56.400 -0.028 0.000 0.814 495 E CB 0.211 29.897 29.700 -0.023 0.000 0.752 495 E HN 0.244 nan 8.360 nan 0.000 0.466 496 Q N -0.988 118.696 119.800 -0.193 0.000 2.353 496 Q HA 0.144 4.484 4.340 0.000 0.000 0.240 496 Q C -0.242 175.298 176.000 -0.767 0.000 0.868 496 Q CA 0.344 55.834 55.803 -0.522 0.000 0.944 496 Q CB 0.753 29.030 28.738 -0.769 0.000 1.104 496 Q HN 0.131 nan 8.270 nan 0.000 0.531 497 F N 2.152 122.096 119.950 -0.010 0.000 2.434 497 F HA 0.424 4.951 4.527 0.000 0.000 0.355 497 F C -2.134 173.682 175.800 0.026 0.000 1.115 497 F CA -2.663 55.343 58.000 0.009 0.000 1.010 497 F CB 1.371 40.380 39.000 0.015 0.000 1.234 497 F HN -0.199 nan 8.300 nan 0.000 0.439 498 P HA 0.116 nan 4.420 nan 0.000 0.269 498 P C -2.318 175.056 177.300 0.124 0.000 1.215 498 P CA -0.889 62.266 63.100 0.093 0.000 0.780 498 P CB 0.021 31.750 31.700 0.048 0.000 0.898 499 P HA 0.053 nan 4.420 nan 0.000 0.271 499 P C -0.705 176.645 177.300 0.084 0.000 1.233 499 P CA -0.115 63.052 63.100 0.111 0.000 0.789 499 P CB 0.506 32.256 31.700 0.083 0.000 0.951 500 L N 1.633 122.906 121.223 0.084 0.000 2.352 500 L HA 0.168 4.508 4.340 0.000 0.000 0.272 500 L C 1.294 178.165 176.870 0.001 0.000 1.109 500 L CA 0.380 55.214 54.840 -0.010 0.000 0.952 500 L CB -0.600 41.357 42.059 -0.169 0.000 1.314 500 L HN 0.298 nan 8.230 nan 0.000 0.427 501 E N 1.021 121.226 120.200 0.008 0.000 2.230 501 E HA 0.018 4.368 4.350 0.000 0.000 0.192 501 E C 0.242 176.849 176.600 0.012 0.000 0.987 501 E CA 0.525 56.933 56.400 0.014 0.000 0.841 501 E CB 0.386 30.096 29.700 0.016 0.000 0.783 501 E HN 0.577 nan 8.360 nan 0.000 0.481 502 T N 0.073 114.624 114.554 -0.005 0.000 2.868 502 T HA 0.121 4.471 4.350 0.000 0.000 0.306 502 T C -1.788 172.889 174.700 -0.038 0.000 1.224 502 T CA -0.978 61.119 62.100 -0.005 0.000 1.012 502 T CB 1.415 70.282 68.868 -0.000 0.000 1.221 502 T HN -0.228 nan 8.240 nan 0.000 0.499 503 D N 2.693 123.069 120.400 -0.040 0.000 2.493 503 D HA 0.329 4.969 4.640 0.000 0.000 0.240 503 D C 0.542 176.803 176.300 -0.066 0.000 1.142 503 D CA 0.657 54.614 54.000 -0.072 0.000 0.872 503 D CB 0.351 41.115 40.800 -0.060 0.000 1.173 503 D HN 0.645 nan 8.370 nan 0.000 0.467 504 R N 0.583 121.032 120.500 -0.085 0.000 2.710 504 R HA 0.614 4.955 4.340 0.000 0.000 0.270 504 R C -3.133 173.133 176.300 -0.057 0.000 1.021 504 R CA -1.722 54.344 56.100 -0.057 0.000 0.889 504 R CB 0.387 30.663 30.300 -0.041 0.000 1.243 504 R HN -0.002 nan 8.270 nan 0.000 0.464 505 P HA 0.106 nan 4.420 nan 0.000 0.264 505 P C -0.285 177.010 