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 2o6y_1_C DATA FIRST_RESID 8 DATA SEQUENCE KPAVELDRHI DLDQAHAVAS GGARIVLAPP ARDRCRASEA RLGAVIREAR DATA SEQUENCE HVYGLTTGFG PLANRLISGE NVRTLQANLV HHLASGVGPV 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 0.019 0.000 0.988 8 K CA 0.000 56.300 56.287 0.021 0.000 0.838 8 K CB 0.000 32.514 32.500 0.023 0.000 1.064 9 P HA 0.170 nan 4.420 nan 0.000 0.269 9 P C -1.449 175.860 177.300 0.015 0.000 1.217 9 P CA -0.420 62.692 63.100 0.019 0.000 0.783 9 P CB 0.766 32.480 31.700 0.025 0.000 0.898 10 A N 1.199 124.026 122.820 0.012 0.000 2.356 10 A HA 0.546 4.868 4.320 0.003 0.000 0.310 10 A C -0.982 176.606 177.584 0.006 0.000 1.075 10 A CA -0.590 51.451 52.037 0.007 0.000 0.746 10 A CB 1.184 20.187 19.000 0.006 0.000 1.221 10 A HN 0.320 nan 8.150 nan 0.000 0.443 11 V N 2.556 122.471 119.914 0.001 0.000 2.350 11 V HA 0.275 4.397 4.120 0.003 0.000 0.276 11 V C 0.302 176.394 176.094 -0.004 0.000 1.028 11 V CA -0.334 61.966 62.300 -0.001 0.000 0.860 11 V CB 1.186 33.004 31.823 -0.008 0.000 0.990 11 V HN 0.955 nan 8.190 nan 0.000 0.453 12 E N 4.587 124.787 120.200 0.001 0.000 2.130 12 E HA 0.342 4.694 4.350 0.003 0.000 0.284 12 E C -0.927 175.673 176.600 -0.001 0.000 1.018 12 E CA -0.769 55.631 56.400 0.000 0.000 0.817 12 E CB 1.206 30.909 29.700 0.004 0.000 1.078 12 E HN 0.561 nan 8.360 nan 0.000 0.396 13 L N 5.541 126.760 121.223 -0.007 0.000 2.260 13 L HA 0.271 4.613 4.340 0.003 0.000 0.289 13 L C -0.166 176.702 176.870 -0.002 0.000 1.057 13 L CA 0.438 55.272 54.840 -0.010 0.000 0.811 13 L CB 1.201 43.248 42.059 -0.021 0.000 1.184 13 L HN 0.705 nan 8.230 nan 0.000 0.429 14 D N 2.863 123.267 120.400 0.007 0.000 3.061 14 D HA 0.186 4.828 4.640 0.003 0.000 0.243 14 D C 1.341 177.651 176.300 0.016 0.000 1.572 14 D CA 0.746 54.753 54.000 0.012 0.000 1.269 14 D CB 0.715 41.526 40.800 0.019 0.000 1.023 14 D HN 0.579 nan 8.370 nan 0.000 0.280 15 R N -1.707 118.815 120.500 0.036 0.000 2.243 15 R HA 0.200 4.542 4.340 0.003 0.000 0.193 15 R C 0.201 176.548 176.300 0.078 0.000 0.933 15 R CA -0.131 55.997 56.100 0.047 0.000 1.105 15 R CB 0.568 30.899 30.300 0.052 0.000 1.169 15 R HN 0.222 nan 8.270 nan 0.000 0.599 16 H N 0.008 119.071 119.070 -0.012 0.000 2.524 16 H HA 0.561 5.119 4.556 0.003 0.000 0.353 16 H C -1.444 173.878 175.328 -0.010 0.000 1.136 16 H CA -0.662 55.378 56.048 -0.013 0.000 1.193 16 H CB 1.544 31.298 29.762 -0.012 0.000 1.558 16 H HN -0.001 nan 8.280 nan 0.000 0.515 17 I N 4.139 124.381 120.570 -0.548 0.000 2.619 17 I HA 0.251 4.423 4.170 0.003 0.000 0.292 17 I C -1.236 174.618 176.117 -0.438 0.000 1.100 17 I CA -0.865 60.250 61.300 -0.309 0.000 1.043 17 I CB 1.552 39.448 38.000 -0.172 0.000 1.239 17 I HN 0.846 nan 8.210 nan 0.000 0.420 18 D N 6.040 126.345 120.400 -0.159 0.000 2.387 18 D HA 0.218 4.860 4.640 0.003 0.000 0.251 18 D C 1.012 177.288 176.300 -0.041 0.000 1.141 18 D CA -0.547 53.414 54.000 -0.064 0.000 0.987 18 D CB 1.000 41.835 40.800 0.060 0.000 1.116 18 D HN 0.510 nan 8.370 nan 0.000 0.491 19 L N -0.309 120.913 121.223 -0.002 0.000 2.079 19 L HA -0.167 4.175 4.340 0.003 0.000 0.210 19 L C 1.545 178.458 176.870 0.071 0.000 1.081 19 L CA 1.477 56.335 54.840 0.030 0.000 0.752 19 L CB -0.484 41.604 42.059 0.049 0.000 0.896 19 L HN 0.454 nan 8.230 nan 0.000 0.433 20 D N -0.231 120.212 120.400 0.073 0.000 2.117 20 D HA -0.179 4.463 4.640 0.003 0.000 0.197 20 D C 2.331 178.682 176.300 0.085 0.000 0.987 20 D CA 1.117 55.181 54.000 0.105 0.000 0.829 20 D CB -0.143 40.708 40.800 0.085 0.000 0.961 20 D HN 0.420 nan 8.370 nan 0.000 0.460 21 Q N 0.404 120.230 119.800 0.044 0.000 2.084 21 Q HA -0.076 4.266 4.340 0.003 0.000 0.202 21 Q C 2.237 178.238 176.000 0.002 0.000 0.978 21 Q CA 1.377 57.192 55.803 0.021 0.000 0.844 21 Q CB -0.119 28.619 28.738 0.001 0.000 0.898 21 Q HN 0.207 nan 8.270 nan 0.000 0.426 22 A N 0.944 123.761 122.820 -0.005 0.000 1.877 22 A HA -0.248 4.074 4.320 0.003 0.000 0.216 22 A C 1.973 179.539 177.584 -0.030 0.000 1.186 22 A CA 1.664 53.685 52.037 -0.027 0.000 0.620 22 A CB -0.863 18.120 19.000 -0.029 0.000 0.822 22 A HN 0.455 nan 8.150 nan 0.000 0.443 23 H N 0.004 119.027 119.070 -0.078 0.000 2.423 23 H HA 0.006 4.564 4.556 0.003 0.000 0.297 23 H C 2.252 177.500 175.328 -0.134 0.000 1.075 23 H CA 1.480 57.443 56.048 -0.142 0.000 1.342 23 H CB -0.174 29.420 29.762 -0.280 0.000 1.395 23 H HN 0.408 nan 8.280 nan 0.000 0.530 24 A N 0.495 123.310 122.820 -0.009 0.000 1.908 24 A HA -0.116 4.206 4.320 0.003 0.000 0.218 24 A C 2.847 180.388 177.584 -0.071 0.000 1.181 24 A CA 1.725 53.757 52.037 -0.009 0.000 0.627 24 A CB -0.887 18.135 19.000 0.037 0.000 0.818 24 A HN 0.294 nan 8.150 nan 0.000 0.445 25 V N -0.327 119.537 119.914 -0.083 0.000 2.323 25 V HA -0.182 3.940 4.120 0.003 0.000 0.244 25 V C 3.049 179.044 176.094 -0.165 0.000 1.041 25 V CA 1.801 64.044 62.300 -0.094 0.000 1.025 25 V CB -1.196 30.578 31.823 -0.081 0.000 0.656 25 V HN 0.607 nan 8.190 nan 0.000 0.451 26 A N 0.768 123.449 122.820 -0.231 0.000 1.933 26 A HA -0.189 4.133 4.320 0.003 0.000 0.218 26 A C 2.388 179.743 177.584 -0.381 0.000 1.175 26 A CA 2.181 54.025 52.037 -0.320 0.000 0.628 26 A CB -0.621 18.198 19.000 -0.300 0.000 0.814 26 A HN 0.690 nan 8.150 nan 0.000 0.444 27 S N -2.094 113.405 115.700 -0.335 0.000 2.593 27 S HA 0.377 4.849 4.470 0.003 0.000 0.217 27 S C 1.392 176.120 174.600 0.215 0.000 0.966 27 S CA 1.021 59.176 58.200 -0.074 0.000 0.914 27 S CB -0.259 62.793 63.200 -0.248 0.000 0.776 27 S HN 1.922 nan 8.310 nan 0.000 0.523 28 G N 0.414 109.265 108.800 0.085 0.000 2.159 28 G HA2 -0.213 3.749 3.960 0.003 0.000 0.256 28 G HA3 -0.213 3.749 3.960 0.003 0.000 0.256 28 G C 0.837 175.805 174.900 0.112 0.000 0.977 28 G CA 0.112 45.322 45.100 0.184 0.000 0.652 28 G HN 0.971 nan 8.290 nan 0.000 0.531 29 G N -0.474 108.366 108.800 0.067 0.000 2.572 29 G HA2 0.571 4.533 3.960 0.003 0.000 0.216 29 G HA3 0.571 4.533 3.960 0.003 0.000 0.216 29 G C 0.629 175.554 174.900 0.043 0.000 1.133 29 G CA 1.683 46.819 45.100 0.060 0.000 0.791 29 G HN 1.820 nan 8.290 nan 0.000 0.538 30 A N -0.335 122.501 122.820 0.026 0.000 2.515 30 A HA 0.780 5.102 4.320 0.003 0.000 0.298 30 A C -0.219 177.368 177.584 0.006 0.000 1.059 30 A CA -0.852 51.195 52.037 0.017 0.000 0.698 30 A CB 1.516 20.523 19.000 0.013 0.000 1.289 30 A HN 0.211 nan 8.150 nan 0.000 0.404 31 R N 0.115 120.619 120.500 0.007 0.000 2.583 31 R HA 0.641 4.983 4.340 0.003 0.000 0.268 31 R C -0.657 175.638 176.300 -0.009 0.000 1.101 31 R CA -0.336 55.764 56.100 0.000 0.000 1.180 31 R CB 1.047 31.349 30.300 0.004 0.000 1.128 31 R HN 0.682 nan 8.270 nan 0.000 0.568 32 I N 0.732 121.293 120.570 -0.014 0.000 2.545 32 I HA 0.416 4.588 4.170 0.003 0.000 0.292 32 I C -1.399 174.709 176.117 -0.015 0.000 1.040 32 I CA -0.923 60.366 61.300 -0.019 0.000 1.068 32 I CB 1.948 39.929 38.000 -0.031 0.000 1.251 32 I HN 0.288 nan 8.210 nan 0.000 0.424 33 V N 7.980 127.887 119.914 -0.012 0.000 2.841 33 V HA 0.510 4.632 4.120 0.003 0.000 0.310 33 V C -1.484 174.603 176.094 -0.011 0.000 1.090 33 V CA -0.686 61.608 62.300 -0.010 0.000 0.930 33 V CB 2.129 33.949 31.823 -0.005 0.000 1.014 33 V HN 0.648 nan 8.190 nan 0.000 0.425 34 L N 6.580 127.797 121.223 -0.011 0.000 2.260 34 L HA 0.801 5.143 4.340 0.003 0.000 0.289 34 L C 0.692 177.558 176.870 -0.007 0.000 1.057 34 L CA 0.498 55.331 54.840 -0.011 0.000 0.811 34 L CB 0.853 42.904 42.059 -0.013 0.000 1.184 34 L HN 0.920 nan 8.230 nan 0.000 0.429 35 A N 6.868 129.686 122.820 -0.004 0.000 2.466 35 A HA 0.328 4.650 4.320 0.003 0.000 0.238 35 A C -1.583 175.999 177.584 -0.002 0.000 1.074 35 A CA -0.633 51.403 52.037 -0.001 0.000 0.774 35 A CB -0.405 18.596 19.000 0.002 0.000 1.015 35 A HN 0.790 nan 8.150 nan 0.000 0.498 36 P HA -0.143 nan 4.420 nan 0.000 0.215 36 P C -1.449 175.850 177.300 -0.001 0.000 1.157 36 P CA 1.840 64.939 63.100 -0.002 0.000 0.874 36 P CB -0.765 30.934 31.700 -0.001 0.000 0.790 37 P HA -0.159 nan 4.420 nan 0.000 0.216 37 P C 1.404 178.705 177.300 0.001 0.000 1.150 37 P CA 2.004 65.105 63.100 0.002 0.000 0.837 37 P CB -0.613 31.090 31.700 0.004 0.000 0.786 38 A N -0.231 122.589 122.820 0.000 0.000 1.898 38 A HA -0.169 4.153 4.320 0.003 0.000 0.216 38 A C 2.242 179.823 177.584 -0.005 0.000 1.181 38 A CA 1.256 53.292 52.037 -0.001 0.000 0.620 38 A CB -0.962 18.037 19.000 -0.002 0.000 0.819 38 A HN 0.045 nan 8.150 nan 0.000 0.442 39 R N -0.208 120.288 120.500 -0.007 0.000 2.096 39 R HA -0.116 4.226 4.340 0.003 0.000 0.235 39 R C 1.490 177.784 176.300 -0.011 0.000 1.127 39 R CA 1.464 57.558 56.100 -0.011 0.000 0.968 39 R CB -0.353 29.941 30.300 -0.011 0.000 0.861 39 R HN 0.490 nan 8.270 nan 0.000 0.440 40 D N 0.177 120.573 120.400 -0.007 0.000 2.117 40 D HA -0.110 4.532 4.640 0.003 0.000 0.198 40 D C 1.977 178.274 176.300 -0.004 0.000 0.982 40 D CA 1.078 55.074 54.000 -0.005 0.000 0.828 40 D CB -0.119 40.679 40.800 -0.003 0.000 0.967 40 D HN 0.178 nan 8.370 nan 0.000 0.464 41 R N 0.076 120.575 120.500 -0.001 0.000 2.096 41 R HA -0.068 4.274 4.340 0.003 0.000 0.235 41 R C 2.501 178.801 176.300 0.001 0.000 1.127 41 R CA 0.939 57.041 56.100 0.003 0.000 0.968 41 R CB -0.477 29.826 30.300 0.006 0.000 0.861 41 R HN 0.225 nan 8.270 nan 0.000 0.440 42 C N -0.140 119.157 119.300 -0.005 0.000 2.440 42 C HA -0.001 4.461 4.460 0.003 0.000 0.278 42 C C 2.580 177.557 174.990 -0.023 0.000 1.295 42 C CA 0.386 59.398 59.018 -0.011 0.000 1.738 42 C CB -0.771 26.959 27.740 -0.016 0.000 1.987 42 C HN 0.447 nan 8.230 nan 0.000 0.492 43 R N 0.839 121.325 120.500 -0.023 0.000 2.092 43 R HA -0.089 4.253 4.340 0.003 0.000 0.231 43 R C 2.360 178.645 176.300 -0.025 0.000 1.119 43 R CA 1.502 57.585 56.100 -0.029 0.000 0.970 43 R CB -0.383 29.904 30.300 -0.022 0.000 0.864 43 R HN 0.549 nan 8.270 nan 0.000 0.440 44 A N -0.043 122.768 122.820 -0.015 0.000 1.930 44 A HA -0.157 4.165 4.320 0.003 0.000 0.217 44 A C 2.135 179.709 177.584 -0.016 0.000 1.175 44 A CA 1.754 53.785 52.037 -0.011 0.000 0.627 44 A CB -0.483 18.516 19.000 -0.001 0.000 0.815 44 A HN 0.290 nan 8.150 nan 0.000 0.443 45 S N -0.871 114.821 115.700 -0.013 0.000 2.383 45 S HA -0.168 4.304 4.470 0.003 0.000 0.227 45 S C 1.997 176.552 174.600 -0.075 0.000 1.026 45 S CA 1.452 59.643 58.200 -0.016 0.000 0.981 45 S CB -0.305 62.908 63.200 0.023 0.000 0.818 45 S HN 0.676 nan 8.310 nan 0.000 0.472 46 E N 0.382 120.541 120.200 -0.068 0.000 2.077 46 E HA -0.124 4.228 4.350 0.003 0.000 0.193 46 E C 2.065 178.614 176.600 -0.085 0.000 0.989 46 E CA 1.052 57.398 56.400 -0.089 0.000 0.800 46 E CB -0.329 29.321 29.700 -0.084 0.000 0.746 46 E HN 0.599 nan 8.360 nan 0.000 0.452 47 A N 1.236 124.020 122.820 -0.060 0.000 1.930 47 A HA -0.144 4.178 4.320 0.003 0.000 0.217 47 A C 2.146 179.688 177.584 -0.070 0.000 1.175 47 A CA 1.157 53.166 52.037 -0.047 0.000 0.627 47 A CB -0.379 18.605 19.000 -0.027 0.000 0.815 47 A HN 0.158 nan 8.150 nan 0.000 0.443 48 R N -1.181 119.267 120.500 -0.088 0.000 2.081 48 R HA -0.109 4.233 4.340 0.003 0.000 0.235 48 R C 2.105 178.270 176.300 -0.226 0.000 1.131 48 R CA 1.436 57.473 56.100 -0.106 0.000 0.960 48 R CB -0.587 29.676 30.300 -0.062 0.000 0.856 48 R HN 0.506 nan 8.270 nan 0.000 0.436 49 L N 0.545 121.548 121.223 -0.365 0.000 2.046 49 L HA -0.026 4.316 4.340 0.003 0.000 0.208 49 L C 2.124 178.854 176.870 -0.232 0.000 1.077 49 L CA 2.088 56.620 54.840 -0.513 0.000 0.747 49 L CB -0.992 40.768 42.059 -0.499 0.000 0.896 49 L HN 0.159 nan 8.230 nan 0.000 0.432 50 G N -0.958 107.762 108.800 -0.133 0.000 2.440 50 G HA2 -0.283 3.679 3.960 0.003 0.000 0.218 50 G HA3 -0.283 3.679 3.960 0.003 0.000 0.218 50 G C 1.587 176.457 174.900 -0.050 0.000 1.154 50 G CA 0.882 45.945 45.100 -0.062 0.000 0.767 50 G HN 0.648 nan 8.290 nan 0.000 0.552 51 A N -0.025 122.763 122.820 -0.054 0.000 1.930 51 A HA 0.139 4.461 4.320 0.003 0.000 0.217 51 A C 2.593 180.168 177.584 -0.015 0.000 1.175 51 A CA 1.648 53.669 52.037 -0.026 0.000 0.627 51 A CB -0.572 18.417 19.000 -0.018 0.000 0.815 51 A HN 0.247 nan 8.150 nan 0.000 0.443 52 V N 0.310 120.203 119.914 -0.035 0.000 2.332 52 V HA -0.285 3.837 4.120 0.003 0.000 0.248 52 V C 2.413 178.522 176.094 0.025 0.000 1.055 52 V CA 2.139 64.447 62.300 0.013 0.000 1.038 52 V CB -0.620 31.209 31.823 0.010 0.000 0.651 52 V HN 0.581 nan 8.190 nan 0.000 0.450 53 I N -0.753 119.813 120.570 -0.007 0.000 2.252 53 I HA -0.204 3.968 4.170 0.003 0.000 0.245 53 I C 2.740 178.862 176.117 0.008 0.000 1.102 53 I CA 1.416 62.720 61.300 0.007 0.000 1.385 53 I CB -0.444 37.551 38.000 -0.009 0.000 1.064 53 I HN 0.203 nan 8.210 nan 0.000 0.414 54 R N 0.837 121.337 120.500 -0.001 0.000 2.081 54 R HA -0.180 4.162 4.340 0.003 0.000 0.235 54 R C 1.872 178.178 176.300 0.009 0.000 1.131 54 R CA 1.418 57.519 56.100 0.001 0.000 0.960 54 R CB -0.323 29.976 30.300 -0.003 0.000 0.856 54 R HN 0.450 nan 8.270 nan 0.000 0.436 55 E N -0.068 120.142 120.200 0.017 0.000 2.482 55 E HA 0.045 4.397 4.350 0.003 0.000 0.196 55 E C 0.414 177.033 176.600 0.033 0.000 1.047 55 E CA 0.390 56.805 56.400 0.025 0.000 0.869 55 E CB 0.290 30.009 29.700 0.033 0.000 0.836 55 E HN 0.357 nan 8.360 nan 0.000 0.520 56 A N 1.754 124.594 122.820 0.034 0.000 2.822 56 A HA -0.230 4.092 4.320 0.003 0.000 0.287 56 A C 0.039 177.661 177.584 0.064 0.000 1.479 56 A CA 0.542 52.601 52.037 0.038 0.000 0.779 56 A CB -1.362 17.649 19.000 0.018 0.000 1.022 56 A HN 0.124 nan 8.150 nan 0.000 0.532 57 R N 0.109 120.663 120.500 0.091 0.000 2.679 57 R HA 0.105 4.447 4.340 0.003 0.000 0.268 57 R C 0.517 176.933 176.300 0.193 0.000 1.044 57 R CA -0.049 56.131 56.100 0.134 0.000 1.105 57 R CB 0.066 30.455 30.300 0.149 0.000 0.989 57 R HN 0.717 nan 8.270 nan 0.000 0.447 58 H N 1.698 120.813 119.070 0.074 0.000 3.089 58 H HA 0.229 4.787 4.556 0.003 0.000 0.262 58 H C -0.900 174.503 175.328 0.126 0.000 1.160 58 H CA -0.399 55.685 56.048 0.060 0.000 1.482 58 H CB 0.219 29.990 29.762 0.015 0.000 1.511 58 H HN 0.046 nan 8.280 nan 0.000 0.483 59 V N 6.296 126.411 119.914 0.335 0.000 2.686 59 V HA 0.002 4.124 4.120 0.003 0.000 0.306 59 V C -0.756 175.564 176.094 0.376 0.000 1.065 59 V CA -1.003 61.529 62.300 0.386 0.000 0.894 59 V CB 1.396 33.440 31.823 0.368 0.000 1.004 59 V HN 0.656 nan 8.190 nan 0.000 0.424 60 Y N 3.708 124.248 120.300 0.400 0.000 2.805 60 Y HA 0.358 4.910 4.550 0.003 0.000 0.331 60 Y C 1.365 177.361 175.900 0.160 0.000 1.241 60 Y CA 1.934 60.160 58.100 0.210 0.000 1.546 60 Y CB 0.516 39.148 38.460 0.286 0.000 1.248 60 Y HN 1.056 nan 8.280 nan 0.000 0.559 61 G N 4.020 112.567 108.800 -0.420 0.000 2.225 61 G HA2 -0.303 3.659 3.960 0.003 0.000 0.254 61 G HA3 -0.303 3.659 3.960 0.003 0.000 0.254 61 G C 0.624 175.516 174.900 -0.015 0.000 0.988 61 G CA 0.567 45.545 45.100 -0.203 0.000 0.625 61 G HN 0.668 nan 8.290 nan 0.000 0.527 62 L N -0.086 121.155 121.223 0.030 0.000 2.467 62 L HA 0.290 4.632 4.340 0.003 0.000 0.213 62 L C 2.230 179.110 176.870 0.018 0.000 1.053 62 L CA 1.595 56.473 54.840 0.064 0.000 0.847 62 L CB 0.429 42.569 42.059 0.135 0.000 1.075 62 L HN 0.442 nan 8.230 nan 0.000 0.479 63 T N -4.064 110.498 114.554 0.015 0.000 3.332 63 T HA 0.192 4.544 4.350 0.003 0.000 0.304 63 T C 0.263 174.931 174.700 -0.054 0.000 0.971 63 T CA 0.085 62.181 62.100 -0.006 0.000 0.954 63 T CB 0.039 68.933 68.868 0.043 0.000 1.175 63 T HN 0.191 nan 8.240 nan 0.000 0.519 64 T N -1.875 112.591 114.554 -0.146 0.000 2.864 64 T HA 0.775 5.127 4.350 0.003 0.000 0.299 64 T C 0.522 174.912 174.700 -0.516 0.000 1.166 64 T CA -0.306 61.665 62.100 -0.215 0.000 1.007 64 T CB 1.456 70.274 68.868 -0.082 0.000 1.219 64 T HN 0.283 nan 8.240 nan 0.000 0.506 65 G N -0.090 108.449 108.800 -0.434 0.000 2.553 65 G HA2 0.569 4.531 3.960 0.003 0.000 0.278 65 G HA3 0.569 4.531 3.960 0.003 0.000 0.278 65 G C -1.073 173.325 174.900 -0.838 0.000 1.349 65 G CA -0.806 43.950 45.100 -0.573 0.000 1.037 65 G HN 0.559 nan 8.290 nan 0.000 0.508 66 F N -0.832 119.048 119.950 -0.116 0.000 2.470 66 F HA 0.607 5.136 4.527 0.003 0.000 0.329 66 F C 1.160 177.029 175.800 0.115 0.000 1.072 66 F CA 0.390 58.363 58.000 -0.045 0.000 0.989 66 F CB 1.418 40.428 39.000 0.017 0.000 1.193 66 F HN 1.027 nan 8.300 nan 0.000 0.481 67 G N 2.007 111.096 108.800 0.482 0.000 2.596 67 G HA2 -0.287 3.675 3.960 0.003 0.000 0.295 67 G HA3 -0.287 3.675 3.960 0.003 0.000 0.295 67 G C -1.894 173.118 174.900 0.188 0.000 1.240 67 G CA -0.094 45.168 45.100 0.269 0.000 0.985 67 G HN 0.515 nan 8.290 nan 0.000 0.555 68 P HA 0.115 nan 4.420 nan 0.000 0.225 68 P C 1.749 179.082 177.300 0.056 0.000 1.148 68 P CA 0.821 63.964 63.100 0.072 0.000 0.779 68 P CB -0.077 31.651 31.700 0.047 0.000 0.780 69 L N -1.588 119.666 121.223 0.051 0.000 2.627 69 L HA 0.136 4.478 4.340 0.003 0.000 0.233 69 L C 1.993 178.854 176.870 -0.016 0.000 1.144 69 L CA 0.113 54.958 54.840 0.009 0.000 0.892 69 L CB -0.696 41.357 42.059 -0.010 0.000 1.039 69 L HN -0.039 nan 8.230 nan 0.000 0.442 70 A N 1.259 124.101 122.820 0.037 0.000 2.172 70 A HA -0.157 4.165 4.320 0.003 0.000 0.216 70 A C 1.963 179.571 177.584 0.040 0.000 1.154 70 A CA 1.267 53.325 52.037 0.035 0.000 0.701 70 A CB -0.493 18.635 19.000 0.214 0.000 0.789 70 A HN 0.641 nan 8.150 nan 0.000 0.465 71 N N -0.474 118.244 118.700 0.029 0.000 2.515 71 N HA -0.039 4.703 4.740 0.003 0.000 0.185 71 N C 0.038 175.540 175.510 -0.013 0.000 1.109 71 N CA 0.269 53.332 53.050 0.022 0.000 0.903 71 N CB -0.221 38.278 38.487 0.020 0.000 0.969 71 N HN 0.176 nan 8.380 nan 0.000 0.450 72 R N 0.984 121.464 120.500 -0.034 0.000 2.205 72 R HA 0.386 4.728 4.340 0.003 0.000 0.342 72 R C -0.247 176.005 176.300 -0.080 0.000 1.058 72 R CA -0.270 55.797 56.100 -0.055 0.000 0.904 72 R CB 0.699 30.965 30.300 -0.057 0.000 1.089 72 R HN 