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 2o7e_1_A DATA FIRST_RESID 7 DATA SEQUENCE PKPAVELDRH IDLDQAHAVA SGGARIVLAP PARDRCRASE ARLGAVIREA DATA SEQUENCE RHVYGLTTGF GPLANRLISG ENVRTLQANL VHFLASGVGP VLDWTTARAM DATA SEQUENCE VLARLVSIAQ GASGASEGTI ARLIDLLNSE LAPAVPSRGT VGXXXDLTPL DATA SEQUENCE AHMVLCLQGR GDFLDRDGTR LDGAEGLRRG RLQPLDLSHR DALALVNGTS DATA SEQUENCE AMTGIALVNA HACRHLGNWA VALTALLAEC LRGRTEAWAA ALSDLRPHPG DATA SEQUENCE QKDAAARLRA RVDGSARVVR HVIAERRLDA GDIGTEPEAG QDAYSLRCAP DATA SEQUENCE QVLGAGFDTL AWHDRVLTIE LNAVTDNPVF PPDGSVPALH GGNFMGQHVA DATA SEQUENCE LTSDALATAV TVLAGLAERQ IARLTDERLN RGLPPFLHRG PAGLNSGFMG DATA SEQUENCE AQVTATALLA EMRATGPASI HSISTNAANQ DVVSLGTIAA RLCREKIDRW DATA SEQUENCE AEILAILALC LAQAAELRCG SGLDGVSPAG KKLVQALREQ FPPLETDRPL DATA SEQUENCE GQEIAALATH LLQQSPV 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 7 P HA 0.000 nan 4.420 nan 0.000 0.216 7 P C 0.000 177.310 177.300 0.016 0.000 1.155 7 P CA 0.000 63.108 63.100 0.014 0.000 0.800 7 P CB 0.000 31.707 31.700 0.012 0.000 0.726 8 K N 2.539 122.951 120.400 0.019 0.000 2.369 8 K HA -0.098 4.190 4.320 -0.052 0.000 0.245 8 K C -1.860 174.753 176.600 0.021 0.000 1.112 8 K CA -0.058 56.242 56.287 0.023 0.000 1.179 8 K CB -0.018 32.496 32.500 0.024 0.000 0.734 8 K HN 0.167 nan 8.250 nan 0.000 0.502 9 P HA 0.002 nan 4.420 nan 0.000 0.270 9 P C -1.372 175.938 177.300 0.017 0.000 1.221 9 P CA -0.067 63.046 63.100 0.021 0.000 0.788 9 P CB 0.847 32.562 31.700 0.026 0.000 0.904 10 A N 1.047 123.876 122.820 0.014 0.000 2.374 10 A HA 0.548 4.837 4.320 -0.052 0.000 0.305 10 A C -1.107 176.482 177.584 0.009 0.000 1.053 10 A CA -0.560 51.483 52.037 0.010 0.000 0.726 10 A CB 1.118 20.122 19.000 0.008 0.000 1.229 10 A HN 0.284 nan 8.150 nan 0.000 0.431 11 V N 2.327 122.244 119.914 0.004 0.000 2.370 11 V HA 0.333 4.422 4.120 -0.052 0.000 0.279 11 V C 0.274 176.367 176.094 -0.001 0.000 1.029 11 V CA -0.350 61.951 62.300 0.002 0.000 0.870 11 V CB 1.302 33.122 31.823 -0.005 0.000 0.984 11 V HN 0.951 nan 8.190 nan 0.000 0.451 12 E N 4.425 124.627 120.200 0.003 0.000 2.115 12 E HA 0.393 4.712 4.350 -0.052 0.000 0.282 12 E C -1.021 175.580 176.600 0.003 0.000 0.987 12 E CA -0.780 55.622 56.400 0.003 0.000 0.797 12 E CB 1.308 31.012 29.700 0.007 0.000 1.086 12 E HN 0.561 nan 8.360 nan 0.000 0.397 13 L N 5.299 126.520 121.223 -0.003 0.000 2.265 13 L HA 0.285 4.593 4.340 -0.052 0.000 0.288 13 L C -0.176 176.696 176.870 0.003 0.000 1.058 13 L CA 0.503 55.340 54.840 -0.005 0.000 0.809 13 L CB 1.251 43.302 42.059 -0.014 0.000 1.179 13 L HN 0.744 nan 8.230 nan 0.000 0.429 14 D N 2.789 123.196 120.400 0.011 0.000 3.074 14 D HA 0.195 4.804 4.640 -0.052 0.000 0.227 14 D C 1.326 177.638 176.300 0.021 0.000 1.553 14 D CA 0.735 54.745 54.000 0.017 0.000 1.347 14 D CB 0.713 41.527 40.800 0.023 0.000 1.021 14 D HN 0.571 nan 8.370 nan 0.000 0.260 15 R N -1.665 118.858 120.500 0.039 0.000 2.197 15 R HA 0.217 4.526 4.340 -0.052 0.000 0.188 15 R C 0.236 176.581 176.300 0.074 0.000 1.015 15 R CA -0.175 55.954 56.100 0.049 0.000 1.132 15 R CB 0.388 30.721 30.300 0.056 0.000 1.134 15 R HN 0.214 nan 8.270 nan 0.000 0.560 16 H N 0.230 119.296 119.070 -0.008 0.000 2.492 16 H HA 0.570 5.095 4.556 -0.053 0.000 0.345 16 H C -1.324 174.000 175.328 -0.007 0.000 1.136 16 H CA -0.614 55.429 56.048 -0.009 0.000 1.202 16 H CB 1.394 31.151 29.762 -0.009 0.000 1.524 16 H HN 0.036 nan 8.280 nan 0.000 0.506 17 I N 4.130 124.369 120.570 -0.553 0.000 2.656 17 I HA 0.246 4.385 4.170 -0.052 0.000 0.292 17 I C -1.238 174.601 176.117 -0.462 0.000 1.144 17 I CA -0.874 60.238 61.300 -0.313 0.000 1.038 17 I CB 1.610 39.507 38.000 -0.172 0.000 1.244 17 I HN 0.855 nan 8.210 nan 0.000 0.420 18 D N 6.000 126.297 120.400 -0.171 0.000 2.387 18 D HA 0.232 4.840 4.640 -0.052 0.000 0.251 18 D C 0.991 177.265 176.300 -0.043 0.000 1.141 18 D CA -0.570 53.390 54.000 -0.068 0.000 0.987 18 D CB 0.972 41.809 40.800 0.062 0.000 1.116 18 D HN 0.500 nan 8.370 nan 0.000 0.491 19 L N -0.386 120.836 121.223 -0.001 0.000 2.083 19 L HA -0.143 4.166 4.340 -0.052 0.000 0.209 19 L C 1.526 178.434 176.870 0.063 0.000 1.083 19 L CA 1.361 56.218 54.840 0.029 0.000 0.752 19 L CB -0.497 41.592 42.059 0.051 0.000 0.899 19 L HN 0.449 nan 8.230 nan 0.000 0.433 20 D N -0.133 120.305 120.400 0.063 0.000 2.117 20 D HA -0.172 4.436 4.640 -0.052 0.000 0.198 20 D C 2.334 178.676 176.300 0.071 0.000 0.982 20 D CA 1.107 55.158 54.000 0.086 0.000 0.828 20 D CB -0.124 40.719 40.800 0.071 0.000 0.967 20 D HN 0.416 nan 8.370 nan 0.000 0.464 21 Q N 0.466 120.289 119.800 0.038 0.000 2.084 21 Q HA -0.087 4.222 4.340 -0.052 0.000 0.202 21 Q C 2.246 178.247 176.000 0.003 0.000 0.978 21 Q CA 1.390 57.204 55.803 0.019 0.000 0.844 21 Q CB -0.123 28.616 28.738 0.001 0.000 0.898 21 Q HN 0.202 nan 8.270 nan 0.000 0.426 22 A N 1.000 123.816 122.820 -0.005 0.000 1.883 22 A HA -0.256 4.032 4.320 -0.052 0.000 0.217 22 A C 1.979 179.548 177.584 -0.026 0.000 1.186 22 A CA 1.718 53.740 52.037 -0.025 0.000 0.624 22 A CB -0.932 18.052 19.000 -0.027 0.000 0.822 22 A HN 0.455 nan 8.150 nan 0.000 0.444 23 H N -0.008 119.014 119.070 -0.081 0.000 2.423 23 H HA -0.003 4.523 4.556 -0.050 0.000 0.297 23 H C 2.253 177.503 175.328 -0.131 0.000 1.075 23 H CA 1.470 57.432 56.048 -0.143 0.000 1.342 23 H CB -0.164 29.430 29.762 -0.279 0.000 1.395 23 H HN 0.417 nan 8.280 nan 0.000 0.530 24 A N 0.367 123.199 122.820 0.020 0.000 1.902 24 A HA -0.107 4.182 4.320 -0.052 0.000 0.217 24 A C 2.837 180.394 177.584 -0.044 0.000 1.181 24 A CA 1.646 53.693 52.037 0.017 0.000 0.623 24 A CB -0.827 18.199 19.000 0.043 0.000 0.818 24 A HN 0.287 nan 8.150 nan 0.000 0.443 25 V N -0.315 119.560 119.914 -0.064 0.000 2.323 25 V HA -0.170 3.919 4.120 -0.052 0.000 0.244 25 V C 3.046 179.053 176.094 -0.145 0.000 1.041 25 V CA 1.750 64.003 62.300 -0.078 0.000 1.025 25 V CB -1.208 30.573 31.823 -0.070 0.000 0.656 25 V HN 0.600 nan 8.190 nan 0.000 0.451 26 A N 0.862 123.555 122.820 -0.212 0.000 1.940 26 A HA -0.196 4.093 4.320 -0.052 0.000 0.219 26 A C 2.376 179.748 177.584 -0.354 0.000 1.176 26 A CA 2.213 54.067 52.037 -0.305 0.000 0.631 26 A CB -0.656 18.159 19.000 -0.309 0.000 0.814 26 A HN 0.691 nan 8.150 nan 0.000 0.446 27 S N -1.913 113.605 115.700 -0.303 0.000 2.603 27 S HA 0.373 4.812 4.470 -0.052 0.000 0.220 27 S C 1.380 176.105 174.600 0.208 0.000 0.967 27 S CA 0.995 59.163 58.200 -0.053 0.000 0.920 27 S CB -0.365 62.732 63.200 -0.172 0.000 0.773 27 S HN 1.931 nan 8.310 nan 0.000 0.529 28 G N 0.493 109.346 108.800 0.088 0.000 2.148 28 G HA2 -0.221 3.708 3.960 -0.052 0.000 0.254 28 G HA3 -0.221 3.708 3.960 -0.052 0.000 0.254 28 G C 0.812 175.782 174.900 0.117 0.000 0.981 28 G CA 0.105 45.312 45.100 0.178 0.000 0.670 28 G HN 0.989 nan 8.290 nan 0.000 0.528 29 G N -0.636 108.209 108.800 0.075 0.000 2.650 29 G HA2 0.597 4.525 3.960 -0.052 0.000 0.214 29 G HA3 0.597 4.525 3.960 -0.052 0.000 0.214 29 G C 0.579 175.508 174.900 0.048 0.000 1.136 29 G CA 1.668 46.808 45.100 0.067 0.000 0.789 29 G HN 1.844 nan 8.290 nan 0.000 0.536 30 A N -0.457 122.382 122.820 0.032 0.000 2.574 30 A HA 0.777 5.066 4.320 -0.052 0.000 0.297 30 A C -0.396 177.194 177.584 0.011 0.000 1.062 30 A CA -0.856 51.194 52.037 0.021 0.000 0.686 30 A CB 1.456 20.466 19.000 0.017 0.000 1.285 30 A HN 0.192 nan 8.150 nan 0.000 0.403 31 R N 0.006 120.512 120.500 0.010 0.000 2.543 31 R HA 0.687 4.996 4.340 -0.052 0.000 0.268 31 R C -0.681 175.616 176.300 -0.005 0.000 1.067 31 R CA -0.391 55.711 56.100 0.004 0.000 1.142 31 R CB 1.302 31.606 30.300 0.007 0.000 1.110 31 R HN 0.681 nan 8.270 nan 0.000 0.549 32 I N 0.913 121.477 120.570 -0.011 0.000 2.509 32 I HA 0.432 4.571 4.170 -0.052 0.000 0.293 32 I C -1.416 174.695 176.117 -0.010 0.000 1.020 32 I CA -0.901 60.390 61.300 -0.014 0.000 1.088 32 I CB 1.919 39.904 38.000 -0.026 0.000 1.267 32 I HN 0.288 nan 8.210 nan 0.000 0.430 33 V N 7.989 127.898 119.914 -0.008 0.000 2.760 33 V HA 0.492 4.581 4.120 -0.052 0.000 0.309 33 V C -1.412 174.679 176.094 -0.005 0.000 1.077 33 V CA -0.696 61.601 62.300 -0.005 0.000 0.910 33 V CB 2.123 33.946 31.823 -0.001 0.000 1.008 33 V HN 0.644 nan 8.190 nan 0.000 0.424 34 L N 6.463 127.683 121.223 -0.004 0.000 2.281 34 L HA 0.765 5.073 4.340 -0.052 0.000 0.285 34 L C 0.743 177.613 176.870 0.000 0.000 1.074 34 L CA 0.608 55.447 54.840 -0.003 0.000 0.817 34 L CB 0.863 42.920 42.059 -0.003 0.000 1.168 34 L HN 0.918 nan 8.230 nan 0.000 0.434 35 A N 6.945 129.766 122.820 0.002 0.000 2.483 35 A HA 0.328 4.617 4.320 -0.052 0.000 0.238 35 A C -1.553 176.033 177.584 0.004 0.000 1.070 35 A CA -0.690 51.349 52.037 0.005 0.000 0.770 35 A CB -0.396 18.609 19.000 0.008 0.000 1.008 35 A HN 0.790 nan 8.150 nan 0.000 0.497 36 P HA -0.182 nan 4.420 nan 0.000 0.216 36 P C -1.287 176.016 177.300 0.005 0.000 1.157 36 P CA 2.150 65.252 63.100 0.004 0.000 0.880 36 P CB -0.711 30.991 31.700 0.004 0.000 0.791 37 P HA -0.130 nan 4.420 nan 0.000 0.218 37 P C 1.273 178.579 177.300 0.009 0.000 1.149 37 P CA 1.842 64.947 63.100 0.008 0.000 0.817 37 P CB -0.405 31.300 31.700 0.009 0.000 0.785 38 A N 0.653 123.479 122.820 0.009 0.000 1.898 38 A HA -0.151 4.138 4.320 -0.052 0.000 0.216 38 A C 2.569 180.158 177.584 0.008 0.000 1.181 38 A CA 1.300 53.342 52.037 0.009 0.000 0.620 38 A CB -1.280 17.725 19.000 0.007 0.000 0.819 38 A HN 0.030 nan 8.150 nan 0.000 0.442 39 R N -0.182 120.321 120.500 0.005 0.000 2.083 39 R HA -0.191 4.117 4.340 -0.052 0.000 0.237 39 R C 1.396 177.699 176.300 0.004 0.000 1.137 39 R CA 2.041 58.143 56.100 0.003 0.000 0.951 39 R CB -0.417 29.884 30.300 0.002 0.000 0.851 39 R HN 0.463 nan 8.270 nan 0.000 0.434 40 D N -0.009 120.394 120.400 0.005 0.000 2.117 40 D HA -0.142 4.467 4.640 -0.052 0.000 0.197 40 D C 2.065 178.370 176.300 0.008 0.000 0.987 40 D CA 1.079 55.082 54.000 0.005 0.000 0.829 40 D CB -0.194 40.609 40.800 0.005 0.000 0.961 40 D HN 0.299 nan 8.370 nan 0.000 0.460 41 R N 0.049 120.556 120.500 0.011 0.000 2.096 41 R HA -0.070 4.238 4.340 -0.052 0.000 0.235 41 R C 2.477 178.787 176.300 0.018 0.000 1.127 41 R CA 0.894 57.003 56.100 0.015 0.000 0.968 41 R CB -0.418 29.892 30.300 0.017 0.000 0.861 41 R HN 0.237 nan 8.270 nan 0.000 0.440 42 C N -0.143 119.166 119.300 0.015 0.000 2.466 42 C HA 0.008 4.437 4.460 -0.052 0.000 0.278 42 C C 2.553 177.548 174.990 0.009 0.000 1.288 42 C CA 0.377 59.405 59.018 0.016 0.000 1.722 42 C CB -0.730 27.018 27.740 0.012 0.000 2.017 42 C HN 0.457 nan 8.230 nan 0.000 0.488 43 R N 1.142 121.645 120.500 0.005 0.000 2.096 43 R HA -0.092 4.217 4.340 -0.052 0.000 0.235 43 R C 2.352 178.652 176.300 -0.001 0.000 1.127 43 R CA 1.549 57.649 56.100 -0.000 0.000 0.968 43 R CB -0.427 29.872 30.300 -0.001 0.000 0.861 43 R HN 0.551 nan 8.270 nan 0.000 0.440 44 A N 0.148 122.970 122.820 0.003 0.000 1.930 44 A HA -0.152 4.136 4.320 -0.052 0.000 0.217 44 A C 2.181 179.764 177.584 -0.002 0.000 1.175 44 A CA 1.694 53.733 52.037 0.003 0.000 0.627 44 A CB -0.474 18.532 19.000 0.009 0.000 0.815 44 A HN 0.275 nan 8.150 nan 0.000 0.443 45 S N -0.820 114.884 115.700 0.006 0.000 2.368 45 S HA -0.183 4.255 4.470 -0.052 0.000 0.224 45 S C 2.023 176.595 174.600 -0.047 0.000 1.029 45 S CA 1.501 59.703 58.200 0.003 0.000 0.988 45 S CB -0.337 62.891 63.200 0.047 0.000 0.838 45 S HN 0.668 nan 8.310 nan 0.000 0.462 46 E N 0.395 120.581 120.200 -0.024 0.000 2.097 46 E HA -0.185 4.133 4.350 -0.052 0.000 0.196 46 E C 2.007 178.592 176.600 -0.026 0.000 1.000 46 E CA 1.235 57.622 56.400 -0.022 0.000 0.804 46 E CB -0.352 29.343 29.700 -0.009 0.000 0.740 46 E HN 0.597 nan 8.360 nan 0.000 0.454 47 A N 0.975 123.779 122.820 -0.026 0.000 1.969 47 A HA -0.116 4.173 4.320 -0.052 0.000 0.218 47 A C 2.095 179.642 177.584 -0.062 0.000 1.169 47 A CA 1.023 53.045 52.037 -0.025 0.000 0.635 47 A CB -0.309 18.682 19.000 -0.015 0.000 0.810 47 A HN 0.165 nan 8.150 nan 0.000 0.445 48 R N -1.130 119.315 120.500 -0.092 0.000 2.092 48 R HA -0.068 4.241 4.340 -0.052 0.000 0.231 48 R C 2.033 178.168 176.300 -0.275 0.000 1.119 48 R CA 1.292 57.313 56.100 -0.133 0.000 0.970 48 R CB -0.543 29.700 30.300 -0.096 0.000 0.864 48 R HN 0.492 nan 8.270 nan 0.000 0.440 49 L N 0.611 121.604 121.223 -0.383 0.000 2.093 49 L HA 0.010 4.318 4.340 -0.052 0.000 0.208 49 L C 2.098 178.769 176.870 -0.331 0.000 1.085 49 L CA 1.973 56.494 