177.300 -0.007 0.000 1.193 505 P CA -0.182 62.906 63.100 -0.021 0.000 0.763 505 P CB 0.579 32.273 31.700 -0.010 0.000 0.810 506 L N 1.699 122.921 121.223 -0.002 0.000 2.731 506 L HA 0.171 4.511 4.340 0.000 0.000 0.240 506 L C 2.318 179.212 176.870 0.039 0.000 1.120 506 L CA 0.394 55.250 54.840 0.027 0.000 0.913 506 L CB -0.331 41.748 42.059 0.034 0.000 1.213 506 L HN 0.533 nan 8.230 nan 0.000 0.515 507 G N 0.308 109.123 108.800 0.026 0.000 2.529 507 G HA2 -0.319 3.641 3.960 0.000 0.000 0.219 507 G HA3 -0.319 3.641 3.960 0.000 0.000 0.219 507 G C 1.407 176.326 174.900 0.032 0.000 1.177 507 G CA 0.828 45.942 45.100 0.024 0.000 0.773 507 G HN 0.384 nan 8.290 nan 0.000 0.573 508 Q N -0.190 119.634 119.800 0.040 0.000 2.167 508 Q HA -0.043 4.297 4.340 0.000 0.000 0.202 508 Q C 2.522 178.576 176.000 0.091 0.000 0.970 508 Q CA 1.170 57.004 55.803 0.052 0.000 0.855 508 Q CB -0.063 28.701 28.738 0.043 0.000 0.911 508 Q HN 0.626 nan 8.270 nan 0.000 0.438 509 E N 0.517 120.790 120.200 0.123 0.000 2.106 509 E HA -0.140 4.210 4.350 0.000 0.000 0.192 509 E C 1.900 178.540 176.600 0.067 0.000 0.984 509 E CA 0.705 57.246 56.400 0.235 0.000 0.806 509 E CB 0.016 29.884 29.700 0.281 0.000 0.750 509 E HN 0.341 nan 8.360 nan 0.000 0.458 510 I N 1.067 121.639 120.570 0.004 0.000 2.226 510 I HA -0.270 3.900 4.170 0.000 0.000 0.245 510 I C 2.512 178.600 176.117 -0.048 0.000 1.100 510 I CA 0.979 62.243 61.300 -0.060 0.000 1.374 510 I CB -0.250 37.737 38.000 -0.021 0.000 1.057 510 I HN 0.089 nan 8.210 nan 0.000 0.413 511 A N 0.624 123.446 122.820 0.002 0.000 1.902 511 A HA -0.136 4.184 4.320 0.000 0.000 0.217 511 A C 2.526 180.125 177.584 0.026 0.000 1.181 511 A CA 1.780 53.822 52.037 0.010 0.000 0.623 511 A CB -0.798 18.215 19.000 0.023 0.000 0.818 511 A HN 0.427 nan 8.150 nan 0.000 0.443 512 A N -0.624 122.241 122.820 0.075 0.000 1.898 512 A HA -0.000 4.320 4.320 0.000 0.000 0.216 512 A C 2.114 179.784 177.584 0.142 0.000 1.181 512 A CA 1.697 53.814 52.037 0.133 0.000 0.620 512 A CB -0.565 18.569 19.000 0.223 0.000 0.819 512 A HN 0.634 nan 8.150 nan 0.000 0.442 513 L N -0.287 120.962 121.223 0.043 0.000 2.093 513 L HA 0.019 4.359 4.340 0.000 0.000 0.208 513 L C 2.647 179.429 176.870 -0.147 0.000 1.085 513 L CA 1.993 56.755 54.840 -0.130 0.000 0.755 513 L CB -0.847 40.874 42.059 -0.563 0.000 0.904 513 L HN 0.338 nan 8.230 nan 0.000 0.435 514 A N -1.472 121.262 122.820 -0.143 0.000 1.908 514 A HA -0.224 4.096 4.320 0.000 0.000 0.218 514 A C 2.260 179.783 177.584 -0.101 0.000 1.181 514 A CA 2.346 