0.156 nan 8.270 nan 0.000 0.471 73 L N 4.225 125.397 121.223 -0.086 0.000 2.371 73 L HA 0.370 4.712 4.340 0.003 0.000 0.272 73 L C 0.081 176.895 176.870 -0.093 0.000 1.124 73 L CA -0.445 54.329 54.840 -0.110 0.000 0.816 73 L CB 0.627 42.595 42.059 -0.152 0.000 1.129 73 L HN 0.349 nan 8.230 nan 0.000 0.448 74 I N 1.585 122.099 120.570 -0.093 0.000 2.441 74 I HA 0.223 4.395 4.170 0.003 0.000 0.295 74 I C 0.376 176.460 176.117 -0.054 0.000 0.994 74 I CA -0.254 61.002 61.300 -0.074 0.000 1.144 74 I CB 1.681 39.628 38.000 -0.088 0.000 1.314 74 I HN 0.509 nan 8.210 nan 0.000 0.445 75 S N 3.055 118.730 115.700 -0.041 0.000 2.565 75 S HA 0.349 4.821 4.470 0.003 0.000 0.276 75 S C 1.479 176.065 174.600 -0.023 0.000 1.326 75 S CA 0.075 58.257 58.200 -0.030 0.000 1.045 75 S CB 1.189 64.373 63.200 -0.026 0.000 0.918 75 S HN 0.887 nan 8.310 nan 0.000 0.505 76 G N 3.148 111.938 108.800 -0.017 0.000 2.503 76 G HA2 -0.278 3.684 3.960 0.003 0.000 0.221 76 G HA3 -0.278 3.684 3.960 0.003 0.000 0.221 76 G C 1.278 176.171 174.900 -0.011 0.000 1.131 76 G CA 1.199 46.292 45.100 -0.011 0.000 0.756 76 G HN 0.920 nan 8.290 nan 0.000 0.572 77 E N 0.520 120.713 120.200 -0.012 0.000 2.338 77 E HA -0.091 4.261 4.350 0.003 0.000 0.197 77 E C 1.057 177.652 176.600 -0.009 0.000 1.007 77 E CA 0.807 57.200 56.400 -0.011 0.000 0.849 77 E CB -0.275 29.419 29.700 -0.011 0.000 0.774 77 E HN 0.391 nan 8.360 nan 0.000 0.506 78 N N 0.714 119.408 118.700 -0.010 0.000 2.203 78 N HA 0.061 4.803 4.740 0.003 0.000 0.207 78 N C 1.482 176.991 175.510 -0.001 0.000 1.130 78 N CA 0.118 53.165 53.050 -0.006 0.000 0.861 78 N CB 1.018 39.499 38.487 -0.009 0.000 1.005 78 N HN 0.028 nan 8.380 nan 0.000 0.507 79 V N 1.083 120.996 119.914 -0.002 0.000 2.407 79 V HA -0.175 3.947 4.120 0.003 0.000 0.248 79 V C 2.407 178.512 176.094 0.018 0.000 1.055 79 V CA 1.336 63.641 62.300 0.008 0.000 1.049 79 V CB -0.211 31.617 31.823 0.009 0.000 0.662 79 V HN 0.211 nan 8.190 nan 0.000 0.455 80 R N 0.251 120.755 120.500 0.007 0.000 2.073 80 R HA -0.116 4.226 4.340 0.003 0.000 0.234 80 R C 2.387 178.689 176.300 0.004 0.000 1.134 80 R CA 1.950 58.052 56.100 0.003 0.000 0.952 80 R CB -1.411 28.886 30.300 -0.004 0.000 0.850 80 R HN 0.511 nan 8.270 nan 0.000 0.433 81 T N 2.341 116.902 114.554 0.011 0.000 2.746 81 T HA -0.122 4.230 4.350 0.003 0.000 0.267 81 T C 1.879 176.600 174.700 0.035 0.000 1.039 81 T CA 1.084 63.195 62.100 0.019 0.000 1.142 81 T CB -0.302 68.582 68.868 0.026 0.000 0.866 81 T HN 0.086 nan 8.240 nan 0.000 0.444 82 L N 1.390 122.643 121.223 0.051 0.000 1.990 82 L HA -0.169 4.173 4.340 0.003 0.000 0.213 82 L C 2.388 179.368 176.870 0.183 0.000 1.072 82 L CA 1.873 56.779 54.840 0.110 0.000 0.755 82 L CB -0.657 41.436 42.059 0.057 0.000 0.889 82 L HN 0.258 nan 8.230 nan 0.000 0.432 83 Q N -0.964 118.903 119.800 0.112 0.000 2.230 83 Q HA -0.049 4.293 4.340 0.003 0.000 0.202 83 Q C 2.186 178.140 176.000 -0.076 0.000 0.963 83 Q CA 1.063 56.904 55.803 0.064 0.000 0.866 83 Q CB -0.231 28.539 28.738 0.053 0.000 0.931 83 Q HN 0.711 nan 8.270 nan 0.000 0.452 84 A N 1.663 124.419 122.820 -0.106 0.000 1.897 84 A HA -0.153 4.169 4.320 0.003 0.000 0.215 84 A C 1.728 179.029 177.584 -0.473 0.000 1.181 84 A CA 1.227 53.095 52.037 -0.282 0.000 0.620 84 A CB -0.254 18.624 19.000 -0.203 0.000 0.821 84 A HN 0.243 nan 8.150 nan 0.000 0.443 85 N N -0.232 118.365 118.700 -0.173 0.000 2.396 85 N HA -0.073 4.669 4.740 0.003 0.000 0.180 85 N C 1.490 177.013 175.510 0.021 0.000 1.028 85 N CA 1.005 54.047 53.050 -0.014 0.000 0.893 85 N CB -0.381 38.192 38.487 0.143 0.000 0.967 85 N HN 0.465 nan 8.380 nan 0.000 0.440 86 L N 0.667 121.832 121.223 -0.096 0.000 1.994 86 L HA -0.077 4.265 4.340 0.003 0.000 0.208 86 L C 1.888 178.441 176.870 -0.528 0.000 1.071 86 L CA 1.467 56.074 54.840 -0.388 0.000 0.745 86 L CB -0.727 40.940 42.059 -0.654 0.000 0.892 86 L HN -0.124 nan 8.230 nan 0.000 0.431 87 V N -0.124 119.559 119.914 -0.386 0.000 2.343 87 V HA -0.346 3.776 4.120 0.003 0.000 0.247 87 V C 2.417 178.365 176.094 -0.243 0.000 1.051 87 V CA 2.258 64.358 62.300 -0.335 0.000 1.036 87 V CB -1.034 30.622 31.823 -0.279 0.000 0.654 87 V HN 0.632 nan 8.190 nan 0.000 0.451 88 H N -0.370 118.590 119.070 -0.183 0.000 2.293 88 H HA -0.192 4.366 4.556 0.003 0.000 0.300 88 H C 2.356 177.618 175.328 -0.110 0.000 1.082 88 H CA 1.707 57.682 56.048 -0.121 0.000 1.308 88 H CB -0.232 29.507 29.762 -0.037 0.000 1.375 88 H HN 0.671 nan 8.280 nan 0.000 0.495 89 H N 0.544 119.639 119.070 0.041 0.000 2.491 89 H HA -0.043 4.515 4.556 0.003 0.000 0.290 89 H C 1.819 177.120 175.328 -0.045 0.000 1.050 89 H CA 0.813 56.859 56.048 -0.003 0.000 1.309 89 H CB -0.196 29.567 29.762 0.002 0.000 1.392 89 H HN 0.337 nan 8.280 nan 0.000 0.554 90 L N 0.871 121.796 121.223 -0.496 0.000 2.418 90 L HA 0.162 4.504 4.340 0.003 0.000 0.218 90 L C 1.875 178.609 176.870 -0.226 0.000 1.125 90 L CA 0.354 54.976 54.840 -0.363 0.000 0.835 90 L CB -0.007 41.765 42.059 -0.479 0.000 0.953 90 L HN 0.255 nan 8.230 nan 0.000 0.454 91 A N 0.096 122.745 122.820 -0.285 0.000 3.074 91 A HA 0.159 4.481 4.320 0.003 0.000 0.251 91 A C 1.230 178.756 177.584 -0.096 0.000 1.695 91 A CA 0.249 51.986 52.037 -0.501 0.000 1.343 91 A CB -0.643 17.999 19.000 -0.598 0.000 1.078 91 A HN 0.353 nan 8.150 nan 0.000 0.644 92 S N -0.584 115.162 115.700 0.077 0.000 2.575 92 S HA 0.368 4.840 4.470 0.003 0.000 0.237 92 S C 0.883 175.585 174.600 0.169 0.000 0.975 92 S CA 0.087 58.359 58.200 0.120 0.000 0.960 92 S CB 0.045 63.287 63.200 0.069 0.000 0.822 92 S HN 0.749 nan 8.310 nan 0.000 0.472 93 G N 1.531 110.543 108.800 0.353 0.000 2.544 93 G HA2 0.498 4.460 3.960 0.003 0.000 0.242 93 G HA3 0.498 4.460 3.960 0.003 0.000 0.242 93 G C -0.140 174.736 174.900 -0.040 0.000 1.247 93 G CA 0.113 45.264 45.100 0.086 0.000 0.840 93 G HN 1.043 nan 8.290 nan 0.000 0.578 94 V N -0.938 118.943 119.914 -0.056 0.000 3.182 94 V HA 1.034 5.156 4.120 0.003 0.000 0.308 94 V C 0.541 176.600 176.094 -0.059 0.000 1.240 94 V CA -0.069 62.199 62.300 -0.053 0.000 1.063 94 V CB 1.136 32.949 31.823 -0.017 0.000 1.076 94 V HN 2.560 nan 8.190 nan 0.000 0.446 95 G N 0.691 109.463 108.800 -0.045 0.000 2.661 95 G HA2 0.065 4.027 3.960 0.003 0.000 0.685 95 G HA3 0.065 4.027 3.960 0.003 0.000 0.685 95 G C -3.064 171.812 174.900 -0.041 0.000 1.298 95 G CA -0.345 44.733 45.100 -0.035 0.000 0.855 95 G HN 0.999 nan 8.290 nan 0.000 0.560 96 P HA 0.382 nan 4.420 nan 0.000 0.267 96 P C 0.777 178.059 177.300 -0.029 0.000 1.200 96 P CA 0.086 63.175 63.100 -0.019 0.000 0.772 96 P CB 0.705 32.403 31.700 -0.004 0.000 0.855 97 V N 1.565 121.463 119.914 -0.027 0.000 2.924 97 V HA 0.174 4.296 4.120 0.003 0.000 0.305 97 V C 0.324 176.413 176.094 -0.009 0.000 1.073 97 V CA -0.618 61.660 62.300 -0.035 0.000 1.098 97 V CB -0.249 31.558 31.823 -0.028 0.000 1.000 97 V HN 0.254 nan 8.190 nan 0.000 0.484 98 L N 2.748 123.962 121.223 -0.015 0.000 2.483 98 L HA 0.236 4.578 4.340 0.003 0.000 0.276 98 L C 0.685 177.577 176.870 0.036 0.000 1.213 98 L CA -0.166 54.678 54.840 0.006 0.000 0.843 98 L CB 0.151 42.204 42.059 -0.009 0.000 1.107 98 L HN 1.031 nan 8.230 nan 0.000 0.487 99 D N -0.022 120.416 120.400 0.062 0.000 2.361 99 D HA -0.121 4.521 4.640 0.003 0.000 0.239 99 D C 0.702 177.095 176.300 0.156 0.000 1.200 99 D CA -0.416 53.653 54.000 0.115 0.000 0.915 99 D CB 0.502 41.376 40.800 0.123 0.000 1.170 99 D HN 0.548 nan 8.370 nan 0.000 0.444 100 W N 1.084 122.388 121.300 0.007 0.000 2.302 100 W HA -0.289 4.373 4.660 0.003 0.000 0.320 100 W C 2.183 178.698 176.519 -0.008 0.000 1.241 100 W CA 2.686 60.035 57.345 0.006 0.000 1.264 100 W CB -0.792 28.674 29.460 0.010 0.000 1.154 100 W HN 0.436 nan 8.180 nan 0.000 0.483 101 T N -0.289 114.406 114.554 0.235 0.000 2.746 101 T HA -0.209 4.143 4.350 0.003 0.000 0.267 101 T C 1.560 176.192 174.700 -0.114 0.000 1.039 101 T CA 2.268 64.355 62.100 -0.022 0.000 1.142 101 T CB -0.869 68.075 68.868 0.126 0.000 0.866 101 T HN 0.186 nan 8.240 nan 0.000 0.444 102 T N 1.898 116.441 114.554 -0.017 0.000 2.777 102 T HA 0.051 4.403 4.350 0.003 0.000 0.266 102 T C 2.432 177.091 174.700 -0.070 0.000 1.040 102 T CA 1.040 63.126 62.100 -0.023 0.000 1.141 102 T CB -0.495 68.388 68.868 0.024 0.000 0.868 102 T HN 0.424 nan 8.240 nan 0.000 0.444 103 A N 1.788 124.556 122.820 -0.087 0.000 1.902 103 A HA -0.100 4.222 4.320 0.003 0.000 0.217 103 A C 2.369 179.854 177.584 -0.166 0.000 1.181 103 A CA 1.358 53.331 52.037 -0.108 0.000 0.623 103 A CB -0.451 18.491 19.000 -0.097 0.000 0.818 103 A HN 0.396 nan 8.150 nan 0.000 0.443 104 R N -0.575 119.760 120.500 -0.276 0.000 2.115 104 R HA 0.006 4.348 4.340 0.003 0.000 0.230 104 R C 2.390 178.559 176.300 -0.217 0.000 1.111 104 R CA 1.026 56.936 56.100 -0.317 0.000 0.976 104 R CB -0.396 29.564 30.300 -0.566 0.000 0.870 104 R HN 0.504 nan 8.270 nan 0.000 0.445 105 A N 1.074 123.784 122.820 -0.183 0.000 1.972 105 A HA -0.178 4.144 4.320 0.003 0.000 0.219 105 A C 2.097 179.628 177.584 -0.087 0.000 1.169 105 A CA 1.249 53.212 52.037 -0.123 0.000 0.635 105 A CB -0.423 18.529 19.000 -0.081 0.000 0.810 105 A HN 0.328 nan 8.150 nan 0.000 0.446 106 M N -0.353 119.198 119.600 -0.081 0.000 2.099 106 M HA -0.105 4.377 4.480 0.003 0.000 0.262 106 M C 1.872 178.134 176.300 -0.063 0.000 1.067 106 M CA 1.891 57.156 55.300 -0.059 0.000 1.124 106 M CB -0.214 32.355 32.600 -0.051 0.000 1.353 106 M HN 0.183 nan 8.290 nan 0.000 0.410 107 V N 1.173 121.039 119.914 -0.080 0.000 2.332 107 V HA -0.281 3.841 4.120 0.003 0.000 0.248 107 V C 2.435 178.489 176.094 -0.067 0.000 1.055 107 V CA 1.776 64.034 62.300 -0.071 0.000 1.038 107 V CB -0.967 30.806 31.823 -0.083 0.000 0.651 107 V HN 0.583 nan 8.190 nan 0.000 0.450 108 L N 0.933 122.106 121.223 -0.083 0.000 2.046 108 L HA -0.091 4.251 4.340 0.003 0.000 0.208 108 L C 2.460 179.293 176.870 -0.061 0.000 1.077 108 L CA 2.392 57.186 54.840 -0.076 0.000 0.747 108 L CB -1.016 40.988 42.059 -0.092 0.000 0.896 108 L HN 0.221 nan 8.230 nan 0.000 0.432 109 A N -0.462 122.324 122.820 -0.058 0.000 1.908 109 A HA -0.275 4.047 4.320 0.003 0.000 0.218 109 A C 2.465 180.026 177.584 -0.038 0.000 1.181 109 A CA 1.913 53.922 52.037 -0.048 0.000 0.627 109 A CB -0.622 18.353 19.000 -0.042 0.000 0.818 109 A HN 0.490 nan 8.150 nan 0.000 0.445 110 R N -0.681 119.799 120.500 -0.034 0.000 2.075 110 R HA -0.068 4.274 4.340 0.003 0.000 0.232 110 R C 1.942 178.228 176.300 -0.023 0.000 1.126 110 R CA 1.529 57.615 56.100 -0.024 0.000 0.963 110 R CB -0.665 29.621 30.300 -0.022 0.000 0.858 110 R HN 0.439 nan 8.270 nan 0.000 0.435 111 L N -0.088 121.117 121.223 -0.031 0.000 2.046 111 L HA -0.103 4.239 4.340 0.003 0.000 0.208 111 L C 1.901 178.754 176.870 -0.028 0.000 1.077 111 L CA 1.632 56.455 54.840 -0.029 0.000 0.747 111 L CB -0.487 41.550 42.059 -0.036 0.000 0.896 111 L HN 0.073 nan 8.230 nan 0.000 0.432 112 V N -1.052 118.840 119.914 -0.037 0.000 2.407 112 V HA -0.270 3.852 4.120 0.003 0.000 0.248 112 V C 2.763 178.839 176.094 -0.029 0.000 1.055 112 V CA 1.783 64.059 62.300 -0.040 0.000 1.049 112 V CB -0.823 30.965 31.823 -0.059 0.000 0.662 112 V HN 0.645 nan 8.190 nan 0.000 0.455 113 S N -0.272 115.414 115.700 -0.024 0.000 2.356 113 S HA -0.152 4.320 4.470 0.003 0.000 0.223 113 S C 1.940 176.538 174.600 -0.003 0.000 1.032 113 S CA 1.710 59.901 58.200 -0.015 0.000 1.005 113 S CB -0.351 62.843 63.200 -0.010 0.000 0.867 113 S HN 0.517 nan 8.310 nan 0.000 0.449 114 I N 1.749 122.318 120.570 -0.001 0.000 2.264 114 I HA -0.179 3.993 4.170 0.003 0.000 0.248 114 I C 2.697 178.817 176.117 0.005 0.000 1.111 114 I CA 1.104 62.409 61.300 0.008 0.000 1.382 114 I CB -0.491 37.511 38.000 0.003 0.000 1.060 114 I HN 0.385 nan 8.210 nan 0.000 0.418 115 A N 0.054 122.871 122.820 -0.005 0.000 2.131 115 A HA -0.206 4.116 4.320 0.003 0.000 0.220 115 A C 2.117 179.702 177.584 0.002 0.000 1.158 115 A CA 1.202 53.236 52.037 -0.005 0.000 0.665 115 A CB -0.333 18.660 19.000 -0.011 0.000 0.795 115 A HN 0.415 nan 8.150 nan 0.000 0.460 116 Q N -1.232 118.571 119.800 0.004 0.000 2.369 116 Q HA 0.065 4.407 4.340 0.003 0.000 0.206 116 Q C 1.273 177.282 176.000 0.015 0.000 0.963 116 Q CA 0.882 56.690 55.803 0.009 0.000 0.894 116 Q CB -0.534 28.207 28.738 0.005 0.000 0.965 116 Q HN 1.098 nan 8.270 nan 0.000 0.475 117 G N 0.227 109.040 108.800 0.021 0.000 2.204 117 G HA2 -0.183 3.779 3.960 0.003 0.000 0.244 117 G HA3 -0.183 3.779 3.960 0.003 0.000 0.244 117 G C 0.441 175.374 174.900 0.055 0.000 1.062 117 G CA 0.377 45.495 45.100 0.030 0.000 0.798 117 G HN 0.530 nan 8.290 nan 0.000 0.496 118 A N -0.962 121.902 122.820 0.073 0.000 2.635 118 A HA 0.725 5.047 4.320 0.003 0.000 0.279 118 A C 1.655 179.360 177.584 0.202 0.000 1.122 118 A CA 1.390 53.497 52.037 0.117 0.000 0.965 118 A CB 0.262 19.293 19.000 0.051 0.000 1.221 118 A HN 0.773 nan 8.150 nan 0.000 0.566 119 S N -1.085 114.726 115.700 0.184 0.000 2.502 119 S HA 0.358 4.830 4.470 0.003 0.000 0.215 119 S C 1.563 176.331 174.600 0.281 0.000 1.009 119 S CA 0.731 59.069 58.200 0.231 0.000 0.908 119 S CB 0.377 63.645 63.200 0.113 0.000 0.801 119 S HN 1.660 nan 8.310 nan 0.000 0.505 120 G N 1.857 110.741 108.800 0.141 0.000 2.162 120 G HA2 -0.239 3.723 3.960 0.003 0.000 0.260 120 G HA3 -0.239 3.723 3.960 0.003 0.000 0.260 120 G C 0.236 175.114 174.900 -0.037 0.000 0.976 120 G CA 0.031 45.106 45.100 -0.041 0.000 0.655 120 G HN 0.898 nan 8.290 nan 0.000 0.533 121 A N 0.455 123.274 122.820 -0.000 0.000 2.540 121 A HA 0.591 4.913 4.320 0.003 0.000 0.239 121 A C 1.163 178.695 177.584 -0.087 0.000 1.061 121 A CA 1.051 53.071 52.037 -0.029 0.000 0.758 121 A CB 0.170 19.163 19.000 -0.012 0.000 0.991 121 A HN 2.033 nan 8.150 nan 0.000 0.502 122 S N 1.774 117.383 115.700 -0.151 0.000 2.614 122 S HA 0.180 4.652 4.470 0.003 0.000 0.265 122 S C 0.721 175.207 174.600 -0.189 0.000 1.303 122 S CA 0.111 58.144 58.200 -0.280 0.000 1.000 122 S CB 0.696 63.510 63.200 -0.643 0.000 0.935 122 S HN 0.716 nan 8.310 nan 0.000 0.551 123 E N 1.577 121.667 120.200 -0.183 0.000 2.118 123 E HA -0.122 4.230 4.350 0.003 0.000 0.195 123 E C 2.128 178.676 176.600 -0.087 0.000 0.992 123 E CA 1.222 57.559 56.400 -0.106 0.000 0.804 123 E CB -0.740 28.911 29.700 -0.082 0.000 0.741 123 E HN 0.898 nan 8.360 nan 0.000 0.458 124 G N 0.518 109.253 108.800 -0.109 0.000 2.402 124 G HA2 -0.255 3.707 3.960 0.003 0.000 0.216 124 G HA3 -0.255 3.707 3.960 0.003 0.000 0.216 124 G C 1.636 176.512 174.900 -0.041 0.000 1.162 124 G CA 1.234 46.301 45.100 -0.055 0.000 0.777 124 G HN 0.180 nan 8.290 nan 0.000 0.539 125 T N 1.340 115.859 114.554 -0.059 0.000 2.746 125 T HA -0.054 4.299 4.350 0.003 0.000 0.267 125 T C 2.381 177.064 174.700 -0.028 0.000 1.039 125 T CA 0.965 63.045 62.100 -0.033 0.000 1.142 125 T CB -0.156 68.689 68.868 -0.037 0.000 0.866 125 T HN 0.242 nan 8.240 nan 0.000 0.444 126 I N 1.267 121.814 120.570 -0.039 0.000 2.226 126 I HA -0.180 3.992 4.170 0.003 0.000 0.245 126 I C 2.887 178.990 176.117 -0.023 0.000 1.100 126 I CA 1.083 62.365 61.300 -0.030 0.000 1.374 126 I CB -0.449 37.531 38.000 -0.034 0.000 1.057 126 I HN 0.191 nan 8.210 nan 0.000 0.413 127 A N 0.688 123.493 122.820 -0.024 0.000 1.972 127 A HA -0.177 4.145 4.320 0.003 0.000 0.219 127 A C 2.321 179.899 177.584 -0.009 0.000 1.169 127 A CA 1.266 53.293 52.037 -0.017 0.000 0.635 127 A CB -0.386 18.605 19.000 -0.016 0.000 0.810 127 A HN 0.255 nan 8.150 nan 0.000 0.446 128 R N -0.225 120.272 120.500 -0.004 0.000 2.092 128 R HA -0.004 4.338 4.340 0.003 0.000 0.231 128 R C 2.010 178.315 176.300 0.009 0.000 1.119 128 R CA 1.140 57.246 56.100 0.009 0.000 0.970 128 R CB -0.963 29.348 30.300 0.017 0.000 0.864 128 R HN 0.595 nan 8.270 nan 0.000 0.440 129 L N 0.131 121.352 121.223 -0.003 0.000 2.072 129 L HA -0.072 4.270 4.340 0.003 0.000 0.205 129 L C 2.469 179.328 176.870 -0.019 0.000 1.079 129 L CA 1.032 55.865 54.840 -0.011 0.000 0.752 129 L CB -0.441 41.606 42.059 -0.020 0.000 0.906 129 L HN 0.057 nan 8.230 nan 0.000 0.436 130 I N -0.040 120.519 120.570 -0.019 0.000 2.226 130 I HA -0.286 3.886 4.170 0.003 0.000 0.245 130 I C 2.131 178.238 176.117 -0.018 0.000 1.100 130 I CA 1.185 62.472 61.300 -0.021 0.000 1.374 130 I CB -0.374 37.614 38.000 -0.019 0.000 1.057 130 I HN 0.255 nan 8.210 nan 0.000 0.413 131 D N 0.746 121.140 120.400 -0.011 0.000 2.123 131 D HA -0.180 4.462 4.640 0.003 0.000 0.196 131 D C 2.133 178.428 176.300 -0.008 0.000 0.992 131 D CA 0.978 54.972 54.000 -0.009 0.000 0.833 131 D CB -0.330 40.466 40.800 -0.007 0.000 0.954 131 D HN 0.156 nan 8.370 nan 0.000 0.455 132 L N 0.787 122.011 121.223 0.002 0.000 2.012 132 L HA -0.145 4.197 4.340 0.003 0.000 0.210 132 L C 2.148 179.002 176.870 -0.026 0.000 1.073 132 L CA 1.407 56.254 54.840 0.012 0.000 0.748 132 L CB -0.878 41.206 42.059 0.041 0.000 0.891 132 L HN 0.098 nan 8.230 nan 0.000 0.431 133 L N 0.100 121.294 121.223 -0.048 0.000 2.191 133 L HA -0.199 4.143 4.340 0.003 0.000 0.212 133 L C 1.980 178.822 176.870 -0.048 0.000 1.103 133 L CA 0.873 55.666 54.840 -0.079 0.000 0.769 133 L CB -0.562 41.450 42.059 -0.079 0.000 0.908 133 L HN 0.368 nan 8.230 nan 0.000 0.438 134 N N -0.532 118.155 118.700 -0.022 0.000 2.412 134 N HA -0.018 4.724 4.740 0.003 0.000 0.184 134 N C 0.957 176.477 175.510 0.017 0.000 1.101 134 N CA 0.418 53.466 53.050 -0.002 0.000 0.881 134 N CB 0.139 38.623 38.487 -0.004 0.000 0.969 134 N HN 0.335 nan 8.380 nan 0.000 0.459 135 S N 0.129 115.840 115.700 0.018 0.000 2.686 135 S HA 0.251 4.723 4.470 0.003 0.000 0.270 135 S C 0.665 175.334 174.600 0.115 0.000 1.194 135 S CA -0.508 57.716 58.200 0.040 0.000 0.990 135 S CB 1.173 64.379 63.200 0.010 0.000 1.029 135 S HN 0.075 nan 8.310 nan 0.000 0.560 136 E N -0.016 120.279 120.200 0.158 0.000 2.451 136 E