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 2o7b_1_F DATA FIRST_RESID 8 DATA SEQUENCE KPAVELDRHI DLDQAHAVAS GGARIVLAPP ARDRCRASEA RLGAVIREAR DATA SEQUENCE HVYGLTTGFG PLANRLISGE NVRTLQANLV HHLASGVGPV LDWTTARAMV DATA SEQUENCE LARLVSIAQG ASGASEGTIA RLIDLLNSEL APAVPSRGTV GXXXDLTPLA DATA SEQUENCE HMVLCLQGRG DFLDRDGTRL DGAEGLRRGR LQPLDLSHRD ALALVNGTSA DATA SEQUENCE MTGIALVNAH ACRHLGNWAV ALTALLAECL RGRTEAWAAA LSDLRPHPGQ DATA SEQUENCE KDAAARLRAR VDGSARVVRH VIAERRLDAG DIGTEPEAGQ DAYSLRCAPQ DATA SEQUENCE VLGAGFDTLA WHDRVLTIEL NAVTDNPVFP PDGSVPALHG GNFMGQHVAL DATA SEQUENCE TSDALATAVT VLAGLAERQI ARLTDERLNR GLPPFLHRGP AGLNSGFMGA DATA SEQUENCE QVTATALLAE MRATGPASIH SISTNAANQD VVSLGTIAAR LCREKIDRWA DATA SEQUENCE EILAILALCL AQAAELRCGS GLDGVSPAGK KLVQALREQF PPLETDRPLG DATA SEQUENCE QEIAALATHL LQQSPV VARS RESID RESNAME ATOMNAME SS_SHIFT SHIFT RC_SHIFT HM_SHIFT EF_SHIFT SIGMA FORMAT %4d %4s %4s %9.3f %9.3f %9.3f %9.3f %9.3f %9.3f 8 K HA 0.000 nan 4.320 nan 0.000 0.191 8 K C 0.000 176.611 176.600 0.018 0.000 0.988 8 K CA 0.000 56.299 56.287 0.020 0.000 0.838 8 K CB 0.000 32.515 32.500 0.025 0.000 1.064 9 P HA 0.137 nan 4.420 nan 0.000 0.266 9 P C -1.242 176.067 177.300 0.015 0.000 1.193 9 P CA -0.120 62.992 63.100 0.019 0.000 0.770 9 P CB 0.578 32.293 31.700 0.025 0.000 0.836 10 A N 2.301 125.128 122.820 0.012 0.000 2.342 10 A HA 0.554 4.874 4.320 0.000 0.000 0.323 10 A C -0.836 176.752 177.584 0.007 0.000 1.125 10 A CA -0.600 51.441 52.037 0.008 0.000 0.785 10 A CB 1.135 20.138 19.000 0.006 0.000 1.221 10 A HN 0.351 nan 8.150 nan 0.000 0.463 11 V N 2.510 122.425 119.914 0.002 0.000 2.347 11 V HA 0.273 4.393 4.120 0.000 0.000 0.280 11 V C 0.233 176.326 176.094 -0.003 0.000 1.021 11 V CA -0.353 61.947 62.300 0.000 0.000 0.847 11 V CB 1.196 33.015 31.823 -0.007 0.000 0.990 11 V HN 0.974 nan 8.190 nan 0.000 0.444 12 E N 4.592 124.793 120.200 0.002 0.000 2.130 12 E HA 0.356 4.707 4.350 0.000 0.000 0.284 12 E C -0.911 175.689 176.600 -0.000 0.000 1.018 12 E CA -0.775 55.625 56.400 0.001 0.000 0.817 12 E CB 1.280 30.983 29.700 0.005 0.000 1.078 12 E HN 0.560 nan 8.360 nan 0.000 0.396 13 L N 5.642 126.861 121.223 -0.007 0.000 2.261 13 L HA 0.272 4.612 4.340 0.000 0.000 0.289 13 L C -0.199 176.669 176.870 -0.003 0.000 1.059 13 L CA 0.425 55.259 54.840 -0.010 0.000 0.816 13 L CB 1.123 43.170 42.059 -0.021 0.000 1.191 13 L HN 0.722 nan 8.230 nan 0.000 0.431 14 D N 2.979 123.383 120.400 0.006 0.000 3.094 14 D HA 0.172 4.813 4.640 0.000 0.000 0.267 14 D C 1.337 177.646 176.300 0.015 0.000 1.542 14 D CA 0.883 54.889 54.000 0.011 0.000 1.157 14 D CB 0.705 41.516 40.800 0.018 0.000 1.098 14 D HN 0.601 nan 8.370 nan 0.000 0.340 15 R N -1.830 118.690 120.500 0.033 0.000 2.320 15 R HA 0.225 4.565 4.340 0.000 0.000 0.193 15 R C 0.160 176.502 176.300 0.070 0.000 0.885 15 R CA -0.194 55.932 56.100 0.043 0.000 1.085 15 R CB 0.729 31.059 30.300 0.050 0.000 1.253 15 R HN 0.185 nan 8.270 nan 0.000 0.636 16 H N 0.314 119.377 119.070 -0.012 0.000 2.538 16 H HA 0.569 5.125 4.556 0.000 0.000 0.353 16 H C -1.462 173.859 175.328 -0.010 0.000 1.109 16 H CA -0.706 55.334 56.048 -0.013 0.000 1.192 16 H CB 1.551 31.306 29.762 -0.012 0.000 1.555 16 H HN 0.003 nan 8.280 nan 0.000 0.518 17 I N 4.353 124.602 120.570 -0.534 0.000 2.619 17 I HA 0.264 4.434 4.170 0.000 0.000 0.292 17 I C -1.160 174.716 176.117 -0.402 0.000 1.100 17 I CA -0.870 60.257 61.300 -0.288 0.000 1.043 17 I CB 1.507 39.408 38.000 -0.166 0.000 1.239 17 I HN 0.842 nan 8.210 nan 0.000 0.420 18 D N 5.980 126.311 120.400 -0.115 0.000 2.387 18 D HA 0.215 4.855 4.640 0.000 0.000 0.251 18 D C 0.990 177.276 176.300 -0.024 0.000 1.141 18 D CA -0.569 53.414 54.000 -0.027 0.000 0.987 18 D CB 0.995 41.847 40.800 0.086 0.000 1.116 18 D HN 0.502 nan 8.370 nan 0.000 0.491 19 L N -0.356 120.873 121.223 0.010 0.000 2.079 19 L HA -0.150 4.190 4.340 0.000 0.000 0.210 19 L C 1.483 178.396 176.870 0.073 0.000 1.081 19 L CA 1.373 56.234 54.840 0.035 0.000 0.752 19 L CB -0.458 41.631 42.059 0.051 0.000 0.896 19 L HN 0.453 nan 8.230 nan 0.000 0.433 20 D N -0.229 120.215 120.400 0.073 0.000 2.117 20 D HA -0.171 4.469 4.640 0.000 0.000 0.198 20 D C 2.329 178.678 176.300 0.081 0.000 0.982 20 D CA 1.083 55.143 54.000 0.099 0.000 0.828 20 D CB -0.111 40.737 40.800 0.080 0.000 0.967 20 D HN 0.388 nan 8.370 nan 0.000 0.464 21 Q N 0.327 120.154 119.800 0.046 0.000 2.084 21 Q HA -0.072 4.268 4.340 0.000 0.000 0.202 21 Q C 2.203 178.205 176.000 0.005 0.000 0.978 21 Q CA 1.362 57.179 55.803 0.023 0.000 0.844 21 Q CB -0.097 28.645 28.738 0.007 0.000 0.898 21 Q HN 0.202 nan 8.270 nan 0.000 0.426 22 A N 0.817 123.636 122.820 -0.001 0.000 1.902 22 A HA -0.241 4.079 4.320 0.000 0.000 0.217 22 A C 1.957 179.525 177.584 -0.026 0.000 1.181 22 A CA 1.616 53.639 52.037 -0.024 0.000 0.623 22 A CB -0.823 18.162 19.000 -0.025 0.000 0.818 22 A HN 0.448 nan 8.150 nan 0.000 0.443 23 H N -0.030 118.993 119.070 -0.080 0.000 2.423 23 H HA 0.021 4.577 4.556 0.000 0.000 0.297 23 H C 2.255 177.500 175.328 -0.138 0.000 1.075 23 H CA 1.443 57.404 56.048 -0.145 0.000 1.342 23 H CB -0.157 29.432 29.762 -0.289 0.000 1.395 23 H HN 0.407 nan 8.280 nan 0.000 0.530 24 A N 0.489 123.305 122.820 -0.007 0.000 1.908 24 A HA -0.114 4.206 4.320 0.000 0.000 0.218 24 A C 2.828 180.372 177.584 -0.066 0.000 1.181 24 A CA 1.697 53.730 52.037 -0.007 0.000 0.627 24 A CB -0.851 18.171 19.000 0.036 0.000 0.818 24 A HN 0.294 nan 8.150 nan 0.000 0.445 25 V N -0.383 119.482 119.914 -0.080 0.000 2.323 25 V HA -0.167 3.953 4.120 0.000 0.000 0.244 25 V C 3.047 179.044 176.094 -0.162 0.000 1.041 25 V CA 1.770 64.015 62.300 -0.092 0.000 1.025 25 V CB -1.190 30.585 31.823 -0.080 0.000 0.656 25 V HN 0.600 nan 8.190 nan 0.000 0.451 26 A N 0.769 123.455 122.820 -0.223 0.000 1.933 26 A HA -0.190 4.130 4.320 0.000 0.000 0.218 26 A C 2.388 179.756 177.584 -0.361 0.000 1.175 26 A CA 2.187 54.039 52.037 -0.308 0.000 0.628 26 A CB -0.620 18.208 19.000 -0.286 0.000 0.814 26 A HN 0.690 nan 8.150 nan 0.000 0.444 27 S N -2.108 113.403 115.700 -0.314 0.000 2.593 27 S HA 0.375 4.845 4.470 0.000 0.000 0.217 27 S C 1.405 176.134 174.600 0.215 0.000 0.966 27 S CA 1.034 59.197 58.200 -0.061 0.000 0.914 27 S CB -0.264 62.789 63.200 -0.245 0.000 0.776 27 S HN 1.921 nan 8.310 nan 0.000 0.523 28 G N 0.394 109.243 108.800 0.080 0.000 2.159 28 G HA2 -0.225 3.735 3.960 0.000 0.000 0.256 28 G HA3 -0.225 3.735 3.960 0.000 0.000 0.256 28 G C 0.884 175.851 174.900 0.111 0.000 0.977 28 G CA 0.165 45.371 45.100 0.176 0.000 0.652 28 G HN 0.950 nan 8.290 nan 0.000 0.531 29 G N -0.246 108.594 108.800 0.067 0.000 2.448 29 G HA2 0.516 4.476 3.960 0.000 0.000 0.218 29 G HA3 0.516 4.476 3.960 0.000 0.000 0.218 29 G C 0.731 175.656 174.900 0.043 0.000 1.135 29 G CA 1.788 46.924 45.100 0.061 0.000 0.784 29 G HN 1.810 nan 8.290 nan 0.000 0.543 30 A N -0.247 122.588 122.820 0.025 0.000 2.454 30 A HA 0.750 5.070 4.320 0.000 0.000 0.302 30 A C 0.061 177.648 177.584 0.005 0.000 1.079 30 A CA -0.896 51.151 52.037 0.017 0.000 0.731 30 A CB 1.293 20.301 19.000 0.013 0.000 1.299 30 A HN 0.412 nan 8.150 nan 0.000 0.413 31 R N 0.943 121.447 120.500 0.006 0.000 2.553 31 R HA 0.811 5.151 4.340 0.000 0.000 0.263 31 R C -0.864 175.431 176.300 -0.009 0.000 1.066 31 R CA -0.520 55.579 56.100 -0.001 0.000 1.135 31 R CB 0.962 31.264 30.300 0.004 0.000 1.148 31 R HN 0.630 nan 8.270 nan 0.000 0.558 32 I N 1.344 121.904 120.570 -0.016 0.000 2.545 32 I HA 0.404 4.574 4.170 0.000 0.000 0.292 32 I C -1.107 175.001 176.117 -0.015 0.000 1.040 32 I CA -1.184 60.105 61.300 -0.019 0.000 1.068 32 I CB 2.189 40.170 38.000 -0.031 0.000 1.251 32 I HN 0.636 nan 8.210 nan 0.000 0.424 33 V N 5.062 124.969 119.914 -0.012 0.000 2.789 33 V HA 0.568 4.688 4.120 0.000 0.000 0.311 33 V C -1.133 174.955 176.094 -0.011 0.000 1.073 33 V CA -0.891 61.403 62.300 -0.010 0.000 0.921 33 V CB 1.712 33.532 31.823 -0.006 0.000 1.009 33 V HN 0.667 nan 8.190 nan 0.000 0.426 34 L N 4.736 125.952 121.223 -0.011 0.000 2.278 34 L HA 0.802 5.142 4.340 0.000 0.000 0.287 34 L C 0.822 177.687 176.870 -0.008 0.000 1.072 34 L CA 0.361 55.194 54.840 -0.011 0.000 0.819 34 L CB 0.556 42.607 42.059 -0.014 0.000 1.176 34 L HN 1.135 nan 8.230 nan 0.000 0.435 35 A N 6.901 129.718 122.820 -0.005 0.000 2.445 35 A HA 0.379 4.699 4.320 0.000 0.000 0.242 35 A C -1.582 176.000 177.584 -0.003 0.000 1.075 35 A CA -0.803 51.233 52.037 -0.002 0.000 0.777 35 A CB -0.307 18.694 19.000 0.001 0.000 1.013 35 A HN 0.785 nan 8.150 nan 0.000 0.493 36 P HA -0.162 nan 4.420 nan 0.000 0.216 36 P C -1.447 175.851 177.300 -0.004 0.000 1.157 36 P CA 1.923 65.021 63.100 -0.004 0.000 0.880 36 P CB -0.782 30.917 31.700 -0.003 0.000 0.791 37 P HA -0.152 nan 4.420 nan 0.000 0.216 37 P C 1.380 178.679 177.300 -0.001 0.000 1.150 37 P CA 1.999 65.099 63.100 -0.000 0.000 0.837 37 P CB -0.595 31.107 31.700 0.003 0.000 0.786 38 A N -0.329 122.490 122.820 -0.002 0.000 1.897 38 A HA -0.168 4.152 4.320 0.000 0.000 0.215 38 A C 2.401 179.980 177.584 -0.008 0.000 1.181 38 A CA 1.370 53.404 52.037 -0.004 0.000 0.620 38 A CB -1.110 17.887 19.000 -0.005 0.000 0.821 38 A HN 0.005 nan 8.150 nan 0.000 0.443 39 R N -0.216 120.278 120.500 -0.010 0.000 2.083 39 R HA -0.181 4.159 4.340 0.000 0.000 0.237 39 R C 1.399 177.690 176.300 -0.016 0.000 1.137 39 R CA 1.999 58.091 56.100 -0.015 0.000 0.951 39 R CB -0.344 29.947 30.300 -0.014 0.000 0.851 39 R HN 0.447 nan 8.270 nan 0.000 0.434 40 D N 0.082 120.476 120.400 -0.011 0.000 2.117 40 D HA -0.181 4.459 4.640 0.000 0.000 0.198 40 D C 1.994 178.288 176.300 -0.010 0.000 0.982 40 D CA 1.585 55.579 54.000 -0.011 0.000 0.828 40 D CB -0.234 40.562 40.800 -0.007 0.000 0.967 40 D HN 0.471 nan 8.370 nan 0.000 0.464 41 R N 0.313 120.809 120.500 -0.006 0.000 2.148 41 R HA 0.005 4.345 4.340 0.000 0.000 0.227 41 R C 2.026 178.322 176.300 -0.006 0.000 1.103 41 R CA 1.053 57.151 56.100 -0.003 0.000 0.983 41 R CB -0.803 29.499 30.300 0.002 0.000 0.874 41 R HN 0.096 nan 8.270 nan 0.000 0.451 42 C N 0.736 120.029 119.300 -0.012 0.000 2.457 42 C HA 0.170 4.630 4.460 0.000 0.000 0.278 42 C C 2.607 177.576 174.990 -0.035 0.000 1.309 42 C CA 0.325 59.331 59.018 -0.020 0.000 1.735 42 C CB -0.766 26.960 27.740 -0.023 0.000 1.992 42 C HN 0.528 nan 8.230 nan 0.000 0.493 43 R N 1.053 121.533 120.500 -0.035 0.000 2.096 43 R HA -0.087 4.253 4.340 0.000 0.000 0.235 43 R C 2.357 178.632 176.300 -0.041 0.000 1.127 43 R CA 1.534 57.608 56.100 -0.043 0.000 0.968 43 R CB -0.382 29.898 30.300 -0.034 0.000 0.861 43 R HN 0.540 nan 8.270 nan 0.000 0.440 44 A N 0.052 122.856 122.820 -0.028 0.000 1.898 44 A HA -0.161 4.159 4.320 0.000 0.000 0.216 44 A C 2.155 179.719 177.584 -0.032 0.000 1.181 44 A CA 1.753 53.776 52.037 -0.023 0.000 0.620 44 A CB -0.538 18.456 19.000 -0.009 0.000 0.819 44 A HN 0.282 nan 8.150 nan 0.000 0.442 45 S N -0.870 114.812 115.700 -0.030 0.000 2.402 45 S HA -0.174 4.296 4.470 0.000 0.000 0.229 45 S C 2.003 176.538 174.600 -0.108 0.000 1.021 45 S CA 1.483 59.660 58.200 -0.039 0.000 0.974 45 S CB -0.305 62.897 63.200 0.003 0.000 0.800 45 S HN 0.684 nan 8.310 nan 0.000 0.484 46 E N 0.352 120.493 120.200 -0.098 0.000 2.110 46 E HA -0.108 4.242 4.350 0.000 0.000 0.193 46 E C 2.047 178.576 176.600 -0.119 0.000 0.988 46 E CA 1.012 57.336 56.400 -0.127 0.000 0.804 46 E CB -0.321 29.303 29.700 -0.126 0.000 0.745 46 E HN 0.589 nan 8.360 nan 0.000 0.458 47 A N 1.299 124.067 122.820 -0.086 0.000 1.898 47 A HA -0.137 4.183 4.320 0.000 0.000 0.216 47 A C 2.155 179.688 177.584 -0.084 0.000 1.181 47 A CA 1.173 53.171 52.037 -0.065 0.000 0.620 47 A CB -0.381 18.594 19.000 -0.041 0.000 0.819 47 A HN 0.164 nan 8.150 nan 0.000 0.442 48 R N -1.122 119.316 120.500 -0.104 0.000 2.081 48 R HA -0.118 4.222 4.340 0.000 0.000 0.235 48 R C 2.111 178.269 176.300 -0.237 0.000 1.131 48 R CA 1.444 57.473 56.100 -0.119 0.000 0.960 48 R CB -0.600 29.653 30.300 -0.078 0.000 0.856 48 R HN 0.505 nan 8.270 nan 0.000 0.436 49 L N 0.560 121.548 121.223 -0.392 0.000 2.046 49 L HA -0.032 4.309 4.340 0.000 0.000 0.208 49 L C 2.131 178.863 176.870 -0.230 0.000 1.077 49 L CA 2.127 56.650 54.840 -0.529 0.000 0.747 49 L CB -0.976 40.769 42.059 -0.525 0.000 0.896 49 L HN 0.162 nan 8.230 nan 0.000 0.432 50 G N -1.038 107.681 108.800 -0.136 0.000 2.442 50 G HA2 -0.259 3.701 3.960 0.000 0.000 0.219 50 G HA3 -0.259 3.701 3.960 0.000 0.000 0.219 50 G C 1.579 176.453 174.900 -0.043 0.000 1.141 50 G CA 0.821 45.887 45.100 -0.057 0.000 0.763 50 G HN 0.651 nan 8.290 nan 0.000 0.554 51 A N 0.013 122.803 122.820 -0.050 0.000 1.930 51 A HA 0.152 4.472 4.320 0.000 0.000 0.217 51 A C 2.570 180.151 177.584 -0.004 0.000 1.175 51 A CA 1.589 53.614 52.037 -0.020 0.000 0.627 51 A CB -0.516 18.475 19.000 -0.014 0.000 0.815 51 A HN 0.237 nan 8.150 nan 0.000 0.443 52 V N 0.222 120.125 119.914 -0.018 0.000 2.407 52 V HA -0.257 3.863 4.120 0.000 0.000 0.248 52 V C 2.377 178.499 176.094 0.047 0.000 1.055 52 V CA 2.016 64.339 62.300 0.039 0.000 1.049 52 V CB -0.585 31.279 31.823 0.069 0.000 0.662 52 V HN 0.572 nan 8.190 nan 0.000 0.455 53 I N -0.532 120.046 120.570 0.014 0.000 2.233 53 I HA -0.185 3.985 4.170 0.000 0.000 0.243 53 I C 2.705 178.834 176.117 0.019 0.000 1.093 53 I CA 1.418 62.732 61.300 0.023 0.000 1.380 53 I CB -0.443 37.561 38.000 0.007 0.000 1.067 53 I HN 0.189 nan 8.210 nan 0.000 0.413 54 R N 1.474 121.980 120.500 0.010 0.000 2.091 54 R HA -0.204 4.137 4.340 0.000 0.000 0.238 54 R C 1.706 178.015 176.300 0.016 0.000 1.136 54 R CA 1.769 57.874 56.100 0.009 0.000 0.959 54 R CB -0.082 30.221 30.300 0.004 0.000 0.856 54 R HN 0.428 nan 8.270 nan 0.000 0.437 55 E N -0.574 119.640 120.200 0.024 0.000 2.502 55 E HA 0.086 4.436 4.350 0.000 0.000 0.194 55 E C 0.380 177.004 176.600 0.039 0.000 1.062 55 E CA 0.396 56.815 56.400 0.031 0.000 0.867 55 E CB 0.438 30.161 29.700 0.038 0.000 0.888 55 E HN 0.466 nan 8.360 nan 0.000 0.510 56 A N 2.040 124.885 122.820 0.041 0.000 2.822 56 A HA -0.226 4.094 4.320 0.000 0.000 0.287 56 A C 0.099 177.725 177.584 0.070 0.000 1.479 56 A CA 0.557 52.621 52.037 0.045 0.000 0.779 56 A CB -1.386 17.629 19.000 0.025 0.000 1.022 56 A HN 0.142 nan 8.150 nan 0.000 0.532 57 R N 0.190 120.748 120.500 0.097 0.000 2.623 57 R HA 0.090 4.430 4.340 0.000 0.000 0.271 57 R C 0.545 176.959 176.300 0.190 0.000 1.043 57 R CA -0.034 56.146 56.100 0.135 0.000 1.083 57 R CB 0.067 30.456 30.300 0.149 0.000 0.974 57 R HN 0.718 nan 8.270 nan 0.000 0.436 58 H N 1.959 121.068 119.070 0.065 0.000 3.160 58 H HA 0.197 4.753 4.556 0.000 0.000 0.257 58 H C -0.925 174.465 175.328 0.104 0.000 1.140 58 H CA -0.353 55.724 56.048 0.048 0.000 1.492 58 H CB 0.194 29.957 29.762 0.003 0.000 1.529 58 H HN 0.047 nan 8.280 nan 0.000 0.490 59 V N 6.641 126.731 119.914 0.292 0.000 2.623 59 V HA -0.004 4.116 4.120 0.000 0.000 0.304 59 V C -0.714 175.585 176.094 0.342 0.000 1.054 59 V CA -0.990 61.511 62.300 0.334 0.000 0.882 59 V CB 1.234 33.257 31.823 0.333 0.000 1.002 59 V HN 0.665 nan 8.190 nan 0.000 0.424 60 Y N 3.988 124.513 120.300 0.374 0.000 2.805 60 Y HA 0.331 4.881 4.550 0.000 0.000 0.331 60 Y C 1.383 177.377 175.900 0.158 0.000 1.241 60 Y CA 1.934 60.158 58.100 0.206 0.000 1.546 60 Y CB 0.493 39.122 38.460 0.282 0.000 1.248 60 Y HN 1.067 nan 8.280 nan 0.000 0.559 61 G N 4.060 112.555 108.800 -0.508 0.000 2.234 61 G HA2 -0.299 3.661 3.960 0.000 0.000 0.260 61 G HA3 -0.299 3.661 3.960 0.000 0.000 0.260 61 G C 0.593 175.479 174.900 -0.022 0.000 0.987 61 G CA 0.580 45.540 45.100 -0.234 0.000 0.625 61 G HN 0.675 nan 8.290 nan 0.000 0.532 62 L N -0.253 120.978 121.223 0.015 0.000 2.547 62 L HA 0.291 4.631 4.340 0.000 0.000 0.218 62 L C 2.168 179.047 176.870 0.015 0.000 1.048 62 L CA 1.519 56.395 54.840 0.060 0.000 0.859 62 L CB 0.457 42.599 42.059 0.138 0.000 1.128 62 L HN 0.431 nan 8.230 nan 0.000 0.483 63 T N -3.864 110.696 114.554 0.010 0.000 3.332 63 T HA 0.195 4.545 4.350 0.000 0.000 0.304 63 T C 0.245 174.912 174.700 -0.054 0.000 0.971 63 T CA 0.070 62.166 62.100 -0.006 0.000 0.954 63 T CB 0.041 68.939 68.868 0.050 0.000 1.175 63 T HN 0.188 nan 8.240 nan 0.000 0.519 64 T N -1.892 112.567 114.554 -0.158 0.000 2.864 64 T HA 0.773 5.123 4.350 0.000 0.000 0.299 64 T C 0.564 174.942 174.700 -0.537 0.000 1.166 64 T CA -0.284 61.681 62.100 -0.224 0.000 1.007 64 T CB 1.449 70.273 68.868 -0.074 0.000 1.219 64 T HN 0.284 nan 8.240 nan 0.000 0.506 65 G N -0.023 108.517 108.800 -0.434 0.000 2.553 65 G HA2 0.555 4.516 3.960 0.000 0.000 0.278 65 G HA3 0.555 4.516 3.960 0.000 0.000 0.278 65 G C -1.061 173.346 174.900 -0.822 0.000 1.349 65 G CA -0.759 44.001 45.100 -0.567 0.000 1.037 65 G HN 0.560 nan 8.290 nan 0.000 0.508 66 F N -0.920 118.998 119.950 -0.053 0.000 2.507 66 F HA 0.607 5.134 4.527 0.000 0.000 0.327 66 F C 1.142 177.055 175.800 0.187 0.000 1.068 66 F CA 0.364 58.401 58.000 0.061 0.000 0.965 66 F CB 1.456 40.506 39.000 0.083 0.000 1.192 66 F HN 1.028 nan 8.300 nan 0.000 0.476 67 G N 2.056 111.168 108.800 0.521 0.000 2.611 67 G HA2 -0.289 3.671 3.960 0.000 0.000 0.301 67 G HA3 -0.289 3.671 3.960 0.000 0.000 0.301 67 G C -1.896 173.116 174.900 0.187 0.000 1.233 67 G CA -0.057 45.202 45.100 0.266 0.000 0.993 67 G HN 0.514 nan 8.290 nan 0.000 0.553 68 P HA 0.162 nan 4.420 nan 0.000 0.230 68 P C 1.692 179.031 177.300 0.064 0.000 1.158 68 P CA 0.709 63.855 63.100 0.077 0.000 0.769 68 P CB -0.061 31.670 31.700 0.052 0.000 0.807 69 L N -1.508 119.755 121.223 0.067 0.000 2.612 69 L HA 0.174 4.514 4.340 0.000 0.000 0.230 69 L C 2.005 178.877 176.870 0.003 0.000 1.140 69 L CA 0.082 54.936 54.840 0.024 0.000 0.896 69 L CB -0.640 41.422 42.059 0.006 0.000 1.065 69 L HN -0.044 nan 8.230 nan 0.000 0.447 70 A N 1.293 124.151 122.820 0.062 0.000 2.172 70 A HA -0.167 4.153 4.320 0.000 0.000 0.216 70 A C 1.978 179.595 177.584 0.056 0.000 1.154 70 A CA 1.373 