54.840 -0.531 0.000 0.755 49 L CB -0.964 40.853 42.059 -0.404 0.000 0.904 49 L HN 0.143 nan 8.230 nan 0.000 0.435 50 G N -1.070 107.623 108.800 -0.178 0.000 2.422 50 G HA2 -0.221 3.707 3.960 -0.052 0.000 0.218 50 G HA3 -0.221 3.707 3.960 -0.052 0.000 0.218 50 G C 1.558 176.360 174.900 -0.163 0.000 1.146 50 G CA 0.736 45.735 45.100 -0.168 0.000 0.769 50 G HN 0.626 nan 8.290 nan 0.000 0.547 51 A N -0.015 122.731 122.820 -0.122 0.000 1.968 51 A HA 0.207 4.496 4.320 -0.052 0.000 0.217 51 A C 2.552 180.086 177.584 -0.083 0.000 1.169 51 A CA 1.441 53.429 52.037 -0.082 0.000 0.638 51 A CB -0.406 18.561 19.000 -0.055 0.000 0.812 51 A HN 0.216 nan 8.150 nan 0.000 0.446 52 V N 0.383 120.227 119.914 -0.116 0.000 2.343 52 V HA -0.259 3.830 4.120 -0.052 0.000 0.247 52 V C 2.406 178.462 176.094 -0.064 0.000 1.051 52 V CA 2.036 64.299 62.300 -0.062 0.000 1.036 52 V CB -0.587 31.198 31.823 -0.064 0.000 0.654 52 V HN 0.576 nan 8.190 nan 0.000 0.451 53 I N -0.474 120.009 120.570 -0.145 0.000 2.252 53 I HA -0.223 3.916 4.170 -0.052 0.000 0.245 53 I C 2.722 178.778 176.117 -0.101 0.000 1.102 53 I CA 1.590 62.801 61.300 -0.149 0.000 1.385 53 I CB -0.482 37.329 38.000 -0.315 0.000 1.064 53 I HN 0.218 nan 8.210 nan 0.000 0.414 54 R N 1.507 121.946 120.500 -0.102 0.000 2.091 54 R HA -0.198 4.110 4.340 -0.052 0.000 0.238 54 R C 1.735 178.014 176.300 -0.034 0.000 1.136 54 R CA 1.794 57.858 56.100 -0.059 0.000 0.959 54 R CB -0.078 30.192 30.300 -0.051 0.000 0.856 54 R HN 0.435 nan 8.270 nan 0.000 0.437 55 E N -0.396 119.788 120.200 -0.028 0.000 2.502 55 E HA 0.099 4.418 4.350 -0.052 0.000 0.194 55 E C 0.239 176.840 176.600 0.002 0.000 1.062 55 E CA 0.377 56.772 56.400 -0.008 0.000 0.867 55 E CB 0.425 30.125 29.700 0.001 0.000 0.888 55 E HN 0.457 nan 8.360 nan 0.000 0.510 56 A N 2.188 125.006 122.820 -0.003 0.000 2.739 56 A HA -0.220 4.069 4.320 -0.052 0.000 0.296 56 A C -0.022 177.586 177.584 0.039 0.000 1.488 56 A CA 0.475 52.516 52.037 0.008 0.000 0.746 56 A CB -1.250 17.749 19.000 -0.001 0.000 1.047 56 A HN 0.130 nan 8.150 nan 0.000 0.477 57 R N 0.226 120.763 120.500 0.061 0.000 2.594 57 R HA 0.152 4.461 4.340 -0.052 0.000 0.272 57 R C 0.552 176.954 176.300 0.170 0.000 1.074 57 R CA -0.152 56.013 56.100 0.108 0.000 1.105 57 R CB 0.167 30.538 30.300 0.118 0.000 1.008 57 R HN 0.736 nan 8.270 nan 0.000 0.472 58 H N 1.841 120.946 119.070 0.058 0.000 3.089 58 H HA 0.253 4.778 4.556 -0.052 0.000 0.262 58 H C -0.945 174.449 175.328 0.110 0.000 1.160 58 H CA -0.408 55.668 56.048 0.048 0.000 1.482 58 H CB 0.247 30.016 29.762 0.011 0.000 1.511 58 H HN 0.045 nan 8.280 nan 0.000 0.483 59 V N 6.316 126.423 119.914 0.322 0.000 2.686 59 V HA 0.007 4.096 4.120 -0.052 0.000 0.306 59 V C -0.731 175.584 176.094 0.368 0.000 1.065 59 V CA -1.007 61.506 62.300 0.355 0.000 0.894 59 V CB 1.361 33.385 31.823 0.334 0.000 1.004 59 V HN 0.662 nan 8.190 nan 0.000 0.424 60 Y N 3.633 124.172 120.300 0.398 0.000 2.810 60 Y HA 0.355 4.874 4.550 -0.052 0.000 0.332 60 Y C 1.382 177.382 175.900 0.167 0.000 1.243 60 Y CA 1.864 60.102 58.100 0.230 0.000 1.537 60 Y CB 0.566 39.214 38.460 0.314 0.000 1.265 60 Y HN 1.055 nan 8.280 nan 0.000 0.572 61 G N 4.004 112.479 108.800 -0.542 0.000 2.267 61 G HA2 -0.306 3.623 3.960 -0.052 0.000 0.257 61 G HA3 -0.306 3.623 3.960 -0.052 0.000 0.257 61 G C 0.668 175.504 174.900 -0.106 0.000 0.998 61 G CA 0.610 45.489 45.100 -0.368 0.000 0.620 61 G HN 0.668 nan 8.290 nan 0.000 0.529 62 L N 0.006 121.215 121.223 -0.023 0.000 2.577 62 L HA 0.286 4.594 4.340 -0.052 0.000 0.225 62 L C 2.225 179.086 176.870 -0.015 0.000 1.053 62 L CA 1.589 56.441 54.840 0.021 0.000 0.866 62 L CB 0.486 42.598 42.059 0.089 0.000 1.132 62 L HN 0.468 nan 8.230 nan 0.000 0.486 63 T N -4.041 110.506 114.554 -0.012 0.000 3.332 63 T HA 0.183 4.502 4.350 -0.052 0.000 0.304 63 T C 0.267 174.925 174.700 -0.069 0.000 0.971 63 T CA 0.103 62.188 62.100 -0.026 0.000 0.954 63 T CB 0.071 68.954 68.868 0.025 0.000 1.175 63 T HN 0.178 nan 8.240 nan 0.000 0.519 64 T N -1.896 112.568 114.554 -0.151 0.000 2.864 64 T HA 0.768 5.087 4.350 -0.052 0.000 0.299 64 T C 0.500 174.930 174.700 -0.450 0.000 1.166 64 T CA -0.304 61.680 62.100 -0.194 0.000 1.007 64 T CB 1.398 70.245 68.868 -0.036 0.000 1.219 64 T HN 0.306 nan 8.240 nan 0.000 0.506 65 G N -0.052 108.536 108.800 -0.354 0.000 2.588 65 G HA2 0.554 4.483 3.960 -0.052 0.000 0.278 65 G HA3 0.554 4.483 3.960 -0.052 0.000 0.278 65 G C -0.994 173.538 174.900 -0.612 0.000 1.307 65 G CA -0.784 44.039 45.100 -0.461 0.000 1.016 65 G HN 0.552 nan 8.290 nan 0.000 0.503 66 F N -0.607 119.322 119.950 -0.036 0.000 2.440 66 F HA 0.586 5.082 4.527 -0.052 0.000 0.328 66 F C 1.270 177.194 175.800 0.207 0.000 1.070 66 F CA 0.474 58.522 58.000 0.081 0.000 1.011 66 F CB 1.272 40.373 39.000 0.168 0.000 1.226 66 F HN 1.005 nan 8.300 nan 0.000 0.491 67 G N 1.903 111.042 108.800 0.565 0.000 2.634 67 G HA2 -0.298 3.631 3.960 -0.052 0.000 0.309 67 G HA3 -0.298 3.631 3.960 -0.052 0.000 0.309 67 G C -1.836 173.180 174.900 0.193 0.000 1.265 67 G CA -0.012 45.263 45.100 0.292 0.000 0.998 67 G HN 0.522 nan 8.290 nan 0.000 0.551 68 P HA 0.150 nan 4.420 nan 0.000 0.230 68 P C 1.700 179.036 177.300 0.060 0.000 1.158 68 P CA 0.731 63.874 63.100 0.072 0.000 0.769 68 P CB -0.077 31.649 31.700 0.044 0.000 0.807 69 L N -1.677 119.586 121.223 0.065 0.000 2.591 69 L HA 0.174 4.482 4.340 -0.052 0.000 0.228 69 L C 2.039 178.919 176.870 0.017 0.000 1.133 69 L CA 0.131 54.984 54.840 0.022 0.000 0.880 69 L CB -0.667 41.387 42.059 -0.009 0.000 1.033 69 L HN -0.047 nan 8.230 nan 0.000 0.450 70 A N 1.438 124.309 122.820 0.084 0.000 2.125 70 A HA -0.180 4.108 4.320 -0.052 0.000 0.219 70 A C 1.991 179.614 177.584 0.065 0.000 1.156 70 A CA 1.450 53.547 52.037 0.101 0.000 0.671 70 A CB -0.542 18.626 19.000 0.281 0.000 0.794 70 A HN 0.655 nan 8.150 nan 0.000 0.459 71 N N -0.460 118.265 118.700 0.041 0.000 2.550 71 N HA -0.061 4.648 4.740 -0.052 0.000 0.186 71 N C 0.032 175.532 175.510 -0.017 0.000 1.110 71 N CA 0.329 53.392 53.050 0.021 0.000 0.912 71 N CB -0.210 38.287 38.487 0.017 0.000 0.968 71 N HN 0.202 nan 8.380 nan 0.000 0.448 72 R N 1.025 121.506 120.500 -0.032 0.000 2.204 72 R HA 0.392 4.700 4.340 -0.052 0.000 0.341 72 R C -0.233 176.017 176.300 -0.082 0.000 1.035 72 R CA -0.292 55.774 56.100 -0.056 0.000 0.887 72 R CB 0.769 31.035 30.300 -0.058 0.000 1.114 72 R HN 0.149 nan 8.270 nan 0.000 0.473 73 L N 4.164 125.330 121.223 -0.094 0.000 2.397 73 L HA 0.353 4.661 4.340 -0.052 0.000 0.271 73 L C 0.100 176.910 176.870 -0.100 0.000 1.148 73 L CA -0.405 54.363 54.840 -0.120 0.000 0.825 73 L CB 0.560 42.523 42.059 -0.159 0.000 1.117 73 L HN 0.343 nan 8.230 nan 0.000 0.456 74 I N 1.546 122.054 120.570 -0.102 0.000 2.441 74 I HA 0.240 4.379 4.170 -0.052 0.000 0.295 74 I C 0.368 176.447 176.117 -0.063 0.000 0.994 74 I CA -0.234 61.016 61.300 -0.084 0.000 1.144 74 I CB 1.644 39.583 38.000 -0.102 0.000 1.314 74 I HN 0.518 nan 8.210 nan 0.000 0.445 75 S N 2.968 118.639 115.700 -0.048 0.000 2.584 75 S HA 0.386 4.825 4.470 -0.052 0.000 0.273 75 S C 1.462 176.045 174.600 -0.028 0.000 1.311 75 S CA 0.092 58.270 58.200 -0.036 0.000 1.034 75 S CB 1.276 64.459 63.200 -0.029 0.000 0.939 75 S HN 0.885 nan 8.310 nan 0.000 0.513 76 G N 2.894 111.680 108.800 -0.023 0.000 2.503 76 G HA2 -0.258 3.671 3.960 -0.052 0.000 0.221 76 G HA3 -0.258 3.671 3.960 -0.052 0.000 0.221 76 G C 1.234 176.129 174.900 -0.007 0.000 1.131 76 G CA 1.164 46.254 45.100 -0.017 0.000 0.756 76 G HN 0.895 nan 8.290 nan 0.000 0.572 77 E N 0.790 120.986 120.200 -0.007 0.000 2.472 77 E HA -0.063 4.255 4.350 -0.052 0.000 0.200 77 E C 0.981 177.582 176.600 0.001 0.000 1.046 77 E CA 0.627 57.026 56.400 -0.001 0.000 0.871 77 E CB -0.298 29.401 29.700 -0.002 0.000 0.806 77 E HN 0.408 nan 8.360 nan 0.000 0.533 78 N N 0.614 119.311 118.700 -0.004 0.000 2.203 78 N HA 0.066 4.775 4.740 -0.052 0.000 0.207 78 N C 1.446 176.958 175.510 0.003 0.000 1.130 78 N CA 0.104 53.153 53.050 -0.002 0.000 0.861 78 N CB 1.002 39.483 38.487 -0.010 0.000 1.005 78 N HN 0.012 nan 8.380 nan 0.000 0.507 79 V N 1.119 121.037 119.914 0.006 0.000 2.427 79 V HA -0.157 3.932 4.120 -0.052 0.000 0.248 79 V C 2.454 178.569 176.094 0.036 0.000 1.051 79 V CA 1.289 63.600 62.300 0.018 0.000 1.048 79 V CB -0.218 31.618 31.823 0.021 0.000 0.666 79 V HN 0.222 nan 8.190 nan 0.000 0.456 80 R N 0.323 120.842 120.500 0.031 0.000 2.080 80 R HA -0.148 4.161 4.340 -0.052 0.000 0.236 80 R C 2.403 178.713 176.300 0.015 0.000 1.137 80 R CA 2.136 58.251 56.100 0.025 0.000 0.943 80 R CB -1.332 28.978 30.300 0.017 0.000 0.846 80 R HN 0.525 nan 8.270 nan 0.000 0.431 81 T N 2.412 116.975 114.554 0.016 0.000 2.708 81 T HA -0.150 4.169 4.350 -0.052 0.000 0.266 81 T C 1.904 176.628 174.700 0.040 0.000 1.037 81 T CA 1.241 63.351 62.100 0.016 0.000 1.146 81 T CB -0.392 68.488 68.868 0.021 0.000 0.865 81 T HN 0.101 nan 8.240 nan 0.000 0.435 82 L N 1.396 122.655 121.223 0.060 0.000 1.997 82 L HA -0.208 4.100 4.340 -0.052 0.000 0.216 82 L C 2.411 179.412 176.870 0.219 0.000 1.074 82 L CA 1.892 56.807 54.840 0.125 0.000 0.763 82 L CB -0.700 41.393 42.059 0.056 0.000 0.890 82 L HN 0.291 nan 8.230 nan 0.000 0.434 83 Q N -1.032 118.855 119.800 0.145 0.000 2.230 83 Q HA -0.058 4.251 4.340 -0.052 0.000 0.202 83 Q C 2.198 178.176 176.000 -0.037 0.000 0.963 83 Q CA 1.108 56.973 55.803 0.103 0.000 0.866 83 Q CB -0.255 28.529 28.738 0.078 0.000 0.931 83 Q HN 0.713 nan 8.270 nan 0.000 0.452 84 A N 1.814 124.591 122.820 -0.071 0.000 1.898 84 A HA -0.175 4.114 4.320 -0.052 0.000 0.216 84 A C 1.785 179.153 177.584 -0.360 0.000 1.181 84 A CA 1.307 53.208 52.037 -0.227 0.000 0.620 84 A CB -0.310 18.576 19.000 -0.189 0.000 0.819 84 A HN 0.256 nan 8.150 nan 0.000 0.442 85 N N -0.077 118.551 118.700 -0.121 0.000 2.188 85 N HA -0.119 4.590 4.740 -0.052 0.000 0.184 85 N C 1.600 177.159 175.510 0.082 0.000 1.018 85 N CA 1.337 54.405 53.050 0.030 0.000 0.858 85 N CB -0.603 37.995 38.487 0.185 0.000 0.989 85 N HN 0.427 nan 8.380 nan 0.000 0.426 86 L N 1.136 122.355 121.223 -0.006 0.000 2.013 86 L HA -0.137 4.172 4.340 -0.052 0.000 0.212 86 L C 1.955 178.414 176.870 -0.686 0.000 1.073 86 L CA 1.520 56.104 54.840 -0.426 0.000 0.753 86 L CB -0.750 40.967 42.059 -0.570 0.000 0.890 86 L HN -0.084 nan 8.230 nan 0.000 0.432 87 V N -0.484 119.189 119.914 -0.402 0.000 2.407 87 V HA -0.322 3.766 4.120 -0.052 0.000 0.248 87 V C 2.378 178.343 176.094 -0.216 0.000 1.055 87 V CA 2.157 64.263 62.300 -0.324 0.000 1.049 87 V CB -0.927 30.764 31.823 -0.220 0.000 0.662 87 V HN 0.634 nan 8.190 nan 0.000 0.455 88 H N -0.453 118.484 119.070 -0.223 0.000 2.284 88 H HA -0.143 4.382 4.556 -0.052 0.000 0.304 88 H C 2.237 177.492 175.328 -0.122 0.000 1.069 88 H CA 1.796 57.763 56.048 -0.135 0.000 1.327 88 H CB -0.218 29.530 29.762 -0.023 0.000 1.387 88 H HN 0.600 nan 8.280 nan 0.000 0.498 89 F N 0.754 120.734 119.950 0.050 0.000 2.451 89 F HA -0.020 4.476 4.527 -0.052 0.000 0.299 89 F C 1.581 177.352 175.800 -0.049 0.000 1.101 89 F CA 0.710 58.707 58.000 -0.004 0.000 1.436 89 F CB -0.689 38.314 39.000 0.005 0.000 1.074 89 F HN 0.005 nan 8.300 nan 0.000 0.553 90 L N 0.596 121.440 121.223 -0.631 0.000 2.418 90 L HA 0.234 4.543 4.340 -0.052 0.000 0.218 90 L C 1.884 178.590 176.870 -0.274 0.000 1.125 90 L CA 0.401 54.961 54.840 -0.467 0.000 0.835 90 L CB -0.614 41.060 42.059 -0.642 0.000 0.953 90 L HN 0.266 nan 8.230 nan 0.000 0.454 91 A N 0.197 122.823 122.820 -0.322 0.000 3.029 91 A HA 0.146 4.435 4.320 -0.052 0.000 0.251 91 A C 1.177 178.689 177.584 -0.121 0.000 1.749 91 A CA 0.216 51.935 52.037 -0.530 0.000 1.386 91 A CB -0.671 17.955 19.000 -0.623 0.000 1.043 91 A HN 0.350 nan 8.150 nan 0.000 0.638 92 S N -0.512 115.225 115.700 0.062 0.000 2.561 92 S HA 0.402 4.841 4.470 -0.052 0.000 0.245 92 S C 0.810 175.514 174.600 0.172 0.000 1.001 92 S CA 0.036 58.309 58.200 0.123 0.000 1.002 92 S CB 0.087 63.335 63.200 0.080 0.000 0.805 92 S HN 0.725 nan 8.310 nan 0.000 0.458 93 G N 1.328 110.344 108.800 0.361 0.000 2.539 93 G HA2 0.546 4.475 3.960 -0.052 0.000 0.258 93 G HA3 0.546 4.475 3.960 -0.052 0.000 0.258 93 G C -0.201 174.673 174.900 -0.043 0.000 1.202 93 G CA -0.040 45.113 45.100 0.088 0.000 0.851 93 G HN 1.049 nan 8.290 nan 0.000 0.556 94 V N -1.491 118.388 119.914 -0.059 