HA 0.315 4.667 4.350 0.003 0.000 0.194 136 E C -0.438 176.460 176.600 0.495 0.000 1.027 136 E CA -0.077 56.514 56.400 0.318 0.000 0.914 136 E CB -0.038 29.759 29.700 0.162 0.000 1.054 136 E HN 0.442 nan 8.360 nan 0.000 0.461 137 L N 0.298 121.722 121.223 0.335 0.000 2.304 137 L HA 0.774 5.116 4.340 0.003 0.000 0.268 137 L C -0.173 176.820 176.870 0.205 0.000 1.010 137 L CA -1.103 53.961 54.840 0.374 0.000 0.813 137 L CB 1.573 43.730 42.059 0.162 0.000 1.315 137 L HN -0.079 nan 8.230 nan 0.000 0.445 138 A N 1.087 124.054 122.820 0.246 0.000 2.515 138 A HA 0.822 5.144 4.320 0.003 0.000 0.298 138 A C -2.802 174.864 177.584 0.136 0.000 1.059 138 A CA -1.427 50.611 52.037 0.000 0.000 0.698 138 A CB 1.894 20.716 19.000 -0.297 0.000 1.289 138 A HN 0.365 nan 8.150 nan 0.000 0.404 139 P HA 0.376 nan 4.420 nan 0.000 0.275 139 P C -0.363 176.841 177.300 -0.160 0.000 1.228 139 P CA 0.079 63.017 63.100 -0.268 0.000 0.786 139 P CB 1.287 32.840 31.700 -0.246 0.000 0.927 140 A N 3.487 126.188 122.820 -0.198 0.000 2.391 140 A HA 0.458 4.780 4.320 0.003 0.000 0.316 140 A C -0.201 177.313 177.584 -0.118 0.000 1.381 140 A CA -0.419 51.560 52.037 -0.097 0.000 0.998 140 A CB -0.333 18.629 19.000 -0.064 0.000 1.147 140 A HN 0.355 nan 8.150 nan 0.000 0.545 141 V N 5.800 125.651 119.914 -0.106 0.000 2.540 141 V HA 0.410 4.532 4.120 0.003 0.000 0.302 141 V C -2.170 173.821 176.094 -0.172 0.000 1.035 141 V CA -1.782 60.434 62.300 -0.139 0.000 0.873 141 V CB 2.030 33.804 31.823 -0.081 0.000 0.992 141 V HN 0.805 nan 8.190 nan 0.000 0.428 142 P HA 0.064 nan 4.420 nan 0.000 0.268 142 P C 0.712 177.927 177.300 -0.141 0.000 1.205 142 P CA 0.117 63.076 63.100 -0.235 0.000 0.771 142 P CB 0.983 32.469 31.700 -0.356 0.000 0.858 143 S N 2.732 118.383 115.700 -0.081 0.000 2.461 143 S HA 0.015 4.487 4.470 0.003 0.000 0.228 143 S C 0.842 175.425 174.600 -0.028 0.000 1.005 143 S CA 0.126 58.301 58.200 -0.042 0.000 0.942 143 S CB -0.099 63.090 63.200 -0.020 0.000 0.776 143 S HN 0.414 nan 8.310 nan 0.000 0.514 144 R N -0.217 120.262 120.500 -0.034 0.000 2.668 144 R HA 0.630 4.972 4.340 0.003 0.000 0.279 144 R C 0.770 177.066 176.300 -0.007 0.000 0.976 144 R CA -0.031 56.060 56.100 -0.014 0.000 0.978 144 R CB 1.547 31.841 30.300 -0.011 0.000 1.133 144 R HN 0.325 nan 8.270 nan 0.000 0.484 145 G N 0.232 109.038 108.800 0.010 0.000 2.901 145 G HA2 -0.213 3.749 3.960 0.003 0.000 0.194 145 G HA3 -0.213 3.749 3.960 0.003 0.000 0.194 145 G C 0.100 175.016 174.900 0.028 0.000 1.020 145 G CA -0.103 45.012 45.100 0.024 0.000 0.787 145 G HN 0.596 nan 8.290 nan 0.000 0.477 146 T N 0.851 115.419 114.554 0.024 0.000 2.907 146 T HA 0.520 4.872 4.350 0.003 0.000 0.284 146 T C 1.471 176.188 174.700 0.028 0.000 1.004 146 T CA 0.498 62.612 62.100 0.023 0.000 1.063 146 T CB 1.613 70.492 68.868 0.019 0.000 0.992 146 T HN 1.151 nan 8.240 nan 0.000 0.483 147 V N 1.300 121.233 119.914 0.031 0.000 3.542 147 V HA 0.602 4.724 4.120 0.003 0.000 0.296 147 V C 1.133 177.257 176.094 0.050 0.000 1.364 147 V CA 0.226 62.551 62.300 0.041 0.000 1.118 147 V CB -1.295 30.554 31.823 0.043 0.000 0.972 147 V HN 1.357 nan 8.190 nan 0.000 0.430 153 L N -0.338 120.859 121.223 -0.044 0.000 2.046 153 L HA -0.127 4.215 4.340 0.003 0.000 0.208 153 L C 2.363 179.189 176.870 -0.073 0.000 1.077 153 L CA 1.391 56.184 54.840 -0.079 0.000 0.747 153 L CB -0.610 41.380 42.059 -0.115 0.000 0.896 153 L HN 0.086 nan 8.230 nan 0.000 0.432 154 T N 0.531 115.066 114.554 -0.032 0.000 2.643 154 T HA -0.091 4.261 4.350 0.003 0.000 0.264 154 T C -0.433 174.332 174.700 0.108 0.000 1.045 154 T CA 1.741 63.853 62.100 0.019 0.000 1.155 154 T CB -1.182 67.722 68.868 0.059 0.000 0.863 154 T HN 0.305 nan 8.240 nan 0.000 0.420 155 P HA 0.014 nan 4.420 nan 0.000 0.218 155 P C 1.561 178.890 177.300 0.047 0.000 1.149 155 P CA 0.975 64.121 63.100 0.076 0.000 0.817 155 P CB -0.227 31.482 31.700 0.015 0.000 0.785 156 L N -0.685 120.537 121.223 -0.002 0.000 2.156 156 L HA -0.066 4.276 4.340 0.003 0.000 0.208 156 L C 2.767 179.602 176.870 -0.059 0.000 1.095 156 L CA 1.270 56.092 54.840 -0.031 0.000 0.770 156 L CB -1.007 41.027 42.059 -0.041 0.000 0.914 156 L HN -0.059 nan 8.230 nan 0.000 0.439 157 A N -0.963 121.799 122.820 -0.096 0.000 1.930 157 A HA -0.211 4.111 4.320 0.003 0.000 0.217 157 A C 2.125 179.600 177.584 -0.181 0.000 1.175 157 A CA 1.216 53.146 52.037 -0.179 0.000 0.627 157 A CB -0.683 18.154 19.000 -0.272 0.000 0.815 157 A HN 0.395 nan 8.150 nan 0.000 0.443 158 H N -1.140 117.877 119.070 -0.088 0.000 2.389 158 H HA -0.099 4.459 4.556 0.004 0.000 0.299 158 H C 2.100 177.362 175.328 -0.110 0.000 1.081 158 H CA 1.761 57.757 56.048 -0.087 0.000 1.345 158 H CB -0.273 29.441 29.762 -0.080 0.000 1.393 158 H HN 0.593 nan 8.280 nan 0.000 0.520 159 M N 0.600 120.203 119.600 0.005 0.000 2.086 159 M HA -0.157 4.325 4.480 0.003 0.000 0.261 159 M C 2.126 178.383 176.300 -0.072 0.000 1.067 159 M CA 1.364 56.629 55.300 -0.059 0.000 1.116 159 M CB -0.140 32.429 32.600 -0.050 0.000 1.348 159 M HN -0.004 nan 8.290 nan 0.000 0.407 160 V N 1.316 121.191 119.914 -0.065 0.000 2.287 160 V HA -0.309 3.813 4.120 0.003 0.000 0.248 160 V C 2.446 178.508 176.094 -0.053 0.000 1.053 160 V CA 1.863 64.127 62.300 -0.059 0.000 1.027 160 V CB -0.770 31.006 31.823 -0.078 0.000 0.646 160 V HN 0.548 nan 8.190 nan 0.000 0.447 161 L N -0.925 120.258 121.223 -0.067 0.000 2.046 161 L HA -0.230 4.112 4.340 0.003 0.000 0.208 161 L C 2.657 179.496 176.870 -0.051 0.000 1.077 161 L CA 1.647 56.460 54.840 -0.045 0.000 0.747 161 L CB -0.770 41.261 42.059 -0.047 0.000 0.896 161 L HN 0.403 nan 8.230 nan 0.000 0.432 162 C N -0.103 119.122 119.300 -0.125 0.000 2.432 162 C HA -0.157 4.305 4.460 0.003 0.000 0.277 162 C C 2.663 177.575 174.990 -0.130 0.000 1.249 162 C CA 0.468 59.307 59.018 -0.299 0.000 1.725 162 C CB -0.859 26.542 27.740 -0.566 0.000 2.028 162 C HN 0.441 nan 8.230 nan 0.000 0.477 163 L N 0.315 121.525 121.223 -0.021 0.000 2.353 163 L HA -0.159 4.183 4.340 0.003 0.000 0.220 163 L C 2.325 179.273 176.870 0.131 0.000 1.133 163 L CA 1.233 56.156 54.840 0.140 0.000 0.798 163 L CB -0.636 41.468 42.059 0.075 0.000 0.922 163 L HN 0.537 nan 8.230 nan 0.000 0.445 164 Q N -0.416 119.431 119.800 0.078 0.000 2.319 164 Q HA 0.144 4.486 4.340 0.003 0.000 0.202 164 Q C 1.316 177.372 176.000 0.093 0.000 0.896 164 Q CA 0.475 56.319 55.803 0.069 0.000 0.942 164 Q CB 0.738 29.498 28.738 0.036 0.000 1.083 164 Q HN 0.529 nan 8.270 nan 0.000 0.510 165 G N 1.841 110.728 108.800 0.146 0.000 2.143 165 G HA2 -0.312 3.650 3.960 0.003 0.000 0.249 165 G HA3 -0.312 3.650 3.960 0.003 0.000 0.249 165 G C 0.545 175.511 174.900 0.109 0.000 0.981 165 G CA 0.104 45.306 45.100 0.170 0.000 0.665 165 G HN 0.328 nan 8.290 nan 0.000 0.528 166 R N 0.035 120.574 120.500 0.065 0.000 2.507 166 R HA 0.472 4.814 4.340 0.003 0.000 0.298 166 R C 0.991 177.301 176.300 0.017 0.000 0.999 166 R CA 0.476 56.601 56.100 0.041 0.000 1.082 166 R CB 0.873 31.195 30.300 0.037 0.000 1.246 166 R HN 0.523 nan 8.270 nan 0.000 0.553 167 G N -0.298 108.496 108.800 -0.009 0.000 2.704 167 G HA2 0.245 4.207 3.960 0.003 0.000 0.293 167 G HA3 0.245 4.207 3.960 0.003 0.000 0.293 167 G C -1.459 173.377 174.900 -0.107 0.000 1.421 167 G CA -0.651 44.413 45.100 -0.059 0.000 0.870 167 G HN -0.130 nan 8.290 nan 0.000 0.492 168 D N -0.516 119.833 120.400 -0.086 0.000 2.360 168 D HA 0.572 5.214 4.640 0.003 0.000 0.242 168 D C -0.473 175.712 176.300 -0.190 0.000 1.184 168 D CA 0.537 54.520 54.000 -0.028 0.000 0.930 168 D CB 0.839 41.648 40.800 0.015 0.000 1.161 168 D HN 0.108 nan 8.370 nan 0.000 0.447 169 F N -0.703 119.272 119.950 0.043 0.000 2.611 169 F HA 0.514 5.043 4.527 0.003 0.000 0.324 169 F C -0.223 175.624 175.800 0.079 0.000 1.061 169 F CA -0.913 57.121 58.000 0.056 0.000 0.954 169 F CB 1.222 40.256 39.000 0.057 0.000 1.301 169 F HN -0.075 nan 8.300 nan 0.000 0.482 170 L N 1.727 123.153 121.223 0.338 0.000 2.362 170 L HA 0.431 4.773 4.340 0.003 0.000 0.271 170 L C -0.880 176.209 176.870 0.364 0.000 1.002 170 L CA -1.048 53.966 54.840 0.290 0.000 0.818 170 L CB 1.779 44.014 42.059 0.295 0.000 1.298 170 L HN 0.585 nan 8.230 nan 0.000 0.420 171 D N 1.771 122.285 120.400 0.190 0.000 2.432 171 D HA 0.200 4.842 4.640 0.003 0.000 0.258 171 D C 0.810 176.974 176.300 -0.227 0.000 1.146 171 D CA -0.585 53.459 54.000 0.073 0.000 1.015 171 D CB 0.995 41.794 40.800 -0.001 0.000 1.107 171 D HN 0.374 nan 8.370 nan 0.000 0.529 172 R N -0.334 119.793 120.500 -0.623 0.000 2.154 172 R HA -0.138 4.204 4.340 0.003 0.000 0.248 172 R C 0.953 176.886 176.300 -0.613 0.000 1.155 172 R CA 1.707 57.067 56.100 -1.232 0.000 0.979 172 R CB -0.213 29.492 30.300 -0.993 0.000 0.869 172 R HN 0.563 nan 8.270 nan 0.000 0.452 173 D N -1.261 118.951 120.400 -0.313 0.000 2.363 173 D HA 0.014 4.656 4.640 0.003 0.000 0.220 173 D C 1.237 177.487 176.300 -0.083 0.000 0.994 173 D CA 1.142 55.043 54.000 -0.166 0.000 0.890 173 D CB 0.557 41.290 40.800 -0.112 0.000 0.906 173 D HN 0.505 nan 8.370 nan 0.000 0.530 174 G N 1.389 110.157 108.800 -0.053 0.000 2.176 174 G HA2 -0.270 3.692 3.960 0.003 0.000 0.232 174 G HA3 -0.270 3.692 3.960 0.003 0.000 0.232 174 G C 0.665 175.586 174.900 0.036 0.000 0.986 174 G CA 0.431 45.549 45.100 0.029 0.000 0.643 174 G HN 0.438 nan 8.290 nan 0.000 0.522 175 T N -0.421 114.142 114.554 0.015 0.000 2.916 175 T HA 0.566 4.918 4.350 0.003 0.000 0.303 175 T C 0.510 175.243 174.700 0.056 0.000 1.025 175 T CA -0.058 62.057 62.100 0.025 0.000 1.142 175 T CB 1.207 70.080 68.868 0.008 0.000 0.947 175 T HN 0.520 nan 8.240 nan 0.000 0.544 176 R N 2.171 122.705 120.500 0.056 0.000 2.404 176 R HA 0.621 4.963 4.340 0.003 0.000 0.291 176 R C -0.392 175.958 176.300 0.083 0.000 1.025 176 R CA -0.710 55.437 56.100 0.078 0.000 0.991 176 R CB 0.914 31.248 30.300 0.058 0.000 1.053 176 R HN 0.605 nan 8.270 nan 0.000 0.479 177 L N 1.889 123.186 121.223 0.124 0.000 2.362 177 L HA 0.341 4.683 4.340 0.003 0.000 0.271 177 L C -0.298 176.666 176.870 0.157 0.000 1.002 177 L CA -1.300 53.614 54.840 0.123 0.000 0.818 177 L CB 1.936 44.072 42.059 0.129 0.000 1.298 177 L HN 0.668 nan 8.230 nan 0.000 0.420 178 D N 1.042 121.514 120.400 0.120 0.000 2.371 178 D HA 0.112 4.754 4.640 0.003 0.000 0.242 178 D C 1.273 177.693 176.300 0.201 0.000 1.218 178 D CA -0.040 54.034 54.000 0.124 0.000 0.945 178 D CB 0.867 41.715 40.800 0.079 0.000 1.137 178 D HN 0.581 nan 8.370 nan 0.000 0.464 179 G N -0.067 108.851 108.800 0.195 0.000 2.529 179 G HA2 -0.277 3.685 3.960 0.003 0.000 0.219 179 G HA3 -0.277 3.685 3.960 0.003 0.000 0.219 179 G C 1.499 176.530 174.900 0.219 0.000 1.177 179 G CA 1.739 47.007 45.100 0.281 0.000 0.773 179 G HN 0.702 nan 8.290 nan 0.000 0.573 180 A N 0.623 123.514 122.820 0.119 0.000 1.902 180 A HA -0.039 4.283 4.320 0.003 0.000 0.217 180 A C 2.216 179.818 177.584 0.030 0.000 1.181 180 A CA 2.306 54.382 52.037 0.065 0.000 0.623 180 A CB -0.446 18.582 19.000 0.047 0.000 0.818 180 A HN 0.429 nan 8.150 nan 0.000 0.443 181 E N 0.127 120.349 120.200 0.038 0.000 2.106 181 E HA -0.030 4.322 4.350 0.003 0.000 0.192 181 E C 1.963 178.529 176.600 -0.057 0.000 0.984 181 E CA 1.549 57.952 56.400 0.004 0.000 0.806 181 E CB -0.840 28.877 29.700 0.027 0.000 0.750 181 E HN 0.388 nan 8.360 nan 0.000 0.458 182 G N 0.898 109.657 108.800 -0.068 0.000 2.421 182 G HA2 -0.237 3.725 3.960 0.003 0.000 0.216 182 G HA3 -0.237 3.725 3.960 0.003 0.000 0.216 182 G C 1.612 176.166 174.900 -0.576 0.000 1.171 182 G CA 1.017 45.858 45.100 -0.433 0.000 0.775 182 G HN 0.316 nan 8.290 nan 0.000 0.543 183 L N -0.299 120.718 121.223 -0.344 0.000 2.083 183 L HA -0.064 4.278 4.340 0.003 0.000 0.209 183 L C 3.200 179.980 176.870 -0.151 0.000 1.083 183 L CA 1.104 55.811 54.840 -0.222 0.000 0.752 183 L CB -0.377 41.648 42.059 -0.057 0.000 0.899 183 L HN 0.173 nan 8.230 nan 0.000 0.433 184 R N -0.265 120.171 120.500 -0.107 0.000 2.061 184 R HA -0.143 4.199 4.340 0.003 0.000 0.230 184 R C 2.463 178.714 176.300 -0.080 0.000 1.140 184 R CA 1.334 57.392 56.100 -0.070 0.000 0.940 184 R CB -0.365 29.910 30.300 -0.042 0.000 0.839 184 R HN 0.206 nan 8.270 nan 0.000 0.429 185 R N 0.186 120.628 120.500 -0.095 0.000 2.096 185 R HA -0.093 4.249 4.340 0.003 0.000 0.235 185 R C 1.963 178.208 176.300 -0.091 0.000 1.127 185 R CA 1.668 57.720 56.100 -0.080 0.000 0.968 185 R CB -0.296 29.963 30.300 -0.069 0.000 0.861 185 R HN 0.350 nan 8.270 nan 0.000 0.440 186 G N -0.556 108.153 108.800 -0.152 0.000 2.985 186 G HA2 -0.051 3.911 3.960 0.003 0.000 0.209 186 G HA3 -0.051 3.911 3.960 0.003 0.000 0.209 186 G C -0.169 174.673 174.900 -0.098 0.000 1.165 186 G CA -0.240 44.780 45.100 -0.134 0.000 0.776 186 G HN 0.325 nan 8.290 nan 0.000 0.541 187 R N -1.032 119.414 120.500 -0.091 0.000 3.267 187 R HA -0.130 4.213 4.340 0.003 0.000 0.254 187 R C -0.779 175.486 176.300 -0.058 0.000 0.993 187 R CA 0.308 56.372 56.100 -0.060 0.000 0.670 187 R CB -2.241 28.036 30.300 -0.038 0.000 1.125 187 R HN 0.332 nan 8.270 nan 0.000 0.434 188 L N 0.758 121.934 121.223 -0.079 0.000 2.334 188 L HA 0.381 4.723 4.340 0.003 0.000 0.276 188 L C 0.662 177.516 176.870 -0.027 0.000 1.014 188 L CA -0.841 53.966 54.840 -0.056 0.000 0.815 188 L CB 1.896 43.902 42.059 -0.088 0.000 1.268 188 L HN 0.117 nan 8.230 nan 0.000 0.428 189 Q N 3.379 123.177 119.800 -0.004 0.000 2.230 189 Q HA 0.343 4.685 4.340 0.003 0.000 0.248 189 Q C -2.247 173.770 176.000 0.028 0.000 0.915 189 Q CA -1.867 53.942 55.803 0.009 0.000 0.900 189 Q CB 1.299 30.043 28.738 0.010 0.000 1.229 189 Q HN 0.337 nan 8.270 nan 0.000 0.439 190 P HA -0.056 nan 4.420 nan 0.000 0.268 190 P C -0.710 176.617 177.300 0.044 0.000 1.204 190 P CA -0.300 62.830 63.100 0.050 0.000 0.768 190 P CB 0.531 32.257 31.700 0.044 0.000 0.842 191 L N 3.433 124.686 121.223 0.050 0.000 2.513 191 L HA 0.164 4.506 4.340 0.003 0.000 0.272 191 L C 0.024 176.914 176.870 0.034 0.000 1.187 191 L CA 0.694 55.556 54.840 0.038 0.000 0.895 191 L CB -0.544 41.534 42.059 0.033 0.000 1.147 191 L HN 0.294 nan 8.230 nan 0.000 0.483 192 D N 4.888 125.313 120.400 0.040 0.000 2.425 192 D HA 0.235 4.877 4.640 0.003 0.000 0.240 192 D C -0.128 176.214 176.300 0.070 0.000 1.080 192 D CA -0.209 53.821 54.000 0.050 0.000 0.836 192 D CB 0.882 41.717 40.800 0.059 0.000 1.125 192 D HN 0.617 nan 8.370 nan 0.000 0.525 193 L N 3.197 124.450 121.223 0.051 0.000 2.912 193 L HA 0.101 4.443 4.340 0.003 0.000 0.240 193 L C 1.904 178.812 176.870 0.064 0.000 1.262 193 L CA -0.167 54.710 54.840 0.061 0.000 1.058 193 L CB -0.085 41.987 42.059 0.023 0.000 1.383 193 L HN 0.362 nan 8.230 nan 0.000 0.512 194 S N -2.117 113.616 115.700 0.056 0.000 2.442 194 S HA -0.208 4.264 4.470 0.003 0.000 0.236 194 S C 1.443 175.990 174.600 -0.088 0.000 1.007 194 S CA 0.949 59.128 58.200 -0.035 0.000 0.965 194 S CB -0.437 62.704 63.200 -0.099 0.000 0.773 194 S HN 0.542 nan 8.310 nan 0.000 0.504 195 H N 1.463 120.526 119.070 -0.011 0.000 2.547 195 H HA 0.361 4.919 4.556 0.003 0.000 0.266 195 H C 0.615 175.934 175.328 -0.016 0.000 0.988 195 H CA 0.432 56.470 56.048 -0.017 0.000 1.147 195 H CB -0.084 29.664 29.762 -0.022 0.000 1.365 195 H HN 0.357 nan 8.280 nan 0.000 0.589 196 R N 0.859 121.410 120.500 0.086 0.000 3.656 196 R HA -0.127 4.215 4.340 0.003 0.000 0.297 196 R C -0.737 175.607 176.300 0.074 0.000 1.166 196 R CA 0.819 56.956 56.100 0.062 0.000 0.799 196 R CB -1.830 28.496 30.300 0.042 0.000 1.285 196 R HN 0.540 nan 8.270 nan 0.000 0.477 197 D N -0.898 119.549 120.400 0.079 0.000 2.491 197 D HA 0.220 4.862 4.640 0.003 0.000 0.228 197 D C 1.256 177.592 176.300 0.061 0.000 1.183 197 D CA 0.349 54.389 54.000 0.067 0.000 0.827 197 D CB 0.313 41.135 40.800 0.037 0.000 0.989 197 D HN 0.298 nan 8.370 nan 0.000 0.494 198 A N 0.509 123.361 122.820 0.054 0.000 1.940 198 A HA -0.129 4.193 4.320 0.003 0.000 0.219 198 A C 1.964 179.566 177.584 0.030 0.000 1.176 198 A CA 0.858 52.909 52.037 0.023 0.000 0.631 198 A CB -0.551 18.449 19.000 -0.000 0.000 0.814 198 A HN 0.288 nan 8.150 nan 0.000 0.446 199 L N -0.661 120.612 121.223 0.083 0.000 2.456 199 L HA -0.026 4.316 4.340 0.003 0.000 0.224 199 L C 2.659 179.585 176.870 0.093 0.000 1.148 199 L CA 1.183 56.084 54.840 0.102 0.000 0.825 199 L CB -0.429 41.744 42.059 0.191 0.000 0.937 199 L HN 0.387 nan 8.230 nan 0.000 0.450 200 A N -1.175 121.698 122.820 0.087 0.000 2.119 200 A HA 0.031 4.353 4.320 0.003 0.000 0.216 200 A C 2.122 179.726 177.584 0.033 0.000 1.152 200 A CA 1.011 53.092 52.037 0.073 0.000 0.708 200 A CB -0.254 18.786 19.000 0.067 0.000 0.805 200 A HN 0.400 nan 8.150 nan 0.000 0.460 201 L N -1.171 120.061 121.223 0.015 0.000 2.425 201 L HA 0.128 4.470 4.340 0.003 0.000 0.215 201 L C 0.028 176.885 176.870 -0.023 0.000 1.065 201 L CA 0.230 55.065 54.840 -0.008 0.000 0.842 201 L CB 0.383 42.431 42.059 -0.018 0.000 1.033 201 L HN 0.046 nan 8.230 nan 0.000 0.474 202 V N 1.953 121.848 119.914 -0.032 0.000 2.218 202 V HA 0.380 4.502 4.120 0.003 0.000 0.261 202 V C -0.477 175.599 176.094 -0.030 0.000 1.142 202 V CA -0.219 62.044 62.300 -0.061 0.000 0.965 202 V CB -0.146 31.602 31.823 -0.124 0.000 1.190 202 V HN 0.324 nan 8.190 nan 0.000 0.478 203 N N 1.873 120.567 118.700 -0.009 0.000 3.348 203 N HA 0.508 5.250 4.740 0.003 0.000 0.233 203 N C -0.017 175.516 175.510 0.039 0.000 1.440 203 N CA 0.588 53.651 53.050 0.023 0.000 0.887 203 N CB 2.237 40.755 38.487 0.053 0.000 1.410 203 N HN 0.746 nan 8.380 nan 0.000 0.502 204 G N 0.019 108.873 108.800 0.090 0.000 2.645 204 G HA2 -0.247 3.715 3.960 0.003 0.000 0.246 204 G HA3 -0.247 3.715 3.960 0.003 0.000 0.246 204 G C 0.208 175.154 174.900 0.078 0.000 1.322 204 G CA 0.557 45.714 45.100 0.095 0.000 0.898 204 G HN 1.216 nan 8.290 nan 0.000 0.573 205 T N -3.185 111.399 