53.453 52.037 0.071 0.000 0.701 70 A CB -0.502 18.648 19.000 0.251 0.000 0.789 70 A HN 0.649 nan 8.150 nan 0.000 0.465 71 N N -0.600 118.122 118.700 0.037 0.000 2.515 71 N HA -0.037 4.704 4.740 0.000 0.000 0.185 71 N C 0.022 175.521 175.510 -0.018 0.000 1.109 71 N CA 0.228 53.290 53.050 0.021 0.000 0.903 71 N CB -0.173 38.326 38.487 0.019 0.000 0.969 71 N HN 0.166 nan 8.380 nan 0.000 0.450 72 R N 1.115 121.595 120.500 -0.034 0.000 2.205 72 R HA 0.387 4.727 4.340 0.000 0.000 0.342 72 R C -0.163 176.088 176.300 -0.082 0.000 1.058 72 R CA -0.281 55.786 56.100 -0.055 0.000 0.904 72 R CB 0.623 30.889 30.300 -0.055 0.000 1.089 72 R HN 0.157 nan 8.270 nan 0.000 0.471 73 L N 3.860 125.030 121.223 -0.088 0.000 2.417 73 L HA 0.358 4.698 4.340 0.000 0.000 0.268 73 L C 0.167 176.983 176.870 -0.090 0.000 1.158 73 L CA -0.365 54.411 54.840 -0.107 0.000 0.819 73 L CB 0.537 42.513 42.059 -0.138 0.000 1.112 73 L HN 0.340 nan 8.230 nan 0.000 0.458 74 I N 1.192 121.709 120.570 -0.089 0.000 2.474 74 I HA 0.232 4.402 4.170 0.000 0.000 0.294 74 I C 0.274 176.361 176.117 -0.050 0.000 1.005 74 I CA -0.255 61.001 61.300 -0.072 0.000 1.113 74 I CB 1.703 39.648 38.000 -0.091 0.000 1.289 74 I HN 0.519 nan 8.210 nan 0.000 0.436 75 S N 2.941 118.618 115.700 -0.038 0.000 2.580 75 S HA 0.368 4.838 4.470 0.000 0.000 0.274 75 S C 1.451 176.040 174.600 -0.019 0.000 1.329 75 S CA 0.158 58.342 58.200 -0.027 0.000 1.036 75 S CB 1.269 64.456 63.200 -0.023 0.000 0.919 75 S HN 0.881 nan 8.310 nan 0.000 0.515 76 G N 2.836 111.628 108.800 -0.012 0.000 2.469 76 G HA2 -0.250 3.710 3.960 0.000 0.000 0.220 76 G HA3 -0.250 3.710 3.960 0.000 0.000 0.220 76 G C 1.257 176.152 174.900 -0.008 0.000 1.136 76 G CA 1.121 46.217 45.100 -0.007 0.000 0.759 76 G HN 0.898 nan 8.290 nan 0.000 0.562 77 E N 0.807 121.001 120.200 -0.009 0.000 2.409 77 E HA -0.066 4.284 4.350 0.000 0.000 0.198 77 E C 0.960 177.555 176.600 -0.008 0.000 1.024 77 E CA 0.640 57.035 56.400 -0.009 0.000 0.861 77 E CB -0.303 29.392 29.700 -0.009 0.000 0.788 77 E HN 0.383 nan 8.360 nan 0.000 0.521 78 N N 0.665 119.360 118.700 -0.008 0.000 2.203 78 N HA 0.063 4.803 4.740 0.000 0.000 0.207 78 N C 1.452 176.961 175.510 -0.002 0.000 1.130 78 N CA 0.129 53.176 53.050 -0.005 0.000 0.861 78 N CB 0.978 39.460 38.487 -0.009 0.000 1.005 78 N HN 0.020 nan 8.380 nan 0.000 0.507 79 V N 1.047 120.960 119.914 -0.002 0.000 2.407 79 V HA -0.170 3.950 4.120 0.000 0.000 0.248 79 V C 2.374 178.478 176.094 0.016 0.000 1.055 79 V CA 1.303 63.607 62.300 0.007 0.000 1.049 79 V CB -0.211 31.618 31.823 0.010 0.000 0.662 79 V HN 0.199 nan 8.190 nan 0.000 0.455 80 R N 0.394 120.897 120.500 0.005 0.000 2.083 80 R HA -0.120 4.220 4.340 0.000 0.000 0.237 80 R C 2.383 178.683 176.300 -0.000 0.000 1.137 80 R CA 1.977 58.077 56.100 -0.001 0.000 0.951 80 R CB -1.532 28.763 30.300 -0.009 0.000 0.851 80 R HN 0.515 nan 8.270 nan 0.000 0.434 81 T N 2.390 116.949 114.554 0.008 0.000 2.746 81 T HA -0.121 4.229 4.350 0.000 0.000 0.267 81 T C 1.900 176.620 174.700 0.033 0.000 1.039 81 T CA 1.124 63.234 62.100 0.016 0.000 1.142 81 T CB -0.320 68.563 68.868 0.023 0.000 0.866 81 T HN 0.087 nan 8.240 nan 0.000 0.444 82 L N 1.319 122.572 121.223 0.049 0.000 1.990 82 L HA -0.169 4.171 4.340 0.000 0.000 0.213 82 L C 2.411 179.386 176.870 0.175 0.000 1.072 82 L CA 1.863 56.768 54.840 0.108 0.000 0.755 82 L CB -0.623 41.471 42.059 0.059 0.000 0.889 82 L HN 0.263 nan 8.230 nan 0.000 0.432 83 Q N -1.007 118.855 119.800 0.104 0.000 2.230 83 Q HA -0.052 4.288 4.340 0.000 0.000 0.202 83 Q C 2.199 178.149 176.000 -0.083 0.000 0.963 83 Q CA 1.069 56.902 55.803 0.051 0.000 0.866 83 Q CB -0.235 28.528 28.738 0.041 0.000 0.931 83 Q HN 0.707 nan 8.270 nan 0.000 0.452 84 A N 1.666 124.420 122.820 -0.111 0.000 1.898 84 A HA -0.160 4.160 4.320 0.000 0.000 0.216 84 A C 1.733 179.041 177.584 -0.461 0.000 1.181 84 A CA 1.251 53.116 52.037 -0.287 0.000 0.620 84 A CB -0.276 18.601 19.000 -0.207 0.000 0.819 84 A HN 0.250 nan 8.150 nan 0.000 0.442 85 N N -0.209 118.398 118.700 -0.155 0.000 2.396 85 N HA -0.086 4.654 4.740 0.000 0.000 0.180 85 N C 1.507 177.044 175.510 0.044 0.000 1.028 85 N CA 1.094 54.152 53.050 0.013 0.000 0.893 85 N CB -0.424 38.150 38.487 0.145 0.000 0.967 85 N HN 0.456 nan 8.380 nan 0.000 0.440 86 L N 0.765 121.949 121.223 -0.065 0.000 1.994 86 L HA -0.068 4.273 4.340 0.000 0.000 0.208 86 L C 1.914 178.490 176.870 -0.490 0.000 1.071 86 L CA 1.412 56.056 54.840 -0.326 0.000 0.745 86 L CB -0.701 40.994 42.059 -0.606 0.000 0.892 86 L HN -0.125 nan 8.230 nan 0.000 0.431 87 V N -0.190 119.504 119.914 -0.366 0.000 2.343 87 V HA -0.345 3.775 4.120 0.000 0.000 0.247 87 V C 2.402 178.354 176.094 -0.236 0.000 1.051 87 V CA 2.243 64.346 62.300 -0.327 0.000 1.036 87 V CB -1.033 30.622 31.823 -0.280 0.000 0.654 87 V HN 0.624 nan 8.190 nan 0.000 0.451 88 H N -0.401 118.566 119.070 -0.171 0.000 2.270 88 H HA -0.190 4.366 4.556 0.000 0.000 0.299 88 H C 2.379 177.649 175.328 -0.096 0.000 1.077 88 H CA 1.708 57.690 56.048 -0.111 0.000 1.294 88 H CB -0.260 29.483 29.762 -0.031 0.000 1.371 88 H HN 0.665 nan 8.280 nan 0.000 0.491 89 H N 0.682 119.784 119.070 0.053 0.000 2.456 89 H HA -0.071 4.486 4.556 0.000 0.000 0.296 89 H C 1.882 177.186 175.328 -0.041 0.000 1.079 89 H CA 0.948 56.999 56.048 0.004 0.000 1.322 89 H CB -0.254 29.513 29.762 0.009 0.000 1.388 89 H HN 0.332 nan 8.280 nan 0.000 0.538 90 L N 0.948 121.872 121.223 -0.499 0.000 2.395 90 L HA 0.118 4.458 4.340 0.000 0.000 0.218 90 L C 1.892 178.623 176.870 -0.231 0.000 1.130 90 L CA 0.367 54.979 54.840 -0.379 0.000 0.826 90 L CB -0.095 41.665 42.059 -0.499 0.000 0.941 90 L HN 0.279 nan 8.230 nan 0.000 0.451 91 A N 0.048 122.697 122.820 -0.286 0.000 3.029 91 A HA 0.148 4.468 4.320 0.000 0.000 0.251 91 A C 1.248 178.788 177.584 -0.072 0.000 1.749 91 A CA 0.310 52.045 52.037 -0.504 0.000 1.386 91 A CB -0.630 18.028 19.000 -0.570 0.000 1.043 91 A HN 0.367 nan 8.150 nan 0.000 0.638 92 S N -0.564 115.192 115.700 0.094 0.000 2.602 92 S HA 0.365 4.835 4.470 0.000 0.000 0.240 92 S C 0.901 175.604 174.600 0.172 0.000 0.992 92 S CA 0.102 58.380 58.200 0.130 0.000 0.971 92 S CB 0.049 63.295 63.200 0.077 0.000 0.855 92 S HN 0.764 nan 8.310 nan 0.000 0.481 93 G N 1.568 110.572 108.800 0.341 0.000 2.544 93 G HA2 0.495 4.455 3.960 0.000 0.000 0.242 93 G HA3 0.495 4.455 3.960 0.000 0.000 0.242 93 G C -0.129 174.745 174.900 -0.042 0.000 1.247 93 G CA 0.134 45.280 45.100 0.077 0.000 0.840 93 G HN 1.024 nan 8.290 nan 0.000 0.578 94 V N -1.044 118.837 119.914 -0.055 0.000 3.182 94 V HA 1.033 5.153 4.120 0.000 0.000 0.308 94 V C 0.554 176.614 176.094 -0.057 0.000 1.240 94 V CA -0.138 62.132 62.300 -0.052 0.000 1.063 94 V CB 1.093 32.906 31.823 -0.016 0.000 1.076 94 V HN 2.553 nan 8.190 nan 0.000 0.446 95 G N 0.501 109.275 108.800 -0.044 0.000 2.707 95 G HA2 0.075 4.035 3.960 0.000 0.000 0.686 95 G HA3 0.075 4.035 3.960 0.000 0.000 0.686 95 G C -2.711 172.165 174.900 -0.040 0.000 1.315 95 G CA -0.307 44.773 45.100 -0.034 0.000 0.832 95 G HN 1.122 nan 8.290 nan 0.000 0.573 96 P HA 0.394 nan 4.420 nan 0.000 0.267 96 P C 0.896 178.180 177.300 -0.027 0.000 1.200 96 P CA 0.474 63.563 63.100 -0.018 0.000 0.772 96 P CB 0.760 32.458 31.700 -0.003 0.000 0.855 97 V N 1.339 121.238 119.914 -0.025 0.000 3.051 97 V HA 0.163 4.283 4.120 0.000 0.000 0.306 97 V C 0.687 176.778 176.094 -0.005 0.000 1.083 97 V CA -0.670 61.611 62.300 -0.031 0.000 1.104 97 V CB -0.478 31.332 31.823 -0.023 0.000 1.027 97 V HN 0.305 nan 8.190 nan 0.000 0.483 98 L N 2.483 123.700 121.223 -0.009 0.000 2.461 98 L HA 0.256 4.596 4.340 0.000 0.000 0.272 98 L C 0.649 177.544 176.870 0.042 0.000 1.197 98 L CA -0.186 54.661 54.840 0.011 0.000 0.836 98 L CB 0.207 42.264 42.059 -0.004 0.000 1.105 98 L HN 1.030 nan 8.230 nan 0.000 0.477 99 D N -0.178 120.262 120.400 0.067 0.000 2.361 99 D HA -0.109 4.531 4.640 0.000 0.000 0.239 99 D C 0.699 177.100 176.300 0.167 0.000 1.200 99 D CA -0.447 53.625 54.000 0.120 0.000 0.915 99 D CB 0.541 41.416 40.800 0.124 0.000 1.170 99 D HN 0.552 nan 8.370 nan 0.000 0.444 100 W N 1.180 122.485 121.300 0.009 0.000 2.302 100 W HA -0.290 4.370 4.660 0.000 0.000 0.320 100 W C 2.160 178.675 176.519 -0.006 0.000 1.241 100 W CA 2.591 59.941 57.345 0.008 0.000 1.264 100 W CB -0.759 28.708 29.460 0.011 0.000 1.154 100 W HN 0.430 nan 8.180 nan 0.000 0.483 101 T N -0.110 114.622 114.554 0.297 0.000 2.720 101 T HA -0.228 4.122 4.350 0.000 0.000 0.268 101 T C 1.549 176.193 174.700 -0.093 0.000 1.037 101 T CA 2.375 64.491 62.100 0.026 0.000 1.144 101 T CB -0.908 68.050 68.868 0.150 0.000 0.864 101 T HN 0.202 nan 8.240 nan 0.000 0.444 102 T N 1.919 116.471 114.554 -0.002 0.000 2.777 102 T HA 0.025 4.375 4.350 0.000 0.000 0.266 102 T C 2.426 177.090 174.700 -0.061 0.000 1.040 102 T CA 1.090 63.182 62.100 -0.014 0.000 1.141 102 T CB -0.529 68.358 68.868 0.031 0.000 0.868 102 T HN 0.429 nan 8.240 nan 0.000 0.444 103 A N 1.741 124.516 122.820 -0.075 0.000 1.933 103 A HA -0.105 4.215 4.320 0.000 0.000 0.218 103 A C 2.373 179.864 177.584 -0.156 0.000 1.175 103 A CA 1.380 53.359 52.037 -0.097 0.000 0.628 103 A CB -0.461 18.488 19.000 -0.084 0.000 0.814 103 A HN 0.400 nan 8.150 nan 0.000 0.444 104 R N -0.585 119.757 120.500 -0.264 0.000 2.092 104 R HA -0.006 4.334 4.340 0.000 0.000 0.231 104 R C 2.421 178.594 176.300 -0.211 0.000 1.119 104 R CA 1.049 56.963 56.100 -0.310 0.000 0.970 104 R CB -0.409 29.557 30.300 -0.558 0.000 0.864 104 R HN 0.506 nan 8.270 nan 0.000 0.440 105 A N 1.126 123.841 122.820 -0.176 0.000 1.933 105 A HA -0.190 4.130 4.320 0.000 0.000 0.218 105 A C 2.110 179.643 177.584 -0.084 0.000 1.175 105 A CA 1.338 53.305 52.037 -0.117 0.000 0.628 105 A CB -0.445 18.510 19.000 -0.076 0.000 0.814 105 A HN 0.331 nan 8.150 nan 0.000 0.444 106 M N -0.318 119.236 119.600 -0.077 0.000 2.132 106 M HA -0.107 4.373 4.480 0.000 0.000 0.263 106 M C 1.858 178.122 176.300 -0.061 0.000 1.065 106 M CA 1.866 57.132 55.300 -0.056 0.000 1.122 106 M CB -0.207 32.365 32.600 -0.047 0.000 1.365 106 M HN 0.191 nan 8.290 nan 0.000 0.411 107 V N 1.116 120.983 119.914 -0.078 0.000 2.343 107 V HA -0.275 3.845 4.120 0.000 0.000 0.247 107 V C 2.420 178.474 176.094 -0.067 0.000 1.051 107 V CA 1.728 63.986 62.300 -0.070 0.000 1.036 107 V CB -0.954 30.820 31.823 -0.082 0.000 0.654 107 V HN 0.585 nan 8.190 nan 0.000 0.451 108 L N 0.961 122.135 121.223 -0.083 0.000 2.046 108 L HA -0.081 4.260 4.340 0.000 0.000 0.208 108 L C 2.437 179.270 176.870 -0.061 0.000 1.077 108 L CA 2.354 57.149 54.840 -0.076 0.000 0.747 108 L CB -0.967 41.038 42.059 -0.091 0.000 0.896 108 L HN 0.215 nan 8.230 nan 0.000 0.432 109 A N -0.425 122.360 122.820 -0.058 0.000 1.902 109 A HA -0.258 4.062 4.320 0.000 0.000 0.217 109 A C 2.463 180.024 177.584 -0.039 0.000 1.181 109 A CA 1.831 53.839 52.037 -0.049 0.000 0.623 109 A CB -0.602 18.373 19.000 -0.042 0.000 0.818 109 A HN 0.486 nan 8.150 nan 0.000 0.443 110 R N -0.647 119.832 120.500 -0.035 0.000 2.075 110 R HA -0.064 4.276 4.340 0.000 0.000 0.232 110 R C 1.939 178.225 176.300 -0.024 0.000 1.126 110 R CA 1.513 57.599 56.100 -0.024 0.000 0.963 110 R CB -0.667 29.619 30.300 -0.023 0.000 0.858 110 R HN 0.438 nan 8.270 nan 0.000 0.435 111 L N -0.081 121.123 121.223 -0.031 0.000 2.046 111 L HA -0.107 4.233 4.340 0.000 0.000 0.208 111 L C 1.906 178.758 176.870 -0.030 0.000 1.077 111 L CA 1.656 56.478 54.840 -0.030 0.000 0.747 111 L CB -0.524 41.513 42.059 -0.037 0.000 0.896 111 L HN 0.072 nan 8.230 nan 0.000 0.432 112 V N -0.949 118.942 119.914 -0.039 0.000 2.343 112 V HA -0.282 3.838 4.120 0.000 0.000 0.247 112 V C 2.780 178.854 176.094 -0.032 0.000 1.051 112 V CA 1.827 64.101 62.300 -0.043 0.000 1.036 112 V CB -0.920 30.865 31.823 -0.063 0.000 0.654 112 V HN 0.662 nan 8.190 nan 0.000 0.451 113 S N -0.278 115.406 115.700 -0.027 0.000 2.356 113 S HA -0.157 4.313 4.470 0.000 0.000 0.223 113 S C 1.934 176.531 174.600 -0.004 0.000 1.032 113 S CA 1.747 59.937 58.200 -0.016 0.000 1.005 113 S CB -0.363 62.831 63.200 -0.011 0.000 0.867 113 S HN 0.525 nan 8.310 nan 0.000 0.449 114 I N 1.716 122.285 120.570 -0.002 0.000 2.286 114 I HA -0.150 4.020 4.170 0.000 0.000 0.248 114 I C 2.682 178.801 176.117 0.003 0.000 1.115 114 I CA 1.071 62.376 61.300 0.007 0.000 1.392 114 I CB -0.495 37.506 38.000 0.002 0.000 1.065 114 I HN 0.384 nan 8.210 nan 0.000 0.418 115 A N 0.016 122.832 122.820 -0.007 0.000 2.178 115 A HA -0.183 4.137 4.320 0.000 0.000 0.218 115 A C 2.041 179.625 177.584 -0.001 0.000 1.157 115 A CA 1.110 53.143 52.037 -0.007 0.000 0.689 115 A CB -0.311 18.681 19.000 -0.014 0.000 0.787 115 A HN 0.401 nan 8.150 nan 0.000 0.465 116 Q N -1.171 118.631 119.800 0.003 0.000 2.472 116 Q HA 0.100 4.440 4.340 0.000 0.000 0.208 116 Q C 1.235 177.244 176.000 0.015 0.000 0.958 116 Q CA 0.754 56.561 55.803 0.007 0.000 0.932 116 Q CB -0.461 28.280 28.738 0.004 0.000 1.007 116 Q HN 1.016 nan 8.270 nan 0.000 0.508 117 G N 0.508 109.320 108.800 0.019 0.000 2.182 117 G HA2 -0.234 3.726 3.960 0.000 0.000 0.248 117 G HA3 -0.234 3.726 3.960 0.000 0.000 0.248 117 G C 0.488 175.421 174.900 0.055 0.000 1.042 117 G CA 0.417 45.533 45.100 0.028 0.000 0.775 117 G HN 0.517 nan 8.290 nan 0.000 0.501 118 A N -0.971 121.894 122.820 0.075 0.000 2.603 118 A HA 0.727 5.047 4.320 0.000 0.000 0.277 118 A C 1.634 179.347 177.584 0.216 0.000 1.158 118 A CA 1.357 53.469 52.037 0.125 0.000 0.962 118 A CB 0.299 19.334 19.000 0.059 0.000 1.189 118 A HN 0.767 nan 8.150 nan 0.000 0.552 119 S N -1.206 114.610 115.700 0.192 0.000 2.505 119 S HA 0.367 4.837 4.470 0.000 0.000 0.216 119 S C 1.533 176.288 174.600 0.258 0.000 1.018 119 S CA 0.664 59.007 58.200 0.237 0.000 0.911 119 S CB 0.450 63.719 63.200 0.115 0.000 0.818 119 S HN 1.643 nan 8.310 nan 0.000 0.497 120 G N 1.954 110.816 108.800 0.102 0.000 2.162 120 G HA2 -0.241 3.719 3.960 0.000 0.000 0.260 120 G HA3 -0.241 3.719 3.960 0.000 0.000 0.260 120 G C 0.249 175.108 174.900 -0.067 0.000 0.976 120 G CA 0.028 45.072 45.100 -0.094 0.000 0.655 120 G HN 0.917 nan 8.290 nan 0.000 0.533 121 A N 0.475 123.284 122.820 -0.017 0.000 2.540 121 A HA 0.578 4.899 4.320 0.000 0.000 0.239 121 A C 1.190 178.717 177.584 -0.095 0.000 1.061 121 A CA 1.067 53.082 52.037 -0.036 0.000 0.758 121 A CB 0.145 19.137 19.000 -0.015 0.000 0.991 121 A HN 2.056 nan 8.150 nan 0.000 0.502 122 S N 1.821 117.432 115.700 -0.149 0.000 2.600 122 S HA 0.156 4.626 4.470 0.000 0.000 0.265 122 S C 0.763 175.257 174.600 -0.177 0.000 1.325 122 S CA 0.165 58.199 58.200 -0.278 0.000 1.002 122 S CB 0.676 63.531 63.200 -0.575 0.000 0.921 122 S HN 0.722 nan 8.310 nan 0.000 0.554 123 E N 1.590 121.684 120.200 -0.175 0.000 2.118 123 E HA -0.120 4.230 4.350 0.000 0.000 0.195 123 E C 2.149 178.706 176.600 -0.070 0.000 0.992 123 E CA 1.210 57.551 56.400 -0.098 0.000 0.804 123 E CB -0.769 28.883 29.700 -0.080 0.000 0.741 123 E HN 0.906 nan 8.360 nan 0.000 0.458 124 G N 0.551 109.305 108.800 -0.076 0.000 2.418 124 G HA2 -0.266 3.694 3.960 0.000 0.000 0.217 124 G HA3 -0.266 3.694 3.960 0.000 0.000 0.217 124 G C 1.635 176.524 174.900 -0.017 0.000 1.158 124 G CA 1.292 46.377 45.100 -0.026 0.000 0.771 124 G HN 0.188 nan 8.290 nan 0.000 0.545 125 T N 1.334 115.870 114.554 -0.030 0.000 2.746 125 T HA -0.061 4.289 4.350 0.000 0.000 0.267 125 T C 2.386 177.076 174.700 -0.017 0.000 1.039 125 T CA 1.029 63.120 62.100 -0.014 0.000 1.142 125 T CB -0.165 68.692 68.868 -0.018 0.000 0.866 125 T HN 0.247 nan 8.240 nan 0.000 0.444 126 I N 1.262 121.815 120.570 -0.029 0.000 2.286 126 I HA -0.170 4.000 4.170 0.000 0.000 0.248 126 I C 2.873 178.978 176.117 -0.019 0.000 1.115 126 I CA 1.020 62.305 61.300 -0.025 0.000 1.392 126 I CB -0.437 37.545 38.000 -0.031 0.000 1.065 126 I HN 0.189 nan 8.210 nan 0.000 0.418 127 A N 0.763 123.571 122.820 -0.019 0.000 1.933 127 A HA -0.179 4.141 4.320 0.000 0.000 0.218 127 A C 2.332 179.913 177.584 -0.006 0.000 1.175 127 A CA 1.269 53.298 52.037 -0.013 0.000 0.628 127 A CB -0.388 18.606 19.000 -0.011 0.000 0.814 127 A HN 0.245 nan 8.150 nan 0.000 0.444 128 R N -0.119 120.381 120.500 0.000 0.000 2.081 128 R HA -0.050 4.290 4.340 0.000 0.000 0.235 128 R C 2.034 178.340 176.300 0.011 0.000 1.131 128 R CA 1.273 57.380 56.100 0.013 0.000 0.960 128 R CB -1.044 29.270 30.300 0.023 0.000 0.856 128 R HN 0.608 nan 8.270 nan 0.000 0.436 129 L N 0.094 121.316 121.223 -0.002 0.000 2.027 129 L HA -0.086 4.254 4.340 0.000 0.000 0.206 129 L C 2.522 179.380 176.870 -0.020 0.000 1.074 129 L CA 1.115 55.948 54.840 -0.011 0.000 0.745 129 L CB -0.513 41.534 42.059 -0.019 0.000 0.898 129 L HN 0.054 nan 8.230 nan 0.000 0.433 130 I N 0.114 120.672 120.570 -0.020 0.000 2.226 130 I HA -0.299 3.872 4.170 0.000 0.000 0.245 130 I C 2.152 178.256 176.117 -0.021 0.000 1.100 130 I CA 1.261 62.547 61.300 -0.024 0.000 1.374 130 I CB -0.398 37.590 38.000 -0.020 0.000 1.057 130 I HN 0.265 nan 8.210 nan 0.000 0.413 131 D N 0.687 121.079 120.400 -0.013 0.000 2.123 131 D HA -0.178 4.462 4.640 0.000 0.000 0.196 131 D C 2.126 178.417 176.300 -0.014 0.000 0.992 131 D CA 0.944 54.937 54.000 -0.013 0.000 0.833 131 D CB -0.336 40.459 40.800 -0.009 0.000 0.954 131 D HN 0.159 nan 8.370 nan 0.000 0.455 132 L N 0.746 121.966 121.223 -0.005 0.000 2.012 132 L HA -0.146 4.194 4.340 0.000 0.000 0.210 132 L C 2.122 178.969 176.870 -0.038 0.000 1.073 132 L CA 1.425 56.266 54.840 0.002 0.000 0.748 132 L CB -0.861 41.218 42.059 0.035 0.000 0.891 132 L HN 0.103 nan 8.230 nan 0.000 0.431 133 L N 0.092 121.280 121.223 -0.057 0.000 2.131 133 L HA -0.206 4.134 4.340 0.000 0.000 0.210 133 L C 2.039 178.874 176.870 -0.059 0.000 1.092 133 L CA 0.921 55.707 54.840 -0.090 0.000 0.759 133 L CB -0.590 41.418 42.059 -0.085 0.000 0.903 133 L HN 0.370 nan 8.230 nan 0.000 0.435 134 N N -0.484 118.198 118.700 -0.030 0.000 2.463 134 N HA -0.024 