0.000 3.182 94 V HA 1.027 5.116 4.120 -0.052 0.000 0.308 94 V C 0.500 176.557 176.094 -0.062 0.000 1.240 94 V CA -0.111 62.155 62.300 -0.058 0.000 1.063 94 V CB 1.107 32.919 31.823 -0.020 0.000 1.076 94 V HN 2.565 nan 8.190 nan 0.000 0.446 95 G N 0.503 109.274 108.800 -0.048 0.000 2.707 95 G HA2 0.074 4.002 3.960 -0.052 0.000 0.686 95 G HA3 0.074 4.002 3.960 -0.052 0.000 0.686 95 G C -2.746 172.128 174.900 -0.044 0.000 1.315 95 G CA -0.309 44.769 45.100 -0.037 0.000 0.832 95 G HN 1.142 nan 8.290 nan 0.000 0.573 96 P HA 0.375 nan 4.420 nan 0.000 0.266 96 P C 0.873 178.155 177.300 -0.031 0.000 1.195 96 P CA 0.525 63.613 63.100 -0.021 0.000 0.768 96 P CB 0.737 32.434 31.700 -0.006 0.000 0.838 97 V N 1.933 121.828 119.914 -0.030 0.000 2.924 97 V HA 0.141 4.230 4.120 -0.052 0.000 0.305 97 V C 0.739 176.826 176.094 -0.011 0.000 1.073 97 V CA -0.652 61.626 62.300 -0.037 0.000 1.098 97 V CB -0.492 31.312 31.823 -0.032 0.000 1.000 97 V HN 0.302 nan 8.190 nan 0.000 0.484 98 L N 2.734 123.948 121.223 -0.016 0.000 2.483 98 L HA 0.246 4.555 4.340 -0.052 0.000 0.275 98 L C 0.593 177.482 176.870 0.032 0.000 1.220 98 L CA -0.216 54.627 54.840 0.004 0.000 0.833 98 L CB 0.146 42.198 42.059 -0.012 0.000 1.102 98 L HN 1.023 nan 8.230 nan 0.000 0.490 99 D N -0.097 120.338 120.400 0.058 0.000 2.362 99 D HA -0.093 4.516 4.640 -0.052 0.000 0.242 99 D C 0.708 177.095 176.300 0.145 0.000 1.132 99 D CA -0.481 53.586 54.000 0.111 0.000 0.907 99 D CB 0.539 41.411 40.800 0.119 0.000 1.195 99 D HN 0.553 nan 8.370 nan 0.000 0.429 100 W N 1.644 122.947 121.300 0.006 0.000 2.280 100 W HA -0.338 4.290 4.660 -0.054 0.000 0.332 100 W C 2.121 178.634 176.519 -0.010 0.000 1.300 100 W CA 3.026 60.374 57.345 0.005 0.000 1.274 100 W CB -0.816 28.650 29.460 0.009 0.000 1.141 100 W HN 0.463 nan 8.180 nan 0.000 0.474 101 T N -0.447 114.227 114.554 0.200 0.000 2.777 101 T HA -0.197 4.122 4.350 -0.052 0.000 0.266 101 T C 1.566 176.189 174.700 -0.129 0.000 1.040 101 T CA 2.266 64.342 62.100 -0.041 0.000 1.141 101 T CB -0.856 68.075 68.868 0.105 0.000 0.868 101 T HN 0.193 nan 8.240 nan 0.000 0.444 102 T N 2.006 116.542 114.554 -0.030 0.000 2.777 102 T HA 0.009 4.328 4.350 -0.052 0.000 0.266 102 T C 2.425 177.077 174.700 -0.079 0.000 1.040 102 T CA 1.110 63.191 62.100 -0.032 0.000 1.141 102 T CB -0.538 68.340 68.868 0.018 0.000 0.868 102 T HN 0.419 nan 8.240 nan 0.000 0.444 103 A N 1.772 124.534 122.820 -0.097 0.000 1.902 103 A HA -0.127 4.162 4.320 -0.052 0.000 0.217 103 A C 2.371 179.849 177.584 -0.175 0.000 1.181 103 A CA 1.468 53.435 52.037 -0.118 0.000 0.623 103 A CB -0.471 18.463 19.000 -0.109 0.000 0.818 103 A HN 0.414 nan 8.150 nan 0.000 0.443 104 R N -0.625 119.703 120.500 -0.287 0.000 2.115 104 R HA 0.031 4.339 4.340 -0.052 0.000 0.226 104 R C 2.382 178.551 176.300 -0.219 0.000 1.100 104 R CA 0.988 56.897 56.100 -0.319 0.000 0.980 104 R CB -0.392 29.576 30.300 -0.554 0.000 0.875 104 R HN 0.500 nan 8.270 nan 0.000 0.445 105 A N 1.090 123.798 122.820 -0.188 0.000 1.972 105 A HA -0.172 4.116 4.320 -0.052 0.000 0.219 105 A C 2.088 179.618 177.584 -0.089 0.000 1.169 105 A CA 1.227 53.187 52.037 -0.127 0.000 0.635 105 A CB -0.415 18.532 19.000 -0.089 0.000 0.810 105 A HN 0.328 nan 8.150 nan 0.000 0.446 106 M N -0.377 119.172 119.600 -0.085 0.000 2.156 106 M HA -0.091 4.358 4.480 -0.052 0.000 0.264 106 M C 1.823 178.085 176.300 -0.064 0.000 1.067 106 M CA 1.809 57.072 55.300 -0.062 0.000 1.131 106 M CB -0.180 32.387 32.600 -0.055 0.000 1.368 106 M HN 0.176 nan 8.290 nan 0.000 0.416 107 V N 1.213 121.077 119.914 -0.082 0.000 2.343 107 V HA -0.269 3.820 4.120 -0.052 0.000 0.247 107 V C 2.429 178.483 176.094 -0.067 0.000 1.051 107 V CA 1.655 63.912 62.300 -0.072 0.000 1.036 107 V CB -0.975 30.797 31.823 -0.086 0.000 0.654 107 V HN 0.576 nan 8.190 nan 0.000 0.451 108 L N 1.034 122.207 121.223 -0.082 0.000 2.017 108 L HA -0.059 4.250 4.340 -0.052 0.000 0.208 108 L C 2.473 179.308 176.870 -0.059 0.000 1.073 108 L CA 2.385 57.181 54.840 -0.074 0.000 0.745 108 L CB -1.065 40.940 42.059 -0.090 0.000 0.894 108 L HN 0.208 nan 8.230 nan 0.000 0.432 109 A N -0.377 122.409 122.820 -0.056 0.000 1.908 109 A HA -0.283 4.006 4.320 -0.052 0.000 0.218 109 A C 2.483 180.045 177.584 -0.036 0.000 1.181 109 A CA 1.978 53.988 52.037 -0.046 0.000 0.627 109 A CB -0.646 18.330 19.000 -0.040 0.000 0.818 109 A HN 0.501 nan 8.150 nan 0.000 0.445 110 R N -0.739 119.741 120.500 -0.032 0.000 2.092 110 R HA -0.066 4.243 4.340 -0.052 0.000 0.231 110 R C 1.943 178.232 176.300 -0.018 0.000 1.119 110 R CA 1.462 57.550 56.100 -0.021 0.000 0.970 110 R CB -0.608 29.679 30.300 -0.021 0.000 0.864 110 R HN 0.447 nan 8.270 nan 0.000 0.440 111 L N -0.087 121.121 121.223 -0.026 0.000 2.017 111 L HA -0.115 4.193 4.340 -0.052 0.000 0.208 111 L C 1.920 178.778 176.870 -0.020 0.000 1.073 111 L CA 1.715 56.542 54.840 -0.022 0.000 0.745 111 L CB -0.614 41.427 42.059 -0.029 0.000 0.894 111 L HN 0.067 nan 8.230 nan 0.000 0.432 112 V N -0.941 118.955 119.914 -0.030 0.000 2.392 112 V HA -0.279 3.809 4.120 -0.052 0.000 0.249 112 V C 2.783 178.864 176.094 -0.022 0.000 1.059 112 V CA 1.830 64.110 62.300 -0.033 0.000 1.051 112 V CB -0.902 30.890 31.823 -0.053 0.000 0.658 112 V HN 0.643 nan 8.190 nan 0.000 0.455 113 S N -0.508 115.181 115.700 -0.018 0.000 2.368 113 S HA -0.106 4.333 4.470 -0.052 0.000 0.224 113 S C 1.893 176.496 174.600 0.005 0.000 1.029 113 S CA 1.486 59.680 58.200 -0.009 0.000 0.988 113 S CB -0.299 62.897 63.200 -0.007 0.000 0.838 113 S HN 0.537 nan 8.310 nan 0.000 0.462 114 I N 1.535 122.111 120.570 0.010 0.000 2.315 114 I HA -0.103 4.036 4.170 -0.052 0.000 0.248 114 I C 2.670 178.799 176.117 0.021 0.000 1.117 114 I CA 0.978 62.292 61.300 0.023 0.000 1.404 114 I CB -0.459 37.553 38.000 0.020 0.000 1.071 114 I HN 0.348 nan 8.210 nan 0.000 0.419 115 A N 0.138 122.963 122.820 0.009 0.000 2.131 115 A HA -0.208 4.081 4.320 -0.052 0.000 0.220 115 A C 2.096 179.687 177.584 0.013 0.000 1.158 115 A CA 1.211 53.252 52.037 0.008 0.000 0.665 115 A CB -0.346 18.653 19.000 -0.002 0.000 0.795 115 A HN 0.406 nan 8.150 nan 0.000 0.460 116 Q N -1.195 118.614 119.800 0.014 0.000 2.369 116 Q HA 0.061 4.369 4.340 -0.052 0.000 0.206 116 Q C 1.264 177.280 176.000 0.027 0.000 0.963 116 Q CA 0.840 56.653 55.803 0.017 0.000 0.894 116 Q CB -0.567 28.178 28.738 0.012 0.000 0.965 116 Q HN 1.073 nan 8.270 nan 0.000 0.475 117 G N 0.391 109.213 108.800 0.035 0.000 2.212 117 G HA2 -0.195 3.734 3.960 -0.052 0.000 0.255 117 G HA3 -0.195 3.734 3.960 -0.052 0.000 0.255 117 G C 0.433 175.378 174.900 0.075 0.000 1.062 117 G CA 0.405 45.534 45.100 0.048 0.000 0.815 117 G HN 0.528 nan 8.290 nan 0.000 0.497 118 A N -1.075 121.801 122.820 0.093 0.000 2.635 118 A HA 0.740 5.028 4.320 -0.052 0.000 0.279 118 A C 1.593 179.308 177.584 0.219 0.000 1.122 118 A CA 1.371 53.489 52.037 0.136 0.000 0.965 118 A CB 0.288 19.323 19.000 0.058 0.000 1.221 118 A HN 0.746 nan 8.150 nan 0.000 0.566 119 S N -1.189 114.644 115.700 0.221 0.000 2.506 119 S HA 0.371 4.810 4.470 -0.052 0.000 0.219 119 S C 1.506 176.332 174.600 0.376 0.000 1.031 119 S CA 0.739 59.102 58.200 0.271 0.000 0.911 119 S CB 0.425 63.708 63.200 0.140 0.000 0.812 119 S HN 1.687 nan 8.310 nan 0.000 0.497 120 G N 1.869 110.798 108.800 0.215 0.000 2.143 120 G HA2 -0.202 3.727 3.960 -0.052 0.000 0.249 120 G HA3 -0.202 3.727 3.960 -0.052 0.000 0.249 120 G C 0.194 175.123 174.900 0.047 0.000 0.981 120 G CA 0.033 45.156 45.100 0.038 0.000 0.665 120 G HN 0.859 nan 8.290 nan 0.000 0.528 121 A N 0.270 123.130 122.820 0.068 0.000 2.445 121 A HA 0.661 4.950 4.320 -0.052 0.000 0.242 121 A C 1.125 178.715 177.584 0.011 0.000 1.075 121 A CA 0.954 53.015 52.037 0.041 0.000 0.777 121 A CB 0.272 19.294 19.000 0.038 0.000 1.013 121 A HN 1.966 nan 8.150 nan 0.000 0.493 122 S N 1.310 117.003 115.700 -0.012 0.000 2.632 122 S HA 0.229 4.668 4.470 -0.052 0.000 0.267 122 S C 0.712 175.298 174.600 -0.022 0.000 1.276 122 S CA -0.069 58.111 58.200 -0.033 0.000 0.998 122 S CB 0.855 64.011 63.200 -0.073 0.000 0.953 122 S HN 0.722 nan 8.310 nan 0.000 0.547 123 E N 1.495 121.681 120.200 -0.024 0.000 2.085 123 E HA -0.138 4.180 4.350 -0.052 0.000 0.194 123 E C 2.170 178.760 176.600 -0.017 0.000 0.994 123 E CA 1.266 57.656 56.400 -0.017 0.000 0.801 123 E CB -0.790 28.900 29.700 -0.017 0.000 0.743 123 E HN 0.898 nan 8.360 nan 0.000 0.453 124 G N 0.547 109.332 108.800 -0.024 0.000 2.446 124 G HA2 -0.295 3.634 3.960 -0.052 0.000 0.217 124 G HA3 -0.295 3.634 3.960 -0.052 0.000 0.217 124 G C 1.646 176.537 174.900 -0.015 0.000 1.168 124 G CA 1.406 46.493 45.100 -0.021 0.000 0.771 124 G HN 0.200 nan 8.290 nan 0.000 0.551 125 T N 1.282 115.826 114.554 -0.018 0.000 2.746 125 T HA -0.064 4.255 4.350 -0.052 0.000 0.267 125 T C 2.391 177.088 174.700 -0.006 0.000 1.039 125 T CA 1.067 63.160 62.100 -0.011 0.000 1.142 125 T CB -0.172 68.690 68.868 -0.010 0.000 0.866 125 T HN 0.255 nan 8.240 nan 0.000 0.444 126 I N 1.235 121.802 120.570 -0.006 0.000 2.226 126 I HA -0.178 3.961 4.170 -0.052 0.000 0.245 126 I C 2.889 179.003 176.117 -0.006 0.000 1.100 126 I CA 1.078 62.375 61.300 -0.005 0.000 1.374 126 I CB -0.461 37.538 38.000 -0.003 0.000 1.057 126 I HN 0.190 nan 8.210 nan 0.000 0.413 127 A N 0.704 123.520 122.820 -0.007 0.000 1.972 127 A HA -0.175 4.113 4.320 -0.052 0.000 0.219 127 A C 2.327 179.908 177.584 -0.004 0.000 1.169 127 A CA 1.269 53.302 52.037 -0.006 0.000 0.635 127 A CB -0.387 18.608 19.000 -0.008 0.000 0.810 127 A HN 0.251 nan 8.150 nan 0.000 0.446 128 R N -0.253 120.246 120.500 -0.000 0.000 2.092 128 R HA 0.000 4.309 4.340 -0.052 0.000 0.231 128 R C 1.986 178.292 176.300 0.010 0.000 1.119 128 R CA 1.087 57.192 56.100 0.009 0.000 0.970 128 R CB -0.920 29.388 30.300 0.014 0.000 0.864 128 R HN 0.597 nan 8.270 nan 0.000 0.440 129 L N 0.085 121.308 121.223 0.000 0.000 2.109 129 L HA -0.064 4.244 4.340 -0.052 0.000 0.207 129 L C 2.421 179.282 176.870 -0.015 0.000 1.086 129 L CA 0.981 55.817 54.840 -0.008 0.000 0.760 129 L CB -0.389 41.662 42.059 -0.014 0.000 0.910 129 L HN 0.066 nan 8.230 nan 0.000 0.437 130 I N -0.100 120.463 120.570 -0.013 0.000 2.252 130 I HA -0.260 3.879 4.170 -0.052 0.000 0.245 130 I C 2.063 178.172 176.117 -0.013 0.000 1.102 130 I CA 1.116 62.406 61.300 -0.016 0.000 1.385 130 I CB -0.345 37.648 38.000 -0.012 0.000 1.064 130 I HN 0.238 nan 8.210 nan 0.000 0.414 131 D N 0.822 121.218 120.400 -0.007 0.000 2.117 131 D HA -0.175 4.433 4.640 -0.052 0.000 0.197 131 D C 2.124 178.421 176.300 -0.005 0.000 0.987 131 D CA 0.933 54.930 54.000 -0.006 0.000 0.829 131 D CB -0.314 40.483 40.800 -0.005 0.000 0.961 131 D HN 0.155 nan 8.370 nan 0.000 0.460 132 L N 0.741 121.967 121.223 0.004 0.000 2.017 132 L HA -0.131 4.178 4.340 -0.052 0.000 0.208 132 L C 2.116 178.973 176.870 -0.021 0.000 1.073 132 L CA 1.405 56.253 54.840 0.013 0.000 0.745 132 L CB -0.894 41.188 42.059 0.038 0.000 0.894 132 L HN 0.094 nan 8.230 nan 0.000 0.432 133 L N 0.223 121.421 121.223 -0.042 0.000 2.131 133 L HA -0.211 4.097 4.340 -0.052 0.000 0.210 133 L C 1.874 178.721 176.870 -0.039 0.000 1.092 133 L CA 1.006 55.803 54.840 -0.071 0.000 0.759 133 L CB -0.594 41.422 42.059 -0.072 0.000 0.903 133 L HN 0.373 nan 8.230 nan 0.000 0.435 134 N N -0.326 118.365 118.700 -0.016 0.000 2.461 134 N HA -0.017 4.692 4.740 -0.052 0.000 0.188 134 N C 0.804 176.326 175.510 0.020 0.000 1.134 134 N CA 0.351 53.402 53.050 0.002 0.000 0.878 134 N CB 0.091 38.578 38.487 -0.001 0.000 0.972 134 N HN 0.359 nan 8.380 nan 0.000 0.456 135 S N -0.298 115.416 115.700 0.024 0.000 2.719 135 S HA 0.333 4.772 4.470 -0.052 0.000 0.285 135 S C 0.754 175.429 174.600 0.124 0.000 1.137 135 S CA -0.499 57.729 58.200 0.046 0.000 1.012 135 S CB 1.538 64.748 63.200 0.017 0.000 1.134 135 S HN -0.113 nan 8.310 nan 0.000 0.544 136 E N -0.023 120.274 120.200 0.161 0.000 2.476 136 E HA 0.370 4.688 4.350 -0.052 0.000 0.196 136 E C -0.061 176.841 176.600 0.504 0.000 1.029 136 E CA -0.017 56.569 56.400 0.309 0.000 0.896 136 E CB -0.139 29.648 29.700 0.145 0.000 1.012 136 E HN 0.506 nan 8.360 nan 0.000 0.475 137 L N -0.210 121.217 121.223 0.340 0.000 2.335 137 L HA 0.757 5.066 4.340 -0.052 0.000 0.268 137 L C 0.050 177.032 176.870 0.188 0.000 1.016 137 L CA -1.067 54.000 54.840 0.379 0.000 0.805 137 L CB 1.379 43.539 42.059 0.168 