114.554 0.050 0.000 3.269 205 T HA 0.571 4.923 4.350 0.003 0.000 0.269 205 T C 1.800 176.506 174.700 0.011 0.000 0.993 205 T CA 0.948 63.070 62.100 0.036 0.000 0.909 205 T CB 0.427 69.314 68.868 0.031 0.000 1.115 205 T HN 0.850 nan 8.240 nan 0.000 0.543 206 S N 1.762 117.465 115.700 0.004 0.000 2.374 206 S HA -0.088 4.384 4.470 0.003 0.000 0.227 206 S C 2.469 177.062 174.600 -0.012 0.000 1.037 206 S CA 1.318 59.511 58.200 -0.011 0.000 1.024 206 S CB -0.607 62.584 63.200 -0.016 0.000 0.861 206 S HN 0.832 nan 8.310 nan 0.000 0.456 207 A N 2.698 125.515 122.820 -0.005 0.000 1.855 207 A HA -0.081 4.241 4.320 0.003 0.000 0.215 207 A C 2.291 179.878 177.584 0.005 0.000 1.191 207 A CA 1.764 53.799 52.037 -0.004 0.000 0.613 207 A CB -0.808 18.192 19.000 -0.000 0.000 0.829 207 A HN 0.661 nan 8.150 nan 0.000 0.442 208 M N -1.505 118.102 119.600 0.012 0.000 2.213 208 M HA -0.087 4.395 4.480 0.003 0.000 0.263 208 M C 1.788 178.095 176.300 0.013 0.000 1.062 208 M CA 2.289 57.601 55.300 0.020 0.000 1.105 208 M CB -1.296 31.318 32.600 0.024 0.000 1.385 208 M HN 0.161 nan 8.290 nan 0.000 0.417 209 T N 1.153 115.705 114.554 -0.003 0.000 2.777 209 T HA 0.011 4.363 4.350 0.003 0.000 0.266 209 T C 1.972 176.669 174.700 -0.005 0.000 1.040 209 T CA 1.629 63.719 62.100 -0.017 0.000 1.141 209 T CB -0.714 68.135 68.868 -0.032 0.000 0.868 209 T HN 0.719 nan 8.240 nan 0.000 0.444 210 G N 1.270 110.066 108.800 -0.007 0.000 2.418 210 G HA2 -0.116 3.846 3.960 0.003 0.000 0.217 210 G HA3 -0.116 3.846 3.960 0.003 0.000 0.217 210 G C 1.521 176.435 174.900 0.023 0.000 1.158 210 G CA 0.448 45.544 45.100 -0.007 0.000 0.771 210 G HN 0.484 nan 8.290 nan 0.000 0.545 211 I N 1.408 121.997 120.570 0.031 0.000 2.226 211 I HA -0.160 4.012 4.170 0.003 0.000 0.245 211 I C 3.261 179.432 176.117 0.089 0.000 1.100 211 I CA 1.030 62.363 61.300 0.056 0.000 1.374 211 I CB -0.180 37.850 38.000 0.050 0.000 1.057 211 I HN 0.233 nan 8.210 nan 0.000 0.413 212 A N 1.246 124.120 122.820 0.090 0.000 1.930 212 A HA -0.160 4.162 4.320 0.003 0.000 0.217 212 A C 2.240 179.931 177.584 0.179 0.000 1.175 212 A CA 1.725 53.854 52.037 0.154 0.000 0.627 212 A CB -0.794 18.265 19.000 0.097 0.000 0.815 212 A HN 0.514 nan 8.150 nan 0.000 0.443 213 L N -2.103 119.187 121.223 0.112 0.000 2.217 213 L HA 0.034 4.377 4.340 0.003 0.000 0.211 213 L C 1.922 178.901 176.870 0.183 0.000 1.107 213 L CA 1.468 56.383 54.840 0.126 0.000 0.783 213 L CB -1.008 41.093 42.059 0.068 0.000 0.919 213 L HN -0.001 nan 8.230 nan 0.000 0.442 214 V N 0.790 120.811 119.914 0.178 0.000 2.453 214 V HA -0.149 3.973 4.120 0.003 0.000 0.247 214 V C 2.436 178.654 176.094 0.206 0.000 1.048 214 V CA 1.619 64.062 62.300 0.240 0.000 1.049 214 V CB -0.921 31.012 31.823 0.183 0.000 0.672 214 V HN 0.498 nan 8.190 nan 0.000 0.457 215 N N 0.946 119.743 118.700 0.162 0.000 2.120 215 N HA -0.129 4.613 4.740 0.003 0.000 0.188 215 N C 1.928 177.495 175.510 0.095 0.000 1.024 215 N CA 1.716 54.839 53.050 0.121 0.000 0.852 215 N CB -0.566 37.977 38.487 0.094 0.000 1.003 215 N HN 0.472 nan 8.380 nan 0.000 0.424 216 A N 0.339 123.242 122.820 0.138 0.000 1.908 216 A HA -0.221 4.101 4.320 0.003 0.000 0.218 216 A C 2.122 179.735 177.584 0.050 0.000 1.181 216 A CA 1.931 54.032 52.037 0.107 0.000 0.627 216 A CB -0.980 18.140 19.000 0.202 0.000 0.818 216 A HN 0.467 nan 8.150 nan 0.000 0.445 217 H N -0.265 118.785 119.070 -0.034 0.000 2.321 217 H HA 0.053 4.611 4.556 0.003 0.000 0.300 217 H C 2.218 177.486 175.328 -0.099 0.000 1.087 217 H CA 1.955 57.905 56.048 -0.163 0.000 1.319 217 H CB -0.234 29.290 29.762 -0.397 0.000 1.379 217 H HN 0.399 nan 8.280 nan 0.000 0.501 218 A N -0.360 122.501 122.820 0.069 0.000 1.902 218 A HA -0.183 4.139 4.320 0.003 0.000 0.217 218 A C 2.688 180.272 177.584 0.000 0.000 1.181 218 A CA 1.496 53.574 52.037 0.069 0.000 0.623 218 A CB -1.203 17.865 19.000 0.114 0.000 0.818 218 A HN 0.650 nan 8.150 nan 0.000 0.443 219 C N -1.320 117.995 119.300 0.024 0.000 2.435 219 C HA -0.021 4.441 4.460 0.003 0.000 0.279 219 C C 2.771 177.745 174.990 -0.027 0.000 1.321 219 C CA 1.098 60.168 59.018 0.087 0.000 1.752 219 C CB -1.348 26.475 27.740 0.138 0.000 1.959 219 C HN 0.730 nan 8.230 nan 0.000 0.500 220 R N -0.061 120.327 120.500 -0.187 0.000 2.073 220 R HA -0.127 4.215 4.340 0.003 0.000 0.234 220 R C 2.263 178.353 176.300 -0.350 0.000 1.134 220 R CA 1.531 57.434 56.100 -0.328 0.000 0.952 220 R CB -0.414 29.592 30.300 -0.491 0.000 0.850 220 R HN 0.600 nan 8.270 nan 0.000 0.433 221 H N 0.547 119.483 119.070 -0.224 0.000 2.326 221 H HA -0.089 4.469 4.556 0.003 0.000 0.301 221 H C 2.190 177.497 175.328 -0.036 0.000 1.081 221 H CA 1.667 57.629 56.048 -0.144 0.000 1.334 221 H CB -0.213 29.468 29.762 -0.135 0.000 1.385 221 H HN 0.243 nan 8.280 nan 0.000 0.504 222 L N -0.168 121.021 121.223 -0.057 0.000 2.131 222 L HA -0.087 4.255 4.340 0.003 0.000 0.210 222 L C 2.753 179.458 176.870 -0.274 0.000 1.092 222 L CA 1.026 55.650 54.840 -0.361 0.000 0.759 222 L CB -0.753 40.697 42.059 -1.014 0.000 0.903 222 L HN 0.297 nan 8.230 nan 0.000 0.435 223 G N -0.105 108.664 108.800 -0.051 0.000 2.422 223 G HA2 -0.248 3.714 3.960 0.003 0.000 0.218 223 G HA3 -0.248 3.714 3.960 0.003 0.000 0.218 223 G C 1.400 176.372 174.900 0.120 0.000 1.146 223 G CA 0.504 45.747 45.100 0.238 0.000 0.769 223 G HN 0.309 nan 8.290 nan 0.000 0.547 224 N N 0.088 118.754 118.700 -0.058 0.000 2.188 224 N HA -0.085 4.657 4.740 0.003 0.000 0.184 224 N C 1.834 177.248 175.510 -0.160 0.000 1.018 224 N CA 0.836 53.797 53.050 -0.147 0.000 0.858 224 N CB -0.325 38.014 38.487 -0.247 0.000 0.989 224 N HN 0.583 nan 8.380 nan 0.000 0.426 225 W N 1.575 122.825 121.300 -0.084 0.000 2.418 225 W HA 0.066 4.728 4.660 0.004 0.000 0.292 225 W C 2.499 178.993 176.519 -0.042 0.000 1.213 225 W CA 1.122 58.416 57.345 -0.085 0.000 1.283 225 W CB -0.423 28.942 29.460 -0.158 0.000 1.119 225 W HN 0.023 nan 8.180 nan 0.000 0.542 226 A N -0.136 122.806 122.820 0.203 0.000 1.908 226 A HA -0.185 4.137 4.320 0.003 0.000 0.218 226 A C 1.993 179.666 177.584 0.149 0.000 1.181 226 A CA 2.178 54.349 52.037 0.223 0.000 0.627 226 A CB -1.105 18.122 19.000 0.378 0.000 0.818 226 A HN 0.103 nan 8.150 nan 0.000 0.445 227 V N -0.361 119.627 119.914 0.122 0.000 2.307 227 V HA -0.198 3.924 4.120 0.003 0.000 0.245 227 V C 3.068 179.148 176.094 -0.023 0.000 1.045 227 V CA 1.873 64.189 62.300 0.026 0.000 1.024 227 V CB -1.179 30.664 31.823 0.033 0.000 0.651 227 V HN 0.613 nan 8.190 nan 0.000 0.449 228 A N -0.298 122.500 122.820 -0.037 0.000 1.933 228 A HA -0.151 4.171 4.320 0.003 0.000 0.218 228 A C 2.176 179.781 177.584 0.035 0.000 1.175 228 A CA 1.774 53.778 52.037 -0.055 0.000 0.628 228 A CB -0.506 18.378 19.000 -0.194 0.000 0.814 228 A HN 0.523 nan 8.150 nan 0.000 0.444 229 L N -1.183 120.100 121.223 0.101 0.000 2.179 229 L HA -0.085 4.257 4.340 0.003 0.000 0.208 229 L C 2.633 179.567 176.870 0.106 0.000 1.096 229 L CA 1.412 56.328 54.840 0.126 0.000 0.779 229 L CB -0.794 41.362 42.059 0.161 0.000 0.922 229 L HN 0.302 nan 8.230 nan 0.000 0.443 230 T N 0.172 114.781 114.554 0.091 0.000 2.777 230 T HA -0.126 4.226 4.350 0.003 0.000 0.266 230 T C 2.062 176.873 174.700 0.185 0.000 1.040 230 T CA 1.321 63.487 62.100 0.110 0.000 1.141 230 T CB -0.105 68.778 68.868 0.025 0.000 0.868 230 T HN 0.427 nan 8.240 nan 0.000 0.444 231 A N 1.310 124.203 122.820 0.121 0.000 1.877 231 A HA 0.001 4.323 4.320 0.003 0.000 0.216 231 A C 2.200 179.899 177.584 0.192 0.000 1.186 231 A CA 1.180 53.347 52.037 0.216 0.000 0.620 231 A CB -0.826 18.233 19.000 0.097 0.000 0.822 231 A HN 0.394 nan 8.150 nan 0.000 0.443 232 L N -0.749 120.547 121.223 0.121 0.000 2.131 232 L HA -0.082 4.260 4.340 0.003 0.000 0.210 232 L C 2.187 179.113 176.870 0.092 0.000 1.092 232 L CA 1.694 56.591 54.840 0.094 0.000 0.759 232 L CB -0.669 41.437 42.059 0.077 0.000 0.903 232 L HN 0.385 nan 8.230 nan 0.000 0.435 233 L N -0.215 121.074 121.223 0.111 0.000 2.046 233 L HA -0.094 4.248 4.340 0.003 0.000 0.208 233 L C 2.487 179.414 176.870 0.096 0.000 1.077 233 L CA 2.056 56.953 54.840 0.095 0.000 0.747 233 L CB -1.017 41.109 42.059 0.112 0.000 0.896 233 L HN 0.248 nan 8.230 nan 0.000 0.432 234 A N -0.878 122.031 122.820 0.148 0.000 1.933 234 A HA -0.203 4.119 4.320 0.003 0.000 0.218 234 A C 2.123 179.727 177.584 0.034 0.000 1.175 234 A CA 1.759 53.845 52.037 0.083 0.000 0.628 234 A CB -0.590 18.472 19.000 0.103 0.000 0.814 234 A HN 0.642 nan 8.150 nan 0.000 0.444 235 E N -1.179 119.057 120.200 0.059 0.000 2.347 235 E HA -0.096 4.256 4.350 0.003 0.000 0.196 235 E C 1.531 178.144 176.600 0.022 0.000 1.008 235 E CA 0.837 57.257 56.400 0.034 0.000 0.852 235 E CB -0.206 29.521 29.700 0.045 0.000 0.783 235 E HN 0.683 nan 8.360 nan 0.000 0.505 236 C N -0.014 119.302 119.300 0.026 0.000 2.735 236 C HA 0.181 4.643 4.460 0.003 0.000 0.271 236 C C 1.715 176.709 174.990 0.006 0.000 1.281 236 C CA -0.027 59.000 59.018 0.015 0.000 1.719 236 C CB -0.157 27.591 27.740 0.014 0.000 2.024 236 C HN 0.316 nan 8.230 nan 0.000 0.566 237 L N -0.028 121.199 121.223 0.006 0.000 3.168 237 L HA 0.284 4.626 4.340 0.003 0.000 0.277 237 L C 0.289 177.150 176.870 -0.016 0.000 1.245 237 L CA -0.070 54.768 54.840 -0.003 0.000 1.035 237 L CB -0.258 41.803 42.059 0.003 0.000 1.399 237 L HN 0.229 nan 8.230 nan 0.000 0.580 238 R N 0.615 121.103 120.500 -0.020 0.000 3.333 238 R HA -0.152 4.190 4.340 0.003 0.000 0.256 238 R C 0.676 176.938 176.300 -0.063 0.000 1.010 238 R CA 0.435 56.514 56.100 -0.034 0.000 0.680 238 R CB -1.983 28.303 30.300 -0.023 0.000 1.102 238 R HN 0.493 nan 8.270 nan 0.000 0.440 239 G N 0.675 109.422 108.800 -0.087 0.000 2.544 239 G HA2 0.185 4.147 3.960 0.003 0.000 0.242 239 G HA3 0.185 4.147 3.960 0.003 0.000 0.242 239 G C 0.052 174.803 174.900 -0.248 0.000 1.247 239 G CA -0.575 44.428 45.100 -0.162 0.000 0.840 239 G HN 0.251 nan 8.290 nan 0.000 0.578 240 R N 0.600 120.924 120.500 -0.293 0.000 2.202 240 R HA 0.224 4.566 4.340 0.003 0.000 0.334 240 R C 1.556 177.547 176.300 -0.516 0.000 1.036 240 R CA 0.203 56.124 56.100 -0.298 0.000 0.878 240 R CB 0.852 31.039 30.300 -0.188 0.000 1.067 240 R HN 0.708 nan 8.270 nan 0.000 0.457 241 T N -1.136 113.155 114.554 -0.438 0.000 3.085 241 T HA -0.134 4.218 4.350 0.003 0.000 0.263 241 T C 1.421 175.969 174.700 -0.252 0.000 1.127 241 T CA 0.891 62.715 62.100 -0.460 0.000 1.103 241 T CB -0.032 68.716 68.868 -0.200 0.000 0.921 241 T HN 0.734 nan 8.240 nan 0.000 0.510 242 E N 1.818 121.909 120.200 -0.181 0.000 2.204 242 E HA -0.024 4.328 4.350 0.003 0.000 0.195 242 E C 2.222 178.793 176.600 -0.049 0.000 0.990 242 E CA 0.916 57.271 56.400 -0.076 0.000 0.821 242 E CB -0.571 29.099 29.700 -0.049 0.000 0.750 242 E HN 0.607 nan 8.360 nan 0.000 0.477 243 A N 0.773 123.514 122.820 -0.131 0.000 2.121 243 A HA -0.086 4.236 4.320 0.003 0.000 0.218 243 A C 1.004 178.722 177.584 0.223 0.000 1.154 243 A CA 0.684 52.712 52.037 -0.016 0.000 0.679 243 A CB -0.611 18.342 19.000 -0.078 0.000 0.795 243 A HN 0.494 nan 8.150 nan 0.000 0.458 244 W N -0.295 121.006 121.300 0.002 0.000 3.239 244 W HA 0.595 5.256 4.660 0.002 0.000 0.368 244 W C 0.843 177.365 176.519 0.005 0.000 1.154 244 W CA -1.081 56.266 57.345 0.004 0.000 1.860 244 W CB -1.333 28.132 29.460 0.007 0.000 1.094 244 W HN 0.344 nan 8.180 nan 0.000 0.643 245 A N 0.888 123.820 122.820 0.187 0.000 2.531 245 A HA 0.406 4.728 4.320 0.003 0.000 0.236 245 A C 1.696 179.335 177.584 0.091 0.000 1.062 245 A CA 0.740 52.843 52.037 0.111 0.000 0.760 245 A CB 0.547 19.586 19.000 0.064 0.000 0.995 245 A HN 0.260 nan 8.150 nan 0.000 0.501 246 A N 2.528 125.389 122.820 0.070 0.000 1.972 246 A HA 0.120 4.442 4.320 0.003 0.000 0.219 246 A C 2.353 179.960 177.584 0.038 0.000 1.169 246 A CA 2.220 54.287 52.037 0.050 0.000 0.635 246 A CB -0.921 18.103 19.000 0.039 0.000 0.810 246 A HN 1.760 nan 8.150 nan 0.000 0.446 247 A N -0.222 122.619 122.820 0.035 0.000 1.940 247 A HA -0.082 4.240 4.320 0.003 0.000 0.219 247 A C 2.129 179.727 177.584 0.024 0.000 1.176 247 A CA 1.547 53.599 52.037 0.024 0.000 0.631 247 A CB -0.537 18.476 19.000 0.021 0.000 0.814 247 A HN 0.498 nan 8.150 nan 0.000 0.446 248 L N -0.733 120.511 121.223 0.035 0.000 2.109 248 L HA -0.121 4.221 4.340 0.003 0.000 0.207 248 L C 2.814 179.701 176.870 0.028 0.000 1.086 248 L CA 1.256 56.116 54.840 0.033 0.000 0.760 248 L CB -0.398 41.690 42.059 0.049 0.000 0.910 248 L HN 0.322 nan 8.230 nan 0.000 0.437 249 S N -0.208 115.513 115.700 0.035 0.000 2.368 249 S HA -0.182 4.290 4.470 0.003 0.000 0.225 249 S C 1.496 176.102 174.600 0.009 0.000 1.030 249 S CA 1.375 59.593 58.200 0.029 0.000 0.999 249 S CB -0.281 62.940 63.200 0.034 0.000 0.844 249 S HN 0.445 nan 8.310 nan 0.000 0.459 250 D N 1.416 121.821 120.400 0.008 0.000 2.178 250 D HA -0.026 4.616 4.640 0.003 0.000 0.201 250 D C 1.738 178.028 176.300 -0.017 0.000 0.980 250 D CA 0.673 54.670 54.000 -0.005 0.000 0.842 250 D CB -0.276 40.525 40.800 0.000 0.000 0.948 250 D HN 0.333 nan 8.370 nan 0.000 0.472 251 L N -0.545 120.671 121.223 -0.011 0.000 2.217 251 L HA 0.010 4.352 4.340 0.003 0.000 0.211 251 L C 1.571 178.419 176.870 -0.037 0.000 1.107 251 L CA 0.553 55.382 54.840 -0.019 0.000 0.783 251 L CB 0.150 42.204 42.059 -0.008 0.000 0.919 251 L HN -0.169 nan 8.230 nan 0.000 0.442 252 R N 0.768 121.243 120.500 -0.041 0.000 2.644 252 R HA 0.192 4.534 4.340 0.003 0.000 0.271 252 R C -2.196 174.034 176.300 -0.116 0.000 1.687 252 R CA -1.418 54.633 56.100 -0.082 0.000 1.655 252 R CB 0.885 31.177 30.300 -0.012 0.000 1.285 252 R HN -0.140 nan 8.270 nan 0.000 0.643 253 P HA -0.085 nan 4.420 nan 0.000 0.297 253 P C -0.678 176.546 177.300 -0.128 0.000 1.544 253 P CA 0.262 63.293 63.100 -0.114 0.000 0.798 253 P CB -0.345 31.300 31.700 -0.091 0.000 1.757 254 H N 0.836 119.906 119.070 0.000 0.000 2.767 254 H HA 0.093 4.652 4.556 0.004 0.000 0.316 254 H C -1.310 174.029 175.328 0.018 0.000 1.059 254 H CA -1.515 54.535 56.048 0.004 0.000 1.461 254 H CB 0.540 30.299 29.762 -0.005 0.000 1.475 254 H HN 0.084 nan 8.280 nan 0.000 0.531 255 P HA -0.156 nan 4.420 nan 0.000 0.215 255 P C 1.647 179.020 177.300 0.122 0.000 1.157 255 P CA 1.686 64.848 63.100 0.103 0.000 0.874 255 P CB 0.104 31.858 31.700 0.091 0.000 0.790 256 G N -0.451 108.439 108.800 0.149 0.000 2.422 256 G HA2 -0.302 3.660 3.960 0.003 0.000 0.218 256 G HA3 -0.302 3.660 3.960 0.003 0.000 0.218 256 G C 1.678 176.673 174.900 0.160 0.000 1.146 256 G CA 0.720 45.938 45.100 0.196 0.000 0.769 256 G HN 0.327 nan 8.290 nan 0.000 0.547 257 Q N 0.099 119.960 119.800 0.101 0.000 2.083 257 Q HA -0.058 4.284 4.340 0.003 0.000 0.198 257 Q C 2.468 178.501 176.000 0.055 0.000 0.969 257 Q CA 1.515 57.349 55.803 0.052 0.000 0.838 257 Q CB -0.198 28.586 28.738 0.077 0.000 0.900 257 Q HN 0.506 nan 8.270 nan 0.000 0.436 258 K N 0.194 120.637 120.400 0.071 0.000 2.063 258 K HA -0.235 4.087 4.320 0.003 0.000 0.208 258 K C 1.682 178.312 176.600 0.049 0.000 1.048 258 K CA 1.912 58.230 56.287 0.051 0.000 0.928 258 K CB -0.192 32.335 32.500 0.045 0.000 0.713 258 K HN 0.199 nan 8.250 nan 0.000 0.442 259 D N -0.118 120.327 120.400 0.074 0.000 2.097 259 D HA -0.123 4.519 4.640 0.003 0.000 0.195 259 D C 1.721 178.075 176.300 0.089 0.000 0.989 259 D CA 1.608 55.651 54.000 0.072 0.000 0.827 259 D CB -0.091 40.760 40.800 0.086 0.000 0.966 259 D HN 0.334 nan 8.370 nan 0.000 0.456 260 A N 0.548 123.460 122.820 0.153 0.000 1.883 260 A HA -0.014 4.308 4.320 0.003 0.000 0.217 260 A C 2.401 179.941 177.584 -0.072 0.000 1.186 260 A CA 2.477 54.581 52.037 0.112 0.000 0.624 260 A CB -1.207 17.785 19.000 -0.012 0.000 0.822 260 A HN 0.336 nan 8.150 nan 0.000 0.444 261 A N -0.214 122.561 122.820 -0.076 0.000 1.877 261 A HA 0.146 4.468 4.320 0.003 0.000 0.216 261 A C 2.531 180.084 177.584 -0.051 0.000 1.186 261 A CA 2.233 54.208 52.037 -0.102 0.000 0.620 261 A CB -1.088 17.912 19.000 -0.002 0.000 0.822 261 A HN 1.111 nan 8.150 nan 0.000 0.443 262 A N -0.249 122.565 122.820 -0.010 0.000 1.902 262 A HA -0.175 4.147 4.320 0.003 0.000 0.217 262 A C 2.236 179.810 177.584 -0.018 0.000 1.181 262 A CA 1.663 53.702 52.037 0.003 0.000 0.623 262 A CB -0.446 18.559 19.000 0.008 0.000 0.818 262 A HN 0.551 nan 8.150 nan 0.000 0.443 263 R N -0.681 119.797 120.500 -0.038 0.000 2.115 263 R HA 0.042 4.384 4.340 0.003 0.000 0.230 263 R C 2.004 178.249 176.300 -0.090 0.000 1.111 263 R CA 1.184 57.252 56.100 -0.054 0.000 0.976 263 R CB -0.412 29.862 30.300 -0.043 0.000 0.870 263 R HN 0.506 nan 8.270 nan 0.000 0.445 264 L N 0.132 121.248 121.223 -0.179 0.000 2.056 264 L HA -0.146 4.196 4.340 0.003 0.000 0.207 264 L C 2.514 179.362 176.870 -0.036 0.000 1.078 264 L CA 1.368 56.015 54.840 -0.322 0.000 0.749 264 L CB -0.315 41.174 42.059 -0.950 0.000 0.901 264 L HN 0.138 nan 8.230 nan 0.000 0.433 265 R N -0.081 120.457 120.500 0.063 0.000 2.091 265 R HA -0.157 4.185 4.340 0.003 0.000 0.238 265 R C 2.389 178.746 176.300 0.093 0.000 1.136 265 R CA 1.382 57.580 56.100 0.164 0.000 0.959 265 R CB -0.556 29.822 30.300 0.131 0.000 0.856 265 R HN 0.359 nan 8.270 nan 0.000 0.437 266 A N 1.362 124.204 122.820 0.038 0.000 1.902 266 A HA -0.147 4.175 4.320 0.003 0.000 0.217 266 A C 2.064 179.659 177.584 0.018 0.000 1.181 266 A CA 1.093 53.140 52.037 0.018 0.000 0.623 266 A CB -0.265 18.730 19.000 -0.008 0.000 0.818 266 A HN 0.104 nan 8.150 nan 0.000 0.443 267 R N -0.198 120.310 120.500 0.012 0.000 2.096 267 R HA -0.113 4.229 4.340 0.003 0.000 0.235 267 R C 1.904 178.236 176.300 0.053 0.000 1.127 267 R CA 1.748 57.856 56.100 0.013 0.000 0.968 267 R CB -1.355 28.942 30.300 -0.004 0.000 0.861 267 R HN 0.673 nan 8.270 nan 0.000 0.440 268 V N -0.687 119.290 119.914 0.105 0.000 3.577 268 V HA 0.110 4.232 4.120 0.003 0.000 0.294 268 