4.716 4.740 0.000 0.000 0.181 134 N C 1.002 176.518 175.510 0.009 0.000 1.078 134 N CA 0.473 53.517 53.050 -0.010 0.000 0.902 134 N CB 0.109 38.590 38.487 -0.009 0.000 0.970 134 N HN 0.343 nan 8.380 nan 0.000 0.451 135 S N 0.191 115.896 115.700 0.007 0.000 2.686 135 S HA 0.242 4.712 4.470 0.000 0.000 0.270 135 S C 0.747 175.406 174.600 0.099 0.000 1.194 135 S CA -0.405 57.812 58.200 0.027 0.000 0.990 135 S CB 1.286 64.483 63.200 -0.006 0.000 1.029 135 S HN -0.053 nan 8.310 nan 0.000 0.560 136 E N 0.148 120.436 120.200 0.146 0.000 2.419 136 E HA 0.348 4.698 4.350 0.000 0.000 0.190 136 E C -0.213 176.689 176.600 0.502 0.000 1.040 136 E CA -0.011 56.578 56.400 0.315 0.000 0.900 136 E CB -0.212 29.592 29.700 0.173 0.000 1.054 136 E HN 0.500 nan 8.360 nan 0.000 0.462 137 L N -0.129 121.282 121.223 0.314 0.000 2.304 137 L HA 0.768 5.108 4.340 0.000 0.000 0.268 137 L C -0.033 176.923 176.870 0.144 0.000 1.010 137 L CA -1.104 53.944 54.840 0.346 0.000 0.813 137 L CB 1.607 43.747 42.059 0.135 0.000 1.315 137 L HN -0.154 nan 8.230 nan 0.000 0.445 138 A N 1.014 123.958 122.820 0.207 0.000 2.515 138 A HA 0.837 5.157 4.320 0.000 0.000 0.298 138 A C -2.815 174.856 177.584 0.146 0.000 1.059 138 A CA -1.417 50.611 52.037 -0.014 0.000 0.698 138 A CB 1.926 20.741 19.000 -0.307 0.000 1.289 138 A HN 0.371 nan 8.150 nan 0.000 0.404 139 P HA 0.404 nan 4.420 nan 0.000 0.274 139 P C -0.411 176.815 177.300 -0.123 0.000 1.231 139 P CA 0.010 62.984 63.100 -0.209 0.000 0.790 139 P CB 1.324 32.898 31.700 -0.209 0.000 0.951 140 A N 2.968 125.691 122.820 -0.162 0.000 2.294 140 A HA 0.493 4.813 4.320 0.000 0.000 0.316 140 A C -0.303 177.219 177.584 -0.103 0.000 1.359 140 A CA -0.439 51.550 52.037 -0.081 0.000 0.956 140 A CB -0.232 18.733 19.000 -0.057 0.000 1.155 140 A HN 0.347 nan 8.150 nan 0.000 0.544 141 V N 5.661 125.519 119.914 -0.093 0.000 2.588 141 V HA 0.429 4.549 4.120 0.000 0.000 0.304 141 V C -2.255 173.741 176.094 -0.163 0.000 1.042 141 V CA -1.763 60.461 62.300 -0.127 0.000 0.877 141 V CB 2.157 33.940 31.823 -0.067 0.000 0.996 141 V HN 0.814 nan 8.190 nan 0.000 0.425 142 P HA 0.078 nan 4.420 nan 0.000 0.268 142 P C 0.703 177.925 177.300 -0.131 0.000 1.205 142 P CA 0.097 63.060 63.100 -0.229 0.000 0.771 142 P CB 1.004 32.491 31.700 -0.355 0.000 0.858 143 S N 2.738 118.393 115.700 -0.075 0.000 2.461 143 S HA 0.016 4.486 4.470 0.000 0.000 0.228 143 S C 0.841 175.427 174.600 -0.023 0.000 1.005 143 S CA 0.156 58.334 58.200 -0.036 0.000 0.942 143 S CB -0.106 63.084 63.200 -0.016 0.000 0.776 143 S HN 0.408 nan 8.310 nan 0.000 0.514 144 R N -0.222 120.260 120.500 -0.030 0.000 2.668 144 R HA 0.628 4.968 4.340 0.000 0.000 0.279 144 R C 0.737 177.035 176.300 -0.004 0.000 0.976 144 R CA -0.010 56.084 56.100 -0.011 0.000 0.978 144 R CB 1.521 31.816 30.300 -0.008 0.000 1.133 144 R HN 0.322 nan 8.270 nan 0.000 0.484 145 G N 0.154 108.962 108.800 0.012 0.000 2.551 145 G HA2 -0.207 3.753 3.960 0.000 0.000 0.186 145 G HA3 -0.207 3.753 3.960 0.000 0.000 0.186 145 G C 0.023 174.940 174.900 0.028 0.000 1.002 145 G CA -0.031 45.084 45.100 0.026 0.000 0.723 145 G HN 0.610 nan 8.290 nan 0.000 0.481 146 T N 0.403 114.971 114.554 0.024 0.000 2.895 146 T HA 0.549 4.900 4.350 0.000 0.000 0.283 146 T C 1.332 176.049 174.700 0.028 0.000 1.014 146 T CA 0.410 62.524 62.100 0.023 0.000 1.037 146 T CB 1.728 70.607 68.868 0.018 0.000 1.006 146 T HN 1.141 nan 8.240 nan 0.000 0.468 147 V N 1.187 121.120 119.914 0.031 0.000 3.444 147 V HA 0.620 4.740 4.120 0.000 0.000 0.308 147 V C 1.168 177.293 176.094 0.051 0.000 1.371 147 V CA 0.217 62.542 62.300 0.042 0.000 1.141 147 V CB -1.264 30.585 31.823 0.044 0.000 1.037 147 V HN 1.393 nan 8.190 nan 0.000 0.433 153 L N -0.305 120.886 121.223 -0.054 0.000 2.012 153 L HA -0.152 4.188 4.340 0.000 0.000 0.210 153 L C 2.367 179.186 176.870 -0.085 0.000 1.073 153 L CA 1.485 56.270 54.840 -0.091 0.000 0.748 153 L CB -0.661 41.321 42.059 -0.128 0.000 0.891 153 L HN 0.099 nan 8.230 nan 0.000 0.431 154 T N 0.382 114.910 114.554 -0.042 0.000 2.674 154 T HA -0.084 4.266 4.350 0.000 0.000 0.265 154 T C -0.450 174.310 174.700 0.101 0.000 1.039 154 T CA 1.699 63.804 62.100 0.007 0.000 1.150 154 T CB -1.145 67.756 68.868 0.054 0.000 0.864 154 T HN 0.304 nan 8.240 nan 0.000 0.427 155 P HA 0.006 nan 4.420 nan 0.000 0.218 155 P C 1.550 178.879 177.300 0.050 0.000 1.149 155 P CA 0.992 64.141 63.100 0.082 0.000 0.817 155 P CB -0.233 31.479 31.700 0.020 0.000 0.785 156 L N -0.747 120.474 121.223 -0.003 0.000 2.156 156 L HA -0.067 4.273 4.340 0.000 0.000 0.208 156 L C 2.753 179.585 176.870 -0.064 0.000 1.095 156 L CA 1.234 56.054 54.840 -0.034 0.000 0.770 156 L CB -1.000 41.032 42.059 -0.045 0.000 0.914 156 L HN -0.060 nan 8.230 nan 0.000 0.439 157 A N -0.930 121.828 122.820 -0.102 0.000 1.930 157 A HA -0.208 4.112 4.320 0.000 0.000 0.217 157 A C 2.124 179.592 177.584 -0.193 0.000 1.175 157 A CA 1.205 53.129 52.037 -0.188 0.000 0.627 157 A CB -0.675 18.156 19.000 -0.283 0.000 0.815 157 A HN 0.396 nan 8.150 nan 0.000 0.443 158 H N -1.145 117.872 119.070 -0.088 0.000 2.389 158 H HA -0.094 4.462 4.556 0.000 0.000 0.299 158 H C 2.091 177.353 175.328 -0.110 0.000 1.081 158 H CA 1.733 57.728 56.048 -0.087 0.000 1.345 158 H CB -0.266 29.449 29.762 -0.078 0.000 1.393 158 H HN 0.592 nan 8.280 nan 0.000 0.520 159 M N 0.620 120.222 119.600 0.002 0.000 2.117 159 M HA -0.152 4.328 4.480 0.000 0.000 0.262 159 M C 2.108 178.363 176.300 -0.076 0.000 1.065 159 M CA 1.316 56.581 55.300 -0.059 0.000 1.114 159 M CB -0.126 32.445 32.600 -0.048 0.000 1.361 159 M HN -0.005 nan 8.290 nan 0.000 0.408 160 V N 1.343 121.215 119.914 -0.070 0.000 2.287 160 V HA -0.311 3.809 4.120 0.000 0.000 0.248 160 V C 2.457 178.514 176.094 -0.062 0.000 1.053 160 V CA 1.883 64.144 62.300 -0.065 0.000 1.027 160 V CB -0.781 30.991 31.823 -0.084 0.000 0.646 160 V HN 0.548 nan 8.190 nan 0.000 0.447 161 L N -0.845 120.333 121.223 -0.076 0.000 2.042 161 L HA -0.238 4.102 4.340 0.000 0.000 0.210 161 L C 2.645 179.472 176.870 -0.070 0.000 1.076 161 L CA 1.673 56.480 54.840 -0.055 0.000 0.749 161 L CB -0.758 41.270 42.059 -0.052 0.000 0.893 161 L HN 0.416 nan 8.230 nan 0.000 0.432 162 C N -0.207 119.005 119.300 -0.146 0.000 2.432 162 C HA -0.146 4.314 4.460 0.000 0.000 0.277 162 C C 2.662 177.528 174.990 -0.208 0.000 1.249 162 C CA 0.395 59.209 59.018 -0.340 0.000 1.725 162 C CB -0.836 26.560 27.740 -0.573 0.000 2.028 162 C HN 0.441 nan 8.230 nan 0.000 0.477 163 L N 0.372 121.557 121.223 -0.062 0.000 2.362 163 L HA -0.160 4.180 4.340 0.000 0.000 0.219 163 L C 2.419 179.361 176.870 0.121 0.000 1.134 163 L CA 1.235 56.146 54.840 0.117 0.000 0.807 163 L CB -0.634 41.465 42.059 0.066 0.000 0.927 163 L HN 0.533 nan 8.230 nan 0.000 0.447 164 Q N -0.391 119.447 119.800 0.063 0.000 2.360 164 Q HA 0.113 4.453 4.340 0.000 0.000 0.202 164 Q C 1.323 177.376 176.000 0.088 0.000 0.915 164 Q CA 0.511 56.351 55.803 0.061 0.000 0.943 164 Q CB 0.610 29.365 28.738 0.029 0.000 1.064 164 Q HN 0.550 nan 8.270 nan 0.000 0.511 165 G N 1.754 110.634 108.800 0.133 0.000 2.132 165 G HA2 -0.297 3.663 3.960 0.000 0.000 0.234 165 G HA3 -0.297 3.663 3.960 0.000 0.000 0.234 165 G C 0.457 175.416 174.900 0.099 0.000 0.989 165 G CA 0.007 45.208 45.100 0.168 0.000 0.676 165 G HN 0.307 nan 8.290 nan 0.000 0.522 166 R N 0.023 120.553 120.500 0.050 0.000 2.586 166 R HA 0.485 4.825 4.340 0.000 0.000 0.336 166 R C 0.906 177.208 176.300 0.003 0.000 1.060 166 R CA 0.460 56.578 56.100 0.031 0.000 1.079 166 R CB 0.888 31.206 30.300 0.031 0.000 1.317 166 R HN 0.569 nan 8.270 nan 0.000 0.568 167 G N -0.206 108.576 108.800 -0.030 0.000 2.698 167 G HA2 0.206 4.166 3.960 0.000 0.000 0.293 167 G HA3 0.206 4.166 3.960 0.000 0.000 0.293 167 G C -1.533 173.283 174.900 -0.139 0.000 1.437 167 G CA -0.703 44.351 45.100 -0.076 0.000 0.852 167 G HN -0.113 nan 8.290 nan 0.000 0.499 168 D N -0.286 120.055 120.400 -0.099 0.000 2.368 168 D HA 0.517 5.157 4.640 0.000 0.000 0.240 168 D C -0.324 175.856 176.300 -0.200 0.000 1.169 168 D CA 0.594 54.565 54.000 -0.049 0.000 0.906 168 D CB 0.845 41.648 40.800 0.005 0.000 1.187 168 D HN 0.099 nan 8.370 nan 0.000 0.435 169 F N -0.399 119.577 119.950 0.043 0.000 2.594 169 F HA 0.535 5.062 4.527 0.000 0.000 0.335 169 F C -0.013 175.835 175.800 0.079 0.000 1.058 169 F CA -0.899 57.135 58.000 0.056 0.000 0.981 169 F CB 1.065 40.098 39.000 0.056 0.000 1.289 169 F HN -0.061 nan 8.300 nan 0.000 0.490 170 L N 1.278 122.709 121.223 0.346 0.000 2.386 170 L HA 0.402 4.742 4.340 0.000 0.000 0.271 170 L C -1.115 175.978 176.870 0.372 0.000 0.993 170 L CA -1.089 53.929 54.840 0.296 0.000 0.819 170 L CB 1.912 44.151 42.059 0.300 0.000 1.294 170 L HN 0.590 nan 8.230 nan 0.000 0.414 171 D N 0.932 121.450 120.400 0.197 0.000 2.432 171 D HA 0.140 4.780 4.640 0.000 0.000 0.258 171 D C 0.918 177.085 176.300 -0.220 0.000 1.146 171 D CA -0.723 53.325 54.000 0.081 0.000 1.015 171 D CB 0.867 41.667 40.800 -0.001 0.000 1.107 171 D HN 0.381 nan 8.370 nan 0.000 0.529 172 R N -0.470 119.643 120.500 -0.645 0.000 2.154 172 R HA -0.158 4.183 4.340 0.000 0.000 0.248 172 R C 0.666 176.593 176.300 -0.622 0.000 1.155 172 R CA 1.724 57.053 56.100 -1.285 0.000 0.979 172 R CB -0.257 29.416 30.300 -1.046 0.000 0.869 172 R HN 0.454 nan 8.270 nan 0.000 0.452 173 D N -1.522 118.690 120.400 -0.314 0.000 2.349 173 D HA 0.105 4.745 4.640 0.000 0.000 0.224 173 D C 0.901 177.155 176.300 -0.076 0.000 1.029 173 D CA 1.049 54.951 54.000 -0.164 0.000 0.879 173 D CB 0.654 41.387 40.800 -0.112 0.000 0.906 173 D HN 0.529 nan 8.370 nan 0.000 0.528 174 G N 0.830 109.604 108.800 -0.044 0.000 2.175 174 G HA2 -0.259 3.701 3.960 0.000 0.000 0.244 174 G HA3 -0.259 3.701 3.960 0.000 0.000 0.244 174 G C 0.573 175.497 174.900 0.040 0.000 0.982 174 G CA 0.173 45.294 45.100 0.035 0.000 0.641 174 G HN 0.285 nan 8.290 nan 0.000 0.527 175 T N 3.035 117.602 114.554 0.021 0.000 2.888 175 T HA 0.420 4.770 4.350 0.000 0.000 0.301 175 T C 0.791 175.528 174.700 0.062 0.000 1.001 175 T CA -0.083 62.035 62.100 0.029 0.000 1.147 175 T CB 0.761 69.637 68.868 0.012 0.000 0.931 175 T HN 0.273 nan 8.240 nan 0.000 0.541 176 R N 3.051 123.586 120.500 0.058 0.000 2.390 176 R HA 0.450 4.790 4.340 0.000 0.000 0.291 176 R C -0.373 175.977 176.300 0.084 0.000 1.070 176 R CA -0.285 55.860 56.100 0.076 0.000 1.014 176 R CB 0.561 30.892 30.300 0.053 0.000 1.007 176 R HN 0.565 nan 8.270 nan 0.000 0.466 177 L N 2.312 123.611 121.223 0.126 0.000 2.381 177 L HA 0.281 4.621 4.340 0.000 0.000 0.268 177 L C 0.068 177.036 176.870 0.162 0.000 0.997 177 L CA -1.282 53.636 54.840 0.130 0.000 0.818 177 L CB 2.058 44.203 42.059 0.145 0.000 1.310 177 L HN 0.602 nan 8.230 nan 0.000 0.416 178 D N 1.246 121.721 120.400 0.126 0.000 2.360 178 D HA 0.107 4.747 4.640 0.000 0.000 0.242 178 D C 1.233 177.659 176.300 0.209 0.000 1.184 178 D CA -0.005 54.072 54.000 0.128 0.000 0.930 178 D CB 0.970 41.818 40.800 0.081 0.000 1.161 178 D HN 0.574 nan 8.370 nan 0.000 0.447 179 G N 0.241 109.157 108.800 0.193 0.000 2.599 179 G HA2 -0.317 3.643 3.960 0.000 0.000 0.219 179 G HA3 -0.317 3.643 3.960 0.000 0.000 0.219 179 G C 1.508 176.557 174.900 0.247 0.000 1.193 179 G CA 2.215 47.481 45.100 0.278 0.000 0.778 179 G HN 0.744 nan 8.290 nan 0.000 0.589 180 A N 0.639 123.539 122.820 0.132 0.000 1.883 180 A HA -0.097 4.223 4.320 0.000 0.000 0.217 180 A C 2.233 179.842 177.584 0.042 0.000 1.186 180 A CA 2.449 54.532 52.037 0.076 0.000 0.624 180 A CB -0.533 18.498 19.000 0.052 0.000 0.822 180 A HN 0.468 nan 8.150 nan 0.000 0.444 181 E N 0.103 120.333 120.200 0.050 0.000 2.077 181 E HA -0.044 4.306 4.350 0.000 0.000 0.193 181 E C 1.967 178.540 176.600 -0.044 0.000 0.989 181 E CA 1.688 58.097 56.400 0.015 0.000 0.800 181 E CB -0.899 28.823 29.700 0.037 0.000 0.746 181 E HN 0.390 nan 8.360 nan 0.000 0.452 182 G N 0.875 109.645 108.800 -0.050 0.000 2.421 182 G HA2 -0.234 3.726 3.960 0.000 0.000 0.216 182 G HA3 -0.234 3.726 3.960 0.000 0.000 0.216 182 G C 1.637 176.200 174.900 -0.561 0.000 1.171 182 G CA 0.998 45.847 45.100 -0.418 0.000 0.775 182 G HN 0.320 nan 8.290 nan 0.000 0.543 183 L N -0.143 120.874 121.223 -0.344 0.000 2.083 183 L HA -0.059 4.281 4.340 0.000 0.000 0.209 183 L C 2.933 179.715 176.870 -0.147 0.000 1.083 183 L CA 1.334 56.043 54.840 -0.220 0.000 0.752 183 L CB -0.400 41.629 42.059 -0.050 0.000 0.899 183 L HN 0.227 nan 8.230 nan 0.000 0.433 184 R N 0.556 120.994 120.500 -0.103 0.000 2.061 184 R HA -0.192 4.148 4.340 0.000 0.000 0.230 184 R C 2.528 178.781 176.300 -0.078 0.000 1.140 184 R CA 1.640 57.700 56.100 -0.067 0.000 0.940 184 R CB -0.210 30.067 30.300 -0.039 0.000 0.839 184 R HN 0.161 nan 8.270 nan 0.000 0.429 185 R N -0.531 119.913 120.500 -0.093 0.000 2.091 185 R HA -0.091 4.249 4.340 0.000 0.000 0.238 185 R C 1.804 178.051 176.300 -0.088 0.000 1.136 185 R CA 1.821 57.874 56.100 -0.078 0.000 0.959 185 R CB -0.458 29.800 30.300 -0.070 0.000 0.856 185 R HN 0.426 nan 8.270 nan 0.000 0.437 186 G N -0.488 108.225 108.800 -0.144 0.000 3.141 186 G HA2 -0.072 3.888 3.960 0.000 0.000 0.218 186 G HA3 -0.072 3.888 3.960 0.000 0.000 0.218 186 G C 0.026 174.870 174.900 -0.092 0.000 1.170 186 G CA -0.120 44.908 45.100 -0.121 0.000 0.769 186 G HN 0.398 nan 8.290 nan 0.000 0.546 187 R N -0.804 119.646 120.500 -0.084 0.000 3.127 187 R HA -0.153 4.187 4.340 0.000 0.000 0.247 187 R C -0.907 175.359 176.300 -0.056 0.000 0.896 187 R CA 0.160 56.226 56.100 -0.057 0.000 0.624 187 R CB -1.822 28.457 30.300 -0.036 0.000 1.154 187 R HN 0.339 nan 8.270 nan 0.000 0.474 188 L N 1.523 122.701 121.223 -0.075 0.000 2.333 188 L HA 0.520 4.860 4.340 0.000 0.000 0.269 188 L C 0.305 177.159 176.870 -0.026 0.000 1.010 188 L CA -1.257 53.550 54.840 -0.055 0.000 0.818 188 L CB 1.851 43.856 42.059 -0.089 0.000 1.306 188 L HN 0.181 nan 8.230 nan 0.000 0.430 189 Q N 2.054 121.853 119.800 -0.002 0.000 2.235 189 Q HA 0.432 4.772 4.340 0.000 0.000 0.256 189 Q C -2.381 173.638 176.000 0.032 0.000 0.951 189 Q CA -1.948 53.862 55.803 0.012 0.000 0.890 189 Q CB 1.612 30.358 28.738 0.012 0.000 1.279 189 Q HN 0.297 nan 8.270 nan 0.000 0.444 190 P HA 0.044 nan 4.420 nan 0.000 0.276 190 P C -0.298 177.030 177.300 0.047 0.000 1.230 190 P CA -0.578 62.554 63.100 0.054 0.000 0.776 190 P CB 0.621 32.349 31.700 0.047 0.000 0.888 191 L N 3.278 124.533 121.223 0.053 0.000 2.513 191 L HA 0.148 4.488 4.340 0.000 0.000 0.272 191 L C -0.106 176.784 176.870 0.033 0.000 1.187 191 L CA 0.720 55.584 54.840 0.040 0.000 0.895 191 L CB -0.665 41.415 42.059 0.034 0.000 1.147 191 L HN 0.305 nan 8.230 nan 0.000 0.483 192 D N 4.641 125.064 120.400 0.039 0.000 2.440 192 D HA 0.244 4.884 4.640 0.000 0.000 0.239 192 D C -0.098 176.237 176.300 0.058 0.000 1.084 192 D CA -0.205 53.819 54.000 0.040 0.000 0.843 192 D CB 0.752 41.578 40.800 0.044 0.000 1.097 192 D HN 0.624 nan 8.370 nan 0.000 0.531 193 L N 3.169 124.413 121.223 0.035 0.000 2.783 193 L HA 0.111 4.451 4.340 0.000 0.000 0.236 193 L C 1.860 178.750 176.870 0.034 0.000 1.225 193 L CA -0.131 54.736 54.840 0.045 0.000 1.026 193 L CB -0.211 41.855 42.059 0.012 0.000 1.314 193 L HN 0.403 nan 8.230 nan 0.000 0.489 194 S N -2.159 113.542 115.700 0.002 0.000 2.442 194 S HA -0.215 4.255 4.470 0.000 0.000 0.236 194 S C 1.417 175.935 174.600 -0.136 0.000 1.007 194 S CA 0.944 59.092 58.200 -0.086 0.000 0.965 194 S CB -0.484 62.624 63.200 -0.153 0.000 0.773 194 S HN 0.549 nan 8.310 nan 0.000 0.504 195 H N 1.573 120.636 119.070 -0.013 0.000 2.556 195 H HA 0.347 4.903 4.556 0.000 0.000 0.268 195 H C 0.535 175.853 175.328 -0.017 0.000 0.996 195 H CA 0.316 56.353 56.048 -0.019 0.000 1.157 195 H CB -0.121 29.626 29.762 -0.025 0.000 1.355 195 H HN 0.340 nan 8.280 nan 0.000 0.597 196 R N 0.953 121.498 120.500 0.075 0.000 3.531 196 R HA -0.137 4.204 4.340 0.000 0.000 0.280 196 R C -0.751 175.592 176.300 0.073 0.000 1.130 196 R CA 0.847 56.982 56.100 0.058 0.000 0.757 196 R CB -1.785 28.540 30.300 0.043 0.000 1.218 196 R HN 0.552 nan 8.270 nan 0.000 0.454 197 D N -0.956 119.491 120.400 0.077 0.000 2.615 197 D HA 0.233 4.873 4.640 0.000 0.000 0.236 197 D C 1.211 177.545 176.300 0.056 0.000 1.233 197 D CA 0.319 54.359 54.000 0.066 0.000 0.829 197 D CB 0.358 41.181 40.800 0.039 0.000 1.024 197 D HN 0.292 nan 8.370 nan 0.000 0.490 198 A N 0.380 123.228 122.820 0.048 0.000 1.972 198 A HA -0.106 4.214 4.320 0.000 0.000 0.219 198 A C 1.931 179.526 177.584 0.018 0.000 1.169 198 A CA 0.769 52.814 52.037 0.014 0.000 0.635 198 A CB -0.469 18.523 19.000 -0.013 0.000 0.810 198 A HN 0.281 nan 8.150 nan 0.000 0.446 199 L N -0.593 120.672 121.223 0.069 0.000 2.362 199 L HA -0.050 4.290 4.340 0.000 0.000 0.219 199 L C 2.709 179.628 176.870 0.080 0.000 1.134 199 L CA 1.340 56.233 54.840 0.087 0.000 0.807 199 L CB -0.577 41.585 42.059 0.172 0.000 0.927 199 L HN 0.388 nan 8.230 nan 0.000 0.447 200 A N -1.235 121.632 122.820 0.079 0.000 2.119 200 A HA 0.007 4.327 4.320 0.000 0.000 0.217 200 A C 2.148 179.749 177.584 0.028 0.000 1.153 200 A CA 1.072 53.149 52.037 0.066 0.000 0.692 200 A CB -0.304 18.734 19.000 0.062 0.000 0.799 200 A HN 0.405 nan 8.150 nan 0.000 0.458 201 L N -1.186 120.043 121.223 0.009 0.000 2.425 201 L HA 0.125 4.466 4.340 0.000 0.000 0.215 201 L C 0.008 176.861 176.870 -0.030 0.000 1.065 201 L CA 0.206 55.038 54.840 -0.013 0.000 0.842 201 L CB 0.408 42.454 42.059 -0.023 0.000 1.033 201 L HN 0.051 nan 8.230 nan 0.000 0.474 202 V N 1.853 121.743 119.914 -0.041 0.000 2.217 202 V HA 0.389 4.509 4.120 0.000 0.000 0.264 202 V C -0.502 175.565 176.094 -0.044 0.000 1.107 202 V CA -0.244 62.013 62.300 -0.072 0.000 0.913 202 V CB -0.132 31.609 31.823 -0.137 0.000 1.153 202 V HN 0.317 nan 8.190 nan 0.000 0.469 203 N N 1.832 120.520 118.700 -0.020 0.000 3.348 203 N HA 0.522 5.262 4.740 0.000 0.000 0.233 203 N C -0.075 175.453 175.510 