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 2o78_1_H DATA FIRST_RESID 8 DATA SEQUENCE KPAVELDRHI DLDQAHAVAS GGARIVLAPP ARDRCRASEA RLGAVIREAR DATA SEQUENCE HVYGLTTGFG PLANRLISGE NVRTLQANLV HFLASGVGPV LDWTTARAMV DATA SEQUENCE LARLVSIAQG ASGASEGTIA RLIDLLNSEL APAVPSRGTV GXXXDLTPLA DATA SEQUENCE HMVLCLQGRG DFLDRDGTRL DGAEGLRRGR LQPLDLSHRD ALALVNGTSA DATA SEQUENCE MTGIALVNAH ACRHLGNWAV ALTALLAECL RGRTEAWAAA LSDLRPHPGQ DATA SEQUENCE KDAAARLRAR VDGSARVVRH VIAERRLDAG DIGTEPEAGQ DAYSLRCAPQ DATA SEQUENCE VLGAGFDTLA WHDRVLTIEL NAVTDNPVFP PDGSVPALHG GNFMGQHVAL DATA SEQUENCE TSDALATAVT VLAGLAERQI ARLTDERLNR GLPPFLHRGP AGLNSGFMGA DATA SEQUENCE QVTATALLAE MRATGPASIH SISTNAANQD VVSLGTIAAR LCREKIDRWA DATA SEQUENCE EILAILALCL AQAAELRCGS GLDGVSPAGK KLVQALREQF PPLETDRPLG DATA SEQUENCE QEIAALATHL LQQSPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.610 176.600 0.017 0.000 0.988 8 K CA 0.000 56.298 56.287 0.019 0.000 0.838 8 K CB 0.000 32.513 32.500 0.021 0.000 1.064 9 P HA 0.054 nan 4.420 nan 0.000 0.266 9 P C -1.491 175.817 177.300 0.014 0.000 1.186 9 P CA -0.097 63.014 63.100 0.018 0.000 0.767 9 P CB 0.645 32.359 31.700 0.024 0.000 0.820 10 A N 2.344 125.171 122.820 0.011 0.000 2.335 10 A HA 0.493 4.813 4.320 0.000 0.000 0.304 10 A C -0.738 176.849 177.584 0.005 0.000 1.118 10 A CA -0.600 51.441 52.037 0.006 0.000 0.757 10 A CB 1.018 20.021 19.000 0.005 0.000 1.188 10 A HN 0.342 nan 8.150 nan 0.000 0.460 11 V N 2.862 122.777 119.914 0.000 0.000 2.385 11 V HA 0.227 4.347 4.120 0.000 0.000 0.269 11 V C 0.448 176.539 176.094 -0.005 0.000 1.043 11 V CA -0.236 62.063 62.300 -0.002 0.000 0.906 11 V CB 1.104 32.922 31.823 -0.009 0.000 0.995 11 V HN 0.942 nan 8.190 nan 0.000 0.467 12 E N 4.799 124.998 120.200 -0.001 0.000 2.089 12 E HA 0.339 4.689 4.350 0.000 0.000 0.284 12 E C -0.880 175.719 176.600 -0.002 0.000 1.023 12 E CA -0.792 55.608 56.400 -0.001 0.000 0.819 12 E CB 1.155 30.857 29.700 0.003 0.000 1.076 12 E HN 0.564 nan 8.360 nan 0.000 0.396 13 L N 5.232 126.450 121.223 -0.008 0.000 2.290 13 L HA 0.282 4.622 4.340 0.000 0.000 0.284 13 L C -0.169 176.699 176.870 -0.004 0.000 1.078 13 L CA 0.538 55.371 54.840 -0.011 0.000 0.815 13 L CB 1.296 43.341 42.059 -0.022 0.000 1.162 13 L HN 0.721 nan 8.230 nan 0.000 0.435 14 D N 2.701 123.104 120.400 0.005 0.000 3.074 14 D HA 0.197 4.837 4.640 0.000 0.000 0.227 14 D C 1.341 177.650 176.300 0.015 0.000 1.553 14 D CA 0.715 54.721 54.000 0.011 0.000 1.347 14 D CB 0.709 41.520 40.800 0.018 0.000 1.021 14 D HN 0.580 nan 8.370 nan 0.000 0.260 15 R N -1.759 118.762 120.500 0.035 0.000 2.243 15 R HA 0.207 4.547 4.340 0.000 0.000 0.193 15 R C 0.093 176.440 176.300 0.078 0.000 0.933 15 R CA -0.145 55.982 56.100 0.046 0.000 1.105 15 R CB 0.674 31.005 30.300 0.051 0.000 1.169 15 R HN 0.210 nan 8.270 nan 0.000 0.599 16 H N -0.034 119.029 119.070 -0.012 0.000 2.524 16 H HA 0.563 5.119 4.556 0.000 0.000 0.353 16 H C -1.458 173.864 175.328 -0.010 0.000 1.136 16 H CA -0.657 55.384 56.048 -0.013 0.000 1.193 16 H CB 1.554 31.309 29.762 -0.012 0.000 1.558 16 H HN -0.003 nan 8.280 nan 0.000 0.515 17 I N 4.279 124.480 120.570 -0.615 0.000 2.607 17 I HA 0.237 4.407 4.170 0.000 0.000 0.290 17 I C -1.228 174.596 176.117 -0.488 0.000 1.129 17 I CA -0.820 60.267 61.300 -0.356 0.000 1.042 17 I CB 1.419 39.306 38.000 -0.190 0.000 1.242 17 I HN 0.850 nan 8.210 nan 0.000 0.421 18 D N 6.234 126.515 120.400 -0.198 0.000 2.383 18 D HA 0.203 4.843 4.640 0.000 0.000 0.248 18 D C 1.068 177.339 176.300 -0.048 0.000 1.170 18 D CA -0.553 53.402 54.000 -0.076 0.000 0.977 18 D CB 0.953 41.789 40.800 0.060 0.000 1.120 18 D HN 0.498 nan 8.370 nan 0.000 0.481 19 L N -0.364 120.856 121.223 -0.004 0.000 2.042 19 L HA -0.162 4.179 4.340 0.000 0.000 0.210 19 L C 1.557 178.465 176.870 0.063 0.000 1.076 19 L CA 1.471 56.327 54.840 0.026 0.000 0.749 19 L CB -0.531 41.556 42.059 0.045 0.000 0.893 19 L HN 0.448 nan 8.230 nan 0.000 0.432 20 D N -0.149 120.289 120.400 0.064 0.000 2.117 20 D HA -0.183 4.457 4.640 0.000 0.000 0.197 20 D C 2.338 178.683 176.300 0.075 0.000 0.987 20 D CA 1.127 55.181 54.000 0.090 0.000 0.829 20 D CB -0.153 40.690 40.800 0.072 0.000 0.961 20 D HN 0.412 nan 8.370 nan 0.000 0.460 21 Q N 0.340 120.162 119.800 0.038 0.000 2.084 21 Q HA -0.074 4.266 4.340 0.000 0.000 0.202 21 Q C 2.242 178.243 176.000 0.002 0.000 0.978 21 Q CA 1.380 57.193 55.803 0.017 0.000 0.844 21 Q CB -0.124 28.611 28.738 -0.004 0.000 0.898 21 Q HN 0.215 nan 8.270 nan 0.000 0.426 22 A N 0.888 123.704 122.820 -0.006 0.000 1.902 22 A HA -0.248 4.072 4.320 0.000 0.000 0.217 22 A C 1.963 179.532 177.584 -0.025 0.000 1.181 22 A CA 1.671 53.692 52.037 -0.026 0.000 0.623 22 A CB -0.847 18.136 19.000 -0.029 0.000 0.818 22 A HN 0.451 nan 8.150 nan 0.000 0.443 23 H N -0.067 118.959 119.070 -0.074 0.000 2.423 23 H HA 0.032 4.588 4.556 0.000 0.000 0.297 23 H C 2.256 177.510 175.328 -0.124 0.000 1.075 23 H CA 1.423 57.391 56.048 -0.132 0.000 1.342 23 H CB -0.156 29.454 29.762 -0.254 0.000 1.395 23 H HN 0.411 nan 8.280 nan 0.000 0.530 24 A N 0.471 123.299 122.820 0.015 0.000 1.902 24 A HA -0.113 4.207 4.320 0.000 0.000 0.217 24 A C 2.831 180.385 177.584 -0.050 0.000 1.181 24 A CA 1.700 53.743 52.037 0.011 0.000 0.623 24 A CB -0.867 18.158 19.000 0.042 0.000 0.818 24 A HN 0.289 nan 8.150 nan 0.000 0.443 25 V N -0.316 119.558 119.914 -0.068 0.000 2.323 25 V HA -0.178 3.942 4.120 0.000 0.000 0.244 25 V C 3.057 179.063 176.094 -0.146 0.000 1.041 25 V CA 1.783 64.035 62.300 -0.081 0.000 1.025 25 V CB -1.225 30.554 31.823 -0.074 0.000 0.656 25 V HN 0.607 nan 8.190 nan 0.000 0.451 26 A N 0.856 123.550 122.820 -0.211 0.000 1.908 26 A HA -0.200 4.120 4.320 0.000 0.000 0.218 26 A C 2.363 179.744 177.584 -0.338 0.000 1.181 26 A CA 2.254 54.112 52.037 -0.298 0.000 0.627 26 A CB -0.689 18.133 19.000 -0.298 0.000 0.818 26 A HN 0.694 nan 8.150 nan 0.000 0.445 27 S N -1.830 113.689 115.700 -0.302 0.000 2.603 27 S HA 0.378 4.848 4.470 0.000 0.000 0.220 27 S C 1.357 176.095 174.600 0.231 0.000 0.967 27 S CA 0.984 59.159 58.200 -0.041 0.000 0.920 27 S CB -0.397 62.674 63.200 -0.215 0.000 0.773 27 S HN 1.944 nan 8.310 nan 0.000 0.529 28 G N 0.429 109.296 108.800 0.111 0.000 2.148 28 G HA2 -0.231 3.730 3.960 0.000 0.000 0.254 28 G HA3 -0.231 3.730 3.960 0.000 0.000 0.254 28 G C 0.847 175.817 174.900 0.116 0.000 0.981 28 G CA 0.136 45.354 45.100 0.197 0.000 0.670 28 G HN 0.958 nan 8.290 nan 0.000 0.528 29 G N -0.516 108.326 108.800 0.071 0.000 2.511 29 G HA2 0.560 4.520 3.960 0.000 0.000 0.217 29 G HA3 0.560 4.520 3.960 0.000 0.000 0.217 29 G C 0.649 175.575 174.900 0.044 0.000 1.133 29 G CA 1.753 46.890 45.100 0.061 0.000 0.792 29 G HN 1.832 nan 8.290 nan 0.000 0.539 30 A N -0.489 122.348 122.820 0.028 0.000 2.539 30 A HA 0.784 5.104 4.320 0.000 0.000 0.296 30 A C -0.282 177.306 177.584 0.007 0.000 1.073 30 A CA -0.849 51.199 52.037 0.018 0.000 0.700 30 A CB 1.495 20.503 19.000 0.014 0.000 1.296 30 A HN 0.199 nan 8.150 nan 0.000 0.405 31 R N -0.214 120.290 120.500 0.007 0.000 2.543 31 R HA 0.615 4.955 4.340 0.000 0.000 0.268 31 R C -0.946 175.349 176.300 -0.009 0.000 1.067 31 R CA -0.487 55.612 56.100 -0.000 0.000 1.142 31 R CB 1.076 31.378 30.300 0.004 0.000 1.110 31 R HN 0.606 nan 8.270 nan 0.000 0.549 32 I N 0.661 121.222 120.570 -0.015 0.000 2.509 32 I HA 0.317 4.487 4.170 0.000 0.000 0.293 32 I C -1.317 174.791 176.117 -0.016 0.000 1.020 32 I CA -0.603 60.685 61.300 -0.020 0.000 1.088 32 I CB 1.981 39.962 38.000 -0.032 0.000 1.267 32 I HN 0.193 nan 8.210 nan 0.000 0.430 33 V N 7.564 127.470 119.914 -0.013 0.000 2.709 33 V HA 0.414 4.534 4.120 0.000 0.000 0.308 33 V C -0.741 175.346 176.094 -0.011 0.000 1.062 33 V CA -0.792 61.502 62.300 -0.011 0.000 0.901 33 V CB 1.779 33.599 31.823 -0.006 0.000 1.003 33 V HN 0.578 nan 8.190 nan 0.000 0.425 34 L N 4.336 125.552 121.223 -0.012 0.000 2.281 34 L HA 0.712 5.052 4.340 0.000 0.000 0.285 34 L C 0.749 177.614 176.870 -0.007 0.000 1.074 34 L CA 0.370 55.203 54.840 -0.011 0.000 0.817 34 L CB 0.841 42.891 42.059 -0.014 0.000 1.168 34 L HN 0.867 nan 8.230 nan 0.000 0.434 35 A N 6.945 129.762 122.820 -0.005 0.000 2.425 35 A HA 0.370 4.690 4.320 0.000 0.000 0.242 35 A C -1.582 176.001 177.584 -0.002 0.000 1.077 35 A CA -0.753 51.283 52.037 -0.002 0.000 0.781 35 A CB -0.378 18.623 19.000 0.002 0.000 1.020 35 A HN 0.784 nan 8.150 nan 0.000 0.494 36 P HA -0.155 nan 4.420 nan 0.000 0.216 36 P C -1.444 175.855 177.300 -0.002 0.000 1.157 36 P CA 1.931 65.030 63.100 -0.002 0.000 0.880 36 P CB -0.795 30.904 31.700 -0.001 0.000 0.791 37 P HA -0.147 nan 4.420 nan 0.000 0.216 37 P C 1.425 178.725 177.300 0.001 0.000 1.150 37 P CA 1.981 65.082 63.100 0.001 0.000 0.837 37 P CB -0.640 31.062 31.700 0.004 0.000 0.786 38 A N -0.175 122.645 122.820 0.000 0.000 1.898 38 A HA -0.199 4.121 4.320 0.000 0.000 0.216 38 A C 2.412 179.994 177.584 -0.005 0.000 1.181 38 A CA 1.520 53.557 52.037 -0.001 0.000 0.620 38 A CB -1.166 17.833 19.000 -0.002 0.000 0.819 38 A HN 0.019 nan 8.150 nan 0.000 0.442 39 R N -0.265 120.231 120.500 -0.007 0.000 2.081 39 R HA -0.167 4.173 4.340 0.000 0.000 0.235 39 R C 1.335 177.628 176.300 -0.011 0.000 1.131 39 R CA 1.880 57.973 56.100 -0.011 0.000 0.960 39 R CB -0.319 29.975 30.300 -0.011 0.000 0.856 39 R HN 0.483 nan 8.270 nan 0.000 0.436 40 D N 0.020 120.416 120.400 -0.007 0.000 2.117 40 D HA -0.130 4.510 4.640 0.000 0.000 0.198 40 D C 2.008 178.305 176.300 -0.005 0.000 0.982 40 D CA 1.031 55.027 54.000 -0.006 0.000 0.828 40 D CB -0.154 40.644 40.800 -0.003 0.000 0.967 40 D HN 0.291 nan 8.370 nan 0.000 0.464 41 R N 0.162 120.662 120.500 -0.001 0.000 2.096 41 R HA -0.072 4.268 4.340 0.000 0.000 0.235 41 R C 2.502 178.802 176.300 0.001 0.000 1.127 41 R CA 0.903 57.004 56.100 0.003 0.000 0.968 41 R CB -0.449 29.855 30.300 0.006 0.000 0.861 41 R HN 0.228 nan 8.270 nan 0.000 0.440 42 C N -0.063 119.234 119.300 -0.005 0.000 2.457 42 C HA 0.002 4.462 4.460 0.000 0.000 0.278 42 C C 2.570 177.547 174.990 -0.022 0.000 1.309 42 C CA 0.401 59.412 59.018 -0.011 0.000 1.735 42 C CB -0.743 26.987 27.740 -0.016 0.000 1.992 42 C HN 0.455 nan 8.230 nan 0.000 0.493 43 R N 1.179 121.665 120.500 -0.023 0.000 2.096 43 R HA -0.088 4.252 4.340 0.000 0.000 0.235 43 R C 2.372 178.656 176.300 -0.026 0.000 1.127 43 R CA 1.563 57.645 56.100 -0.029 0.000 0.968 43 R CB -0.467 29.820 30.300 -0.023 0.000 0.861 43 R HN 0.538 nan 8.270 nan 0.000 0.440 44 A N 0.226 123.036 122.820 -0.016 0.000 1.969 44 A HA -0.156 4.165 4.320 0.000 0.000 0.218 44 A C 2.171 179.745 177.584 -0.018 0.000 1.169 44 A CA 1.728 53.758 52.037 -0.012 0.000 0.635 44 A CB -0.426 18.573 19.000 -0.002 0.000 0.810 44 A HN 0.285 nan 8.150 nan 0.000 0.445 45 S N -0.892 114.800 115.700 -0.014 0.000 2.387 45 S HA -0.150 4.320 4.470 0.000 0.000 0.226 45 S C 1.992 176.546 174.600 -0.078 0.000 1.026 45 S CA 1.355 59.545 58.200 -0.017 0.000 0.972 45 S CB -0.302 62.912 63.200 0.023 0.000 0.814 45 S HN 0.674 nan 8.310 nan 0.000 0.477 46 E N 0.419 120.578 120.200 -0.069 0.000 2.110 46 E HA -0.129 4.221 4.350 0.000 0.000 0.193 46 E C 2.056 178.603 176.600 -0.089 0.000 0.988 46 E CA 1.053 57.399 56.400 -0.091 0.000 0.804 46 E CB -0.323 29.326 29.700 -0.085 0.000 0.745 46 E HN 0.603 nan 8.360 nan 0.000 0.458 47 A N 1.349 124.130 122.820 -0.064 0.000 1.898 47 A HA -0.156 4.164 4.320 0.000 0.000 0.216 47 A C 2.148 179.687 177.584 -0.075 0.000 1.181 47 A CA 1.274 53.281 52.037 -0.051 0.000 0.620 47 A CB -0.411 18.572 19.000 -0.030 0.000 0.819 47 A HN 0.170 nan 8.150 nan 0.000 0.442 48 R N -1.109 119.335 120.500 -0.093 0.000 2.096 48 R HA -0.123 4.218 4.340 0.000 0.000 0.235 48 R C 2.093 178.249 176.300 -0.240 0.000 1.127 48 R CA 1.424 57.456 56.100 -0.114 0.000 0.968 48 R CB -0.623 29.636 30.300 -0.068 0.000 0.861 48 R HN 0.502 nan 8.270 nan 0.000 0.440 49 L N 0.581 121.577 121.223 -0.379 0.000 2.046 49 L HA -0.018 4.322 4.340 0.000 0.000 0.208 49 L C 2.155 178.881 176.870 -0.240 0.000 1.077 49 L CA 2.105 56.627 54.840 -0.530 0.000 0.747 49 L CB -1.010 40.749 42.059 -0.500 0.000 0.896 49 L HN 0.157 nan 8.230 nan 0.000 0.432 50 G N -1.059 107.660 108.800 -0.136 0.000 2.442 50 G HA2 -0.253 3.707 3.960 0.000 0.000 0.219 50 G HA3 -0.253 3.707 3.960 0.000 0.000 0.219 50 G C 1.577 176.446 174.900 -0.051 0.000 1.141 50 G CA 0.847 45.910 45.100 -0.062 0.000 0.763 50 G HN 0.652 nan 8.290 nan 0.000 0.554 51 A N 0.118 122.904 122.820 -0.057 0.000 1.898 51 A HA 0.125 4.445 4.320 0.000 0.000 0.216 51 A C 2.597 180.171 177.584 -0.017 0.000 1.181 51 A CA 1.659 53.679 52.037 -0.029 0.000 0.620 51 A CB -0.639 18.348 19.000 -0.021 0.000 0.819 51 A HN 0.237 nan 8.150 nan 0.000 0.442 52 V N 0.448 120.341 119.914 -0.035 0.000 2.332 52 V HA -0.307 3.813 4.120 0.000 0.000 0.248 52 V C 2.421 178.532 176.094 0.027 0.000 1.055 52 V CA 2.234 64.542 62.300 0.015 0.000 1.038 52 V CB -0.696 31.134 31.823 0.012 0.000 0.651 52 V HN 0.582 nan 8.190 nan 0.000 0.450 53 I N -0.629 119.938 120.570 -0.005 0.000 2.252 53 I HA -0.216 3.954 4.170 0.000 0.000 0.245 53 I C 2.699 178.820 176.117 0.008 0.000 1.102 53 I CA 1.500 62.805 61.300 0.009 0.000 1.385 53 I CB -0.380 37.616 38.000 -0.008 0.000 1.064 53 I HN 0.188 nan 8.210 nan 0.000 0.414 54 R N 1.376 121.876 120.500 -0.001 0.000 2.081 54 R HA -0.154 4.186 4.340 0.000 0.000 0.235 54 R C 1.879 178.185 176.300 0.009 0.000 1.131 54 R CA 1.445 57.545 56.100 0.001 0.000 0.960 54 R CB -0.046 30.251 30.300 -0.004 0.000 0.856 54 R HN 0.356 nan 8.270 nan 0.000 0.436 55 E N -0.486 119.724 120.200 0.017 0.000 2.511 55 E HA 0.094 4.444 4.350 0.000 0.000 0.196 55 E C 0.200 176.820 176.600 0.032 0.000 1.066 55 E CA 0.429 56.844 56.400 0.025 0.000 0.871 55 E CB 0.396 30.115 29.700 0.032 0.000 0.863 55 E HN 0.444 nan 8.360 nan 0.000 0.520 56 A N 1.887 124.727 122.820 0.034 0.000 2.869 56 A HA -0.219 4.101 4.320 0.000 0.000 0.280 56 A C 0.012 177.634 177.584 0.064 0.000 1.458 56 A CA 0.484 52.544 52.037 0.038 0.000 0.776 56 A CB -1.356 17.656 19.000 0.020 0.000 1.028 56 A HN 0.127 nan 8.150 nan 0.000 0.547 57 R N 0.167 120.722 120.500 0.092 0.000 2.643 57 R HA 0.120 4.460 4.340 0.000 0.000 0.270 57 R C 0.519 176.935 176.300 0.193 0.000 1.061 57 R CA -0.098 56.083 56.100 0.135 0.000 1.107 57 R CB 0.094 30.485 30.300 0.152 0.000 0.999 57 R HN 0.713 nan 8.270 nan 0.000 0.460 58 H N 1.919 121.032 119.070 0.072 0.000 3.232 58 H HA 0.216 4.772 4.556 0.000 0.000 0.254 58 H C -0.887 174.512 175.328 0.118 0.000 1.213 58 H CA -0.388 55.694 56.048 0.057 0.000 1.503 58 H CB 0.172 29.942 29.762 0.013 0.000 1.563 58 H HN 0.049 nan 8.280 nan 0.000 0.490 59 V N 6.188 126.299 119.914 0.328 0.000 2.638 59 V HA 0.011 4.131 4.120 0.000 0.000 0.306 59 V C -0.699 175.625 176.094 0.383 0.000 1.052 59 V CA -1.016 61.513 62.300 0.381 0.000 0.885 59 V CB 1.389 33.432 31.823 0.368 0.000 0.999 59 V HN 0.638 nan 8.190 nan 0.000 0.424 60 Y N 3.581 124.141 120.300 0.433 0.000 2.717 60 Y HA 0.373 4.923 4.550 0.000 0.000 0.330 60 Y C 1.360 177.365 175.900 0.176 0.000 1.217 60 Y CA 1.770 60.016 58.100 0.244 0.000 1.506 60 Y CB 0.580 39.233 38.460 0.321 0.000 1.268 60 Y HN 1.051 nan 8.280 nan 0.000 0.561 61 G N 4.135 112.637 108.800 -0.496 0.000 2.234 61 G HA2 -0.305 3.655 3.960 0.000 0.000 0.260 61 G HA3 -0.305 3.655 3.960 0.000 0.000 0.260 61 G C 0.603 175.468 174.900 -0.059 0.000 0.987 61 G CA 0.619 45.544 45.100 -0.292 0.000 0.625 61 G HN 0.677 nan 8.290 nan 0.000 0.532 62 L N -0.146 121.080 121.223 0.005 0.000 2.577 62 L HA 0.303 4.643 4.340 0.000 0.000 0.225 62 L C 2.114 178.992 176.870 0.013 0.000 1.053 62 L CA 1.522 56.394 54.840 0.053 0.000 0.866 62 L CB 0.560 42.700 42.059 0.134 0.000 1.132 62 L HN 0.458 nan 8.230 nan 0.000 0.486 63 T N -4.093 110.465 114.554 0.007 0.000 3.403 63 T HA 0.184 4.534 4.350 0.000 0.000 0.308 63 T C 0.222 174.892 174.700 -0.049 0.000 0.952 63 T CA 0.130 62.226 62.100 -0.008 0.000 0.970 63 T CB 0.028 68.922 68.868 0.044 0.000 1.189 63 T HN 0.161 nan 8.240 nan 0.000 0.528 64 T N -1.880 112.591 114.554 -0.138 0.000 2.864 64 T HA 0.780 5.130 4.350 0.000 0.000 0.299 64 T C 0.603 175.025 174.700 -0.463 0.000 1.166 64 T CA -0.265 61.724 62.100 -0.185 0.000 1.007 64 T CB 1.416 70.267 68.868 -0.028 0.000 1.219 64 T HN 0.306 nan 8.240 nan 0.000 0.506 65 G N -0.087 108.493 108.800 -0.367 0.000 2.525 65 G HA2 0.552 4.512 3.960 0.000 0.000 0.276 65 G HA3 0.552 4.512 3.960 0.000 0.000 0.276 65 G C -1.050 173.440 174.900 -0.682 0.000 1.388 65 G CA -0.739 44.069 45.100 -0.487 0.000 1.050 65 G HN 0.559 nan 8.290 nan 0.000 0.520 66 F N -1.083 118.855 119.950 -0.019 0.000 2.523 66 F HA 0.607 5.134 4.527 0.000 0.000 0.329 66 F C 1.161 177.089 175.800 0.213 0.000 1.061 66 F CA 0.350 58.413 58.000 0.105 0.000 0.967 66 F CB 1.424 40.545 39.000 0.202 0.000 1.218 66 F HN 1.020 nan 8.300 nan 0.000 0.480 67 G N 1.846 110.984 108.800 0.564 0.000 2.611 67 G HA2 -0.294 3.666 3.960 0.000 0.000 0.301 67 G HA3 -0.294 3.666 3.960 0.000 0.000 0.301 67 G C -1.868 173.155 174.900 0.205 0.000 1.233 67 G CA 0.005 45.284 45.100 0.297 0.000 0.993 67 G HN 0.519 nan 8.290 nan 0.000 0.553 68 P HA 0.160 nan 4.420 nan 0.000 0.230 68 P C 1.706 179.046 177.300 0.066 0.000 1.158 68 P CA 0.701 63.849 63.100 0.080 0.000 0.769 68 P CB -0.060 31.670 31.700 0.050 0.000 0.807 69 L N -1.550 119.714 121.223 0.067 0.000 2.612 69 L HA 0.165 4.505 4.340 0.000 0.000 0.230 69 L C 1.995 178.875 176.870 0.016 0.000 1.140 69 L CA 0.098 54.953 54.840 0.024 0.000 0.896 69 L CB -0.645 41.409 42.059 -0.009 0.000 1.065 69 L HN -0.039 nan 8.230 nan 0.000 0.447 70 A N 1.290 124.158 122.820 0.080 0.000 2.121 70 A HA -0.164 4.156 4.320 0.000 0.000 0.218 70 A C 1.991 179.617 177.584 0.071 0.000 1.154 70 A CA 1.312 53.404 52.037 0.091 0.000 0.679 70 A CB -0.489 18.669 19.000 0.263 0.000 0.795 70 A HN 0.645 nan 8.150 nan 