0.000 1.311 137 L HN -0.174 nan 8.230 nan 0.000 0.456 138 A N 0.687 123.638 122.820 0.218 0.000 2.549 138 A HA 0.785 5.074 4.320 -0.052 0.000 0.297 138 A C -2.834 174.823 177.584 0.121 0.000 1.061 138 A CA -1.274 50.741 52.037 -0.036 0.000 0.690 138 A CB 1.896 20.679 19.000 -0.363 0.000 1.287 138 A HN 0.366 nan 8.150 nan 0.000 0.402 139 P HA 0.425 nan 4.420 nan 0.000 0.278 139 P C -0.389 176.821 177.300 -0.150 0.000 1.238 139 P CA -0.001 62.956 63.100 -0.238 0.000 0.794 139 P CB 1.424 32.980 31.700 -0.240 0.000 0.955 140 A N 3.101 125.808 122.820 -0.189 0.000 2.294 140 A HA 0.512 4.801 4.320 -0.052 0.000 0.316 140 A C 0.173 177.685 177.584 -0.120 0.000 1.359 140 A CA -0.498 51.481 52.037 -0.096 0.000 0.956 140 A CB -0.395 18.569 19.000 -0.061 0.000 1.155 140 A HN 0.436 nan 8.150 nan 0.000 0.544 141 V N 1.025 120.875 119.914 -0.107 0.000 2.604 141 V HA 0.761 4.849 4.120 -0.052 0.000 0.305 141 V C -2.800 173.192 176.094 -0.170 0.000 1.043 141 V CA -2.613 59.602 62.300 -0.141 0.000 0.888 141 V CB 1.831 33.607 31.823 -0.078 0.000 0.995 141 V HN 0.649 nan 8.190 nan 0.000 0.429 142 P HA 0.116 nan 4.420 nan 0.000 0.268 142 P C 0.803 178.022 177.300 -0.135 0.000 1.205 142 P CA 0.379 63.341 63.100 -0.230 0.000 0.771 142 P CB 1.344 32.833 31.700 -0.352 0.000 0.858 143 S N 2.583 118.236 115.700 -0.078 0.000 2.496 143 S HA 0.026 4.464 4.470 -0.052 0.000 0.224 143 S C 0.833 175.417 174.600 -0.026 0.000 0.996 143 S CA 0.103 58.279 58.200 -0.040 0.000 0.927 143 S CB -0.101 63.087 63.200 -0.020 0.000 0.774 143 S HN 0.418 nan 8.310 nan 0.000 0.524 144 R N -0.431 120.050 120.500 -0.032 0.000 2.787 144 R HA 0.646 4.955 4.340 -0.052 0.000 0.271 144 R C 0.735 177.033 176.300 -0.004 0.000 0.993 144 R CA -0.109 55.984 56.100 -0.012 0.000 0.993 144 R CB 1.566 31.860 30.300 -0.009 0.000 1.155 144 R HN 0.284 nan 8.270 nan 0.000 0.486 145 G N 0.049 108.857 108.800 0.013 0.000 2.624 145 G HA2 -0.206 3.723 3.960 -0.052 0.000 0.190 145 G HA3 -0.206 3.723 3.960 -0.052 0.000 0.190 145 G C 0.024 174.942 174.900 0.030 0.000 1.008 145 G CA -0.031 45.085 45.100 0.028 0.000 0.731 145 G HN 0.605 nan 8.290 nan 0.000 0.478 146 T N 0.464 115.033 114.554 0.025 0.000 2.925 146 T HA 0.543 4.862 4.350 -0.052 0.000 0.285 146 T C 1.394 176.112 174.700 0.029 0.000 1.021 146 T CA 0.423 62.537 62.100 0.023 0.000 1.042 146 T CB 1.717 70.596 68.868 0.018 0.000 1.037 146 T HN 1.129 nan 8.240 nan 0.000 0.481 147 V N 1.126 121.060 119.914 0.032 0.000 3.542 147 V HA 0.608 4.697 4.120 -0.052 0.000 0.296 147 V C 1.152 177.277 176.094 0.052 0.000 1.364 147 V CA 0.276 62.602 62.300 0.043 0.000 1.118 147 V CB -1.316 30.534 31.823 0.045 0.000 0.972 147 V HN 1.380 nan 8.190 nan 0.000 0.430 153 L N -0.153 121.039 121.223 -0.052 0.000 2.013 153 L HA -0.209 4.099 4.340 -0.052 0.000 0.212 153 L C 2.401 179.217 176.870 -0.089 0.000 1.073 153 L CA 1.792 56.576 54.840 -0.094 0.000 0.753 153 L CB -0.945 41.037 42.059 -0.129 0.000 0.890 153 L HN 0.104 nan 8.230 nan 0.000 0.432 154 T N 0.292 114.821 114.554 -0.042 0.000 2.595 154 T HA -0.115 4.204 4.350 -0.052 0.000 0.264 154 T C -0.367 174.393 174.700 0.099 0.000 1.058 154 T CA 1.837 63.945 62.100 0.013 0.000 1.166 154 T CB -1.444 67.460 68.868 0.060 0.000 0.863 154 T HN 0.339 nan 8.240 nan 0.000 0.415 155 P HA -0.010 nan 4.420 nan 0.000 0.218 155 P C 1.562 178.884 177.300 0.037 0.000 1.148 155 P CA 1.056 64.195 63.100 0.066 0.000 0.822 155 P CB -0.241 31.466 31.700 0.012 0.000 0.784 156 L N -0.865 120.353 121.223 -0.010 0.000 2.156 156 L HA -0.032 4.277 4.340 -0.052 0.000 0.208 156 L C 2.781 179.609 176.870 -0.070 0.000 1.095 156 L CA 1.162 55.978 54.840 -0.039 0.000 0.770 156 L CB -0.932 41.098 42.059 -0.048 0.000 0.914 156 L HN -0.056 nan 8.230 nan 0.000 0.439 157 A N -0.943 121.811 122.820 -0.110 0.000 1.930 157 A HA -0.203 4.086 4.320 -0.052 0.000 0.217 157 A C 2.098 179.567 177.584 -0.191 0.000 1.175 157 A CA 1.135 53.054 52.037 -0.196 0.000 0.627 157 A CB -0.671 18.146 19.000 -0.303 0.000 0.815 157 A HN 0.385 nan 8.150 nan 0.000 0.443 158 H N -1.158 117.853 119.070 -0.100 0.000 2.423 158 H HA -0.081 4.444 4.556 -0.052 0.000 0.297 158 H C 2.041 177.298 175.328 -0.119 0.000 1.075 158 H CA 1.684 57.673 56.048 -0.098 0.000 1.342 158 H CB -0.208 29.500 29.762 -0.090 0.000 1.395 158 H HN 0.592 nan 8.280 nan 0.000 0.530 159 M N 0.464 120.062 119.600 -0.005 0.000 2.117 159 M HA -0.144 4.305 4.480 -0.052 0.000 0.262 159 M C 2.074 178.327 176.300 -0.078 0.000 1.065 159 M CA 1.239 56.500 55.300 -0.064 0.000 1.114 159 M CB -0.065 32.502 32.600 -0.054 0.000 1.361 159 M HN -0.009 nan 8.290 nan 0.000 0.408 160 V N 1.280 121.151 119.914 -0.072 0.000 2.295 160 V HA -0.300 3.789 4.120 -0.052 0.000 0.246 160 V C 2.424 178.484 176.094 -0.057 0.000 1.049 160 V CA 1.769 64.030 62.300 -0.064 0.000 1.024 160 V CB -0.764 31.010 31.823 -0.081 0.000 0.648 160 V HN 0.536 nan 8.190 nan 0.000 0.447 161 L N -0.863 120.320 121.223 -0.068 0.000 2.042 161 L HA -0.233 4.076 4.340 -0.052 0.000 0.210 161 L C 2.685 179.518 176.870 -0.062 0.000 1.076 161 L CA 1.710 56.522 54.840 -0.046 0.000 0.749 161 L CB -0.794 41.236 42.059 -0.050 0.000 0.893 161 L HN 0.398 nan 8.230 nan 0.000 0.432 162 C N -0.035 119.181 119.300 -0.140 0.000 2.413 162 C HA -0.182 4.247 4.460 -0.052 0.000 0.277 162 C C 2.678 177.565 174.990 -0.172 0.000 1.228 162 C CA 0.570 59.390 59.018 -0.329 0.000 1.731 162 C CB -0.922 26.478 27.740 -0.567 0.000 2.042 162 C HN 0.442 nan 8.230 nan 0.000 0.468 163 L N 0.316 121.512 121.223 -0.046 0.000 2.353 163 L HA -0.178 4.131 4.340 -0.052 0.000 0.220 163 L C 2.400 179.342 176.870 0.119 0.000 1.133 163 L CA 1.265 56.178 54.840 0.122 0.000 0.798 163 L CB -0.686 41.410 42.059 0.062 0.000 0.922 163 L HN 0.551 nan 8.230 nan 0.000 0.445 164 Q N -0.345 119.496 119.800 0.067 0.000 2.360 164 Q HA 0.122 4.431 4.340 -0.052 0.000 0.202 164 Q C 1.328 177.382 176.000 0.090 0.000 0.915 164 Q CA 0.498 56.338 55.803 0.061 0.000 0.943 164 Q CB 0.608 29.365 28.738 0.032 0.000 1.064 164 Q HN 0.547 nan 8.270 nan 0.000 0.511 165 G N 1.800 110.686 108.800 0.143 0.000 2.136 165 G HA2 -0.301 3.628 3.960 -0.052 0.000 0.242 165 G HA3 -0.301 3.628 3.960 -0.052 0.000 0.242 165 G C 0.413 175.377 174.900 0.108 0.000 0.989 165 G CA 0.016 45.223 45.100 0.179 0.000 0.682 165 G HN 0.307 nan 8.290 nan 0.000 0.522 166 R N -0.030 120.505 120.500 0.059 0.000 2.633 166 R HA 0.487 4.796 4.340 -0.052 0.000 0.348 166 R C 0.890 177.192 176.300 0.004 0.000 1.100 166 R CA 0.437 56.556 56.100 0.033 0.000 1.068 166 R CB 0.890 31.209 30.300 0.031 0.000 1.351 166 R HN 0.571 nan 8.270 nan 0.000 0.575 167 G N -0.260 108.528 108.800 -0.021 0.000 2.698 167 G HA2 0.210 4.138 3.960 -0.052 0.000 0.293 167 G HA3 0.210 4.138 3.960 -0.052 0.000 0.293 167 G C -1.462 173.362 174.900 -0.126 0.000 1.437 167 G CA -0.689 44.366 45.100 -0.075 0.000 0.852 167 G HN -0.111 nan 8.290 nan 0.000 0.499 168 D N -0.541 119.801 120.400 -0.097 0.000 2.361 168 D HA 0.553 5.162 4.640 -0.052 0.000 0.239 168 D C -0.488 175.692 176.300 -0.201 0.000 1.200 168 D CA 0.671 54.647 54.000 -0.040 0.000 0.915 168 D CB 0.690 41.492 40.800 0.004 0.000 1.170 168 D HN 0.105 nan 8.370 nan 0.000 0.444 169 F N -0.652 119.321 119.950 0.038 0.000 2.593 169 F HA 0.505 5.001 4.527 -0.053 0.000 0.320 169 F C -0.268 175.579 175.800 0.078 0.000 1.060 169 F CA -0.878 57.153 58.000 0.053 0.000 0.940 169 F CB 1.245 40.276 39.000 0.053 0.000 1.268 169 F HN -0.054 nan 8.300 nan 0.000 0.475 170 L N 1.934 123.361 121.223 0.340 0.000 2.362 170 L HA 0.449 4.758 4.340 -0.052 0.000 0.271 170 L C -0.894 176.211 176.870 0.391 0.000 1.002 170 L CA -1.018 54.002 54.840 0.301 0.000 0.818 170 L CB 1.838 44.075 42.059 0.297 0.000 1.298 170 L HN 0.595 nan 8.230 nan 0.000 0.420 171 D N 1.441 121.965 120.400 0.206 0.000 2.437 171 D HA 0.208 4.817 4.640 -0.052 0.000 0.259 171 D C 0.747 176.873 176.300 -0.290 0.000 1.118 171 D CA -0.646 53.390 54.000 0.059 0.000 1.017 171 D CB 0.946 41.737 40.800 -0.014 0.000 1.120 171 D HN 0.344 nan 8.370 nan 0.000 0.541 172 R N -0.601 119.458 120.500 -0.735 0.000 2.170 172 R HA -0.109 4.200 4.340 -0.052 0.000 0.242 172 R C 0.497 176.464 176.300 -0.555 0.000 1.145 172 R CA 1.381 56.740 56.100 -1.235 0.000 0.984 172 R CB -0.106 29.580 30.300 -1.025 0.000 0.869 172 R HN 0.511 nan 8.270 nan 0.000 0.455 173 D N -1.281 118.945 120.400 -0.290 0.000 2.339 173 D HA 0.075 4.683 4.640 -0.052 0.000 0.217 173 D C 1.157 177.421 176.300 -0.060 0.000 1.050 173 D CA 0.861 54.774 54.000 -0.144 0.000 0.856 173 D CB 0.852 41.590 40.800 -0.103 0.000 0.922 173 D HN 0.422 nan 8.370 nan 0.000 0.518 174 G N 1.554 110.338 108.800 -0.026 0.000 2.176 174 G HA2 -0.277 3.651 3.960 -0.052 0.000 0.253 174 G HA3 -0.277 3.651 3.960 -0.052 0.000 0.253 174 G C 0.664 175.590 174.900 0.043 0.000 0.979 174 G CA 0.509 45.636 45.100 0.044 0.000 0.641 174 G HN 0.432 nan 8.290 nan 0.000 0.530 175 T N -0.428 114.140 114.554 0.023 0.000 2.870 175 T HA 0.594 4.912 4.350 -0.052 0.000 0.300 175 T C 0.554 175.290 174.700 0.059 0.000 0.989 175 T CA -0.244 61.873 62.100 0.029 0.000 1.139 175 T CB 1.172 70.047 68.868 0.011 0.000 0.920 175 T HN 0.525 nan 8.240 nan 0.000 0.537 176 R N 2.373 122.908 120.500 0.058 0.000 2.410 176 R HA 0.608 4.917 4.340 -0.052 0.000 0.288 176 R C -0.309 176.042 176.300 0.086 0.000 1.051 176 R CA -0.645 55.503 56.100 0.079 0.000 1.021 176 R CB 0.732 31.066 30.300 0.057 0.000 1.032 176 R HN 0.606 nan 8.270 nan 0.000 0.481 177 L N 1.776 123.077 121.223 0.130 0.000 2.354 177 L HA 0.344 4.652 4.340 -0.052 0.000 0.269 177 L C -0.239 176.730 176.870 0.165 0.000 1.005 177 L CA -1.312 53.606 54.840 0.129 0.000 0.819 177 L CB 1.874 44.014 42.059 0.135 0.000 1.311 177 L HN 0.672 nan 8.230 nan 0.000 0.423 178 D N 0.970 121.446 120.400 0.126 0.000 2.377 178 D HA 0.109 4.718 4.640 -0.052 0.000 0.245 178 D C 1.222 177.650 176.300 0.213 0.000 1.196 178 D CA -0.058 54.019 54.000 0.129 0.000 0.962 178 D CB 0.790 41.638 40.800 0.080 0.000 1.127 178 D HN 0.575 nan 8.370 nan 0.000 0.471 179 G N -0.188 108.730 108.800 0.197 0.000 2.529 179 G HA2 -0.278 3.650 3.960 -0.052 0.000 0.219 179 G HA3 -0.278 3.650 3.960 -0.052 0.000 0.219 179 G C 1.504 176.538 174.900 0.223 0.000 1.177 179 G CA 2.093 47.361 45.100 0.280 0.000 0.773 179 G HN 0.710 nan 8.290 nan 0.000 0.573 180 A N 0.697 123.588 122.820 0.117 0.000 1.865 180 A HA -0.095 4.194 4.320 -0.052 0.000 0.217 180 A C 2.231 179.829 177.584 0.023 0.000 1.191 180 A CA 2.415 54.488 52.037 0.060 0.000 0.623 180 A CB -0.573 18.452 19.000 0.042 0.000 0.826 180 A HN 0.424 nan 8.150 nan 0.000 0.444 181 E N 0.150 120.369 120.200 0.032 0.000 2.118 181 E HA -0.070 4.249 4.350 -0.052 0.000 0.195 181 E C 1.949 178.504 176.600 -0.074 0.000 0.992 181 E CA 1.674 58.073 56.400 -0.003 0.000 0.804 181 E CB -0.886 28.829 29.700 0.025 0.000 0.741 181 E HN 0.415 nan 8.360 nan 0.000 0.458 182 G N 0.584 109.323 108.800 -0.102 0.000 2.421 182 G HA2 -0.208 3.720 3.960 -0.052 0.000 0.216 182 G HA3 -0.208 3.720 3.960 -0.052 0.000 0.216 182 G C 1.626 176.130 174.900 -0.659 0.000 1.171 182 G CA 0.903 45.675 45.100 -0.547 0.000 0.775 182 G HN 0.319 nan 8.290 nan 0.000 0.543 183 L N -0.278 120.711 121.223 -0.389 0.000 2.093 183 L HA -0.006 4.303 4.340 -0.052 0.000 0.208 183 L C 2.924 179.699 176.870 -0.159 0.000 1.085 183 L CA 1.021 55.720 54.840 -0.236 0.000 0.755 183 L CB -0.405 41.615 42.059 -0.065 0.000 0.904 183 L HN 0.183 nan 8.230 nan 0.000 0.435 184 R N 0.665 121.094 120.500 -0.117 0.000 2.064 184 R HA -0.180 4.129 4.340 -0.052 0.000 0.228 184 R C 2.518 178.766 176.300 -0.086 0.000 1.144 184 R CA 1.628 57.682 56.100 -0.077 0.000 0.932 184 R CB -0.235 30.036 30.300 -0.048 0.000 0.833 184 R HN 0.166 nan 8.270 nan 0.000 0.429 185 R N -0.462 119.979 120.500 -0.099 0.000 2.105 185 R HA -0.104 4.205 4.340 -0.052 0.000 0.239 185 R C 1.832 178.077 176.300 -0.092 0.000 1.135 185 R CA 1.816 57.867 56.100 -0.082 0.000 0.967 185 R CB -0.448 29.808 30.300 -0.073 0.000 0.861 185 R HN 0.424 nan 8.270 nan 0.000 0.442 186 G N -0.409 108.300 108.800 -0.151 0.000 3.042 186 G HA2 -0.036 3.893 3.960 -0.052 0.000 0.212 186 G HA3 -0.036 3.893 3.960 -0.052 0.000 0.212 186 G C -0.226 174.617 174.900 -0.096 0.000 1.166 186 G CA -0.258 44.763 45.100 -0.131 0.000 0.767 186 G HN 0.338 nan 8.290 nan 0.000 0.546 187 R N -0.950 