V C 0.173 176.309 176.094 0.070 0.000 1.317 268 V CA -0.589 61.778 62.300 0.112 0.000 1.169 268 V CB -0.583 31.354 31.823 0.189 0.000 1.011 268 V HN -0.082 nan 8.190 nan 0.000 0.426 269 D N 1.366 121.798 120.400 0.054 0.000 2.458 269 D HA 0.427 5.069 4.640 0.003 0.000 0.243 269 D C 1.447 177.760 176.300 0.022 0.000 1.146 269 D CA 1.814 55.834 54.000 0.034 0.000 0.877 269 D CB 0.650 41.465 40.800 0.025 0.000 1.176 269 D HN 0.551 nan 8.370 nan 0.000 0.461 270 G N 2.360 111.169 108.800 0.013 0.000 2.176 270 G HA2 -0.264 3.698 3.960 0.003 0.000 0.253 270 G HA3 -0.264 3.698 3.960 0.003 0.000 0.253 270 G C 0.451 175.355 174.900 0.007 0.000 0.979 270 G CA 0.363 45.467 45.100 0.008 0.000 0.641 270 G HN 0.780 nan 8.290 nan 0.000 0.530 271 S N 0.025 115.731 115.700 0.010 0.000 2.565 271 S HA 0.682 5.154 4.470 0.003 0.000 0.274 271 S C 1.182 175.777 174.600 -0.008 0.000 1.309 271 S CA 0.787 58.992 58.200 0.008 0.000 1.043 271 S CB 1.353 64.564 63.200 0.019 0.000 0.939 271 S HN 1.602 nan 8.310 nan 0.000 0.504 272 A N 5.078 127.894 122.820 -0.008 0.000 2.470 272 A HA 0.346 4.668 4.320 0.003 0.000 0.251 272 A C 1.668 179.242 177.584 -0.016 0.000 1.245 272 A CA -0.354 51.674 52.037 -0.016 0.000 0.932 272 A CB 0.106 19.101 19.000 -0.008 0.000 1.037 272 A HN 0.720 nan 8.150 nan 0.000 0.522 273 R N -0.111 120.382 120.500 -0.012 0.000 2.290 273 R HA 0.115 4.457 4.340 0.003 0.000 0.197 273 R C 0.737 177.022 176.300 -0.025 0.000 0.913 273 R CA 0.878 56.972 56.100 -0.011 0.000 1.040 273 R CB -0.252 30.048 30.300 0.001 0.000 0.992 273 R HN 0.497 nan 8.270 nan 0.000 0.500 274 V N -1.419 118.471 119.914 -0.040 0.000 2.997 274 V HA 0.461 4.583 4.120 0.003 0.000 0.311 274 V C 0.470 176.507 176.094 -0.096 0.000 1.066 274 V CA -0.924 61.332 62.300 -0.074 0.000 1.039 274 V CB 1.950 33.719 31.823 -0.090 0.000 1.081 274 V HN -0.265 nan 8.190 nan 0.000 0.467 275 V N 3.432 123.276 119.914 -0.117 0.000 2.350 275 V HA 0.467 4.589 4.120 0.003 0.000 0.276 275 V C 0.971 176.965 176.094 -0.166 0.000 1.028 275 V CA -0.284 61.948 62.300 -0.113 0.000 0.860 275 V CB 0.738 32.531 31.823 -0.050 0.000 0.990 275 V HN 0.930 nan 8.190 nan 0.000 0.453 276 R N 1.495 121.840 120.500 -0.258 0.000 2.365 276 R HA 0.209 4.551 4.340 0.003 0.000 0.223 276 R C -0.004 176.184 176.300 -0.187 0.000 0.899 276 R CA -0.191 55.774 56.100 -0.225 0.000 1.059 276 R CB 0.224 30.392 30.300 -0.219 0.000 1.086 276 R HN 0.755 nan 8.270 nan 0.000 0.522 277 H N 0.165 119.211 119.070 -0.041 0.000 2.897 277 H HA 0.055 4.613 4.556 0.003 0.000 0.347 277 H C -0.192 175.115 175.328 -0.035 0.000 1.068 277 H CA -0.225 55.803 56.048 -0.032 0.000 1.426 277 H CB 0.951 30.696 29.762 -0.028 0.000 1.410 277 H HN -0.194 nan 8.280 nan 0.000 0.597 278 V N 5.920 125.894 119.914 0.102 0.000 2.408 278 V HA -0.043 4.079 4.120 0.003 0.000 0.267 278 V C 1.770 177.887 176.094 0.039 0.000 1.047 278 V CA 0.017 62.343 62.300 0.044 0.000 0.937 278 V CB 0.007 31.847 31.823 0.029 0.000 0.999 278 V HN 0.785 nan 8.190 nan 0.000 0.472 279 I N 3.398 123.981 120.570 0.022 0.000 2.264 279 I HA -0.163 4.009 4.170 0.003 0.000 0.248 279 I C 2.111 178.228 176.117 0.001 0.000 1.111 279 I CA 2.053 63.358 61.300 0.008 0.000 1.382 279 I CB -0.253 37.748 38.000 0.002 0.000 1.060 279 I HN 0.556 nan 8.210 nan 0.000 0.418 280 A N 1.000 123.822 122.820 0.004 0.000 2.178 280 A HA -0.116 4.206 4.320 0.003 0.000 0.218 280 A C 2.145 179.729 177.584 0.000 0.000 1.157 280 A CA 1.260 53.298 52.037 0.002 0.000 0.689 280 A CB -0.559 18.443 19.000 0.004 0.000 0.787 280 A HN 0.581 nan 8.150 nan 0.000 0.465 281 E N -0.006 120.196 120.200 0.003 0.000 2.152 281 E HA -0.112 4.240 4.350 0.003 0.000 0.192 281 E C 1.157 177.751 176.600 -0.011 0.000 0.983 281 E CA 0.180 56.581 56.400 0.000 0.000 0.818 281 E CB -0.217 29.489 29.700 0.009 0.000 0.758 281 E HN 0.632 nan 8.360 nan 0.000 0.467 282 R N 1.842 122.331 120.500 -0.018 0.000 2.449 282 R HA 0.066 4.408 4.340 0.003 0.000 0.296 282 R C -0.434 175.854 176.300 -0.019 0.000 1.047 282 R CA 0.036 56.119 56.100 -0.027 0.000 1.018 282 R CB 0.358 30.636 30.300 -0.036 0.000 0.962 282 R HN -0.130 nan 8.270 nan 0.000 0.428 283 R N 4.856 125.345 120.500 -0.019 0.000 2.265 283 R HA 0.286 4.628 4.340 0.003 0.000 0.319 283 R C -0.427 175.864 176.300 -0.016 0.000 1.006 283 R CA -0.524 55.567 56.100 -0.014 0.000 0.880 283 R CB 1.150 31.442 30.300 -0.013 0.000 1.077 283 R HN 0.465 nan 8.270 nan 0.000 0.454 284 L N 2.558 123.773 121.223 -0.013 0.000 2.375 284 L HA 0.321 4.663 4.340 0.003 0.000 0.271 284 L C 0.145 177.008 176.870 -0.011 0.000 1.107 284 L CA -0.385 54.447 54.840 -0.013 0.000 0.806 284 L CB 0.865 42.917 42.059 -0.011 0.000 1.146 284 L HN 0.484 nan 8.230 nan 0.000 0.447 285 D N 0.444 120.837 120.400 -0.012 0.000 2.340 285 D HA 0.303 4.945 4.640 0.003 0.000 0.243 285 D C 0.568 176.863 176.300 -0.009 0.000 0.988 285 D CA -0.410 53.584 54.000 -0.010 0.000 0.959 285 D CB 2.135 42.928 40.800 -0.011 0.000 1.226 285 D HN 0.562 nan 8.370 nan 0.000 0.509 286 A N 0.996 123.812 122.820 -0.007 0.000 1.978 286 A HA -0.098 4.224 4.320 0.003 0.000 0.220 286 A C 1.906 179.486 177.584 -0.007 0.000 1.170 286 A CA 2.112 54.145 52.037 -0.007 0.000 0.636 286 A CB -0.853 18.144 19.000 -0.006 0.000 0.810 286 A HN 0.636 nan 8.150 nan 0.000 0.448 287 G N -0.720 108.075 108.800 -0.008 0.000 2.534 287 G HA2 -0.115 3.847 3.960 0.003 0.000 0.217 287 G HA3 -0.115 3.847 3.960 0.003 0.000 0.217 287 G C 0.918 175.812 174.900 -0.009 0.000 1.128 287 G CA 0.973 46.069 45.100 -0.008 0.000 0.784 287 G HN 0.510 nan 8.290 nan 0.000 0.542 288 D N 0.473 120.867 120.400 -0.010 0.000 2.323 288 D HA 0.005 4.647 4.640 0.003 0.000 0.209 288 D C 1.028 177.322 176.300 -0.010 0.000 0.973 288 D CA -0.003 53.990 54.000 -0.011 0.000 0.874 288 D CB 0.370 41.162 40.800 -0.014 0.000 0.930 288 D HN 0.141 nan 8.370 nan 0.000 0.521 289 I N 1.538 122.103 120.570 -0.008 0.000 2.662 289 I HA 0.256 4.428 4.170 0.003 0.000 0.285 289 I C 1.406 177.519 176.117 -0.007 0.000 1.161 289 I CA 0.863 62.158 61.300 -0.007 0.000 1.415 289 I CB -0.153 37.843 38.000 -0.006 0.000 1.385 289 I HN 0.013 nan 8.210 nan 0.000 0.552 290 G N 5.611 114.407 108.800 -0.007 0.000 2.368 290 G HA2 0.116 4.078 3.960 0.003 0.000 0.269 290 G HA3 0.116 4.078 3.960 0.003 0.000 0.269 290 G C -1.101 173.794 174.900 -0.007 0.000 1.291 290 G CA -0.690 44.406 45.100 -0.007 0.000 0.903 290 G HN 0.385 nan 8.290 nan 0.000 0.483 291 T N 2.031 116.580 114.554 -0.007 0.000 2.743 291 T HA 0.558 4.910 4.350 0.003 0.000 0.292 291 T C -0.121 174.573 174.700 -0.009 0.000 0.972 291 T CA -0.215 61.880 62.100 -0.008 0.000 0.967 291 T CB 1.287 70.150 68.868 -0.007 0.000 0.926 291 T HN 0.443 nan 8.240 nan 0.000 0.459 292 E N 3.215 123.409 120.200 -0.009 0.000 2.283 292 E HA 0.196 4.548 4.350 0.003 0.000 0.267 292 E C -1.289 175.305 176.600 -0.010 0.000 1.045 292 E CA -2.012 54.382 56.400 -0.010 0.000 0.884 292 E CB 0.701 30.394 29.700 -0.012 0.000 1.106 292 E HN 0.327 nan 8.360 nan 0.000 0.408 293 P HA -0.153 nan 4.420 nan 0.000 0.216 293 P C -0.548 176.746 177.300 -0.011 0.000 1.153 293 P CA 1.449 64.542 63.100 -0.010 0.000 0.858 293 P CB 0.296 31.990 31.700 -0.010 0.000 0.789 294 E N -1.470 118.723 120.200 -0.011 0.000 2.369 294 E HA 0.610 4.962 4.350 0.003 0.000 0.270 294 E C -0.941 175.653 176.600 -0.011 0.000 0.909 294 E CA -1.179 55.214 56.400 -0.012 0.000 0.775 294 E CB 2.047 31.739 29.700 -0.012 0.000 1.270 294 E HN -0.097 nan 8.360 nan 0.000 0.445 295 A N 0.585 123.399 122.820 -0.010 0.000 2.332 295 A HA 0.451 4.773 4.320 0.003 0.000 0.258 295 A C 1.167 178.747 177.584 -0.006 0.000 1.087 295 A CA 0.272 52.304 52.037 -0.007 0.000 0.802 295 A CB 0.178 19.176 19.000 -0.005 0.000 1.042 295 A HN 0.788 nan 8.150 nan 0.000 0.489 296 G N -0.637 108.161 108.800 -0.003 0.000 2.679 296 G HA2 0.238 4.200 3.960 0.003 0.000 0.212 296 G HA3 0.238 4.200 3.960 0.003 0.000 0.212 296 G C 0.489 175.387 174.900 -0.004 0.000 1.137 296 G CA 0.429 45.526 45.100 -0.004 0.000 0.787 296 G HN 0.717 nan 8.290 nan 0.000 0.534 297 Q N 0.106 119.909 119.800 0.004 0.000 2.423 297 Q HA 0.315 4.657 4.340 0.003 0.000 0.278 297 Q C -1.415 174.595 176.000 0.016 0.000 1.097 297 Q CA -1.023 54.786 55.803 0.010 0.000 0.809 297 Q CB 2.069 30.829 28.738 0.037 0.000 1.391 297 Q HN 0.035 nan 8.270 nan 0.000 0.428 298 D N 0.679 121.087 120.400 0.014 0.000 2.383 298 D HA 0.358 5.000 4.640 0.003 0.000 0.248 298 D C -0.166 176.183 176.300 0.081 0.000 1.170 298 D CA -0.092 53.922 54.000 0.024 0.000 0.977 298 D CB 0.860 41.661 40.800 0.002 0.000 1.120 298 D HN 0.623 nan 8.370 nan 0.000 0.481 299 A N 0.495 123.353 122.820 0.063 0.000 2.386 299 A HA 0.003 4.325 4.320 0.003 0.000 0.246 299 A C 0.643 178.359 177.584 0.220 0.000 1.089 299 A CA -0.083 51.993 52.037 0.064 0.000 0.790 299 A CB -0.083 18.921 19.000 0.006 0.000 1.042 299 A HN 0.543 nan 8.150 nan 0.000 0.497 300 Y N 0.834 121.151 120.300 0.027 0.000 2.256 300 Y HA -0.183 4.370 4.550 0.005 0.000 0.288 300 Y C 2.884 178.817 175.900 0.055 0.000 1.155 300 Y CA 1.510 59.632 58.100 0.038 0.000 1.203 300 Y CB -1.325 37.149 38.460 0.023 0.000 0.980 300 Y HN 0.737 nan 8.280 nan 0.000 0.530 301 S N -1.065 114.760 115.700 0.208 0.000 2.500 301 S HA -0.091 4.381 4.470 0.003 0.000 0.239 301 S C 1.737 176.441 174.600 0.173 0.000 0.989 301 S CA 1.053 59.343 58.200 0.150 0.000 0.951 301 S CB -0.517 62.746 63.200 0.106 0.000 0.759 301 S HN 0.459 nan 8.310 nan 0.000 0.523 302 L N -0.451 120.894 121.223 0.204 0.000 2.638 302 L HA 0.366 4.708 4.340 0.003 0.000 0.195 302 L C 2.673 179.756 176.870 0.355 0.000 1.065 302 L CA 0.156 55.166 54.840 0.283 0.000 0.859 302 L CB -0.203 41.961 42.059 0.174 0.000 1.269 302 L HN 0.153 nan 8.230 nan 0.000 0.484 303 R N 0.029 120.659 120.500 0.218 0.000 2.096 303 R HA -0.138 4.204 4.340 0.003 0.000 0.235 303 R C 1.484 177.891 176.300 0.178 0.000 1.127 303 R CA 1.824 58.029 56.100 0.175 0.000 0.968 303 R CB -0.196 30.177 30.300 0.121 0.000 0.861 303 R HN 0.390 nan 8.270 nan 0.000 0.440 304 C N 0.333 119.699 119.300 0.111 0.000 2.688 304 C HA 0.440 4.902 4.460 0.003 0.000 0.297 304 C C 2.093 177.096 174.990 0.022 0.000 1.308 304 C CA -0.387 58.631 59.018 0.001 0.000 1.726 304 C CB -0.424 27.219 27.740 -0.161 0.000 1.982 304 C HN 0.626 nan 8.230 nan 0.000 0.604 305 A N 2.656 125.535 122.820 0.098 0.000 1.908 305 A HA -0.101 4.221 4.320 0.003 0.000 0.218 305 A C 0.017 177.518 177.584 -0.139 0.000 1.181 305 A CA 1.791 53.819 52.037 -0.015 0.000 0.627 305 A CB -1.549 17.447 19.000 -0.007 0.000 0.818 305 A HN 0.413 nan 8.150 nan 0.000 0.445 306 P HA -0.152 nan 4.420 nan 0.000 0.215 306 P C 1.268 178.490 177.300 -0.129 0.000 1.153 306 P CA 1.508 64.514 63.100 -0.158 0.000 0.853 306 P CB -0.048 31.606 31.700 -0.077 0.000 0.788 307 Q N -1.018 118.728 119.800 -0.090 0.000 2.083 307 Q HA -0.074 4.268 4.340 0.003 0.000 0.198 307 Q C 2.120 178.031 176.000 -0.148 0.000 0.969 307 Q CA 1.211 56.956 55.803 -0.098 0.000 0.838 307 Q CB -1.327 27.363 28.738 -0.080 0.000 0.900 307 Q HN 0.098 nan 8.270 nan 0.000 0.436 308 V N 0.247 120.070 119.914 -0.150 0.000 2.283 308 V HA -0.190 3.932 4.120 0.003 0.000 0.243 308 V C 2.081 178.015 176.094 -0.268 0.000 1.039 308 V CA 1.386 63.584 62.300 -0.169 0.000 1.016 308 V CB -0.577 31.176 31.823 -0.117 0.000 0.650 308 V HN 0.294 nan 8.190 nan 0.000 0.449 309 L N 0.618 121.633 121.223 -0.347 0.000 2.042 309 L HA -0.113 4.229 4.340 0.003 0.000 0.210 309 L C 2.661 178.975 176.870 -0.925 0.000 1.076 309 L CA 1.838 56.273 54.840 -0.675 0.000 0.749 309 L CB -1.204 40.448 42.059 -0.679 0.000 0.893 309 L HN 0.487 nan 8.230 nan 0.000 0.432 310 G N -0.469 108.020 108.800 -0.519 0.000 2.442 310 G HA2 -0.253 3.709 3.960 0.003 0.000 0.219 310 G HA3 -0.253 3.709 3.960 0.003 0.000 0.219 310 G C 1.758 176.549 174.900 -0.182 0.000 1.141 310 G CA 0.831 45.766 45.100 -0.276 0.000 0.763 310 G HN 0.480 nan 8.290 nan 0.000 0.554 311 A N 0.776 123.466 122.820 -0.217 0.000 1.930 311 A HA 0.202 4.524 4.320 0.003 0.000 0.217 311 A C 2.684 180.199 177.584 -0.115 0.000 1.175 311 A CA 1.977 53.908 52.037 -0.176 0.000 0.627 311 A CB -0.925 17.963 19.000 -0.187 0.000 0.815 311 A HN 0.495 nan 8.150 nan 0.000 0.443 312 G N -1.005 107.691 108.800 -0.174 0.000 2.402 312 G HA2 -0.113 3.849 3.960 0.003 0.000 0.216 312 G HA3 -0.113 3.849 3.960 0.003 0.000 0.216 312 G C 1.284 176.264 174.900 0.134 0.000 1.162 312 G CA 1.038 46.086 45.100 -0.086 0.000 0.777 312 G HN 0.376 nan 8.290 nan 0.000 0.539 313 F N 1.705 121.658 119.950 0.005 0.000 2.171 313 F HA 0.036 4.565 4.527 0.004 0.000 0.300 313 F C 2.301 178.125 175.800 0.040 0.000 1.090 313 F CA 0.398 58.413 58.000 0.025 0.000 1.293 313 F CB -0.643 38.366 39.000 0.014 0.000 1.013 313 F HN 0.115 nan 8.300 nan 0.000 0.486 314 D N -0.593 119.931 120.400 0.207 0.000 2.178 314 D HA -0.097 4.545 4.640 0.003 0.000 0.202 314 D C 2.210 178.616 176.300 0.177 0.000 0.974 314 D CA 1.353 55.442 54.000 0.149 0.000 0.841 314 D CB -0.343 40.493 40.800 0.061 0.000 0.953 314 D HN 0.198 nan 8.370 nan 0.000 0.478 315 T N 1.133 115.783 114.554 0.160 0.000 2.777 315 T HA -0.110 4.242 4.350 0.003 0.000 0.266 315 T C 1.897 176.761 174.700 0.275 0.000 1.040 315 T CA 0.373 62.606 62.100 0.222 0.000 1.141 315 T CB -0.197 68.754 68.868 0.138 0.000 0.868 315 T HN 0.044 nan 8.240 nan 0.000 0.444 316 L N 1.532 122.878 121.223 0.205 0.000 2.083 316 L HA 0.118 4.460 4.340 0.003 0.000 0.209 316 L C 2.546 179.537 176.870 0.200 0.000 1.083 316 L CA 1.685 56.624 54.840 0.164 0.000 0.752 316 L CB -0.990 41.148 42.059 0.132 0.000 0.899 316 L HN 0.212 nan 8.230 nan 0.000 0.433 317 A N -1.214 121.726 122.820 0.199 0.000 1.902 317 A HA -0.269 4.053 4.320 0.003 0.000 0.217 317 A C 2.119 179.843 177.584 0.234 0.000 1.181 317 A CA 1.676 53.819 52.037 0.177 0.000 0.623 317 A CB -1.405 17.690 19.000 0.158 0.000 0.818 317 A HN 0.735 nan 8.150 nan 0.000 0.443 318 W N 0.383 121.741 121.300 0.098 0.000 2.379 318 W HA -0.181 4.480 4.660 0.003 0.000 0.307 318 W C 2.260 178.845 176.519 0.110 0.000 1.200 318 W CA 1.892 59.290 57.345 0.088 0.000 1.297 318 W CB -0.751 28.754 29.460 0.076 0.000 1.140 318 W HN 0.628 nan 8.180 nan 0.000 0.507 319 H N 0.120 119.144 119.070 -0.078 0.000 2.319 319 H HA -0.173 4.385 4.556 0.004 0.000 0.297 319 H C 1.363 176.583 175.328 -0.180 0.000 1.097 319 H CA 2.412 58.310 56.048 -0.250 0.000 1.285 319 H CB -0.528 29.195 29.762 -0.064 0.000 1.368 319 H HN 0.056 nan 8.280 nan 0.000 0.495 320 D N 0.195 120.645 120.400 0.084 0.000 2.178 320 D HA -0.071 4.571 4.640 0.003 0.000 0.202 320 D C 2.601 178.869 176.300 -0.053 0.000 0.974 320 D CA 0.571 54.589 54.000 0.030 0.000 0.841 320 D CB -0.180 40.681 40.800 0.101 0.000 0.953 320 D HN 0.401 nan 8.370 nan 0.000 0.478 321 R N 0.294 120.771 120.500 -0.039 0.000 2.073 321 R HA -0.055 4.287 4.340 0.003 0.000 0.234 321 R C 2.341 178.580 176.300 -0.102 0.000 1.134 321 R CA 0.781 56.867 56.100 -0.025 0.000 0.952 321 R CB -0.541 29.791 30.300 0.054 0.000 0.850 321 R HN 0.100 nan 8.270 nan 0.000 0.433 322 V N 1.531 121.304 119.914 -0.236 0.000 2.343 322 V HA -0.223 3.899 4.120 0.003 0.000 0.247 322 V C 2.242 178.190 176.094 -0.244 0.000 1.051 322 V CA 1.454 63.594 62.300 -0.267 0.000 1.036 322 V CB -0.450 31.096 31.823 -0.462 0.000 0.654 322 V HN 0.226 nan 8.190 nan 0.000 0.451 323 L N -0.027 121.013 121.223 -0.306 0.000 2.083 323 L HA -0.131 4.211 4.340 0.003 0.000 0.209 323 L C 2.430 179.213 176.870 -0.145 0.000 1.083 323 L CA 2.308 56.995 54.840 -0.256 0.000 0.752 323 L CB -0.952 40.905 42.059 -0.337 0.000 0.899 323 L HN 0.336 nan 8.230 nan 0.000 0.433 324 T N -0.201 114.293 114.554 -0.100 0.000 2.746 324 T HA -0.147 4.205 4.350 0.003 0.000 0.267 324 T C 1.959 176.641 174.700 -0.031 0.000 1.039 324 T CA 1.958 64.033 62.100 -0.043 0.000 1.142 324 T CB -0.273 68.612 68.868 0.028 0.000 0.866 324 T HN 0.316 nan 8.240 nan 0.000 0.444 325 I N 0.652 121.192 120.570 -0.050 0.000 2.202 325 I HA -0.134 4.038 4.170 0.003 0.000 0.242 325 I C 2.718 178.782 176.117 -0.089 0.000 1.091 325 I CA 1.235 62.501 61.300 -0.056 0.000 1.368 325 I CB -0.289 37.656 38.000 -0.092 0.000 1.058 325 I HN 0.194 nan 8.210 nan 0.000 0.410 326 E N 1.309 121.435 120.200 -0.124 0.000 2.051 326 E HA -0.263 4.089 4.350 0.003 0.000 0.192 326 E C 2.037 178.584 176.600 -0.088 0.000 0.991 326 E CA 1.349 57.678 56.400 -0.119 0.000 0.799 326 E CB -0.304 29.320 29.700 -0.125 0.000 0.748 326 E HN 0.307 nan 8.360 nan 0.000 0.449 327 L N 0.975 122.144 121.223 -0.089 0.000 2.079 327 L HA -0.114 4.228 4.340 0.003 0.000 0.210 327 L C 1.233 178.053 176.870 -0.083 0.000 1.081 327 L CA 1.857 56.647 54.840 -0.084 0.000 0.752 327 L CB -0.440 41.562 42.059 -0.096 0.000 0.896 327 L HN 0.151 nan 8.230 nan 0.000 0.433 328 N N -0.099 118.553 118.700 -0.080 0.000 2.322 328 N HA 0.191 4.933 4.740 0.003 0.000 0.194 328 N C 0.344 175.838 175.510 -0.027 0.000 1.126 328 N CA 0.626 53.642 53.050 -0.056 0.000 0.845 328 N CB 0.205 38.678 38.487 -0.023 0.000 0.976 328 N HN 0.434 nan 8.380 nan 0.000 0.475 329 A N 0.255 123.049 122.820 -0.044 0.000 2.248 329 A HA 0.575 4.897 4.320 0.003 0.000 0.316 329 A C 0.015 177.576 177.584 -0.039 0.000 1.101 329 A CA -0.382 51.628 52.037 -0.045 0.000 0.875 329 A CB 0.996 19.953 19.000 -0.072 0.000 1.207 329 A HN -0.038 nan 8.150 nan 0.000 0.504 330 V N 1.227 121.117 119.914 -0.039 0.000 2.311 330 V HA 0.294 4.416 4.120 0.003 0.000 0.275 330 V C 0.874 176.944 176.094 -0.039 0.000 1.022 330 V CA 0.386 62.668 62.300 -0.030 0.000 0.830 330 V CB 0.653 32.460 31.823 -0.027 0.000 1.012 330 V HN 1.038 nan 8.190 nan 0.000 0.452 331 T N -0.708 113.832 114.554 -0.022 0.000 3.145 331 T HA 0.191 4.543 4.350 0.003 0.000 0.255 331 T C 0.183 174.903 174.700 0.033 0.000 