0.000 0.458 71 N N -0.420 118.310 118.700 0.051 0.000 2.550 71 N HA -0.063 4.677 4.740 0.000 0.000 0.186 71 N C 0.100 175.609 175.510 -0.002 0.000 1.110 71 N CA 0.325 53.396 53.050 0.035 0.000 0.912 71 N CB -0.224 38.279 38.487 0.027 0.000 0.968 71 N HN 0.199 nan 8.380 nan 0.000 0.448 72 R N 1.101 121.589 120.500 -0.020 0.000 2.205 72 R HA 0.371 4.711 4.340 0.000 0.000 0.342 72 R C -0.181 176.079 176.300 -0.067 0.000 1.058 72 R CA -0.264 55.810 56.100 -0.044 0.000 0.904 72 R CB 0.573 30.843 30.300 -0.050 0.000 1.089 72 R HN 0.162 nan 8.270 nan 0.000 0.471 73 L N 4.037 125.215 121.223 -0.075 0.000 2.397 73 L HA 0.320 4.660 4.340 0.000 0.000 0.271 73 L C 0.155 176.973 176.870 -0.085 0.000 1.148 73 L CA -0.200 54.582 54.840 -0.097 0.000 0.825 73 L CB 0.494 42.472 42.059 -0.134 0.000 1.117 73 L HN 0.354 nan 8.230 nan 0.000 0.456 74 I N 1.264 121.782 120.570 -0.086 0.000 2.509 74 I HA 0.242 4.412 4.170 0.000 0.000 0.293 74 I C 0.246 176.331 176.117 -0.053 0.000 1.020 74 I CA -0.430 60.827 61.300 -0.072 0.000 1.088 74 I CB 1.935 39.881 38.000 -0.091 0.000 1.267 74 I HN 0.602 nan 8.210 nan 0.000 0.430 75 S N 2.757 118.433 115.700 -0.041 0.000 2.584 75 S HA 0.334 4.804 4.470 0.000 0.000 0.273 75 S C 1.307 175.894 174.600 -0.022 0.000 1.311 75 S CA -0.099 58.084 58.200 -0.029 0.000 1.034 75 S CB 1.466 64.651 63.200 -0.025 0.000 0.939 75 S HN 0.889 nan 8.310 nan 0.000 0.513 76 G N 1.770 110.560 108.800 -0.016 0.000 2.475 76 G HA2 -0.276 3.684 3.960 0.000 0.000 0.220 76 G HA3 -0.276 3.684 3.960 0.000 0.000 0.220 76 G C 1.359 176.252 174.900 -0.011 0.000 1.125 76 G CA 0.903 45.997 45.100 -0.011 0.000 0.755 76 G HN 0.940 nan 8.290 nan 0.000 0.565 77 E N 0.796 120.989 120.200 -0.012 0.000 2.267 77 E HA -0.133 4.217 4.350 0.000 0.000 0.197 77 E C 0.951 177.545 176.600 -0.009 0.000 0.998 77 E CA 0.958 57.352 56.400 -0.011 0.000 0.830 77 E CB -0.320 29.374 29.700 -0.011 0.000 0.751 77 E HN 0.437 nan 8.360 nan 0.000 0.491 78 N N 0.622 119.317 118.700 -0.009 0.000 2.204 78 N HA 0.085 4.825 4.740 0.000 0.000 0.219 78 N C 1.382 176.892 175.510 -0.001 0.000 1.151 78 N CA 0.073 53.121 53.050 -0.004 0.000 0.867 78 N CB 1.186 39.669 38.487 -0.007 0.000 1.043 78 N HN 0.007 nan 8.380 nan 0.000 0.516 79 V N 1.059 120.971 119.914 -0.003 0.000 2.427 79 V HA -0.144 3.976 4.120 0.000 0.000 0.248 79 V C 2.453 178.559 176.094 0.021 0.000 1.051 79 V CA 1.351 63.654 62.300 0.006 0.000 1.048 79 V CB -0.240 31.586 31.823 0.006 0.000 0.666 79 V HN 0.265 nan 8.190 nan 0.000 0.456 80 R N -0.035 120.471 120.500 0.010 0.000 2.081 80 R HA -0.129 4.211 4.340 0.000 0.000 0.235 80 R C 2.392 178.697 176.300 0.008 0.000 1.131 80 R CA 1.946 58.050 56.100 0.006 0.000 0.960 80 R CB -0.868 29.429 30.300 -0.005 0.000 0.856 80 R HN 0.501 nan 8.270 nan 0.000 0.436 81 T N 2.087 116.650 114.554 0.014 0.000 2.777 81 T HA -0.121 4.229 4.350 0.000 0.000 0.266 81 T C 1.823 176.551 174.700 0.048 0.000 1.040 81 T CA 0.949 63.062 62.100 0.023 0.000 1.141 81 T CB -0.244 68.641 68.868 0.028 0.000 0.868 81 T HN 0.091 nan 8.240 nan 0.000 0.444 82 L N 1.392 122.655 121.223 0.066 0.000 1.989 82 L HA -0.153 4.188 4.340 0.000 0.000 0.211 82 L C 2.406 179.412 176.870 0.225 0.000 1.071 82 L CA 1.865 56.787 54.840 0.137 0.000 0.749 82 L CB -0.678 41.423 42.059 0.070 0.000 0.890 82 L HN 0.241 nan 8.230 nan 0.000 0.431 83 Q N -0.845 119.044 119.800 0.148 0.000 2.224 83 Q HA -0.095 4.245 4.340 0.000 0.000 0.203 83 Q C 2.198 178.167 176.000 -0.051 0.000 0.970 83 Q CA 1.176 57.037 55.803 0.098 0.000 0.865 83 Q CB -0.278 28.503 28.738 0.071 0.000 0.922 83 Q HN 0.721 nan 8.270 nan 0.000 0.445 84 A N 1.566 124.339 122.820 -0.079 0.000 1.898 84 A HA -0.167 4.153 4.320 0.000 0.000 0.216 84 A C 1.733 179.078 177.584 -0.397 0.000 1.181 84 A CA 1.279 53.168 52.037 -0.247 0.000 0.620 84 A CB -0.277 18.613 19.000 -0.184 0.000 0.819 84 A HN 0.260 nan 8.150 nan 0.000 0.442 85 N N -0.212 118.425 118.700 -0.104 0.000 2.331 85 N HA -0.092 4.648 4.740 0.000 0.000 0.180 85 N C 1.539 177.120 175.510 0.119 0.000 1.019 85 N CA 1.151 54.249 53.050 0.079 0.000 0.881 85 N CB -0.477 38.147 38.487 0.227 0.000 0.972 85 N HN 0.443 nan 8.380 nan 0.000 0.435 86 L N 0.921 122.124 121.223 -0.032 0.000 1.989 86 L HA -0.096 4.244 4.340 0.000 0.000 0.211 86 L C 1.924 178.373 176.870 -0.703 0.000 1.071 86 L CA 1.415 55.967 54.840 -0.480 0.000 0.749 86 L CB -0.659 41.013 42.059 -0.645 0.000 0.890 86 L HN -0.113 nan 8.230 nan 0.000 0.431 87 V N -0.375 119.277 119.914 -0.437 0.000 2.407 87 V HA -0.339 3.781 4.120 0.000 0.000 0.248 87 V C 2.356 178.287 176.094 -0.272 0.000 1.055 87 V CA 2.187 64.264 62.300 -0.372 0.000 1.049 87 V CB -1.029 30.622 31.823 -0.287 0.000 0.662 87 V HN 0.623 nan 8.190 nan 0.000 0.455 88 H N -0.206 118.734 119.070 -0.217 0.000 2.276 88 H HA -0.166 4.390 4.556 0.000 0.000 0.301 88 H C 2.236 177.506 175.328 -0.097 0.000 1.073 88 H CA 1.893 57.867 56.048 -0.123 0.000 1.311 88 H CB -0.299 29.457 29.762 -0.009 0.000 1.379 88 H HN 0.598 nan 8.280 nan 0.000 0.494 89 F N 0.636 120.618 119.950 0.052 0.000 2.451 89 F HA -0.034 4.493 4.527 0.000 0.000 0.299 89 F C 1.608 177.382 175.800 -0.043 0.000 1.101 89 F CA 0.773 58.773 58.000 -0.000 0.000 1.436 89 F CB -0.645 38.360 39.000 0.009 0.000 1.074 89 F HN 0.015 nan 8.300 nan 0.000 0.553 90 L N 0.535 121.435 121.223 -0.537 0.000 2.446 90 L HA 0.259 4.599 4.340 0.000 0.000 0.219 90 L C 1.881 178.599 176.870 -0.253 0.000 1.116 90 L CA 0.367 54.950 54.840 -0.428 0.000 0.844 90 L CB -0.534 41.144 42.059 -0.635 0.000 0.970 90 L HN 0.260 nan 8.230 nan 0.000 0.457 91 A N 0.106 122.742 122.820 -0.306 0.000 3.029 91 A HA 0.149 4.469 4.320 0.000 0.000 0.251 91 A C 1.171 178.707 177.584 -0.080 0.000 1.749 91 A CA 0.205 51.927 52.037 -0.525 0.000 1.386 91 A CB -0.671 17.966 19.000 -0.605 0.000 1.043 91 A HN 0.350 nan 8.150 nan 0.000 0.638 92 S N -0.612 115.144 115.700 0.094 0.000 2.601 92 S HA 0.382 4.852 4.470 0.000 0.000 0.244 92 S C 0.848 175.550 174.600 0.171 0.000 1.001 92 S CA 0.047 58.326 58.200 0.133 0.000 0.984 92 S CB 0.117 63.368 63.200 0.085 0.000 0.842 92 S HN 0.738 nan 8.310 nan 0.000 0.474 93 G N 1.522 110.528 108.800 0.343 0.000 2.483 93 G HA2 0.510 4.470 3.960 0.000 0.000 0.248 93 G HA3 0.510 4.470 3.960 0.000 0.000 0.248 93 G C -0.136 174.731 174.900 -0.055 0.000 1.248 93 G CA 0.027 45.162 45.100 0.058 0.000 0.838 93 G HN 0.969 nan 8.290 nan 0.000 0.566 94 V N -0.755 119.123 119.914 -0.061 0.000 3.167 94 V HA 1.036 5.156 4.120 0.000 0.000 0.310 94 V C 0.576 176.633 176.094 -0.061 0.000 1.207 94 V CA -0.138 62.129 62.300 -0.055 0.000 1.059 94 V CB 1.101 32.913 31.823 -0.018 0.000 1.079 94 V HN 2.528 nan 8.190 nan 0.000 0.446 95 G N 0.482 109.255 108.800 -0.046 0.000 2.712 95 G HA2 0.061 4.021 3.960 0.000 0.000 0.683 95 G HA3 0.061 4.021 3.960 0.000 0.000 0.683 95 G C -2.748 172.126 174.900 -0.043 0.000 1.320 95 G CA -0.313 44.765 45.100 -0.036 0.000 0.847 95 G HN 1.123 nan 8.290 nan 0.000 0.553 96 P HA 0.391 nan 4.420 nan 0.000 0.266 96 P C 0.871 178.152 177.300 -0.032 0.000 1.195 96 P CA 0.485 63.572 63.100 -0.021 0.000 0.768 96 P CB 0.787 32.484 31.700 -0.006 0.000 0.838 97 V N 1.704 121.600 119.914 -0.031 0.000 3.051 97 V HA 0.151 4.272 4.120 0.000 0.000 0.306 97 V C 0.691 176.778 176.094 -0.013 0.000 1.083 97 V CA -0.659 61.618 62.300 -0.039 0.000 1.104 97 V CB -0.488 31.316 31.823 -0.032 0.000 1.027 97 V HN 0.300 nan 8.190 nan 0.000 0.483 98 L N 2.661 123.873 121.223 -0.019 0.000 2.461 98 L HA 0.260 4.600 4.340 0.000 0.000 0.272 98 L C 0.618 177.508 176.870 0.032 0.000 1.197 98 L CA -0.247 54.594 54.840 0.002 0.000 0.836 98 L CB 0.195 42.245 42.059 -0.015 0.000 1.105 98 L HN 1.022 nan 8.230 nan 0.000 0.477 99 D N 0.053 120.489 120.400 0.059 0.000 2.368 99 D HA -0.115 4.525 4.640 0.000 0.000 0.240 99 D C 0.727 177.119 176.300 0.153 0.000 1.169 99 D CA -0.432 53.636 54.000 0.113 0.000 0.906 99 D CB 0.537 41.409 40.800 0.120 0.000 1.187 99 D HN 0.544 nan 8.370 nan 0.000 0.435 100 W N 1.395 122.698 121.300 0.005 0.000 2.280 100 W HA -0.327 4.333 4.660 0.000 0.000 0.332 100 W C 2.218 178.731 176.519 -0.011 0.000 1.300 100 W CA 2.896 60.243 57.345 0.004 0.000 1.274 100 W CB -0.862 28.602 29.460 0.007 0.000 1.141 100 W HN 0.457 nan 8.180 nan 0.000 0.474 101 T N -0.302 114.403 114.554 0.252 0.000 2.746 101 T HA -0.217 4.133 4.350 0.000 0.000 0.267 101 T C 1.554 176.189 174.700 -0.108 0.000 1.039 101 T CA 2.319 64.420 62.100 0.002 0.000 1.142 101 T CB -0.874 68.071 68.868 0.129 0.000 0.866 101 T HN 0.210 nan 8.240 nan 0.000 0.444 102 T N 1.934 116.476 114.554 -0.020 0.000 2.777 102 T HA 0.033 4.383 4.350 0.000 0.000 0.266 102 T C 2.435 177.090 174.700 -0.075 0.000 1.040 102 T CA 1.076 63.160 62.100 -0.027 0.000 1.141 102 T CB -0.537 68.342 68.868 0.019 0.000 0.868 102 T HN 0.424 nan 8.240 nan 0.000 0.444 103 A N 1.712 124.476 122.820 -0.093 0.000 1.933 103 A HA -0.120 4.200 4.320 0.000 0.000 0.218 103 A C 2.366 179.846 177.584 -0.172 0.000 1.175 103 A CA 1.420 53.388 52.037 -0.116 0.000 0.628 103 A CB -0.455 18.480 19.000 -0.108 0.000 0.814 103 A HN 0.405 nan 8.150 nan 0.000 0.444 104 R N -0.713 119.621 120.500 -0.277 0.000 2.115 104 R HA 0.047 4.387 4.340 0.000 0.000 0.226 104 R C 2.413 178.583 176.300 -0.216 0.000 1.100 104 R CA 0.962 56.871 56.100 -0.317 0.000 0.980 104 R CB -0.366 29.600 30.300 -0.557 0.000 0.875 104 R HN 0.500 nan 8.270 nan 0.000 0.445 105 A N 1.137 123.849 122.820 -0.180 0.000 1.972 105 A HA -0.182 4.138 4.320 0.000 0.000 0.219 105 A C 2.101 179.632 177.584 -0.089 0.000 1.169 105 A CA 1.257 53.220 52.037 -0.122 0.000 0.635 105 A CB -0.422 18.529 19.000 -0.081 0.000 0.810 105 A HN 0.321 nan 8.150 nan 0.000 0.446 106 M N -0.319 119.231 119.600 -0.084 0.000 2.132 106 M HA -0.109 4.371 4.480 0.000 0.000 0.263 106 M C 1.854 178.114 176.300 -0.067 0.000 1.065 106 M CA 1.911 57.173 55.300 -0.063 0.000 1.122 106 M CB -0.204 32.362 32.600 -0.057 0.000 1.365 106 M HN 0.184 nan 8.290 nan 0.000 0.411 107 V N 1.093 120.957 119.914 -0.084 0.000 2.343 107 V HA -0.270 3.850 4.120 0.000 0.000 0.247 107 V C 2.418 178.470 176.094 -0.070 0.000 1.051 107 V CA 1.691 63.946 62.300 -0.075 0.000 1.036 107 V CB -0.949 30.822 31.823 -0.086 0.000 0.654 107 V HN 0.585 nan 8.190 nan 0.000 0.451 108 L N 1.010 122.182 121.223 -0.085 0.000 2.046 108 L HA -0.086 4.254 4.340 0.000 0.000 0.208 108 L C 2.460 179.293 176.870 -0.062 0.000 1.077 108 L CA 2.382 57.176 54.840 -0.077 0.000 0.747 108 L CB -1.002 41.002 42.059 -0.092 0.000 0.896 108 L HN 0.214 nan 8.230 nan 0.000 0.432 109 A N -0.400 122.385 122.820 -0.059 0.000 1.908 109 A HA -0.279 4.041 4.320 0.000 0.000 0.218 109 A C 2.477 180.037 177.584 -0.040 0.000 1.181 109 A CA 1.944 53.952 52.037 -0.049 0.000 0.627 109 A CB -0.638 18.337 19.000 -0.042 0.000 0.818 109 A HN 0.492 nan 8.150 nan 0.000 0.445 110 R N -0.762 119.716 120.500 -0.037 0.000 2.092 110 R HA -0.064 4.276 4.340 0.000 0.000 0.231 110 R C 1.934 178.219 176.300 -0.025 0.000 1.119 110 R CA 1.456 57.541 56.100 -0.026 0.000 0.970 110 R CB -0.595 29.689 30.300 -0.026 0.000 0.864 110 R HN 0.452 nan 8.270 nan 0.000 0.440 111 L N -0.187 121.017 121.223 -0.033 0.000 2.046 111 L HA -0.088 4.252 4.340 0.000 0.000 0.208 111 L C 1.872 178.724 176.870 -0.030 0.000 1.077 111 L CA 1.616 56.438 54.840 -0.031 0.000 0.747 111 L CB -0.478 41.559 42.059 -0.038 0.000 0.896 111 L HN 0.054 nan 8.230 nan 0.000 0.432 112 V N -1.026 118.865 119.914 -0.038 0.000 2.407 112 V HA -0.262 3.858 4.120 0.000 0.000 0.248 112 V C 2.762 178.839 176.094 -0.030 0.000 1.055 112 V CA 1.774 64.049 62.300 -0.041 0.000 1.049 112 V CB -0.825 30.962 31.823 -0.059 0.000 0.662 112 V HN 0.638 nan 8.190 nan 0.000 0.455 113 S N -0.262 115.423 115.700 -0.026 0.000 2.356 113 S HA -0.141 4.329 4.470 0.000 0.000 0.223 113 S C 1.938 176.535 174.600 -0.005 0.000 1.032 113 S CA 1.675 59.865 58.200 -0.016 0.000 1.005 113 S CB -0.339 62.853 63.200 -0.013 0.000 0.867 113 S HN 0.516 nan 8.310 nan 0.000 0.449 114 I N 1.763 122.332 120.570 -0.002 0.000 2.286 114 I HA -0.166 4.004 4.170 0.000 0.000 0.248 114 I C 2.672 178.792 176.117 0.004 0.000 1.115 114 I CA 1.087 62.392 61.300 0.007 0.000 1.392 114 I CB -0.493 37.508 38.000 0.002 0.000 1.065 114 I HN 0.378 nan 8.210 nan 0.000 0.418 115 A N 0.048 122.865 122.820 -0.006 0.000 2.186 115 A HA -0.194 4.126 4.320 0.000 0.000 0.219 115 A C 2.097 179.681 177.584 0.001 0.000 1.159 115 A CA 1.156 53.189 52.037 -0.006 0.000 0.680 115 A CB -0.323 18.669 19.000 -0.013 0.000 0.787 115 A HN 0.412 nan 8.150 nan 0.000 0.467 116 Q N -1.181 118.621 119.800 0.004 0.000 2.369 116 Q HA 0.079 4.419 4.340 0.000 0.000 0.206 116 Q C 1.224 177.233 176.000 0.016 0.000 0.963 116 Q CA 0.826 56.634 55.803 0.008 0.000 0.894 116 Q CB -0.489 28.251 28.738 0.004 0.000 0.965 116 Q HN 1.063 nan 8.270 nan 0.000 0.475 117 G N 0.485 109.298 108.800 0.021 0.000 2.248 117 G HA2 -0.168 3.792 3.960 0.000 0.000 0.263 117 G HA3 -0.168 3.792 3.960 0.000 0.000 0.263 117 G C 0.413 175.347 174.900 0.057 0.000 1.082 117 G CA 0.394 45.513 45.100 0.031 0.000 0.863 117 G HN 0.521 nan 8.290 nan 0.000 0.495 118 A N -1.062 121.804 122.820 0.077 0.000 2.661 118 A HA 0.713 5.033 4.320 0.000 0.000 0.278 118 A C 1.625 179.331 177.584 0.204 0.000 1.090 118 A CA 1.365 53.475 52.037 0.121 0.000 0.969 118 A CB 0.241 19.271 19.000 0.051 0.000 1.240 118 A HN 0.815 nan 8.150 nan 0.000 0.578 119 S N -1.055 114.758 115.700 0.189 0.000 2.502 119 S HA 0.366 4.836 4.470 0.000 0.000 0.215 119 S C 1.556 176.337 174.600 0.302 0.000 1.009 119 S CA 0.735 59.077 58.200 0.235 0.000 0.908 119 S CB 0.415 63.683 63.200 0.114 0.000 0.801 119 S HN 1.694 nan 8.310 nan 0.000 0.505 120 G N 1.871 110.766 108.800 0.159 0.000 2.162 120 G HA2 -0.237 3.723 3.960 0.000 0.000 0.260 120 G HA3 -0.237 3.723 3.960 0.000 0.000 0.260 120 G C 0.231 175.114 174.900 -0.028 0.000 0.976 120 G CA 0.011 45.093 45.100 -0.031 0.000 0.655 120 G HN 0.906 nan 8.290 nan 0.000 0.533 121 A N 0.524 123.349 122.820 0.008 0.000 2.546 121 A HA 0.592 4.912 4.320 0.000 0.000 0.243 121 A C 1.177 178.714 177.584 -0.078 0.000 1.063 121 A CA 1.054 53.079 52.037 -0.021 0.000 0.757 121 A CB 0.146 19.141 19.000 -0.007 0.000 0.991 121 A HN 2.039 nan 8.150 nan 0.000 0.503 122 S N 1.910 117.526 115.700 -0.139 0.000 2.600 122 S HA 0.159 4.629 4.470 0.000 0.000 0.265 122 S C 0.736 175.228 174.600 -0.179 0.000 1.325 122 S CA 0.170 58.215 58.200 -0.258 0.000 1.002 122 S CB 0.613 63.454 63.200 -0.599 0.000 0.921 122 S HN 0.715 nan 8.310 nan 0.000 0.554 123 E N 1.362 121.456 120.200 -0.176 0.000 2.118 123 E HA -0.096 4.254 4.350 0.000 0.000 0.195 123 E C 2.126 178.674 176.600 -0.087 0.000 0.992 123 E CA 1.130 57.468 56.400 -0.104 0.000 0.804 123 E CB -0.720 28.931 29.700 -0.082 0.000 0.741 123 E HN 0.893 nan 8.360 nan 0.000 0.458 124 G N 0.531 109.264 108.800 -0.111 0.000 2.402 124 G HA2 -0.244 3.716 3.960 0.000 0.000 0.216 124 G HA3 -0.244 3.716 3.960 0.000 0.000 0.216 124 G C 1.631 176.505 174.900 -0.044 0.000 1.162 124 G CA 1.196 46.261 45.100 -0.059 0.000 0.777 124 G HN 0.177 nan 8.290 nan 0.000 0.539 125 T N 1.347 115.865 114.554 -0.062 0.000 2.746 125 T HA -0.032 4.318 4.350 0.000 0.000 0.267 125 T C 2.377 177.059 174.700 -0.030 0.000 1.039 125 T CA 0.882 62.962 62.100 -0.035 0.000 1.142 125 T CB -0.143 68.703 68.868 -0.036 0.000 0.866 125 T HN 0.235 nan 8.240 nan 0.000 0.444 126 I N 1.260 121.806 120.570 -0.040 0.000 2.286 126 I HA -0.154 4.016 4.170 0.000 0.000 0.248 126 I C 2.861 178.963 176.117 -0.026 0.000 1.115 126 I CA 0.954 62.235 61.300 -0.031 0.000 1.392 126 I CB -0.420 37.560 38.000 -0.035 0.000 1.065 126 I HN 0.193 nan 8.210 nan 0.000 0.418 127 A N 0.716 123.520 122.820 -0.027 0.000 1.930 127 A HA -0.152 4.168 4.320 0.000 0.000 0.217 127 A C 2.326 179.903 177.584 -0.012 0.000 1.175 127 A CA 1.128 53.153 52.037 -0.019 0.000 0.627 127 A CB -0.339 18.650 19.000 -0.019 0.000 0.815 127 A HN 0.231 nan 8.150 nan 0.000 0.443 128 R N -0.139 120.356 120.500 -0.007 0.000 2.096 128 R HA -0.023 4.317 4.340 0.000 0.000 0.235 128 R C 2.007 178.310 176.300 0.005 0.000 1.127 128 R CA 1.160 57.263 56.100 0.005 0.000 0.968 128 R CB -0.990 29.318 30.300 0.014 0.000 0.861 128 R HN 0.596 nan 8.270 nan 0.000 0.440 129 L N 0.097 121.316 121.223 -0.007 0.000 2.044 129 L HA -0.082 4.258 4.340 0.000 0.000 0.205 129 L C 2.492 179.349 176.870 -0.022 0.000 1.075 129 L CA 1.082 55.913 54.840 -0.015 0.000 0.747 129 L CB -0.466 41.579 42.059 -0.023 0.000 0.903 129 L HN 0.058 nan 8.230 nan 0.000 0.435 130 I N 0.017 120.574 120.570 -0.022 0.000 2.179 130 I HA -0.294 3.876 4.170 0.000 0.000 0.242 130 I C 2.154 178.259 176.117 -0.020 0.000 1.088 130 I CA 1.232 62.518 61.300 -0.024 0.000 1.357 130 I CB -0.427 37.561 38.000 -0.021 0.000 1.051 130 I HN 0.280 nan 8.210 nan 0.000 0.409 131 D N 0.786 121.178 120.400 -0.014 0.000 2.123 131 D HA -0.180 4.460 4.640 0.000 0.000 0.196 131 D C 2.146 178.438 176.300 -0.013 0.000 0.992 131 D CA 0.973 54.966 54.000 -0.013 0.000 0.833 131 D CB -0.351 40.442 40.800 -0.011 0.000 0.954 131 D HN 0.168 nan 8.370 nan 0.000 0.455 132 L N 0.875 122.094 121.223 -0.006 0.000 2.012 132 L HA -0.143 4.198 4.340 0.000 0.000 0.210 132 L C 2.173 179.024 176.870 -0.033 0.000 1.073 132 L CA 1.400 56.241 54.840 0.001 0.000 0.748 132 L CB -0.903 41.173 42.059 0.028 0.000 0.891 132 L HN 0.089 nan 8.230 nan 0.000 0.431 133 L N 0.100 121.292 121.223 -0.052 0.000 2.191 133 L HA -0.198 4.142 4.340 0.000 0.000 0.212 133 L C 1.856 178.697 176.870 -0.048 0.000 1.103 133 L CA 0.838 55.630 54.840 -0.080 0.000 0.769 133 L CB -0.548 41.464 42.059 -0.078 0.000 0.908 133 L HN 0.376 nan 8.230 nan 0.000 0.438 134 N N -0.542 118.144 118.700 -0.023 0.000 2.398 134 N HA -0.008 4.732 4.740 0.000 0.000 0.188 134 N C 0.880 176.400 175.510 0.017 0.000 1.122 134 N CA 0.340 