54.290 52.037 -0.155 0.000 0.627 514 A CB -1.250 17.690 19.000 -0.099 0.000 0.818 514 A HN 0.495 nan 8.150 nan 0.000 0.445 515 T N -1.343 113.196 114.554 -0.025 0.000 2.759 515 T HA -0.189 4.162 4.350 0.000 0.000 0.269 515 T C 1.850 176.558 174.700 0.014 0.000 1.042 515 T CA 1.980 64.085 62.100 0.009 0.000 1.140 515 T CB -0.401 68.492 68.868 0.042 0.000 0.864 515 T HN 0.808 nan 8.240 nan 0.000 0.455 516 H N 1.041 120.070 119.070 -0.069 0.000 2.326 516 H HA 0.129 4.685 4.556 0.000 0.000 0.301 516 H C 2.014 177.268 175.328 -0.122 0.000 1.081 516 H CA 1.158 57.170 56.048 -0.060 0.000 1.334 516 H CB -0.484 29.265 29.762 -0.020 0.000 1.385 516 H HN 0.239 nan 8.280 nan 0.000 0.504 517 L N -0.003 121.020 121.223 -0.333 0.000 2.079 517 L HA -0.177 4.163 4.340 0.000 0.000 0.210 517 L C 2.307 179.015 176.870 -0.269 0.000 1.081 517 L CA 1.036 55.545 54.840 -0.552 0.000 0.752 517 L CB -0.509 41.049 42.059 -0.835 0.000 0.896 517 L HN 0.335 nan 8.230 nan 0.000 0.433 518 L N -0.762 120.346 121.223 -0.191 0.000 2.362 518 L HA -0.168 4.172 4.340 0.000 0.000 0.219 518 L C 2.194 179.030 176.870 -0.058 0.000 1.134 518 L CA 1.008 55.802 54.840 -0.077 0.000 0.807 518 L CB -0.200 41.847 42.059 -0.020 0.000 0.927 518 L HN 0.400 nan 8.230 nan 0.000 0.447 519 Q N -1.656 118.019 119.800 -0.208 0.000 2.280 519 Q HA 0.196 4.536 4.340 0.000 0.000 0.244 519 Q C 0.017 175.574 176.000 -0.737 0.000 0.847 519 Q CA 0.052 55.694 55.803 -0.269 0.000 0.945 519 Q CB 1.050 29.745 28.738 -0.071 0.000 1.115 519 Q HN 0.431 nan 8.270 nan 0.000 0.513 520 Q N 0.000 119.353 119.800 -0.746 0.000 2.389 520 Q HA 0.480 4.820 4.340 0.000 0.000 0.277 520 Q C -1.240 174.644 176.000 -0.194 0.000 1.082 520 Q CA -0.416 55.020 55.803 -0.611 0.000 0.810 520 Q CB 2.708 31.208 28.738 -0.397 0.000 1.374 520 Q HN -0.061 nan 8.270 nan 0.000 0.422 521 S N 2.009 117.660 115.700 -0.081 0.000 2.690 521 S HA 0.588 5.058 4.470 0.000 0.000 0.291 521 S C -2.407 171.971 174.600 -0.370 0.000 1.138 521 S CA -1.141 56.953 58.200 -0.177 0.000 1.013 521 S CB 0.909 64.060 63.200 -0.081 0.000 1.053 521 S HN 0.422 nan 8.310 nan 0.000 0.539 522 P HA 0.367 nan 4.420 nan 0.000 0.287 522 P C -0.832 176.267 177.300 -0.335 0.000 1.294 522 P CA -0.216 62.480 63.100 -0.673 0.000 0.776 522 P CB 0.592 31.605 31.700 -1.145 0.000 0.889 523 V N 0.000 119.814 119.914 -0.167 0.000 2.409 523 V HA 0.000 4.120 4.120 0.000 0.000 0.244 523 V CA 0.000 62.239 62.300 -0.102 0.000 1.235 523 V CB 0.000 31.777 31.823 -0.076 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556