0.031 0.000 1.440 203 N CA 0.609 53.666 53.050 0.011 0.000 0.887 203 N CB 2.296 40.810 38.487 0.044 0.000 1.410 203 N HN 0.758 nan 8.380 nan 0.000 0.502 204 G N -0.044 108.805 108.800 0.082 0.000 2.698 204 G HA2 -0.239 3.721 3.960 0.000 0.000 0.233 204 G HA3 -0.239 3.721 3.960 0.000 0.000 0.233 204 G C 0.207 175.151 174.900 0.073 0.000 1.352 204 G CA 0.430 45.585 45.100 0.091 0.000 0.879 204 G HN 1.173 nan 8.290 nan 0.000 0.567 205 T N -2.945 111.639 114.554 0.050 0.000 3.258 205 T HA 0.554 4.904 4.350 0.000 0.000 0.263 205 T C 1.833 176.539 174.700 0.010 0.000 0.983 205 T CA 0.947 63.068 62.100 0.036 0.000 0.907 205 T CB 0.385 69.272 68.868 0.032 0.000 1.096 205 T HN 0.859 nan 8.240 nan 0.000 0.556 206 S N 1.671 117.372 115.700 0.003 0.000 2.383 206 S HA -0.078 4.392 4.470 0.000 0.000 0.229 206 S C 2.448 177.041 174.600 -0.012 0.000 1.030 206 S CA 1.270 59.464 58.200 -0.011 0.000 1.002 206 S CB -0.557 62.633 63.200 -0.017 0.000 0.829 206 S HN 0.834 nan 8.310 nan 0.000 0.467 207 A N 2.653 125.470 122.820 -0.005 0.000 1.854 207 A HA -0.048 4.272 4.320 0.000 0.000 0.214 207 A C 2.277 179.864 177.584 0.006 0.000 1.192 207 A CA 1.639 53.674 52.037 -0.003 0.000 0.611 207 A CB -0.789 18.212 19.000 0.001 0.000 0.832 207 A HN 0.648 nan 8.150 nan 0.000 0.442 208 M N -1.384 118.223 119.600 0.013 0.000 2.159 208 M HA -0.096 4.384 4.480 0.000 0.000 0.263 208 M C 1.776 178.084 176.300 0.012 0.000 1.063 208 M CA 2.323 57.634 55.300 0.019 0.000 1.110 208 M CB -1.316 31.298 32.600 0.023 0.000 1.374 208 M HN 0.162 nan 8.290 nan 0.000 0.411 209 T N 1.079 115.631 114.554 -0.003 0.000 2.777 209 T HA 0.025 4.375 4.350 0.000 0.000 0.266 209 T C 1.980 176.676 174.700 -0.006 0.000 1.040 209 T CA 1.561 63.650 62.100 -0.018 0.000 1.141 209 T CB -0.702 68.146 68.868 -0.033 0.000 0.868 209 T HN 0.716 nan 8.240 nan 0.000 0.444 210 G N 1.347 110.144 108.800 -0.006 0.000 2.418 210 G HA2 -0.124 3.836 3.960 0.000 0.000 0.217 210 G HA3 -0.124 3.836 3.960 0.000 0.000 0.217 210 G C 1.519 176.433 174.900 0.024 0.000 1.158 210 G CA 0.471 45.567 45.100 -0.006 0.000 0.771 210 G HN 0.482 nan 8.290 nan 0.000 0.545 211 I N 1.431 122.020 120.570 0.032 0.000 2.226 211 I HA -0.169 4.001 4.170 0.000 0.000 0.245 211 I C 3.268 179.439 176.117 0.090 0.000 1.100 211 I CA 1.047 62.381 61.300 0.057 0.000 1.374 211 I CB -0.193 37.838 38.000 0.052 0.000 1.057 211 I HN 0.234 nan 8.210 nan 0.000 0.413 212 A N 1.208 124.081 122.820 0.088 0.000 1.972 212 A HA -0.163 4.157 4.320 0.000 0.000 0.219 212 A C 2.232 179.920 177.584 0.174 0.000 1.169 212 A CA 1.759 53.884 52.037 0.147 0.000 0.635 212 A CB -0.785 18.264 19.000 0.082 0.000 0.810 212 A HN 0.520 nan 8.150 nan 0.000 0.446 213 L N -2.232 119.057 121.223 0.111 0.000 2.217 213 L HA 0.054 4.394 4.340 0.000 0.000 0.211 213 L C 1.920 178.903 176.870 0.189 0.000 1.107 213 L CA 1.410 56.326 54.840 0.127 0.000 0.783 213 L CB -1.000 41.100 42.059 0.069 0.000 0.919 213 L HN -0.007 nan 8.230 nan 0.000 0.442 214 V N 0.795 120.820 119.914 0.184 0.000 2.453 214 V HA -0.152 3.968 4.120 0.000 0.000 0.247 214 V C 2.449 178.673 176.094 0.215 0.000 1.048 214 V CA 1.631 64.082 62.300 0.251 0.000 1.049 214 V CB -0.933 31.002 31.823 0.187 0.000 0.672 214 V HN 0.491 nan 8.190 nan 0.000 0.457 215 N N 0.950 119.751 118.700 0.169 0.000 2.104 215 N HA -0.139 4.601 4.740 0.000 0.000 0.190 215 N C 1.924 177.497 175.510 0.104 0.000 1.024 215 N CA 1.745 54.873 53.050 0.131 0.000 0.853 215 N CB -0.576 37.977 38.487 0.111 0.000 1.008 215 N HN 0.475 nan 8.380 nan 0.000 0.424 216 A N 0.222 123.129 122.820 0.145 0.000 1.908 216 A HA -0.219 4.101 4.320 0.000 0.000 0.218 216 A C 2.122 179.737 177.584 0.052 0.000 1.181 216 A CA 1.928 54.031 52.037 0.110 0.000 0.627 216 A CB -0.932 18.191 19.000 0.203 0.000 0.818 216 A HN 0.477 nan 8.150 nan 0.000 0.445 217 H N -0.335 118.712 119.070 -0.037 0.000 2.326 217 H HA 0.099 4.655 4.556 0.000 0.000 0.301 217 H C 2.221 177.487 175.328 -0.103 0.000 1.081 217 H CA 1.840 57.781 56.048 -0.179 0.000 1.334 217 H CB -0.237 29.255 29.762 -0.450 0.000 1.385 217 H HN 0.392 nan 8.280 nan 0.000 0.504 218 A N -0.255 122.608 122.820 0.071 0.000 1.908 218 A HA -0.197 4.123 4.320 0.000 0.000 0.218 218 A C 2.693 180.279 177.584 0.003 0.000 1.181 218 A CA 1.556 53.636 52.037 0.072 0.000 0.627 218 A CB -1.252 17.818 19.000 0.117 0.000 0.818 218 A HN 0.652 nan 8.150 nan 0.000 0.445 219 C N -1.321 117.996 119.300 0.028 0.000 2.422 219 C HA -0.034 4.426 4.460 0.000 0.000 0.279 219 C C 2.785 177.763 174.990 -0.021 0.000 1.305 219 C CA 1.120 60.192 59.018 0.091 0.000 1.757 219 C CB -1.355 26.469 27.740 0.140 0.000 1.962 219 C HN 0.737 nan 8.230 nan 0.000 0.499 220 R N -0.004 120.388 120.500 -0.180 0.000 2.073 220 R HA -0.137 4.203 4.340 0.000 0.000 0.234 220 R C 2.259 178.359 176.300 -0.334 0.000 1.134 220 R CA 1.606 57.515 56.100 -0.319 0.000 0.952 220 R CB -0.447 29.562 30.300 -0.484 0.000 0.850 220 R HN 0.606 nan 8.270 nan 0.000 0.433 221 H N 0.526 119.462 119.070 -0.222 0.000 2.357 221 H HA -0.092 4.465 4.556 0.000 0.000 0.301 221 H C 2.205 177.514 175.328 -0.032 0.000 1.082 221 H CA 1.644 57.608 56.048 -0.139 0.000 1.342 221 H CB -0.185 29.498 29.762 -0.131 0.000 1.389 221 H HN 0.255 nan 8.280 nan 0.000 0.511 222 L N -0.168 121.019 121.223 -0.061 0.000 2.083 222 L HA -0.087 4.253 4.340 0.000 0.000 0.209 222 L C 2.769 179.464 176.870 -0.291 0.000 1.083 222 L CA 1.074 55.682 54.840 -0.386 0.000 0.752 222 L CB -0.760 40.679 42.059 -1.033 0.000 0.899 222 L HN 0.300 nan 8.230 nan 0.000 0.433 223 G N -0.159 108.615 108.800 -0.044 0.000 2.422 223 G HA2 -0.247 3.713 3.960 0.000 0.000 0.218 223 G HA3 -0.247 3.713 3.960 0.000 0.000 0.218 223 G C 1.392 176.373 174.900 0.135 0.000 1.146 223 G CA 0.502 45.762 45.100 0.267 0.000 0.769 223 G HN 0.312 nan 8.290 nan 0.000 0.547 224 N N 0.099 118.772 118.700 -0.046 0.000 2.188 224 N HA -0.084 4.656 4.740 0.000 0.000 0.184 224 N C 1.824 177.240 175.510 -0.157 0.000 1.018 224 N CA 0.832 53.798 53.050 -0.140 0.000 0.858 224 N CB -0.338 38.007 38.487 -0.238 0.000 0.989 224 N HN 0.581 nan 8.380 nan 0.000 0.426 225 W N 1.590 122.840 121.300 -0.083 0.000 2.388 225 W HA 0.065 4.725 4.660 0.000 0.000 0.294 225 W C 2.490 178.982 176.519 -0.045 0.000 1.212 225 W CA 1.147 58.440 57.345 -0.086 0.000 1.271 225 W CB -0.414 28.950 29.460 -0.160 0.000 1.126 225 W HN 0.027 nan 8.180 nan 0.000 0.535 226 A N -0.181 122.759 122.820 0.199 0.000 1.940 226 A HA -0.177 4.143 4.320 0.000 0.000 0.219 226 A C 1.993 179.664 177.584 0.145 0.000 1.176 226 A CA 2.141 54.311 52.037 0.220 0.000 0.631 226 A CB -1.083 18.142 19.000 0.374 0.000 0.814 226 A HN 0.102 nan 8.150 nan 0.000 0.446 227 V N -0.374 119.610 119.914 0.116 0.000 2.270 227 V HA -0.191 3.929 4.120 0.000 0.000 0.245 227 V C 3.071 179.147 176.094 -0.030 0.000 1.043 227 V CA 1.870 64.181 62.300 0.019 0.000 1.014 227 V CB -1.178 30.660 31.823 0.026 0.000 0.645 227 V HN 0.607 nan 8.190 nan 0.000 0.447 228 A N -0.337 122.455 122.820 -0.048 0.000 1.940 228 A HA -0.153 4.167 4.320 0.000 0.000 0.219 228 A C 2.182 179.782 177.584 0.027 0.000 1.176 228 A CA 1.762 53.760 52.037 -0.065 0.000 0.631 228 A CB -0.515 18.362 19.000 -0.206 0.000 0.814 228 A HN 0.517 nan 8.150 nan 0.000 0.446 229 L N -1.160 120.119 121.223 0.094 0.000 2.179 229 L HA -0.094 4.246 4.340 0.000 0.000 0.208 229 L C 2.654 179.586 176.870 0.104 0.000 1.096 229 L CA 1.481 56.396 54.840 0.124 0.000 0.779 229 L CB -0.833 41.325 42.059 0.164 0.000 0.922 229 L HN 0.315 nan 8.230 nan 0.000 0.443 230 T N 0.151 114.758 114.554 0.088 0.000 2.777 230 T HA -0.125 4.225 4.350 0.000 0.000 0.266 230 T C 2.053 176.861 174.700 0.181 0.000 1.040 230 T CA 1.308 63.471 62.100 0.106 0.000 1.141 230 T CB -0.102 68.778 68.868 0.020 0.000 0.868 230 T HN 0.427 nan 8.240 nan 0.000 0.444 231 A N 1.316 124.206 122.820 0.116 0.000 1.877 231 A HA -0.008 4.312 4.320 0.000 0.000 0.216 231 A C 2.206 179.906 177.584 0.194 0.000 1.186 231 A CA 1.217 53.385 52.037 0.218 0.000 0.620 231 A CB -0.836 18.223 19.000 0.099 0.000 0.822 231 A HN 0.397 nan 8.150 nan 0.000 0.443 232 L N -0.756 120.539 121.223 0.119 0.000 2.131 232 L HA -0.087 4.253 4.340 0.000 0.000 0.210 232 L C 2.198 179.123 176.870 0.091 0.000 1.092 232 L CA 1.741 56.636 54.840 0.092 0.000 0.759 232 L CB -0.652 41.451 42.059 0.074 0.000 0.903 232 L HN 0.384 nan 8.230 nan 0.000 0.435 233 L N -0.244 121.044 121.223 0.109 0.000 2.046 233 L HA -0.106 4.234 4.340 0.000 0.000 0.208 233 L C 2.487 179.414 176.870 0.095 0.000 1.077 233 L CA 2.045 56.941 54.840 0.094 0.000 0.747 233 L CB -0.993 41.132 42.059 0.110 0.000 0.896 233 L HN 0.257 nan 8.230 nan 0.000 0.432 234 A N -0.827 122.082 122.820 0.149 0.000 1.933 234 A HA -0.210 4.110 4.320 0.000 0.000 0.218 234 A C 2.125 179.729 177.584 0.033 0.000 1.175 234 A CA 1.764 53.851 52.037 0.083 0.000 0.628 234 A CB -0.618 18.444 19.000 0.104 0.000 0.814 234 A HN 0.631 nan 8.150 nan 0.000 0.444 235 E N -1.147 119.087 120.200 0.058 0.000 2.338 235 E HA -0.115 4.235 4.350 0.000 0.000 0.197 235 E C 1.512 178.124 176.600 0.021 0.000 1.007 235 E CA 0.859 57.279 56.400 0.033 0.000 0.849 235 E CB -0.242 29.484 29.700 0.044 0.000 0.774 235 E HN 0.683 nan 8.360 nan 0.000 0.506 236 C N -0.135 119.180 119.300 0.025 0.000 2.735 236 C HA 0.190 4.650 4.460 0.000 0.000 0.271 236 C C 1.662 176.655 174.990 0.005 0.000 1.281 236 C CA -0.071 58.955 59.018 0.013 0.000 1.719 236 C CB -0.096 27.651 27.740 0.012 0.000 2.024 236 C HN 0.316 nan 8.230 nan 0.000 0.566 237 L N -0.056 121.170 121.223 0.005 0.000 3.168 237 L HA 0.287 4.627 4.340 0.000 0.000 0.277 237 L C 0.380 177.242 176.870 -0.015 0.000 1.245 237 L CA -0.063 54.775 54.840 -0.003 0.000 1.035 237 L CB -0.257 41.804 42.059 0.003 0.000 1.399 237 L HN 0.226 nan 8.230 nan 0.000 0.580 238 R N 0.526 121.014 120.500 -0.019 0.000 3.416 238 R HA -0.157 4.183 4.340 0.000 0.000 0.263 238 R C 0.743 177.008 176.300 -0.059 0.000 1.053 238 R CA 0.431 56.512 56.100 -0.031 0.000 0.705 238 R CB -1.934 28.356 30.300 -0.018 0.000 1.124 238 R HN 0.510 nan 8.270 nan 0.000 0.444 239 G N 0.638 109.388 108.800 -0.083 0.000 2.554 239 G HA2 0.153 4.113 3.960 0.000 0.000 0.238 239 G HA3 0.153 4.113 3.960 0.000 0.000 0.238 239 G C 0.008 174.762 174.900 -0.244 0.000 1.259 239 G CA -0.513 44.493 45.100 -0.156 0.000 0.843 239 G HN 0.235 nan 8.290 nan 0.000 0.582 240 R N 0.504 120.830 120.500 -0.290 0.000 2.221 240 R HA 0.241 4.581 4.340 0.000 0.000 0.327 240 R C 1.537 177.524 176.300 -0.521 0.000 1.033 240 R CA 0.188 56.108 56.100 -0.299 0.000 0.887 240 R CB 0.908 31.096 30.300 -0.187 0.000 1.057 240 R HN 0.703 nan 8.270 nan 0.000 0.455 241 T N -1.246 113.043 114.554 -0.441 0.000 3.085 241 T HA -0.122 4.228 4.350 0.000 0.000 0.263 241 T C 1.414 175.956 174.700 -0.262 0.000 1.127 241 T CA 0.796 62.613 62.100 -0.472 0.000 1.103 241 T CB -0.024 68.715 68.868 -0.215 0.000 0.921 241 T HN 0.738 nan 8.240 nan 0.000 0.510 242 E N 1.861 121.948 120.200 -0.188 0.000 2.204 242 E HA -0.033 4.317 4.350 0.000 0.000 0.195 242 E C 2.215 178.782 176.600 -0.055 0.000 0.990 242 E CA 0.931 57.281 56.400 -0.083 0.000 0.821 242 E CB -0.569 29.098 29.700 -0.055 0.000 0.750 242 E HN 0.601 nan 8.360 nan 0.000 0.477 243 A N 0.725 123.464 122.820 -0.136 0.000 2.121 243 A HA -0.085 4.235 4.320 0.000 0.000 0.218 243 A C 0.961 178.672 177.584 0.211 0.000 1.154 243 A CA 0.657 52.680 52.037 -0.023 0.000 0.679 243 A CB -0.600 18.352 19.000 -0.080 0.000 0.795 243 A HN 0.495 nan 8.150 nan 0.000 0.458 244 W N -0.321 120.977 121.300 -0.003 0.000 3.239 244 W HA 0.601 5.261 4.660 0.000 0.000 0.368 244 W C 0.808 177.327 176.519 0.001 0.000 1.154 244 W CA -1.089 56.256 57.345 -0.000 0.000 1.860 244 W CB -1.318 28.144 29.460 0.003 0.000 1.094 244 W HN 0.342 nan 8.180 nan 0.000 0.643 245 A N 0.834 123.763 122.820 0.182 0.000 2.498 245 A HA 0.433 4.754 4.320 0.000 0.000 0.239 245 A C 1.688 179.326 177.584 0.089 0.000 1.068 245 A CA 0.688 52.790 52.037 0.108 0.000 0.766 245 A CB 0.582 19.618 19.000 0.060 0.000 1.003 245 A HN 0.253 nan 8.150 nan 0.000 0.497 246 A N 2.414 125.275 122.820 0.068 0.000 1.978 246 A HA 0.105 4.426 4.320 0.000 0.000 0.220 246 A C 2.370 179.976 177.584 0.037 0.000 1.170 246 A CA 2.302 54.369 52.037 0.049 0.000 0.636 246 A CB -0.983 18.039 19.000 0.037 0.000 0.810 246 A HN 1.763 nan 8.150 nan 0.000 0.448 247 A N -0.221 122.619 122.820 0.034 0.000 1.940 247 A HA -0.107 4.213 4.320 0.000 0.000 0.219 247 A C 2.147 179.745 177.584 0.023 0.000 1.176 247 A CA 1.602 53.653 52.037 0.023 0.000 0.631 247 A CB -0.570 18.442 19.000 0.020 0.000 0.814 247 A HN 0.499 nan 8.150 nan 0.000 0.446 248 L N -0.671 120.572 121.223 0.034 0.000 2.093 248 L HA -0.133 4.207 4.340 0.000 0.000 0.208 248 L C 2.834 179.722 176.870 0.030 0.000 1.085 248 L CA 1.282 56.142 54.840 0.032 0.000 0.755 248 L CB -0.390 41.697 42.059 0.047 0.000 0.904 248 L HN 0.333 nan 8.230 nan 0.000 0.435 249 S N -0.235 115.487 115.700 0.036 0.000 2.356 249 S HA -0.187 4.283 4.470 0.000 0.000 0.223 249 S C 1.506 176.113 174.600 0.012 0.000 1.032 249 S CA 1.398 59.617 58.200 0.031 0.000 1.005 249 S CB -0.284 62.937 63.200 0.035 0.000 0.867 249 S HN 0.446 nan 8.310 nan 0.000 0.449 250 D N 1.396 121.801 120.400 0.009 0.000 2.178 250 D HA -0.029 4.611 4.640 0.000 0.000 0.201 250 D C 1.732 178.023 176.300 -0.015 0.000 0.980 250 D CA 0.675 54.673 54.000 -0.003 0.000 0.842 250 D CB -0.284 40.516 40.800 0.001 0.000 0.948 250 D HN 0.329 nan 8.370 nan 0.000 0.472 251 L N -0.551 120.667 121.223 -0.009 0.000 2.291 251 L HA 0.006 4.346 4.340 0.000 0.000 0.214 251 L C 1.551 178.402 176.870 -0.031 0.000 1.120 251 L CA 0.555 55.386 54.840 -0.015 0.000 0.799 251 L CB 0.152 42.208 42.059 -0.005 0.000 0.925 251 L HN -0.167 nan 8.230 nan 0.000 0.446 252 R N 0.730 121.210 120.500 -0.033 0.000 2.644 252 R HA 0.189 4.529 4.340 0.000 0.000 0.271 252 R C -2.219 174.021 176.300 -0.100 0.000 1.687 252 R CA -1.360 54.700 56.100 -0.066 0.000 1.655 252 R CB 0.900 31.204 30.300 0.008 0.000 1.285 252 R HN -0.150 nan 8.270 nan 0.000 0.643 253 P HA -0.081 nan 4.420 nan 0.000 0.297 253 P C -0.676 176.547 177.300 -0.129 0.000 1.544 253 P CA 0.236 63.268 63.100 -0.113 0.000 0.798 253 P CB -0.351 31.294 31.700 -0.091 0.000 1.757 254 H N 0.872 119.943 119.070 0.002 0.000 2.848 254 H HA 0.087 4.643 4.556 0.000 0.000 0.317 254 H C -1.304 174.037 175.328 0.021 0.000 1.046 254 H CA -1.452 54.600 56.048 0.006 0.000 1.470 254 H CB 0.519 30.279 29.762 -0.003 0.000 1.483 254 H HN 0.093 nan 8.280 nan 0.000 0.548 255 P HA -0.172 nan 4.420 nan 0.000 0.216 255 P C 1.655 179.029 177.300 0.124 0.000 1.157 255 P CA 1.754 64.915 63.100 0.103 0.000 0.880 255 P CB 0.102 31.857 31.700 0.091 0.000 0.791 256 G N -0.555 108.338 108.800 0.155 0.000 2.422 256 G HA2 -0.296 3.664 3.960 0.000 0.000 0.218 256 G HA3 -0.296 3.664 3.960 0.000 0.000 0.218 256 G C 1.672 176.676 174.900 0.173 0.000 1.146 256 G CA 0.682 45.907 45.100 0.208 0.000 0.769 256 G HN 0.328 nan 8.290 nan 0.000 0.547 257 Q N 0.063 119.926 119.800 0.106 0.000 2.083 257 Q HA -0.041 4.299 4.340 0.000 0.000 0.198 257 Q C 2.465 178.499 176.000 0.058 0.000 0.969 257 Q CA 1.406 57.241 55.803 0.053 0.000 0.838 257 Q CB -0.184 28.596 28.738 0.069 0.000 0.900 257 Q HN 0.501 nan 8.270 nan 0.000 0.436 258 K N 0.213 120.657 120.400 0.073 0.000 2.063 258 K HA -0.229 4.091 4.320 0.000 0.000 0.208 258 K C 1.669 178.299 176.600 0.050 0.000 1.048 258 K CA 1.868 58.186 56.287 0.052 0.000 0.928 258 K CB -0.154 32.373 32.500 0.045 0.000 0.713 258 K HN 0.182 nan 8.250 nan 0.000 0.442 259 D N -0.067 120.379 120.400 0.077 0.000 2.097 259 D HA -0.111 4.529 4.640 0.000 0.000 0.195 259 D C 1.711 178.067 176.300 0.093 0.000 0.989 259 D CA 1.572 55.617 54.000 0.074 0.000 0.827 259 D CB -0.093 40.759 40.800 0.086 0.000 0.966 259 D HN 0.320 nan 8.370 nan 0.000 0.456 260 A N 0.552 123.469 122.820 0.162 0.000 1.883 260 A HA -0.007 4.313 4.320 0.000 0.000 0.217 260 A C 2.394 179.934 177.584 -0.074 0.000 1.186 260 A CA 2.460 54.567 52.037 0.117 0.000 0.624 260 A CB -1.155 17.837 19.000 -0.013 0.000 0.822 260 A HN 0.327 nan 8.150 nan 0.000 0.444 261 A N -0.232 122.543 122.820 -0.075 0.000 1.902 261 A HA 0.157 4.477 4.320 0.000 0.000 0.217 261 A C 2.512 180.066 177.584 -0.049 0.000 1.181 261 A CA 2.154 54.130 52.037 -0.102 0.000 0.623 261 A CB -1.023 17.976 19.000 -0.001 0.000 0.818 261 A HN 1.084 nan 8.150 nan 0.000 0.443 262 A N -0.260 122.554 122.820 -0.010 0.000 1.902 262 A HA -0.147 4.173 4.320 0.000 0.000 0.217 262 A C 2.232 179.805 177.584 -0.018 0.000 1.181 262 A CA 1.585 53.623 52.037 0.003 0.000 0.623 262 A CB -0.415 18.590 19.000 0.007 0.000 0.818 262 A HN 0.545 nan 8.150 nan 0.000 0.443 263 R N -0.631 119.846 120.500 -0.038 0.000 2.092 263 R HA 0.053 4.393 4.340 0.000 0.000 0.231 263 R C 1.996 178.242 176.300 -0.089 0.000 1.119 263 R CA 1.188 57.254 56.100 -0.055 0.000 0.970 263 R CB -0.424 29.847 30.300 -0.047 0.000 0.864 263 R HN 0.494 nan 8.270 nan 0.000 0.440 264 L N 0.164 121.279 121.223 -0.179 0.000 2.056 264 L HA -0.155 4.185 4.340 0.000 0.000 0.207 264 L C 2.521 179.376 176.870 -0.026 0.000 1.078 264 L CA 1.401 56.050 54.840 -0.318 0.000 0.749 264 L CB -0.310 41.173 42.059 -0.960 0.000 0.901 264 L HN 0.139 nan 8.230 nan 0.000 0.433 265 R N -0.169 120.373 120.500 0.069 0.000 2.081 265 R HA -0.147 4.193 4.340 0.000 0.000 0.235 265 R C 2.400 178.756 176.300 0.093 0.000 1.131 265 R CA 1.354 57.554 56.100 0.167 0.000 0.960 265 R CB -0.522 29.857 30.300 0.131 0.000 0.856 265 R HN 0.360 nan 8.270 nan 0.000 0.436 266 A N 1.302 124.145 122.820 0.038 0.000 1.902 266 A HA -0.144 4.176 4.320 0.000 0.000 0.217 266 A C 2.046 179.640 177.584 0.017 0.000 1.181 266 A CA 1.069 53.117 52.037 0.017 0.000 0.623 266 A CB -0.262 18.733 19.000 -0.008 0.000 0.818 266 A HN 0.097 nan 8.150 nan 0.000 0.443 267 R N -0.187 