53.389 53.050 -0.003 0.000 0.866 134 N CB 0.207 38.691 38.487 -0.005 0.000 0.970 134 N HN 0.332 nan 8.380 nan 0.000 0.462 135 S N -0.083 115.628 115.700 0.018 0.000 2.694 135 S HA 0.296 4.766 4.470 0.000 0.000 0.278 135 S C 0.766 175.437 174.600 0.119 0.000 1.152 135 S CA -0.456 57.768 58.200 0.040 0.000 1.010 135 S CB 1.491 64.695 63.200 0.008 0.000 1.104 135 S HN -0.083 nan 8.310 nan 0.000 0.547 136 E N 0.022 120.318 120.200 0.159 0.000 2.444 136 E HA 0.347 4.697 4.350 0.000 0.000 0.191 136 E C -0.113 176.787 176.600 0.499 0.000 1.041 136 E CA -0.003 56.584 56.400 0.311 0.000 0.883 136 E CB -0.139 29.650 29.700 0.149 0.000 1.024 136 E HN 0.504 nan 8.360 nan 0.000 0.470 137 L N -0.209 121.214 121.223 0.333 0.000 2.335 137 L HA 0.757 5.097 4.340 0.000 0.000 0.268 137 L C -0.012 176.954 176.870 0.160 0.000 1.016 137 L CA -1.083 53.978 54.840 0.368 0.000 0.805 137 L CB 1.494 43.648 42.059 0.158 0.000 1.311 137 L HN -0.178 nan 8.230 nan 0.000 0.456 138 A N 0.777 123.709 122.820 0.186 0.000 2.549 138 A HA 0.799 5.120 4.320 0.000 0.000 0.297 138 A C -2.822 174.833 177.584 0.119 0.000 1.061 138 A CA -1.350 50.652 52.037 -0.058 0.000 0.690 138 A CB 1.884 20.645 19.000 -0.398 0.000 1.287 138 A HN 0.367 nan 8.150 nan 0.000 0.402 139 P HA 0.398 nan 4.420 nan 0.000 0.275 139 P C -0.349 176.855 177.300 -0.161 0.000 1.228 139 P CA 0.059 63.014 63.100 -0.243 0.000 0.786 139 P CB 1.364 32.919 31.700 -0.242 0.000 0.927 140 A N 3.376 126.075 122.820 -0.203 0.000 2.316 140 A HA 0.502 4.822 4.320 0.000 0.000 0.311 140 A C 0.215 177.724 177.584 -0.125 0.000 1.339 140 A CA -0.461 51.513 52.037 -0.105 0.000 0.960 140 A CB -0.441 18.518 19.000 -0.069 0.000 1.152 140 A HN 0.444 nan 8.150 nan 0.000 0.547 141 V N 1.107 120.953 119.914 -0.114 0.000 2.588 141 V HA 0.744 4.864 4.120 0.000 0.000 0.304 141 V C -2.816 173.168 176.094 -0.184 0.000 1.042 141 V CA -2.599 59.608 62.300 -0.155 0.000 0.877 141 V CB 1.814 33.581 31.823 -0.093 0.000 0.996 141 V HN 0.651 nan 8.190 nan 0.000 0.425 142 P HA 0.122 nan 4.420 nan 0.000 0.268 142 P C 0.840 178.053 177.300 -0.146 0.000 1.205 142 P CA 0.374 63.333 63.100 -0.234 0.000 0.771 142 P CB 1.347 32.845 31.700 -0.337 0.000 0.858 143 S N 2.632 118.281 115.700 -0.085 0.000 2.461 143 S HA 0.013 4.483 4.470 0.000 0.000 0.228 143 S C 0.846 175.426 174.600 -0.034 0.000 1.005 143 S CA 0.134 58.306 58.200 -0.046 0.000 0.942 143 S CB -0.105 63.081 63.200 -0.024 0.000 0.776 143 S HN 0.407 nan 8.310 nan 0.000 0.514 144 R N -0.078 120.399 120.500 -0.039 0.000 2.668 144 R HA 0.616 4.956 4.340 0.000 0.000 0.279 144 R C 0.758 177.049 176.300 -0.014 0.000 0.976 144 R CA 0.020 56.108 56.100 -0.020 0.000 0.978 144 R CB 1.482 31.773 30.300 -0.014 0.000 1.133 144 R HN 0.343 nan 8.270 nan 0.000 0.484 145 G N 0.279 109.082 108.800 0.004 0.000 2.813 145 G HA2 -0.206 3.754 3.960 0.000 0.000 0.194 145 G HA3 -0.206 3.754 3.960 0.000 0.000 0.194 145 G C 0.065 174.978 174.900 0.022 0.000 1.010 145 G CA -0.091 45.020 45.100 0.019 0.000 0.771 145 G HN 0.599 nan 8.290 nan 0.000 0.485 146 T N 0.567 115.130 114.554 0.016 0.000 2.925 146 T HA 0.539 4.889 4.350 0.000 0.000 0.285 146 T C 1.382 176.094 174.700 0.020 0.000 1.021 146 T CA 0.423 62.531 62.100 0.013 0.000 1.042 146 T CB 1.705 70.576 68.868 0.006 0.000 1.037 146 T HN 1.110 nan 8.240 nan 0.000 0.481 147 V N 1.078 121.005 119.914 0.021 0.000 3.542 147 V HA 0.614 4.734 4.120 0.000 0.000 0.296 147 V C 1.135 177.253 176.094 0.039 0.000 1.364 147 V CA 0.255 62.574 62.300 0.033 0.000 1.118 147 V CB -1.258 30.587 31.823 0.035 0.000 0.972 147 V HN 1.368 nan 8.190 nan 0.000 0.430 153 L N -0.299 120.881 121.223 -0.073 0.000 2.017 153 L HA -0.141 4.199 4.340 0.000 0.000 0.208 153 L C 2.399 179.205 176.870 -0.108 0.000 1.073 153 L CA 1.476 56.248 54.840 -0.113 0.000 0.745 153 L CB -0.696 41.269 42.059 -0.156 0.000 0.894 153 L HN 0.103 nan 8.230 nan 0.000 0.432 154 T N 0.593 115.108 114.554 -0.064 0.000 2.607 154 T HA -0.117 4.233 4.350 0.000 0.000 0.267 154 T C -0.423 174.329 174.700 0.087 0.000 1.049 154 T CA 1.989 64.084 62.100 -0.009 0.000 1.162 154 T CB -1.257 67.636 68.868 0.042 0.000 0.863 154 T HN 0.319 nan 8.240 nan 0.000 0.424 155 P HA 0.011 nan 4.420 nan 0.000 0.218 155 P C 1.557 178.877 177.300 0.034 0.000 1.149 155 P CA 1.003 64.144 63.100 0.067 0.000 0.817 155 P CB -0.237 31.466 31.700 0.004 0.000 0.785 156 L N -0.812 120.400 121.223 -0.018 0.000 2.217 156 L HA -0.050 4.290 4.340 0.000 0.000 0.211 156 L C 2.755 179.577 176.870 -0.080 0.000 1.107 156 L CA 1.124 55.935 54.840 -0.048 0.000 0.783 156 L CB -0.933 41.090 42.059 -0.059 0.000 0.919 156 L HN -0.054 nan 8.230 nan 0.000 0.442 157 A N -0.837 121.911 122.820 -0.120 0.000 1.898 157 A HA -0.208 4.112 4.320 0.000 0.000 0.216 157 A C 2.126 179.587 177.584 -0.205 0.000 1.181 157 A CA 1.197 53.107 52.037 -0.212 0.000 0.620 157 A CB -0.675 18.133 19.000 -0.320 0.000 0.819 157 A HN 0.387 nan 8.150 nan 0.000 0.442 158 H N -1.133 117.872 119.070 -0.108 0.000 2.387 158 H HA -0.102 4.454 4.556 0.000 0.000 0.299 158 H C 2.099 177.352 175.328 -0.126 0.000 1.090 158 H CA 1.751 57.737 56.048 -0.103 0.000 1.332 158 H CB -0.272 29.433 29.762 -0.094 0.000 1.386 158 H HN 0.585 nan 8.280 nan 0.000 0.516 159 M N 0.669 120.265 119.600 -0.008 0.000 2.086 159 M HA -0.156 4.324 4.480 0.000 0.000 0.261 159 M C 2.126 178.376 176.300 -0.083 0.000 1.067 159 M CA 1.343 56.601 55.300 -0.069 0.000 1.116 159 M CB -0.132 32.433 32.600 -0.059 0.000 1.348 159 M HN -0.000 nan 8.290 nan 0.000 0.407 160 V N 1.368 121.236 119.914 -0.077 0.000 2.287 160 V HA -0.319 3.801 4.120 0.000 0.000 0.248 160 V C 2.471 178.527 176.094 -0.063 0.000 1.053 160 V CA 1.962 64.220 62.300 -0.070 0.000 1.027 160 V CB -0.860 30.907 31.823 -0.092 0.000 0.646 160 V HN 0.551 nan 8.190 nan 0.000 0.447 161 L N -0.795 120.381 121.223 -0.080 0.000 2.042 161 L HA -0.250 4.090 4.340 0.000 0.000 0.210 161 L C 2.659 179.492 176.870 -0.063 0.000 1.076 161 L CA 1.733 56.540 54.840 -0.056 0.000 0.749 161 L CB -0.764 41.259 42.059 -0.060 0.000 0.893 161 L HN 0.419 nan 8.230 nan 0.000 0.432 162 C N -0.194 119.020 119.300 -0.144 0.000 2.432 162 C HA -0.156 4.304 4.460 0.000 0.000 0.277 162 C C 2.667 177.579 174.990 -0.130 0.000 1.249 162 C CA 0.442 59.257 59.018 -0.338 0.000 1.725 162 C CB -0.850 26.516 27.740 -0.623 0.000 2.028 162 C HN 0.443 nan 8.230 nan 0.000 0.477 163 L N 0.334 121.550 121.223 -0.012 0.000 2.353 163 L HA -0.177 4.163 4.340 0.000 0.000 0.220 163 L C 2.371 179.324 176.870 0.138 0.000 1.133 163 L CA 1.295 56.225 54.840 0.150 0.000 0.798 163 L CB -0.665 41.438 42.059 0.073 0.000 0.922 163 L HN 0.544 nan 8.230 nan 0.000 0.445 164 Q N -0.456 119.394 119.800 0.082 0.000 2.360 164 Q HA 0.129 4.469 4.340 0.000 0.000 0.202 164 Q C 1.358 177.416 176.000 0.097 0.000 0.915 164 Q CA 0.494 56.339 55.803 0.071 0.000 0.943 164 Q CB 0.697 29.456 28.738 0.035 0.000 1.064 164 Q HN 0.550 nan 8.270 nan 0.000 0.511 165 G N 1.790 110.684 108.800 0.157 0.000 2.143 165 G HA2 -0.311 3.649 3.960 0.000 0.000 0.249 165 G HA3 -0.311 3.649 3.960 0.000 0.000 0.249 165 G C 0.570 175.540 174.900 0.116 0.000 0.981 165 G CA 0.089 45.300 45.100 0.185 0.000 0.665 165 G HN 0.316 nan 8.290 nan 0.000 0.528 166 R N 0.143 120.684 120.500 0.068 0.000 2.552 166 R HA 0.469 4.809 4.340 0.000 0.000 0.314 166 R C 1.015 177.323 176.300 0.013 0.000 1.041 166 R CA 0.513 56.638 56.100 0.041 0.000 1.076 166 R CB 0.745 31.069 30.300 0.039 0.000 1.290 166 R HN 0.517 nan 8.270 nan 0.000 0.563 167 G N -0.390 108.401 108.800 -0.015 0.000 2.692 167 G HA2 0.231 4.191 3.960 0.000 0.000 0.291 167 G HA3 0.231 4.191 3.960 0.000 0.000 0.291 167 G C -1.498 173.326 174.900 -0.126 0.000 1.423 167 G CA -0.659 44.397 45.100 -0.074 0.000 0.843 167 G HN -0.122 nan 8.290 nan 0.000 0.486 168 D N -0.575 119.760 120.400 -0.109 0.000 2.358 168 D HA 0.601 5.241 4.640 0.000 0.000 0.244 168 D C -0.525 175.639 176.300 -0.226 0.000 1.163 168 D CA 0.527 54.497 54.000 -0.051 0.000 0.945 168 D CB 0.902 41.703 40.800 0.002 0.000 1.152 168 D HN 0.101 nan 8.370 nan 0.000 0.451 169 F N -0.593 119.381 119.950 0.040 0.000 2.611 169 F HA 0.519 5.046 4.527 0.000 0.000 0.324 169 F C -0.279 175.567 175.800 0.077 0.000 1.061 169 F CA -0.907 57.124 58.000 0.052 0.000 0.954 169 F CB 1.242 40.273 39.000 0.052 0.000 1.301 169 F HN -0.067 nan 8.300 nan 0.000 0.482 170 L N 1.669 123.092 121.223 0.334 0.000 2.365 170 L HA 0.426 4.766 4.340 0.000 0.000 0.273 170 L C -0.972 176.125 176.870 0.377 0.000 1.000 170 L CA -1.050 53.966 54.840 0.292 0.000 0.819 170 L CB 1.804 44.037 42.059 0.289 0.000 1.284 170 L HN 0.599 nan 8.230 nan 0.000 0.418 171 D N 1.238 121.761 120.400 0.205 0.000 2.451 171 D HA 0.180 4.820 4.640 0.000 0.000 0.259 171 D C 0.860 177.047 176.300 -0.189 0.000 1.201 171 D CA -0.555 53.500 54.000 0.092 0.000 1.028 171 D CB 0.741 41.544 40.800 0.004 0.000 1.095 171 D HN 0.303 nan 8.370 nan 0.000 0.539 172 R N -0.801 119.344 120.500 -0.592 0.000 2.159 172 R HA -0.097 4.243 4.340 0.000 0.000 0.237 172 R C 0.389 176.359 176.300 -0.549 0.000 1.131 172 R CA 1.287 56.696 56.100 -1.153 0.000 0.982 172 R CB -0.143 29.558 30.300 -0.997 0.000 0.868 172 R HN 0.512 nan 8.270 nan 0.000 0.453 173 D N -1.181 119.055 120.400 -0.274 0.000 2.328 173 D HA 0.079 4.719 4.640 0.000 0.000 0.221 173 D C 1.093 177.359 176.300 -0.057 0.000 1.072 173 D CA 0.795 54.711 54.000 -0.140 0.000 0.850 173 D CB 0.893 41.634 40.800 -0.099 0.000 0.922 173 D HN 0.424 nan 8.370 nan 0.000 0.516 174 G N 1.039 109.826 108.800 -0.020 0.000 2.176 174 G HA2 -0.273 3.687 3.960 0.000 0.000 0.253 174 G HA3 -0.273 3.687 3.960 0.000 0.000 0.253 174 G C 0.625 175.554 174.900 0.048 0.000 0.979 174 G CA 0.248 45.378 45.100 0.049 0.000 0.641 174 G HN 0.296 nan 8.290 nan 0.000 0.530 175 T N 2.404 116.974 114.554 0.028 0.000 2.853 175 T HA 0.408 4.758 4.350 0.000 0.000 0.298 175 T C 0.901 175.639 174.700 0.064 0.000 0.978 175 T CA 0.088 62.208 62.100 0.033 0.000 1.152 175 T CB 0.608 69.485 68.868 0.015 0.000 0.914 175 T HN 0.422 nan 8.240 nan 0.000 0.539 176 R N 2.689 123.226 120.500 0.062 0.000 2.441 176 R HA 0.562 4.902 4.340 0.000 0.000 0.284 176 R C -0.362 175.990 176.300 0.087 0.000 1.070 176 R CA -0.483 55.666 56.100 0.081 0.000 1.047 176 R CB 0.641 30.976 30.300 0.058 0.000 1.016 176 R HN 0.507 nan 8.270 nan 0.000 0.477 177 L N 1.804 123.104 121.223 0.128 0.000 2.370 177 L HA 0.335 4.675 4.340 0.000 0.000 0.266 177 L C -0.248 176.719 176.870 0.161 0.000 1.002 177 L CA -1.301 53.616 54.840 0.128 0.000 0.818 177 L CB 1.916 44.057 42.059 0.137 0.000 1.325 177 L HN 0.670 nan 8.230 nan 0.000 0.418 178 D N 0.970 121.445 120.400 0.125 0.000 2.377 178 D HA 0.109 4.749 4.640 0.000 0.000 0.245 178 D C 1.195 177.621 176.300 0.211 0.000 1.196 178 D CA -0.048 54.029 54.000 0.130 0.000 0.962 178 D CB 0.795 41.644 40.800 0.082 0.000 1.127 178 D HN 0.571 nan 8.370 nan 0.000 0.471 179 G N -0.186 108.735 108.800 0.201 0.000 2.553 179 G HA2 -0.272 3.688 3.960 0.000 0.000 0.218 179 G HA3 -0.272 3.688 3.960 0.000 0.000 0.218 179 G C 1.523 176.553 174.900 0.218 0.000 1.195 179 G CA 2.088 47.363 45.100 0.290 0.000 0.779 179 G HN 0.713 nan 8.290 nan 0.000 0.577 180 A N 0.613 123.503 122.820 0.118 0.000 1.908 180 A HA -0.105 4.215 4.320 0.000 0.000 0.218 180 A C 2.230 179.830 177.584 0.026 0.000 1.181 180 A CA 2.426 54.500 52.037 0.062 0.000 0.627 180 A CB -0.492 18.535 19.000 0.045 0.000 0.818 180 A HN 0.435 nan 8.150 nan 0.000 0.445 181 E N 0.012 120.234 120.200 0.038 0.000 2.106 181 E HA -0.020 4.330 4.350 0.000 0.000 0.192 181 E C 1.961 178.526 176.600 -0.059 0.000 0.984 181 E CA 1.470 57.872 56.400 0.005 0.000 0.806 181 E CB -0.804 28.914 29.700 0.030 0.000 0.750 181 E HN 0.407 nan 8.360 nan 0.000 0.458 182 G N 0.757 109.509 108.800 -0.080 0.000 2.433 182 G HA2 -0.216 3.744 3.960 0.000 0.000 0.216 182 G HA3 -0.216 3.744 3.960 0.000 0.000 0.216 182 G C 1.602 176.150 174.900 -0.586 0.000 1.186 182 G CA 0.887 45.710 45.100 -0.463 0.000 0.779 182 G HN 0.310 nan 8.290 nan 0.000 0.543 183 L N -0.195 120.799 121.223 -0.382 0.000 2.083 183 L HA -0.048 4.292 4.340 0.000 0.000 0.209 183 L C 2.937 179.712 176.870 -0.157 0.000 1.083 183 L CA 1.185 55.880 54.840 -0.242 0.000 0.752 183 L CB -0.402 41.613 42.059 -0.074 0.000 0.899 183 L HN 0.208 nan 8.230 nan 0.000 0.433 184 R N 0.524 120.957 120.500 -0.113 0.000 2.064 184 R HA -0.180 4.160 4.340 0.000 0.000 0.228 184 R C 2.538 178.790 176.300 -0.080 0.000 1.144 184 R CA 1.594 57.651 56.100 -0.072 0.000 0.932 184 R CB -0.219 30.055 30.300 -0.043 0.000 0.833 184 R HN 0.153 nan 8.270 nan 0.000 0.429 185 R N -0.454 119.993 120.500 -0.089 0.000 2.091 185 R HA -0.107 4.233 4.340 0.000 0.000 0.238 185 R C 1.907 178.157 176.300 -0.084 0.000 1.136 185 R CA 1.878 57.935 56.100 -0.073 0.000 0.959 185 R CB -0.517 29.746 30.300 -0.062 0.000 0.856 185 R HN 0.432 nan 8.270 nan 0.000 0.437 186 G N -0.285 108.430 108.800 -0.142 0.000 2.920 186 G HA2 -0.068 3.892 3.960 0.000 0.000 0.208 186 G HA3 -0.068 3.892 3.960 0.000 0.000 0.208 186 G C -0.222 174.620 174.900 -0.096 0.000 1.159 186 G CA -0.137 44.887 45.100 -0.127 0.000 0.784 186 G HN 0.370 nan 8.290 nan 0.000 0.535 187 R N -1.078 119.368 120.500 -0.089 0.000 3.205 187 R HA -0.138 4.202 4.340 0.000 0.000 0.249 187 R C -0.786 175.477 176.300 -0.060 0.000 0.937 187 R CA 0.288 56.351 56.100 -0.060 0.000 0.641 187 R CB -2.299 27.978 30.300 -0.039 0.000 1.114 187 R HN 0.334 nan 8.270 nan 0.000 0.451 188 L N 0.643 121.818 121.223 -0.081 0.000 2.342 188 L HA 0.414 4.754 4.340 0.000 0.000 0.271 188 L C 0.615 177.466 176.870 -0.032 0.000 1.008 188 L CA -1.176 53.627 54.840 -0.061 0.000 0.818 188 L CB 1.737 43.739 42.059 -0.094 0.000 1.296 188 L HN 0.025 nan 8.230 nan 0.000 0.427 189 Q N 2.889 122.683 119.800 -0.009 0.000 2.259 189 Q HA 0.361 4.701 4.340 0.000 0.000 0.246 189 Q C -2.290 173.724 176.000 0.023 0.000 0.920 189 Q CA -1.825 53.981 55.803 0.005 0.000 0.895 189 Q CB 1.305 30.047 28.738 0.007 0.000 1.220 189 Q HN 0.300 nan 8.270 nan 0.000 0.439 190 P HA 0.014 nan 4.420 nan 0.000 0.271 190 P C -0.311 177.014 177.300 0.041 0.000 1.216 190 P CA -0.497 62.630 63.100 0.046 0.000 0.771 190 P CB 0.562 32.287 31.700 0.041 0.000 0.864 191 L N 3.436 124.687 121.223 0.047 0.000 2.462 191 L HA 0.208 4.548 4.340 0.000 0.000 0.272 191 L C 0.014 176.903 176.870 0.031 0.000 1.166 191 L CA 0.729 55.590 54.840 0.035 0.000 0.880 191 L CB -0.440 41.637 42.059 0.030 0.000 1.142 191 L HN 0.299 nan 8.230 nan 0.000 0.473 192 D N 4.980 125.402 120.400 0.037 0.000 2.408 192 D HA 0.236 4.876 4.640 0.000 0.000 0.243 192 D C -0.198 176.140 176.300 0.062 0.000 1.075 192 D CA -0.290 53.737 54.000 0.044 0.000 0.832 192 D CB 1.243 42.076 40.800 0.055 0.000 1.162 192 D HN 0.659 nan 8.370 nan 0.000 0.515 193 L N 3.296 124.546 121.223 0.045 0.000 2.912 193 L HA 0.076 4.416 4.340 0.000 0.000 0.240 193 L C 2.027 178.933 176.870 0.060 0.000 1.262 193 L CA -0.208 54.666 54.840 0.056 0.000 1.058 193 L CB 0.014 42.084 42.059 0.018 0.000 1.383 193 L HN 0.324 nan 8.230 nan 0.000 0.512 194 S N -1.912 113.823 115.700 0.058 0.000 2.419 194 S HA -0.221 4.249 4.470 0.000 0.000 0.233 194 S C 1.462 176.006 174.600 -0.094 0.000 1.016 194 S CA 1.039 59.217 58.200 -0.037 0.000 0.974 194 S CB -0.442 62.695 63.200 -0.104 0.000 0.786 194 S HN 0.548 nan 8.310 nan 0.000 0.492 195 H N 1.590 120.654 119.070 -0.011 0.000 2.556 195 H HA 0.359 4.915 4.556 0.000 0.000 0.268 195 H C 0.601 175.921 175.328 -0.014 0.000 0.996 195 H CA 0.438 56.476 56.048 -0.016 0.000 1.157 195 H CB -0.191 29.558 29.762 -0.022 0.000 1.355 195 H HN 0.378 nan 8.280 nan 0.000 0.597 196 R N 0.806 121.355 120.500 0.082 0.000 3.651 196 R HA -0.134 4.206 4.340 0.000 0.000 0.292 196 R C -0.742 175.605 176.300 0.078 0.000 1.161 196 R CA 0.859 56.996 56.100 0.062 0.000 0.787 196 R CB -1.819 28.507 30.300 0.042 0.000 1.249 196 R HN 0.541 nan 8.270 nan 0.000 0.476 197 D N -0.943 119.507 120.400 0.083 0.000 2.615 197 D HA 0.240 4.880 4.640 0.000 0.000 0.236 197 D C 1.206 177.544 176.300 0.064 0.000 1.233 197 D CA 0.319 54.363 54.000 0.073 0.000 0.829 197 D CB 0.361 41.188 40.800 0.045 0.000 1.024 197 D HN 0.291 nan 8.370 nan 0.000 0.490 198 A N 0.400 123.254 122.820 0.057 0.000 1.933 198 A HA -0.109 4.211 4.320 0.000 0.000 0.218 198 A C 1.899 179.499 177.584 0.027 0.000 1.175 198 A CA 0.775 52.825 52.037 0.022 0.000 0.628 198 A CB -0.476 18.524 19.000 -0.001 0.000 0.814 198 A HN 0.279 nan 8.150 nan 0.000 0.444 199 L N -0.554 120.718 121.223 0.082 0.000 2.549 199 L HA -0.041 4.300 4.340 0.000 0.000 0.229 199 L C 2.622 179.547 176.870 0.091 0.000 1.158 199 L CA 1.294 56.195 54.840 0.102 0.000 0.842 199 L CB -0.655 41.519 42.059 0.191 0.000 0.952 199 L HN 0.394 nan 8.230 nan 0.000 0.452 200 A N -1.312 121.558 122.820 0.083 0.000 2.072 200 A HA 0.064 4.384 4.320 0.000 0.000 0.216 200 A C 2.152 179.754 177.584 0.030 0.000 1.156 200 A CA 0.877 52.956 52.037 0.070 0.000 0.701 200 A CB -0.208 18.833 19.000 0.068 0.000 0.816 200 A HN 0.381 nan 8.150 nan 0.000 0.458 201 L N -0.955 120.274 121.223 0.010 0.000 2.316 201 L HA 0.109 4.449 4.340 0.000 0.000 0.207 201 L C 0.110 176.960 176.870 -0.033 0.000 1.070 201 L CA 0.308 55.138 54.840 -0.015 0.000 0.820 201 L CB 0.199 42.242 42.059 -0.027 0.000 0.992 201 L HN 0.052 nan 8.230 nan 0.000 0.466 202 V N 1.985 121.871 119.914 -0.046 0.000 2.221 202 V HA 0.354 4.474 4.120 0.000 0.000 0.258 202 V C -0.443 175.625 176.094 -0.044 0.000 1.179 202 V CA -0.198 62.054 62.300 -0.080 0.000 1.022 202 V CB -0.293 31.438 31.823 -0.155 0.000 1.228 202 V HN 0.333 nan 8.190 nan 0.000 0.487 203 N N 1.899 120.587 118.700 -0.020 0.000 3.348 203 N HA 0.518 5.258 4.740 0.000 0.000 0.233 203 N C -0.035 175.495 175.510 0.033 0.000 1.440 203 N CA 0.606 53.667 53.050 0.018 0.000 0.887 203 N CB 