119.497 120.500 -0.089 0.000 3.205 187 R HA -0.140 4.169 4.340 -0.052 0.000 0.249 187 R C -0.693 175.573 176.300 -0.058 0.000 0.937 187 R CA 0.276 56.340 56.100 -0.060 0.000 0.641 187 R CB -2.187 28.090 30.300 -0.039 0.000 1.114 187 R HN 0.333 nan 8.270 nan 0.000 0.451 188 L N 0.498 121.675 121.223 -0.077 0.000 2.330 188 L HA 0.414 4.723 4.340 -0.052 0.000 0.271 188 L C 0.639 177.492 176.870 -0.030 0.000 1.013 188 L CA -1.109 53.698 54.840 -0.055 0.000 0.816 188 L CB 1.680 43.690 42.059 -0.081 0.000 1.287 188 L HN 0.048 nan 8.230 nan 0.000 0.435 189 Q N 2.811 122.605 119.800 -0.009 0.000 2.235 189 Q HA 0.369 4.678 4.340 -0.052 0.000 0.250 189 Q C -2.301 173.709 176.000 0.018 0.000 0.909 189 Q CA -1.781 54.022 55.803 0.000 0.000 0.910 189 Q CB 1.731 30.468 28.738 -0.002 0.000 1.223 189 Q HN 0.294 nan 8.270 nan 0.000 0.432 190 P HA -0.005 nan 4.420 nan 0.000 0.271 190 P C -0.226 177.091 177.300 0.027 0.000 1.216 190 P CA -0.517 62.606 63.100 0.039 0.000 0.771 190 P CB 0.627 32.347 31.700 0.034 0.000 0.864 191 L N 3.232 124.475 121.223 0.034 0.000 2.513 191 L HA 0.080 4.389 4.340 -0.052 0.000 0.272 191 L C 0.117 176.989 176.870 0.003 0.000 1.187 191 L CA 0.828 55.678 54.840 0.016 0.000 0.895 191 L CB -0.727 41.342 42.059 0.016 0.000 1.147 191 L HN 0.329 nan 8.230 nan 0.000 0.483 192 D N 4.967 125.362 120.400 -0.008 0.000 2.462 192 D HA 0.263 4.871 4.640 -0.052 0.000 0.249 192 D C -0.746 175.537 176.300 -0.029 0.000 1.117 192 D CA -0.287 53.703 54.000 -0.017 0.000 0.900 192 D CB 0.281 41.069 40.800 -0.020 0.000 1.039 192 D HN 0.480 nan 8.370 nan 0.000 0.516 193 L N 2.296 123.502 121.223 -0.028 0.000 2.410 193 L HA 0.306 4.614 4.340 -0.052 0.000 0.273 193 L C 0.638 177.484 176.870 -0.041 0.000 1.152 193 L CA -0.166 54.656 54.840 -0.031 0.000 0.855 193 L CB 1.079 43.122 42.059 -0.026 0.000 1.129 193 L HN 0.307 nan 8.230 nan 0.000 0.463 194 S N 1.674 117.337 115.700 -0.061 0.000 2.568 194 S HA 0.489 4.928 4.470 -0.052 0.000 0.293 194 S C 0.059 174.645 174.600 -0.024 0.000 1.089 194 S CA -0.355 57.773 58.200 -0.121 0.000 0.945 194 S CB 0.753 63.778 63.200 -0.291 0.000 1.077 194 S HN 0.942 nan 8.310 nan 0.000 0.485 195 H N 1.678 120.746 119.070 -0.003 0.000 1.452 195 H HA -0.287 4.238 4.556 -0.052 0.000 0.090 195 H C 0.986 176.333 175.328 0.031 0.000 0.989 195 H CA 1.730 57.779 56.048 0.002 0.000 1.901 195 H CB -0.654 29.093 29.762 -0.025 0.000 2.257 195 H HN 0.783 nan 8.280 nan 0.000 0.961 196 R N 1.905 122.528 120.500 0.204 0.000 2.515 196 R HA 0.098 4.406 4.340 -0.052 0.000 0.294 196 R C 0.148 176.528 176.300 0.133 0.000 1.021 196 R CA 0.519 56.722 56.100 0.172 0.000 1.081 196 R CB 0.399 30.838 30.300 0.231 0.000 1.263 196 R HN 0.292 nan 8.270 nan 0.000 0.557 197 D N 2.418 122.873 120.400 0.093 0.000 2.149 197 D HA -0.227 4.382 4.640 -0.052 0.000 0.194 197 D C 1.907 178.227 176.300 0.033 0.000 1.001 197 D CA 1.991 56.023 54.000 0.053 0.000 0.849 197 D CB -0.127 40.682 40.800 0.016 0.000 0.939 197 D HN 0.455 nan 8.370 nan 0.000 0.449 198 A N 0.750 123.583 122.820 0.021 0.000 1.859 198 A HA -0.197 4.092 4.320 -0.052 0.000 0.217 198 A C 2.179 179.746 177.584 -0.028 0.000 1.198 198 A CA 1.506 53.529 52.037 -0.024 0.000 0.629 198 A CB -0.953 18.025 19.000 -0.037 0.000 0.830 198 A HN 0.274 nan 8.150 nan 0.000 0.446 199 L N -0.444 120.795 121.223 0.026 0.000 2.131 199 L HA -0.027 4.282 4.340 -0.052 0.000 0.210 199 L C 2.669 179.575 176.870 0.059 0.000 1.092 199 L CA 2.005 56.871 54.840 0.043 0.000 0.759 199 L CB -0.839 41.320 42.059 0.166 0.000 0.903 199 L HN 0.385 nan 8.230 nan 0.000 0.435 200 A N -0.550 122.318 122.820 0.081 0.000 1.877 200 A HA -0.169 4.120 4.320 -0.052 0.000 0.216 200 A C 2.191 179.796 177.584 0.036 0.000 1.186 200 A CA 1.933 54.018 52.037 0.079 0.000 0.620 200 A CB -0.879 18.180 19.000 0.099 0.000 0.822 200 A HN 0.469 nan 8.150 nan 0.000 0.443 201 L N -0.820 120.410 121.223 0.012 0.000 2.465 201 L HA -0.049 4.259 4.340 -0.052 0.000 0.224 201 L C 1.840 178.692 176.870 -0.030 0.000 1.145 201 L CA 0.343 55.176 54.840 -0.012 0.000 0.834 201 L CB -0.030 42.014 42.059 -0.024 0.000 0.944 201 L HN 0.259 nan 8.230 nan 0.000 0.451 202 V N -1.761 118.129 119.914 -0.039 0.000 3.455 202 V HA 0.073 4.162 4.120 -0.052 0.000 0.250 202 V C 0.814 176.878 176.094 -0.050 0.000 1.230 202 V CA 0.289 62.547 62.300 -0.070 0.000 1.105 202 V CB 0.225 31.965 31.823 -0.140 0.000 0.850 202 V HN 0.298 nan 8.190 nan 0.000 0.461 203 N N 1.439 120.133 118.700 -0.010 0.000 3.250 203 N HA 0.384 5.093 4.740 -0.052 0.000 0.307 203 N C 0.030 175.592 175.510 0.087 0.000 1.355 203 N CA 0.470 53.530 53.050 0.016 0.000 1.192 203 N CB 0.098 38.621 38.487 0.059 0.000 1.478 203 N HN 0.485 nan 8.380 nan 0.000 0.543 204 G N -1.720 107.119 108.800 0.066 0.000 2.827 204 G HA2 0.283 4.211 3.960 -0.052 0.000 0.296 204 G HA3 0.283 4.211 3.960 -0.052 0.000 0.296 204 G C -0.109 174.834 174.900 0.072 0.000 1.362 204 G CA -0.499 44.653 45.100 0.088 0.000 0.809 204 G HN 0.168 nan 8.290 nan 0.000 0.522 205 T N -2.101 112.485 114.554 0.053 0.000 3.258 205 T HA 0.286 4.605 4.350 -0.052 0.000 0.263 205 T C 1.488 176.195 174.700 0.011 0.000 0.983 205 T CA 0.598 62.721 62.100 0.038 0.000 0.907 205 T CB 0.336 69.223 68.868 0.032 0.000 1.096 205 T HN 0.215 nan 8.240 nan 0.000 0.556 206 S N 1.382 117.084 115.700 0.004 0.000 2.399 206 S HA 0.033 4.471 4.470 -0.052 0.000 0.231 206 S C 2.429 177.022 174.600 -0.013 0.000 1.022 206 S CA 0.997 59.190 58.200 -0.011 0.000 0.983 206 S CB -0.439 62.752 63.200 -0.016 0.000 0.803 206 S HN 0.820 nan 8.310 nan 0.000 0.480 207 A N 2.561 125.377 122.820 -0.006 0.000 1.872 207 A HA -0.036 4.253 4.320 -0.052 0.000 0.214 207 A C 2.238 179.825 177.584 0.005 0.000 1.187 207 A CA 1.533 53.567 52.037 -0.005 0.000 0.614 207 A CB -0.708 18.291 19.000 -0.002 0.000 0.826 207 A HN 0.650 nan 8.150 nan 0.000 0.442 208 M N -1.709 117.898 119.600 0.012 0.000 2.229 208 M HA -0.058 4.391 4.480 -0.052 0.000 0.264 208 M C 1.784 178.093 176.300 0.015 0.000 1.063 208 M CA 2.232 57.544 55.300 0.020 0.000 1.114 208 M CB -1.194 31.421 32.600 0.025 0.000 1.387 208 M HN 0.123 nan 8.290 nan 0.000 0.420 209 T N 1.210 115.763 114.554 -0.001 0.000 2.777 209 T HA 0.006 4.325 4.350 -0.052 0.000 0.266 209 T C 1.946 176.645 174.700 -0.002 0.000 1.040 209 T CA 1.669 63.761 62.100 -0.014 0.000 1.141 209 T CB -0.700 68.150 68.868 -0.029 0.000 0.868 209 T HN 0.719 nan 8.240 nan 0.000 0.444 210 G N 1.254 110.051 108.800 -0.006 0.000 2.421 210 G HA2 -0.120 3.809 3.960 -0.052 0.000 0.216 210 G HA3 -0.120 3.809 3.960 -0.052 0.000 0.216 210 G C 1.529 176.441 174.900 0.021 0.000 1.171 210 G CA 0.475 45.570 45.100 -0.008 0.000 0.775 210 G HN 0.478 nan 8.290 nan 0.000 0.543 211 I N 1.475 122.063 120.570 0.029 0.000 2.163 211 I HA -0.197 3.942 4.170 -0.052 0.000 0.243 211 I C 3.278 179.448 176.117 0.088 0.000 1.085 211 I CA 1.130 62.462 61.300 0.054 0.000 1.347 211 I CB -0.203 37.826 38.000 0.048 0.000 1.044 211 I HN 0.239 nan 8.210 nan 0.000 0.408 212 A N 1.105 123.982 122.820 0.094 0.000 1.972 212 A HA -0.162 4.127 4.320 -0.052 0.000 0.219 212 A C 2.232 179.931 177.584 0.191 0.000 1.169 212 A CA 1.718 53.854 52.037 0.165 0.000 0.635 212 A CB -0.796 18.286 19.000 0.136 0.000 0.810 212 A HN 0.525 nan 8.150 nan 0.000 0.446 213 L N -2.130 119.167 121.223 0.123 0.000 2.217 213 L HA 0.026 4.334 4.340 -0.052 0.000 0.211 213 L C 1.923 178.909 176.870 0.194 0.000 1.107 213 L CA 1.522 56.444 54.840 0.136 0.000 0.783 213 L CB -1.015 41.089 42.059 0.075 0.000 0.919 213 L HN -0.004 nan 8.230 nan 0.000 0.442 214 V N 0.809 120.833 119.914 0.185 0.000 2.453 214 V HA -0.138 3.950 4.120 -0.052 0.000 0.247 214 V C 2.400 178.623 176.094 0.214 0.000 1.048 214 V CA 1.588 64.036 62.300 0.247 0.000 1.049 214 V CB -0.935 30.995 31.823 0.178 0.000 0.672 214 V HN 0.501 nan 8.190 nan 0.000 0.457 215 N N 0.923 119.720 118.700 0.162 0.000 2.120 215 N HA -0.109 4.600 4.740 -0.052 0.000 0.188 215 N C 1.919 177.481 175.510 0.087 0.000 1.024 215 N CA 1.633 54.753 53.050 0.115 0.000 0.852 215 N CB -0.513 38.020 38.487 0.077 0.000 1.003 215 N HN 0.475 nan 8.380 nan 0.000 0.424 216 A N 0.451 123.347 122.820 0.127 0.000 1.877 216 A HA -0.218 4.071 4.320 -0.052 0.000 0.216 216 A C 2.127 179.744 177.584 0.054 0.000 1.186 216 A CA 1.877 53.975 52.037 0.101 0.000 0.620 216 A CB -0.987 18.135 19.000 0.203 0.000 0.822 216 A HN 0.432 nan 8.150 nan 0.000 0.443 217 H N -0.137 118.913 119.070 -0.033 0.000 2.293 217 H HA 0.011 4.538 4.556 -0.049 0.000 0.300 217 H C 2.262 177.524 175.328 -0.110 0.000 1.082 217 H CA 2.149 58.093 56.048 -0.174 0.000 1.308 217 H CB -0.335 29.185 29.762 -0.403 0.000 1.375 217 H HN 0.393 nan 8.280 nan 0.000 0.495 218 A N -0.243 122.618 122.820 0.069 0.000 1.908 218 A HA -0.225 4.064 4.320 -0.052 0.000 0.218 218 A C 2.754 180.340 177.584 0.003 0.000 1.181 218 A CA 1.688 53.767 52.037 0.069 0.000 0.627 218 A CB -1.304 17.768 19.000 0.120 0.000 0.818 218 A HN 0.664 nan 8.150 nan 0.000 0.445 219 C N -1.400 117.920 119.300 0.034 0.000 2.422 219 C HA -0.030 4.398 4.460 -0.052 0.000 0.279 219 C C 2.781 177.777 174.990 0.011 0.000 1.305 219 C CA 1.126 60.208 59.018 0.107 0.000 1.757 219 C CB -1.389 26.445 27.740 0.156 0.000 1.962 219 C HN 0.734 nan 8.230 nan 0.000 0.499 220 R N -0.086 120.320 120.500 -0.156 0.000 2.075 220 R HA -0.122 4.187 4.340 -0.052 0.000 0.232 220 R C 2.240 178.361 176.300 -0.298 0.000 1.126 220 R CA 1.505 57.435 56.100 -0.283 0.000 0.963 220 R CB -0.405 29.619 30.300 -0.460 0.000 0.858 220 R HN 0.596 nan 8.270 nan 0.000 0.435 221 H N 0.443 119.394 119.070 -0.199 0.000 2.357 221 H HA -0.067 4.457 4.556 -0.054 0.000 0.301 221 H C 2.153 177.479 175.328 -0.003 0.000 1.082 221 H CA 1.537 57.511 56.048 -0.122 0.000 1.342 221 H CB -0.109 29.578 29.762 -0.124 0.000 1.389 221 H HN 0.246 nan 8.280 nan 0.000 0.511 222 L N -0.267 120.936 121.223 -0.032 0.000 2.093 222 L HA -0.067 4.241 4.340 -0.052 0.000 0.208 222 L C 2.759 179.478 176.870 -0.252 0.000 1.085 222 L CA 1.025 55.653 54.840 -0.352 0.000 0.755 222 L CB -0.755 40.708 42.059 -0.992 0.000 0.904 222 L HN 0.290 nan 8.230 nan 0.000 0.435 223 G N 0.036 108.841 108.800 0.009 0.000 2.418 223 G HA2 -0.261 3.668 3.960 -0.052 0.000 0.217 223 G HA3 -0.261 3.668 3.960 -0.052 0.000 0.217 223 G C 1.384 176.405 174.900 0.201 0.000 1.158 223 G CA 0.570 45.875 45.100 0.342 0.000 0.771 223 G HN 0.314 nan 8.290 nan 0.000 0.545 224 N N 0.077 118.778 118.700 0.003 0.000 2.223 224 N HA -0.091 4.617 4.740 -0.052 0.000 0.185 224 N C 1.832 177.264 175.510 -0.130 0.000 1.016 224 N CA 0.875 53.861 53.050 -0.107 0.000 0.863 224 N CB -0.317 38.041 38.487 -0.215 0.000 0.983 224 N HN 0.594 nan 8.380 nan 0.000 0.429 225 W N 1.495 122.755 121.300 -0.066 0.000 2.418 225 W HA 0.093 4.713 4.660 -0.066 0.000 0.292 225 W C 2.496 178.992 176.519 -0.038 0.000 1.213 225 W CA 1.031 58.330 57.345 -0.076 0.000 1.283 225 W CB -0.382 28.987 29.460 -0.151 0.000 1.119 225 W HN 0.017 nan 8.180 nan 0.000 0.542 226 A N -0.150 122.795 122.820 0.208 0.000 1.940 226 A HA -0.175 4.113 4.320 -0.052 0.000 0.219 226 A C 1.973 179.646 177.584 0.147 0.000 1.176 226 A CA 2.122 54.290 52.037 0.218 0.000 0.631 226 A CB -1.065 18.150 19.000 0.359 0.000 0.814 226 A HN 0.102 nan 8.150 nan 0.000 0.446 227 V N -0.358 119.631 119.914 0.125 0.000 2.323 227 V HA -0.186 3.903 4.120 -0.052 0.000 0.244 227 V C 3.060 179.144 176.094 -0.017 0.000 1.041 227 V CA 1.801 64.121 62.300 0.032 0.000 1.025 227 V CB -1.200 30.648 31.823 0.041 0.000 0.656 227 V HN 0.609 nan 8.190 nan 0.000 0.451 228 A N -0.080 122.725 122.820 -0.026 0.000 1.908 228 A HA -0.168 4.121 4.320 -0.052 0.000 0.218 228 A C 2.189 179.798 177.584 0.043 0.000 1.181 228 A CA 1.881 53.892 52.037 -0.043 0.000 0.627 228 A CB -0.553 18.342 19.000 -0.174 0.000 0.818 228 A HN 0.515 nan 8.150 nan 0.000 0.445 229 L N -1.069 120.218 121.223 0.107 0.000 2.156 229 L HA -0.104 4.205 4.340 -0.052 0.000 0.208 229 L C 2.672 179.607 176.870 0.108 0.000 1.095 229 L CA 1.492 56.408 54.840 0.128 0.000 0.770 229 L CB -0.867 41.287 42.059 0.158 0.000 0.914 229 L HN 0.311 nan 8.230 nan 0.000 0.439 230 T N 0.125 114.735 114.554 0.093 0.000 2.788 230 T HA -0.137 4.181 4.350 -0.052 0.000 0.268 230 T C 2.052 176.865 174.700 0.187 0.000 1.044 230 T CA 1.332 63.499 62.100 0.112 0.000 1.139 230 T CB -0.126 