1.039 331 T CA -0.521 61.571 62.100 -0.013 0.000 0.928 331 T CB -0.335 68.535 68.868 0.003 0.000 1.029 331 T HN 0.535 nan 8.240 nan 0.000 0.554 332 D N 2.550 122.960 120.400 0.018 0.000 2.357 332 D HA 0.487 5.129 4.640 0.003 0.000 0.242 332 D C -0.075 176.243 176.300 0.029 0.000 1.153 332 D CA 0.098 54.121 54.000 0.039 0.000 0.918 332 D CB 0.467 41.272 40.800 0.008 0.000 1.181 332 D HN 0.336 nan 8.370 nan 0.000 0.435 333 N N 0.162 118.907 118.700 0.075 0.000 2.503 333 N HA 0.286 5.028 4.740 0.003 0.000 0.287 333 N C -2.921 172.609 175.510 0.032 0.000 1.096 333 N CA -1.360 51.710 53.050 0.034 0.000 0.936 333 N CB 1.852 40.491 38.487 0.253 0.000 1.570 333 N HN 0.022 nan 8.380 nan 0.000 0.504 334 P HA 0.261 nan 4.420 nan 0.000 0.279 334 P C -1.107 175.861 177.300 -0.554 0.000 1.282 334 P CA -0.457 62.368 63.100 -0.459 0.000 0.788 334 P CB 1.252 32.503 31.700 -0.748 0.000 1.139 335 V N -0.226 119.264 119.914 -0.707 0.000 2.962 335 V HA 0.540 4.662 4.120 0.003 0.000 0.313 335 V C -1.462 174.146 176.094 -0.810 0.000 1.099 335 V CA -0.865 61.051 62.300 -0.640 0.000 0.971 335 V CB 1.596 33.253 31.823 -0.276 0.000 1.028 335 V HN 0.254 nan 8.190 nan 0.000 0.430 336 F N 5.228 125.161 119.950 -0.029 0.000 2.325 336 F HA 0.536 5.066 4.527 0.003 0.000 0.369 336 F C -2.194 173.598 175.800 -0.012 0.000 1.095 336 F CA -2.694 55.296 58.000 -0.017 0.000 1.082 336 F CB 1.038 40.035 39.000 -0.005 0.000 1.289 336 F HN 0.286 nan 8.300 nan 0.000 0.462 337 P HA -0.005 nan 4.420 nan 0.000 0.256 337 P C -1.988 175.354 177.300 0.071 0.000 1.173 337 P CA -0.621 62.511 63.100 0.053 0.000 0.768 337 P CB 0.430 32.149 31.700 0.032 0.000 0.758 338 P HA -0.182 nan 4.420 nan 0.000 0.219 338 P C 0.809 178.130 177.300 0.034 0.000 1.146 338 P CA 1.347 64.474 63.100 0.045 0.000 0.808 338 P CB -0.107 31.612 31.700 0.032 0.000 0.779 339 D N -1.700 118.717 120.400 0.028 0.000 2.363 339 D HA 0.026 4.668 4.640 0.003 0.000 0.220 339 D C 1.442 177.758 176.300 0.027 0.000 0.994 339 D CA 0.878 54.891 54.000 0.022 0.000 0.890 339 D CB -1.228 39.582 40.800 0.016 0.000 0.906 339 D HN 0.175 nan 8.370 nan 0.000 0.530 340 G N 0.125 108.947 108.800 0.037 0.000 2.153 340 G HA2 -0.383 3.579 3.960 0.003 0.000 0.252 340 G HA3 -0.383 3.579 3.960 0.003 0.000 0.252 340 G C 1.248 176.170 174.900 0.038 0.000 0.994 340 G CA 1.137 46.262 45.100 0.042 0.000 0.698 340 G HN 0.641 nan 8.290 nan 0.000 0.521 341 S N -1.384 114.335 115.700 0.032 0.000 2.359 341 S HA 0.148 4.620 4.470 0.003 0.000 0.224 341 S C 1.251 175.871 174.600 0.033 0.000 1.035 341 S CA 2.010 60.226 58.200 0.026 0.000 1.018 341 S CB -0.489 62.722 63.200 0.019 0.000 0.876 341 S HN 2.030 nan 8.310 nan 0.000 0.448 342 V N -3.285 116.653 119.914 0.041 0.000 3.040 342 V HA 0.571 4.693 4.120 0.003 0.000 0.312 342 V C -2.469 173.672 176.094 0.078 0.000 1.115 342 V CA -2.203 60.128 62.300 0.052 0.000 0.998 342 V CB 1.257 33.106 31.823 0.043 0.000 1.042 342 V HN -0.098 nan 8.190 nan 0.000 0.433 343 P HA 0.184 nan 4.420 nan 0.000 0.215 343 P C 0.284 177.715 177.300 0.220 0.000 1.153 343 P CA 2.179 65.368 63.100 0.148 0.000 0.853 343 P CB 0.173 31.958 31.700 0.141 0.000 0.788 344 A N -1.990 120.909 122.820 0.131 0.000 2.608 344 A HA 0.627 4.949 4.320 0.003 0.000 0.292 344 A C -1.806 175.732 177.584 -0.077 0.000 1.066 344 A CA -0.559 51.468 52.037 -0.017 0.000 0.676 344 A CB 0.462 19.438 19.000 -0.041 0.000 1.277 344 A HN -0.054 nan 8.150 nan 0.000 0.413 345 L N 1.170 122.252 121.223 -0.236 0.000 2.346 345 L HA 0.621 4.963 4.340 0.003 0.000 0.274 345 L C -0.936 175.747 176.870 -0.312 0.000 1.007 345 L CA -0.661 54.086 54.840 -0.156 0.000 0.818 345 L CB 2.074 44.055 42.059 -0.129 0.000 1.284 345 L HN 0.840 nan 8.230 nan 0.000 0.424 346 H N 1.092 120.100 119.070 -0.103 0.000 2.589 346 H HA 0.736 5.294 4.556 0.003 0.000 0.335 346 H C 0.121 175.392 175.328 -0.095 0.000 1.019 346 H CA -0.154 55.834 56.048 -0.100 0.000 1.213 346 H CB 1.963 31.668 29.762 -0.096 0.000 1.472 346 H HN 0.742 nan 8.280 nan 0.000 0.508 347 G N 0.740 109.526 108.800 -0.024 0.000 2.793 347 G HA2 0.441 4.403 3.960 0.003 0.000 0.248 347 G HA3 0.441 4.403 3.960 0.003 0.000 0.248 347 G C -0.312 174.465 174.900 -0.206 0.000 1.198 347 G CA -0.275 44.771 45.100 -0.090 0.000 0.865 347 G HN 0.655 nan 8.290 nan 0.000 0.534 348 G N 0.062 108.617 108.800 -0.409 0.000 4.716 348 G HA2 0.298 4.260 3.960 0.003 0.000 0.282 348 G HA3 0.298 4.260 3.960 0.003 0.000 0.282 348 G C 0.246 174.539 174.900 -1.012 0.000 1.173 348 G CA -0.137 44.354 45.100 -1.014 0.000 0.913 348 G HN 0.263 nan 8.290 nan 0.000 0.566 349 N N 0.875 119.203 118.700 -0.620 0.000 2.609 349 N HA -0.046 4.696 4.740 0.003 0.000 0.190 349 N C 1.498 176.847 175.510 -0.269 0.000 1.157 349 N CA 0.354 53.194 53.050 -0.350 0.000 0.918 349 N CB -0.149 38.225 38.487 -0.189 0.000 0.978 349 N HN 0.635 nan 8.380 nan 0.000 0.448 350 F N -1.143 118.788 119.950 -0.032 0.000 2.789 350 F HA 0.326 4.854 4.527 0.003 0.000 0.300 350 F C 0.825 176.621 175.800 -0.007 0.000 1.132 350 F CA -0.783 57.204 58.000 -0.022 0.000 1.404 350 F CB -0.705 38.281 39.000 -0.023 0.000 1.114 350 F HN -0.168 nan 8.300 nan 0.000 0.584 351 M N 2.723 122.275 119.600 -0.080 0.000 2.350 351 M HA 0.358 4.840 4.480 0.003 0.000 0.338 351 M C 0.964 177.303 176.300 0.064 0.000 1.559 351 M CA -0.502 54.839 55.300 0.068 0.000 1.217 351 M CB 0.215 32.776 32.600 -0.065 0.000 1.808 351 M HN 0.232 nan 8.290 nan 0.000 0.458 352 G N 3.479 112.338 108.800 0.099 0.000 3.452 352 G HA2 0.031 3.993 3.960 0.003 0.000 0.258 352 G HA3 0.031 3.993 3.960 0.003 0.000 0.258 352 G C 0.682 175.617 174.900 0.060 0.000 1.305 352 G CA -0.188 44.956 45.100 0.074 0.000 1.514 352 G HN 0.817 nan 8.290 nan 0.000 0.593 353 Q N -0.024 119.809 119.800 0.054 0.000 2.167 353 Q HA -0.091 4.251 4.340 0.003 0.000 0.202 353 Q C 1.934 177.902 176.000 -0.054 0.000 0.970 353 Q CA 1.437 57.238 55.803 -0.003 0.000 0.855 353 Q CB -0.113 28.601 28.738 -0.039 0.000 0.911 353 Q HN 0.716 nan 8.270 nan 0.000 0.438 354 H N -1.722 117.323 119.070 -0.041 0.000 2.321 354 H HA -0.065 4.493 4.556 0.004 0.000 0.300 354 H C 1.800 177.047 175.328 -0.135 0.000 1.087 354 H CA 1.762 57.758 56.048 -0.085 0.000 1.319 354 H CB -0.022 29.677 29.762 -0.106 0.000 1.379 354 H HN 0.070 nan 8.280 nan 0.000 0.501 355 V N 0.480 120.400 119.914 0.009 0.000 2.515 355 V HA -0.207 3.915 4.120 0.003 0.000 0.250 355 V C 2.478 178.560 176.094 -0.020 0.000 1.058 355 V CA 1.352 63.620 62.300 -0.052 0.000 1.064 355 V CB -0.888 30.916 31.823 -0.032 0.000 0.675 355 V HN 0.566 nan 8.190 nan 0.000 0.461 356 A N 0.091 122.912 122.820 0.003 0.000 1.858 356 A HA -0.162 4.160 4.320 0.003 0.000 0.216 356 A C 2.197 179.795 177.584 0.023 0.000 1.190 356 A CA 1.825 53.874 52.037 0.020 0.000 0.617 356 A CB -0.535 18.479 19.000 0.023 0.000 0.827 356 A HN 0.482 nan 8.150 nan 0.000 0.443 357 L N -0.130 121.096 121.223 0.004 0.000 2.093 357 L HA -0.146 4.196 4.340 0.003 0.000 0.208 357 L C 2.975 179.892 176.870 0.078 0.000 1.085 357 L CA 1.799 56.672 54.840 0.055 0.000 0.755 357 L CB -0.928 41.175 42.059 0.074 0.000 0.904 357 L HN 0.672 nan 8.230 nan 0.000 0.435 358 T N -4.686 109.815 114.554 -0.087 0.000 2.904 358 T HA -0.083 4.269 4.350 0.003 0.000 0.267 358 T C 2.029 176.810 174.700 0.135 0.000 1.059 358 T CA 1.196 63.201 62.100 -0.158 0.000 1.137 358 T CB -0.192 68.369 68.868 -0.511 0.000 0.879 358 T HN 0.112 nan 8.240 nan 0.000 0.467 359 S N 1.635 117.407 115.700 0.121 0.000 2.368 359 S HA -0.094 4.378 4.470 0.003 0.000 0.224 359 S C 1.852 176.516 174.600 0.106 0.000 1.029 359 S CA 1.206 59.499 58.200 0.155 0.000 0.988 359 S CB -0.535 62.732 63.200 0.112 0.000 0.838 359 S HN 0.516 nan 8.310 nan 0.000 0.462 360 D N 1.625 122.081 120.400 0.093 0.000 2.117 360 D HA 0.002 4.644 4.640 0.003 0.000 0.197 360 D C 2.109 178.463 176.300 0.091 0.000 0.987 360 D CA 1.187 55.235 54.000 0.080 0.000 0.829 360 D CB -0.414 40.428 40.800 0.070 0.000 0.961 360 D HN 0.373 nan 8.370 nan 0.000 0.460 361 A N 0.645 123.554 122.820 0.148 0.000 1.898 361 A HA -0.127 4.195 4.320 0.003 0.000 0.216 361 A C 2.140 179.796 177.584 0.120 0.000 1.181 361 A CA 0.920 53.063 52.037 0.176 0.000 0.620 361 A CB -0.658 18.569 19.000 0.377 0.000 0.819 361 A HN 0.244 nan 8.150 nan 0.000 0.442 362 L N -0.218 121.070 121.223 0.109 0.000 2.093 362 L HA -0.017 4.325 4.340 0.003 0.000 0.208 362 L C 2.631 179.488 176.870 -0.021 0.000 1.085 362 L CA 2.042 56.891 54.840 0.015 0.000 0.755 362 L CB -0.801 41.189 42.059 -0.115 0.000 0.904 362 L HN 0.338 nan 8.230 nan 0.000 0.435 363 A N -1.547 121.275 122.820 0.004 0.000 1.908 363 A HA -0.214 4.108 4.320 0.003 0.000 0.218 363 A C 2.266 179.826 177.584 -0.040 0.000 1.181 363 A CA 2.332 54.363 52.037 -0.010 0.000 0.627 363 A CB -1.192 17.820 19.000 0.019 0.000 0.818 363 A HN 0.507 nan 8.150 nan 0.000 0.445 364 T N 0.196 114.736 114.554 -0.023 0.000 2.746 364 T HA -0.000 4.352 4.350 0.003 0.000 0.267 364 T C 2.244 176.889 174.700 -0.092 0.000 1.039 364 T CA 1.561 63.635 62.100 -0.043 0.000 1.142 364 T CB -0.457 68.401 68.868 -0.018 0.000 0.866 364 T HN 0.605 nan 8.240 nan 0.000 0.444 365 A N 0.970 123.736 122.820 -0.089 0.000 1.902 365 A HA -0.061 4.261 4.320 0.003 0.000 0.217 365 A C 2.579 179.992 177.584 -0.286 0.000 1.181 365 A CA 1.368 53.319 52.037 -0.144 0.000 0.623 365 A CB -1.052 17.899 19.000 -0.082 0.000 0.818 365 A HN 0.352 nan 8.150 nan 0.000 0.443 366 V N -0.246 119.486 119.914 -0.303 0.000 2.343 366 V HA -0.225 3.897 4.120 0.003 0.000 0.247 366 V C 2.736 178.501 176.094 -0.549 0.000 1.051 366 V CA 2.462 64.432 62.300 -0.550 0.000 1.036 366 V CB -1.161 30.508 31.823 -0.256 0.000 0.654 366 V HN 0.623 nan 8.190 nan 0.000 0.451 367 T N -0.277 114.104 114.554 -0.288 0.000 2.821 367 T HA -0.142 4.210 4.350 0.003 0.000 0.267 367 T C 1.940 176.505 174.700 -0.226 0.000 1.046 367 T CA 1.506 63.480 62.100 -0.209 0.000 1.139 367 T CB -0.152 68.651 68.868 -0.109 0.000 0.871 367 T HN 0.282 nan 8.240 nan 0.000 0.454 368 V N 1.186 120.964 119.914 -0.226 0.000 2.295 368 V HA -0.094 4.028 4.120 0.003 0.000 0.246 368 V C 2.378 178.329 176.094 -0.238 0.000 1.049 368 V CA 1.326 63.513 62.300 -0.188 0.000 1.024 368 V CB -0.534 31.193 31.823 -0.160 0.000 0.648 368 V HN 0.321 nan 8.190 nan 0.000 0.447 369 L N 0.268 121.253 121.223 -0.396 0.000 2.141 369 L HA -0.019 4.323 4.340 0.003 0.000 0.209 369 L C 2.530 179.184 176.870 -0.359 0.000 1.094 369 L CA 2.007 56.602 54.840 -0.408 0.000 0.763 369 L CB -1.132 40.557 42.059 -0.617 0.000 0.908 369 L HN 0.281 nan 8.230 nan 0.000 0.437 370 A N -0.573 121.905 122.820 -0.570 0.000 1.969 370 A HA -0.043 4.279 4.320 0.003 0.000 0.218 370 A C 2.419 179.979 177.584 -0.040 0.000 1.169 370 A CA 1.430 53.331 52.037 -0.226 0.000 0.635 370 A CB -1.185 17.699 19.000 -0.193 0.000 0.810 370 A HN 0.416 nan 8.150 nan 0.000 0.445 371 G N -0.074 108.673 108.800 -0.088 0.000 2.422 371 G HA2 -0.123 3.839 3.960 0.003 0.000 0.218 371 G HA3 -0.123 3.839 3.960 0.003 0.000 0.218 371 G C 1.473 176.374 174.900 0.002 0.000 1.146 371 G CA 1.178 46.259 45.100 -0.032 0.000 0.769 371 G HN 0.506 nan 8.290 nan 0.000 0.547 372 L N 1.409 122.628 121.223 -0.007 0.000 2.017 372 L HA 0.170 4.512 4.340 0.003 0.000 0.208 372 L C 3.022 179.935 176.870 0.072 0.000 1.073 372 L CA 2.300 57.158 54.840 0.030 0.000 0.745 372 L CB -0.809 41.260 42.059 0.016 0.000 0.894 372 L HN 0.210 nan 8.230 nan 0.000 0.432 373 A N -0.845 122.044 122.820 0.114 0.000 1.908 373 A HA -0.237 4.085 4.320 0.003 0.000 0.218 373 A C 2.330 179.973 177.584 0.099 0.000 1.181 373 A CA 1.765 53.888 52.037 0.143 0.000 0.627 373 A CB -0.794 18.352 19.000 0.242 0.000 0.818 373 A HN 0.605 nan 8.150 nan 0.000 0.445 374 E N -0.084 120.168 120.200 0.085 0.000 2.110 374 E HA -0.193 4.159 4.350 0.003 0.000 0.193 374 E C 2.039 178.672 176.600 0.056 0.000 0.988 374 E CA 0.859 57.298 56.400 0.066 0.000 0.804 374 E CB -0.194 29.539 29.700 0.055 0.000 0.745 374 E HN 0.383 nan 8.360 nan 0.000 0.458 375 R N 0.285 120.816 120.500 0.051 0.000 2.148 375 R HA -0.020 4.322 4.340 0.003 0.000 0.223 375 R C 2.339 178.669 176.300 0.049 0.000 1.088 375 R CA 0.713 56.840 56.100 0.046 0.000 0.985 375 R CB -0.329 29.997 30.300 0.042 0.000 0.880 375 R HN 0.389 nan 8.270 nan 0.000 0.451 376 Q N 0.033 119.868 119.800 0.058 0.000 2.119 376 Q HA -0.019 4.323 4.340 0.003 0.000 0.201 376 Q C 2.149 178.173 176.000 0.040 0.000 0.972 376 Q CA 1.051 56.889 55.803 0.057 0.000 0.847 376 Q CB -0.041 28.741 28.738 0.073 0.000 0.903 376 Q HN 0.300 nan 8.270 nan 0.000 0.433 377 I N 0.556 121.150 120.570 0.041 0.000 2.252 377 I HA -0.248 3.924 4.170 0.003 0.000 0.245 377 I C 2.401 178.545 176.117 0.045 0.000 1.102 377 I CA 0.904 62.222 61.300 0.030 0.000 1.385 377 I CB -0.397 37.625 38.000 0.037 0.000 1.064 377 I HN 0.144 nan 8.210 nan 0.000 0.414 378 A N 0.749 123.601 122.820 0.054 0.000 1.972 378 A HA -0.246 4.076 4.320 0.003 0.000 0.219 378 A C 2.434 180.035 177.584 0.029 0.000 1.169 378 A CA 1.875 53.948 52.037 0.059 0.000 0.635 378 A CB -0.608 18.425 19.000 0.054 0.000 0.810 378 A HN 0.400 nan 8.150 nan 0.000 0.446 379 R N -1.029 119.483 120.500 0.019 0.000 2.066 379 R HA 0.013 4.355 4.340 0.003 0.000 0.224 379 R C 2.012 178.302 176.300 -0.015 0.000 1.122 379 R CA 1.233 57.334 56.100 0.000 0.000 0.974 379 R CB -0.383 29.924 30.300 0.011 0.000 0.871 379 R HN 0.384 nan 8.270 nan 0.000 0.435 380 L N 1.230 122.449 121.223 -0.006 0.000 2.131 380 L HA -0.107 4.235 4.340 0.003 0.000 0.210 380 L C 1.959 178.806 176.870 -0.039 0.000 1.092 380 L CA 2.409 57.237 54.840 -0.020 0.000 0.759 380 L CB -0.448 41.599 42.059 -0.019 0.000 0.903 380 L HN 0.433 nan 8.230 nan 0.000 0.435 381 T N -4.250 110.285 114.554 -0.033 0.000 3.107 381 T HA 0.026 4.378 4.350 0.003 0.000 0.249 381 T C 0.730 175.236 174.700 -0.324 0.000 1.096 381 T CA -0.109 61.948 62.100 -0.071 0.000 1.012 381 T CB -0.457 68.494 68.868 0.139 0.000 0.977 381 T HN 0.249 nan 8.240 nan 0.000 0.527 382 D N 2.620 122.889 120.400 -0.219 0.000 2.347 382 D HA 0.075 4.717 4.640 0.003 0.000 0.235 382 D C 1.316 177.496 176.300 -0.200 0.000 1.149 382 D CA -0.299 53.547 54.000 -0.256 0.000 0.850 382 D CB 1.270 41.999 40.800 -0.118 0.000 1.061 382 D HN 0.612 nan 8.370 nan 0.000 0.487 383 E N 3.314 123.369 120.200 -0.242 0.000 2.267 383 E HA -0.209 4.143 4.350 0.003 0.000 0.197 383 E C 1.057 177.608 176.600 -0.082 0.000 0.998 383 E CA 0.818 57.137 56.400 -0.135 0.000 0.830 383 E CB 0.071 29.704 29.700 -0.111 0.000 0.751 383 E HN 0.376 nan 8.360 nan 0.000 0.491 384 R N 0.039 120.492 120.500 -0.079 0.000 2.240 384 R HA 0.163 4.505 4.340 0.003 0.000 0.203 384 R C 1.750 178.024 176.300 -0.043 0.000 1.011 384 R CA 0.582 56.653 56.100 -0.049 0.000 1.007 384 R CB 0.172 30.449 30.300 -0.039 0.000 0.911 384 R HN 0.286 nan 8.270 nan 0.000 0.468 385 L N 0.113 121.305 121.223 -0.052 0.000 2.781 385 L HA 0.115 4.457 4.340 0.003 0.000 0.245 385 L C 0.587 177.435 176.870 -0.036 0.000 1.118 385 L CA -0.098 54.718 54.840 -0.039 0.000 0.918 385 L CB 0.181 42.218 42.059 -0.036 0.000 1.246 385 L HN 0.112 nan 8.230 nan 0.000 0.526 386 N N 0.820 119.493 118.700 -0.046 0.000 2.362 386 N HA -0.032 4.710 4.740 0.003 0.000 0.204 386 N C 0.068 175.562 175.510 -0.028 0.000 1.166 386 N CA -0.301 52.727 53.050 -0.037 0.000 0.831 386 N CB -0.163 38.295 38.487 -0.048 0.000 1.008 386 N HN 0.056 nan 8.380 nan 0.000 0.472 387 R N -0.456 120.029 120.500 -0.025 0.000 3.188 387 R HA -0.172 4.170 4.340 0.003 0.000 0.247 387 R C 0.785 177.075 176.300 -0.017 0.000 0.918 387 R CA 0.504 56.592 56.100 -0.019 0.000 0.629 387 R CB -2.030 28.260 30.300 -0.016 0.000 1.087 387 R HN 0.640 nan 8.270 nan 0.000 0.462 388 G N -1.051 107.738 108.800 -0.019 0.000 2.194 388 G HA2 -0.294 3.668 3.960 0.003 0.000 0.236 388 G HA3 -0.294 3.668 3.960 0.003 0.000 0.236 388 G C 0.272 175.162 174.900 -0.017 0.000 0.987 388 G CA 0.026 45.117 45.100 -0.015 0.000 0.635 388 G HN 0.255 nan 8.290 nan 0.000 0.520 389 L N 1.599 122.809 121.223 -0.022 0.000 2.436 389 L HA 0.407 4.749 4.340 0.003 0.000 0.265 389 L C -1.598 175.257 176.870 -0.025 0.000 1.168 389 L CA -1.945 52.881 54.840 -0.023 0.000 0.815 389 L CB 0.543 42.589 42.059 -0.022 0.000 1.109 389 L HN -0.074 nan 8.230 nan 0.000 0.462 390 P HA 0.053 nan 4.420 nan 0.000 0.269 390 P C -2.477 174.848 177.300 0.043 0.000 1.215 390 P CA -0.934 62.163 63.100 -0.006 0.000 0.780 390 P CB -0.156 31.443 31.700 -0.168 0.000 0.898 391 P HA -0.002 nan 4.420 nan 0.000 0.267 391 P C -0.268 177.096 177.300 0.106 0.000 1.209 391 P CA 0.339 63.398 63.100 -0.068 0.000 0.763 391 P CB -0.170 31.532 31.700 0.003 0.000 0.816 392 F N 1.680 121.726 119.950 0.162 0.000 3.034 392 F HA -0.242 4.286 4.527 0.001 0.000 0.286 392 F C 1.307 177.278 175.800 0.285 0.000 0.804 392 F CA 0.354 58.474 58.000 0.199 0.000 1.161 392 F CB -2.622 36.485 39.000 0.178 0.000 1.317 392 F HN 0.276 nan 8.300 nan 0.000 0.453 393 L N -1.650 119.741 121.223 0.281 0.000 3.737 393 L HA -0.316 4.026 4.340 0.003 0.000 0.418 393 L C 1.313 178.339 176.870 0.260 0.000 1.216 393 L CA 1.046 56.029 54.840 0.237 0.000 0.915 393 L CB -1.978 40.240 42.059 0.265 0.000 1.834 393 L HN 0.696 nan 8.230 nan 0.000 0.943 394 H N 0.455 119.647 119.070 0.204 0.000 2.603 394 H HA 0.658 5.216 4.556 0.004 0.000 0.370 394 H C 0.262 175.644 175.328 0.090 0.000 1.225 394 H CA -0.436 55.688 56.048 0.127 0.000 1.410 394 H CB 0.908 30.735 29.762 0.109 0.000 1.495 394 H HN 0.298 nan 8.280 nan 0.000 0.602 395 R N -0.042 120.471 120.500 0.021 0.000 2.888 395 R HA 0.475 4.817 4.340 0.003 0.000 0.266 395 R C -0.283 176.112 176.300 0.159 0.000 1.020 395 R CA -0.240 55.846 56.100 -0.024 0.000 0.963 395 R CB 2.087 32.392 30.300 0.009 0.000 1.197 395 R HN 1.099 nan 8.270 nan 0.000 0.481 