2.269 40.788 38.487 0.053 0.000 1.410 203 N HN 0.747 nan 8.380 nan 0.000 0.502 204 G N 0.011 108.863 108.800 0.086 0.000 2.645 204 G HA2 -0.242 3.718 3.960 0.000 0.000 0.246 204 G HA3 -0.242 3.718 3.960 0.000 0.000 0.246 204 G C 0.167 175.109 174.900 0.070 0.000 1.322 204 G CA 0.494 45.649 45.100 0.091 0.000 0.898 204 G HN 1.212 nan 8.290 nan 0.000 0.573 205 T N -3.129 111.454 114.554 0.047 0.000 3.275 205 T HA 0.585 4.935 4.350 0.000 0.000 0.265 205 T C 1.751 176.455 174.700 0.007 0.000 0.978 205 T CA 0.926 63.046 62.100 0.033 0.000 0.923 205 T CB 0.488 69.376 68.868 0.033 0.000 1.126 205 T HN 0.796 nan 8.240 nan 0.000 0.538 206 S N 1.644 117.344 115.700 -0.001 0.000 2.370 206 S HA -0.059 4.411 4.470 0.000 0.000 0.226 206 S C 2.473 177.063 174.600 -0.017 0.000 1.033 206 S CA 1.286 59.477 58.200 -0.015 0.000 1.011 206 S CB -0.568 62.620 63.200 -0.021 0.000 0.852 206 S HN 0.836 nan 8.310 nan 0.000 0.457 207 A N 2.561 125.374 122.820 -0.011 0.000 1.855 207 A HA -0.084 4.236 4.320 0.000 0.000 0.215 207 A C 2.271 179.856 177.584 0.001 0.000 1.191 207 A CA 1.743 53.774 52.037 -0.010 0.000 0.613 207 A CB -0.777 18.218 19.000 -0.009 0.000 0.829 207 A HN 0.665 nan 8.150 nan 0.000 0.442 208 M N -1.572 118.033 119.600 0.008 0.000 2.159 208 M HA -0.076 4.404 4.480 0.000 0.000 0.263 208 M C 1.796 178.104 176.300 0.013 0.000 1.063 208 M CA 2.262 57.572 55.300 0.018 0.000 1.110 208 M CB -1.299 31.315 32.600 0.023 0.000 1.374 208 M HN 0.145 nan 8.290 nan 0.000 0.411 209 T N 1.181 115.733 114.554 -0.002 0.000 2.777 209 T HA 0.001 4.351 4.350 0.000 0.000 0.266 209 T C 1.978 176.676 174.700 -0.003 0.000 1.040 209 T CA 1.639 63.729 62.100 -0.015 0.000 1.141 209 T CB -0.748 68.102 68.868 -0.030 0.000 0.868 209 T HN 0.718 nan 8.240 nan 0.000 0.444 210 G N 1.365 110.161 108.800 -0.007 0.000 2.421 210 G HA2 -0.129 3.831 3.960 0.000 0.000 0.216 210 G HA3 -0.129 3.831 3.960 0.000 0.000 0.216 210 G C 1.524 176.438 174.900 0.022 0.000 1.171 210 G CA 0.507 45.602 45.100 -0.007 0.000 0.775 210 G HN 0.484 nan 8.290 nan 0.000 0.543 211 I N 1.489 122.076 120.570 0.030 0.000 2.163 211 I HA -0.197 3.973 4.170 0.000 0.000 0.243 211 I C 3.287 179.457 176.117 0.088 0.000 1.085 211 I CA 1.106 62.439 61.300 0.054 0.000 1.347 211 I CB -0.220 37.808 38.000 0.048 0.000 1.044 211 I HN 0.240 nan 8.210 nan 0.000 0.408 212 A N 0.597 123.473 122.820 0.093 0.000 1.933 212 A HA -0.201 4.119 4.320 0.000 0.000 0.218 212 A C 2.263 179.956 177.584 0.182 0.000 1.175 212 A CA 1.492 53.626 52.037 0.161 0.000 0.628 212 A CB -0.762 18.311 19.000 0.121 0.000 0.814 212 A HN 0.416 nan 8.150 nan 0.000 0.444 213 L N -0.121 121.171 121.223 0.115 0.000 2.046 213 L HA -0.107 4.233 4.340 0.000 0.000 0.208 213 L C 2.276 179.259 176.870 0.188 0.000 1.077 213 L CA 1.955 56.870 54.840 0.125 0.000 0.747 213 L CB -0.449 41.653 42.059 0.072 0.000 0.896 213 L HN 0.129 nan 8.230 nan 0.000 0.432 214 V N 0.247 120.270 119.914 0.181 0.000 2.427 214 V HA -0.214 3.906 4.120 0.000 0.000 0.248 214 V C 2.370 178.589 176.094 0.207 0.000 1.051 214 V CA 1.660 64.105 62.300 0.242 0.000 1.048 214 V CB -0.931 30.999 31.823 0.179 0.000 0.666 214 V HN 0.507 nan 8.190 nan 0.000 0.456 215 N N 0.869 119.664 118.700 0.158 0.000 2.120 215 N HA -0.125 4.615 4.740 0.000 0.000 0.188 215 N C 1.927 177.487 175.510 0.085 0.000 1.024 215 N CA 1.705 54.823 53.050 0.113 0.000 0.852 215 N CB -0.569 37.966 38.487 0.080 0.000 1.003 215 N HN 0.477 nan 8.380 nan 0.000 0.424 216 A N 0.373 123.269 122.820 0.125 0.000 1.908 216 A HA -0.220 4.100 4.320 0.000 0.000 0.218 216 A C 2.122 179.727 177.584 0.035 0.000 1.181 216 A CA 1.908 54.002 52.037 0.096 0.000 0.627 216 A CB -0.968 18.152 19.000 0.200 0.000 0.818 216 A HN 0.454 nan 8.150 nan 0.000 0.445 217 H N -0.201 118.843 119.070 -0.045 0.000 2.321 217 H HA 0.037 4.593 4.556 0.000 0.000 0.300 217 H C 2.237 177.484 175.328 -0.135 0.000 1.087 217 H CA 2.040 57.974 56.048 -0.190 0.000 1.319 217 H CB -0.273 29.241 29.762 -0.412 0.000 1.379 217 H HN 0.395 nan 8.280 nan 0.000 0.501 218 A N -0.318 122.529 122.820 0.046 0.000 1.902 218 A HA -0.194 4.126 4.320 0.000 0.000 0.217 218 A C 2.729 180.302 177.584 -0.018 0.000 1.181 218 A CA 1.538 53.609 52.037 0.056 0.000 0.623 218 A CB -1.252 17.815 19.000 0.113 0.000 0.818 218 A HN 0.654 nan 8.150 nan 0.000 0.443 219 C N -1.286 118.021 119.300 0.012 0.000 2.422 219 C HA -0.046 4.414 4.460 0.000 0.000 0.279 219 C C 2.790 177.763 174.990 -0.029 0.000 1.305 219 C CA 1.170 60.238 59.018 0.084 0.000 1.757 219 C CB -1.370 26.449 27.740 0.132 0.000 1.962 219 C HN 0.726 nan 8.230 nan 0.000 0.499 220 R N -0.170 120.210 120.500 -0.200 0.000 2.066 220 R HA -0.123 4.217 4.340 0.000 0.000 0.232 220 R C 2.250 178.343 176.300 -0.345 0.000 1.131 220 R CA 1.515 57.414 56.100 -0.334 0.000 0.955 220 R CB -0.399 29.598 30.300 -0.505 0.000 0.851 220 R HN 0.603 nan 8.270 nan 0.000 0.432 221 H N 0.625 119.564 119.070 -0.219 0.000 2.326 221 H HA -0.084 4.472 4.556 0.000 0.000 0.301 221 H C 2.206 177.518 175.328 -0.027 0.000 1.081 221 H CA 1.632 57.599 56.048 -0.136 0.000 1.334 221 H CB -0.263 29.425 29.762 -0.123 0.000 1.385 221 H HN 0.235 nan 8.280 nan 0.000 0.504 222 L N -0.102 121.089 121.223 -0.052 0.000 2.079 222 L HA -0.103 4.237 4.340 0.000 0.000 0.210 222 L C 2.746 179.462 176.870 -0.257 0.000 1.081 222 L CA 1.113 55.732 54.840 -0.368 0.000 0.752 222 L CB -0.836 40.584 42.059 -1.064 0.000 0.896 222 L HN 0.306 nan 8.230 nan 0.000 0.433 223 G N -0.099 108.682 108.800 -0.032 0.000 2.422 223 G HA2 -0.248 3.712 3.960 0.000 0.000 0.218 223 G HA3 -0.248 3.712 3.960 0.000 0.000 0.218 223 G C 1.403 176.388 174.900 0.141 0.000 1.146 223 G CA 0.517 45.774 45.100 0.262 0.000 0.769 223 G HN 0.315 nan 8.290 nan 0.000 0.547 224 N N 0.061 118.739 118.700 -0.037 0.000 2.188 224 N HA -0.081 4.659 4.740 0.000 0.000 0.184 224 N C 1.832 177.258 175.510 -0.141 0.000 1.018 224 N CA 0.816 53.790 53.050 -0.127 0.000 0.858 224 N CB -0.315 38.038 38.487 -0.224 0.000 0.989 224 N HN 0.581 nan 8.380 nan 0.000 0.426 225 W N 1.587 122.842 121.300 -0.076 0.000 2.409 225 W HA 0.076 4.736 4.660 0.000 0.000 0.299 225 W C 2.502 178.997 176.519 -0.039 0.000 1.203 225 W CA 1.098 58.396 57.345 -0.080 0.000 1.298 225 W CB -0.425 28.944 29.460 -0.153 0.000 1.127 225 W HN 0.019 nan 8.180 nan 0.000 0.528 226 A N -0.102 122.844 122.820 0.210 0.000 1.908 226 A HA -0.192 4.129 4.320 0.000 0.000 0.218 226 A C 1.993 179.667 177.584 0.150 0.000 1.181 226 A CA 2.209 54.380 52.037 0.224 0.000 0.627 226 A CB -1.120 18.105 19.000 0.375 0.000 0.818 226 A HN 0.102 nan 8.150 nan 0.000 0.445 227 V N -0.370 119.619 119.914 0.125 0.000 2.307 227 V HA -0.202 3.918 4.120 0.000 0.000 0.245 227 V C 3.063 179.145 176.094 -0.020 0.000 1.045 227 V CA 1.905 64.222 62.300 0.029 0.000 1.024 227 V CB -1.171 30.675 31.823 0.039 0.000 0.651 227 V HN 0.614 nan 8.190 nan 0.000 0.449 228 A N -0.378 122.423 122.820 -0.032 0.000 1.933 228 A HA -0.130 4.190 4.320 0.000 0.000 0.218 228 A C 2.181 179.789 177.584 0.040 0.000 1.175 228 A CA 1.679 53.687 52.037 -0.047 0.000 0.628 228 A CB -0.479 18.412 19.000 -0.181 0.000 0.814 228 A HN 0.518 nan 8.150 nan 0.000 0.444 229 L N -1.167 120.119 121.223 0.104 0.000 2.179 229 L HA -0.091 4.249 4.340 0.000 0.000 0.208 229 L C 2.658 179.593 176.870 0.108 0.000 1.096 229 L CA 1.470 56.387 54.840 0.128 0.000 0.779 229 L CB -0.825 41.332 42.059 0.163 0.000 0.922 229 L HN 0.299 nan 8.230 nan 0.000 0.443 230 T N 0.162 114.772 114.554 0.093 0.000 2.788 230 T HA -0.136 4.214 4.350 0.000 0.000 0.268 230 T C 2.040 176.852 174.700 0.186 0.000 1.044 230 T CA 1.329 63.496 62.100 0.112 0.000 1.139 230 T CB -0.119 68.768 68.868 0.031 0.000 0.867 230 T HN 0.429 nan 8.240 nan 0.000 0.454 231 A N 1.158 124.053 122.820 0.124 0.000 1.898 231 A HA 0.017 4.337 4.320 0.000 0.000 0.216 231 A C 2.196 179.898 177.584 0.198 0.000 1.181 231 A CA 1.104 53.275 52.037 0.225 0.000 0.620 231 A CB -0.748 18.317 19.000 0.108 0.000 0.819 231 A HN 0.392 nan 8.150 nan 0.000 0.442 232 L N -0.743 120.556 121.223 0.126 0.000 2.141 232 L HA -0.070 4.270 4.340 0.000 0.000 0.209 232 L C 2.210 179.138 176.870 0.097 0.000 1.094 232 L CA 1.707 56.606 54.840 0.098 0.000 0.763 232 L CB -0.650 41.458 42.059 0.081 0.000 0.908 232 L HN 0.389 nan 8.230 nan 0.000 0.437 233 L N -0.218 121.073 121.223 0.114 0.000 2.042 233 L HA -0.123 4.217 4.340 0.000 0.000 0.210 233 L C 2.487 179.418 176.870 0.101 0.000 1.076 233 L CA 2.077 56.976 54.840 0.098 0.000 0.749 233 L CB -0.980 41.147 42.059 0.113 0.000 0.893 233 L HN 0.250 nan 8.230 nan 0.000 0.432 234 A N -0.780 122.134 122.820 0.156 0.000 1.933 234 A HA -0.218 4.103 4.320 0.000 0.000 0.218 234 A C 2.129 179.739 177.584 0.043 0.000 1.175 234 A CA 1.827 53.920 52.037 0.092 0.000 0.628 234 A CB -0.628 18.443 19.000 0.119 0.000 0.814 234 A HN 0.648 nan 8.150 nan 0.000 0.444 235 E N -1.108 119.133 120.200 0.068 0.000 2.274 235 E HA -0.119 4.231 4.350 0.000 0.000 0.194 235 E C 1.651 178.268 176.600 0.029 0.000 0.996 235 E CA 0.933 57.359 56.400 0.043 0.000 0.840 235 E CB -0.252 29.480 29.700 0.054 0.000 0.772 235 E HN 0.681 nan 8.360 nan 0.000 0.491 236 C N 0.036 119.355 119.300 0.032 0.000 2.634 236 C HA 0.153 4.613 4.460 0.000 0.000 0.268 236 C C 1.696 176.692 174.990 0.009 0.000 1.322 236 C CA 0.035 59.064 59.018 0.018 0.000 1.737 236 C CB -0.214 27.536 27.740 0.016 0.000 1.976 236 C HN 0.312 nan 8.230 nan 0.000 0.547 237 L N -0.054 121.174 121.223 0.010 0.000 3.202 237 L HA 0.283 4.623 4.340 0.000 0.000 0.278 237 L C 0.235 177.098 176.870 -0.012 0.000 1.268 237 L CA -0.113 54.727 54.840 -0.001 0.000 1.034 237 L CB -0.301 41.761 42.059 0.006 0.000 1.407 237 L HN 0.226 nan 8.230 nan 0.000 0.581 238 R N 0.511 121.003 120.500 -0.014 0.000 3.322 238 R HA -0.159 4.181 4.340 0.000 0.000 0.253 238 R C 0.700 176.967 176.300 -0.054 0.000 0.987 238 R CA 0.429 56.513 56.100 -0.027 0.000 0.666 238 R CB -1.959 28.328 30.300 -0.021 0.000 1.072 238 R HN 0.506 nan 8.270 nan 0.000 0.447 239 G N 0.692 109.445 108.800 -0.077 0.000 2.544 239 G HA2 0.192 4.152 3.960 0.000 0.000 0.242 239 G HA3 0.192 4.152 3.960 0.000 0.000 0.242 239 G C 0.002 174.761 174.900 -0.236 0.000 1.247 239 G CA -0.594 44.414 45.100 -0.154 0.000 0.840 239 G HN 0.255 nan 8.290 nan 0.000 0.578 240 R N 0.643 120.971 120.500 -0.286 0.000 2.202 240 R HA 0.232 4.572 4.340 0.000 0.000 0.334 240 R C 1.593 177.589 176.300 -0.506 0.000 1.036 240 R CA 0.192 56.121 56.100 -0.285 0.000 0.878 240 R CB 0.898 31.090 30.300 -0.180 0.000 1.067 240 R HN 0.712 nan 8.270 nan 0.000 0.457 241 T N -1.128 113.176 114.554 -0.417 0.000 3.035 241 T HA -0.143 4.207 4.350 0.000 0.000 0.268 241 T C 1.449 176.000 174.700 -0.248 0.000 1.109 241 T CA 0.945 62.779 62.100 -0.444 0.000 1.119 241 T CB -0.033 68.724 68.868 -0.185 0.000 0.900 241 T HN 0.741 nan 8.240 nan 0.000 0.503 242 E N 1.892 121.988 120.200 -0.173 0.000 2.204 242 E HA -0.055 4.295 4.350 0.000 0.000 0.195 242 E C 2.219 178.790 176.600 -0.048 0.000 0.990 242 E CA 0.970 57.324 56.400 -0.076 0.000 0.821 242 E CB -0.584 29.085 29.700 -0.051 0.000 0.750 242 E HN 0.616 nan 8.360 nan 0.000 0.477 243 A N 0.734 123.477 122.820 -0.127 0.000 2.121 243 A HA -0.087 4.234 4.320 0.000 0.000 0.218 243 A C 0.975 178.695 177.584 0.227 0.000 1.154 243 A CA 0.691 52.720 52.037 -0.012 0.000 0.679 243 A CB -0.595 18.361 19.000 -0.073 0.000 0.795 243 A HN 0.500 nan 8.150 nan 0.000 0.458 244 W N -0.265 121.036 121.300 0.002 0.000 3.223 244 W HA 0.605 5.265 4.660 0.000 0.000 0.389 244 W C 0.789 177.310 176.519 0.004 0.000 1.118 244 W CA -1.105 56.243 57.345 0.004 0.000 1.902 244 W CB -1.344 28.121 29.460 0.009 0.000 1.094 244 W HN 0.343 nan 8.180 nan 0.000 0.666 245 A N 0.834 123.764 122.820 0.184 0.000 2.498 245 A HA 0.437 4.757 4.320 0.000 0.000 0.239 245 A C 1.682 179.319 177.584 0.089 0.000 1.068 245 A CA 0.692 52.794 52.037 0.107 0.000 0.766 245 A CB 0.591 19.627 19.000 0.060 0.000 1.003 245 A HN 0.257 nan 8.150 nan 0.000 0.497 246 A N 2.596 125.457 122.820 0.067 0.000 1.940 246 A HA 0.100 4.420 4.320 0.000 0.000 0.219 246 A C 2.388 179.994 177.584 0.036 0.000 1.176 246 A CA 2.324 54.390 52.037 0.049 0.000 0.631 246 A CB -1.013 18.009 19.000 0.037 0.000 0.814 246 A HN 1.778 nan 8.150 nan 0.000 0.446 247 A N -0.285 122.554 122.820 0.032 0.000 1.948 247 A HA -0.119 4.201 4.320 0.000 0.000 0.220 247 A C 2.159 179.756 177.584 0.022 0.000 1.177 247 A CA 1.607 53.657 52.037 0.021 0.000 0.636 247 A CB -0.581 18.430 19.000 0.018 0.000 0.815 247 A HN 0.499 nan 8.150 nan 0.000 0.449 248 L N -0.565 120.678 121.223 0.033 0.000 2.093 248 L HA -0.147 4.193 4.340 0.000 0.000 0.208 248 L C 2.827 179.714 176.870 0.028 0.000 1.085 248 L CA 1.379 56.238 54.840 0.032 0.000 0.755 248 L CB -0.348 41.739 42.059 0.048 0.000 0.904 248 L HN 0.361 nan 8.230 nan 0.000 0.435 249 S N -0.338 115.382 115.700 0.034 0.000 2.368 249 S HA -0.176 4.294 4.470 0.000 0.000 0.225 249 S C 1.474 176.079 174.600 0.009 0.000 1.030 249 S CA 1.292 59.509 58.200 0.028 0.000 0.999 249 S CB -0.281 62.939 63.200 0.034 0.000 0.844 249 S HN 0.447 nan 8.310 nan 0.000 0.459 250 D N 1.569 121.973 120.400 0.007 0.000 2.182 250 D HA -0.040 4.600 4.640 0.000 0.000 0.201 250 D C 1.726 178.015 176.300 -0.017 0.000 0.986 250 D CA 0.712 54.709 54.000 -0.005 0.000 0.847 250 D CB -0.309 40.490 40.800 -0.001 0.000 0.942 250 D HN 0.333 nan 8.370 nan 0.000 0.467 251 L N -0.577 120.639 121.223 -0.012 0.000 2.291 251 L HA 0.008 4.348 4.340 0.000 0.000 0.214 251 L C 1.577 178.426 176.870 -0.037 0.000 1.120 251 L CA 0.548 55.376 54.840 -0.019 0.000 0.799 251 L CB 0.128 42.182 42.059 -0.008 0.000 0.925 251 L HN -0.159 nan 8.230 nan 0.000 0.446 252 R N 0.712 121.188 120.500 -0.041 0.000 2.644 252 R HA 0.186 4.526 4.340 0.000 0.000 0.271 252 R C -2.183 174.047 176.300 -0.116 0.000 1.687 252 R CA -1.348 54.704 56.100 -0.079 0.000 1.655 252 R CB 0.862 31.158 30.300 -0.006 0.000 1.285 252 R HN -0.142 nan 8.270 nan 0.000 0.643 253 P HA -0.097 nan 4.420 nan 0.000 0.311 253 P C -0.657 176.566 177.300 -0.129 0.000 1.543 253 P CA 0.309 63.340 63.100 -0.116 0.000 0.766 253 P CB -0.370 31.275 31.700 -0.092 0.000 1.711 254 H N 0.760 119.830 119.070 0.000 0.000 2.848 254 H HA 0.085 4.641 4.556 0.000 0.000 0.317 254 H C -1.311 174.028 175.328 0.019 0.000 1.046 254 H CA -1.465 54.585 56.048 0.005 0.000 1.470 254 H CB 0.482 30.241 29.762 -0.004 0.000 1.483 254 H HN 0.089 nan 8.280 nan 0.000 0.548 255 P HA -0.159 nan 4.420 nan 0.000 0.215 255 P C 1.658 179.032 177.300 0.124 0.000 1.157 255 P CA 1.703 64.865 63.100 0.103 0.000 0.874 255 P CB 0.091 31.846 31.700 0.091 0.000 0.790 256 G N -0.491 108.401 108.800 0.154 0.000 2.432 256 G HA2 -0.300 3.660 3.960 0.000 0.000 0.219 256 G HA3 -0.300 3.660 3.960 0.000 0.000 0.219 256 G C 1.672 176.670 174.900 0.163 0.000 1.135 256 G CA 0.696 45.920 45.100 0.207 0.000 0.767 256 G HN 0.329 nan 8.290 nan 0.000 0.550 257 Q N 0.112 119.974 119.800 0.104 0.000 2.049 257 Q HA -0.054 4.286 4.340 0.000 0.000 0.198 257 Q C 2.470 178.503 176.000 0.055 0.000 0.971 257 Q CA 1.499 57.334 55.803 0.053 0.000 0.833 257 Q CB -0.206 28.581 28.738 0.081 0.000 0.896 257 Q HN 0.501 nan 8.270 nan 0.000 0.434 258 K N 0.207 120.649 120.400 0.071 0.000 2.063 258 K HA -0.239 4.081 4.320 0.000 0.000 0.208 258 K C 1.679 178.310 176.600 0.051 0.000 1.048 258 K CA 1.938 58.256 56.287 0.051 0.000 0.928 258 K CB -0.202 32.325 32.500 0.045 0.000 0.713 258 K HN 0.200 nan 8.250 nan 0.000 0.442 259 D N -0.147 120.299 120.400 0.077 0.000 2.117 259 D HA -0.114 4.526 4.640 0.000 0.000 0.197 259 D C 1.714 178.074 176.300 0.099 0.000 0.987 259 D CA 1.538 55.585 54.000 0.078 0.000 0.829 259 D CB -0.070 40.786 40.800 0.093 0.000 0.961 259 D HN 0.340 nan 8.370 nan 0.000 0.460 260 A N 0.564 123.479 122.820 0.158 0.000 1.877 260 A HA 0.005 4.325 4.320 0.000 0.000 0.216 260 A C 2.407 179.949 177.584 -0.070 0.000 1.186 260 A CA 2.400 54.506 52.037 0.115 0.000 0.620 260 A CB -1.207 17.773 19.000 -0.032 0.000 0.822 260 A HN 0.329 nan 8.150 nan 0.000 0.443 261 A N -0.235 122.538 122.820 -0.077 0.000 1.902 261 A HA 0.150 4.470 4.320 0.000 0.000 0.217 261 A C 2.509 180.065 177.584 -0.046 0.000 1.181 261 A CA 2.173 54.148 52.037 -0.104 0.000 0.623 261 A CB -1.022 17.977 19.000 -0.001 0.000 0.818 261 A HN 1.081 nan 8.150 nan 0.000 0.443 262 A N -0.204 122.611 122.820 -0.007 0.000 1.902 262 A HA -0.163 4.157 4.320 0.000 0.000 0.217 262 A C 2.238 179.815 177.584 -0.012 0.000 1.181 262 A CA 1.646 53.687 52.037 0.006 0.000 0.623 262 A CB -0.433 18.573 19.000 0.011 0.000 0.818 262 A HN 0.541 nan 8.150 nan 0.000 0.443 263 R N -0.624 119.857 120.500 -0.032 0.000 2.092 263 R HA 0.047 4.387 4.340 0.000 0.000 0.231 263 R C 2.030 178.281 176.300 -0.081 0.000 1.119 263 R CA 1.192 57.263 56.100 -0.048 0.000 0.970 263 R CB -0.428 29.849 30.300 -0.037 0.000 0.864 263 R HN 0.503 nan 8.270 nan 0.000 0.440 264 L N 0.162 121.283 121.223 -0.170 0.000 2.017 264 L HA -0.166 4.174 4.340 0.000 0.000 0.208 264 L C 2.523 179.381 176.870 -0.020 0.000 1.073 264 L CA 1.425 56.078 54.840 -0.312 0.000 0.745 264 L CB -0.325 41.178 42.059 -0.928 0.000 0.894 264 L HN 0.156 nan 8.230 nan 0.000 0.432 265 R N -0.172 120.374 120.500 0.078 0.000 2.081 265 R HA -0.147 4.193 4.340 0.000 0.000 0.235 265 R C 2.392 178.754 176.300 0.103 0.000 1.131 265 R CA 1.343 57.550 56.100 0.178 0.000 0.960 265 R CB -0.516 29.867 30.300 0.139 0.000 0.856 265 R HN 0.359 nan 8.270 nan 0.000 0.436 266 A N 1.348 124.195 122.820 0.046 0.000 1.902 266 A HA -0.147 4.173 4.320 0.000 0.000 0.217 266 A C 2.050 179.649 177.584 0.025 0.000 1.181 266 A CA 1.095 53.147 52.037 0.024 0.000 0.623 266 A CB -0.265 18.734 19.000 -0.002 0.000 0.818 266 A HN 0.105 nan 8.150 nan 0.000 0.443 267 R N -0.200 120.312 120.500 0.020 0.000 2.096 267 R HA -0.111 4.229 