120.320 120.500 0.011 0.000 2.091 267 R HA -0.121 4.219 4.340 0.000 0.000 0.238 267 R C 1.920 178.250 176.300 0.051 0.000 1.136 267 R CA 1.767 57.874 56.100 0.011 0.000 0.959 267 R CB -1.380 28.916 30.300 -0.006 0.000 0.856 267 R HN 0.679 nan 8.270 nan 0.000 0.437 268 V N -0.733 119.244 119.914 0.104 0.000 3.577 268 V HA 0.113 4.233 4.120 0.000 0.000 0.294 268 V C 0.156 176.290 176.094 0.067 0.000 1.317 268 V CA -0.586 61.778 62.300 0.107 0.000 1.169 268 V CB -0.569 31.361 31.823 0.178 0.000 1.011 268 V HN -0.078 nan 8.190 nan 0.000 0.426 269 D N 1.374 121.805 120.400 0.051 0.000 2.458 269 D HA 0.415 5.055 4.640 0.000 0.000 0.243 269 D C 1.463 177.775 176.300 0.020 0.000 1.146 269 D CA 1.933 55.952 54.000 0.032 0.000 0.877 269 D CB 0.568 41.382 40.800 0.023 0.000 1.176 269 D HN 0.559 nan 8.370 nan 0.000 0.461 270 G N 2.420 111.228 108.800 0.012 0.000 2.195 270 G HA2 -0.274 3.687 3.960 0.000 0.000 0.246 270 G HA3 -0.274 3.687 3.960 0.000 0.000 0.246 270 G C 0.500 175.404 174.900 0.006 0.000 0.984 270 G CA 0.339 45.443 45.100 0.007 0.000 0.633 270 G HN 0.802 nan 8.290 nan 0.000 0.525 271 S N 0.290 115.995 115.700 0.010 0.000 2.564 271 S HA 0.626 5.096 4.470 0.000 0.000 0.278 271 S C 1.301 175.897 174.600 -0.007 0.000 1.333 271 S CA 0.847 59.051 58.200 0.007 0.000 1.048 271 S CB 1.247 64.457 63.200 0.017 0.000 0.900 271 S HN 1.621 nan 8.310 nan 0.000 0.505 272 A N 5.281 128.097 122.820 -0.006 0.000 2.470 272 A HA 0.324 4.644 4.320 0.000 0.000 0.251 272 A C 1.768 179.344 177.584 -0.013 0.000 1.245 272 A CA -0.345 51.684 52.037 -0.012 0.000 0.932 272 A CB 0.074 19.071 19.000 -0.004 0.000 1.037 272 A HN 0.730 nan 8.150 nan 0.000 0.522 273 R N -0.126 120.368 120.500 -0.010 0.000 2.265 273 R HA 0.099 4.439 4.340 0.000 0.000 0.194 273 R C 0.826 177.112 176.300 -0.023 0.000 0.931 273 R CA 0.938 57.033 56.100 -0.009 0.000 1.032 273 R CB -0.481 29.820 30.300 0.002 0.000 0.980 273 R HN 0.497 nan 8.270 nan 0.000 0.497 274 V N -1.249 118.641 119.914 -0.040 0.000 2.997 274 V HA 0.428 4.549 4.120 0.000 0.000 0.311 274 V C 0.518 176.554 176.094 -0.097 0.000 1.066 274 V CA -0.921 61.333 62.300 -0.077 0.000 1.039 274 V CB 1.850 33.614 31.823 -0.099 0.000 1.081 274 V HN -0.259 nan 8.190 nan 0.000 0.467 275 V N 3.570 123.414 119.914 -0.117 0.000 2.383 275 V HA 0.455 4.575 4.120 0.000 0.000 0.275 275 V C 1.016 176.993 176.094 -0.195 0.000 1.036 275 V CA -0.286 61.945 62.300 -0.114 0.000 0.889 275 V CB 0.766 32.578 31.823 -0.019 0.000 0.985 275 V HN 0.930 nan 8.190 nan 0.000 0.459 276 R N 1.570 121.865 120.500 -0.342 0.000 2.334 276 R HA 0.192 4.532 4.340 0.000 0.000 0.212 276 R C -0.078 176.065 176.300 -0.262 0.000 0.897 276 R CA -0.179 55.748 56.100 -0.288 0.000 1.056 276 R CB 0.185 30.333 30.300 -0.254 0.000 1.046 276 R HN 0.779 nan 8.270 nan 0.000 0.513 277 H N -0.007 119.038 119.070 -0.042 0.000 2.815 277 H HA 0.080 4.636 4.556 0.000 0.000 0.350 277 H C -0.133 175.173 175.328 -0.036 0.000 1.080 277 H CA -0.264 55.764 56.048 -0.033 0.000 1.433 277 H CB 0.805 30.549 29.762 -0.029 0.000 1.432 277 H HN -0.217 nan 8.280 nan 0.000 0.592 278 V N 5.272 125.239 119.914 0.089 0.000 2.408 278 V HA -0.032 4.088 4.120 0.000 0.000 0.267 278 V C 1.769 177.890 176.094 0.044 0.000 1.047 278 V CA -0.024 62.300 62.300 0.040 0.000 0.937 278 V CB 0.085 31.923 31.823 0.024 0.000 0.999 278 V HN 0.815 nan 8.190 nan 0.000 0.472 279 I N 3.298 123.884 120.570 0.027 0.000 2.361 279 I HA -0.112 4.058 4.170 0.000 0.000 0.251 279 I C 2.080 178.200 176.117 0.006 0.000 1.133 279 I CA 1.920 63.228 61.300 0.014 0.000 1.413 279 I CB -0.266 37.736 38.000 0.004 0.000 1.073 279 I HN 0.562 nan 8.210 nan 0.000 0.424 280 A N 0.939 123.763 122.820 0.007 0.000 2.172 280 A HA -0.089 4.231 4.320 0.000 0.000 0.216 280 A C 2.133 179.719 177.584 0.004 0.000 1.154 280 A CA 1.053 53.093 52.037 0.004 0.000 0.701 280 A CB -0.520 18.483 19.000 0.005 0.000 0.789 280 A HN 0.507 nan 8.150 nan 0.000 0.465 281 E N 0.002 120.207 120.200 0.009 0.000 2.208 281 E HA -0.099 4.251 4.350 0.000 0.000 0.193 281 E C 1.111 177.710 176.600 -0.001 0.000 0.988 281 E CA 0.189 56.594 56.400 0.008 0.000 0.828 281 E CB -0.183 29.528 29.700 0.019 0.000 0.763 281 E HN 0.615 nan 8.360 nan 0.000 0.478 282 R N 1.647 122.142 120.500 -0.007 0.000 2.401 282 R HA 0.081 4.421 4.340 0.000 0.000 0.299 282 R C -0.366 175.926 176.300 -0.013 0.000 1.064 282 R CA 0.007 56.097 56.100 -0.017 0.000 1.000 282 R CB 0.411 30.694 30.300 -0.028 0.000 0.973 282 R HN -0.135 nan 8.270 nan 0.000 0.438 283 R N 5.177 125.669 120.500 -0.013 0.000 2.255 283 R HA 0.285 4.625 4.340 0.000 0.000 0.326 283 R C -0.420 175.873 176.300 -0.013 0.000 0.986 283 R CA -0.559 55.535 56.100 -0.010 0.000 0.847 283 R CB 1.143 31.438 30.300 -0.008 0.000 1.111 283 R HN 0.469 nan 8.270 nan 0.000 0.452 284 L N 2.759 123.975 121.223 -0.011 0.000 2.399 284 L HA 0.335 4.675 4.340 0.000 0.000 0.266 284 L C 0.224 177.088 176.870 -0.010 0.000 1.114 284 L CA -0.431 54.402 54.840 -0.012 0.000 0.804 284 L CB 0.745 42.797 42.059 -0.011 0.000 1.146 284 L HN 0.682 nan 8.230 nan 0.000 0.451 285 D N 0.516 120.909 120.400 -0.010 0.000 2.614 285 D HA 0.421 5.062 4.640 0.000 0.000 0.264 285 D C 0.488 176.783 176.300 -0.008 0.000 1.092 285 D CA -0.296 53.699 54.000 -0.009 0.000 1.071 285 D CB 1.232 42.026 40.800 -0.009 0.000 1.443 285 D HN 0.419 nan 8.370 nan 0.000 0.528 286 A N 0.035 122.851 122.820 -0.007 0.000 1.927 286 A HA -0.025 4.295 4.320 0.000 0.000 0.220 286 A C 2.027 179.607 177.584 -0.007 0.000 1.185 286 A CA 2.447 54.480 52.037 -0.007 0.000 0.639 286 A CB -1.695 17.301 19.000 -0.006 0.000 0.820 286 A HN 0.732 nan 8.150 nan 0.000 0.451 287 G N -1.191 107.604 108.800 -0.008 0.000 2.559 287 G HA2 -0.095 3.865 3.960 0.000 0.000 0.216 287 G HA3 -0.095 3.865 3.960 0.000 0.000 0.216 287 G C 0.889 175.783 174.900 -0.010 0.000 1.126 287 G CA 1.009 46.104 45.100 -0.009 0.000 0.778 287 G HN 0.523 nan 8.290 nan 0.000 0.543 288 D N 0.154 120.548 120.400 -0.011 0.000 2.346 288 D HA 0.042 4.682 4.640 0.000 0.000 0.206 288 D C 0.871 177.164 176.300 -0.011 0.000 1.001 288 D CA -0.097 53.896 54.000 -0.013 0.000 0.871 288 D CB 0.529 41.320 40.800 -0.015 0.000 0.943 288 D HN 0.131 nan 8.370 nan 0.000 0.518 289 I N 1.610 122.175 120.570 -0.009 0.000 2.505 289 I HA 0.318 4.488 4.170 0.000 0.000 0.287 289 I C 1.311 177.424 176.117 -0.008 0.000 1.104 289 I CA 0.672 61.967 61.300 -0.008 0.000 1.387 289 I CB 0.155 38.151 38.000 -0.006 0.000 1.404 289 I HN -0.028 nan 8.210 nan 0.000 0.528 290 G N 5.373 114.168 108.800 -0.008 0.000 2.336 290 G HA2 0.167 4.127 3.960 0.000 0.000 0.286 290 G HA3 0.167 4.127 3.960 0.000 0.000 0.286 290 G C -1.188 173.707 174.900 -0.008 0.000 1.269 290 G CA -0.634 44.462 45.100 -0.007 0.000 0.873 290 G HN 0.348 nan 8.290 nan 0.000 0.494 291 T N 2.076 116.625 114.554 -0.008 0.000 2.749 291 T HA 0.541 4.891 4.350 0.000 0.000 0.287 291 T C -0.125 174.569 174.700 -0.009 0.000 0.970 291 T CA -0.266 61.829 62.100 -0.008 0.000 0.980 291 T CB 1.225 70.088 68.868 -0.007 0.000 0.924 291 T HN 0.425 nan 8.240 nan 0.000 0.456 292 E N 3.311 123.504 120.200 -0.010 0.000 2.314 292 E HA 0.184 4.534 4.350 0.000 0.000 0.262 292 E C -1.333 175.260 176.600 -0.011 0.000 1.093 292 E CA -1.950 54.443 56.400 -0.012 0.000 0.908 292 E CB 0.639 30.331 29.700 -0.014 0.000 1.091 292 E HN 0.327 nan 8.360 nan 0.000 0.425 293 P HA -0.133 nan 4.420 nan 0.000 0.215 293 P C -0.491 176.803 177.300 -0.011 0.000 1.153 293 P CA 1.445 64.538 63.100 -0.011 0.000 0.853 293 P CB 0.319 32.013 31.700 -0.011 0.000 0.788 294 E N -1.588 118.605 120.200 -0.011 0.000 2.369 294 E HA 0.604 4.954 4.350 0.000 0.000 0.270 294 E C -0.952 175.643 176.600 -0.009 0.000 0.909 294 E CA -1.198 55.196 56.400 -0.010 0.000 0.775 294 E CB 1.945 31.639 29.700 -0.011 0.000 1.270 294 E HN -0.103 nan 8.360 nan 0.000 0.445 295 A N 0.540 123.356 122.820 -0.007 0.000 2.406 295 A HA 0.398 4.718 4.320 0.000 0.000 0.243 295 A C 1.177 178.759 177.584 -0.003 0.000 1.082 295 A CA 0.386 52.422 52.037 -0.003 0.000 0.786 295 A CB 0.030 19.031 19.000 0.002 0.000 1.029 295 A HN 0.788 nan 8.150 nan 0.000 0.495 296 G N -0.461 108.339 108.800 -0.001 0.000 2.848 296 G HA2 0.273 4.233 3.960 0.000 0.000 0.208 296 G HA3 0.273 4.233 3.960 0.000 0.000 0.208 296 G C 0.453 175.352 174.900 -0.002 0.000 1.152 296 G CA 0.388 45.487 45.100 -0.002 0.000 0.789 296 G HN 0.727 nan 8.290 nan 0.000 0.531 297 Q N -0.015 119.789 119.800 0.006 0.000 2.421 297 Q HA 0.307 4.647 4.340 0.000 0.000 0.280 297 Q C -1.491 174.522 176.000 0.021 0.000 1.085 297 Q CA -1.038 54.772 55.803 0.012 0.000 0.807 297 Q CB 2.017 30.777 28.738 0.036 0.000 1.405 297 Q HN 0.025 nan 8.270 nan 0.000 0.419 298 D N 0.674 121.086 120.400 0.019 0.000 2.354 298 D HA 0.377 5.017 4.640 0.000 0.000 0.247 298 D C -0.193 176.169 176.300 0.104 0.000 1.138 298 D CA -0.104 53.916 54.000 0.035 0.000 0.958 298 D CB 0.923 41.728 40.800 0.009 0.000 1.144 298 D HN 0.623 nan 8.370 nan 0.000 0.458 299 A N 0.578 123.451 122.820 0.087 0.000 2.386 299 A HA -0.005 4.315 4.320 0.000 0.000 0.246 299 A C 0.613 178.353 177.584 0.260 0.000 1.089 299 A CA -0.069 52.030 52.037 0.103 0.000 0.790 299 A CB -0.072 18.945 19.000 0.029 0.000 1.042 299 A HN 0.541 nan 8.150 nan 0.000 0.497 300 Y N 0.957 121.274 120.300 0.028 0.000 2.256 300 Y HA -0.194 4.356 4.550 0.000 0.000 0.288 300 Y C 2.891 178.824 175.900 0.055 0.000 1.155 300 Y CA 1.554 59.677 58.100 0.038 0.000 1.203 300 Y CB -1.275 37.199 38.460 0.023 0.000 0.980 300 Y HN 0.742 nan 8.280 nan 0.000 0.530 301 S N -1.113 114.713 115.700 0.210 0.000 2.500 301 S HA -0.098 4.372 4.470 0.000 0.000 0.239 301 S C 1.773 176.476 174.600 0.172 0.000 0.989 301 S CA 1.069 59.358 58.200 0.150 0.000 0.951 301 S CB -0.518 62.746 63.200 0.107 0.000 0.759 301 S HN 0.462 nan 8.310 nan 0.000 0.523 302 L N -0.377 120.967 121.223 0.201 0.000 2.588 302 L HA 0.363 4.703 4.340 0.000 0.000 0.194 302 L C 2.719 179.793 176.870 0.341 0.000 1.070 302 L CA 0.183 55.188 54.840 0.275 0.000 0.852 302 L CB -0.205 41.954 42.059 0.167 0.000 1.199 302 L HN 0.159 nan 8.230 nan 0.000 0.486 303 R N -0.010 120.614 120.500 0.206 0.000 2.105 303 R HA -0.146 4.194 4.340 0.000 0.000 0.239 303 R C 1.485 177.876 176.300 0.152 0.000 1.135 303 R CA 1.858 58.051 56.100 0.155 0.000 0.967 303 R CB -0.212 30.144 30.300 0.093 0.000 0.861 303 R HN 0.397 nan 8.270 nan 0.000 0.442 304 C N 0.310 119.656 119.300 0.077 0.000 2.688 304 C HA 0.447 4.907 4.460 0.000 0.000 0.297 304 C C 2.030 177.027 174.990 0.013 0.000 1.308 304 C CA -0.423 58.583 59.018 -0.020 0.000 1.726 304 C CB -0.474 27.157 27.740 -0.182 0.000 1.982 304 C HN 0.616 nan 8.230 nan 0.000 0.604 305 A N 2.619 125.492 122.820 0.089 0.000 1.902 305 A HA -0.081 4.239 4.320 0.000 0.000 0.217 305 A C 0.007 177.503 177.584 -0.146 0.000 1.181 305 A CA 1.724 53.748 52.037 -0.022 0.000 0.623 305 A CB -1.471 17.520 19.000 -0.016 0.000 0.818 305 A HN 0.417 nan 8.150 nan 0.000 0.443 306 P HA -0.140 nan 4.420 nan 0.000 0.217 306 P C 1.257 178.477 177.300 -0.134 0.000 1.150 306 P CA 1.413 64.414 63.100 -0.164 0.000 0.832 306 P CB -0.031 31.618 31.700 -0.085 0.000 0.787 307 Q N -0.972 118.770 119.800 -0.096 0.000 2.083 307 Q HA -0.073 4.267 4.340 0.000 0.000 0.198 307 Q C 2.127 178.037 176.000 -0.150 0.000 0.969 307 Q CA 1.216 56.957 55.803 -0.103 0.000 0.838 307 Q CB -1.346 27.341 28.738 -0.085 0.000 0.900 307 Q HN 0.089 nan 8.270 nan 0.000 0.436 308 V N 0.283 120.107 119.914 -0.150 0.000 2.283 308 V HA -0.198 3.922 4.120 0.000 0.000 0.243 308 V C 2.094 178.031 176.094 -0.262 0.000 1.039 308 V CA 1.431 63.632 62.300 -0.166 0.000 1.016 308 V CB -0.608 31.147 31.823 -0.114 0.000 0.650 308 V HN 0.298 nan 8.190 nan 0.000 0.449 309 L N 0.608 121.629 121.223 -0.336 0.000 2.042 309 L HA -0.120 4.221 4.340 0.000 0.000 0.210 309 L C 2.674 179.007 176.870 -0.894 0.000 1.076 309 L CA 1.865 56.319 54.840 -0.644 0.000 0.749 309 L CB -1.259 40.414 42.059 -0.645 0.000 0.893 309 L HN 0.492 nan 8.230 nan 0.000 0.432 310 G N -0.430 108.065 108.800 -0.509 0.000 2.442 310 G HA2 -0.257 3.704 3.960 0.000 0.000 0.219 310 G HA3 -0.257 3.704 3.960 0.000 0.000 0.219 310 G C 1.754 176.546 174.900 -0.181 0.000 1.141 310 G CA 0.858 45.794 45.100 -0.274 0.000 0.763 310 G HN 0.484 nan 8.290 nan 0.000 0.554 311 A N 0.740 123.431 122.820 -0.216 0.000 1.930 311 A HA 0.217 4.537 4.320 0.000 0.000 0.217 311 A C 2.683 180.199 177.584 -0.112 0.000 1.175 311 A CA 1.940 53.873 52.037 -0.173 0.000 0.627 311 A CB -0.895 17.993 19.000 -0.187 0.000 0.815 311 A HN 0.493 nan 8.150 nan 0.000 0.443 312 G N -1.061 107.635 108.800 -0.174 0.000 2.408 312 G HA2 -0.105 3.856 3.960 0.000 0.000 0.217 312 G HA3 -0.105 3.856 3.960 0.000 0.000 0.217 312 G C 1.278 176.253 174.900 0.126 0.000 1.150 312 G CA 1.004 46.051 45.100 -0.088 0.000 0.776 312 G HN 0.373 nan 8.290 nan 0.000 0.542 313 F N 1.723 121.677 119.950 0.008 0.000 2.186 313 F HA 0.037 4.564 4.527 0.000 0.000 0.299 313 F C 2.298 178.124 175.800 0.044 0.000 1.090 313 F CA 0.383 58.400 58.000 0.028 0.000 1.307 313 F CB -0.617 38.393 39.000 0.016 0.000 1.019 313 F HN 0.114 nan 8.300 nan 0.000 0.489 314 D N -0.579 119.951 120.400 0.216 0.000 2.178 314 D HA -0.101 4.539 4.640 0.000 0.000 0.202 314 D C 2.216 178.629 176.300 0.188 0.000 0.974 314 D CA 1.412 55.508 54.000 0.160 0.000 0.841 314 D CB -0.374 40.473 40.800 0.077 0.000 0.953 314 D HN 0.198 nan 8.370 nan 0.000 0.478 315 T N 1.207 115.862 114.554 0.169 0.000 2.737 315 T HA -0.120 4.230 4.350 0.000 0.000 0.265 315 T C 1.918 176.785 174.700 0.278 0.000 1.038 315 T CA 0.425 62.663 62.100 0.231 0.000 1.144 315 T CB -0.240 68.715 68.868 0.144 0.000 0.866 315 T HN 0.043 nan 8.240 nan 0.000 0.434 316 L N 1.487 122.832 121.223 0.202 0.000 2.083 316 L HA 0.098 4.438 4.340 0.000 0.000 0.209 316 L C 2.563 179.550 176.870 0.194 0.000 1.083 316 L CA 1.722 56.654 54.840 0.153 0.000 0.752 316 L CB -0.997 41.139 42.059 0.127 0.000 0.899 316 L HN 0.216 nan 8.230 nan 0.000 0.433 317 A N -1.115 121.824 122.820 0.199 0.000 1.902 317 A HA -0.283 4.037 4.320 0.000 0.000 0.217 317 A C 2.129 179.853 177.584 0.234 0.000 1.181 317 A CA 1.802 53.946 52.037 0.178 0.000 0.623 317 A CB -1.466 17.633 19.000 0.165 0.000 0.818 317 A HN 0.739 nan 8.150 nan 0.000 0.443 318 W N 0.382 121.743 121.300 0.102 0.000 2.355 318 W HA -0.185 4.475 4.660 0.000 0.000 0.309 318 W C 2.274 178.865 176.519 0.121 0.000 1.206 318 W CA 1.925 59.327 57.345 0.094 0.000 1.284 318 W CB -0.754 28.755 29.460 0.081 0.000 1.145 318 W HN 0.632 nan 8.180 nan 0.000 0.502 319 H N 0.184 119.189 119.070 -0.110 0.000 2.319 319 H HA -0.178 4.379 4.556 0.000 0.000 0.297 319 H C 1.395 176.605 175.328 -0.196 0.000 1.097 319 H CA 2.448 58.327 56.048 -0.283 0.000 1.285 319 H CB -0.569 29.142 29.762 -0.084 0.000 1.368 319 H HN 0.059 nan 8.280 nan 0.000 0.495 320 D N 0.249 120.715 120.400 0.110 0.000 2.144 320 D HA -0.078 4.562 4.640 0.000 0.000 0.200 320 D C 2.616 178.890 176.300 -0.044 0.000 0.978 320 D CA 0.607 54.636 54.000 0.048 0.000 0.833 320 D CB -0.226 40.641 40.800 0.111 0.000 0.961 320 D HN 0.377 nan 8.370 nan 0.000 0.470 321 R N 0.259 120.740 120.500 -0.030 0.000 2.073 321 R HA -0.068 4.272 4.340 0.000 0.000 0.234 321 R C 2.328 178.571 176.300 -0.095 0.000 1.134 321 R CA 0.807 56.897 56.100 -0.017 0.000 0.952 321 R CB -0.490 29.848 30.300 0.063 0.000 0.850 321 R HN 0.104 nan 8.270 nan 0.000 0.433 322 V N 1.408 121.183 119.914 -0.230 0.000 2.343 322 V HA -0.222 3.898 4.120 0.000 0.000 0.247 322 V C 2.222 178.171 176.094 -0.242 0.000 1.051 322 V CA 1.425 63.568 62.300 -0.261 0.000 1.036 322 V CB -0.437 31.115 31.823 -0.453 0.000 0.654 322 V HN 0.244 nan 8.190 nan 0.000 0.451 323 L N -0.026 121.015 121.223 -0.305 0.000 2.131 323 L HA -0.130 4.210 4.340 0.000 0.000 0.210 323 L C 2.395 179.176 176.870 -0.148 0.000 1.092 323 L CA 2.295 56.978 54.840 -0.261 0.000 0.759 323 L CB -0.944 40.906 42.059 -0.348 0.000 0.903 323 L HN 0.332 nan 8.230 nan 0.000 0.435 324 T N -0.201 114.291 114.554 -0.102 0.000 2.746 324 T HA -0.126 4.224 4.350 0.000 0.000 0.267 324 T C 1.964 176.637 174.700 -0.046 0.000 1.039 324 T CA 1.908 63.978 62.100 -0.050 0.000 1.142 324 T CB -0.258 68.622 68.868 0.021 0.000 0.866 324 T HN 0.318 nan 8.240 nan 0.000 0.444 325 I N 0.743 121.279 120.570 -0.057 0.000 2.226 325 I HA -0.149 4.021 4.170 0.000 0.000 0.245 325 I C 2.717 178.776 176.117 -0.097 0.000 1.100 325 I CA 1.281 62.545 61.300 -0.061 0.000 1.374 325 I CB -0.298 37.645 38.000 -0.094 0.000 1.057 325 I HN 0.210 nan 8.210 nan 0.000 0.413 326 E N 1.311 121.433 120.200 -0.130 0.000 2.051 326 E HA -0.259 4.091 4.350 0.000 0.000 0.192 326 E C 2.038 178.582 176.600 -0.093 0.000 0.991 326 E CA 1.299 57.625 56.400 -0.124 0.000 0.799 326 E CB -0.292 29.332 29.700 -0.128 0.000 0.748 326 E HN 0.298 nan 8.360 nan 0.000 0.449 327 L N 1.060 122.226 121.223 -0.095 0.000 2.042 327 L HA -0.124 4.216 4.340 0.000 0.000 0.210 327 L C 1.218 178.032 176.870 -0.093 0.000 1.076 327 L CA 1.881 56.666 54.840 -0.090 0.000 0.749 327 L CB -0.493 41.505 42.059 -0.101 0.000 0.893 327 L HN 0.160 nan 8.230 nan 0.000 0.432 328 N N -0.082 118.559 118.700 -0.098 0.000 2.314 328 N HA 0.189 4.929 4.740 0.000 0.000 0.200 328 N C 0.297 175.782 175.510 -0.043 0.000 1.135 328 N CA 0.623 53.624 53.050 -0.081 0.000 0.835 328 N CB 0.195 38.633 38.487 -0.082 0.000 0.989 328 N HN 0.435 nan 8.380 nan 0.000 0.478 329 A N 0.201 122.989 122.820 -0.053 0.000 2.248 329 A HA 0.582 4.902 4.320 0.000 0.000 0.316 329 A C 0.003 177.564 177.584 -0.040 0.000 1.101 329 A CA -0.400 51.608 52.037 -0.049 0.000 0.875 329 A CB 1.043 19.998 19.000 -0.074 0.000 1.207 329 A HN -0.035 nan 8.150 nan 0.000 0.504 330 V N 1.255 121.147 119.914 -0.037 0.000 2.311 330 V HA 0.298 4.418 4.120 0.000 0.000 0.275 330 V C 0.876 176.951 176.094 -0.032 0.000 1.022 330 