68.759 68.868 0.029 0.000 0.867 230 T HN 0.438 nan 8.240 nan 0.000 0.454 231 A N 1.223 124.116 122.820 0.123 0.000 1.898 231 A HA 0.023 4.311 4.320 -0.052 0.000 0.216 231 A C 2.190 179.894 177.584 0.200 0.000 1.181 231 A CA 1.105 53.274 52.037 0.220 0.000 0.620 231 A CB -0.766 18.294 19.000 0.100 0.000 0.819 231 A HN 0.395 nan 8.150 nan 0.000 0.442 232 L N -0.766 120.533 121.223 0.127 0.000 2.141 232 L HA -0.057 4.251 4.340 -0.052 0.000 0.209 232 L C 2.158 179.087 176.870 0.098 0.000 1.094 232 L CA 1.625 56.525 54.840 0.100 0.000 0.763 232 L CB -0.636 41.473 42.059 0.082 0.000 0.908 232 L HN 0.377 nan 8.230 nan 0.000 0.437 233 L N -0.322 120.971 121.223 0.116 0.000 2.093 233 L HA -0.050 4.259 4.340 -0.052 0.000 0.208 233 L C 2.454 179.385 176.870 0.102 0.000 1.085 233 L CA 1.944 56.843 54.840 0.099 0.000 0.755 233 L CB -0.910 41.216 42.059 0.112 0.000 0.904 233 L HN 0.240 nan 8.230 nan 0.000 0.435 234 A N -0.871 122.042 122.820 0.156 0.000 1.969 234 A HA -0.182 4.107 4.320 -0.052 0.000 0.218 234 A C 2.126 179.737 177.584 0.044 0.000 1.169 234 A CA 1.650 53.742 52.037 0.092 0.000 0.635 234 A CB -0.541 18.529 19.000 0.116 0.000 0.810 234 A HN 0.621 nan 8.150 nan 0.000 0.445 235 E N -1.052 119.190 120.200 0.070 0.000 2.274 235 E HA -0.112 4.207 4.350 -0.052 0.000 0.194 235 E C 1.607 178.226 176.600 0.031 0.000 0.996 235 E CA 0.937 57.364 56.400 0.045 0.000 0.840 235 E CB -0.224 29.510 29.700 0.056 0.000 0.772 235 E HN 0.675 nan 8.360 nan 0.000 0.491 236 C N 0.068 119.388 119.300 0.034 0.000 2.634 236 C HA 0.155 4.584 4.460 -0.052 0.000 0.268 236 C C 1.751 176.748 174.990 0.011 0.000 1.322 236 C CA 0.056 59.086 59.018 0.021 0.000 1.737 236 C CB -0.265 27.486 27.740 0.020 0.000 1.976 236 C HN 0.314 nan 8.230 nan 0.000 0.547 237 L N -0.262 120.967 121.223 0.010 0.000 3.168 237 L HA 0.290 4.599 4.340 -0.052 0.000 0.277 237 L C 0.360 177.223 176.870 -0.012 0.000 1.245 237 L CA -0.078 54.762 54.840 -0.000 0.000 1.035 237 L CB -0.251 41.811 42.059 0.005 0.000 1.399 237 L HN 0.198 nan 8.230 nan 0.000 0.580 238 R N 0.658 121.150 120.500 -0.013 0.000 3.336 238 R HA -0.145 4.164 4.340 -0.052 0.000 0.260 238 R C 0.671 176.939 176.300 -0.054 0.000 1.032 238 R CA 0.430 56.514 56.100 -0.025 0.000 0.693 238 R CB -1.937 28.351 30.300 -0.020 0.000 1.134 238 R HN 0.498 nan 8.270 nan 0.000 0.433 239 G N 0.738 109.492 108.800 -0.076 0.000 2.491 239 G HA2 0.168 4.096 3.960 -0.052 0.000 0.238 239 G HA3 0.168 4.096 3.960 -0.052 0.000 0.238 239 G C 0.089 174.848 174.900 -0.233 0.000 1.277 239 G CA -0.522 44.485 45.100 -0.155 0.000 0.851 239 G HN 0.238 nan 8.290 nan 0.000 0.573 240 R N 0.577 120.908 120.500 -0.281 0.000 2.234 240 R HA 0.240 4.548 4.340 -0.052 0.000 0.324 240 R C 1.509 177.511 176.300 -0.497 0.000 1.054 240 R CA 0.207 56.140 56.100 -0.278 0.000 0.912 240 R CB 0.887 31.077 30.300 -0.183 0.000 1.030 240 R HN 0.696 nan 8.270 nan 0.000 0.455 241 T N -1.364 112.957 114.554 -0.389 0.000 3.088 241 T HA -0.103 4.215 4.350 -0.052 0.000 0.259 241 T C 1.408 175.974 174.700 -0.224 0.000 1.122 241 T CA 0.638 62.491 62.100 -0.411 0.000 1.095 241 T CB -0.013 68.760 68.868 -0.159 0.000 0.930 241 T HN 0.740 nan 8.240 nan 0.000 0.508 242 E N 1.932 122.034 120.200 -0.163 0.000 2.204 242 E HA -0.052 4.267 4.350 -0.052 0.000 0.195 242 E C 2.240 178.814 176.600 -0.043 0.000 0.990 242 E CA 0.984 57.342 56.400 -0.069 0.000 0.821 242 E CB -0.587 29.084 29.700 -0.047 0.000 0.750 242 E HN 0.593 nan 8.360 nan 0.000 0.477 243 A N 0.767 123.515 122.820 -0.120 0.000 2.067 243 A HA -0.094 4.195 4.320 -0.052 0.000 0.219 243 A C 1.071 178.789 177.584 0.223 0.000 1.158 243 A CA 0.760 52.791 52.037 -0.010 0.000 0.661 243 A CB -0.641 18.317 19.000 -0.069 0.000 0.801 243 A HN 0.501 nan 8.150 nan 0.000 0.452 244 W N -0.309 120.995 121.300 0.006 0.000 3.316 244 W HA 0.591 5.228 4.660 -0.038 0.000 0.327 244 W C 0.895 177.419 176.519 0.008 0.000 1.232 244 W CA -1.041 56.309 57.345 0.008 0.000 1.805 244 W CB -1.331 28.137 29.460 0.013 0.000 1.090 244 W HN 0.346 nan 8.180 nan 0.000 0.654 245 A N 0.862 123.797 122.820 0.192 0.000 2.520 245 A HA 0.411 4.700 4.320 -0.052 0.000 0.235 245 A C 1.691 179.330 177.584 0.092 0.000 1.065 245 A CA 0.706 52.811 52.037 0.113 0.000 0.764 245 A CB 0.540 19.578 19.000 0.064 0.000 1.002 245 A HN 0.246 nan 8.150 nan 0.000 0.502 246 A N 2.160 125.021 122.820 0.068 0.000 1.972 246 A HA 0.150 4.439 4.320 -0.052 0.000 0.219 246 A C 2.335 179.941 177.584 0.037 0.000 1.169 246 A CA 2.148 54.215 52.037 0.049 0.000 0.635 246 A CB -0.917 18.105 19.000 0.037 0.000 0.810 246 A HN 1.729 nan 8.150 nan 0.000 0.446 247 A N -0.110 122.730 122.820 0.034 0.000 1.940 247 A HA -0.090 4.199 4.320 -0.052 0.000 0.219 247 A C 2.139 179.738 177.584 0.024 0.000 1.176 247 A CA 1.532 53.583 52.037 0.023 0.000 0.631 247 A CB -0.557 18.455 19.000 0.019 0.000 0.814 247 A HN 0.492 nan 8.150 nan 0.000 0.446 248 L N -0.559 120.685 121.223 0.035 0.000 2.056 248 L HA -0.156 4.152 4.340 -0.052 0.000 0.207 248 L C 2.842 179.730 176.870 0.030 0.000 1.078 248 L CA 1.460 56.320 54.840 0.034 0.000 0.749 248 L CB -0.428 41.661 42.059 0.051 0.000 0.901 248 L HN 0.336 nan 8.230 nan 0.000 0.433 249 S N -0.404 115.318 115.700 0.037 0.000 2.382 249 S HA -0.179 4.260 4.470 -0.052 0.000 0.228 249 S C 1.488 176.096 174.600 0.013 0.000 1.027 249 S CA 1.276 59.495 58.200 0.032 0.000 0.991 249 S CB -0.278 62.945 63.200 0.038 0.000 0.823 249 S HN 0.448 nan 8.310 nan 0.000 0.469 250 D N 1.369 121.775 120.400 0.009 0.000 2.178 250 D HA 0.006 4.614 4.640 -0.052 0.000 0.202 250 D C 1.705 177.996 176.300 -0.015 0.000 0.974 250 D CA 0.681 54.679 54.000 -0.003 0.000 0.841 250 D CB -0.195 40.606 40.800 0.001 0.000 0.953 250 D HN 0.343 nan 8.370 nan 0.000 0.478 251 L N -0.473 120.744 121.223 -0.009 0.000 2.313 251 L HA 0.039 4.348 4.340 -0.052 0.000 0.214 251 L C 1.512 178.363 176.870 -0.033 0.000 1.119 251 L CA 0.471 55.301 54.840 -0.017 0.000 0.809 251 L CB 0.188 42.244 42.059 -0.006 0.000 0.933 251 L HN -0.202 nan 8.230 nan 0.000 0.449 252 R N 0.791 121.270 120.500 -0.035 0.000 2.644 252 R HA 0.193 4.502 4.340 -0.052 0.000 0.271 252 R C -2.182 174.056 176.300 -0.103 0.000 1.687 252 R CA -1.383 54.675 56.100 -0.070 0.000 1.655 252 R CB 0.933 31.235 30.300 0.003 0.000 1.285 252 R HN -0.154 nan 8.270 nan 0.000 0.643 253 P HA -0.093 nan 4.420 nan 0.000 0.311 253 P C -0.669 176.556 177.300 -0.125 0.000 1.543 253 P CA 0.275 63.307 63.100 -0.112 0.000 0.766 253 P CB -0.318 31.326 31.700 -0.094 0.000 1.711 254 H N 0.833 119.906 119.070 0.004 0.000 2.819 254 H HA 0.095 4.621 4.556 -0.050 0.000 0.303 254 H C -1.301 174.041 175.328 0.023 0.000 1.058 254 H CA -1.536 54.517 56.048 0.009 0.000 1.471 254 H CB 0.537 30.300 29.762 0.002 0.000 1.480 254 H HN 0.082 nan 8.280 nan 0.000 0.517 255 P HA -0.176 nan 4.420 nan 0.000 0.216 255 P C 1.654 179.027 177.300 0.122 0.000 1.157 255 P CA 1.789 64.950 63.100 0.102 0.000 0.880 255 P CB 0.101 31.855 31.700 0.090 0.000 0.791 256 G N -0.559 108.333 108.800 0.154 0.000 2.422 256 G HA2 -0.302 3.626 3.960 -0.052 0.000 0.218 256 G HA3 -0.302 3.626 3.960 -0.052 0.000 0.218 256 G C 1.674 176.688 174.900 0.190 0.000 1.146 256 G CA 0.712 45.938 45.100 0.210 0.000 0.769 256 G HN 0.332 nan 8.290 nan 0.000 0.547 257 Q N 0.088 119.964 119.800 0.127 0.000 2.083 257 Q HA -0.049 4.259 4.340 -0.052 0.000 0.198 257 Q C 2.470 178.514 176.000 0.074 0.000 0.969 257 Q CA 1.451 57.302 55.803 0.080 0.000 0.838 257 Q CB -0.196 28.599 28.738 0.096 0.000 0.900 257 Q HN 0.502 nan 8.270 nan 0.000 0.436 258 K N 0.187 120.636 120.400 0.081 0.000 2.063 258 K HA -0.232 4.057 4.320 -0.052 0.000 0.208 258 K C 1.641 178.271 176.600 0.050 0.000 1.048 258 K CA 1.907 58.227 56.287 0.055 0.000 0.928 258 K CB -0.150 32.378 32.500 0.046 0.000 0.713 258 K HN 0.188 nan 8.250 nan 0.000 0.442 259 D N -0.220 120.222 120.400 0.070 0.000 2.117 259 D HA -0.083 4.525 4.640 -0.052 0.000 0.198 259 D C 1.700 178.045 176.300 0.075 0.000 0.982 259 D CA 1.402 55.434 54.000 0.055 0.000 0.828 259 D CB -0.033 40.796 40.800 0.047 0.000 0.967 259 D HN 0.327 nan 8.370 nan 0.000 0.464 260 A N 0.529 123.443 122.820 0.156 0.000 1.877 260 A HA 0.010 4.299 4.320 -0.052 0.000 0.216 260 A C 2.374 179.926 177.584 -0.054 0.000 1.186 260 A CA 2.283 54.404 52.037 0.139 0.000 0.620 260 A CB -1.114 17.930 19.000 0.074 0.000 0.822 260 A HN 0.316 nan 8.150 nan 0.000 0.443 261 A N -0.254 122.532 122.820 -0.058 0.000 1.902 261 A HA 0.182 4.470 4.320 -0.052 0.000 0.217 261 A C 2.495 180.053 177.584 -0.043 0.000 1.181 261 A CA 2.056 54.041 52.037 -0.087 0.000 0.623 261 A CB -0.974 18.031 19.000 0.009 0.000 0.818 261 A HN 1.056 nan 8.150 nan 0.000 0.443 262 A N -0.277 122.537 122.820 -0.009 0.000 1.930 262 A HA -0.129 4.160 4.320 -0.052 0.000 0.217 262 A C 2.234 179.805 177.584 -0.021 0.000 1.175 262 A CA 1.527 53.564 52.037 0.000 0.000 0.627 262 A CB -0.395 18.607 19.000 0.003 0.000 0.815 262 A HN 0.541 nan 8.150 nan 0.000 0.443 263 R N -0.632 119.843 120.500 -0.043 0.000 2.090 263 R HA 0.064 4.372 4.340 -0.052 0.000 0.228 263 R C 2.012 178.257 176.300 -0.090 0.000 1.110 263 R CA 1.162 57.226 56.100 -0.060 0.000 0.973 263 R CB -0.425 29.842 30.300 -0.056 0.000 0.869 263 R HN 0.489 nan 8.270 nan 0.000 0.440 264 L N 0.251 121.367 121.223 -0.177 0.000 2.017 264 L HA -0.178 4.131 4.340 -0.052 0.000 0.208 264 L C 2.544 179.389 176.870 -0.042 0.000 1.073 264 L CA 1.465 56.116 54.840 -0.315 0.000 0.745 264 L CB -0.361 41.144 42.059 -0.923 0.000 0.894 264 L HN 0.146 nan 8.230 nan 0.000 0.432 265 R N -0.143 120.392 120.500 0.058 0.000 2.091 265 R HA -0.176 4.133 4.340 -0.052 0.000 0.238 265 R C 2.381 178.737 176.300 0.093 0.000 1.136 265 R CA 1.400 57.597 56.100 0.162 0.000 0.959 265 R CB -0.569 29.809 30.300 0.130 0.000 0.856 265 R HN 0.383 nan 8.270 nan 0.000 0.437 266 A N 1.343 124.185 122.820 0.036 0.000 1.902 266 A HA -0.147 4.141 4.320 -0.052 0.000 0.217 266 A C 2.063 179.658 177.584 0.018 0.000 1.181 266 A CA 1.086 53.134 52.037 0.017 0.000 0.623 266 A CB -0.264 18.730 19.000 -0.010 0.000 0.818 266 A HN 0.113 nan 8.150 nan 0.000 0.443 267 R N -0.167 120.341 120.500 0.013 0.000 2.096 267 R HA -0.114 4.195 4.340 -0.052 0.000 0.235 267 R C 1.912 178.245 176.300 0.056 0.000 1.127 267 R CA 1.747 57.856 56.100 0.015 0.000 0.968 267 R CB -1.377 28.922 30.300 -0.003 0.000 0.861 267 R HN 0.672 nan 8.270 nan 0.000 0.440 268 V N -0.624 119.355 119.914 0.109 0.000 3.633 268 V HA 0.097 4.186 4.120 -0.052 0.000 0.283 268 V C 0.190 176.331 176.094 0.078 0.000 1.305 268 V CA -0.542 61.829 62.300 0.119 0.000 1.153 268 V CB -0.668 31.273 31.823 0.197 0.000 0.950 268 V HN -0.074 nan 8.190 nan 0.000 0.432 269 D N 1.402 121.838 120.400 0.059 0.000 2.458 269 D HA 0.417 5.026 4.640 -0.052 0.000 0.243 269 D C 1.450 177.767 176.300 0.028 0.000 1.146 269 D CA 1.848 55.871 54.000 0.039 0.000 0.877 269 D CB 0.546 41.362 40.800 0.028 0.000 1.176 269 D HN 0.560 nan 8.370 nan 0.000 0.461 270 G N 2.413 111.226 108.800 0.021 0.000 2.176 270 G HA2 -0.268 3.661 3.960 -0.052 0.000 0.253 270 G HA3 -0.268 3.661 3.960 -0.052 0.000 0.253 270 G C 0.447 175.358 174.900 0.018 0.000 0.979 270 G CA 0.341 45.451 45.100 0.016 0.000 0.641 270 G HN 0.777 nan 8.290 nan 0.000 0.530 271 S N 0.083 115.797 115.700 0.024 0.000 2.548 271 S HA 0.670 5.108 4.470 -0.052 0.000 0.277 271 S C 1.201 175.811 174.600 0.016 0.000 1.315 271 S CA 0.803 59.018 58.200 0.025 0.000 1.050 271 S CB 1.308 64.531 63.200 0.038 0.000 0.918 271 S HN 1.596 nan 8.310 nan 0.000 0.497 272 A N 5.304 128.134 122.820 0.016 0.000 2.470 272 A HA 0.343 4.631 4.320 -0.052 0.000 0.251 272 A C 1.664 179.257 177.584 0.015 0.000 1.245 272 A CA -0.346 51.699 52.037 0.014 0.000 0.932 272 A CB 0.094 19.102 19.000 0.014 0.000 1.037 272 A HN 0.720 nan 8.150 nan 0.000 0.522 273 R N -0.155 120.354 120.500 0.016 0.000 2.290 273 R HA 0.121 4.430 4.340 -0.052 0.000 0.197 273 R C 0.640 176.943 176.300 0.005 0.000 0.913 273 R CA 0.815 56.923 56.100 0.013 0.000 1.040 273 R CB -0.214 30.097 30.300 0.018 0.000 0.992 273 R HN 0.486 nan 8.270 nan 0.000 0.500 274 V N -1.389 118.524 119.914 -0.001 0.000 2.837 274 V HA 0.481 4.570 4.120 -0.052 0.000 0.310 274 V C 0.471 176.551 176.094 -0.024 0.000 1.059 274 V CA -0.985 61.297 62.300 -0.030 0.000 1.004 274 V CB 2.106 33.900 31.823 -0.048 