4.340 0.000 0.000 0.235 267 R C 1.905 178.242 176.300 0.062 0.000 1.127 267 R CA 1.734 57.847 56.100 0.021 0.000 0.968 267 R CB -1.301 29.001 30.300 0.004 0.000 0.861 267 R HN 0.674 nan 8.270 nan 0.000 0.440 268 V N -0.865 119.119 119.914 0.116 0.000 3.633 268 V HA 0.111 4.231 4.120 0.000 0.000 0.283 268 V C 0.198 176.339 176.094 0.078 0.000 1.305 268 V CA -0.582 61.790 62.300 0.120 0.000 1.153 268 V CB -0.538 31.401 31.823 0.193 0.000 0.950 268 V HN -0.088 nan 8.190 nan 0.000 0.432 269 D N 1.479 121.916 120.400 0.061 0.000 2.493 269 D HA 0.407 5.047 4.640 0.000 0.000 0.240 269 D C 1.466 177.782 176.300 0.028 0.000 1.142 269 D CA 1.951 55.975 54.000 0.039 0.000 0.872 269 D CB 0.540 41.357 40.800 0.029 0.000 1.173 269 D HN 0.573 nan 8.370 nan 0.000 0.467 270 G N 2.398 111.210 108.800 0.020 0.000 2.176 270 G HA2 -0.269 3.691 3.960 0.000 0.000 0.253 270 G HA3 -0.269 3.691 3.960 0.000 0.000 0.253 270 G C 0.472 175.382 174.900 0.017 0.000 0.979 270 G CA 0.354 45.463 45.100 0.015 0.000 0.641 270 G HN 0.783 nan 8.290 nan 0.000 0.530 271 S N 0.178 115.892 115.700 0.022 0.000 2.548 271 S HA 0.650 5.120 4.470 0.000 0.000 0.277 271 S C 1.213 175.821 174.600 0.014 0.000 1.315 271 S CA 0.834 59.048 58.200 0.023 0.000 1.050 271 S CB 1.260 64.481 63.200 0.034 0.000 0.918 271 S HN 1.601 nan 8.310 nan 0.000 0.497 272 A N 5.345 128.174 122.820 0.015 0.000 2.503 272 A HA 0.341 4.661 4.320 0.000 0.000 0.263 272 A C 1.648 179.242 177.584 0.015 0.000 1.258 272 A CA -0.354 51.691 52.037 0.014 0.000 0.936 272 A CB 0.079 19.088 19.000 0.014 0.000 1.070 272 A HN 0.725 nan 8.150 nan 0.000 0.522 273 R N -0.233 120.276 120.500 0.014 0.000 2.308 273 R HA 0.124 4.464 4.340 0.000 0.000 0.202 273 R C 0.685 176.987 176.300 0.003 0.000 0.898 273 R CA 0.843 56.950 56.100 0.012 0.000 1.046 273 R CB -0.224 30.086 30.300 0.016 0.000 1.026 273 R HN 0.485 nan 8.270 nan 0.000 0.512 274 V N -1.264 118.647 119.914 -0.004 0.000 2.973 274 V HA 0.464 4.584 4.120 0.000 0.000 0.314 274 V C 0.503 176.583 176.094 -0.024 0.000 1.066 274 V CA -0.953 61.326 62.300 -0.034 0.000 1.021 274 V CB 2.014 33.802 31.823 -0.058 0.000 1.076 274 V HN -0.267 nan 8.190 nan 0.000 0.462 275 V N 3.816 123.705 119.914 -0.041 0.000 2.364 275 V HA 0.437 4.557 4.120 0.000 0.000 0.272 275 V C 1.026 177.109 176.094 -0.018 0.000 1.036 275 V CA -0.241 62.072 62.300 0.022 0.000 0.880 275 V CB 0.688 32.520 31.823 0.014 0.000 0.991 275 V HN 0.934 nan 8.190 nan 0.000 0.460 276 R N 1.815 122.298 120.500 -0.029 0.000 2.397 276 R HA 0.197 4.537 4.340 0.000 0.000 0.241 276 R C -0.374 175.810 176.300 -0.192 0.000 0.914 276 R CA -0.213 55.801 56.100 -0.143 0.000 1.071 276 R CB 0.208 30.392 30.300 -0.194 0.000 1.116 276 R HN 0.748 nan 8.270 nan 0.000 0.524 277 H N 0.231 119.275 119.070 -0.043 0.000 2.742 277 H HA 0.117 4.674 4.556 0.000 0.000 0.302 277 H C -0.131 175.176 175.328 -0.036 0.000 1.069 277 H CA -0.367 55.662 56.048 -0.033 0.000 1.446 277 H CB 0.898 30.643 29.762 -0.028 0.000 1.462 277 H HN -0.213 nan 8.280 nan 0.000 0.499 278 V N 5.959 125.906 119.914 0.055 0.000 2.485 278 V HA -0.093 4.027 4.120 0.000 0.000 0.287 278 V C 1.959 178.077 176.094 0.041 0.000 1.022 278 V CA 0.300 62.617 62.300 0.027 0.000 1.067 278 V CB -0.475 31.354 31.823 0.011 0.000 0.967 278 V HN 0.861 nan 8.190 nan 0.000 0.479 279 I N 3.291 123.876 120.570 0.025 0.000 2.361 279 I HA -0.109 4.061 4.170 0.000 0.000 0.251 279 I C 2.083 178.208 176.117 0.012 0.000 1.133 279 I CA 1.845 63.155 61.300 0.017 0.000 1.413 279 I CB -0.306 37.696 38.000 0.004 0.000 1.073 279 I HN 0.569 nan 8.210 nan 0.000 0.424 280 A N 1.084 123.910 122.820 0.011 0.000 2.216 280 A HA -0.097 4.223 4.320 0.000 0.000 0.214 280 A C 2.092 179.683 177.584 0.010 0.000 1.160 280 A CA 1.138 53.179 52.037 0.008 0.000 0.725 280 A CB -0.706 18.298 19.000 0.007 0.000 0.784 280 A HN 0.642 nan 8.150 nan 0.000 0.472 281 E N -0.409 119.801 120.200 0.017 0.000 2.358 281 E HA -0.070 4.280 4.350 0.000 0.000 0.195 281 E C 1.142 177.751 176.600 0.015 0.000 1.010 281 E CA -0.066 56.345 56.400 0.019 0.000 0.856 281 E CB 0.002 29.721 29.700 0.031 0.000 0.795 281 E HN 0.515 nan 8.360 nan 0.000 0.504 282 R N 1.818 122.325 120.500 0.011 0.000 2.389 282 R HA 0.129 4.469 4.340 0.000 0.000 0.295 282 R C -0.578 175.722 176.300 0.000 0.000 1.075 282 R CA -0.126 55.975 56.100 0.003 0.000 1.005 282 R CB 0.499 30.796 30.300 -0.005 0.000 0.987 282 R HN -0.088 nan 8.270 nan 0.000 0.452 283 R N 5.269 125.769 120.500 -0.001 0.000 2.229 283 R HA 0.286 4.626 4.340 0.000 0.000 0.332 283 R C -0.484 175.814 176.300 -0.004 0.000 0.989 283 R CA -0.562 55.537 56.100 -0.001 0.000 0.842 283 R CB 1.140 31.440 30.300 -0.000 0.000 1.119 283 R HN 0.459 nan 8.270 nan 0.000 0.456 284 L N 3.042 124.263 121.223 -0.004 0.000 2.375 284 L HA 0.299 4.639 4.340 0.000 0.000 0.271 284 L C 0.273 177.140 176.870 -0.005 0.000 1.107 284 L CA -0.437 54.400 54.840 -0.006 0.000 0.806 284 L CB 0.718 42.774 42.059 -0.006 0.000 1.146 284 L HN 0.664 nan 8.230 nan 0.000 0.447 285 D N 1.050 121.446 120.400 -0.006 0.000 2.585 285 D HA 0.436 5.076 4.640 0.000 0.000 0.254 285 D C 0.592 176.889 176.300 -0.005 0.000 1.067 285 D CA -0.355 53.642 54.000 -0.005 0.000 1.090 285 D CB 1.214 42.011 40.800 -0.005 0.000 1.408 285 D HN 0.405 nan 8.370 nan 0.000 0.554 286 A N -0.234 122.583 122.820 -0.004 0.000 1.948 286 A HA 0.028 4.348 4.320 0.000 0.000 0.220 286 A C 2.009 179.590 177.584 -0.005 0.000 1.177 286 A CA 2.121 54.155 52.037 -0.004 0.000 0.636 286 A CB -1.602 17.395 19.000 -0.004 0.000 0.815 286 A HN 0.692 nan 8.150 nan 0.000 0.449 287 G N -1.091 107.705 108.800 -0.006 0.000 2.598 287 G HA2 -0.081 3.879 3.960 0.000 0.000 0.215 287 G HA3 -0.081 3.879 3.960 0.000 0.000 0.215 287 G C 0.887 175.782 174.900 -0.008 0.000 1.131 287 G CA 0.941 46.037 45.100 -0.007 0.000 0.785 287 G HN 0.508 nan 8.290 nan 0.000 0.539 288 D N 0.242 120.637 120.400 -0.008 0.000 2.346 288 D HA 0.034 4.674 4.640 0.000 0.000 0.206 288 D C 0.843 177.137 176.300 -0.009 0.000 1.001 288 D CA -0.072 53.922 54.000 -0.010 0.000 0.871 288 D CB 0.519 41.312 40.800 -0.011 0.000 0.943 288 D HN 0.129 nan 8.370 nan 0.000 0.518 289 I N 1.642 122.208 120.570 -0.007 0.000 2.581 289 I HA 0.307 4.477 4.170 0.000 0.000 0.285 289 I C 1.313 177.426 176.117 -0.007 0.000 1.129 289 I CA 0.650 61.946 61.300 -0.006 0.000 1.397 289 I CB 0.070 38.067 38.000 -0.005 0.000 1.399 289 I HN -0.040 nan 8.210 nan 0.000 0.537 290 G N 5.383 114.179 108.800 -0.007 0.000 2.360 290 G HA2 0.205 4.165 3.960 0.000 0.000 0.276 290 G HA3 0.205 4.165 3.960 0.000 0.000 0.276 290 G C -1.207 173.688 174.900 -0.008 0.000 1.256 290 G CA -0.619 44.477 45.100 -0.007 0.000 0.890 290 G HN 0.351 nan 8.290 nan 0.000 0.486 291 T N 1.880 116.429 114.554 -0.009 0.000 2.749 291 T HA 0.566 4.916 4.350 0.000 0.000 0.287 291 T C -0.258 174.435 174.700 -0.011 0.000 0.970 291 T CA -0.249 61.846 62.100 -0.009 0.000 0.980 291 T CB 1.349 70.212 68.868 -0.009 0.000 0.924 291 T HN 0.432 nan 8.240 nan 0.000 0.456 292 E N 3.166 123.359 120.200 -0.012 0.000 2.250 292 E HA 0.218 4.568 4.350 0.000 0.000 0.269 292 E C -1.370 175.221 176.600 -0.015 0.000 1.018 292 E CA -2.078 54.313 56.400 -0.015 0.000 0.873 292 E CB 0.864 30.553 29.700 -0.017 0.000 1.134 292 E HN 0.322 nan 8.360 nan 0.000 0.403 293 P HA -0.165 nan 4.420 nan 0.000 0.216 293 P C -0.581 176.709 177.300 -0.017 0.000 1.153 293 P CA 1.496 64.586 63.100 -0.017 0.000 0.858 293 P CB 0.292 31.981 31.700 -0.018 0.000 0.789 294 E N -1.856 118.333 120.200 -0.018 0.000 2.393 294 E HA 0.608 4.958 4.350 0.000 0.000 0.273 294 E C -0.952 175.639 176.600 -0.016 0.000 0.918 294 E CA -1.148 55.242 56.400 -0.018 0.000 0.773 294 E CB 1.887 31.575 29.700 -0.020 0.000 1.275 294 E HN -0.092 nan 8.360 nan 0.000 0.451 295 A N 0.557 123.369 122.820 -0.013 0.000 2.346 295 A HA 0.430 4.750 4.320 0.000 0.000 0.252 295 A C 1.174 178.753 177.584 -0.009 0.000 1.089 295 A CA 0.344 52.376 52.037 -0.008 0.000 0.797 295 A CB 0.037 19.035 19.000 -0.003 0.000 1.047 295 A HN 0.788 nan 8.150 nan 0.000 0.494 296 G N -0.660 108.137 108.800 -0.006 0.000 2.848 296 G HA2 0.283 4.243 3.960 0.000 0.000 0.208 296 G HA3 0.283 4.243 3.960 0.000 0.000 0.208 296 G C 0.436 175.331 174.900 -0.007 0.000 1.152 296 G CA 0.319 45.413 45.100 -0.009 0.000 0.789 296 G HN 0.709 nan 8.290 nan 0.000 0.531 297 Q N 0.156 119.957 119.800 0.002 0.000 2.397 297 Q HA 0.302 4.642 4.340 0.000 0.000 0.275 297 Q C -1.447 174.563 176.000 0.018 0.000 1.090 297 Q CA -1.023 54.786 55.803 0.009 0.000 0.809 297 Q CB 2.100 30.860 28.738 0.036 0.000 1.362 297 Q HN 0.027 nan 8.270 nan 0.000 0.431 298 D N 0.720 121.129 120.400 0.015 0.000 2.377 298 D HA 0.365 5.005 4.640 0.000 0.000 0.245 298 D C -0.134 176.222 176.300 0.093 0.000 1.196 298 D CA -0.076 53.942 54.000 0.029 0.000 0.962 298 D CB 0.839 41.641 40.800 0.005 0.000 1.127 298 D HN 0.624 nan 8.370 nan 0.000 0.471 299 A N 0.396 123.264 122.820 0.080 0.000 2.386 299 A HA 0.015 4.335 4.320 0.000 0.000 0.246 299 A C 0.643 178.377 177.584 0.251 0.000 1.089 299 A CA -0.082 52.012 52.037 0.094 0.000 0.790 299 A CB -0.086 18.929 19.000 0.025 0.000 1.042 299 A HN 0.539 nan 8.150 nan 0.000 0.497 300 Y N 0.849 121.166 120.300 0.029 0.000 2.256 300 Y HA -0.195 4.355 4.550 0.000 0.000 0.288 300 Y C 2.926 178.861 175.900 0.057 0.000 1.155 300 Y CA 1.585 59.709 58.100 0.040 0.000 1.203 300 Y CB -1.327 37.148 38.460 0.024 0.000 0.980 300 Y HN 0.734 nan 8.280 nan 0.000 0.530 301 S N -0.963 114.866 115.700 0.215 0.000 2.493 301 S HA -0.118 4.352 4.470 0.000 0.000 0.243 301 S C 1.783 176.488 174.600 0.176 0.000 0.991 301 S CA 1.168 59.460 58.200 0.154 0.000 0.957 301 S CB -0.558 62.708 63.200 0.110 0.000 0.756 301 S HN 0.456 nan 8.310 nan 0.000 0.521 302 L N -0.316 121.031 121.223 0.206 0.000 2.614 302 L HA 0.354 4.694 4.340 0.000 0.000 0.185 302 L C 2.716 179.801 176.870 0.359 0.000 1.098 302 L CA 0.206 55.218 54.840 0.286 0.000 0.852 302 L CB -0.242 41.922 42.059 0.176 0.000 1.213 302 L HN 0.155 nan 8.230 nan 0.000 0.491 303 R N 0.007 120.636 120.500 0.216 0.000 2.127 303 R HA -0.146 4.194 4.340 0.000 0.000 0.238 303 R C 1.471 177.870 176.300 0.164 0.000 1.134 303 R CA 1.807 58.008 56.100 0.169 0.000 0.975 303 R CB -0.194 30.167 30.300 0.103 0.000 0.865 303 R HN 0.402 nan 8.270 nan 0.000 0.447 304 C N 0.233 119.588 119.300 0.092 0.000 2.688 304 C HA 0.443 4.903 4.460 0.000 0.000 0.297 304 C C 2.085 177.083 174.990 0.013 0.000 1.308 304 C CA -0.402 58.607 59.018 -0.014 0.000 1.726 304 C CB -0.371 27.259 27.740 -0.182 0.000 1.982 304 C HN 0.617 nan 8.230 nan 0.000 0.604 305 A N 2.672 125.544 122.820 0.087 0.000 1.908 305 A HA -0.095 4.225 4.320 0.000 0.000 0.218 305 A C 0.020 177.516 177.584 -0.147 0.000 1.181 305 A CA 1.781 53.803 52.037 -0.025 0.000 0.627 305 A CB -1.539 17.448 19.000 -0.022 0.000 0.818 305 A HN 0.417 nan 8.150 nan 0.000 0.445 306 P HA -0.154 nan 4.420 nan 0.000 0.215 306 P C 1.251 178.471 177.300 -0.134 0.000 1.153 306 P CA 1.508 64.510 63.100 -0.164 0.000 0.853 306 P CB -0.048 31.605 31.700 -0.079 0.000 0.788 307 Q N -1.029 118.714 119.800 -0.095 0.000 2.123 307 Q HA -0.067 4.273 4.340 0.000 0.000 0.199 307 Q C 2.119 178.030 176.000 -0.149 0.000 0.966 307 Q CA 1.160 56.903 55.803 -0.101 0.000 0.845 307 Q CB -1.316 27.373 28.738 -0.083 0.000 0.907 307 Q HN 0.097 nan 8.270 nan 0.000 0.439 308 V N 0.280 120.104 119.914 -0.151 0.000 2.283 308 V HA -0.191 3.929 4.120 0.000 0.000 0.243 308 V C 2.076 178.013 176.094 -0.262 0.000 1.039 308 V CA 1.410 63.610 62.300 -0.167 0.000 1.016 308 V CB -0.593 31.161 31.823 -0.115 0.000 0.650 308 V HN 0.300 nan 8.190 nan 0.000 0.449 309 L N 0.598 121.615 121.223 -0.342 0.000 2.042 309 L HA -0.109 4.231 4.340 0.000 0.000 0.210 309 L C 2.663 178.984 176.870 -0.916 0.000 1.076 309 L CA 1.795 56.240 54.840 -0.659 0.000 0.749 309 L CB -1.242 40.413 42.059 -0.673 0.000 0.893 309 L HN 0.492 nan 8.230 nan 0.000 0.432 310 G N -0.313 108.174 108.800 -0.522 0.000 2.440 310 G HA2 -0.261 3.699 3.960 0.000 0.000 0.218 310 G HA3 -0.261 3.699 3.960 0.000 0.000 0.218 310 G C 1.771 176.558 174.900 -0.188 0.000 1.154 310 G CA 0.843 45.771 45.100 -0.286 0.000 0.767 310 G HN 0.476 nan 8.290 nan 0.000 0.552 311 A N 0.758 123.449 122.820 -0.215 0.000 1.933 311 A HA 0.186 4.507 4.320 0.000 0.000 0.218 311 A C 2.677 180.193 177.584 -0.113 0.000 1.175 311 A CA 2.014 53.947 52.037 -0.173 0.000 0.628 311 A CB -0.920 17.969 19.000 -0.185 0.000 0.814 311 A HN 0.510 nan 8.150 nan 0.000 0.444 312 G N -1.030 107.666 108.800 -0.173 0.000 2.402 312 G HA2 -0.105 3.856 3.960 0.000 0.000 0.216 312 G HA3 -0.105 3.856 3.960 0.000 0.000 0.216 312 G C 1.276 176.259 174.900 0.139 0.000 1.162 312 G CA 1.022 46.072 45.100 -0.084 0.000 0.777 312 G HN 0.381 nan 8.290 nan 0.000 0.539 313 F N 1.724 121.680 119.950 0.010 0.000 2.186 313 F HA 0.041 4.568 4.527 0.000 0.000 0.299 313 F C 2.289 178.115 175.800 0.044 0.000 1.090 313 F CA 0.364 58.382 58.000 0.029 0.000 1.307 313 F CB -0.631 38.380 39.000 0.018 0.000 1.019 313 F HN 0.114 nan 8.300 nan 0.000 0.489 314 D N -0.588 119.939 120.400 0.212 0.000 2.178 314 D HA -0.098 4.542 4.640 0.000 0.000 0.202 314 D C 2.212 178.621 176.300 0.182 0.000 0.974 314 D CA 1.358 55.451 54.000 0.155 0.000 0.841 314 D CB -0.359 40.483 40.800 0.070 0.000 0.953 314 D HN 0.197 nan 8.370 nan 0.000 0.478 315 T N 1.130 115.783 114.554 0.166 0.000 2.777 315 T HA -0.107 4.243 4.350 0.000 0.000 0.266 315 T C 1.893 176.760 174.700 0.279 0.000 1.040 315 T CA 0.347 62.584 62.100 0.229 0.000 1.141 315 T CB -0.200 68.755 68.868 0.145 0.000 0.868 315 T HN 0.039 nan 8.240 nan 0.000 0.444 316 L N 1.517 122.866 121.223 0.209 0.000 2.083 316 L HA 0.098 4.438 4.340 0.000 0.000 0.209 316 L C 2.540 179.533 176.870 0.204 0.000 1.083 316 L CA 1.671 56.613 54.840 0.169 0.000 0.752 316 L CB -0.986 41.157 42.059 0.139 0.000 0.899 316 L HN 0.215 nan 8.230 nan 0.000 0.433 317 A N -1.222 121.720 122.820 0.203 0.000 1.902 317 A HA -0.270 4.050 4.320 0.000 0.000 0.217 317 A C 2.122 179.847 177.584 0.236 0.000 1.181 317 A CA 1.681 53.827 52.037 0.181 0.000 0.623 317 A CB -1.416 17.682 19.000 0.163 0.000 0.818 317 A HN 0.728 nan 8.150 nan 0.000 0.443 318 W N 0.406 121.765 121.300 0.099 0.000 2.355 318 W HA -0.185 4.475 4.660 0.000 0.000 0.309 318 W C 2.251 178.834 176.519 0.107 0.000 1.206 318 W CA 1.906 59.303 57.345 0.087 0.000 1.284 318 W CB -0.753 28.753 29.460 0.077 0.000 1.145 318 W HN 0.628 nan 8.180 nan 0.000 0.502 319 H N 0.122 119.146 119.070 -0.076 0.000 2.319 319 H HA -0.173 4.383 4.556 0.000 0.000 0.297 319 H C 1.359 176.578 175.328 -0.182 0.000 1.097 319 H CA 2.405 58.299 56.048 -0.258 0.000 1.285 319 H CB -0.517 29.201 29.762 -0.074 0.000 1.368 319 H HN 0.062 nan 8.280 nan 0.000 0.495 320 D N 0.214 120.650 120.400 0.061 0.000 2.178 320 D HA -0.068 4.572 4.640 0.000 0.000 0.202 320 D C 2.598 178.861 176.300 -0.061 0.000 0.974 320 D CA 0.551 54.560 54.000 0.014 0.000 0.841 320 D CB -0.201 40.657 40.800 0.097 0.000 0.953 320 D HN 0.384 nan 8.370 nan 0.000 0.478 321 R N 0.273 120.748 120.500 -0.041 0.000 2.073 321 R HA -0.060 4.280 4.340 0.000 0.000 0.234 321 R C 2.308 178.549 176.300 -0.098 0.000 1.134 321 R CA 0.788 56.874 56.100 -0.023 0.000 0.952 321 R CB -0.421 29.913 30.300 0.056 0.000 0.850 321 R HN 0.106 nan 8.270 nan 0.000 0.433 322 V N 1.355 121.130 119.914 -0.232 0.000 2.358 322 V HA -0.210 3.910 4.120 0.000 0.000 0.246 322 V C 2.197 178.142 176.094 -0.249 0.000 1.047 322 V CA 1.320 63.459 62.300 -0.267 0.000 1.035 322 V CB -0.429 31.114 31.823 -0.467 0.000 0.658 322 V HN 0.228 nan 8.190 nan 0.000 0.452 323 L N 0.080 121.115 121.223 -0.312 0.000 2.093 323 L HA -0.123 4.217 4.340 0.000 0.000 0.208 323 L C 2.437 179.222 176.870 -0.143 0.000 1.085 323 L CA 2.309 56.994 54.840 -0.259 0.000 0.755 323 L CB -1.002 40.860 42.059 -0.328 0.000 0.904 323 L HN 0.329 nan 8.230 nan 0.000 0.435 324 T N -0.071 114.424 114.554 -0.098 0.000 2.746 324 T HA -0.168 4.182 4.350 0.000 0.000 0.267 324 T C 1.975 176.659 174.700 -0.026 0.000 1.039 324 T CA 2.025 64.102 62.100 -0.037 0.000 1.142 324 T CB -0.295 68.592 68.868 0.033 0.000 0.866 324 T HN 0.319 nan 8.240 nan 0.000 0.444 325 I N 0.661 121.202 120.570 -0.048 0.000 2.179 325 I HA -0.151 4.019 4.170 0.000 0.000 0.242 325 I C 2.740 178.806 176.117 -0.086 0.000 1.088 325 I CA 1.322 62.589 61.300 -0.055 0.000 1.357 325 I CB -0.326 37.619 38.000 -0.092 0.000 1.051 325 I HN 0.208 nan 8.210 nan 0.000 0.409 326 E N 1.286 121.414 120.200 -0.119 0.000 2.085 326 E HA -0.263 4.087 4.350 0.000 0.000 0.194 326 E C 2.028 178.578 176.600 -0.083 0.000 0.994 326 E CA 1.346 57.678 56.400 -0.114 0.000 0.801 326 E CB -0.288 29.340 29.700 -0.119 0.000 0.743 326 E HN 0.303 nan 8.360 nan 0.000 0.453 327 L N 0.978 122.151 121.223 -0.083 0.000 2.046 327 L HA -0.097 4.243 4.340 0.000 0.000 0.208 327 L C 1.198 178.022 176.870 -0.077 0.000 1.077 327 L CA 1.822 56.614 54.840 -0.079 0.000 0.747 327 L CB -0.431 41.574 42.059 -0.090 0.000 0.896 327 L HN 0.150 nan 8.230 nan 0.000 0.432 328 N N -0.051 118.607 118.700 -0.071 0.000 2.314 328 N HA 0.193 4.933 4.740 0.000 0.000 0.200 328 N C 0.221 175.716 175.510 -0.024 0.000 1.135 328 N CA 0.619 53.640 53.050 -0.047 0.000 0.835 328 N CB 0.227 38.713 38.487 -0.001 0.000 0.989 328 N HN 0.413 nan 8.380 nan 0.000 0.478 329 A N 0.158 122.953 122.820 -0.041 0.000 2.261 329 A HA 0.603 4.923 4.320 0.000 0.000 0.323 329 A C -0.052 177.509 177.584 -0.038 0.000 1.107 329 A CA -0.433 51.578 52.037 -0.043 0.000 0.883 329 A CB 1.148 20.107 19.000 -0.068 0.000 1.251 329 A HN -0.037 nan 8.150 nan 0.000 0.502 330 V N 1.431 121.322 119.914 -0.039 0.000 2.311 330 V HA 0.300 4.421 4.120 0.000 0.000 0.275 330 V C 0.869 176.939 176.094 -0.041 0.000 1.022 330 V CA 0.398 62.679 62.300 -0.032 0.000 0.830 330 V CB 