V CA 0.397 62.682 62.300 -0.026 0.000 0.830 330 V CB 0.664 32.474 31.823 -0.021 0.000 1.012 330 V HN 1.034 nan 8.190 nan 0.000 0.452 331 T N -0.665 113.880 114.554 -0.016 0.000 3.186 331 T HA 0.196 4.546 4.350 0.000 0.000 0.257 331 T C 0.181 174.909 174.700 0.046 0.000 1.029 331 T CA -0.523 61.576 62.100 -0.002 0.000 0.916 331 T CB -0.322 68.553 68.868 0.013 0.000 1.041 331 T HN 0.529 nan 8.240 nan 0.000 0.562 332 D N 2.555 122.973 120.400 0.029 0.000 2.357 332 D HA 0.495 5.135 4.640 0.000 0.000 0.242 332 D C -0.067 176.261 176.300 0.046 0.000 1.153 332 D CA 0.141 54.171 54.000 0.050 0.000 0.918 332 D CB 0.477 41.289 40.800 0.019 0.000 1.181 332 D HN 0.327 nan 8.370 nan 0.000 0.435 333 N N 0.140 118.891 118.700 0.085 0.000 2.537 333 N HA 0.282 5.022 4.740 0.000 0.000 0.281 333 N C -2.918 172.612 175.510 0.034 0.000 1.097 333 N CA -1.314 51.762 53.050 0.043 0.000 0.964 333 N CB 1.868 40.515 38.487 0.266 0.000 1.588 333 N HN 0.021 nan 8.380 nan 0.000 0.511 334 P HA 0.334 nan 4.420 nan 0.000 0.279 334 P C -0.882 176.117 177.300 -0.502 0.000 1.282 334 P CA -0.431 62.398 63.100 -0.451 0.000 0.788 334 P CB 0.900 32.116 31.700 -0.808 0.000 1.139 335 V N -4.013 115.525 119.914 -0.628 0.000 3.040 335 V HA 0.636 4.756 4.120 0.000 0.000 0.312 335 V C -1.042 174.609 176.094 -0.738 0.000 1.115 335 V CA -0.949 61.023 62.300 -0.546 0.000 0.998 335 V CB 1.673 33.357 31.823 -0.231 0.000 1.042 335 V HN 0.232 nan 8.190 nan 0.000 0.433 336 F N 1.728 121.662 119.950 -0.027 0.000 2.359 336 F HA 0.608 5.135 4.527 0.000 0.000 0.369 336 F C -2.411 173.383 175.800 -0.010 0.000 1.084 336 F CA -2.475 55.517 58.000 -0.014 0.000 1.096 336 F CB 1.340 40.337 39.000 -0.004 0.000 1.335 336 F HN 0.289 nan 8.300 nan 0.000 0.457 337 P HA -0.035 nan 4.420 nan 0.000 0.256 337 P C -1.967 175.376 177.300 0.072 0.000 1.173 337 P CA -0.531 62.604 63.100 0.057 0.000 0.768 337 P CB 0.397 32.118 31.700 0.035 0.000 0.758 338 P HA -0.193 nan 4.420 nan 0.000 0.219 338 P C 0.823 178.143 177.300 0.034 0.000 1.146 338 P CA 1.398 64.524 63.100 0.044 0.000 0.808 338 P CB -0.095 31.624 31.700 0.031 0.000 0.779 339 D N -1.904 118.513 120.400 0.029 0.000 2.363 339 D HA 0.040 4.680 4.640 0.000 0.000 0.220 339 D C 1.435 177.751 176.300 0.027 0.000 0.994 339 D CA 0.841 54.855 54.000 0.023 0.000 0.890 339 D CB -1.196 39.614 40.800 0.017 0.000 0.906 339 D HN 0.172 nan 8.370 nan 0.000 0.530 340 G N 0.249 109.072 108.800 0.039 0.000 2.153 340 G HA2 -0.379 3.581 3.960 0.000 0.000 0.252 340 G HA3 -0.379 3.581 3.960 0.000 0.000 0.252 340 G C 1.228 176.152 174.900 0.039 0.000 0.994 340 G CA 1.117 46.243 45.100 0.043 0.000 0.698 340 G HN 0.630 nan 8.290 nan 0.000 0.521 341 S N -1.452 114.267 115.700 0.033 0.000 2.370 341 S HA 0.173 4.644 4.470 0.000 0.000 0.226 341 S C 1.221 175.841 174.600 0.033 0.000 1.033 341 S CA 1.938 60.154 58.200 0.027 0.000 1.011 341 S CB -0.403 62.809 63.200 0.020 0.000 0.852 341 S HN 2.041 nan 8.310 nan 0.000 0.457 342 V N -3.510 116.429 119.914 0.042 0.000 3.078 342 V HA 0.562 4.682 4.120 0.000 0.000 0.311 342 V C -2.492 173.648 176.094 0.078 0.000 1.138 342 V CA -2.192 60.139 62.300 0.052 0.000 1.007 342 V CB 1.239 33.087 31.823 0.042 0.000 1.045 342 V HN -0.120 nan 8.190 nan 0.000 0.432 343 P HA 0.173 nan 4.420 nan 0.000 0.215 343 P C 0.306 177.736 177.300 0.217 0.000 1.153 343 P CA 2.294 65.485 63.100 0.151 0.000 0.853 343 P CB 0.165 31.952 31.700 0.145 0.000 0.788 344 A N -2.121 120.771 122.820 0.120 0.000 2.601 344 A HA 0.663 4.983 4.320 0.000 0.000 0.291 344 A C -1.884 175.662 177.584 -0.064 0.000 1.075 344 A CA -0.528 51.483 52.037 -0.043 0.000 0.671 344 A CB 0.506 19.434 19.000 -0.120 0.000 1.277 344 A HN -0.043 nan 8.150 nan 0.000 0.417 345 L N 0.963 122.060 121.223 -0.211 0.000 2.381 345 L HA 0.588 4.928 4.340 0.000 0.000 0.268 345 L C -1.168 175.540 176.870 -0.269 0.000 0.997 345 L CA -0.692 54.078 54.840 -0.118 0.000 0.818 345 L CB 2.332 44.331 42.059 -0.101 0.000 1.310 345 L HN 0.864 nan 8.230 nan 0.000 0.416 346 H N 1.127 120.134 119.070 -0.106 0.000 2.505 346 H HA 0.753 5.309 4.556 0.000 0.000 0.338 346 H C 0.141 175.413 175.328 -0.093 0.000 1.057 346 H CA -0.165 55.823 56.048 -0.100 0.000 1.202 346 H CB 1.966 31.668 29.762 -0.100 0.000 1.466 346 H HN 0.737 nan 8.280 nan 0.000 0.499 347 G N 0.618 109.401 108.800 -0.029 0.000 2.772 347 G HA2 0.452 4.413 3.960 0.000 0.000 0.284 347 G HA3 0.452 4.413 3.960 0.000 0.000 0.284 347 G C -0.340 174.436 174.900 -0.207 0.000 1.217 347 G CA -0.324 44.721 45.100 -0.092 0.000 0.831 347 G HN 0.668 nan 8.290 nan 0.000 0.523 348 G N 0.014 108.568 108.800 -0.410 0.000 4.716 348 G HA2 0.299 4.260 3.960 0.000 0.000 0.282 348 G HA3 0.299 4.260 3.960 0.000 0.000 0.282 348 G C 0.196 174.502 174.900 -0.990 0.000 1.173 348 G CA -0.169 44.322 45.100 -1.014 0.000 0.913 348 G HN 0.264 nan 8.290 nan 0.000 0.566 349 N N 0.849 119.184 118.700 -0.608 0.000 2.571 349 N HA -0.029 4.711 4.740 0.000 0.000 0.189 349 N C 1.460 176.820 175.510 -0.250 0.000 1.154 349 N CA 0.270 53.119 53.050 -0.335 0.000 0.907 349 N CB -0.127 38.254 38.487 -0.176 0.000 0.977 349 N HN 0.632 nan 8.380 nan 0.000 0.449 350 F N -1.212 118.720 119.950 -0.030 0.000 2.789 350 F HA 0.335 4.862 4.527 0.000 0.000 0.300 350 F C 0.825 176.621 175.800 -0.006 0.000 1.132 350 F CA -0.797 57.190 58.000 -0.021 0.000 1.404 350 F CB -0.680 38.306 39.000 -0.024 0.000 1.114 350 F HN -0.168 nan 8.300 nan 0.000 0.584 351 M N 2.771 122.327 119.600 -0.072 0.000 2.350 351 M HA 0.350 4.830 4.480 0.000 0.000 0.338 351 M C 0.954 177.293 176.300 0.065 0.000 1.559 351 M CA -0.550 54.789 55.300 0.065 0.000 1.217 351 M CB 0.148 32.708 32.600 -0.067 0.000 1.808 351 M HN 0.237 nan 8.290 nan 0.000 0.458 352 G N 3.515 112.374 108.800 0.098 0.000 3.471 352 G HA2 0.037 3.998 3.960 0.000 0.000 0.254 352 G HA3 0.037 3.998 3.960 0.000 0.000 0.254 352 G C 0.673 175.608 174.900 0.059 0.000 1.199 352 G CA -0.197 44.947 45.100 0.074 0.000 1.683 352 G HN 0.817 nan 8.290 nan 0.000 0.625 353 Q N 0.001 119.831 119.800 0.051 0.000 2.167 353 Q HA -0.093 4.247 4.340 0.000 0.000 0.202 353 Q C 1.939 177.906 176.000 -0.054 0.000 0.970 353 Q CA 1.453 57.252 55.803 -0.007 0.000 0.855 353 Q CB -0.122 28.587 28.738 -0.047 0.000 0.911 353 Q HN 0.724 nan 8.270 nan 0.000 0.438 354 H N -1.708 117.340 119.070 -0.037 0.000 2.321 354 H HA -0.075 4.481 4.556 0.000 0.000 0.300 354 H C 1.801 177.050 175.328 -0.132 0.000 1.087 354 H CA 1.799 57.799 56.048 -0.080 0.000 1.319 354 H CB -0.019 29.683 29.762 -0.099 0.000 1.379 354 H HN 0.072 nan 8.280 nan 0.000 0.501 355 V N 0.455 120.376 119.914 0.010 0.000 2.548 355 V HA -0.204 3.916 4.120 0.000 0.000 0.249 355 V C 2.473 178.554 176.094 -0.022 0.000 1.055 355 V CA 1.338 63.605 62.300 -0.055 0.000 1.065 355 V CB -0.872 30.930 31.823 -0.036 0.000 0.681 355 V HN 0.568 nan 8.190 nan 0.000 0.462 356 A N 0.059 122.881 122.820 0.002 0.000 1.858 356 A HA -0.162 4.158 4.320 0.000 0.000 0.216 356 A C 2.200 179.798 177.584 0.024 0.000 1.190 356 A CA 1.812 53.861 52.037 0.020 0.000 0.617 356 A CB -0.526 18.488 19.000 0.023 0.000 0.827 356 A HN 0.480 nan 8.150 nan 0.000 0.443 357 L N -0.148 121.079 121.223 0.006 0.000 2.093 357 L HA -0.146 4.194 4.340 0.000 0.000 0.208 357 L C 2.989 179.906 176.870 0.080 0.000 1.085 357 L CA 1.812 56.686 54.840 0.057 0.000 0.755 357 L CB -0.922 41.182 42.059 0.076 0.000 0.904 357 L HN 0.674 nan 8.230 nan 0.000 0.435 358 T N -4.662 109.841 114.554 -0.084 0.000 2.904 358 T HA -0.087 4.263 4.350 0.000 0.000 0.267 358 T C 2.028 176.805 174.700 0.129 0.000 1.059 358 T CA 1.216 63.217 62.100 -0.165 0.000 1.137 358 T CB -0.204 68.354 68.868 -0.517 0.000 0.879 358 T HN 0.111 nan 8.240 nan 0.000 0.467 359 S N 1.633 117.402 115.700 0.116 0.000 2.368 359 S HA -0.092 4.378 4.470 0.000 0.000 0.224 359 S C 1.848 176.513 174.600 0.109 0.000 1.029 359 S CA 1.206 59.499 58.200 0.155 0.000 0.988 359 S CB -0.528 62.738 63.200 0.110 0.000 0.838 359 S HN 0.518 nan 8.310 nan 0.000 0.462 360 D N 1.596 122.053 120.400 0.094 0.000 2.144 360 D HA 0.017 4.657 4.640 0.000 0.000 0.199 360 D C 2.096 178.451 176.300 0.092 0.000 0.984 360 D CA 1.157 55.206 54.000 0.081 0.000 0.834 360 D CB -0.396 40.447 40.800 0.071 0.000 0.955 360 D HN 0.374 nan 8.370 nan 0.000 0.465 361 A N 0.649 123.558 122.820 0.148 0.000 1.898 361 A HA -0.115 4.205 4.320 0.000 0.000 0.216 361 A C 2.126 179.783 177.584 0.122 0.000 1.181 361 A CA 0.868 53.011 52.037 0.177 0.000 0.620 361 A CB -0.647 18.581 19.000 0.380 0.000 0.819 361 A HN 0.240 nan 8.150 nan 0.000 0.442 362 L N -0.171 121.119 121.223 0.112 0.000 2.093 362 L HA -0.020 4.320 4.340 0.000 0.000 0.208 362 L C 2.624 179.483 176.870 -0.018 0.000 1.085 362 L CA 2.024 56.874 54.840 0.017 0.000 0.755 362 L CB -0.838 41.151 42.059 -0.117 0.000 0.904 362 L HN 0.343 nan 8.230 nan 0.000 0.435 363 A N -1.455 121.370 122.820 0.008 0.000 1.908 363 A HA -0.227 4.093 4.320 0.000 0.000 0.218 363 A C 2.267 179.828 177.584 -0.038 0.000 1.181 363 A CA 2.412 54.445 52.037 -0.006 0.000 0.627 363 A CB -1.237 17.777 19.000 0.023 0.000 0.818 363 A HN 0.508 nan 8.150 nan 0.000 0.445 364 T N 0.238 114.779 114.554 -0.021 0.000 2.746 364 T HA -0.003 4.347 4.350 0.000 0.000 0.267 364 T C 2.222 176.868 174.700 -0.090 0.000 1.039 364 T CA 1.560 63.635 62.100 -0.042 0.000 1.142 364 T CB -0.460 68.398 68.868 -0.016 0.000 0.866 364 T HN 0.609 nan 8.240 nan 0.000 0.444 365 A N 0.951 123.719 122.820 -0.087 0.000 1.902 365 A HA -0.049 4.271 4.320 0.000 0.000 0.217 365 A C 2.576 179.993 177.584 -0.278 0.000 1.181 365 A CA 1.289 53.242 52.037 -0.140 0.000 0.623 365 A CB -1.004 17.948 19.000 -0.080 0.000 0.818 365 A HN 0.357 nan 8.150 nan 0.000 0.443 366 V N -0.258 119.480 119.914 -0.294 0.000 2.407 366 V HA -0.211 3.909 4.120 0.000 0.000 0.248 366 V C 2.725 178.502 176.094 -0.529 0.000 1.055 366 V CA 2.426 64.409 62.300 -0.529 0.000 1.049 366 V CB -1.122 30.549 31.823 -0.254 0.000 0.662 366 V HN 0.620 nan 8.190 nan 0.000 0.455 367 T N -0.250 114.137 114.554 -0.279 0.000 2.821 367 T HA -0.137 4.213 4.350 0.000 0.000 0.267 367 T C 1.947 176.514 174.700 -0.222 0.000 1.046 367 T CA 1.478 63.455 62.100 -0.205 0.000 1.139 367 T CB -0.143 68.661 68.868 -0.107 0.000 0.871 367 T HN 0.281 nan 8.240 nan 0.000 0.454 368 V N 1.219 121.000 119.914 -0.222 0.000 2.295 368 V HA -0.100 4.020 4.120 0.000 0.000 0.246 368 V C 2.397 178.349 176.094 -0.236 0.000 1.049 368 V CA 1.362 63.550 62.300 -0.186 0.000 1.024 368 V CB -0.557 31.171 31.823 -0.158 0.000 0.648 368 V HN 0.316 nan 8.190 nan 0.000 0.447 369 L N 0.275 121.265 121.223 -0.388 0.000 2.141 369 L HA -0.027 4.313 4.340 0.000 0.000 0.209 369 L C 2.537 179.188 176.870 -0.365 0.000 1.094 369 L CA 2.012 56.612 54.840 -0.399 0.000 0.763 369 L CB -1.120 40.589 42.059 -0.583 0.000 0.908 369 L HN 0.282 nan 8.230 nan 0.000 0.437 370 A N -0.560 121.903 122.820 -0.595 0.000 1.969 370 A HA -0.062 4.258 4.320 0.000 0.000 0.218 370 A C 2.418 179.975 177.584 -0.046 0.000 1.169 370 A CA 1.488 53.376 52.037 -0.249 0.000 0.635 370 A CB -1.207 17.665 19.000 -0.214 0.000 0.810 370 A HN 0.421 nan 8.150 nan 0.000 0.445 371 G N -0.077 108.668 108.800 -0.091 0.000 2.408 371 G HA2 -0.118 3.842 3.960 0.000 0.000 0.217 371 G HA3 -0.118 3.842 3.960 0.000 0.000 0.217 371 G C 1.478 176.378 174.900 0.001 0.000 1.150 371 G CA 1.152 46.233 45.100 -0.032 0.000 0.776 371 G HN 0.516 nan 8.290 nan 0.000 0.542 372 L N 1.436 122.653 121.223 -0.009 0.000 1.994 372 L HA 0.119 4.459 4.340 0.000 0.000 0.208 372 L C 3.018 179.930 176.870 0.070 0.000 1.071 372 L CA 2.399 57.256 54.840 0.028 0.000 0.745 372 L CB -0.770 41.297 42.059 0.014 0.000 0.892 372 L HN 0.210 nan 8.230 nan 0.000 0.431 373 A N -0.895 121.992 122.820 0.112 0.000 1.933 373 A HA -0.230 4.091 4.320 0.000 0.000 0.218 373 A C 2.329 179.973 177.584 0.100 0.000 1.175 373 A CA 1.722 53.845 52.037 0.144 0.000 0.628 373 A CB -0.784 18.365 19.000 0.249 0.000 0.814 373 A HN 0.613 nan 8.150 nan 0.000 0.444 374 E N 0.009 120.260 120.200 0.085 0.000 2.077 374 E HA -0.192 4.158 4.350 0.000 0.000 0.193 374 E C 2.034 178.668 176.600 0.056 0.000 0.989 374 E CA 0.864 57.303 56.400 0.066 0.000 0.800 374 E CB -0.212 29.520 29.700 0.054 0.000 0.746 374 E HN 0.384 nan 8.360 nan 0.000 0.452 375 R N 0.337 120.867 120.500 0.051 0.000 2.148 375 R HA -0.032 4.308 4.340 0.000 0.000 0.223 375 R C 2.347 178.676 176.300 0.049 0.000 1.088 375 R CA 0.748 56.875 56.100 0.045 0.000 0.985 375 R CB -0.344 29.981 30.300 0.041 0.000 0.880 375 R HN 0.402 nan 8.270 nan 0.000 0.451 376 Q N 0.018 119.853 119.800 0.058 0.000 2.119 376 Q HA -0.027 4.313 4.340 0.000 0.000 0.201 376 Q C 2.157 178.181 176.000 0.040 0.000 0.972 376 Q CA 1.067 56.904 55.803 0.058 0.000 0.847 376 Q CB -0.054 28.728 28.738 0.074 0.000 0.903 376 Q HN 0.305 nan 8.270 nan 0.000 0.433 377 I N 0.573 121.168 120.570 0.040 0.000 2.252 377 I HA -0.242 3.928 4.170 0.000 0.000 0.245 377 I C 2.407 178.551 176.117 0.044 0.000 1.102 377 I CA 0.916 62.234 61.300 0.029 0.000 1.385 377 I CB -0.389 37.633 38.000 0.038 0.000 1.064 377 I HN 0.136 nan 8.210 nan 0.000 0.414 378 A N 0.762 123.615 122.820 0.054 0.000 1.972 378 A HA -0.241 4.079 4.320 0.000 0.000 0.219 378 A C 2.440 180.041 177.584 0.030 0.000 1.169 378 A CA 1.852 53.925 52.037 0.061 0.000 0.635 378 A CB -0.609 18.425 19.000 0.056 0.000 0.810 378 A HN 0.409 nan 8.150 nan 0.000 0.446 379 R N -0.973 119.538 120.500 0.018 0.000 2.062 379 R HA 0.006 4.346 4.340 0.000 0.000 0.226 379 R C 2.008 178.297 176.300 -0.018 0.000 1.125 379 R CA 1.259 57.359 56.100 -0.000 0.000 0.966 379 R CB -0.402 29.905 30.300 0.012 0.000 0.861 379 R HN 0.376 nan 8.270 nan 0.000 0.433 380 L N 1.374 122.591 121.223 -0.010 0.000 2.127 380 L HA -0.113 4.227 4.340 0.000 0.000 0.211 380 L C 1.946 178.787 176.870 -0.049 0.000 1.089 380 L CA 2.441 57.266 54.840 -0.025 0.000 0.757 380 L CB -0.461 41.583 42.059 -0.025 0.000 0.899 380 L HN 0.451 nan 8.230 nan 0.000 0.434 381 T N -4.367 110.159 114.554 -0.046 0.000 3.107 381 T HA 0.038 4.388 4.350 0.000 0.000 0.249 381 T C 0.720 175.210 174.700 -0.350 0.000 1.096 381 T CA -0.127 61.917 62.100 -0.093 0.000 1.012 381 T CB -0.440 68.494 68.868 0.110 0.000 0.977 381 T HN 0.246 nan 8.240 nan 0.000 0.527 382 D N 2.658 122.918 120.400 -0.233 0.000 2.347 382 D HA 0.074 4.714 4.640 0.000 0.000 0.235 382 D C 1.322 177.497 176.300 -0.209 0.000 1.149 382 D CA -0.310 53.530 54.000 -0.266 0.000 0.850 382 D CB 1.261 41.991 40.800 -0.117 0.000 1.061 382 D HN 0.611 nan 8.370 nan 0.000 0.487 383 E N 3.284 123.334 120.200 -0.251 0.000 2.267 383 E HA -0.207 4.143 4.350 0.000 0.000 0.197 383 E C 1.069 177.620 176.600 -0.082 0.000 0.998 383 E CA 0.790 57.107 56.400 -0.138 0.000 0.830 383 E CB 0.073 29.707 29.700 -0.110 0.000 0.751 383 E HN 0.369 nan 8.360 nan 0.000 0.491 384 R N 0.009 120.462 120.500 -0.078 0.000 2.240 384 R HA 0.168 4.508 4.340 0.000 0.000 0.203 384 R C 1.766 178.042 176.300 -0.041 0.000 1.011 384 R CA 0.583 56.654 56.100 -0.047 0.000 1.007 384 R CB 0.170 30.448 30.300 -0.036 0.000 0.911 384 R HN 0.270 nan 8.270 nan 0.000 0.468 385 L N 0.131 121.323 121.223 -0.051 0.000 2.781 385 L HA 0.116 4.456 4.340 0.000 0.000 0.245 385 L C 0.550 177.399 176.870 -0.035 0.000 1.118 385 L CA -0.099 54.718 54.840 -0.038 0.000 0.918 385 L CB 0.214 42.252 42.059 -0.034 0.000 1.246 385 L HN 0.131 nan 8.230 nan 0.000 0.526 386 N N 0.786 119.458 118.700 -0.047 0.000 2.313 386 N HA -0.029 4.711 4.740 0.000 0.000 0.207 386 N C 0.044 175.537 175.510 -0.028 0.000 1.141 386 N CA -0.305 52.722 53.050 -0.038 0.000 0.830 386 N CB -0.152 38.304 38.487 -0.052 0.000 1.008 386 N HN 0.057 nan 8.380 nan 0.000 0.481 387 R N -0.458 120.026 120.500 -0.025 0.000 3.264 387 R HA -0.170 4.170 4.340 0.000 0.000 0.251 387 R C 0.771 177.060 176.300 -0.017 0.000 0.971 387 R CA 0.492 56.581 56.100 -0.019 0.000 0.658 387 R CB -2.099 28.192 30.300 -0.015 0.000 1.095 387 R HN 0.634 nan 8.270 nan 0.000 0.443 388 G N -0.982 107.807 108.800 -0.019 0.000 2.194 388 G HA2 -0.302 3.659 3.960 0.000 0.000 0.236 388 G HA3 -0.302 3.659 3.960 0.000 0.000 0.236 388 G C 0.267 175.158 174.900 -0.016 0.000 0.987 388 G CA 0.063 45.155 45.100 -0.014 0.000 0.635 388 G HN 0.260 nan 8.290 nan 0.000 0.520 389 L N 1.599 122.808 121.223 -0.023 0.000 2.436 389 L HA 0.406 4.746 4.340 0.000 0.000 0.265 389 L C -1.587 175.268 176.870 -0.025 0.000 1.168 389 L CA -1.963 52.862 54.840 -0.025 0.000 0.815 389 L CB 0.598 42.641 42.059 -0.026 0.000 1.109 389 L HN -0.086 nan 8.230 nan 0.000 0.462 390 P HA 0.030 nan 4.420 nan 0.000 0.267 390 P C -2.463 174.870 177.300 0.055 0.000 1.200 390 P CA -0.828 62.272 63.100 0.001 0.000 0.772 390 P CB -0.159 31.430 31.700 -0.186 0.000 0.855 391 P HA -0.007 nan 4.420 nan 0.000 0.267 391 P C -0.228 177.128 177.300 0.094 0.000 1.209 391 P CA 0.320 63.371 63.100 -0.081 0.000 0.763 391 P CB -0.128 31.563 31.700 -0.014 0.000 0.816 392 F N 1.577 121.627 119.950 0.166 0.000 3.069 392 F HA -0.243 4.284 4.527 0.000 0.000 0.285 392 F C 1.275 177.252 175.800 0.295 0.000 0.827 392 F CA 0.350 58.472 58.000 0.203 0.000 1.108 392 F CB -2.636 36.474 39.000 0.182 0.000 1.252 392 F HN 0.269 nan 8.300 nan 0.000 0.483 393 L N -1.657 119.730 121.223 0.274 0.000 3.737 393 L HA -0.312 4.028 4.340 0.000 0.000 0.418 393 L C 1.302 178.330 176.870 0.264 0.000 1.216 393 L CA 1.019 55.996 54.840 0.229 0.000 0.915 393 L CB -1.955 40.242 42.059 0.231 0.000 1.834 393 L HN 0.696 nan 8.230 nan 0.000 0.943 394 H N 0.394 119.590 119.070 0.209 0.000 2.603 394 H HA 0.690 5.246 4.556 0.000 0.000 0.370 394 H C 0.262 175.649 175.328 0.097 0.000 1.225 394 H CA -0.458 55.674 56.048 0.139 0.000 1.410 394 H CB 0.934 30.768 29.762 0.119 0.000 1.495 394 H HN 0.306 nan 8.280 nan 0.000 0.602 395 R N -0.260 120.241 120.500 0.002 0.000 2.888 395 R HA 0.482 4.822 4.340 0.000 0.000 0.266 395 R