396 G N 1.370 110.236 108.800 0.109 0.000 2.760 396 G HA2 -0.187 3.775 3.960 0.003 0.000 0.246 396 G HA3 -0.187 3.775 3.960 0.003 0.000 0.246 396 G C -2.729 172.294 174.900 0.204 0.000 1.359 396 G CA -1.211 43.966 45.100 0.128 0.000 0.861 396 G HN 0.387 nan 8.290 nan 0.000 0.541 397 P HA 0.471 nan 4.420 nan 0.000 0.267 397 P C 0.378 177.700 177.300 0.036 0.000 1.205 397 P CA 0.775 63.934 63.100 0.099 0.000 0.765 397 P CB 0.810 32.536 31.700 0.044 0.000 0.828 398 A N 3.423 126.250 122.820 0.012 0.000 2.445 398 A HA 0.481 4.803 4.320 0.003 0.000 0.242 398 A C 1.589 179.070 177.584 -0.173 0.000 1.075 398 A CA 0.810 52.663 52.037 -0.306 0.000 0.777 398 A CB -0.955 17.972 19.000 -0.121 0.000 1.013 398 A HN 0.808 nan 8.150 nan 0.000 0.493 399 G N 0.416 109.094 108.800 -0.204 0.000 3.206 399 G HA2 -0.303 3.659 3.960 0.003 0.000 0.217 399 G HA3 -0.303 3.659 3.960 0.003 0.000 0.217 399 G C 1.064 175.912 174.900 -0.086 0.000 1.350 399 G CA 0.525 45.565 45.100 -0.100 0.000 0.836 399 G HN 0.856 nan 8.290 nan 0.000 0.548 400 L N 0.938 122.117 121.223 -0.072 0.000 2.201 400 L HA 0.163 4.505 4.340 0.003 0.000 0.212 400 L C 0.781 177.618 176.870 -0.055 0.000 1.105 400 L CA 0.869 55.682 54.840 -0.046 0.000 0.775 400 L CB -0.282 41.764 42.059 -0.022 0.000 0.913 400 L HN 0.302 nan 8.230 nan 0.000 0.440 401 N N -1.347 117.299 118.700 -0.090 0.000 2.258 401 N HA 0.214 4.956 4.740 0.003 0.000 0.299 401 N C -0.108 175.320 175.510 -0.137 0.000 1.047 401 N CA -0.134 52.874 53.050 -0.071 0.000 0.814 401 N CB 2.162 40.670 38.487 0.034 0.000 1.413 401 N HN -0.229 nan 8.380 nan 0.000 0.478 402 S N 0.079 115.738 115.700 -0.067 0.000 2.559 402 S HA 0.259 4.731 4.470 0.003 0.000 0.226 402 S C 1.246 175.878 174.600 0.053 0.000 1.000 402 S CA 0.068 58.239 58.200 -0.048 0.000 0.948 402 S CB 0.485 63.609 63.200 -0.127 0.000 0.870 402 S HN 0.935 nan 8.310 nan 0.000 0.497 403 G N 2.421 111.251 108.800 0.050 0.000 2.629 403 G HA2 -0.341 3.621 3.960 0.003 0.000 0.313 403 G HA3 -0.341 3.621 3.960 0.003 0.000 0.313 403 G C 0.215 175.013 174.900 -0.170 0.000 1.217 403 G CA 0.708 45.806 45.100 -0.002 0.000 0.994 403 G HN 0.451 nan 8.290 nan 0.000 0.549 404 F N 1.395 121.426 119.950 0.135 0.000 2.664 404 F HA 0.466 4.994 4.527 0.002 0.000 0.301 404 F C 2.397 178.215 175.800 0.030 0.000 1.126 404 F CA 0.936 58.989 58.000 0.088 0.000 1.373 404 F CB 0.119 39.191 39.000 0.120 0.000 1.042 404 F HN 0.337 nan 8.300 nan 0.000 0.535 405 M N 0.002 119.576 119.600 -0.042 0.000 2.108 405 M HA -0.130 4.352 4.480 0.003 0.000 0.261 405 M C 2.413 178.566 176.300 -0.245 0.000 1.066 405 M CA 2.242 57.229 55.300 -0.522 0.000 1.107 405 M CB -0.478 31.548 32.600 -0.956 0.000 1.356 405 M HN 0.318 nan 8.290 nan 0.000 0.406 406 G N -0.777 107.940 108.800 -0.138 0.000 2.404 406 G HA2 -0.117 3.845 3.960 0.003 0.000 0.215 406 G HA3 -0.117 3.845 3.960 0.003 0.000 0.215 406 G C 1.483 176.381 174.900 -0.005 0.000 1.174 406 G CA 0.771 45.825 45.100 -0.076 0.000 0.780 406 G HN 0.617 nan 8.290 nan 0.000 0.537 407 A N -0.043 122.812 122.820 0.058 0.000 1.933 407 A HA -0.096 4.226 4.320 0.003 0.000 0.218 407 A C 2.273 179.919 177.584 0.104 0.000 1.175 407 A CA 2.029 54.133 52.037 0.111 0.000 0.628 407 A CB -0.417 18.727 19.000 0.240 0.000 0.814 407 A HN 0.388 nan 8.150 nan 0.000 0.444 408 Q N 0.088 119.962 119.800 0.124 0.000 2.084 408 Q HA -0.122 4.220 4.340 0.003 0.000 0.202 408 Q C 2.091 178.138 176.000 0.078 0.000 0.978 408 Q CA 2.037 57.914 55.803 0.123 0.000 0.844 408 Q CB -0.291 28.570 28.738 0.206 0.000 0.898 408 Q HN 0.430 nan 8.270 nan 0.000 0.426 409 V N 0.539 120.478 119.914 0.042 0.000 2.427 409 V HA -0.208 3.914 4.120 0.003 0.000 0.248 409 V C 2.366 178.476 176.094 0.027 0.000 1.051 409 V CA 2.029 64.344 62.300 0.025 0.000 1.048 409 V CB -0.830 30.989 31.823 -0.007 0.000 0.666 409 V HN 0.379 nan 8.190 nan 0.000 0.456 410 T N 0.409 114.980 114.554 0.027 0.000 2.746 410 T HA -0.173 4.179 4.350 0.003 0.000 0.267 410 T C 2.065 176.786 174.700 0.034 0.000 1.039 410 T CA 1.627 63.743 62.100 0.027 0.000 1.142 410 T CB -0.378 68.506 68.868 0.026 0.000 0.866 410 T HN 0.577 nan 8.240 nan 0.000 0.444 411 A N 1.156 124.002 122.820 0.044 0.000 1.902 411 A HA -0.131 4.191 4.320 0.003 0.000 0.217 411 A C 2.548 180.160 177.584 0.046 0.000 1.181 411 A CA 2.105 54.170 52.037 0.048 0.000 0.623 411 A CB -1.190 17.842 19.000 0.054 0.000 0.818 411 A HN 0.478 nan 8.150 nan 0.000 0.443 412 T N 0.255 114.835 114.554 0.044 0.000 2.746 412 T HA 0.002 4.354 4.350 0.003 0.000 0.267 412 T C 2.221 176.939 174.700 0.030 0.000 1.039 412 T CA 1.507 63.629 62.100 0.038 0.000 1.142 412 T CB -0.431 68.460 68.868 0.038 0.000 0.866 412 T HN 0.598 nan 8.240 nan 0.000 0.444 413 A N 1.290 124.127 122.820 0.027 0.000 1.902 413 A HA 0.015 4.337 4.320 0.003 0.000 0.217 413 A C 2.300 179.899 177.584 0.025 0.000 1.181 413 A CA 1.165 53.216 52.037 0.022 0.000 0.623 413 A CB -0.834 18.177 19.000 0.018 0.000 0.818 413 A HN 0.473 nan 8.150 nan 0.000 0.443 414 L N -1.160 120.082 121.223 0.031 0.000 2.046 414 L HA -0.171 4.171 4.340 0.003 0.000 0.208 414 L C 2.573 179.465 176.870 0.036 0.000 1.077 414 L CA 1.243 56.104 54.840 0.036 0.000 0.747 414 L CB -0.575 41.510 42.059 0.045 0.000 0.896 414 L HN 0.471 nan 8.230 nan 0.000 0.432 415 L N 0.288 121.532 121.223 0.036 0.000 2.046 415 L HA -0.128 4.214 4.340 0.003 0.000 0.208 415 L C 2.648 179.528 176.870 0.016 0.000 1.077 415 L CA 1.984 56.840 54.840 0.026 0.000 0.747 415 L CB -0.711 41.363 42.059 0.025 0.000 0.896 415 L HN 0.137 nan 8.230 nan 0.000 0.432 416 A N -0.847 121.984 122.820 0.017 0.000 1.940 416 A HA -0.286 4.036 4.320 0.003 0.000 0.219 416 A C 2.334 179.925 177.584 0.013 0.000 1.176 416 A CA 1.903 53.948 52.037 0.013 0.000 0.631 416 A CB -0.748 18.261 19.000 0.014 0.000 0.814 416 A HN 0.642 nan 8.150 nan 0.000 0.446 417 E N -0.655 119.554 120.200 0.016 0.000 2.072 417 E HA -0.175 4.177 4.350 0.003 0.000 0.191 417 E C 2.038 178.648 176.600 0.017 0.000 0.985 417 E CA 1.259 57.669 56.400 0.017 0.000 0.801 417 E CB -0.202 29.510 29.700 0.020 0.000 0.750 417 E HN 0.675 nan 8.360 nan 0.000 0.452 418 M N 0.029 119.640 119.600 0.018 0.000 2.108 418 M HA -0.174 4.308 4.480 0.003 0.000 0.261 418 M C 2.300 178.604 176.300 0.006 0.000 1.066 418 M CA 1.561 56.869 55.300 0.014 0.000 1.107 418 M CB -0.203 32.402 32.600 0.008 0.000 1.356 418 M HN 0.017 nan 8.290 nan 0.000 0.406 419 R N 0.118 120.620 120.500 0.003 0.000 2.193 419 R HA -0.032 4.310 4.340 0.003 0.000 0.229 419 R C 2.191 178.495 176.300 0.008 0.000 1.110 419 R CA 1.100 57.200 56.100 0.000 0.000 0.988 419 R CB -0.452 29.847 30.300 -0.002 0.000 0.871 419 R HN 0.378 nan 8.270 nan 0.000 0.458 420 A N 0.569 123.396 122.820 0.011 0.000 2.066 420 A HA -0.026 4.296 4.320 0.003 0.000 0.218 420 A C 0.797 178.392 177.584 0.018 0.000 1.157 420 A CA 0.887 52.932 52.037 0.013 0.000 0.670 420 A CB 0.113 19.119 19.000 0.012 0.000 0.804 420 A HN 0.101 nan 8.150 nan 0.000 0.453 421 T N 0.152 114.718 114.554 0.020 0.000 2.771 421 T HA 0.549 4.901 4.350 0.003 0.000 0.281 421 T C 0.468 175.189 174.700 0.036 0.000 0.982 421 T CA 0.049 62.166 62.100 0.028 0.000 0.978 421 T CB 1.519 70.403 68.868 0.026 0.000 0.930 421 T HN 0.367 nan 8.240 nan 0.000 0.447 422 G N 3.091 111.925 108.800 0.057 0.000 2.828 422 G HA2 0.665 4.627 3.960 0.003 0.000 0.244 422 G HA3 0.665 4.627 3.960 0.003 0.000 0.244 422 G C -2.629 172.318 174.900 0.078 0.000 1.365 422 G CA -1.563 43.574 45.100 0.062 0.000 1.041 422 G HN 0.437 nan 8.290 nan 0.000 0.560 423 P HA 0.276 nan 4.420 nan 0.000 0.266 423 P C 0.305 177.668 177.300 0.105 0.000 1.195 423 P CA 0.317 63.452 63.100 0.058 0.000 0.768 423 P CB 1.385 33.096 31.700 0.017 0.000 0.838 424 A N 2.001 124.885 122.820 0.108 0.000 1.984 424 A HA -0.040 4.282 4.320 0.003 0.000 0.214 424 A C 2.055 179.710 177.584 0.118 0.000 1.173 424 A CA 1.005 53.144 52.037 0.171 0.000 0.673 424 A CB -1.011 18.058 19.000 0.115 0.000 0.830 424 A HN 0.473 nan 8.150 nan 0.000 0.453 425 S N 0.598 116.323 115.700 0.042 0.000 2.419 425 S HA -0.179 4.293 4.470 0.003 0.000 0.235 425 S C 1.673 176.241 174.600 -0.053 0.000 1.019 425 S CA 1.562 59.767 58.200 0.007 0.000 0.982 425 S CB -0.683 62.520 63.200 0.006 0.000 0.789 425 S HN 0.792 nan 8.310 nan 0.000 0.490 426 I N -1.414 119.052 120.570 -0.173 0.000 3.444 426 I HA 0.067 4.239 4.170 0.003 0.000 0.287 426 I C 0.692 176.593 176.117 -0.360 0.000 1.302 426 I CA 0.915 62.047 61.300 -0.279 0.000 1.368 426 I CB -0.346 37.442 38.000 -0.354 0.000 1.048 426 I HN 0.161 nan 8.210 nan 0.000 0.487 427 H N 1.267 120.348 119.070 0.018 0.000 2.524 427 H HA 0.311 4.868 4.556 0.003 0.000 0.299 427 H C 0.638 175.978 175.328 0.019 0.000 1.074 427 H CA -0.223 55.836 56.048 0.018 0.000 1.115 427 H CB 0.111 29.884 29.762 0.017 0.000 1.522 427 H HN 0.296 nan 8.280 nan 0.000 0.543 428 S N 1.224 116.969 115.700 0.076 0.000 2.552 428 S HA 0.190 4.662 4.470 0.003 0.000 0.289 428 S C 0.280 174.918 174.600 0.063 0.000 1.304 428 S CA -0.204 58.034 58.200 0.064 0.000 1.063 428 S CB -0.009 63.214 63.200 0.038 0.000 0.848 428 S HN 0.295 nan 8.310 nan 0.000 0.499 429 I N 3.405 124.011 120.570 0.059 0.000 2.533 429 I HA 0.216 4.388 4.170 0.003 0.000 0.290 429 I C 0.070 176.213 176.117 0.043 0.000 1.056 429 I CA -0.639 60.691 61.300 0.050 0.000 1.057 429 I CB 2.120 40.150 38.000 0.050 0.000 1.240 429 I HN 0.581 nan 8.210 nan 0.000 0.423 430 S N 4.027 119.749 115.700 0.037 0.000 2.525 430 S HA 0.256 4.728 4.470 0.003 0.000 0.285 430 S C -0.200 174.421 174.600 0.034 0.000 1.283 430 S CA 0.450 58.671 58.200 0.035 0.000 1.072 430 S CB 0.286 63.504 63.200 0.030 0.000 0.867 430 S HN 0.774 nan 8.310 nan 0.000 0.492 431 T N 3.091 117.666 114.554 0.036 0.000 2.681 431 T HA 0.417 4.769 4.350 0.003 0.000 0.296 431 T C -0.395 174.326 174.700 0.035 0.000 1.157 431 T CA -0.113 62.008 62.100 0.034 0.000 1.025 431 T CB 0.818 69.707 68.868 0.035 0.000 1.441 431 T HN 0.919 nan 8.240 nan 0.000 0.504 432 N N 0.640 119.360 118.700 0.034 0.000 2.727 432 N HA -0.217 4.525 4.740 0.003 0.000 0.251 432 N C 0.281 175.811 175.510 0.033 0.000 1.040 432 N CA 0.783 53.854 53.050 0.036 0.000 0.712 432 N CB -1.177 37.336 38.487 0.042 0.000 0.912 432 N HN 1.565 nan 8.380 nan 0.000 0.545 433 A N -0.582 122.254 122.820 0.027 0.000 2.822 433 A HA 0.008 4.330 4.320 0.003 0.000 0.287 433 A C 1.324 178.924 177.584 0.027 0.000 1.479 433 A CA 2.059 54.110 52.037 0.024 0.000 0.779 433 A CB -2.286 16.728 19.000 0.022 0.000 1.022 433 A HN 2.257 nan 8.150 nan 0.000 0.532 434 A N -2.410 120.427 122.820 0.029 0.000 3.396 434 A HA -0.358 3.964 4.320 0.003 0.000 0.267 434 A C 1.369 178.974 177.584 0.034 0.000 1.139 434 A CA 2.046 54.100 52.037 0.029 0.000 1.115 434 A CB -2.528 16.486 19.000 0.025 0.000 1.133 434 A HN 2.213 nan 8.150 nan 0.000 0.920 435 N N -0.044 118.679 118.700 0.038 0.000 2.171 435 N HA -0.085 4.657 4.740 0.003 0.000 0.184 435 N C 0.991 176.532 175.510 0.051 0.000 1.021 435 N CA 1.818 54.895 53.050 0.045 0.000 0.854 435 N CB -0.144 38.373 38.487 0.051 0.000 0.994 435 N HN 0.742 nan 8.380 nan 0.000 0.426 436 Q N 0.580 120.410 119.800 0.050 0.000 3.091 436 Q HA 0.058 4.400 4.340 0.003 0.000 0.301 436 Q C -0.402 175.630 176.000 0.053 0.000 1.337 436 Q CA -0.278 55.560 55.803 0.059 0.000 1.083 436 Q CB 0.541 29.310 28.738 0.051 0.000 1.477 436 Q HN 0.517 nan 8.270 nan 0.000 0.537 437 D N -0.516 119.913 120.400 0.049 0.000 2.348 437 D HA -0.078 4.564 4.640 0.003 0.000 0.216 437 D C 0.682 177.006 176.300 0.040 0.000 0.970 437 D CA 0.423 54.447 54.000 0.040 0.000 0.889 437 D CB 0.115 40.935 40.800 0.033 0.000 0.912 437 D HN 0.200 nan 8.370 nan 0.000 0.524 438 V N -1.668 118.275 119.914 0.048 0.000 2.760 438 V HA 0.756 4.878 4.120 0.003 0.000 0.309 438 V C -0.393 175.738 176.094 0.062 0.000 1.077 438 V CA -1.202 61.125 62.300 0.046 0.000 0.910 438 V CB 1.870 33.715 31.823 0.036 0.000 1.008 438 V HN 0.103 nan 8.190 nan 0.000 0.424 439 V N 0.989 120.939 119.914 0.059 0.000 2.962 439 V HA 0.775 4.897 4.120 0.003 0.000 0.313 439 V C 1.066 177.197 176.094 0.062 0.000 1.099 439 V CA 0.265 62.607 62.300 0.071 0.000 0.971 439 V CB 1.440 33.302 31.823 0.066 0.000 1.028 439 V HN 1.299 nan 8.190 nan 0.000 0.430 440 S N 2.433 118.174 115.700 0.069 0.000 2.425 440 S HA 0.087 4.559 4.470 0.003 0.000 0.225 440 S C 1.162 175.794 174.600 0.053 0.000 1.024 440 S CA 1.132 59.365 58.200 0.055 0.000 0.951 440 S CB -0.859 62.376 63.200 0.060 0.000 0.796 440 S HN 1.383 nan 8.310 nan 0.000 0.498 441 L N 0.322 121.581 121.223 0.059 0.000 4.040 441 L HA -0.201 4.141 4.340 0.003 0.000 0.410 441 L C 1.515 178.417 176.870 0.055 0.000 1.187 441 L CA 0.032 54.908 54.840 0.060 0.000 0.956 441 L CB -2.291 39.812 42.059 0.073 0.000 2.022 441 L HN 0.538 nan 8.230 nan 0.000 0.897 442 G N -0.326 108.504 108.800 0.050 0.000 2.432 442 G HA2 -0.212 3.750 3.960 0.003 0.000 0.219 442 G HA3 -0.212 3.750 3.960 0.003 0.000 0.219 442 G C 1.283 176.209 174.900 0.044 0.000 1.135 442 G CA 1.408 46.535 45.100 0.044 0.000 0.767 442 G HN 0.477 nan 8.290 nan 0.000 0.550 443 T N 1.296 115.875 114.554 0.042 0.000 2.777 443 T HA -0.018 4.334 4.350 0.003 0.000 0.266 443 T C 2.378 177.102 174.700 0.040 0.000 1.040 443 T CA 0.940 63.062 62.100 0.037 0.000 1.141 443 T CB -0.121 68.765 68.868 0.030 0.000 0.868 443 T HN 0.274 nan 8.240 nan 0.000 0.444 444 I N 1.643 122.238 120.570 0.042 0.000 2.226 444 I HA -0.150 4.022 4.170 0.003 0.000 0.245 444 I C 3.028 179.176 176.117 0.052 0.000 1.100 444 I CA 1.062 62.389 61.300 0.044 0.000 1.374 444 I CB -0.560 37.469 38.000 0.048 0.000 1.057 444 I HN 0.208 nan 8.210 nan 0.000 0.413 445 A N 0.880 123.735 122.820 0.058 0.000 1.883 445 A HA -0.221 4.101 4.320 0.003 0.000 0.217 445 A C 2.545 180.168 177.584 0.064 0.000 1.186 445 A CA 2.115 54.189 52.037 0.062 0.000 0.624 445 A CB -0.931 18.106 19.000 0.060 0.000 0.822 445 A HN 0.441 nan 8.150 nan 0.000 0.444 446 A N -0.528 122.331 122.820 0.064 0.000 1.933 446 A HA -0.139 4.183 4.320 0.003 0.000 0.218 446 A C 2.247 179.871 177.584 0.067 0.000 1.175 446 A CA 1.508 53.590 52.037 0.075 0.000 0.628 446 A CB -0.428 18.615 19.000 0.071 0.000 0.814 446 A HN 0.557 nan 8.150 nan 0.000 0.444 447 R N -0.561 119.972 120.500 0.055 0.000 2.092 447 R HA 0.026 4.368 4.340 0.003 0.000 0.231 447 R C 1.975 178.305 176.300 0.050 0.000 1.119 447 R CA 1.291 57.421 56.100 0.049 0.000 0.970 447 R CB -0.432 29.890 30.300 0.038 0.000 0.864 447 R HN 0.501 nan 8.270 nan 0.000 0.440 448 L N -0.285 120.968 121.223 0.049 0.000 2.141 448 L HA -0.203 4.139 4.340 0.003 0.000 0.209 448 L C 2.733 179.633 176.870 0.050 0.000 1.094 448 L CA 0.703 55.571 54.840 0.047 0.000 0.763 448 L CB -0.495 41.593 42.059 0.048 0.000 0.908 448 L HN 0.371 nan 8.230 nan 0.000 0.437 449 C N 0.358 119.691 119.300 0.055 0.000 2.440 449 C HA -0.143 4.319 4.460 0.003 0.000 0.278 449 C C 3.096 178.125 174.990 0.066 0.000 1.295 449 C CA 0.810 59.860 59.018 0.053 0.000 1.738 449 C CB -0.532 27.240 27.740 0.053 0.000 1.987 449 C HN 0.496 nan 8.230 nan 0.000 0.492 450 R N 1.295 121.837 120.500 0.071 0.000 2.081 450 R HA -0.076 4.266 4.340 0.003 0.000 0.235 450 R C 2.094 178.443 176.300 0.080 0.000 1.131 450 R CA 1.972 58.121 56.100 0.081 0.000 0.960 450 R CB -0.825 29.520 30.300 0.076 0.000 0.856 450 R HN 0.531 nan 8.270 nan 0.000 0.436 451 E N 0.733 120.973 120.200 0.066 0.000 2.077 451 E HA -0.173 4.179 4.350 0.003 0.000 0.193 451 E C 1.839 178.483 176.600 0.073 0.000 0.989 451 E CA 1.357 57.794 56.400 0.062 0.000 0.800 451 E CB -0.105 29.624 29.700 0.048 0.000 0.746 451 E HN 0.433 nan 8.360 nan 0.000 0.452 452 K N 0.290 120.734 120.400 0.073 0.000 2.097 452 K HA -0.029 4.293 4.320 0.003 0.000 0.205 452 K C 2.311 179.000 176.600 0.148 0.000 1.050 452 K CA 0.776 57.111 56.287 0.079 0.000 0.938 452 K CB -0.126 32.399 32.500 0.041 0.000 0.718 452 K HN 0.085 nan 8.250 nan 0.000 0.442 453 I N 1.517 122.187 120.570 0.167 0.000 2.226 453 I HA -0.286 3.886 4.170 0.003 0.000 0.245 453 I C 1.597 177.835 176.117 0.202 0.000 1.100 453 I CA 1.190 62.645 61.300 0.257 0.000 1.374 453 I CB -0.228 37.891 38.000 0.199 0.000 1.057 453 I HN 0.147 nan 8.210 nan 0.000 0.413 454 D N 0.532 121.009 120.400 0.129 0.000 2.144 454 D HA -0.131 4.511 4.640 0.003 0.000 0.199 454 D C 2.326 178.680 176.300 0.090 0.000 0.984 454 D CA 0.918 54.970 54.000 0.086 0.000 0.834 454 D CB -0.213 40.627 40.800 0.066 0.000 0.955 454 D HN 0.198 nan 8.370 nan 0.000 0.465 455 R N -0.080 120.490 120.500 0.116 0.000 2.075 455 R HA -0.109 4.233 4.340 0.003 0.000 0.232 455 R C 2.133 178.542 176.300 0.181 0.000 1.126 455 R CA 0.438 56.606 56.100 0.113 0.000 0.963 455 R CB -1.034 29.323 30.300 0.096 0.000 0.858 455 R HN 0.340 nan 8.270 nan 0.000 0.435 456 W N 1.966 123.266 121.300 0.002 0.000 2.338 456 W HA -0.098 4.564 4.660 0.003 0.000 0.304 456 W C 2.107 178.618 176.519 -0.014 0.000 1.212 456 W CA 1.412 58.758 57.345 0.002 0.000 1.264 456 W CB -0.628 28.840 29.460 0.014 0.000 1.142 456 W HN 0.141 nan 8.180 nan 0.000 0.512 457 A N 0.150 122.970 122.820 0.001 0.000 1.933 457 A HA -0.233 4.089 4.320 0.003 0.000 0.218 457 A C 1.873 179.372 177.584 -0.141 0.000 1.175 457 A CA 2.001 53.927 52.037 -0.184 0.000 0.628 457 A CB -0.773 18.146 19.000 -0.135 0.000 0.814 457 A HN 0.461 nan 8.150 nan 0.000 0.444 458 E N -0.388 119.786 120.200 -0.044 0.000 2.072 458 E HA -0.092 4.260 4.350 0.003 0.000 0.191 458 E C 1.850 178.433 176.600 -0.028 0.000 0.985 458 E CA 1.093 57.469 56.400 -0.040 0.000 0.801 458 E CB -0.239 29.461 29.700 0.001 0.000 0.750 458 E HN 0.698 nan 8.360 nan 0.000 0.452 459 I N 0.856 121.446 120.570 0.033 0.000 2.252 459 I HA -0.268 3.904 4.170 0.003 0.000 0.245 459 I C 2.220 178.347 176.117 0.016 0.000 1.102 459 I CA 