0.565 32.371 31.823 -0.029 0.000 1.012 330 V HN 1.024 nan 8.190 nan 0.000 0.452 331 T N -0.811 113.729 114.554 -0.025 0.000 3.223 331 T HA 0.221 4.571 4.350 0.000 0.000 0.259 331 T C 0.131 174.849 174.700 0.030 0.000 1.015 331 T CA -0.562 61.530 62.100 -0.014 0.000 0.908 331 T CB -0.339 68.531 68.868 0.005 0.000 1.054 331 T HN 0.514 nan 8.240 nan 0.000 0.567 332 D N 2.384 122.792 120.400 0.012 0.000 2.354 332 D HA 0.533 5.173 4.640 0.000 0.000 0.247 332 D C -0.111 176.203 176.300 0.024 0.000 1.138 332 D CA -0.137 53.886 54.000 0.038 0.000 0.958 332 D CB 0.561 41.366 40.800 0.009 0.000 1.144 332 D HN 0.354 nan 8.370 nan 0.000 0.458 333 N N -0.114 118.629 118.700 0.073 0.000 2.537 333 N HA 0.263 5.003 4.740 0.000 0.000 0.281 333 N C -2.947 172.594 175.510 0.052 0.000 1.097 333 N CA -1.216 51.851 53.050 0.029 0.000 0.964 333 N CB 1.836 40.460 38.487 0.227 0.000 1.588 333 N HN 0.014 nan 8.380 nan 0.000 0.511 334 P HA 0.325 nan 4.420 nan 0.000 0.279 334 P C -0.879 176.097 177.300 -0.541 0.000 1.282 334 P CA -0.429 62.394 63.100 -0.462 0.000 0.788 334 P CB 0.909 32.143 31.700 -0.778 0.000 1.139 335 V N -3.870 115.640 119.914 -0.673 0.000 2.962 335 V HA 0.627 4.747 4.120 0.000 0.000 0.313 335 V C -1.032 174.586 176.094 -0.793 0.000 1.099 335 V CA -0.934 61.002 62.300 -0.606 0.000 0.971 335 V CB 1.658 33.321 31.823 -0.267 0.000 1.028 335 V HN 0.225 nan 8.190 nan 0.000 0.430 336 F N 1.989 121.924 119.950 -0.025 0.000 2.359 336 F HA 0.603 5.130 4.527 0.000 0.000 0.369 336 F C -2.394 173.401 175.800 -0.008 0.000 1.084 336 F CA -2.547 55.446 58.000 -0.012 0.000 1.096 336 F CB 1.217 40.217 39.000 -0.001 0.000 1.335 336 F HN 0.295 nan 8.300 nan 0.000 0.457 337 P HA -0.044 nan 4.420 nan 0.000 0.255 337 P C -1.963 175.380 177.300 0.073 0.000 1.161 337 P CA -0.501 62.632 63.100 0.055 0.000 0.768 337 P CB 0.399 32.120 31.700 0.035 0.000 0.746 338 P HA -0.196 nan 4.420 nan 0.000 0.218 338 P C 0.908 178.229 177.300 0.035 0.000 1.148 338 P CA 1.401 64.528 63.100 0.046 0.000 0.822 338 P CB -0.117 31.603 31.700 0.033 0.000 0.784 339 D N -1.570 118.847 120.400 0.029 0.000 2.348 339 D HA -0.011 4.629 4.640 0.000 0.000 0.216 339 D C 1.467 177.784 176.300 0.027 0.000 0.970 339 D CA 1.083 55.096 54.000 0.023 0.000 0.889 339 D CB -1.240 39.570 40.800 0.017 0.000 0.912 339 D HN 0.208 nan 8.370 nan 0.000 0.524 340 G N -0.064 108.759 108.800 0.039 0.000 2.148 340 G HA2 -0.378 3.582 3.960 0.000 0.000 0.254 340 G HA3 -0.378 3.582 3.960 0.000 0.000 0.254 340 G C 1.243 176.166 174.900 0.039 0.000 0.981 340 G CA 1.176 46.301 45.100 0.043 0.000 0.670 340 G HN 0.661 nan 8.290 nan 0.000 0.528 341 S N -1.269 114.451 115.700 0.033 0.000 2.365 341 S HA 0.128 4.598 4.470 0.000 0.000 0.225 341 S C 1.269 175.890 174.600 0.035 0.000 1.039 341 S CA 2.114 60.331 58.200 0.028 0.000 1.033 341 S CB -0.571 62.641 63.200 0.021 0.000 0.887 341 S HN 2.050 nan 8.310 nan 0.000 0.447 342 V N -3.350 116.591 119.914 0.044 0.000 3.040 342 V HA 0.568 4.688 4.120 0.000 0.000 0.312 342 V C -2.441 173.704 176.094 0.084 0.000 1.115 342 V CA -2.214 60.120 62.300 0.055 0.000 0.998 342 V CB 1.212 33.063 31.823 0.047 0.000 1.042 342 V HN -0.094 nan 8.190 nan 0.000 0.433 343 P HA 0.175 nan 4.420 nan 0.000 0.216 343 P C 0.295 177.736 177.300 0.236 0.000 1.150 343 P CA 2.247 65.439 63.100 0.155 0.000 0.837 343 P CB 0.161 31.948 31.700 0.146 0.000 0.786 344 A N -2.205 120.705 122.820 0.150 0.000 2.586 344 A HA 0.635 4.955 4.320 0.000 0.000 0.291 344 A C -1.941 175.623 177.584 -0.033 0.000 1.062 344 A CA -0.550 51.499 52.037 0.020 0.000 0.666 344 A CB 0.383 19.380 19.000 -0.005 0.000 1.281 344 A HN -0.051 nan 8.150 nan 0.000 0.421 345 L N 0.983 122.094 121.223 -0.187 0.000 2.362 345 L HA 0.614 4.955 4.340 0.000 0.000 0.271 345 L C -1.101 175.615 176.870 -0.257 0.000 1.002 345 L CA -0.695 54.079 54.840 -0.110 0.000 0.818 345 L CB 2.294 44.291 42.059 -0.102 0.000 1.298 345 L HN 0.850 nan 8.230 nan 0.000 0.420 346 H N 1.029 120.033 119.070 -0.109 0.000 2.505 346 H HA 0.760 5.316 4.556 0.000 0.000 0.338 346 H C 0.145 175.405 175.328 -0.113 0.000 1.057 346 H CA -0.170 55.812 56.048 -0.109 0.000 1.202 346 H CB 1.989 31.691 29.762 -0.099 0.000 1.466 346 H HN 0.737 nan 8.280 nan 0.000 0.499 347 G N 0.619 109.378 108.800 -0.067 0.000 2.793 347 G HA2 0.447 4.407 3.960 0.000 0.000 0.248 347 G HA3 0.447 4.407 3.960 0.000 0.000 0.248 347 G C -0.255 174.461 174.900 -0.306 0.000 1.198 347 G CA -0.298 44.719 45.100 -0.139 0.000 0.865 347 G HN 0.671 nan 8.290 nan 0.000 0.534 348 G N -0.002 108.507 108.800 -0.485 0.000 4.543 348 G HA2 0.281 4.241 3.960 0.000 0.000 0.286 348 G HA3 0.281 4.241 3.960 0.000 0.000 0.286 348 G C 0.248 174.558 174.900 -0.983 0.000 1.112 348 G CA -0.138 44.319 45.100 -1.073 0.000 0.870 348 G HN 0.264 nan 8.290 nan 0.000 0.540 349 N N 0.906 119.224 118.700 -0.636 0.000 2.609 349 N HA -0.036 4.704 4.740 0.000 0.000 0.190 349 N C 1.434 176.797 175.510 -0.244 0.000 1.157 349 N CA 0.310 53.154 53.050 -0.343 0.000 0.918 349 N CB -0.137 38.231 38.487 -0.198 0.000 0.978 349 N HN 0.620 nan 8.380 nan 0.000 0.448 350 F N -1.305 118.626 119.950 -0.032 0.000 2.776 350 F HA 0.346 4.873 4.527 0.000 0.000 0.300 350 F C 0.810 176.606 175.800 -0.007 0.000 1.116 350 F CA -0.866 57.120 58.000 -0.022 0.000 1.375 350 F CB -0.769 38.217 39.000 -0.024 0.000 1.109 350 F HN -0.168 nan 8.300 nan 0.000 0.585 351 M N 2.794 122.450 119.600 0.094 0.000 2.435 351 M HA 0.341 4.822 4.480 0.000 0.000 0.338 351 M C 0.970 177.336 176.300 0.109 0.000 1.628 351 M CA -0.466 54.931 55.300 0.161 0.000 1.215 351 M CB 0.088 32.701 32.600 0.022 0.000 1.905 351 M HN 0.250 nan 8.290 nan 0.000 0.457 352 G N 3.549 112.423 108.800 0.123 0.000 3.471 352 G HA2 0.040 4.000 3.960 0.000 0.000 0.254 352 G HA3 0.040 4.000 3.960 0.000 0.000 0.254 352 G C 0.668 175.611 174.900 0.073 0.000 1.199 352 G CA -0.201 44.952 45.100 0.087 0.000 1.683 352 G HN 0.815 nan 8.290 nan 0.000 0.625 353 Q N 0.023 119.867 119.800 0.073 0.000 2.167 353 Q HA -0.085 4.255 4.340 0.000 0.000 0.202 353 Q C 1.940 177.920 176.000 -0.034 0.000 0.970 353 Q CA 1.448 57.260 55.803 0.015 0.000 0.855 353 Q CB -0.119 28.608 28.738 -0.019 0.000 0.911 353 Q HN 0.712 nan 8.270 nan 0.000 0.438 354 H N -1.666 117.386 119.070 -0.030 0.000 2.321 354 H HA -0.064 4.492 4.556 0.000 0.000 0.300 354 H C 1.799 177.051 175.328 -0.127 0.000 1.087 354 H CA 1.748 57.752 56.048 -0.074 0.000 1.319 354 H CB -0.002 29.704 29.762 -0.094 0.000 1.379 354 H HN 0.071 nan 8.280 nan 0.000 0.501 355 V N 0.430 120.354 119.914 0.018 0.000 2.548 355 V HA -0.198 3.922 4.120 0.000 0.000 0.249 355 V C 2.476 178.562 176.094 -0.013 0.000 1.055 355 V CA 1.337 63.609 62.300 -0.045 0.000 1.065 355 V CB -0.861 30.947 31.823 -0.025 0.000 0.681 355 V HN 0.566 nan 8.190 nan 0.000 0.462 356 A N 0.034 122.860 122.820 0.009 0.000 1.858 356 A HA -0.163 4.157 4.320 0.000 0.000 0.216 356 A C 2.197 179.797 177.584 0.027 0.000 1.190 356 A CA 1.812 53.864 52.037 0.025 0.000 0.617 356 A CB -0.515 18.501 19.000 0.028 0.000 0.827 356 A HN 0.484 nan 8.150 nan 0.000 0.443 357 L N -0.163 121.066 121.223 0.010 0.000 2.093 357 L HA -0.138 4.202 4.340 0.000 0.000 0.208 357 L C 2.972 179.889 176.870 0.080 0.000 1.085 357 L CA 1.772 56.648 54.840 0.060 0.000 0.755 357 L CB -0.901 41.208 42.059 0.082 0.000 0.904 357 L HN 0.666 nan 8.230 nan 0.000 0.435 358 T N -4.573 109.928 114.554 -0.088 0.000 2.904 358 T HA -0.086 4.264 4.350 0.000 0.000 0.267 358 T C 2.013 176.789 174.700 0.127 0.000 1.059 358 T CA 1.218 63.212 62.100 -0.175 0.000 1.137 358 T CB -0.220 68.335 68.868 -0.523 0.000 0.879 358 T HN 0.120 nan 8.240 nan 0.000 0.467 359 S N 1.632 117.404 115.700 0.119 0.000 2.383 359 S HA -0.086 4.384 4.470 0.000 0.000 0.227 359 S C 1.830 176.488 174.600 0.097 0.000 1.026 359 S CA 1.129 59.416 58.200 0.144 0.000 0.981 359 S CB -0.488 62.777 63.200 0.108 0.000 0.818 359 S HN 0.512 nan 8.310 nan 0.000 0.472 360 D N 1.673 122.128 120.400 0.090 0.000 2.117 360 D HA 0.025 4.665 4.640 0.000 0.000 0.198 360 D C 2.131 178.484 176.300 0.089 0.000 0.982 360 D CA 1.161 55.208 54.000 0.078 0.000 0.828 360 D CB -0.395 40.447 40.800 0.071 0.000 0.967 360 D HN 0.371 nan 8.370 nan 0.000 0.464 361 A N 0.729 123.638 122.820 0.148 0.000 1.898 361 A HA -0.127 4.193 4.320 0.000 0.000 0.216 361 A C 2.147 179.802 177.584 0.119 0.000 1.181 361 A CA 0.914 53.057 52.037 0.177 0.000 0.620 361 A CB -0.667 18.564 19.000 0.385 0.000 0.819 361 A HN 0.240 nan 8.150 nan 0.000 0.442 362 L N -0.200 121.086 121.223 0.105 0.000 2.083 362 L HA -0.028 4.312 4.340 0.000 0.000 0.209 362 L C 2.639 179.496 176.870 -0.022 0.000 1.083 362 L CA 2.063 56.911 54.840 0.013 0.000 0.752 362 L CB -0.798 41.191 42.059 -0.115 0.000 0.899 362 L HN 0.341 nan 8.230 nan 0.000 0.433 363 A N -1.529 121.292 122.820 0.001 0.000 1.908 363 A HA -0.221 4.099 4.320 0.000 0.000 0.218 363 A C 2.270 179.830 177.584 -0.040 0.000 1.181 363 A CA 2.371 54.402 52.037 -0.011 0.000 0.627 363 A CB -1.217 17.793 19.000 0.017 0.000 0.818 363 A HN 0.508 nan 8.150 nan 0.000 0.445 364 T N 0.194 114.734 114.554 -0.023 0.000 2.746 364 T HA 0.002 4.352 4.350 0.000 0.000 0.267 364 T C 2.230 176.875 174.700 -0.091 0.000 1.039 364 T CA 1.551 63.626 62.100 -0.043 0.000 1.142 364 T CB -0.446 68.412 68.868 -0.017 0.000 0.866 364 T HN 0.605 nan 8.240 nan 0.000 0.444 365 A N 0.946 123.713 122.820 -0.088 0.000 1.902 365 A HA -0.047 4.273 4.320 0.000 0.000 0.217 365 A C 2.573 179.988 177.584 -0.283 0.000 1.181 365 A CA 1.295 53.247 52.037 -0.140 0.000 0.623 365 A CB -0.999 17.954 19.000 -0.078 0.000 0.818 365 A HN 0.356 nan 8.150 nan 0.000 0.443 366 V N -0.296 119.435 119.914 -0.304 0.000 2.343 366 V HA -0.217 3.903 4.120 0.000 0.000 0.247 366 V C 2.728 178.490 176.094 -0.554 0.000 1.051 366 V CA 2.444 64.410 62.300 -0.557 0.000 1.036 366 V CB -1.164 30.503 31.823 -0.260 0.000 0.654 366 V HN 0.610 nan 8.190 nan 0.000 0.451 367 T N -0.165 114.216 114.554 -0.289 0.000 2.821 367 T HA -0.141 4.209 4.350 0.000 0.000 0.267 367 T C 1.946 176.511 174.700 -0.225 0.000 1.046 367 T CA 1.513 63.487 62.100 -0.210 0.000 1.139 367 T CB -0.151 68.651 68.868 -0.109 0.000 0.871 367 T HN 0.284 nan 8.240 nan 0.000 0.454 368 V N 1.240 121.019 119.914 -0.224 0.000 2.295 368 V HA -0.101 4.019 4.120 0.000 0.000 0.246 368 V C 2.390 178.344 176.094 -0.235 0.000 1.049 368 V CA 1.332 63.520 62.300 -0.186 0.000 1.024 368 V CB -0.567 31.162 31.823 -0.158 0.000 0.648 368 V HN 0.320 nan 8.190 nan 0.000 0.447 369 L N 0.314 121.304 121.223 -0.390 0.000 2.141 369 L HA -0.030 4.310 4.340 0.000 0.000 0.209 369 L C 2.540 179.200 176.870 -0.350 0.000 1.094 369 L CA 2.016 56.617 54.840 -0.398 0.000 0.763 369 L CB -1.187 40.509 42.059 -0.606 0.000 0.908 369 L HN 0.285 nan 8.230 nan 0.000 0.437 370 A N -0.556 121.931 122.820 -0.554 0.000 1.930 370 A HA -0.057 4.263 4.320 0.000 0.000 0.217 370 A C 2.424 179.984 177.584 -0.040 0.000 1.175 370 A CA 1.479 53.382 52.037 -0.223 0.000 0.627 370 A CB -1.213 17.672 19.000 -0.193 0.000 0.815 370 A HN 0.417 nan 8.150 nan 0.000 0.443 371 G N -0.141 108.608 108.800 -0.085 0.000 2.422 371 G HA2 -0.117 3.843 3.960 0.000 0.000 0.218 371 G HA3 -0.117 3.843 3.960 0.000 0.000 0.218 371 G C 1.467 176.369 174.900 0.002 0.000 1.146 371 G CA 1.180 46.262 45.100 -0.030 0.000 0.769 371 G HN 0.505 nan 8.290 nan 0.000 0.547 372 L N 1.408 122.627 121.223 -0.006 0.000 2.017 372 L HA 0.181 4.521 4.340 0.000 0.000 0.208 372 L C 3.003 179.916 176.870 0.072 0.000 1.073 372 L CA 2.287 57.146 54.840 0.031 0.000 0.745 372 L CB -0.834 41.236 42.059 0.018 0.000 0.894 372 L HN 0.205 nan 8.230 nan 0.000 0.432 373 A N -0.840 122.047 122.820 0.113 0.000 1.902 373 A HA -0.228 4.092 4.320 0.000 0.000 0.217 373 A C 2.323 179.966 177.584 0.098 0.000 1.181 373 A CA 1.708 53.830 52.037 0.142 0.000 0.623 373 A CB -0.789 18.355 19.000 0.241 0.000 0.818 373 A HN 0.600 nan 8.150 nan 0.000 0.443 374 E N -0.026 120.225 120.200 0.085 0.000 2.077 374 E HA -0.204 4.146 4.350 0.000 0.000 0.193 374 E C 2.064 178.697 176.600 0.056 0.000 0.989 374 E CA 0.932 57.371 56.400 0.066 0.000 0.800 374 E CB -0.206 29.526 29.700 0.054 0.000 0.746 374 E HN 0.374 nan 8.360 nan 0.000 0.452 375 R N 0.318 120.849 120.500 0.052 0.000 2.148 375 R HA -0.038 4.302 4.340 0.000 0.000 0.223 375 R C 2.363 178.693 176.300 0.050 0.000 1.088 375 R CA 0.808 56.936 56.100 0.047 0.000 0.985 375 R CB -0.376 29.950 30.300 0.043 0.000 0.880 375 R HN 0.406 nan 8.270 nan 0.000 0.451 376 Q N 0.019 119.855 119.800 0.059 0.000 2.119 376 Q HA -0.028 4.312 4.340 0.000 0.000 0.201 376 Q C 2.187 178.211 176.000 0.041 0.000 0.972 376 Q CA 1.079 56.917 55.803 0.059 0.000 0.847 376 Q CB -0.078 28.704 28.738 0.074 0.000 0.903 376 Q HN 0.300 nan 8.270 nan 0.000 0.433 377 I N 0.724 121.318 120.570 0.041 0.000 2.179 377 I HA -0.271 3.899 4.170 0.000 0.000 0.242 377 I C 2.447 178.591 176.117 0.045 0.000 1.088 377 I CA 0.947 62.264 61.300 0.029 0.000 1.357 377 I CB -0.435 37.587 38.000 0.035 0.000 1.051 377 I HN 0.155 nan 8.210 nan 0.000 0.409 378 A N 0.791 123.644 122.820 0.055 0.000 1.940 378 A HA -0.265 4.055 4.320 0.000 0.000 0.219 378 A C 2.440 180.045 177.584 0.035 0.000 1.176 378 A CA 2.028 54.103 52.037 0.063 0.000 0.631 378 A CB -0.649 18.384 19.000 0.056 0.000 0.814 378 A HN 0.401 nan 8.150 nan 0.000 0.446 379 R N -0.976 119.537 120.500 0.022 0.000 2.062 379 R HA -0.032 4.308 4.340 0.000 0.000 0.226 379 R C 2.043 178.335 176.300 -0.012 0.000 1.125 379 R CA 1.388 57.491 56.100 0.004 0.000 0.966 379 R CB -0.416 29.893 30.300 0.015 0.000 0.861 379 R HN 0.393 nan 8.270 nan 0.000 0.433 380 L N 1.204 122.425 121.223 -0.005 0.000 2.079 380 L HA -0.123 4.217 4.340 0.000 0.000 0.210 380 L C 1.994 178.839 176.870 -0.041 0.000 1.081 380 L CA 2.470 57.298 54.840 -0.020 0.000 0.752 380 L CB -0.508 41.539 42.059 -0.020 0.000 0.896 380 L HN 0.456 nan 8.230 nan 0.000 0.433 381 T N -4.337 110.198 114.554 -0.032 0.000 3.081 381 T HA 0.028 4.378 4.350 0.000 0.000 0.250 381 T C 0.738 175.242 174.700 -0.326 0.000 1.100 381 T CA -0.078 61.980 62.100 -0.070 0.000 1.038 381 T CB -0.443 68.516 68.868 0.151 0.000 0.962 381 T HN 0.251 nan 8.240 nan 0.000 0.516 382 D N 2.664 122.935 120.400 -0.215 0.000 2.380 382 D HA 0.075 4.715 4.640 0.000 0.000 0.230 382 D C 1.328 177.507 176.300 -0.202 0.000 1.154 382 D CA -0.328 53.522 54.000 -0.250 0.000 0.859 382 D CB 1.224 41.962 40.800 -0.104 0.000 1.045 382 D HN 0.616 nan 8.370 nan 0.000 0.495 383 E N 3.319 123.368 120.200 -0.251 0.000 2.267 383 E HA -0.216 4.134 4.350 0.000 0.000 0.197 383 E C 1.057 177.607 176.600 -0.083 0.000 0.998 383 E CA 0.824 57.139 56.400 -0.142 0.000 0.830 383 E CB 0.073 29.701 29.700 -0.121 0.000 0.751 383 E HN 0.377 nan 8.360 nan 0.000 0.491 384 R N 0.005 120.458 120.500 -0.078 0.000 2.240 384 R HA 0.150 4.490 4.340 0.000 0.000 0.203 384 R C 1.809 178.084 176.300 -0.042 0.000 1.011 384 R CA 0.684 56.755 56.100 -0.047 0.000 1.007 384 R CB 0.146 30.425 30.300 -0.036 0.000 0.911 384 R HN 0.281 nan 8.270 nan 0.000 0.468 385 L N 0.133 121.326 121.223 -0.050 0.000 2.749 385 L HA 0.113 4.453 4.340 0.000 0.000 0.242 385 L C 0.597 177.446 176.870 -0.035 0.000 1.103 385 L CA -0.111 54.706 54.840 -0.038 0.000 0.906 385 L CB 0.161 42.200 42.059 -0.033 0.000 1.228 385 L HN 0.118 nan 8.230 nan 0.000 0.517 386 N N 0.987 119.659 118.700 -0.046 0.000 2.362 386 N HA -0.038 4.702 4.740 0.000 0.000 0.211 386 N C -0.039 175.453 175.510 -0.030 0.000 1.170 386 N CA -0.333 52.694 53.050 -0.038 0.000 0.828 386 N CB -0.245 38.211 38.487 -0.051 0.000 1.034 386 N HN 0.074 nan 8.380 nan 0.000 0.475 387 R N -0.376 120.108 120.500 -0.027 0.000 3.092 387 R HA -0.176 4.164 4.340 0.000 0.000 0.245 387 R C 0.868 177.156 176.300 -0.020 0.000 0.881 387 R CA 0.518 56.605 56.100 -0.022 0.000 0.614 387 R CB -2.121 28.168 30.300 -0.018 0.000 1.128 387 R HN 0.614 nan 8.270 nan 0.000 0.483 388 G N -0.987 107.800 108.800 -0.022 0.000 2.213 388 G HA2 -0.300 3.660 3.960 0.000 0.000 0.236 388 G HA3 -0.300 3.660 3.960 0.000 0.000 0.236 388 G C 0.280 175.168 174.900 -0.020 0.000 0.991 388 G CA 0.014 45.103 45.100 -0.018 0.000 0.629 388 G HN 0.273 nan 8.290 nan 0.000 0.517 389 L N 1.738 122.945 121.223 -0.026 0.000 2.453 389 L HA 0.424 4.764 4.340 0.000 0.000 0.261 389 L C -1.627 175.223 176.870 -0.032 0.000 1.179 389 L CA -1.984 52.839 54.840 -0.029 0.000 0.813 389 L CB 0.564 42.607 42.059 -0.028 0.000 1.110 389 L HN -0.070 nan 8.230 nan 0.000 0.466 390 P HA 0.067 nan 4.420 nan 0.000 0.269 390 P C -2.486 174.833 177.300 0.031 0.000 1.209 390 P CA -1.031 62.061 63.100 -0.014 0.000 0.776 390 P CB -0.184 31.401 31.700 -0.192 0.000 0.876 391 P HA -0.020 nan 4.420 nan 0.000 0.263 391 P C -0.247 177.081 177.300 0.047 0.000 1.195 391 P CA 0.361 63.389 63.100 -0.120 0.000 0.762 391 P CB -0.181 31.494 31.700 -0.043 0.000 0.799 392 F N 1.589 121.638 119.950 0.165 0.000 3.069 392 F HA -0.240 4.287 4.527 0.000 0.000 0.285 392 F C 1.307 177.281 175.800 0.290 0.000 0.827 392 F CA 0.330 58.452 58.000 0.203 0.000 1.108 392 F CB -2.657 36.452 39.000 0.181 0.000 1.252 392 F HN 0.275 nan 8.300 nan 0.000 0.483 393 L N -1.630 119.753 121.223 0.268 0.000 3.737 393 L HA -0.317 4.023 4.340 0.000 0.000 0.418 393 L C 1.340 178.359 176.870 0.248 0.000 1.216 393 L CA 1.054 56.029 54.840 0.226 0.000 0.915 393 L CB -1.945 40.264 42.059 0.250 0.000 1.834 393 L HN 0.698 nan 8.230 nan 0.000 0.943 394 H N 0.402 119.592 119.070 0.200 0.000 2.603 394 H HA 0.673 5.229 4.556 0.000 0.000 0.370 394 H C 0.274 175.657 175.328 0.091 0.000 1.225 394 H CA -0.494 55.632 56.048 0.129 0.000 1.410 394 H CB 0.902 30.731 29.762 0.112 0.000 1.495 394 H HN 0.294 nan 8.280 nan 0.000 0.602 395 R N -0.161 120.339 120.500 -0.000 0.000 2.888 395 R HA 0.486 4.826 4.340 0.000 0.000 0.266 395 R C -0.273 176.122 176.300 0.159 