C -0.415 175.977 176.300 0.154 0.000 1.020 395 R CA -0.271 55.807 56.100 -0.037 0.000 0.963 395 R CB 2.110 32.412 30.300 0.003 0.000 1.197 395 R HN 1.112 nan 8.270 nan 0.000 0.481 396 G N 1.345 110.211 108.800 0.110 0.000 2.795 396 G HA2 -0.177 3.784 3.960 0.000 0.000 0.664 396 G HA3 -0.177 3.784 3.960 0.000 0.000 0.664 396 G C -2.745 172.283 174.900 0.213 0.000 1.381 396 G CA -1.260 43.918 45.100 0.130 0.000 0.853 396 G HN 0.373 nan 8.290 nan 0.000 0.545 397 P HA 0.433 nan 4.420 nan 0.000 0.264 397 P C 0.468 177.792 177.300 0.041 0.000 1.193 397 P CA 0.843 64.007 63.100 0.107 0.000 0.763 397 P CB 0.641 32.370 31.700 0.048 0.000 0.810 398 A N 3.424 126.245 122.820 0.001 0.000 2.445 398 A HA 0.475 4.796 4.320 0.000 0.000 0.242 398 A C 1.587 179.061 177.584 -0.183 0.000 1.075 398 A CA 0.835 52.660 52.037 -0.354 0.000 0.777 398 A CB -0.973 17.924 19.000 -0.172 0.000 1.013 398 A HN 0.810 nan 8.150 nan 0.000 0.493 399 G N 0.361 109.039 108.800 -0.205 0.000 3.757 399 G HA2 -0.297 3.663 3.960 0.000 0.000 0.215 399 G HA3 -0.297 3.663 3.960 0.000 0.000 0.215 399 G C 1.083 175.934 174.900 -0.081 0.000 1.411 399 G CA 0.489 45.530 45.100 -0.097 0.000 0.896 399 G HN 0.860 nan 8.290 nan 0.000 0.581 400 L N 1.102 122.286 121.223 -0.065 0.000 2.201 400 L HA 0.141 4.481 4.340 0.000 0.000 0.212 400 L C 0.848 177.691 176.870 -0.045 0.000 1.105 400 L CA 0.921 55.737 54.840 -0.040 0.000 0.775 400 L CB -0.287 41.762 42.059 -0.017 0.000 0.913 400 L HN 0.323 nan 8.230 nan 0.000 0.440 401 N N -1.407 117.250 118.700 -0.072 0.000 2.284 401 N HA 0.210 4.950 4.740 0.000 0.000 0.300 401 N C -0.099 175.350 175.510 -0.103 0.000 1.047 401 N CA -0.137 52.885 53.050 -0.047 0.000 0.821 401 N CB 2.135 40.655 38.487 0.055 0.000 1.337 401 N HN -0.214 nan 8.380 nan 0.000 0.482 402 S N 0.113 115.786 115.700 -0.046 0.000 2.603 402 S HA 0.250 4.721 4.470 0.000 0.000 0.232 402 S C 1.248 175.892 174.600 0.073 0.000 1.016 402 S CA 0.061 58.243 58.200 -0.030 0.000 0.976 402 S CB 0.541 63.672 63.200 -0.114 0.000 0.921 402 S HN 0.940 nan 8.310 nan 0.000 0.516 403 G N 2.462 111.301 108.800 0.065 0.000 2.629 403 G HA2 -0.342 3.618 3.960 0.000 0.000 0.313 403 G HA3 -0.342 3.618 3.960 0.000 0.000 0.313 403 G C 0.208 175.016 174.900 -0.153 0.000 1.217 403 G CA 0.743 45.852 45.100 0.014 0.000 0.994 403 G HN 0.461 nan 8.290 nan 0.000 0.549 404 F N 1.342 121.380 119.950 0.146 0.000 2.663 404 F HA 0.484 5.011 4.527 0.000 0.000 0.299 404 F C 2.358 178.191 175.800 0.056 0.000 1.143 404 F CA 0.880 58.940 58.000 0.101 0.000 1.387 404 F CB 0.179 39.254 39.000 0.126 0.000 1.019 404 F HN 0.324 nan 8.300 nan 0.000 0.523 405 M N 0.029 119.635 119.600 0.011 0.000 2.149 405 M HA -0.121 4.359 4.480 0.000 0.000 0.261 405 M C 2.388 178.561 176.300 -0.212 0.000 1.064 405 M CA 2.218 57.258 55.300 -0.434 0.000 1.102 405 M CB -0.431 31.666 32.600 -0.839 0.000 1.369 405 M HN 0.319 nan 8.290 nan 0.000 0.408 406 G N -0.839 107.894 108.800 -0.112 0.000 2.394 406 G HA2 -0.100 3.860 3.960 0.000 0.000 0.215 406 G HA3 -0.100 3.860 3.960 0.000 0.000 0.215 406 G C 1.478 176.382 174.900 0.007 0.000 1.165 406 G CA 0.717 45.780 45.100 -0.062 0.000 0.784 406 G HN 0.609 nan 8.290 nan 0.000 0.535 407 A N -0.067 122.794 122.820 0.069 0.000 1.972 407 A HA -0.080 4.241 4.320 0.000 0.000 0.219 407 A C 2.266 179.917 177.584 0.112 0.000 1.169 407 A CA 2.000 54.108 52.037 0.117 0.000 0.635 407 A CB -0.386 18.757 19.000 0.239 0.000 0.810 407 A HN 0.385 nan 8.150 nan 0.000 0.446 408 Q N 0.097 119.977 119.800 0.135 0.000 2.084 408 Q HA -0.116 4.224 4.340 0.000 0.000 0.202 408 Q C 2.089 178.139 176.000 0.084 0.000 0.978 408 Q CA 2.043 57.925 55.803 0.132 0.000 0.844 408 Q CB -0.296 28.573 28.738 0.218 0.000 0.898 408 Q HN 0.422 nan 8.270 nan 0.000 0.426 409 V N 0.594 120.536 119.914 0.048 0.000 2.427 409 V HA -0.201 3.919 4.120 0.000 0.000 0.248 409 V C 2.359 178.470 176.094 0.030 0.000 1.051 409 V CA 2.007 64.324 62.300 0.029 0.000 1.048 409 V CB -0.809 31.012 31.823 -0.004 0.000 0.666 409 V HN 0.380 nan 8.190 nan 0.000 0.456 410 T N 0.448 115.020 114.554 0.030 0.000 2.788 410 T HA -0.175 4.175 4.350 0.000 0.000 0.268 410 T C 2.064 176.787 174.700 0.037 0.000 1.044 410 T CA 1.608 63.725 62.100 0.029 0.000 1.139 410 T CB -0.372 68.514 68.868 0.030 0.000 0.867 410 T HN 0.578 nan 8.240 nan 0.000 0.454 411 A N 1.234 124.083 122.820 0.048 0.000 1.902 411 A HA -0.130 4.190 4.320 0.000 0.000 0.217 411 A C 2.554 180.167 177.584 0.048 0.000 1.181 411 A CA 2.093 54.160 52.037 0.051 0.000 0.623 411 A CB -1.207 17.828 19.000 0.058 0.000 0.818 411 A HN 0.478 nan 8.150 nan 0.000 0.443 412 T N 0.324 114.906 114.554 0.046 0.000 2.746 412 T HA -0.014 4.336 4.350 0.000 0.000 0.267 412 T C 2.213 176.931 174.700 0.031 0.000 1.039 412 T CA 1.542 63.666 62.100 0.039 0.000 1.142 412 T CB -0.445 68.446 68.868 0.039 0.000 0.866 412 T HN 0.599 nan 8.240 nan 0.000 0.444 413 A N 1.241 124.078 122.820 0.028 0.000 1.933 413 A HA 0.020 4.340 4.320 0.000 0.000 0.218 413 A C 2.299 179.898 177.584 0.025 0.000 1.175 413 A CA 1.156 53.207 52.037 0.023 0.000 0.628 413 A CB -0.818 18.194 19.000 0.019 0.000 0.814 413 A HN 0.477 nan 8.150 nan 0.000 0.444 414 L N -1.173 120.069 121.223 0.032 0.000 2.056 414 L HA -0.156 4.184 4.340 0.000 0.000 0.207 414 L C 2.557 179.449 176.870 0.037 0.000 1.078 414 L CA 1.159 56.021 54.840 0.037 0.000 0.749 414 L CB -0.538 41.549 42.059 0.046 0.000 0.901 414 L HN 0.471 nan 8.230 nan 0.000 0.433 415 L N 0.242 121.487 121.223 0.036 0.000 2.056 415 L HA -0.107 4.233 4.340 0.000 0.000 0.207 415 L C 2.650 179.529 176.870 0.015 0.000 1.078 415 L CA 1.952 56.807 54.840 0.025 0.000 0.749 415 L CB -0.712 41.361 42.059 0.024 0.000 0.901 415 L HN 0.130 nan 8.230 nan 0.000 0.433 416 A N -0.765 122.065 122.820 0.017 0.000 1.908 416 A HA -0.296 4.024 4.320 0.000 0.000 0.218 416 A C 2.342 179.933 177.584 0.013 0.000 1.181 416 A CA 1.960 54.005 52.037 0.013 0.000 0.627 416 A CB -0.790 18.218 19.000 0.014 0.000 0.818 416 A HN 0.638 nan 8.150 nan 0.000 0.445 417 E N -0.722 119.488 120.200 0.016 0.000 2.110 417 E HA -0.180 4.170 4.350 0.000 0.000 0.193 417 E C 2.039 178.649 176.600 0.017 0.000 0.988 417 E CA 1.253 57.663 56.400 0.017 0.000 0.804 417 E CB -0.195 29.516 29.700 0.020 0.000 0.745 417 E HN 0.683 nan 8.360 nan 0.000 0.458 418 M N -0.026 119.585 119.600 0.017 0.000 2.108 418 M HA -0.166 4.314 4.480 0.000 0.000 0.261 418 M C 2.305 178.608 176.300 0.006 0.000 1.066 418 M CA 1.538 56.846 55.300 0.013 0.000 1.107 418 M CB -0.182 32.422 32.600 0.007 0.000 1.356 418 M HN 0.010 nan 8.290 nan 0.000 0.406 419 R N 0.111 120.612 120.500 0.002 0.000 2.193 419 R HA -0.041 4.299 4.340 0.000 0.000 0.229 419 R C 2.179 178.483 176.300 0.007 0.000 1.110 419 R CA 1.113 57.213 56.100 -0.000 0.000 0.988 419 R CB -0.454 29.845 30.300 -0.002 0.000 0.871 419 R HN 0.377 nan 8.270 nan 0.000 0.458 420 A N 0.558 123.384 122.820 0.010 0.000 2.067 420 A HA -0.028 4.292 4.320 0.000 0.000 0.219 420 A C 0.793 178.388 177.584 0.018 0.000 1.158 420 A CA 0.895 52.940 52.037 0.013 0.000 0.661 420 A CB 0.101 19.108 19.000 0.011 0.000 0.801 420 A HN 0.106 nan 8.150 nan 0.000 0.452 421 T N 0.142 114.708 114.554 0.020 0.000 2.771 421 T HA 0.553 4.903 4.350 0.000 0.000 0.281 421 T C 0.435 175.157 174.700 0.036 0.000 0.982 421 T CA 0.049 62.166 62.100 0.028 0.000 0.978 421 T CB 1.535 70.419 68.868 0.026 0.000 0.930 421 T HN 0.368 nan 8.240 nan 0.000 0.447 422 G N 2.962 111.797 108.800 0.058 0.000 2.795 422 G HA2 0.675 4.635 3.960 0.000 0.000 0.267 422 G HA3 0.675 4.635 3.960 0.000 0.000 0.267 422 G C -2.650 172.297 174.900 0.080 0.000 1.362 422 G CA -1.646 43.492 45.100 0.062 0.000 1.048 422 G HN 0.437 nan 8.290 nan 0.000 0.547 423 P HA 0.240 nan 4.420 nan 0.000 0.265 423 P C 0.334 177.699 177.300 0.108 0.000 1.187 423 P CA 0.417 63.553 63.100 0.060 0.000 0.766 423 P CB 1.262 32.974 31.700 0.020 0.000 0.820 424 A N 2.011 124.897 122.820 0.110 0.000 2.044 424 A HA -0.034 4.286 4.320 0.000 0.000 0.213 424 A C 2.076 179.735 177.584 0.125 0.000 1.169 424 A CA 0.975 53.117 52.037 0.175 0.000 0.724 424 A CB -0.960 18.110 19.000 0.117 0.000 0.840 424 A HN 0.472 nan 8.150 nan 0.000 0.463 425 S N 0.546 116.273 115.700 0.044 0.000 2.419 425 S HA -0.179 4.291 4.470 0.000 0.000 0.235 425 S C 1.674 176.241 174.600 -0.055 0.000 1.019 425 S CA 1.574 59.779 58.200 0.008 0.000 0.982 425 S CB -0.666 62.538 63.200 0.007 0.000 0.789 425 S HN 0.794 nan 8.310 nan 0.000 0.490 426 I N -1.414 119.051 120.570 -0.176 0.000 3.444 426 I HA 0.072 4.242 4.170 0.000 0.000 0.287 426 I C 0.658 176.552 176.117 -0.372 0.000 1.302 426 I CA 0.913 62.044 61.300 -0.281 0.000 1.368 426 I CB -0.320 37.472 38.000 -0.346 0.000 1.048 426 I HN 0.155 nan 8.210 nan 0.000 0.487 427 H N 1.200 120.281 119.070 0.018 0.000 2.524 427 H HA 0.311 4.867 4.556 0.000 0.000 0.299 427 H C 0.624 175.964 175.328 0.019 0.000 1.074 427 H CA -0.232 55.827 56.048 0.018 0.000 1.115 427 H CB 0.103 29.876 29.762 0.018 0.000 1.522 427 H HN 0.309 nan 8.280 nan 0.000 0.543 428 S N 1.247 116.990 115.700 0.072 0.000 2.552 428 S HA 0.187 4.657 4.470 0.000 0.000 0.289 428 S C 0.279 174.917 174.600 0.063 0.000 1.304 428 S CA -0.211 58.026 58.200 0.062 0.000 1.063 428 S CB -0.016 63.206 63.200 0.037 0.000 0.848 428 S HN 0.298 nan 8.310 nan 0.000 0.499 429 I N 3.438 124.044 120.570 0.060 0.000 2.533 429 I HA 0.220 4.390 4.170 0.000 0.000 0.290 429 I C 0.053 176.196 176.117 0.043 0.000 1.056 429 I CA -0.635 60.695 61.300 0.051 0.000 1.057 429 I CB 2.137 40.167 38.000 0.051 0.000 1.240 429 I HN 0.587 nan 8.210 nan 0.000 0.423 430 S N 4.076 119.798 115.700 0.038 0.000 2.525 430 S HA 0.262 4.733 4.470 0.000 0.000 0.285 430 S C -0.199 174.422 174.600 0.035 0.000 1.283 430 S CA 0.387 58.609 58.200 0.036 0.000 1.072 430 S CB 0.279 63.497 63.200 0.031 0.000 0.867 430 S HN 0.772 nan 8.310 nan 0.000 0.492 431 T N 3.092 117.668 114.554 0.037 0.000 2.654 431 T HA 0.418 4.768 4.350 0.000 0.000 0.289 431 T C -0.285 174.436 174.700 0.036 0.000 1.062 431 T CA -0.132 61.989 62.100 0.035 0.000 1.041 431 T CB 0.769 69.658 68.868 0.036 0.000 1.417 431 T HN 0.905 nan 8.240 nan 0.000 0.510 432 N N 0.511 119.232 118.700 0.035 0.000 2.727 432 N HA -0.227 4.513 4.740 0.000 0.000 0.251 432 N C 0.282 175.813 175.510 0.035 0.000 1.040 432 N CA 0.744 53.817 53.050 0.037 0.000 0.712 432 N CB -1.165 37.347 38.487 0.043 0.000 0.912 432 N HN 1.496 nan 8.380 nan 0.000 0.545 433 A N -0.664 122.173 122.820 0.029 0.000 2.783 433 A HA -0.001 4.319 4.320 0.000 0.000 0.292 433 A C 1.332 178.932 177.584 0.028 0.000 1.495 433 A CA 2.067 54.119 52.037 0.025 0.000 0.787 433 A CB -2.265 16.749 19.000 0.024 0.000 1.017 433 A HN 2.234 nan 8.150 nan 0.000 0.516 434 A N -2.396 120.442 122.820 0.029 0.000 3.396 434 A HA -0.362 3.958 4.320 0.000 0.000 0.267 434 A C 1.407 179.012 177.584 0.035 0.000 1.139 434 A CA 2.024 54.079 52.037 0.030 0.000 1.115 434 A CB -2.536 16.479 19.000 0.025 0.000 1.133 434 A HN 2.215 nan 8.150 nan 0.000 0.920 435 N N 0.060 118.784 118.700 0.039 0.000 2.142 435 N HA -0.102 4.638 4.740 0.000 0.000 0.186 435 N C 1.004 176.545 175.510 0.052 0.000 1.023 435 N CA 1.891 54.969 53.050 0.046 0.000 0.852 435 N CB -0.180 38.338 38.487 0.051 0.000 0.998 435 N HN 0.758 nan 8.380 nan 0.000 0.424 436 Q N 0.565 120.396 119.800 0.052 0.000 3.091 436 Q HA 0.060 4.400 4.340 0.000 0.000 0.301 436 Q C -0.365 175.668 176.000 0.054 0.000 1.337 436 Q CA -0.263 55.577 55.803 0.061 0.000 1.083 436 Q CB 0.486 29.257 28.738 0.055 0.000 1.477 436 Q HN 0.513 nan 8.270 nan 0.000 0.537 437 D N -0.443 119.987 120.400 0.049 0.000 2.350 437 D HA -0.085 4.555 4.640 0.000 0.000 0.216 437 D C 0.669 176.993 176.300 0.040 0.000 0.968 437 D CA 0.439 54.462 54.000 0.040 0.000 0.894 437 D CB 0.073 40.893 40.800 0.032 0.000 0.909 437 D HN 0.209 nan 8.370 nan 0.000 0.520 438 V N -1.856 118.087 119.914 0.048 0.000 2.760 438 V HA 0.758 4.878 4.120 0.000 0.000 0.309 438 V C -0.419 175.713 176.094 0.062 0.000 1.077 438 V CA -1.171 61.156 62.300 0.046 0.000 0.910 438 V CB 1.900 33.743 31.823 0.035 0.000 1.008 438 V HN 0.116 nan 8.190 nan 0.000 0.424 439 V N 0.943 120.892 119.914 0.059 0.000 3.007 439 V HA 0.779 4.899 4.120 0.000 0.000 0.311 439 V C 1.029 177.160 176.094 0.061 0.000 1.120 439 V CA 0.267 62.610 62.300 0.071 0.000 0.980 439 V CB 1.436 33.299 31.823 0.067 0.000 1.033 439 V HN 1.333 nan 8.190 nan 0.000 0.429 440 S N 2.350 118.091 115.700 0.068 0.000 2.406 440 S HA 0.098 4.569 4.470 0.000 0.000 0.224 440 S C 1.158 175.790 174.600 0.053 0.000 1.030 440 S CA 1.124 59.356 58.200 0.054 0.000 0.958 440 S CB -0.842 62.392 63.200 0.058 0.000 0.811 440 S HN 1.423 nan 8.310 nan 0.000 0.489 441 L N 0.356 121.615 121.223 0.059 0.000 4.040 441 L HA -0.196 4.144 4.340 0.000 0.000 0.410 441 L C 1.509 178.412 176.870 0.055 0.000 1.187 441 L CA 0.023 54.899 54.840 0.060 0.000 0.956 441 L CB -2.289 39.814 42.059 0.074 0.000 2.022 441 L HN 0.534 nan 8.230 nan 0.000 0.897 442 G N -0.340 108.490 108.800 0.050 0.000 2.422 442 G HA2 -0.209 3.751 3.960 0.000 0.000 0.218 442 G HA3 -0.209 3.751 3.960 0.000 0.000 0.218 442 G C 1.278 176.204 174.900 0.043 0.000 1.146 442 G CA 1.414 46.541 45.100 0.044 0.000 0.769 442 G HN 0.468 nan 8.290 nan 0.000 0.547 443 T N 1.338 115.917 114.554 0.041 0.000 2.777 443 T HA -0.031 4.319 4.350 0.000 0.000 0.266 443 T C 2.379 177.103 174.700 0.040 0.000 1.040 443 T CA 0.972 63.094 62.100 0.037 0.000 1.141 443 T CB -0.130 68.756 68.868 0.030 0.000 0.868 443 T HN 0.269 nan 8.240 nan 0.000 0.444 444 I N 1.633 122.229 120.570 0.043 0.000 2.226 444 I HA -0.163 4.007 4.170 0.000 0.000 0.245 444 I C 3.013 179.161 176.117 0.053 0.000 1.100 444 I CA 1.109 62.435 61.300 0.045 0.000 1.374 444 I CB -0.545 37.484 38.000 0.048 0.000 1.057 444 I HN 0.207 nan 8.210 nan 0.000 0.413 445 A N 0.797 123.652 122.820 0.058 0.000 1.908 445 A HA -0.212 4.109 4.320 0.000 0.000 0.218 445 A C 2.537 180.160 177.584 0.065 0.000 1.181 445 A CA 2.061 54.136 52.037 0.063 0.000 0.627 445 A CB -0.898 18.139 19.000 0.061 0.000 0.818 445 A HN 0.444 nan 8.150 nan 0.000 0.445 446 A N -0.448 122.411 122.820 0.064 0.000 1.930 446 A HA -0.134 4.186 4.320 0.000 0.000 0.217 446 A C 2.249 179.874 177.584 0.069 0.000 1.175 446 A CA 1.488 53.571 52.037 0.076 0.000 0.627 446 A CB -0.419 18.623 19.000 0.070 0.000 0.815 446 A HN 0.556 nan 8.150 nan 0.000 0.443 447 R N -0.525 120.008 120.500 0.056 0.000 2.075 447 R HA 0.035 4.375 4.340 0.000 0.000 0.232 447 R C 1.996 178.327 176.300 0.052 0.000 1.126 447 R CA 1.281 57.411 56.100 0.051 0.000 0.963 447 R CB -0.446 29.878 30.300 0.040 0.000 0.858 447 R HN 0.490 nan 8.270 nan 0.000 0.435 448 L N -0.191 121.062 121.223 0.051 0.000 2.093 448 L HA -0.218 4.122 4.340 0.000 0.000 0.208 448 L C 2.747 179.648 176.870 0.052 0.000 1.085 448 L CA 0.776 55.645 54.840 0.048 0.000 0.755 448 L CB -0.520 41.568 42.059 0.049 0.000 0.904 448 L HN 0.382 nan 8.230 nan 0.000 0.435 449 C N 0.363 119.698 119.300 0.058 0.000 2.446 449 C HA -0.156 4.304 4.460 0.000 0.000 0.277 449 C C 3.100 178.132 174.990 0.069 0.000 1.275 449 C CA 0.882 59.934 59.018 0.057 0.000 1.727 449 C CB -0.534 27.242 27.740 0.060 0.000 2.010 449 C HN 0.498 nan 8.230 nan 0.000 0.486 450 R N 1.265 121.810 120.500 0.075 0.000 2.091 450 R HA -0.087 4.253 4.340 0.000 0.000 0.238 450 R C 2.113 178.463 176.300 0.083 0.000 1.136 450 R CA 2.031 58.181 56.100 0.084 0.000 0.959 450 R CB -0.799 29.548 30.300 0.079 0.000 0.856 450 R HN 0.531 nan 8.270 nan 0.000 0.437 451 E N 0.728 120.969 120.200 0.068 0.000 2.118 451 E HA -0.185 4.165 4.350 0.000 0.000 0.195 451 E C 1.846 178.491 176.600 0.074 0.000 0.992 451 E CA 1.402 57.840 56.400 0.063 0.000 0.804 451 E CB -0.105 29.624 29.700 0.049 0.000 0.741 451 E HN 0.441 nan 8.360 nan 0.000 0.458 452 K N 0.261 120.705 120.400 0.074 0.000 2.097 452 K HA -0.012 4.308 4.320 0.000 0.000 0.205 452 K C 2.300 178.989 176.600 0.148 0.000 1.050 452 K CA 0.705 57.040 56.287 0.080 0.000 0.938 452 K CB -0.096 32.428 32.500 0.041 0.000 0.718 452 K HN 0.088 nan 8.250 nan 0.000 0.442 453 I N 1.469 122.140 120.570 0.168 0.000 2.226 453 I HA -0.281 3.889 4.170 0.000 0.000 0.245 453 I C 1.538 177.780 176.117 0.209 0.000 1.100 453 I CA 1.182 62.638 61.300 0.260 0.000 1.374 453 I CB -0.223 37.898 38.000 0.202 0.000 1.057 453 I HN 0.141 nan 8.210 nan 0.000 0.413 454 D N 0.492 120.972 120.400 0.133 0.000 2.144 454 D HA -0.118 4.522 4.640 0.000 0.000 0.200 454 D C 2.331 178.687 176.300 0.093 0.000 0.978 454 D CA 0.852 54.905 54.000 0.089 0.000 0.833 454 D CB -0.190 40.651 40.800 0.068 0.000 0.961 454 D HN 0.161 nan 8.370 nan 0.000 0.470 455 R N -0.070 120.500 120.500 0.118 0.000 2.075 455 R HA -0.111 4.229 4.340 0.000 0.000 0.232 455 R C 2.113 178.523 176.300 0.183 0.000 1.126 455 R CA 0.463 56.631 56.100 0.114 0.000 0.963 455 R CB -1.044 29.313 30.300 0.096 0.000 0.858 455 R HN 0.342 nan 8.270 nan 0.000 0.435 456 W N 1.890 123.192 121.300 0.002 0.000 2.338 456 W HA -0.109 4.551 4.660 0.000 0.000 0.304 456 W C 2.125 178.636 176.519 -0.013 0.000 1.212 456 W CA 1.483 58.829 57.345 0.002 0.000 1.264 456 W CB -0.706 28.762 29.460 0.014 0.000 1.142 456 W HN 0.141 nan 8.180 nan 0.000 0.512 457 A N 0.194 123.021 122.820 0.013 0.000 1.908 457 A HA -0.249 4.071 4.320 0.000 0.000 0.218 457 A C 1.868 179.370 177.584 -0.138 0.000 1.181 457 A CA 2.096 54.023 52.037 -0.184 0.000 0.627 457 A CB -0.837 18.081 19.000 -0.137 0.000 0.818 457 A HN 0.459 nan 8.150 nan 0.000 0.445 458 E N -0.413 119.763 120.200 -0.039 0.000 2.072 458 E HA -0.102 4.248 4.350 0.000 0.000 0.191 458 E C 1.849 178.434 176.600 -0.024 0.000 0.985 458 E CA 1.150 57.528 56.400 -0.036 0.000 0.801 458 E CB -0.243 29.459 29.700 0.004 0.000 0.750 458 E HN 0.703 nan 8.360 nan 0.000 0.452 459 I N 0.747 121.340 120.570 0.038 0.000 2.226 459 I HA -0.271 3.900 