0.970 62.306 61.300 0.060 0.000 1.385 459 I CB -0.146 37.944 38.000 0.151 0.000 1.064 459 I HN 0.117 nan 8.210 nan 0.000 0.414 460 L N 0.424 121.628 121.223 -0.033 0.000 2.131 460 L HA -0.179 4.163 4.340 0.003 0.000 0.210 460 L C 2.814 179.573 176.870 -0.185 0.000 1.092 460 L CA 1.141 55.916 54.840 -0.108 0.000 0.759 460 L CB -0.640 41.265 42.059 -0.256 0.000 0.903 460 L HN 0.238 nan 8.230 nan 0.000 0.435 461 A N 0.318 123.002 122.820 -0.227 0.000 1.902 461 A HA -0.170 4.152 4.320 0.003 0.000 0.217 461 A C 2.202 179.662 177.584 -0.206 0.000 1.181 461 A CA 1.434 53.303 52.037 -0.280 0.000 0.623 461 A CB -0.578 18.267 19.000 -0.258 0.000 0.818 461 A HN 0.347 nan 8.150 nan 0.000 0.443 462 I N -0.859 119.638 120.570 -0.121 0.000 2.226 462 I HA -0.217 3.955 4.170 0.003 0.000 0.245 462 I C 2.415 178.457 176.117 -0.124 0.000 1.100 462 I CA 1.154 62.406 61.300 -0.081 0.000 1.374 462 I CB -0.271 37.720 38.000 -0.015 0.000 1.057 462 I HN 0.390 nan 8.210 nan 0.000 0.413 463 L N 1.256 122.425 121.223 -0.090 0.000 2.046 463 L HA -0.151 4.191 4.340 0.003 0.000 0.208 463 L C 2.530 179.339 176.870 -0.102 0.000 1.077 463 L CA 2.107 56.900 54.840 -0.078 0.000 0.747 463 L CB -0.797 41.258 42.059 -0.007 0.000 0.896 463 L HN 0.185 nan 8.230 nan 0.000 0.432 464 A N -0.531 122.224 122.820 -0.108 0.000 1.902 464 A HA -0.154 4.168 4.320 0.003 0.000 0.217 464 A C 2.255 179.764 177.584 -0.126 0.000 1.181 464 A CA 1.955 53.943 52.037 -0.083 0.000 0.623 464 A CB -0.872 18.039 19.000 -0.148 0.000 0.818 464 A HN 0.500 nan 8.150 nan 0.000 0.443 465 L N -0.950 120.156 121.223 -0.196 0.000 2.093 465 L HA -0.223 4.119 4.340 0.003 0.000 0.208 465 L C 2.700 179.351 176.870 -0.365 0.000 1.085 465 L CA 1.067 55.803 54.840 -0.174 0.000 0.755 465 L CB -0.686 41.331 42.059 -0.071 0.000 0.904 465 L HN 0.484 nan 8.230 nan 0.000 0.435 466 C N -0.175 118.770 119.300 -0.592 0.000 2.429 466 C HA -0.133 4.329 4.460 0.003 0.000 0.277 466 C C 2.754 177.533 174.990 -0.353 0.000 1.262 466 C CA 0.491 59.024 59.018 -0.809 0.000 1.733 466 C CB -0.700 26.706 27.740 -0.558 0.000 2.010 466 C HN 0.428 nan 8.230 nan 0.000 0.483 467 L N 0.850 121.962 121.223 -0.186 0.000 2.093 467 L HA -0.124 4.218 4.340 0.003 0.000 0.208 467 L C 2.851 179.702 176.870 -0.031 0.000 1.085 467 L CA 1.432 56.230 54.840 -0.071 0.000 0.755 467 L CB -0.669 41.383 42.059 -0.013 0.000 0.904 467 L HN 0.337 nan 8.230 nan 0.000 0.435 468 A N -0.339 122.467 122.820 -0.023 0.000 1.902 468 A HA -0.298 4.024 4.320 0.003 0.000 0.217 468 A C 2.206 179.814 177.584 0.041 0.000 1.181 468 A CA 2.011 54.067 52.037 0.031 0.000 0.623 468 A CB -0.511 18.524 19.000 0.059 0.000 0.818 468 A HN 0.431 nan 8.150 nan 0.000 0.443 469 Q N -0.419 119.402 119.800 0.035 0.000 2.046 469 Q HA 0.005 4.347 4.340 0.003 0.000 0.200 469 Q C 2.087 178.117 176.000 0.049 0.000 0.975 469 Q CA 2.012 57.872 55.803 0.094 0.000 0.836 469 Q CB -0.496 28.381 28.738 0.232 0.000 0.896 469 Q HN 0.544 nan 8.270 nan 0.000 0.428 470 A N 0.425 123.245 122.820 -0.000 0.000 1.933 470 A HA -0.101 4.221 4.320 0.003 0.000 0.218 470 A C 2.290 179.880 177.584 0.010 0.000 1.175 470 A CA 1.793 53.829 52.037 -0.001 0.000 0.628 470 A CB -1.180 17.805 19.000 -0.026 0.000 0.814 470 A HN 0.551 nan 8.150 nan 0.000 0.444 471 A N -0.172 122.657 122.820 0.015 0.000 1.933 471 A HA -0.165 4.157 4.320 0.003 0.000 0.218 471 A C 1.915 179.513 177.584 0.024 0.000 1.175 471 A CA 1.630 53.680 52.037 0.022 0.000 0.628 471 A CB -0.474 18.543 19.000 0.030 0.000 0.814 471 A HN 0.650 nan 8.150 nan 0.000 0.444 472 E N -0.278 119.941 120.200 0.031 0.000 2.107 472 E HA -0.057 4.295 4.350 0.003 0.000 0.191 472 E C 1.892 178.505 176.600 0.023 0.000 0.982 472 E CA 0.814 57.233 56.400 0.032 0.000 0.809 472 E CB -0.223 29.503 29.700 0.043 0.000 0.756 472 E HN 0.607 nan 8.360 nan 0.000 0.459 473 L N 0.443 121.679 121.223 0.021 0.000 2.093 473 L HA -0.135 4.207 4.340 0.003 0.000 0.208 473 L C 2.626 179.498 176.870 0.003 0.000 1.085 473 L CA 0.891 55.735 54.840 0.007 0.000 0.755 473 L CB -0.131 41.930 42.059 0.002 0.000 0.904 473 L HN 0.011 nan 8.230 nan 0.000 0.435 474 R N -0.282 120.222 120.500 0.006 0.000 2.080 474 R HA -0.038 4.304 4.340 0.003 0.000 0.222 474 R C 1.770 178.074 176.300 0.006 0.000 1.107 474 R CA 1.576 57.678 56.100 0.004 0.000 0.980 474 R CB -0.356 29.947 30.300 0.004 0.000 0.879 474 R HN 0.343 nan 8.270 nan 0.000 0.439 475 C N 0.254 119.561 119.300 0.010 0.000 3.104 475 C HA 0.650 5.112 4.460 0.003 0.000 0.284 475 C C 0.598 175.596 174.990 0.013 0.000 1.326 475 C CA -0.361 58.664 59.018 0.011 0.000 1.725 475 C CB -0.766 26.982 27.740 0.014 0.000 2.156 475 C HN 0.737 nan 8.230 nan 0.000 0.638 476 G N 1.751 110.559 108.800 0.013 0.000 2.758 476 G HA2 -0.151 3.811 3.960 0.003 0.000 0.686 476 G HA3 -0.151 3.811 3.960 0.003 0.000 0.686 476 G C 0.717 175.628 174.900 0.019 0.000 1.389 476 G CA 0.068 45.177 45.100 0.014 0.000 0.845 476 G HN 0.795 nan 8.290 nan 0.000 0.572 477 S N -0.533 115.179 115.700 0.020 0.000 2.419 477 S HA 0.012 4.484 4.470 0.003 0.000 0.235 477 S C 2.399 177.013 174.600 0.023 0.000 1.019 477 S CA 1.948 60.162 58.200 0.024 0.000 0.982 477 S CB -0.239 62.975 63.200 0.023 0.000 0.789 477 S HN 2.185 nan 8.310 nan 0.000 0.490 478 G N 0.868 109.679 108.800 0.019 0.000 2.920 478 G HA2 0.345 4.307 3.960 0.003 0.000 0.208 478 G HA3 0.345 4.307 3.960 0.003 0.000 0.208 478 G C 0.543 175.454 174.900 0.019 0.000 1.159 478 G CA -0.052 45.059 45.100 0.018 0.000 0.784 478 G HN 0.620 nan 8.290 nan 0.000 0.535 479 L N 0.919 122.154 121.223 0.020 0.000 3.660 479 L HA -0.146 4.196 4.340 0.003 0.000 0.440 479 L C -0.899 175.981 176.870 0.017 0.000 1.262 479 L CA -0.118 54.734 54.840 0.021 0.000 0.837 479 L CB -1.765 40.309 42.059 0.025 0.000 1.689 479 L HN 0.197 nan 8.230 nan 0.000 0.890 480 D N 1.317 121.726 120.400 0.014 0.000 2.458 480 D HA 0.304 4.946 4.640 0.003 0.000 0.243 480 D C 1.379 177.685 176.300 0.010 0.000 1.146 480 D CA 1.340 55.347 54.000 0.011 0.000 0.877 480 D CB 1.327 42.133 40.800 0.010 0.000 1.176 480 D HN 0.520 nan 8.370 nan 0.000 0.461 481 G N 1.316 110.122 108.800 0.009 0.000 2.225 481 G HA2 -0.283 3.679 3.960 0.003 0.000 0.254 481 G HA3 -0.283 3.679 3.960 0.003 0.000 0.254 481 G C 0.451 175.357 174.900 0.009 0.000 0.988 481 G CA 0.162 45.266 45.100 0.007 0.000 0.625 481 G HN 0.519 nan 8.290 nan 0.000 0.527 482 V N 2.634 122.556 119.914 0.014 0.000 2.715 482 V HA 0.491 4.613 4.120 0.003 0.000 0.299 482 V C 1.487 177.592 176.094 0.018 0.000 1.054 482 V CA 0.140 62.452 62.300 0.019 0.000 1.077 482 V CB 1.354 33.191 31.823 0.023 0.000 0.972 482 V HN 1.078 nan 8.190 nan 0.000 0.484 483 S N 5.031 120.744 115.700 0.022 0.000 2.569 483 S HA 0.115 4.587 4.470 0.003 0.000 0.274 483 S C -1.707 172.903 174.600 0.017 0.000 1.353 483 S CA -0.584 57.628 58.200 0.020 0.000 1.023 483 S CB 0.430 63.647 63.200 0.028 0.000 0.876 483 S HN 0.586 nan 8.310 nan 0.000 0.540 484 P HA -0.022 nan 4.420 nan 0.000 0.217 484 P C 1.586 178.890 177.300 0.006 0.000 1.150 484 P CA 1.834 64.939 63.100 0.009 0.000 0.832 484 P CB -0.228 31.475 31.700 0.005 0.000 0.787 485 A N -0.238 122.583 122.820 0.002 0.000 1.898 485 A HA -0.046 4.276 4.320 0.003 0.000 0.216 485 A C 2.470 180.052 177.584 -0.003 0.000 1.181 485 A CA 1.986 54.017 52.037 -0.010 0.000 0.620 485 A CB -1.843 17.147 19.000 -0.018 0.000 0.819 485 A HN 0.268 nan 8.150 nan 0.000 0.442 486 G N -0.328 108.480 108.800 0.013 0.000 2.402 486 G HA2 -0.210 3.752 3.960 0.003 0.000 0.216 486 G HA3 -0.210 3.752 3.960 0.003 0.000 0.216 486 G C 1.682 176.600 174.900 0.031 0.000 1.162 486 G CA 1.075 46.191 45.100 0.026 0.000 0.777 486 G HN 0.558 nan 8.290 nan 0.000 0.539 487 K N 0.202 120.618 120.400 0.026 0.000 2.026 487 K HA -0.066 4.256 4.320 0.003 0.000 0.208 487 K C 2.445 179.064 176.600 0.032 0.000 1.048 487 K CA 1.344 57.648 56.287 0.029 0.000 0.929 487 K CB -0.145 32.369 32.500 0.022 0.000 0.713 487 K HN 0.245 nan 8.250 nan 0.000 0.439 488 K N 1.345 121.759 120.400 0.023 0.000 2.097 488 K HA -0.137 4.185 4.320 0.003 0.000 0.206 488 K C 2.148 178.772 176.600 0.039 0.000 1.049 488 K CA 0.973 57.275 56.287 0.024 0.000 0.933 488 K CB -0.069 32.435 32.500 0.007 0.000 0.717 488 K HN 0.112 nan 8.250 nan 0.000 0.442 489 L N 0.564 121.809 121.223 0.036 0.000 2.027 489 L HA -0.161 4.181 4.340 0.003 0.000 0.206 489 L C 2.065 179.006 176.870 0.118 0.000 1.074 489 L CA 1.075 55.957 54.840 0.070 0.000 0.745 489 L CB -0.153 41.932 42.059 0.044 0.000 0.898 489 L HN 0.008 nan 8.230 nan 0.000 0.433 490 V N 0.068 120.037 119.914 0.092 0.000 2.343 490 V HA -0.311 3.811 4.120 0.003 0.000 0.247 490 V C 2.486 178.636 176.094 0.093 0.000 1.051 490 V CA 2.065 64.422 62.300 0.095 0.000 1.036 490 V CB -0.689 31.177 31.823 0.071 0.000 0.654 490 V HN 0.560 nan 8.190 nan 0.000 0.451 491 Q N -0.050 119.794 119.800 0.073 0.000 2.124 491 Q HA -0.162 4.180 4.340 0.003 0.000 0.202 491 Q C 2.419 178.462 176.000 0.071 0.000 0.977 491 Q CA 1.711 57.551 55.803 0.062 0.000 0.850 491 Q CB -0.428 28.336 28.738 0.044 0.000 0.901 491 Q HN 0.676 nan 8.270 nan 0.000 0.429 492 A N 1.007 123.879 122.820 0.087 0.000 1.902 492 A HA -0.142 4.180 4.320 0.003 0.000 0.217 492 A C 2.085 179.743 177.584 0.124 0.000 1.181 492 A CA 1.018 53.113 52.037 0.096 0.000 0.623 492 A CB -0.625 18.450 19.000 0.124 0.000 0.818 492 A HN 0.272 nan 8.150 nan 0.000 0.443 493 L N -1.042 120.287 121.223 0.176 0.000 2.046 493 L HA -0.146 4.196 4.340 0.003 0.000 0.208 493 L C 2.646 179.661 176.870 0.242 0.000 1.077 493 L CA 0.950 55.944 54.840 0.255 0.000 0.747 493 L CB -0.412 41.779 42.059 0.221 0.000 0.896 493 L HN 0.261 nan 8.230 nan 0.000 0.432 494 R N 0.439 121.030 120.500 0.151 0.000 2.293 494 R HA -0.122 4.220 4.340 0.003 0.000 0.219 494 R C 1.822 178.149 176.300 0.045 0.000 1.091 494 R CA 0.732 56.897 56.100 0.109 0.000 1.004 494 R CB -0.389 29.961 30.300 0.084 0.000 0.865 494 R HN 0.573 nan 8.270 nan 0.000 0.469 495 E N 0.033 120.246 120.200 0.022 0.000 2.208 495 E HA -0.136 4.216 4.350 0.003 0.000 0.193 495 E C 1.377 177.910 176.600 -0.112 0.000 0.988 495 E CA 0.704 57.085 56.400 -0.032 0.000 0.828 495 E CB 0.222 29.905 29.700 -0.029 0.000 0.763 495 E HN 0.230 nan 8.360 nan 0.000 0.478 496 Q N -0.985 118.696 119.800 -0.198 0.000 2.322 496 Q HA 0.154 4.496 4.340 0.003 0.000 0.250 496 Q C -0.332 175.239 176.000 -0.715 0.000 0.853 496 Q CA 0.290 55.795 55.803 -0.497 0.000 0.951 496 Q CB 0.860 29.155 28.738 -0.737 0.000 1.114 496 Q HN 0.124 nan 8.270 nan 0.000 0.523 497 F N 2.081 122.027 119.950 -0.007 0.000 2.430 497 F HA 0.428 4.957 4.527 0.004 0.000 0.362 497 F C -2.130 173.686 175.800 0.027 0.000 1.103 497 F CA -2.628 55.378 58.000 0.011 0.000 1.045 497 F CB 1.357 40.368 39.000 0.018 0.000 1.276 497 F HN -0.206 nan 8.300 nan 0.000 0.444 498 P HA 0.112 nan 4.420 nan 0.000 0.269 498 P C -2.321 175.055 177.300 0.126 0.000 1.215 498 P CA -0.861 62.298 63.100 0.098 0.000 0.780 498 P CB 0.022 31.754 31.700 0.054 0.000 0.898 499 P HA 0.049 nan 4.420 nan 0.000 0.270 499 P C -0.738 176.615 177.300 0.088 0.000 1.223 499 P CA -0.091 63.075 63.100 0.111 0.000 0.785 499 P CB 0.498 32.247 31.700 0.083 0.000 0.923 500 L N 2.046 123.326 121.223 0.095 0.000 2.315 500 L HA 0.162 4.504 4.340 0.003 0.000 0.278 500 L C 1.213 178.093 176.870 0.017 0.000 1.088 500 L CA 0.425 55.270 54.840 0.009 0.000 0.899 500 L CB -0.544 41.441 42.059 -0.122 0.000 1.277 500 L HN 0.300 nan 8.230 nan 0.000 0.431 501 E N 1.195 121.405 120.200 0.017 0.000 2.318 501 E HA 0.059 4.411 4.350 0.003 0.000 0.193 501 E C 0.184 176.795 176.600 0.019 0.000 0.998 501 E CA 0.333 56.746 56.400 0.022 0.000 0.859 501 E CB 0.427 30.140 29.700 0.021 0.000 0.812 501 E HN 0.556 nan 8.360 nan 0.000 0.492 502 T N 0.430 114.984 114.554 0.001 0.000 2.942 502 T HA 0.102 4.454 4.350 0.003 0.000 0.327 502 T C -1.783 172.896 174.700 -0.035 0.000 1.360 502 T CA -0.976 61.123 62.100 -0.001 0.000 1.055 502 T CB 1.363 70.232 68.868 0.002 0.000 1.261 502 T HN -0.220 nan 8.240 nan 0.000 0.485 503 D N 2.931 123.306 120.400 -0.042 0.000 2.506 503 D HA 0.322 4.964 4.640 0.003 0.000 0.234 503 D C 0.643 176.901 176.300 -0.069 0.000 1.143 503 D CA 0.757 54.710 54.000 -0.079 0.000 0.871 503 D CB 0.357 41.116 40.800 -0.069 0.000 1.190 503 D HN 0.718 nan 8.370 nan 0.000 0.459 504 R N 0.279 120.726 120.500 -0.089 0.000 2.692 504 R HA 0.605 4.947 4.340 0.003 0.000 0.269 504 R C -3.152 173.111 176.300 -0.062 0.000 1.030 504 R CA -1.671 54.394 56.100 -0.059 0.000 0.882 504 R CB 0.284 30.559 30.300 -0.042 0.000 1.250 504 R HN 0.010 nan 8.270 nan 0.000 0.465 505 P HA 0.143 nan 4.420 nan 0.000 0.267 505 P C -0.282 177.010 177.300 -0.014 0.000 1.209 505 P CA -0.238 62.846 63.100 -0.026 0.000 0.763 505 P CB 0.593 32.285 31.700 -0.013 0.000 0.816 506 L N 1.719 122.935 121.223 -0.013 0.000 2.664 506 L HA 0.169 4.511 4.340 0.003 0.000 0.233 506 L C 2.310 179.196 176.870 0.027 0.000 1.113 506 L CA 0.387 55.236 54.840 0.014 0.000 0.896 506 L CB -0.330 41.737 42.059 0.013 0.000 1.163 506 L HN 0.528 nan 8.230 nan 0.000 0.497 507 G N 0.300 109.110 108.800 0.017 0.000 2.529 507 G HA2 -0.306 3.656 3.960 0.003 0.000 0.219 507 G HA3 -0.306 3.656 3.960 0.003 0.000 0.219 507 G C 1.402 176.318 174.900 0.027 0.000 1.177 507 G CA 0.744 45.854 45.100 0.018 0.000 0.773 507 G HN 0.390 nan 8.290 nan 0.000 0.573 508 Q N -0.112 119.709 119.800 0.035 0.000 2.167 508 Q HA -0.063 4.279 4.340 0.003 0.000 0.202 508 Q C 2.489 178.541 176.000 0.087 0.000 0.970 508 Q CA 1.215 57.047 55.803 0.049 0.000 0.855 508 Q CB -0.095 28.669 28.738 0.042 0.000 0.911 508 Q HN 0.626 nan 8.270 nan 0.000 0.438 509 E N 0.643 120.912 120.200 0.114 0.000 2.072 509 E HA -0.137 4.215 4.350 0.003 0.000 0.191 509 E C 1.972 178.596 176.600 0.039 0.000 0.985 509 E CA 0.718 57.246 56.400 0.213 0.000 0.801 509 E CB -0.007 29.837 29.700 0.239 0.000 0.750 509 E HN 0.330 nan 8.360 nan 0.000 0.452 510 I N 1.142 121.702 120.570 -0.016 0.000 2.163 510 I HA -0.294 3.878 4.170 0.003 0.000 0.243 510 I C 2.552 178.636 176.117 -0.054 0.000 1.085 510 I CA 1.054 62.310 61.300 -0.073 0.000 1.347 510 I CB -0.324 37.658 38.000 -0.029 0.000 1.044 510 I HN 0.096 nan 8.210 nan 0.000 0.408 511 A N 0.694 123.512 122.820 -0.003 0.000 1.902 511 A HA -0.166 4.156 4.320 0.003 0.000 0.217 511 A C 2.540 180.139 177.584 0.025 0.000 1.181 511 A CA 1.906 53.947 52.037 0.007 0.000 0.623 511 A CB -0.857 18.156 19.000 0.021 0.000 0.818 511 A HN 0.440 nan 8.150 nan 0.000 0.443 512 A N -0.666 122.199 122.820 0.075 0.000 1.902 512 A HA -0.016 4.306 4.320 0.003 0.000 0.217 512 A C 2.126 179.799 177.584 0.148 0.000 1.181 512 A CA 1.734 53.850 52.037 0.132 0.000 0.623 512 A CB -0.587 18.543 19.000 0.216 0.000 0.818 512 A HN 0.652 nan 8.150 nan 0.000 0.443 513 L N -0.260 121.006 121.223 0.071 0.000 2.093 513 L HA 0.005 4.347 4.340 0.003 0.000 0.208 513 L C 2.656 179.450 176.870 -0.126 0.000 1.085 513 L CA 2.013 56.803 54.840 -0.083 0.000 0.755 513 L CB -0.861 40.888 42.059 -0.517 0.000 0.904 513 L HN 0.343 nan 8.230 nan 0.000 0.435 514 A N -1.514 121.227 122.820 -0.133 0.000 1.908 514 A HA -0.231 4.091 4.320 0.003 0.000 0.218 514 A C 2.260 179.787 177.584 -0.096 0.000 1.181 514 A CA 2.353 54.301 52.037 -0.147 0.000 0.627 514 A CB -1.233 17.710 19.000 -0.095 0.000 0.818 514 A HN 0.503 nan 8.150 nan 0.000 0.445 515 T N -1.437 113.104 114.554 -0.021 0.000 2.788 515 T HA -0.167 4.185 4.350 0.003 0.000 0.268 515 T C 1.850 176.562 174.700 0.020 0.000 1.044 515 T CA 1.914 64.021 62.100 0.011 0.000 1.139 515 T CB -0.378 68.515 68.868 0.042 0.000 0.867 515 T HN 0.808 nan 8.240 nan 0.000 0.454 516 H N 1.135 120.165 119.070 -0.067 0.000 2.333 516 H HA 0.138 4.696 4.556 0.003 0.000 0.302 516 H C 1.994 177.251 175.328 -0.118 0.000 1.075 516 H CA 1.143 57.156 56.048 -0.058 0.000 1.348 516 H CB -0.499 29.253 29.762 -0.016 0.000 1.393 516 H HN 0.236 nan 8.280 nan 0.000 0.509 517 L N 0.010 121.029 121.223 -0.340 0.000 2.127 517 L HA -0.173 4.169 4.340 0.003 0.000 0.211 517 L C 2.264 178.974 176.870 -0.267 0.000 1.089 517 L CA 1.004 55.510 54.840 -0.557 0.000 0.757 517 L CB -0.518 41.026 42.059 -0.857 0.000 0.899 517 L HN 0.327 nan 8.230 nan 0.000 0.434 518 L N -0.712 120.396 121.223 -0.192 0.000 2.376 518 L HA -0.152 4.190 4.340 0.003 0.000 0.219 518 L C 2.173 179.000 176.870 -0.072 0.000 1.133 518 L CA 0.964 55.757 54.840 -0.079 0.000 0.816 518 L CB -0.199 41.847 42.059 -0.021 0.000 0.933 518 L HN 0.392 nan 8.230 nan 0.000 0.449 519 Q N -1.605 118.063 119.800 -0.219 0.000 2.280 519 Q HA 0.211 4.553 4.340 0.003 0.000 0.228 519 Q C 0.008 175.569 176.000 -0.732 0.000 0.857 519 Q CA 0.034 55.666 55.803 -0.285 0.000 0.939 519 Q CB 1.057 29.752 28.738 -0.071 0.000 1.114 519 Q HN 0.424 nan 8.270 nan 0.000 0.514 520 Q N -0.021 119.319 119.800 -0.766 0.000 2.379 520 Q HA 0.483 4.825 4.340 0.003 0.000 0.278 520 Q C -1.282 174.614 176.000 -0.172 0.000 1.068 520 Q CA -0.404 55.041 55.803 -0.598 0.000 0.816 520 Q CB 2.734 31.237 28.738 -0.392 0.000 1.387 520 Q HN -0.056 nan 8.270 nan 0.000 0.413 521 S N 1.308 116.989 115.700 -0.033 0.000 2.681 521 S HA 0.569 5.041 4.470 0.003 0.000 0.299 521 S C -2.474 171.917 174.600 -0.348 0.000 1.113 521 S CA -1.256 56.855 58.200 -0.149 0.000 1.013 521 S CB 0.991 64.155 63.200 -0.060 0.000 1.076 521 S HN 0.361 nan 8.310 nan 0.000 0.534 522 P HA 0.357 nan 4.420 nan 0.000 0.268 522 P C -1.153 175.959 177.300 -0.314 0.000 1.541 522 P CA 0.034 62.750 63.100 -0.641 0.000 1.093 522 P CB 0.109 31.205 31.700 -1.007 0.000 1.551 523 V N 0.000 119.817 119.914 -0.162 0.000 2.409 523 V HA 0.000 4.122 4.120 0.003 0.000 0.244 523 V CA 0.000 62.240 62.300 -0.099 0.000 1.235 523 V CB 0.000 31.781 31.823 -0.070 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556