0.000 1.045 274 V HN -0.268 nan 8.190 nan 0.000 0.465 275 V N 4.135 124.024 119.914 -0.041 0.000 2.406 275 V HA 0.445 4.534 4.120 -0.052 0.000 0.272 275 V C 1.037 177.116 176.094 -0.025 0.000 1.043 275 V CA -0.227 62.080 62.300 0.012 0.000 0.915 275 V CB 0.725 32.555 31.823 0.011 0.000 0.988 275 V HN 0.948 nan 8.190 nan 0.000 0.466 276 R N 1.519 122.003 120.500 -0.026 0.000 2.365 276 R HA 0.197 4.506 4.340 -0.052 0.000 0.223 276 R C -0.211 176.004 176.300 -0.141 0.000 0.899 276 R CA -0.236 55.797 56.100 -0.112 0.000 1.059 276 R CB 0.231 30.440 30.300 -0.153 0.000 1.086 276 R HN 0.742 nan 8.270 nan 0.000 0.522 277 H N 0.308 119.354 119.070 -0.040 0.000 2.848 277 H HA 0.070 4.594 4.556 -0.054 0.000 0.317 277 H C -0.150 175.157 175.328 -0.035 0.000 1.046 277 H CA -0.040 55.989 56.048 -0.031 0.000 1.470 277 H CB 0.819 30.565 29.762 -0.027 0.000 1.483 277 H HN -0.204 nan 8.280 nan 0.000 0.548 278 V N 6.077 126.030 119.914 0.064 0.000 2.470 278 V HA -0.059 4.030 4.120 -0.052 0.000 0.276 278 V C 1.891 178.012 176.094 0.046 0.000 1.040 278 V CA 0.138 62.457 62.300 0.032 0.000 1.008 278 V CB -0.051 31.780 31.823 0.014 0.000 0.990 278 V HN 0.829 nan 8.190 nan 0.000 0.477 279 I N 3.395 123.981 120.570 0.027 0.000 2.361 279 I HA -0.115 4.024 4.170 -0.052 0.000 0.251 279 I C 2.126 178.251 176.117 0.013 0.000 1.133 279 I CA 1.897 63.207 61.300 0.017 0.000 1.413 279 I CB -0.340 37.662 38.000 0.003 0.000 1.073 279 I HN 0.574 nan 8.210 nan 0.000 0.424 280 A N 1.114 123.941 122.820 0.012 0.000 2.125 280 A HA -0.128 4.161 4.320 -0.052 0.000 0.219 280 A C 2.161 179.752 177.584 0.011 0.000 1.156 280 A CA 1.313 53.355 52.037 0.009 0.000 0.671 280 A CB -0.544 18.461 19.000 0.008 0.000 0.794 280 A HN 0.553 nan 8.150 nan 0.000 0.459 281 E N -0.097 120.114 120.200 0.018 0.000 2.208 281 E HA -0.106 4.213 4.350 -0.052 0.000 0.193 281 E C 1.170 177.780 176.600 0.017 0.000 0.988 281 E CA 0.182 56.595 56.400 0.021 0.000 0.828 281 E CB -0.199 29.521 29.700 0.034 0.000 0.763 281 E HN 0.643 nan 8.360 nan 0.000 0.478 282 R N 1.817 122.325 120.500 0.013 0.000 2.401 282 R HA 0.079 4.388 4.340 -0.052 0.000 0.299 282 R C -0.335 175.965 176.300 0.000 0.000 1.064 282 R CA -0.034 56.069 56.100 0.003 0.000 1.000 282 R CB 0.457 30.753 30.300 -0.006 0.000 0.973 282 R HN -0.132 nan 8.270 nan 0.000 0.438 283 R N 5.163 125.663 120.500 -0.001 0.000 2.265 283 R HA 0.299 4.607 4.340 -0.052 0.000 0.319 283 R C -0.449 175.849 176.300 -0.004 0.000 1.006 283 R CA -0.619 55.481 56.100 -0.001 0.000 0.880 283 R CB 1.174 31.474 30.300 -0.000 0.000 1.077 283 R HN 0.489 nan 8.270 nan 0.000 0.454 284 L N 3.187 124.408 121.223 -0.004 0.000 2.357 284 L HA 0.311 4.619 4.340 -0.052 0.000 0.273 284 L C 0.618 177.485 176.870 -0.005 0.000 1.080 284 L CA -0.511 54.325 54.840 -0.006 0.000 0.803 284 L CB 0.869 42.924 42.059 -0.006 0.000 1.174 284 L HN 0.703 nan 8.230 nan 0.000 0.443 285 D N 1.619 122.015 120.400 -0.006 0.000 2.621 285 D HA 0.328 4.937 4.640 -0.052 0.000 0.255 285 D C 0.615 176.912 176.300 -0.005 0.000 1.122 285 D CA -0.425 53.572 54.000 -0.005 0.000 1.096 285 D CB 1.684 42.481 40.800 -0.005 0.000 1.282 285 D HN 0.446 nan 8.370 nan 0.000 0.619 286 A N -0.189 122.628 122.820 -0.005 0.000 1.933 286 A HA 0.034 4.322 4.320 -0.052 0.000 0.218 286 A C 2.014 179.595 177.584 -0.005 0.000 1.175 286 A CA 1.932 53.967 52.037 -0.004 0.000 0.628 286 A CB -1.354 17.644 19.000 -0.004 0.000 0.814 286 A HN 0.687 nan 8.150 nan 0.000 0.444 287 G N -1.132 107.665 108.800 -0.006 0.000 2.776 287 G HA2 -0.031 3.897 3.960 -0.052 0.000 0.209 287 G HA3 -0.031 3.897 3.960 -0.052 0.000 0.209 287 G C 0.832 175.727 174.900 -0.008 0.000 1.145 287 G CA 0.859 45.955 45.100 -0.007 0.000 0.791 287 G HN 0.462 nan 8.290 nan 0.000 0.530 288 D N 0.284 120.679 120.400 -0.008 0.000 2.277 288 D HA 0.021 4.630 4.640 -0.052 0.000 0.209 288 D C 1.180 177.475 176.300 -0.009 0.000 0.970 288 D CA -0.117 53.877 54.000 -0.010 0.000 0.874 288 D CB 0.390 41.184 40.800 -0.011 0.000 0.982 288 D HN 0.094 nan 8.370 nan 0.000 0.504 289 I N 1.551 122.117 120.570 -0.007 0.000 2.821 289 I HA 0.192 4.331 4.170 -0.052 0.000 0.294 289 I C 1.429 177.542 176.117 -0.007 0.000 1.210 289 I CA 1.065 62.361 61.300 -0.006 0.000 1.430 289 I CB -0.343 37.654 38.000 -0.005 0.000 1.356 289 I HN 0.061 nan 8.210 nan 0.000 0.563 290 G N 5.758 114.554 108.800 -0.007 0.000 2.368 290 G HA2 0.113 4.042 3.960 -0.052 0.000 0.269 290 G HA3 0.113 4.042 3.960 -0.052 0.000 0.269 290 G C -1.095 173.801 174.900 -0.008 0.000 1.291 290 G CA -0.690 44.406 45.100 -0.007 0.000 0.903 290 G HN 0.426 nan 8.290 nan 0.000 0.483 291 T N 1.919 116.468 114.554 -0.008 0.000 2.756 291 T HA 0.574 4.893 4.350 -0.052 0.000 0.290 291 T C -0.121 174.573 174.700 -0.011 0.000 0.985 291 T CA -0.238 61.857 62.100 -0.009 0.000 0.955 291 T CB 1.379 70.242 68.868 -0.008 0.000 0.930 291 T HN 0.462 nan 8.240 nan 0.000 0.451 292 E N 3.084 123.277 120.200 -0.012 0.000 2.314 292 E HA 0.202 4.521 4.350 -0.052 0.000 0.262 292 E C -1.264 175.327 176.600 -0.015 0.000 1.093 292 E CA -1.999 54.393 56.400 -0.015 0.000 0.908 292 E CB 0.669 30.359 29.700 -0.017 0.000 1.091 292 E HN 0.324 nan 8.360 nan 0.000 0.425 293 P HA -0.115 nan 4.420 nan 0.000 0.217 293 P C -0.611 176.679 177.300 -0.016 0.000 1.150 293 P CA 1.344 64.434 63.100 -0.016 0.000 0.832 293 P CB 0.334 32.023 31.700 -0.017 0.000 0.787 294 E N -1.709 118.481 120.200 -0.018 0.000 2.393 294 E HA 0.607 4.926 4.350 -0.052 0.000 0.273 294 E C -1.008 175.583 176.600 -0.016 0.000 0.918 294 E CA -1.159 55.230 56.400 -0.017 0.000 0.773 294 E CB 2.017 31.706 29.700 -0.019 0.000 1.275 294 E HN -0.119 nan 8.360 nan 0.000 0.451 295 A N 0.438 123.250 122.820 -0.013 0.000 2.366 295 A HA 0.452 4.741 4.320 -0.052 0.000 0.249 295 A C 1.163 178.741 177.584 -0.010 0.000 1.084 295 A CA 0.337 52.369 52.037 -0.009 0.000 0.794 295 A CB 0.124 19.123 19.000 -0.003 0.000 1.034 295 A HN 0.778 nan 8.150 nan 0.000 0.491 296 G N -0.653 108.142 108.800 -0.007 0.000 2.679 296 G HA2 0.248 4.176 3.960 -0.052 0.000 0.212 296 G HA3 0.248 4.176 3.960 -0.052 0.000 0.212 296 G C 0.461 175.355 174.900 -0.009 0.000 1.137 296 G CA 0.415 45.509 45.100 -0.010 0.000 0.787 296 G HN 0.728 nan 8.290 nan 0.000 0.534 297 Q N 0.208 120.008 119.800 0.000 0.000 2.423 297 Q HA 0.331 4.640 4.340 -0.052 0.000 0.278 297 Q C -1.442 174.566 176.000 0.014 0.000 1.097 297 Q CA -1.052 54.755 55.803 0.006 0.000 0.809 297 Q CB 2.046 30.803 28.738 0.033 0.000 1.391 297 Q HN 0.021 nan 8.270 nan 0.000 0.428 298 D N 0.662 121.067 120.400 0.010 0.000 2.383 298 D HA 0.375 4.983 4.640 -0.052 0.000 0.248 298 D C -0.119 176.233 176.300 0.086 0.000 1.170 298 D CA -0.122 53.893 54.000 0.024 0.000 0.977 298 D CB 0.794 41.594 40.800 -0.001 0.000 1.120 298 D HN 0.625 nan 8.370 nan 0.000 0.481 299 A N 0.225 123.093 122.820 0.080 0.000 2.366 299 A HA 0.028 4.317 4.320 -0.052 0.000 0.250 299 A C 0.642 178.378 177.584 0.253 0.000 1.099 299 A CA -0.083 52.017 52.037 0.105 0.000 0.794 299 A CB -0.101 18.919 19.000 0.035 0.000 1.056 299 A HN 0.538 nan 8.150 nan 0.000 0.499 300 Y N 0.761 121.078 120.300 0.028 0.000 2.207 300 Y HA -0.196 4.320 4.550 -0.056 0.000 0.287 300 Y C 2.966 178.901 175.900 0.058 0.000 1.156 300 Y CA 1.613 59.737 58.100 0.040 0.000 1.182 300 Y CB -1.298 37.177 38.460 0.025 0.000 0.979 300 Y HN 0.731 nan 8.280 nan 0.000 0.521 301 S N -0.925 114.904 115.700 0.215 0.000 2.493 301 S HA -0.133 4.306 4.470 -0.052 0.000 0.243 301 S C 1.819 176.523 174.600 0.174 0.000 0.991 301 S CA 1.218 59.509 58.200 0.153 0.000 0.957 301 S CB -0.582 62.683 63.200 0.108 0.000 0.756 301 S HN 0.463 nan 8.310 nan 0.000 0.521 302 L N -0.332 121.012 121.223 0.202 0.000 2.519 302 L HA 0.352 4.661 4.340 -0.052 0.000 0.194 302 L C 2.771 179.855 176.870 0.356 0.000 1.072 302 L CA 0.245 55.252 54.840 0.279 0.000 0.845 302 L CB -0.201 41.959 42.059 0.169 0.000 1.138 302 L HN 0.171 nan 8.230 nan 0.000 0.487 303 R N -0.127 120.500 120.500 0.211 0.000 2.120 303 R HA -0.129 4.180 4.340 -0.052 0.000 0.234 303 R C 1.505 177.901 176.300 0.161 0.000 1.123 303 R CA 1.672 57.870 56.100 0.163 0.000 0.975 303 R CB -0.155 30.200 30.300 0.092 0.000 0.866 303 R HN 0.389 nan 8.270 nan 0.000 0.446 304 C N 0.256 119.608 119.300 0.087 0.000 2.688 304 C HA 0.439 4.867 4.460 -0.052 0.000 0.297 304 C C 2.084 177.086 174.990 0.020 0.000 1.308 304 C CA -0.393 58.616 59.018 -0.015 0.000 1.726 304 C CB -0.354 27.274 27.740 -0.187 0.000 1.982 304 C HN 0.608 nan 8.230 nan 0.000 0.604 305 A N 2.599 125.478 122.820 0.098 0.000 1.908 305 A HA -0.107 4.182 4.320 -0.052 0.000 0.218 305 A C -0.025 177.486 177.584 -0.123 0.000 1.181 305 A CA 1.815 53.847 52.037 -0.008 0.000 0.627 305 A CB -1.466 17.535 19.000 0.002 0.000 0.818 305 A HN 0.417 nan 8.150 nan 0.000 0.445 306 P HA -0.135 nan 4.420 nan 0.000 0.216 306 P C 1.309 178.550 177.300 -0.099 0.000 1.153 306 P CA 1.418 64.442 63.100 -0.127 0.000 0.848 306 P CB -0.032 31.635 31.700 -0.055 0.000 0.787 307 Q N -0.900 118.857 119.800 -0.072 0.000 2.079 307 Q HA -0.086 4.223 4.340 -0.052 0.000 0.200 307 Q C 2.133 178.055 176.000 -0.131 0.000 0.974 307 Q CA 1.303 57.056 55.803 -0.083 0.000 0.840 307 Q CB -1.434 27.259 28.738 -0.074 0.000 0.898 307 Q HN 0.085 nan 8.270 nan 0.000 0.430 308 V N 0.277 120.110 119.914 -0.134 0.000 2.283 308 V HA -0.198 3.891 4.120 -0.052 0.000 0.243 308 V C 2.094 178.039 176.094 -0.249 0.000 1.039 308 V CA 1.445 63.651 62.300 -0.157 0.000 1.016 308 V CB -0.572 31.185 31.823 -0.109 0.000 0.650 308 V HN 0.301 nan 8.190 nan 0.000 0.449 309 L N 0.523 121.556 121.223 -0.316 0.000 2.083 309 L HA -0.086 4.222 4.340 -0.052 0.000 0.209 309 L C 2.668 179.059 176.870 -0.799 0.000 1.083 309 L CA 1.719 56.191 54.840 -0.614 0.000 0.752 309 L CB -1.201 40.494 42.059 -0.607 0.000 0.899 309 L HN 0.482 nan 8.230 nan 0.000 0.433 310 G N -0.264 108.291 108.800 -0.407 0.000 2.440 310 G HA2 -0.286 3.643 3.960 -0.052 0.000 0.218 310 G HA3 -0.286 3.643 3.960 -0.052 0.000 0.218 310 G C 1.767 176.581 174.900 -0.144 0.000 1.154 310 G CA 0.880 45.870 45.100 -0.183 0.000 0.767 310 G HN 0.477 nan 8.290 nan 0.000 0.552 311 A N 0.764 123.468 122.820 -0.193 0.000 1.933 311 A HA 0.176 4.465 4.320 -0.052 0.000 0.218 311 A C 2.696 180.210 177.584 -0.116 0.000 1.175 311 A CA 2.057 53.995 52.037 -0.166 0.000 0.628 311 A CB -0.977 17.915 19.000 -0.180 0.000 0.814 311 A HN 0.529 nan 8.150 nan 0.000 0.444 312 G N -1.066 107.621 108.800 -0.188 0.000 2.402 312 G HA2 -0.114 3.814 3.960 -0.052 0.000 0.216 312 G HA3 -0.114 3.814 3.960 -0.052 0.000 0.216 312 G C 1.279 176.225 174.900 0.076 0.000 1.162 312 G CA 1.045 46.068 45.100 -0.128 0.000 0.777 312 G HN 0.380 nan 8.290 nan 0.000 0.539 313 F N 1.674 121.630 119.950 0.011 0.000 2.171 313 F HA 0.035 4.577 4.527 0.024 0.000 0.300 313 F C 2.314 178.141 175.800 0.045 0.000 1.090 313 F CA 0.458 58.476 58.000 0.031 0.000 1.293 313 F CB -0.595 38.417 39.000 0.019 0.000 1.013 313 F HN 0.105 nan 8.300 nan 0.000 0.486 314 D N -0.594 119.934 120.400 0.214 0.000 2.178 314 D HA -0.100 4.509 4.640 -0.052 0.000 0.202 314 D C 2.240 178.648 176.300 0.179 0.000 0.974 314 D CA 1.422 55.514 54.000 0.154 0.000 0.841 314 D CB -0.389 40.452 40.800 0.068 0.000 0.953 314 D HN 0.191 nan 8.370 nan 0.000 0.478 315 T N 1.187 115.837 114.554 0.160 0.000 2.737 315 T HA -0.126 4.193 4.350 -0.052 0.000 0.265 315 T C 1.915 176.785 174.700 0.283 0.000 1.038 315 T CA 0.455 62.691 62.100 0.226 0.000 1.144 315 T CB -0.281 68.671 68.868 0.141 0.000 0.866 315 T HN 0.045 nan 8.240 nan 0.000 0.434 316 L N 1.541 122.891 121.223 0.211 0.000 2.079 316 L HA 0.047 4.355 4.340 -0.052 0.000 0.210 316 L C 2.558 179.558 176.870 0.217 0.000 1.081 316 L CA 1.794 56.742 54.840 0.179 0.000 0.752 316 L CB -1.016 41.138 42.059 0.160 0.000 0.896 316 L HN 0.224 nan 8.230 nan 0.000 0.433 317 A N -1.175 121.773 122.820 0.213 0.000 1.902 317 A HA -0.279 4.010 4.320 -0.052 0.000 0.217 317 A C 2.125 179.857 177.584 0.247 0.000 1.181 317 A CA 1.761 53.911 52.037 0.189 0.000 0.623 317 A CB -1.455 17.644 19.000 0.166 0.000 0.818 317 A HN 0.742 nan 8.150 nan 0.000 0.443 318 W N 0.392 121.753 121.300 0.101 0.000 2.355 318 W HA -0.193 4.433 4.660 -0.057 0.000 0.309 318 W C 2.264 178.850 176.519 0.111 0.000 1.206 318 W CA 1.942 59.340 57.345 0.090 0.000 1.284 318 W CB -0.775 28.731 