4.170 0.000 0.000 0.245 459 I C 2.175 178.305 176.117 0.021 0.000 1.100 459 I CA 0.948 62.287 61.300 0.065 0.000 1.374 459 I CB -0.135 37.958 38.000 0.154 0.000 1.057 459 I HN 0.122 nan 8.210 nan 0.000 0.413 460 L N 0.393 121.600 121.223 -0.027 0.000 2.083 460 L HA -0.183 4.157 4.340 0.000 0.000 0.209 460 L C 2.815 179.578 176.870 -0.179 0.000 1.083 460 L CA 1.185 55.964 54.840 -0.102 0.000 0.752 460 L CB -0.650 41.260 42.059 -0.248 0.000 0.899 460 L HN 0.237 nan 8.230 nan 0.000 0.433 461 A N 0.252 122.935 122.820 -0.227 0.000 1.933 461 A HA -0.173 4.147 4.320 0.000 0.000 0.218 461 A C 2.206 179.670 177.584 -0.200 0.000 1.175 461 A CA 1.459 53.327 52.037 -0.281 0.000 0.628 461 A CB -0.590 18.252 19.000 -0.263 0.000 0.814 461 A HN 0.356 nan 8.150 nan 0.000 0.444 462 I N -0.904 119.598 120.570 -0.113 0.000 2.252 462 I HA -0.206 3.964 4.170 0.000 0.000 0.245 462 I C 2.401 178.453 176.117 -0.110 0.000 1.102 462 I CA 1.085 62.345 61.300 -0.067 0.000 1.385 462 I CB -0.229 37.768 38.000 -0.004 0.000 1.064 462 I HN 0.391 nan 8.210 nan 0.000 0.414 463 L N 1.194 122.367 121.223 -0.082 0.000 2.083 463 L HA -0.129 4.211 4.340 0.000 0.000 0.209 463 L C 2.524 179.337 176.870 -0.095 0.000 1.083 463 L CA 2.056 56.852 54.840 -0.072 0.000 0.752 463 L CB -0.768 41.289 42.059 -0.003 0.000 0.899 463 L HN 0.175 nan 8.230 nan 0.000 0.433 464 A N -0.429 122.331 122.820 -0.100 0.000 1.877 464 A HA -0.161 4.159 4.320 0.000 0.000 0.216 464 A C 2.257 179.770 177.584 -0.117 0.000 1.186 464 A CA 1.980 53.972 52.037 -0.075 0.000 0.620 464 A CB -0.907 18.006 19.000 -0.146 0.000 0.822 464 A HN 0.492 nan 8.150 nan 0.000 0.443 465 L N -0.857 120.258 121.223 -0.179 0.000 2.046 465 L HA -0.249 4.091 4.340 0.000 0.000 0.208 465 L C 2.754 179.434 176.870 -0.317 0.000 1.077 465 L CA 1.251 56.004 54.840 -0.144 0.000 0.747 465 L CB -0.743 41.297 42.059 -0.031 0.000 0.896 465 L HN 0.495 nan 8.230 nan 0.000 0.432 466 C N -0.174 118.795 119.300 -0.551 0.000 2.432 466 C HA -0.147 4.313 4.460 0.000 0.000 0.277 466 C C 2.767 177.546 174.990 -0.351 0.000 1.249 466 C CA 0.505 59.048 59.018 -0.791 0.000 1.725 466 C CB -0.740 26.660 27.740 -0.566 0.000 2.028 466 C HN 0.428 nan 8.230 nan 0.000 0.477 467 L N 0.856 121.970 121.223 -0.182 0.000 2.083 467 L HA -0.150 4.190 4.340 0.000 0.000 0.209 467 L C 2.841 179.692 176.870 -0.032 0.000 1.083 467 L CA 1.454 56.251 54.840 -0.071 0.000 0.752 467 L CB -0.667 41.385 42.059 -0.011 0.000 0.899 467 L HN 0.356 nan 8.230 nan 0.000 0.433 468 A N -0.328 122.477 122.820 -0.024 0.000 1.877 468 A HA -0.299 4.021 4.320 0.000 0.000 0.216 468 A C 2.208 179.815 177.584 0.038 0.000 1.186 468 A CA 1.988 54.043 52.037 0.030 0.000 0.620 468 A CB -0.537 18.498 19.000 0.059 0.000 0.822 468 A HN 0.426 nan 8.150 nan 0.000 0.443 469 Q N -0.391 119.428 119.800 0.032 0.000 2.046 469 Q HA -0.020 4.320 4.340 0.000 0.000 0.200 469 Q C 2.065 178.090 176.000 0.041 0.000 0.975 469 Q CA 2.066 57.921 55.803 0.088 0.000 0.836 469 Q CB -0.492 28.377 28.738 0.218 0.000 0.896 469 Q HN 0.554 nan 8.270 nan 0.000 0.428 470 A N 0.358 123.172 122.820 -0.010 0.000 1.933 470 A HA -0.076 4.244 4.320 0.000 0.000 0.218 470 A C 2.287 179.874 177.584 0.005 0.000 1.175 470 A CA 1.709 53.741 52.037 -0.009 0.000 0.628 470 A CB -1.148 17.831 19.000 -0.034 0.000 0.814 470 A HN 0.548 nan 8.150 nan 0.000 0.444 471 A N -0.121 122.706 122.820 0.011 0.000 1.902 471 A HA -0.179 4.141 4.320 0.000 0.000 0.217 471 A C 1.924 179.521 177.584 0.022 0.000 1.181 471 A CA 1.686 53.735 52.037 0.020 0.000 0.623 471 A CB -0.489 18.528 19.000 0.028 0.000 0.818 471 A HN 0.645 nan 8.150 nan 0.000 0.443 472 E N -0.308 119.909 120.200 0.029 0.000 2.107 472 E HA -0.067 4.283 4.350 0.000 0.000 0.191 472 E C 1.931 178.544 176.600 0.021 0.000 0.982 472 E CA 0.874 57.292 56.400 0.029 0.000 0.809 472 E CB -0.234 29.491 29.700 0.041 0.000 0.756 472 E HN 0.607 nan 8.360 nan 0.000 0.459 473 L N 0.466 121.700 121.223 0.018 0.000 2.056 473 L HA -0.160 4.180 4.340 0.000 0.000 0.207 473 L C 2.639 179.509 176.870 0.001 0.000 1.078 473 L CA 0.987 55.829 54.840 0.004 0.000 0.749 473 L CB -0.160 41.898 42.059 -0.002 0.000 0.901 473 L HN 0.012 nan 8.230 nan 0.000 0.433 474 R N -0.385 120.117 120.500 0.003 0.000 2.075 474 R HA -0.048 4.292 4.340 0.000 0.000 0.226 474 R C 1.791 178.094 176.300 0.005 0.000 1.114 474 R CA 1.631 57.732 56.100 0.002 0.000 0.972 474 R CB -0.381 29.921 30.300 0.003 0.000 0.869 474 R HN 0.351 nan 8.270 nan 0.000 0.437 475 C N 0.076 119.381 119.300 0.009 0.000 3.183 475 C HA 0.643 5.103 4.460 0.000 0.000 0.285 475 C C 0.584 175.581 174.990 0.012 0.000 1.313 475 C CA -0.274 58.751 59.018 0.011 0.000 1.711 475 C CB -0.708 27.041 27.740 0.013 0.000 2.135 475 C HN 0.739 nan 8.230 nan 0.000 0.651 476 G N 1.654 110.461 108.800 0.013 0.000 2.730 476 G HA2 -0.140 3.820 3.960 0.000 0.000 0.686 476 G HA3 -0.140 3.820 3.960 0.000 0.000 0.686 476 G C 0.689 175.600 174.900 0.018 0.000 1.343 476 G CA 0.062 45.170 45.100 0.014 0.000 0.826 476 G HN 0.768 nan 8.290 nan 0.000 0.582 477 S N -0.503 115.208 115.700 0.019 0.000 2.440 477 S HA 0.020 4.490 4.470 0.000 0.000 0.238 477 S C 2.392 177.005 174.600 0.022 0.000 1.010 477 S CA 1.940 60.154 58.200 0.023 0.000 0.972 477 S CB -0.210 63.003 63.200 0.022 0.000 0.774 477 S HN 2.184 nan 8.310 nan 0.000 0.501 478 G N 0.802 109.613 108.800 0.018 0.000 2.813 478 G HA2 0.338 4.298 3.960 0.000 0.000 0.209 478 G HA3 0.338 4.298 3.960 0.000 0.000 0.209 478 G C 0.570 175.480 174.900 0.018 0.000 1.150 478 G CA -0.020 45.090 45.100 0.017 0.000 0.785 478 G HN 0.614 nan 8.290 nan 0.000 0.535 479 L N 0.901 122.136 121.223 0.019 0.000 3.660 479 L HA -0.145 4.195 4.340 0.000 0.000 0.440 479 L C -0.864 176.016 176.870 0.016 0.000 1.262 479 L CA -0.103 54.749 54.840 0.020 0.000 0.837 479 L CB -1.718 40.355 42.059 0.024 0.000 1.689 479 L HN 0.213 nan 8.230 nan 0.000 0.890 480 D N 1.434 121.843 120.400 0.014 0.000 2.434 480 D HA 0.279 4.919 4.640 0.000 0.000 0.252 480 D C 1.381 177.687 176.300 0.010 0.000 1.185 480 D CA 1.403 55.410 54.000 0.011 0.000 0.886 480 D CB 1.220 42.026 40.800 0.010 0.000 1.148 480 D HN 0.544 nan 8.370 nan 0.000 0.483 481 G N 1.433 110.238 108.800 0.010 0.000 2.217 481 G HA2 -0.279 3.681 3.960 0.000 0.000 0.246 481 G HA3 -0.279 3.681 3.960 0.000 0.000 0.246 481 G C 0.463 175.369 174.900 0.010 0.000 0.990 481 G CA 0.073 45.178 45.100 0.008 0.000 0.627 481 G HN 0.521 nan 8.290 nan 0.000 0.522 482 V N 2.574 122.496 119.914 0.014 0.000 2.715 482 V HA 0.492 4.612 4.120 0.000 0.000 0.299 482 V C 1.501 177.606 176.094 0.017 0.000 1.054 482 V CA 0.205 62.515 62.300 0.018 0.000 1.077 482 V CB 1.411 33.248 31.823 0.022 0.000 0.972 482 V HN 1.063 nan 8.190 nan 0.000 0.484 483 S N 4.857 120.569 115.700 0.021 0.000 2.576 483 S HA 0.135 4.605 4.470 0.000 0.000 0.272 483 S C -1.736 172.873 174.600 0.016 0.000 1.352 483 S CA -0.651 57.560 58.200 0.019 0.000 1.021 483 S CB 0.486 63.702 63.200 0.027 0.000 0.887 483 S HN 0.580 nan 8.310 nan 0.000 0.542 484 P HA -0.039 nan 4.420 nan 0.000 0.215 484 P C 1.611 178.914 177.300 0.005 0.000 1.153 484 P CA 1.872 64.977 63.100 0.008 0.000 0.853 484 P CB -0.235 31.468 31.700 0.005 0.000 0.788 485 A N -0.214 122.607 122.820 0.001 0.000 1.902 485 A HA -0.069 4.251 4.320 0.000 0.000 0.217 485 A C 2.486 180.067 177.584 -0.005 0.000 1.181 485 A CA 2.060 54.090 52.037 -0.011 0.000 0.623 485 A CB -1.871 17.118 19.000 -0.019 0.000 0.818 485 A HN 0.272 nan 8.150 nan 0.000 0.443 486 G N -0.401 108.405 108.800 0.011 0.000 2.402 486 G HA2 -0.205 3.755 3.960 0.000 0.000 0.216 486 G HA3 -0.205 3.755 3.960 0.000 0.000 0.216 486 G C 1.676 176.593 174.900 0.028 0.000 1.162 486 G CA 1.062 46.176 45.100 0.023 0.000 0.777 486 G HN 0.567 nan 8.290 nan 0.000 0.539 487 K N 0.214 120.628 120.400 0.024 0.000 2.026 487 K HA -0.063 4.257 4.320 0.000 0.000 0.208 487 K C 2.434 179.052 176.600 0.030 0.000 1.048 487 K CA 1.320 57.623 56.287 0.027 0.000 0.929 487 K CB -0.143 32.370 32.500 0.021 0.000 0.713 487 K HN 0.247 nan 8.250 nan 0.000 0.439 488 K N 1.375 121.787 120.400 0.021 0.000 2.097 488 K HA -0.130 4.190 4.320 0.000 0.000 0.206 488 K C 2.154 178.776 176.600 0.036 0.000 1.049 488 K CA 0.928 57.228 56.287 0.022 0.000 0.933 488 K CB -0.061 32.444 32.500 0.007 0.000 0.717 488 K HN 0.102 nan 8.250 nan 0.000 0.442 489 L N 0.572 121.814 121.223 0.032 0.000 2.027 489 L HA -0.158 4.182 4.340 0.000 0.000 0.206 489 L C 2.044 178.980 176.870 0.110 0.000 1.074 489 L CA 1.046 55.924 54.840 0.062 0.000 0.745 489 L CB -0.120 41.959 42.059 0.034 0.000 0.898 489 L HN 0.004 nan 8.230 nan 0.000 0.433 490 V N -0.116 119.850 119.914 0.086 0.000 2.343 490 V HA -0.305 3.815 4.120 0.000 0.000 0.247 490 V C 2.461 178.609 176.094 0.090 0.000 1.051 490 V CA 1.978 64.333 62.300 0.091 0.000 1.036 490 V CB -0.666 31.198 31.823 0.068 0.000 0.654 490 V HN 0.539 nan 8.190 nan 0.000 0.451 491 Q N -0.044 119.798 119.800 0.070 0.000 2.096 491 Q HA -0.194 4.146 4.340 0.000 0.000 0.204 491 Q C 2.435 178.476 176.000 0.070 0.000 0.982 491 Q CA 1.890 57.729 55.803 0.060 0.000 0.850 491 Q CB -0.454 28.310 28.738 0.043 0.000 0.901 491 Q HN 0.677 nan 8.270 nan 0.000 0.422 492 A N 0.783 123.653 122.820 0.084 0.000 1.902 492 A HA -0.158 4.162 4.320 0.000 0.000 0.217 492 A C 2.068 179.724 177.584 0.121 0.000 1.181 492 A CA 1.070 53.163 52.037 0.094 0.000 0.623 492 A CB -0.667 18.404 19.000 0.118 0.000 0.818 492 A HN 0.289 nan 8.150 nan 0.000 0.443 493 L N -1.053 120.272 121.223 0.170 0.000 2.017 493 L HA -0.164 4.176 4.340 0.000 0.000 0.208 493 L C 2.693 179.708 176.870 0.241 0.000 1.073 493 L CA 1.064 56.050 54.840 0.244 0.000 0.745 493 L CB -0.438 41.745 42.059 0.207 0.000 0.894 493 L HN 0.283 nan 8.230 nan 0.000 0.432 494 R N 0.329 120.920 120.500 0.151 0.000 2.293 494 R HA -0.138 4.202 4.340 0.000 0.000 0.219 494 R C 1.849 178.178 176.300 0.048 0.000 1.091 494 R CA 0.762 56.928 56.100 0.110 0.000 1.004 494 R CB -0.354 29.995 30.300 0.083 0.000 0.865 494 R HN 0.548 nan 8.270 nan 0.000 0.469 495 E N -0.038 120.178 120.200 0.027 0.000 2.204 495 E HA -0.143 4.207 4.350 0.000 0.000 0.194 495 E C 1.452 177.989 176.600 -0.106 0.000 0.989 495 E CA 0.781 57.165 56.400 -0.027 0.000 0.824 495 E CB 0.258 29.945 29.700 -0.022 0.000 0.756 495 E HN 0.204 nan 8.360 nan 0.000 0.477 496 Q N -1.244 118.446 119.800 -0.184 0.000 2.288 496 Q HA 0.145 4.485 4.340 0.000 0.000 0.256 496 Q C -0.418 175.141 176.000 -0.736 0.000 0.835 496 Q CA 0.298 55.805 55.803 -0.494 0.000 0.958 496 Q CB 0.908 29.215 28.738 -0.719 0.000 1.125 496 Q HN 0.114 nan 8.270 nan 0.000 0.513 497 F N 2.061 122.005 119.950 -0.010 0.000 2.434 497 F HA 0.429 4.956 4.527 0.000 0.000 0.355 497 F C -2.125 173.690 175.800 0.025 0.000 1.115 497 F CA -2.553 55.452 58.000 0.008 0.000 1.010 497 F CB 1.384 40.394 39.000 0.015 0.000 1.234 497 F HN -0.198 nan 8.300 nan 0.000 0.439 498 P HA 0.133 nan 4.420 nan 0.000 0.272 498 P C -2.348 175.025 177.300 0.122 0.000 1.230 498 P CA -0.952 62.204 63.100 0.093 0.000 0.788 498 P CB 0.002 31.730 31.700 0.047 0.000 0.949 499 P HA 0.032 nan 4.420 nan 0.000 0.270 499 P C -0.680 176.672 177.300 0.087 0.000 1.223 499 P CA -0.062 63.104 63.100 0.109 0.000 0.785 499 P CB 0.464 32.212 31.700 0.080 0.000 0.923 500 L N 2.158 123.438 121.223 0.095 0.000 2.358 500 L HA 0.159 4.499 4.340 0.000 0.000 0.274 500 L C 1.308 178.188 176.870 0.016 0.000 1.136 500 L CA 0.399 55.244 54.840 0.008 0.000 0.970 500 L CB -0.646 41.339 42.059 -0.123 0.000 1.314 500 L HN 0.313 nan 8.230 nan 0.000 0.427 501 E N 1.073 121.283 120.200 0.016 0.000 2.216 501 E HA 0.007 4.357 4.350 0.000 0.000 0.192 501 E C 0.216 176.828 176.600 0.020 0.000 0.988 501 E CA 0.605 57.018 56.400 0.021 0.000 0.834 501 E CB 0.388 30.100 29.700 0.020 0.000 0.772 501 E HN 0.592 nan 8.360 nan 0.000 0.479 502 T N 0.045 114.601 114.554 0.003 0.000 2.889 502 T HA 0.119 4.469 4.350 0.000 0.000 0.315 502 T C -1.755 172.926 174.700 -0.031 0.000 1.291 502 T CA -1.007 61.095 62.100 0.002 0.000 1.028 502 T CB 1.375 70.245 68.868 0.004 0.000 1.235 502 T HN -0.228 nan 8.240 nan 0.000 0.491 503 D N 2.643 123.021 120.400 -0.037 0.000 2.525 503 D HA 0.334 4.974 4.640 0.000 0.000 0.235 503 D C 0.596 176.856 176.300 -0.067 0.000 1.137 503 D CA 0.682 54.638 54.000 -0.073 0.000 0.868 503 D CB 0.373 41.135 40.800 -0.063 0.000 1.180 503 D HN 0.685 nan 8.370 nan 0.000 0.465 504 R N 0.357 120.804 120.500 -0.088 0.000 2.692 504 R HA 0.611 4.951 4.340 0.000 0.000 0.269 504 R C -3.139 173.123 176.300 -0.063 0.000 1.030 504 R CA -1.683 54.380 56.100 -0.061 0.000 0.882 504 R CB 0.304 30.578 30.300 -0.044 0.000 1.250 504 R HN 0.007 nan 8.270 nan 0.000 0.465 505 P HA 0.139 nan 4.420 nan 0.000 0.267 505 P C -0.303 176.988 177.300 -0.015 0.000 1.209 505 P CA -0.219 62.865 63.100 -0.026 0.000 0.763 505 P CB 0.591 32.282 31.700 -0.014 0.000 0.816 506 L N 1.724 122.939 121.223 -0.013 0.000 2.731 506 L HA 0.176 4.516 4.340 0.000 0.000 0.240 506 L C 2.308 179.197 176.870 0.031 0.000 1.120 506 L CA 0.374 55.222 54.840 0.014 0.000 0.913 506 L CB -0.308 41.756 42.059 0.009 0.000 1.213 506 L HN 0.526 nan 8.230 nan 0.000 0.515 507 G N 0.286 109.098 108.800 0.019 0.000 2.529 507 G HA2 -0.305 3.655 3.960 0.000 0.000 0.219 507 G HA3 -0.305 3.655 3.960 0.000 0.000 0.219 507 G C 1.404 176.323 174.900 0.030 0.000 1.177 507 G CA 0.767 45.880 45.100 0.021 0.000 0.773 507 G HN 0.393 nan 8.290 nan 0.000 0.573 508 Q N -0.115 119.708 119.800 0.038 0.000 2.119 508 Q HA -0.063 4.277 4.340 0.000 0.000 0.201 508 Q C 2.497 178.553 176.000 0.093 0.000 0.972 508 Q CA 1.244 57.078 55.803 0.051 0.000 0.847 508 Q CB -0.109 28.655 28.738 0.043 0.000 0.903 508 Q HN 0.620 nan 8.270 nan 0.000 0.433 509 E N 0.637 120.913 120.200 0.126 0.000 2.106 509 E HA -0.144 4.206 4.350 0.000 0.000 0.192 509 E C 1.953 178.591 176.600 0.062 0.000 0.984 509 E CA 0.757 57.302 56.400 0.242 0.000 0.806 509 E CB -0.018 29.849 29.700 0.278 0.000 0.750 509 E HN 0.334 nan 8.360 nan 0.000 0.458 510 I N 1.098 121.667 120.570 -0.001 0.000 2.179 510 I HA -0.276 3.894 4.170 0.000 0.000 0.242 510 I C 2.540 178.628 176.117 -0.050 0.000 1.088 510 I CA 0.996 62.257 61.300 -0.065 0.000 1.357 510 I CB -0.301 37.685 38.000 -0.024 0.000 1.051 510 I HN 0.087 nan 8.210 nan 0.000 0.409 511 A N 0.749 123.570 122.820 0.001 0.000 1.877 511 A HA -0.181 4.140 4.320 0.000 0.000 0.216 511 A C 2.548 180.147 177.584 0.024 0.000 1.186 511 A CA 1.953 53.996 52.037 0.009 0.000 0.620 511 A CB -0.911 18.103 19.000 0.022 0.000 0.822 511 A HN 0.432 nan 8.150 nan 0.000 0.443 512 A N -0.607 122.259 122.820 0.076 0.000 1.877 512 A HA -0.048 4.272 4.320 0.000 0.000 0.216 512 A C 2.141 179.808 177.584 0.139 0.000 1.186 512 A CA 1.793 53.910 52.037 0.133 0.000 0.620 512 A CB -0.661 18.476 19.000 0.227 0.000 0.822 512 A HN 0.666 nan 8.150 nan 0.000 0.443 513 L N -0.212 121.044 121.223 0.056 0.000 2.046 513 L HA -0.045 4.295 4.340 0.000 0.000 0.208 513 L C 2.694 179.477 176.870 -0.145 0.000 1.077 513 L CA 2.087 56.853 54.840 -0.122 0.000 0.747 513 L CB -0.913 40.807 42.059 -0.565 0.000 0.896 513 L HN 0.364 nan 8.230 nan 0.000 0.432 514 A N -1.548 121.185 122.820 -0.144 0.000 1.883 514 A HA -0.256 4.064 4.320 0.000 0.000 0.217 514 A C 2.284 179.806 177.584 -0.104 0.000 1.186 514 A CA 2.474 54.419 52.037 -0.153 0.000 0.624 514 A CB -1.295 17.648 19.000 -0.095 0.000 0.822 514 A HN 0.503 nan 8.150 nan 0.000 0.444 515 T N -1.458 113.079 114.554 -0.027 0.000 2.759 515 T HA -0.191 4.159 4.350 0.000 0.000 0.269 515 T C 1.855 176.561 174.700 0.010 0.000 1.042 515 T CA 1.997 64.101 62.100 0.006 0.000 1.140 515 T CB -0.400 68.491 68.868 0.039 0.000 0.864 515 T HN 0.808 nan 8.240 nan 0.000 0.455 516 H N 0.993 120.018 119.070 -0.074 0.000 2.357 516 H HA 0.124 4.680 4.556 0.000 0.000 0.301 516 H C 2.000 177.246 175.328 -0.137 0.000 1.082 516 H CA 1.174 57.181 56.048 -0.068 0.000 1.342 516 H CB -0.469 29.277 29.762 -0.026 0.000 1.389 516 H HN 0.249 nan 8.280 nan 0.000 0.511 517 L N -0.030 120.989 121.223 -0.341 0.000 2.127 517 L HA -0.166 4.174 4.340 0.000 0.000 0.211 517 L C 2.260 178.961 176.870 -0.281 0.000 1.089 517 L CA 0.936 55.429 54.840 -0.578 0.000 0.757 517 L CB -0.473 41.060 42.059 -0.877 0.000 0.899 517 L HN 0.331 nan 8.230 nan 0.000 0.434 518 L N -0.739 120.364 121.223 -0.201 0.000 2.291 518 L HA -0.156 4.184 4.340 0.000 0.000 0.214 518 L C 2.194 179.016 176.870 -0.079 0.000 1.120 518 L CA 1.001 55.790 54.840 -0.086 0.000 0.799 518 L CB -0.188 41.857 42.059 -0.024 0.000 0.925 518 L HN 0.393 nan 8.230 nan 0.000 0.446 519 Q N -1.567 118.095 119.800 -0.230 0.000 2.316 519 Q HA 0.200 4.540 4.340 0.000 0.000 0.235 519 Q C -0.044 175.507 176.000 -0.748 0.000 0.863 519 Q CA 0.063 55.688 55.803 -0.295 0.000 0.939 519 Q CB 1.032 29.721 28.738 -0.082 0.000 1.108 519 Q HN 0.438 nan 8.270 nan 0.000 0.522 520 Q N -0.008 119.331 119.800 -0.769 0.000 2.379 520 Q HA 0.487 4.827 4.340 0.000 0.000 0.278 520 Q C -1.260 174.635 176.000 -0.175 0.000 1.068 520 Q CA -0.442 55.003 55.803 -0.597 0.000 0.816 520 Q CB 2.675 31.183 28.738 -0.385 0.000 1.387 520 Q HN -0.071 nan 8.270 nan 0.000 0.413 521 S N 1.977 117.658 115.700 -0.032 0.000 2.690 521 S HA 0.551 5.021 4.470 0.000 0.000 0.291 521 S C -2.408 171.993 174.600 -0.333 0.000 1.138 521 S CA -1.185 56.932 58.200 -0.138 0.000 1.013 521 S CB 0.955 64.120 63.200 -0.059 0.000 1.053 521 S HN 0.427 nan 8.310 nan 0.000 0.539 522 P HA 0.244 nan 4.420 nan 0.000 0.273 522 P C -0.654 176.456 177.300 -0.317 0.000 1.428 522 P CA -0.111 62.608 63.100 -0.635 0.000 0.995 522 P CB -0.069 30.983 31.700 -1.081 0.000 1.286 523 V N 0.000 119.819 119.914 -0.159 0.000 2.409 523 V HA 0.000 4.120 4.120 0.000 0.000 0.244 523 V CA 0.000 62.241 62.300 -0.098 0.000 1.235 523 V CB 0.000 31.779 31.823 -0.073 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556