0.000 1.020 395 R CA -0.249 55.831 56.100 -0.034 0.000 0.963 395 R CB 2.073 32.377 30.300 0.006 0.000 1.197 395 R HN 1.098 nan 8.270 nan 0.000 0.481 396 G N 1.323 110.191 108.800 0.113 0.000 2.760 396 G HA2 -0.182 3.778 3.960 0.000 0.000 0.246 396 G HA3 -0.182 3.778 3.960 0.000 0.000 0.246 396 G C -2.751 172.273 174.900 0.208 0.000 1.359 396 G CA -1.214 43.966 45.100 0.134 0.000 0.861 396 G HN 0.389 nan 8.290 nan 0.000 0.541 397 P HA 0.487 nan 4.420 nan 0.000 0.268 397 P C 0.304 177.626 177.300 0.037 0.000 1.204 397 P CA 0.720 63.881 63.100 0.101 0.000 0.768 397 P CB 0.885 32.611 31.700 0.044 0.000 0.842 398 A N 2.978 125.802 122.820 0.008 0.000 2.425 398 A HA 0.514 4.834 4.320 0.000 0.000 0.249 398 A C 1.508 178.987 177.584 -0.175 0.000 1.084 398 A CA 0.766 52.618 52.037 -0.309 0.000 0.781 398 A CB -0.886 18.047 19.000 -0.111 0.000 1.019 398 A HN 0.802 nan 8.150 nan 0.000 0.490 399 G N 0.470 109.146 108.800 -0.205 0.000 3.206 399 G HA2 -0.286 3.674 3.960 0.000 0.000 0.217 399 G HA3 -0.286 3.674 3.960 0.000 0.000 0.217 399 G C 1.139 175.988 174.900 -0.085 0.000 1.350 399 G CA 0.479 45.520 45.100 -0.098 0.000 0.836 399 G HN 0.817 nan 8.290 nan 0.000 0.548 400 L N 0.983 122.163 121.223 -0.071 0.000 2.093 400 L HA 0.114 4.454 4.340 0.000 0.000 0.208 400 L C 0.779 177.617 176.870 -0.053 0.000 1.085 400 L CA 1.057 55.870 54.840 -0.045 0.000 0.755 400 L CB -0.251 41.796 42.059 -0.021 0.000 0.904 400 L HN 0.333 nan 8.230 nan 0.000 0.435 401 N N -1.408 117.242 118.700 -0.084 0.000 2.321 401 N HA 0.185 4.925 4.740 0.000 0.000 0.299 401 N C -0.052 175.384 175.510 -0.123 0.000 1.048 401 N CA -0.099 52.915 53.050 -0.060 0.000 0.836 401 N CB 2.068 40.583 38.487 0.047 0.000 1.269 401 N HN -0.185 nan 8.380 nan 0.000 0.486 402 S N 0.163 115.831 115.700 -0.053 0.000 2.559 402 S HA 0.242 4.713 4.470 0.000 0.000 0.226 402 S C 1.287 175.929 174.600 0.070 0.000 1.000 402 S CA 0.030 58.212 58.200 -0.030 0.000 0.948 402 S CB 0.489 63.626 63.200 -0.105 0.000 0.870 402 S HN 0.923 nan 8.310 nan 0.000 0.497 403 G N 2.480 111.317 108.800 0.062 0.000 2.629 403 G HA2 -0.348 3.612 3.960 0.000 0.000 0.313 403 G HA3 -0.348 3.612 3.960 0.000 0.000 0.313 403 G C 0.245 175.047 174.900 -0.164 0.000 1.217 403 G CA 0.819 45.921 45.100 0.003 0.000 0.994 403 G HN 0.463 nan 8.290 nan 0.000 0.549 404 F N 1.370 121.408 119.950 0.146 0.000 2.664 404 F HA 0.475 5.002 4.527 -0.000 0.000 0.301 404 F C 2.388 178.215 175.800 0.046 0.000 1.126 404 F CA 0.911 58.971 58.000 0.099 0.000 1.373 404 F CB 0.140 39.215 39.000 0.126 0.000 1.042 404 F HN 0.323 nan 8.300 nan 0.000 0.535 405 M N -0.046 119.551 119.600 -0.005 0.000 2.108 405 M HA -0.127 4.354 4.480 0.000 0.000 0.261 405 M C 2.392 178.555 176.300 -0.228 0.000 1.066 405 M CA 2.219 57.244 55.300 -0.458 0.000 1.107 405 M CB -0.448 31.644 32.600 -0.846 0.000 1.356 405 M HN 0.315 nan 8.290 nan 0.000 0.406 406 G N -0.843 107.884 108.800 -0.122 0.000 2.394 406 G HA2 -0.095 3.865 3.960 0.000 0.000 0.215 406 G HA3 -0.095 3.865 3.960 0.000 0.000 0.215 406 G C 1.482 176.382 174.900 -0.001 0.000 1.165 406 G CA 0.724 45.783 45.100 -0.070 0.000 0.784 406 G HN 0.608 nan 8.290 nan 0.000 0.535 407 A N 0.023 122.879 122.820 0.061 0.000 1.933 407 A HA -0.104 4.216 4.320 0.000 0.000 0.218 407 A C 2.272 179.921 177.584 0.109 0.000 1.175 407 A CA 2.045 54.151 52.037 0.115 0.000 0.628 407 A CB -0.436 18.711 19.000 0.245 0.000 0.814 407 A HN 0.383 nan 8.150 nan 0.000 0.444 408 Q N 0.104 119.982 119.800 0.130 0.000 2.084 408 Q HA -0.130 4.210 4.340 0.000 0.000 0.202 408 Q C 2.085 178.132 176.000 0.078 0.000 0.978 408 Q CA 2.113 57.991 55.803 0.125 0.000 0.844 408 Q CB -0.303 28.557 28.738 0.204 0.000 0.898 408 Q HN 0.434 nan 8.270 nan 0.000 0.426 409 V N 0.487 120.426 119.914 0.042 0.000 2.427 409 V HA -0.194 3.926 4.120 0.000 0.000 0.248 409 V C 2.360 178.470 176.094 0.027 0.000 1.051 409 V CA 1.979 64.294 62.300 0.024 0.000 1.048 409 V CB -0.814 31.004 31.823 -0.008 0.000 0.666 409 V HN 0.370 nan 8.190 nan 0.000 0.456 410 T N 0.474 115.045 114.554 0.028 0.000 2.788 410 T HA -0.169 4.181 4.350 0.000 0.000 0.268 410 T C 2.065 176.786 174.700 0.035 0.000 1.044 410 T CA 1.615 63.732 62.100 0.028 0.000 1.139 410 T CB -0.357 68.528 68.868 0.029 0.000 0.867 410 T HN 0.577 nan 8.240 nan 0.000 0.454 411 A N 1.167 124.014 122.820 0.045 0.000 1.902 411 A HA -0.120 4.200 4.320 0.000 0.000 0.217 411 A C 2.543 180.155 177.584 0.046 0.000 1.181 411 A CA 2.042 54.108 52.037 0.049 0.000 0.623 411 A CB -1.153 17.879 19.000 0.054 0.000 0.818 411 A HN 0.477 nan 8.150 nan 0.000 0.443 412 T N 0.285 114.865 114.554 0.043 0.000 2.788 412 T HA 0.007 4.357 4.350 0.000 0.000 0.268 412 T C 2.204 176.922 174.700 0.030 0.000 1.044 412 T CA 1.454 63.577 62.100 0.037 0.000 1.139 412 T CB -0.406 68.484 68.868 0.037 0.000 0.867 412 T HN 0.591 nan 8.240 nan 0.000 0.454 413 A N 1.286 124.122 122.820 0.027 0.000 1.902 413 A HA 0.031 4.351 4.320 0.000 0.000 0.217 413 A C 2.293 179.892 177.584 0.025 0.000 1.181 413 A CA 1.133 53.183 52.037 0.022 0.000 0.623 413 A CB -0.815 18.196 19.000 0.018 0.000 0.818 413 A HN 0.470 nan 8.150 nan 0.000 0.443 414 L N -1.122 120.119 121.223 0.031 0.000 2.046 414 L HA -0.164 4.176 4.340 0.000 0.000 0.208 414 L C 2.568 179.459 176.870 0.037 0.000 1.077 414 L CA 1.214 56.075 54.840 0.036 0.000 0.747 414 L CB -0.542 41.544 42.059 0.045 0.000 0.896 414 L HN 0.481 nan 8.230 nan 0.000 0.432 415 L N 0.239 121.484 121.223 0.036 0.000 2.027 415 L HA -0.115 4.225 4.340 0.000 0.000 0.206 415 L C 2.654 179.534 176.870 0.016 0.000 1.074 415 L CA 1.967 56.823 54.840 0.026 0.000 0.745 415 L CB -0.704 41.370 42.059 0.025 0.000 0.898 415 L HN 0.130 nan 8.230 nan 0.000 0.433 416 A N -0.806 122.024 122.820 0.017 0.000 1.940 416 A HA -0.297 4.023 4.320 0.000 0.000 0.219 416 A C 2.335 179.927 177.584 0.012 0.000 1.176 416 A CA 1.981 54.026 52.037 0.013 0.000 0.631 416 A CB -0.771 18.237 19.000 0.014 0.000 0.814 416 A HN 0.655 nan 8.150 nan 0.000 0.446 417 E N -0.688 119.522 120.200 0.016 0.000 2.072 417 E HA -0.170 4.180 4.350 0.000 0.000 0.191 417 E C 2.052 178.662 176.600 0.016 0.000 0.985 417 E CA 1.226 57.636 56.400 0.016 0.000 0.801 417 E CB -0.199 29.512 29.700 0.019 0.000 0.750 417 E HN 0.679 nan 8.360 nan 0.000 0.452 418 M N 0.052 119.663 119.600 0.017 0.000 2.108 418 M HA -0.186 4.294 4.480 0.000 0.000 0.261 418 M C 2.325 178.629 176.300 0.005 0.000 1.066 418 M CA 1.610 56.918 55.300 0.013 0.000 1.107 418 M CB -0.238 32.366 32.600 0.008 0.000 1.356 418 M HN 0.019 nan 8.290 nan 0.000 0.406 419 R N 0.140 120.641 120.500 0.002 0.000 2.193 419 R HA -0.038 4.302 4.340 0.000 0.000 0.229 419 R C 2.201 178.505 176.300 0.007 0.000 1.110 419 R CA 1.125 57.225 56.100 -0.000 0.000 0.988 419 R CB -0.478 29.821 30.300 -0.002 0.000 0.871 419 R HN 0.383 nan 8.270 nan 0.000 0.458 420 A N 0.576 123.402 122.820 0.010 0.000 2.121 420 A HA -0.035 4.285 4.320 0.000 0.000 0.218 420 A C 0.755 178.349 177.584 0.017 0.000 1.154 420 A CA 0.914 52.958 52.037 0.012 0.000 0.679 420 A CB 0.080 19.087 19.000 0.011 0.000 0.795 420 A HN 0.106 nan 8.150 nan 0.000 0.458 421 T N 0.223 114.788 114.554 0.019 0.000 2.758 421 T HA 0.546 4.896 4.350 0.000 0.000 0.285 421 T C 0.476 175.197 174.700 0.036 0.000 0.981 421 T CA 0.046 62.163 62.100 0.027 0.000 0.965 421 T CB 1.482 70.366 68.868 0.025 0.000 0.927 421 T HN 0.364 nan 8.240 nan 0.000 0.448 422 G N 3.269 112.103 108.800 0.057 0.000 2.702 422 G HA2 0.657 4.617 3.960 0.000 0.000 0.254 422 G HA3 0.657 4.617 3.960 0.000 0.000 0.254 422 G C -2.596 172.352 174.900 0.080 0.000 1.380 422 G CA -1.582 43.555 45.100 0.062 0.000 1.042 422 G HN 0.431 nan 8.290 nan 0.000 0.557 423 P HA 0.263 nan 4.420 nan 0.000 0.266 423 P C 0.310 177.674 177.300 0.107 0.000 1.195 423 P CA 0.346 63.481 63.100 0.059 0.000 0.768 423 P CB 1.331 33.041 31.700 0.018 0.000 0.838 424 A N 1.977 124.863 122.820 0.110 0.000 2.044 424 A HA -0.038 4.282 4.320 0.000 0.000 0.213 424 A C 2.068 179.724 177.584 0.121 0.000 1.169 424 A CA 1.007 53.150 52.037 0.177 0.000 0.724 424 A CB -1.004 18.067 19.000 0.118 0.000 0.840 424 A HN 0.475 nan 8.150 nan 0.000 0.463 425 S N 0.709 116.433 115.700 0.040 0.000 2.387 425 S HA -0.200 4.270 4.470 0.000 0.000 0.230 425 S C 1.713 176.278 174.600 -0.058 0.000 1.035 425 S CA 1.646 59.849 58.200 0.004 0.000 1.014 425 S CB -0.715 62.487 63.200 0.004 0.000 0.836 425 S HN 0.801 nan 8.310 nan 0.000 0.466 426 I N -1.138 119.322 120.570 -0.183 0.000 3.334 426 I HA 0.023 4.193 4.170 0.000 0.000 0.282 426 I C 0.708 176.605 176.117 -0.366 0.000 1.313 426 I CA 1.054 62.183 61.300 -0.285 0.000 1.396 426 I CB -0.400 37.384 38.000 -0.361 0.000 1.054 426 I HN 0.180 nan 8.210 nan 0.000 0.495 427 H N 1.204 120.285 119.070 0.018 0.000 2.524 427 H HA 0.313 4.869 4.556 0.000 0.000 0.299 427 H C 0.673 176.013 175.328 0.019 0.000 1.074 427 H CA -0.229 55.829 56.048 0.018 0.000 1.115 427 H CB 0.078 29.851 29.762 0.017 0.000 1.522 427 H HN 0.307 nan 8.280 nan 0.000 0.543 428 S N 1.211 116.957 115.700 0.076 0.000 2.552 428 S HA 0.204 4.674 4.470 0.000 0.000 0.289 428 S C 0.277 174.915 174.600 0.064 0.000 1.304 428 S CA -0.196 58.042 58.200 0.064 0.000 1.063 428 S CB 0.037 63.260 63.200 0.039 0.000 0.848 428 S HN 0.299 nan 8.310 nan 0.000 0.499 429 I N 3.221 123.826 120.570 0.059 0.000 2.569 429 I HA 0.216 4.386 4.170 0.000 0.000 0.290 429 I C 0.021 176.163 176.117 0.042 0.000 1.088 429 I CA -0.653 60.677 61.300 0.050 0.000 1.047 429 I CB 2.139 40.169 38.000 0.050 0.000 1.237 429 I HN 0.576 nan 8.210 nan 0.000 0.421 430 S N 3.906 119.628 115.700 0.037 0.000 2.525 430 S HA 0.264 4.734 4.470 0.000 0.000 0.285 430 S C -0.205 174.416 174.600 0.034 0.000 1.283 430 S CA 0.445 58.666 58.200 0.035 0.000 1.072 430 S CB 0.248 63.466 63.200 0.030 0.000 0.867 430 S HN 0.769 nan 8.310 nan 0.000 0.492 431 T N 3.148 117.723 114.554 0.036 0.000 2.696 431 T HA 0.419 4.769 4.350 0.000 0.000 0.291 431 T C -0.350 174.372 174.700 0.036 0.000 1.095 431 T CA -0.138 61.983 62.100 0.034 0.000 1.026 431 T CB 0.831 69.720 68.868 0.036 0.000 1.390 431 T HN 0.905 nan 8.240 nan 0.000 0.513 432 N N 0.608 119.329 118.700 0.036 0.000 2.738 432 N HA -0.223 4.517 4.740 0.000 0.000 0.249 432 N C 0.278 175.809 175.510 0.034 0.000 1.047 432 N CA 0.780 53.853 53.050 0.039 0.000 0.707 432 N CB -1.168 37.347 38.487 0.047 0.000 0.937 432 N HN 1.535 nan 8.380 nan 0.000 0.545 433 A N -0.691 122.146 122.820 0.027 0.000 2.783 433 A HA 0.009 4.329 4.320 0.000 0.000 0.292 433 A C 1.329 178.929 177.584 0.026 0.000 1.495 433 A CA 2.082 54.133 52.037 0.023 0.000 0.787 433 A CB -2.270 16.742 19.000 0.020 0.000 1.017 433 A HN 2.245 nan 8.150 nan 0.000 0.516 434 A N -2.408 120.429 122.820 0.029 0.000 3.396 434 A HA -0.355 3.965 4.320 0.000 0.000 0.267 434 A C 1.392 178.997 177.584 0.035 0.000 1.139 434 A CA 2.002 54.057 52.037 0.030 0.000 1.115 434 A CB -2.529 16.486 19.000 0.025 0.000 1.133 434 A HN 2.222 nan 8.150 nan 0.000 0.920 435 N N 0.031 118.754 118.700 0.040 0.000 2.142 435 N HA -0.093 4.647 4.740 0.000 0.000 0.186 435 N C 1.017 176.559 175.510 0.053 0.000 1.023 435 N CA 1.870 54.948 53.050 0.047 0.000 0.852 435 N CB -0.169 38.350 38.487 0.054 0.000 0.998 435 N HN 0.748 nan 8.380 nan 0.000 0.424 436 Q N 0.548 120.378 119.800 0.051 0.000 3.091 436 Q HA 0.061 4.401 4.340 0.000 0.000 0.301 436 Q C -0.379 175.652 176.000 0.052 0.000 1.337 436 Q CA -0.260 55.578 55.803 0.057 0.000 1.083 436 Q CB 0.491 29.258 28.738 0.047 0.000 1.477 436 Q HN 0.519 nan 8.270 nan 0.000 0.537 437 D N -0.563 119.866 120.400 0.048 0.000 2.310 437 D HA -0.094 4.546 4.640 0.000 0.000 0.212 437 D C 0.706 177.030 176.300 0.041 0.000 0.965 437 D CA 0.496 54.520 54.000 0.040 0.000 0.879 437 D CB 0.043 40.863 40.800 0.033 0.000 0.921 437 D HN 0.200 nan 8.370 nan 0.000 0.510 438 V N -1.740 118.204 119.914 0.049 0.000 2.760 438 V HA 0.758 4.878 4.120 0.000 0.000 0.309 438 V C -0.385 175.746 176.094 0.063 0.000 1.077 438 V CA -1.236 61.093 62.300 0.048 0.000 0.910 438 V CB 1.916 33.763 31.823 0.040 0.000 1.008 438 V HN 0.109 nan 8.190 nan 0.000 0.424 439 V N 0.969 120.919 119.914 0.059 0.000 2.962 439 V HA 0.762 4.882 4.120 0.000 0.000 0.313 439 V C 1.038 177.169 176.094 0.062 0.000 1.099 439 V CA 0.268 62.609 62.300 0.068 0.000 0.971 439 V CB 1.431 33.290 31.823 0.060 0.000 1.028 439 V HN 1.269 nan 8.190 nan 0.000 0.430 440 S N 2.602 118.343 115.700 0.069 0.000 2.425 440 S HA 0.079 4.549 4.470 0.000 0.000 0.225 440 S C 1.167 175.799 174.600 0.054 0.000 1.024 440 S CA 1.128 59.362 58.200 0.057 0.000 0.951 440 S CB -0.861 62.377 63.200 0.064 0.000 0.796 440 S HN 1.391 nan 8.310 nan 0.000 0.498 441 L N 0.329 121.587 121.223 0.058 0.000 4.232 441 L HA -0.202 4.138 4.340 0.000 0.000 0.415 441 L C 1.531 178.434 176.870 0.053 0.000 1.168 441 L CA 0.032 54.907 54.840 0.058 0.000 0.966 441 L CB -2.305 39.797 42.059 0.073 0.000 2.052 441 L HN 0.529 nan 8.230 nan 0.000 0.887 442 G N -0.361 108.468 108.800 0.050 0.000 2.442 442 G HA2 -0.216 3.744 3.960 0.000 0.000 0.219 442 G HA3 -0.216 3.744 3.960 0.000 0.000 0.219 442 G C 1.277 176.202 174.900 0.043 0.000 1.141 442 G CA 1.429 46.556 45.100 0.045 0.000 0.763 442 G HN 0.469 nan 8.290 nan 0.000 0.554 443 T N 1.311 115.889 114.554 0.039 0.000 2.777 443 T HA -0.024 4.326 4.350 0.000 0.000 0.266 443 T C 2.380 177.102 174.700 0.036 0.000 1.040 443 T CA 0.954 63.073 62.100 0.033 0.000 1.141 443 T CB -0.126 68.757 68.868 0.024 0.000 0.868 443 T HN 0.269 nan 8.240 nan 0.000 0.444 444 I N 1.616 122.209 120.570 0.039 0.000 2.226 444 I HA -0.167 4.003 4.170 0.000 0.000 0.245 444 I C 3.010 179.157 176.117 0.050 0.000 1.100 444 I CA 1.096 62.421 61.300 0.041 0.000 1.374 444 I CB -0.548 37.479 38.000 0.045 0.000 1.057 444 I HN 0.205 nan 8.210 nan 0.000 0.413 445 A N 0.830 123.683 122.820 0.056 0.000 1.883 445 A HA -0.225 4.095 4.320 0.000 0.000 0.217 445 A C 2.540 180.161 177.584 0.061 0.000 1.186 445 A CA 2.112 54.185 52.037 0.061 0.000 0.624 445 A CB -0.925 18.110 19.000 0.060 0.000 0.822 445 A HN 0.446 nan 8.150 nan 0.000 0.444 446 A N -0.521 122.336 122.820 0.061 0.000 1.930 446 A HA -0.139 4.181 4.320 0.000 0.000 0.217 446 A C 2.249 179.870 177.584 0.062 0.000 1.175 446 A CA 1.507 53.586 52.037 0.070 0.000 0.627 446 A CB -0.425 18.615 19.000 0.067 0.000 0.815 446 A HN 0.557 nan 8.150 nan 0.000 0.443 447 R N -0.554 119.976 120.500 0.051 0.000 2.092 447 R HA 0.027 4.367 4.340 0.000 0.000 0.231 447 R C 1.997 178.325 176.300 0.046 0.000 1.119 447 R CA 1.291 57.418 56.100 0.045 0.000 0.970 447 R CB -0.438 29.883 30.300 0.034 0.000 0.864 447 R HN 0.497 nan 8.270 nan 0.000 0.440 448 L N -0.226 121.025 121.223 0.046 0.000 2.093 448 L HA -0.218 4.122 4.340 0.000 0.000 0.208 448 L C 2.756 179.655 176.870 0.047 0.000 1.085 448 L CA 0.782 55.648 54.840 0.044 0.000 0.755 448 L CB -0.528 41.559 42.059 0.046 0.000 0.904 448 L HN 0.381 nan 8.230 nan 0.000 0.435 449 C N 0.422 119.753 119.300 0.051 0.000 2.446 449 C HA -0.162 4.298 4.460 0.000 0.000 0.277 449 C C 3.110 178.137 174.990 0.062 0.000 1.275 449 C CA 0.939 59.986 59.018 0.049 0.000 1.727 449 C CB -0.546 27.222 27.740 0.046 0.000 2.010 449 C HN 0.507 nan 8.230 nan 0.000 0.486 450 R N 1.226 121.766 120.500 0.067 0.000 2.091 450 R HA -0.091 4.249 4.340 0.000 0.000 0.238 450 R C 2.121 178.467 176.300 0.078 0.000 1.136 450 R CA 2.083 58.229 56.100 0.077 0.000 0.959 450 R CB -0.778 29.565 30.300 0.072 0.000 0.856 450 R HN 0.531 nan 8.270 nan 0.000 0.437 451 E N 0.790 121.029 120.200 0.064 0.000 2.085 451 E HA -0.186 4.164 4.350 0.000 0.000 0.194 451 E C 1.863 178.507 176.600 0.073 0.000 0.994 451 E CA 1.444 57.880 56.400 0.060 0.000 0.801 451 E CB -0.129 29.599 29.700 0.046 0.000 0.743 451 E HN 0.445 nan 8.360 nan 0.000 0.453 452 K N 0.290 120.733 120.400 0.072 0.000 2.097 452 K HA -0.029 4.291 4.320 0.000 0.000 0.205 452 K C 2.298 178.987 176.600 0.149 0.000 1.050 452 K CA 0.739 57.074 56.287 0.080 0.000 0.938 452 K CB -0.110 32.415 32.500 0.041 0.000 0.718 452 K HN 0.101 nan 8.250 nan 0.000 0.442 453 I N 1.417 122.087 120.570 0.165 0.000 2.226 453 I HA -0.277 3.893 4.170 0.000 0.000 0.245 453 I C 1.579 177.817 176.117 0.201 0.000 1.100 453 I CA 1.161 62.613 61.300 0.254 0.000 1.374 453 I CB -0.225 37.891 38.000 0.193 0.000 1.057 453 I HN 0.149 nan 8.210 nan 0.000 0.413 454 D N 0.557 121.033 120.400 0.128 0.000 2.144 454 D HA -0.124 4.516 4.640 0.000 0.000 0.200 454 D C 2.327 178.680 176.300 0.089 0.000 0.978 454 D CA 0.896 54.947 54.000 0.085 0.000 0.833 454 D CB -0.193 40.646 40.800 0.065 0.000 0.961 454 D HN 0.189 nan 8.370 nan 0.000 0.470 455 R N -0.037 120.533 120.500 0.115 0.000 2.075 455 R HA -0.110 4.230 4.340 0.000 0.000 0.232 455 R C 2.125 178.533 176.300 0.180 0.000 1.126 455 R CA 0.441 56.609 56.100 0.113 0.000 0.963 455 R CB -1.052 29.306 30.300 0.096 0.000 0.858 455 R HN 0.339 nan 8.270 nan 0.000 0.435 456 W N 1.947 123.247 121.300 0.001 0.000 2.342 456 W HA -0.096 4.564 4.660 0.000 0.000 0.297 456 W C 2.063 178.573 176.519 -0.015 0.000 1.213 456 W CA 1.407 58.752 57.345 0.001 0.000 1.251 456 W CB -0.587 28.880 29.460 0.013 0.000 1.136 456 W HN 0.136 nan 8.180 nan 0.000 0.526 457 A N 0.092 122.914 122.820 0.002 0.000 1.933 457 A HA -0.209 4.111 4.320 0.000 0.000 0.218 457 A C 1.863 179.362 177.584 -0.142 0.000 1.175 457 A CA 1.903 53.827 52.037 -0.188 0.000 0.628 457 A CB -0.696 18.218 19.000 -0.143 0.000 0.814 457 A HN 0.460 nan 8.150 nan 0.000 0.444 458 E N -0.370 119.804 120.200 -0.043 0.000 2.107 458 E HA -0.072 4.278 4.350 0.000 0.000 0.191 458 E C 1.813 178.397 176.600 -0.027 0.000 0.982 458 E CA 1.020 57.397 56.400 -0.039 0.000 0.809 458 E CB -0.225 29.476 29.700 0.001 0.000 0.756 458 E HN 0.691 nan 8.360 nan 0.000 0.459 459 I N 0.894 121.484 120.570 0.033 0.000 2.252 459 I HA -0.264 3.906 4.170 0.000 0.000 0.245 459 I C 2.218 178.344 176.117 0.016 0.000 1.102 459 I CA 0.958 62.294 61.300 0.060 0.000 1.385 459 I CB -0.127 37.964 38.000 0.151 0.000 1.064 459 I HN 0.113 nan 8.210 nan 0.000 0.414 460 L N 0.398 121.601 121.223 -0.034 0.000 2.083 460 L HA -0.185 4.155 4.340 0.000 0.000 0.209 460 L C 2.829 179.586 176.870 -0.187 0.000 1.083 460 L CA 1.187 55.960 54.840 -0.112 0.000 0.752 460 L CB -0.657 41.242 42.059 -0.267 0.000 0.899 460 L HN 0.241 nan 8.230 nan 0.000 0.433 461 A N 0.325 123.007 122.820 -0.230 0.000 1.902 461 A HA -0.185 4.135 4.320 0.000 0.000 0.217 461 A C 2.201 179.662 177.584 -0.205 0.000 1.181 461 A CA 1.516 53.384 52.037 -0.281 0.000 0.623 461 A CB -0.609 18.238 19.000 -0.255 0.000 0.818 461 A HN 0.352 nan 8.150 nan 0.000 0.443 462 I N -0.846 119.652 120.570 -0.119 0.000 2.252 462 I HA -0.213 3.957 4.170 0.000 0.000 0.245 462 I C 2.408 178.452 176.117 -0.121 0.000 1.102 462 I CA 1.135 62.389 61.300 -0.076 0.000 1.385 462 I CB -0.253 37.741 38.000 -0.011 0.000 1.064 462 I HN 0.400 nan 8.210 nan 0.000 0.414 463 L N 1.258 122.427 121.223 -0.089 0.000 2.083 463 L HA -0.142 4.198 4.340 0.000 0.000 0.209 463 L C 2.501 179.308 176.870 -0.104 0.000 1.083 463 L CA 2.111 56.904 54.840 -0.079 0.000 0.752 463 L CB -0.829 41.224 42.059 -0.009 0.000 0.899 463 L HN 0.178 nan 8.230 nan 0.000 0.433 464 A N -0.547 122.207 122.820 -0.110 0.000 1.898 464 A HA -0.131 4.189 4.320 0.000 0.000 0.216 464 A C 2.258 179.764 177.584 -0.131 0.000 1.181 464 A CA 1.848 53.833 52.037 -0.087 0.000 0.620 464 A CB -0.832 18.081 19.000 -0.146 0.000 0.819 464 A HN 0.498 nan 8.150 nan 0.000 0.442 465 L N -0.888 120.218 121.223 -0.195 0.000 2.083 465 L HA -0.234 4.106 4.340 0.000 0.000 0.209 465 L C 2.714 179.372 176.870 -0.352 0.000 1.083 465 L CA 1.149 55.890 54.840 -0.164 0.000 0.752 465 L CB -0.693 41.337 42.059 -0.048 0.000 0.899 465 L HN 0.484 nan 8.230 nan 0.000 0.433 466 C N -0.172 118.772 119.300 -0.593 0.000 2.429 466 C HA -0.139 4.321 4.460 0.000 0.000 0.277 466 C C 2.749 177.524 174.990 -0.358 0.000 1.262 466 C CA 0.501 59.027 59.018 -0.821 0.000 1.733 466 C CB -0.730 26.667 27.740 -0.572 0.000 2.010 466 C HN 0.428 nan 8.230 nan 0.000 0.483 467 L N 0.891 122.000 121.223 -0.189 0.000 2.093 467 L HA -0.124 4.216 4.340 0.000 0.000 0.208 467 L C 2.855 179.707 176.870 -0.031 0.000 1.085 467 L CA 1.419 56.216 54.840 -0.073 0.000 0.755 467 L CB -0.703 41.347 42.059 -0.015 0.000 0.904 467 L HN 0.338 nan 8.230 nan 0.000 0.435 468 A N -0.242 122.564 122.820 -0.022 0.000 1.902 468 A HA -0.298 4.022 4.320 0.000 0.000 0.217 468 A C 2.217 179.827 177.584 0.043 0.000 1.181 468 A CA 2.010 54.066 52.037 0.032 0.000 0.623 468 A CB -0.523 18.513 19.000 0.060 0.000 0.818 468 A HN 0.423 nan 8.150 nan 0.000 0.443 469 Q N -0.361 119.463 119.800 0.039 0.000 2.046 469 Q HA -0.002 4.338 4.340 0.000 0.000 0.200 469 Q C 2.067 178.096 176.000 0.050 0.000 0.975 469 Q CA 2.068 57.929 55.803 0.098 0.000 0.836 469 Q CB -0.510 28.372 28.738 0.240 0.000 0.896 469 Q HN 0.545 nan 8.270 nan 0.000 0.428 470 A N 0.443 123.262 122.820 -0.002 0.000 1.902 470 A HA -0.086 4.234 4.320 0.000 0.000 0.217 470 A C 2.312 179.902 177.584 0.009 0.000 1.181 470 A CA 1.804 53.839 52.037 -0.003 0.000 0.623 470 A CB -1.237 17.746 19.000 -0.028 0.000 0.818 470 A HN 0.552 nan 8.150 nan 0.000 0.443 471 A N -0.073 122.756 122.820 0.015 0.000 1.933 471 A HA -0.190 4.130 4.320 0.000 0.000 0.218 471 A C 1.915 179.514 177.584 0.025 0.000 1.175 471 A CA 1.705 53.756 52.037 0.023 0.000 0.628 471 A CB -0.507 18.511 19.000 0.031 0.000 0.814 471 A HN 0.667 nan 8.150 nan 0.000 0.444 472 E N -0.256 119.963 120.200 0.031 0.000 2.107 472 E HA -0.057 4.293 4.350 0.000 0.000 0.191 472 E C 1.933 178.547 176.600 0.022 0.000 0.982 472 E CA 0.837 57.255 56.400 0.031 0.000 0.809 472 E CB -0.253 29.473 29.700 0.042 0.000 0.756 472 E HN 0.608 nan 8.360 nan 0.000 0.459 473 L N 0.595 121.830 121.223 0.019 0.000 2.046 473 L HA -0.168 4.172 4.340 0.000 0.000 0.208 473 L C 2.684 179.554 176.870 0.001 0.000 1.077 473 L CA 1.028 55.871 54.840 0.005 0.000 0.747 473 L CB -0.202 41.856 42.059 -0.002 0.000 0.896 473 L HN 0.026 nan 8.230 nan 0.000 0.432 474 R N -0.209 120.293 120.500 0.004 0.000 2.062 474 R HA -0.066 4.274 4.340 0.000 0.000 0.226 474 R C 1.840 178.143 176.300 0.006 0.000 1.125 474 R CA 1.783 57.885 56.100 0.003 0.000 0.966 474 R CB -0.445 29.858 30.300 0.004 0.000 0.861 474 R HN 0.374 nan 8.270 nan 0.000 0.433 475 C N 0.006 119.313 119.300 0.011 0.000 3.038 475 C HA 0.658 5.118 4.460 0.000 0.000 0.279 475 C C 0.656 175.654 174.990 0.014 0.000 1.276 475 C CA -0.295 58.730 59.018 0.013 0.000 1.697 475 C CB -0.763 26.987 27.740 0.016 0.000 2.032 475 C HN 0.746 nan 8.230 nan 0.000 0.636 476 G N 1.617 110.425 108.800 0.014 0.000 2.746 476 G HA2 -0.136 3.824 3.960 0.000 0.000 0.685 476 G HA3 -0.136 3.824 3.960 0.000 0.000 0.685 476 G C 0.652 175.564 174.900 0.019 0.000 1.350 476 G CA 0.010 45.118 45.100 0.015 0.000 0.837 476 G HN 0.725 nan 8.290 nan 0.000 0.564 477 S N -0.794 114.918 115.700 0.020 0.000 2.442 477 S HA 0.079 4.549 4.470 0.000 0.000 0.236 477 S C 2.313 176.927 174.600 0.023 0.000 1.007 477 S CA 1.852 60.066 58.200 0.024 0.000 0.965 477 S CB -0.063 63.151 63.200 0.023 0.000 0.773 477 S HN 2.121 nan 8.310 nan 0.000 0.504 478 G N 0.804 109.616 108.800 0.020 0.000 2.985 478 G HA2 0.381 4.341 3.960 0.000 0.000 0.209 478 G HA3 0.381 4.341 3.960 0.000 0.000 0.209 478 G C 0.495 175.407 174.900 0.020 0.000 1.165 478 G CA -0.229 44.882 45.100 0.019 0.000 0.776 478 G HN 0.573 nan 8.290 nan 0.000 0.541 479 L N 1.010 122.246 121.223 0.022 0.000 3.660 479 L HA -0.145 4.195 4.340 0.000 0.000 0.440 479 L C -0.923 175.959 176.870 0.020 0.000 1.262 479 L CA -0.122 54.731 54.840 0.023 0.000 0.837 479 L CB -1.700 40.375 42.059 0.027 0.000 1.689 479 L HN 0.200 nan 8.230 nan 0.000 0.890 480 D N 1.498 121.908 120.400 0.017 0.000 2.434 480 D HA 0.304 4.944 4.640 0.000 0.000 0.252 480 D C 1.375 177.685 176.300 0.015 0.000 1.185 480 D CA 1.343 55.352 54.000 0.015 0.000 0.886 480 D CB 1.280 42.088 40.800 0.013 0.000 1.148 480 D HN 0.548 nan 8.370 nan 0.000 0.483 481 G N 1.419 110.228 108.800 0.015 0.000 2.217 481 G HA2 -0.275 3.685 3.960 0.000 0.000 0.246 481 G HA3 -0.275 3.685 3.960 0.000 0.000 0.246 481 G C 0.440 175.352 174.900 0.019 0.000 0.990 481 G CA 0.042 45.151 45.100 0.016 0.000 0.627 481 G HN 0.519 nan 8.290 nan 0.000 0.522 482 V N 2.626 122.553 119.914 0.021 0.000 2.715 482 V HA 0.498 4.618 4.120 0.000 0.000 0.299 482 V C 1.512 177.621 176.094 0.025 0.000 1.054 482 V CA 0.182 62.497 62.300 0.026 0.000 1.077 482 V CB 1.398 33.238 31.823 0.028 0.000 0.972 482 V HN 1.081 nan 8.190 nan 0.000 0.484 483 S N 4.960 120.678 115.700 0.029 0.000 2.569 483 S HA 0.114 4.584 4.470 0.000 0.000 0.274 483 S C -1.721 172.892 174.600 0.022 0.000 1.353 483 S CA -0.569 57.647 58.200 0.027 0.000 1.023 483 S CB 0.431 63.653 63.200 0.036 0.000 0.876 483 S HN 0.580 nan 8.310 nan 0.000 0.540 484 P HA -0.028 nan 4.420 nan 0.000 0.216 484 P C 1.629 178.935 177.300 0.009 0.000 1.153 484 P CA 1.916 65.024 63.100 0.012 0.000 0.848 484 P CB -0.246 31.459 31.700 0.009 0.000 0.787 485 A N -0.337 122.486 122.820 0.006 0.000 1.930 485 A HA -0.048 4.272 4.320 0.000 0.000 0.217 485 A C 2.449 180.033 177.584 0.000 0.000 1.175 485 A CA 1.972 54.005 52.037 -0.006 0.000 0.627 485 A CB -1.822 17.169 19.000 -0.015 0.000 0.815 485 A HN 0.274 nan 8.150 nan 0.000 0.443 486 G N -0.330 108.480 108.800 0.017 0.000 2.402 486 G HA2 -0.195 3.765 3.960 0.000 0.000 0.216 486 G HA3 -0.195 3.765 3.960 0.000 0.000 0.216 486 G C 1.680 176.599 174.900 0.033 0.000 1.162 486 G CA 1.030 46.148 45.100 0.029 0.000 0.777 486 G HN 0.555 nan 8.290 nan 0.000 0.539 487 K N 0.229 120.646 120.400 0.028 0.000 2.026 487 K HA -0.057 4.263 4.320 0.000 0.000 0.208 487 K C 2.442 179.062 176.600 0.033 0.000 1.048 487 K CA 1.317 57.622 56.287 0.031 0.000 0.929 487 K CB -0.147 32.368 32.500 0.025 0.000 0.713 487 K HN 0.245 nan 8.250 nan 0.000 0.439 488 K N 1.424 121.839 120.400 0.024 0.000 2.063 488 K HA -0.156 4.164 4.320 0.000 0.000 0.208 488 K C 2.176 178.799 176.600 0.038 0.000 1.048 488 K CA 1.115 57.417 56.287 0.024 0.000 0.928 488 K CB -0.133 32.372 32.500 0.008 0.000 0.713 488 K HN 0.110 nan 8.250 nan 0.000 0.442 489 L N 0.735 121.979 121.223 0.034 0.000 2.017 489 L HA -0.180 4.160 4.340 0.000 0.000 0.208 489 L C 2.104 179.040 176.870 0.111 0.000 1.073 489 L CA 1.194 56.073 54.840 0.065 0.000 0.745 489 L CB -0.156 41.928 42.059 0.041 0.000 0.894 489 L HN 0.036 nan 8.230 nan 0.000 0.432 490 V N -0.109 119.858 119.914 0.088 0.000 2.358 490 V HA -0.296 3.824 4.120 0.000 0.000 0.246 490 V C 2.454 178.603 176.094 0.090 0.000 1.047 490 V CA 1.988 64.343 62.300 0.092 0.000 1.035 490 V CB -0.639 31.226 31.823 0.070 0.000 0.658 490 V HN 0.554 nan 8.190 nan 0.000 0.452 491 Q N 0.018 119.861 119.800 0.071 0.000 2.124 491 Q HA -0.151 4.189 4.340 0.000 0.000 0.202 491 Q C 2.430 178.473 176.000 0.071 0.000 0.977 491 Q CA 1.721 57.561 55.803 0.061 0.000 0.850 491 Q CB -0.442 28.323 28.738 0.044 0.000 0.901 491 Q HN 0.669 nan 8.270 nan 0.000 0.429 492 A N 1.044 123.915 122.820 0.085 0.000 1.877 492 A HA -0.161 4.159 4.320 0.000 0.000 0.216 492 A C 2.093 179.752 177.584 0.125 0.000 1.186 492 A CA 1.131 53.225 52.037 0.096 0.000 0.620 492 A CB -0.705 18.367 19.000 0.120 0.000 0.822 492 A HN 0.283 nan 8.150 nan 0.000 0.443 493 L N -1.081 120.247 121.223 0.175 0.000 2.046 493 L HA -0.160 4.180 4.340 0.000 0.000 0.208 493 L C 2.672 179.695 176.870 0.255 0.000 1.077 493 L CA 1.014 56.006 54.840 0.254 0.000 0.747 493 L CB -0.453 41.732 42.059 0.210 0.000 0.896 493 L HN 0.263 nan 8.230 nan 0.000 0.432 494 R N 0.414 121.008 120.500 0.156 0.000 2.285 494 R HA -0.115 4.225 4.340 0.000 0.000 0.213 494 R C 1.864 178.193 176.300 0.048 0.000 1.068 494 R CA 0.727 56.895 56.100 0.113 0.000 1.004 494 R CB -0.358 29.992 30.300 0.084 0.000 0.873 494 R HN 0.567 nan 8.270 nan 0.000 0.467 495 E N 0.083 120.298 120.200 0.026 0.000 2.150 495 E HA -0.149 4.201 4.350 0.000 0.000 0.193 495 E C 1.469 178.001 176.600 -0.113 0.000 0.985 495 E CA 0.767 57.149 56.400 -0.030 0.000 0.814 495 E CB 0.224 29.909 29.700 -0.025 0.000 0.752 495 E HN 0.236 nan 8.360 nan 0.000 0.466 496 Q N -0.956 118.724 119.800 -0.200 0.000 2.391 496 Q HA 0.141 4.481 4.340 0.000 0.000 0.243 496 Q C -0.217 175.319 176.000 -0.773 0.000 0.874 496 Q CA 0.365 55.849 55.803 -0.531 0.000 0.950 496 Q CB 0.734 29.000 28.738 -0.787 0.000 1.103 496 Q HN 0.131 nan 8.270 nan 0.000 0.544 497 F N 2.128 122.073 119.950 -0.009 0.000 2.434 497 F HA 0.426 4.953 4.527 0.000 0.000 0.355 497 F C -2.127 173.689 175.800 0.026 0.000 1.115 497 F CA -2.657 55.349 58.000 0.010 0.000 1.010 497 F CB 1.350 40.360 39.000 0.017 0.000 1.234 497 F HN -0.193 nan 8.300 nan 0.000 0.439 498 P HA 0.133 nan 4.420 nan 0.000 0.272 498 P C -2.357 175.018 177.300 0.124 0.000 1.230 498 P CA -0.956 62.200 63.100 0.093 0.000 0.788 498 P CB 0.019 31.748 31.700 0.048 0.000 0.949 499 P HA 0.063 nan 4.420 nan 0.000 0.272 499 P C -0.693 176.660 177.300 0.088 0.000 1.240 499 P CA -0.125 63.042 63.100 0.112 0.000 0.791 499 P CB 0.493 32.243 31.700 0.084 0.000 0.978 500 L N 1.944 123.224 121.223 0.094 0.000 2.358 500 L HA 0.154 4.494 4.340 0.000 0.000 0.274 500 L C 1.291 178.171 176.870 0.016 0.000 1.136 500 L CA 0.432 55.277 54.840 0.008 0.000 0.970 500 L CB -0.655 41.329 42.059 -0.125 0.000 1.314 500 L HN 0.306 nan 8.230 nan 0.000 0.427 501 E N 1.040 121.250 120.200 0.017 0.000 2.230 501 E HA 0.027 4.377 4.350 0.000 0.000 0.192 501 E C 0.198 176.810 176.600 0.019 0.000 0.987 501 E CA 0.466 56.879 56.400 0.022 0.000 0.841 501 E CB 0.409 30.121 29.700 0.021 0.000 0.783 501 E HN 0.564 nan 8.360 nan 0.000 0.481 502 T N 0.293 114.848 114.554 0.001 0.000 2.889 502 T HA 0.105 4.455 4.350 0.000 0.000 0.315 502 T C -1.774 172.906 174.700 -0.033 0.000 1.291 502 T CA -0.984 61.116 62.100 -0.000 0.000 1.028 502 T CB 1.365 70.234 68.868 0.002 0.000 1.235 502 T HN -0.212 nan 8.240 nan 0.000 0.491 503 D N 2.891 123.267 120.400 -0.040 0.000 2.525 503 D HA 0.290 4.930 4.640 0.000 0.000 0.235 503 D C 0.610 176.869 176.300 -0.067 0.000 1.137 503 D CA 0.738 54.693 54.000 -0.075 0.000 0.868 503 D CB 0.356 41.118 40.800 -0.064 0.000 1.180 503 D HN 0.684 nan 8.370 nan 0.000 0.465 504 R N 0.354 120.802 120.500 -0.087 0.000 2.692 504 R HA 0.606 4.946 4.340 0.000 0.000 0.269 504 R C -3.159 173.105 176.300 -0.060 0.000 1.030 504 R CA -1.686 54.378 56.100 -0.059 0.000 0.882 504 R CB 0.364 30.639 30.300 -0.042 0.000 1.250 504 R HN 0.005 nan 8.270 nan 0.000 0.465 505 P HA 0.136 nan 4.420 nan 0.000 0.267 505 P C -0.271 177.022 177.300 -0.012 0.000 1.205 505 P CA -0.250 62.836 63.100 -0.024 0.000 0.765 505 P CB 0.602 32.294 31.700 -0.012 0.000 0.828 506 L N 1.666 122.883 121.223 -0.009 0.000 2.664 506 L HA 0.173 4.513 4.340 0.000 0.000 0.233 506 L C 2.306 179.197 176.870 0.034 0.000 1.113 506 L CA 0.375 55.227 54.840 0.020 0.000 0.896 506 L CB -0.325 41.746 42.059 0.020 0.000 1.163 506 L HN 0.531 nan 8.230 nan 0.000 0.497 507 G N 0.278 109.091 108.800 0.022 0.000 2.529 507 G HA2 -0.311 3.649 3.960 0.000 0.000 0.219 507 G HA3 -0.311 3.649 3.960 0.000 0.000 0.219 507 G C 1.414 176.332 174.900 0.031 0.000 1.177 507 G CA 0.778 45.891 45.100 0.022 0.000 0.773 507 G HN 0.381 nan 8.290 nan 0.000 0.573 508 Q N -0.170 119.653 119.800 0.039 0.000 2.119 508 Q HA -0.046 4.294 4.340 0.000 0.000 0.201 508 Q C 2.523 178.578 176.000 0.092 0.000 0.972 508 Q CA 1.185 57.018 55.803 0.051 0.000 0.847 508 Q CB -0.071 28.692 28.738 0.042 0.000 0.903 508 Q HN 0.622 nan 8.270 nan 0.000 0.433 509 E N 0.551 120.826 120.200 0.124 0.000 2.106 509 E HA -0.149 4.201 4.350 0.000 0.000 0.192 509 E C 1.915 178.557 176.600 0.070 0.000 0.984 509 E CA 0.746 57.289 56.400 0.238 0.000 0.806 509 E CB -0.006 29.862 29.700 0.280 0.000 0.750 509 E HN 0.336 nan 8.360 nan 0.000 0.458 510 I N 1.078 121.651 120.570 0.005 0.000 2.179 510 I HA -0.282 3.888 4.170 0.000 0.000 0.242 510 I C 2.514 178.604 176.117 -0.046 0.000 1.088 510 I CA 1.032 62.297 61.300 -0.058 0.000 1.357 510 I CB -0.259 37.729 38.000 -0.020 0.000 1.051 510 I HN 0.092 nan 8.210 nan 0.000 0.409 511 A N 0.598 123.420 122.820 0.003 0.000 1.902 511 A HA -0.143 4.177 4.320 0.000 0.000 0.217 511 A C 2.528 180.127 177.584 0.027 0.000 1.181 511 A CA 1.799 53.842 52.037 0.010 0.000 0.623 511 A CB -0.832 18.181 19.000 0.022 0.000 0.818 511 A HN 0.429 nan 8.150 nan 0.000 0.443 512 A N -0.625 122.241 122.820 0.076 0.000 1.902 512 A HA -0.013 4.307 4.320 0.000 0.000 0.217 512 A C 2.120 179.788 177.584 0.140 0.000 1.181 512 A CA 1.724 53.839 52.037 0.131 0.000 0.623 512 A CB -0.581 18.548 19.000 0.215 0.000 0.818 512 A HN 0.618 nan 8.150 nan 0.000 0.443 513 L N -0.242 121.014 121.223 0.055 0.000 2.056 513 L HA -0.005 4.335 4.340 0.000 0.000 0.207 513 L C 2.686 179.472 176.870 -0.139 0.000 1.078 513 L CA 2.037 56.809 54.840 -0.113 0.000 0.749 513 L CB -0.920 40.819 42.059 -0.533 0.000 0.901 513 L HN 0.349 nan 8.230 nan 0.000 0.433 514 A N -1.482 121.253 122.820 -0.141 0.000 1.908 514 A HA -0.248 4.072 4.320 0.000 0.000 0.218 514 A C 2.267 179.791 177.584 -0.101 0.000 1.181 514 A CA 2.452 54.397 52.037 -0.153 0.000 0.627 514 A CB -1.288 17.654 19.000 -0.097 0.000 0.818 514 A HN 0.504 nan 8.150 nan 0.000 0.445 515 T N -1.404 113.135 114.554 -0.025 0.000 2.759 515 T HA -0.190 4.160 4.350 0.000 0.000 0.269 515 T C 1.849 176.558 174.700 0.015 0.000 1.042 515 T CA 1.983 64.088 62.100 0.009 0.000 1.140 515 T CB -0.403 68.489 68.868 0.041 0.000 0.864 515 T HN 0.808 nan 8.240 nan 0.000 0.455 516 H N 1.054 120.084 119.070 -0.068 0.000 2.326 516 H HA 0.130 4.686 4.556 0.000 0.000 0.301 516 H C 2.005 177.261 175.328 -0.119 0.000 1.081 516 H CA 1.160 57.173 56.048 -0.058 0.000 1.334 516 H CB -0.490 29.261 29.762 -0.019 0.000 1.385 516 H HN 0.242 nan 8.280 nan 0.000 0.504 517 L N -0.006 121.020 121.223 -0.328 0.000 2.127 517 L HA -0.173 4.167 4.340 0.000 0.000 0.211 517 L C 2.267 178.977 176.870 -0.266 0.000 1.089 517 L CA 0.995 55.505 54.840 -0.550 0.000 0.757 517 L CB -0.488 41.063 42.059 -0.846 0.000 0.899 517 L HN 0.330 nan 8.230 nan 0.000 0.434 518 L N -0.807 120.304 121.223 -0.186 0.000 2.376 518 L HA -0.153 4.187 4.340 0.000 0.000 0.219 518 L C 2.191 179.036 176.870 -0.042 0.000 1.133 518 L CA 0.958 55.757 54.840 -0.068 0.000 0.816 518 L CB -0.199 41.852 42.059 -0.014 0.000 0.933 518 L HN 0.383 nan 8.230 nan 0.000 0.449 519 Q N -1.581 118.101 119.800 -0.197 0.000 2.316 519 Q HA 0.201 4.541 4.340 0.000 0.000 0.235 519 Q C -0.001 175.578 176.000 -0.702 0.000 0.863 519 Q CA 0.074 55.725 55.803 -0.252 0.000 0.939 519 Q CB 1.064 29.761 28.738 -0.069 0.000 1.108 519 Q HN 0.432 nan 8.270 nan 0.000 0.522 520 Q N 0.023 119.381 119.800 -0.736 0.000 2.379 520 Q HA 0.469 4.809 4.340 0.000 0.000 0.278 520 Q C -1.246 174.632 176.000 -0.202 0.000 1.068 520 Q CA -0.412 55.030 55.803 -0.601 0.000 0.816 520 Q CB 2.698 31.198 28.738 -0.396 0.000 1.387 520 Q HN -0.052 nan 8.270 nan 0.000 0.413 521 S N 2.119 117.760 115.700 -0.098 0.000 2.687 521 S HA 0.572 5.042 4.470 0.000 0.000 0.283 521 S C -2.388 171.987 174.600 -0.376 0.000 1.170 521 S CA -1.131 56.959 58.200 -0.184 0.000 1.008 521 S CB 0.879 64.027 63.200 -0.086 0.000 1.026 521 S HN 0.423 nan 8.310 nan 0.000 0.541 522 P HA 0.343 nan 4.420 nan 0.000 0.282 522 P C -0.795 176.302 177.300 -0.339 0.000 1.274 522 P CA -0.183 62.501 63.100 -0.693 0.000 0.770 522 P CB 0.523 31.528 31.700 -1.159 0.000 0.867 523 V N 0.000 119.812 119.914 -0.169 0.000 2.409 523 V HA 0.000 4.120 4.120 0.000 0.000 0.244 523 V CA 0.000 62.238 62.300 -0.103 0.000 1.235 523 V CB 0.000 31.777 31.823 -0.076 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556