29.460 0.077 0.000 1.145 318 W HN 0.630 nan 8.180 nan 0.000 0.502 319 H N 0.143 119.181 119.070 -0.053 0.000 2.353 319 H HA -0.174 4.352 4.556 -0.049 0.000 0.298 319 H C 1.360 176.590 175.328 -0.163 0.000 1.103 319 H CA 2.390 58.296 56.048 -0.236 0.000 1.293 319 H CB -0.505 29.220 29.762 -0.062 0.000 1.372 319 H HN 0.077 nan 8.280 nan 0.000 0.501 320 D N 0.220 120.676 120.400 0.093 0.000 2.144 320 D HA -0.068 4.541 4.640 -0.052 0.000 0.200 320 D C 2.598 178.874 176.300 -0.040 0.000 0.978 320 D CA 0.550 54.574 54.000 0.041 0.000 0.833 320 D CB -0.196 40.671 40.800 0.111 0.000 0.961 320 D HN 0.392 nan 8.370 nan 0.000 0.470 321 R N 0.330 120.817 120.500 -0.022 0.000 2.073 321 R HA -0.055 4.254 4.340 -0.052 0.000 0.234 321 R C 2.350 178.601 176.300 -0.082 0.000 1.134 321 R CA 0.755 56.852 56.100 -0.006 0.000 0.952 321 R CB -0.475 29.869 30.300 0.073 0.000 0.850 321 R HN 0.089 nan 8.270 nan 0.000 0.433 322 V N 1.463 121.251 119.914 -0.210 0.000 2.343 322 V HA -0.223 3.866 4.120 -0.052 0.000 0.247 322 V C 2.222 178.175 176.094 -0.236 0.000 1.051 322 V CA 1.455 63.604 62.300 -0.252 0.000 1.036 322 V CB -0.433 31.114 31.823 -0.461 0.000 0.654 322 V HN 0.237 nan 8.190 nan 0.000 0.451 323 L N -0.068 120.975 121.223 -0.301 0.000 2.093 323 L HA -0.125 4.184 4.340 -0.052 0.000 0.208 323 L C 2.414 179.202 176.870 -0.137 0.000 1.085 323 L CA 2.285 56.973 54.840 -0.253 0.000 0.755 323 L CB -0.912 40.947 42.059 -0.333 0.000 0.904 323 L HN 0.327 nan 8.230 nan 0.000 0.435 324 T N -0.137 114.362 114.554 -0.091 0.000 2.746 324 T HA -0.143 4.175 4.350 -0.052 0.000 0.267 324 T C 1.947 176.633 174.700 -0.022 0.000 1.039 324 T CA 1.977 64.057 62.100 -0.033 0.000 1.142 324 T CB -0.279 68.614 68.868 0.041 0.000 0.866 324 T HN 0.323 nan 8.240 nan 0.000 0.444 325 I N 0.684 121.229 120.570 -0.041 0.000 2.202 325 I HA -0.135 4.004 4.170 -0.052 0.000 0.242 325 I C 2.712 178.780 176.117 -0.082 0.000 1.091 325 I CA 1.265 62.536 61.300 -0.048 0.000 1.368 325 I CB -0.306 37.643 38.000 -0.084 0.000 1.058 325 I HN 0.200 nan 8.210 nan 0.000 0.410 326 E N 1.258 121.388 120.200 -0.116 0.000 2.077 326 E HA -0.255 4.064 4.350 -0.052 0.000 0.193 326 E C 2.026 178.576 176.600 -0.083 0.000 0.989 326 E CA 1.229 57.561 56.400 -0.112 0.000 0.800 326 E CB -0.232 29.396 29.700 -0.120 0.000 0.746 326 E HN 0.297 nan 8.360 nan 0.000 0.452 327 L N 0.964 122.137 121.223 -0.084 0.000 2.083 327 L HA -0.087 4.222 4.340 -0.052 0.000 0.209 327 L C 1.051 177.874 176.870 -0.078 0.000 1.083 327 L CA 1.801 56.593 54.840 -0.080 0.000 0.752 327 L CB -0.393 41.610 42.059 -0.094 0.000 0.899 327 L HN 0.146 nan 8.230 nan 0.000 0.433 328 N N -0.052 118.603 118.700 -0.074 0.000 2.276 328 N HA 0.227 4.936 4.740 -0.052 0.000 0.212 328 N C 0.166 175.662 175.510 -0.023 0.000 1.127 328 N CA 0.606 53.626 53.050 -0.049 0.000 0.834 328 N CB 0.308 38.785 38.487 -0.016 0.000 1.014 328 N HN 0.392 nan 8.380 nan 0.000 0.491 329 A N 0.186 122.982 122.820 -0.040 0.000 2.269 329 A HA 0.588 4.876 4.320 -0.052 0.000 0.327 329 A C 0.022 177.584 177.584 -0.037 0.000 1.112 329 A CA -0.447 51.564 52.037 -0.043 0.000 0.865 329 A CB 1.133 20.091 19.000 -0.070 0.000 1.227 329 A HN -0.030 nan 8.150 nan 0.000 0.498 330 V N 1.816 121.707 119.914 -0.037 0.000 2.334 330 V HA 0.386 4.474 4.120 -0.052 0.000 0.267 330 V C 0.309 176.380 176.094 -0.038 0.000 1.040 330 V CA 0.176 62.458 62.300 -0.029 0.000 0.866 330 V CB 0.536 32.343 31.823 -0.027 0.000 1.019 330 V HN 0.932 nan 8.190 nan 0.000 0.468 331 T N 0.472 115.013 114.554 -0.020 0.000 3.042 331 T HA 0.651 4.970 4.350 -0.052 0.000 0.356 331 T C -0.770 173.952 174.700 0.037 0.000 1.233 331 T CA -0.599 61.497 62.100 -0.006 0.000 1.038 331 T CB 0.943 69.814 68.868 0.005 0.000 1.089 331 T HN 0.588 nan 8.240 nan 0.000 0.531 332 D N 1.772 122.193 120.400 0.035 0.000 2.622 332 D HA 0.509 5.117 4.640 -0.052 0.000 0.255 332 D C -1.669 174.669 176.300 0.064 0.000 1.246 332 D CA -0.429 53.612 54.000 0.069 0.000 0.795 332 D CB 2.297 43.112 40.800 0.025 0.000 1.369 332 D HN 0.514 nan 8.370 nan 0.000 0.425 333 N N 0.922 119.689 118.700 0.112 0.000 2.493 333 N HA 0.451 5.159 4.740 -0.052 0.000 0.279 333 N C -2.935 172.622 175.510 0.078 0.000 1.082 333 N CA -1.013 52.078 53.050 0.069 0.000 0.963 333 N CB 2.889 41.550 38.487 0.289 0.000 1.627 333 N HN 0.046 nan 8.380 nan 0.000 0.499 334 P HA 0.339 nan 4.420 nan 0.000 0.293 334 P C -0.905 176.067 177.300 -0.548 0.000 1.304 334 P CA -0.435 62.415 63.100 -0.417 0.000 0.767 334 P CB 0.926 32.157 31.700 -0.782 0.000 1.247 335 V N -3.932 115.596 119.914 -0.644 0.000 2.914 335 V HA 0.625 4.713 4.120 -0.052 0.000 0.314 335 V C -0.959 174.685 176.094 -0.750 0.000 1.084 335 V CA -0.929 61.003 62.300 -0.614 0.000 0.963 335 V CB 1.554 33.218 31.823 -0.265 0.000 1.025 335 V HN 0.212 nan 8.190 nan 0.000 0.432 336 F N 1.933 121.867 119.950 -0.027 0.000 2.359 336 F HA 0.597 5.092 4.527 -0.052 0.000 0.369 336 F C -2.413 173.380 175.800 -0.011 0.000 1.084 336 F CA -2.650 55.340 58.000 -0.017 0.000 1.096 336 F CB 1.203 40.201 39.000 -0.003 0.000 1.335 336 F HN 0.290 nan 8.300 nan 0.000 0.457 337 P HA -0.014 nan 4.420 nan 0.000 0.255 337 P C -1.958 175.385 177.300 0.072 0.000 1.173 337 P CA -0.588 62.546 63.100 0.057 0.000 0.780 337 P CB 0.364 32.084 31.700 0.034 0.000 0.758 338 P HA -0.209 nan 4.420 nan 0.000 0.217 338 P C 0.865 178.186 177.300 0.036 0.000 1.148 338 P CA 1.440 64.569 63.100 0.049 0.000 0.828 338 P CB -0.136 31.586 31.700 0.037 0.000 0.783 339 D N -1.780 118.637 120.400 0.030 0.000 2.363 339 D HA 0.023 4.631 4.640 -0.052 0.000 0.226 339 D C 1.435 177.750 176.300 0.026 0.000 1.020 339 D CA 0.843 54.857 54.000 0.023 0.000 0.892 339 D CB -1.250 39.560 40.800 0.016 0.000 0.900 339 D HN 0.193 nan 8.370 nan 0.000 0.531 340 G N 0.221 109.043 108.800 0.036 0.000 2.166 340 G HA2 -0.396 3.533 3.960 -0.052 0.000 0.260 340 G HA3 -0.396 3.533 3.960 -0.052 0.000 0.260 340 G C 1.257 176.177 174.900 0.034 0.000 0.986 340 G CA 1.229 46.352 45.100 0.037 0.000 0.683 340 G HN 0.657 nan 8.290 nan 0.000 0.527 341 S N -1.315 114.403 115.700 0.030 0.000 2.365 341 S HA 0.139 4.577 4.470 -0.052 0.000 0.225 341 S C 1.256 175.874 174.600 0.030 0.000 1.039 341 S CA 2.066 60.280 58.200 0.025 0.000 1.033 341 S CB -0.522 62.689 63.200 0.018 0.000 0.887 341 S HN 2.036 nan 8.310 nan 0.000 0.447 342 V N -3.296 116.641 119.914 0.039 0.000 3.040 342 V HA 0.576 4.665 4.120 -0.052 0.000 0.312 342 V C -2.463 173.676 176.094 0.075 0.000 1.115 342 V CA -2.192 60.137 62.300 0.049 0.000 0.998 342 V CB 1.259 33.105 31.823 0.040 0.000 1.042 342 V HN -0.082 nan 8.190 nan 0.000 0.433 343 P HA 0.191 nan 4.420 nan 0.000 0.216 343 P C 0.302 177.736 177.300 0.223 0.000 1.150 343 P CA 2.180 65.363 63.100 0.137 0.000 0.837 343 P CB 0.171 31.945 31.700 0.123 0.000 0.786 344 A N -2.079 120.823 122.820 0.136 0.000 2.586 344 A HA 0.646 4.935 4.320 -0.052 0.000 0.291 344 A C -1.952 175.592 177.584 -0.067 0.000 1.062 344 A CA -0.548 51.496 52.037 0.012 0.000 0.666 344 A CB 0.439 19.438 19.000 -0.002 0.000 1.281 344 A HN -0.053 nan 8.150 nan 0.000 0.421 345 L N 1.054 122.142 121.223 -0.225 0.000 2.386 345 L HA 0.574 4.882 4.340 -0.052 0.000 0.271 345 L C -1.145 175.532 176.870 -0.321 0.000 0.993 345 L CA -0.663 54.081 54.840 -0.159 0.000 0.819 345 L CB 2.277 44.264 42.059 -0.120 0.000 1.294 345 L HN 0.852 nan 8.230 nan 0.000 0.414 346 H N 1.299 120.312 119.070 -0.095 0.000 2.511 346 H HA 0.734 5.259 4.556 -0.052 0.000 0.328 346 H C 0.194 175.467 175.328 -0.091 0.000 1.044 346 H CA -0.091 55.901 56.048 -0.093 0.000 1.212 346 H CB 1.901 31.607 29.762 -0.093 0.000 1.428 346 H HN 0.753 nan 8.280 nan 0.000 0.483 347 G N 0.781 109.563 108.800 -0.030 0.000 2.793 347 G HA2 0.438 4.366 3.960 -0.052 0.000 0.248 347 G HA3 0.438 4.366 3.960 -0.052 0.000 0.248 347 G C -0.184 174.591 174.900 -0.209 0.000 1.198 347 G CA -0.296 44.749 45.100 -0.092 0.000 0.865 347 G HN 0.638 nan 8.290 nan 0.000 0.534 348 G N -0.000 108.555 108.800 -0.408 0.000 4.543 348 G HA2 0.286 4.214 3.960 -0.052 0.000 0.286 348 G HA3 0.286 4.214 3.960 -0.052 0.000 0.286 348 G C 0.274 174.570 174.900 -1.007 0.000 1.112 348 G CA -0.136 44.368 45.100 -0.992 0.000 0.870 348 G HN 0.264 nan 8.290 nan 0.000 0.540 349 N N 0.887 119.216 118.700 -0.619 0.000 2.609 349 N HA -0.043 4.665 4.740 -0.052 0.000 0.190 349 N C 1.426 176.777 175.510 -0.265 0.000 1.157 349 N CA 0.332 53.172 53.050 -0.350 0.000 0.918 349 N CB -0.165 38.208 38.487 -0.189 0.000 0.978 349 N HN 0.632 nan 8.380 nan 0.000 0.448 350 F N -1.478 118.456 119.950 -0.026 0.000 2.776 350 F HA 0.357 4.853 4.527 -0.053 0.000 0.300 350 F C 0.779 176.577 175.800 -0.004 0.000 1.116 350 F CA -0.846 57.145 58.000 -0.016 0.000 1.375 350 F CB -0.678 38.314 39.000 -0.013 0.000 1.109 350 F HN -0.164 nan 8.300 nan 0.000 0.585 351 M N 2.704 122.255 119.600 -0.082 0.000 2.350 351 M HA 0.378 4.827 4.480 -0.052 0.000 0.338 351 M C 0.906 177.245 176.300 0.064 0.000 1.559 351 M CA -0.507 54.838 55.300 0.075 0.000 1.217 351 M CB 0.303 32.867 32.600 -0.058 0.000 1.808 351 M HN 0.237 nan 8.290 nan 0.000 0.458 352 G N 3.525 112.384 108.800 0.100 0.000 3.574 352 G HA2 0.061 3.990 3.960 -0.052 0.000 0.262 352 G HA3 0.061 3.990 3.960 -0.052 0.000 0.262 352 G C 0.647 175.586 174.900 0.064 0.000 1.231 352 G CA -0.219 44.925 45.100 0.073 0.000 1.608 352 G HN 0.811 nan 8.290 nan 0.000 0.628 353 Q N 0.048 119.887 119.800 0.066 0.000 2.167 353 Q HA -0.093 4.215 4.340 -0.052 0.000 0.202 353 Q C 1.926 177.907 176.000 -0.031 0.000 0.970 353 Q CA 1.475 57.287 55.803 0.015 0.000 0.855 353 Q CB -0.117 28.613 28.738 -0.014 0.000 0.911 353 Q HN 0.715 nan 8.270 nan 0.000 0.438 354 H N -1.670 117.375 119.070 -0.041 0.000 2.321 354 H HA -0.064 4.460 4.556 -0.053 0.000 0.300 354 H C 1.833 177.077 175.328 -0.140 0.000 1.087 354 H CA 1.779 57.775 56.048 -0.086 0.000 1.319 354 H CB -0.091 29.608 29.762 -0.105 0.000 1.379 354 H HN 0.066 nan 8.280 nan 0.000 0.501 355 V N 0.533 120.452 119.914 0.007 0.000 2.427 355 V HA -0.239 3.850 4.120 -0.052 0.000 0.248 355 V C 2.509 178.589 176.094 -0.023 0.000 1.051 355 V CA 1.493 63.760 62.300 -0.056 0.000 1.048 355 V CB -0.954 30.851 31.823 -0.031 0.000 0.666 355 V HN 0.575 nan 8.190 nan 0.000 0.456 356 A N -0.111 122.711 122.820 0.003 0.000 1.877 356 A HA -0.152 4.136 4.320 -0.052 0.000 0.216 356 A C 2.204 179.800 177.584 0.020 0.000 1.186 356 A CA 1.783 53.832 52.037 0.020 0.000 0.620 356 A CB -0.505 18.510 19.000 0.026 0.000 0.822 356 A HN 0.493 nan 8.150 nan 0.000 0.443 357 L N -0.152 121.071 121.223 -0.000 0.000 2.093 357 L HA -0.134 4.175 4.340 -0.052 0.000 0.208 357 L C 2.943 179.848 176.870 0.059 0.000 1.085 357 L CA 1.743 56.610 54.840 0.044 0.000 0.755 357 L CB -0.807 41.287 42.059 0.059 0.000 0.904 357 L HN 0.658 nan 8.230 nan 0.000 0.435 358 T N -4.859 109.631 114.554 -0.106 0.000 2.904 358 T HA -0.067 4.252 4.350 -0.052 0.000 0.267 358 T C 2.010 176.781 174.700 0.118 0.000 1.059 358 T CA 1.118 63.109 62.100 -0.182 0.000 1.137 358 T CB -0.124 68.424 68.868 -0.533 0.000 0.879 358 T HN 0.103 nan 8.240 nan 0.000 0.467 359 S N 1.623 117.388 115.700 0.108 0.000 2.368 359 S HA -0.083 4.355 4.470 -0.052 0.000 0.224 359 S C 1.830 176.488 174.600 0.098 0.000 1.029 359 S CA 1.134 59.418 58.200 0.141 0.000 0.988 359 S CB -0.471 62.791 63.200 0.103 0.000 0.838 359 S HN 0.520 nan 8.310 nan 0.000 0.462 360 D N 1.631 122.083 120.400 0.087 0.000 2.144 360 D HA 0.033 4.642 4.640 -0.052 0.000 0.200 360 D C 2.113 178.466 176.300 0.089 0.000 0.978 360 D CA 1.108 55.154 54.000 0.077 0.000 0.833 360 D CB -0.384 40.456 40.800 0.067 0.000 0.961 360 D HN 0.369 nan 8.370 nan 0.000 0.470 361 A N 0.796 123.704 122.820 0.147 0.000 1.902 361 A HA -0.134 4.155 4.320 -0.052 0.000 0.217 361 A C 2.140 179.798 177.584 0.122 0.000 1.181 361 A CA 0.919 53.065 52.037 0.182 0.000 0.623 361 A CB -0.639 18.602 19.000 0.401 0.000 0.818 361 A HN 0.239 nan 8.150 nan 0.000 0.443 362 L N -0.286 121.001 121.223 0.107 0.000 2.093 362 L HA 0.008 4.317 4.340 -0.052 0.000 0.208 362 L C 2.614 179.473 176.870 -0.019 0.000 1.085 362 L CA 1.982 56.833 54.840 0.018 0.000 0.755 362 L CB -0.793 41.205 42.059 -0.102 0.000 0.904 362 L HN 0.335 nan 8.230 nan 0.000 0.435 363 A N -1.479 121.343 122.820 0.004 0.000 1.902 363 A HA -0.208 4.081 4.320 -0.052 0.000 0.217 363 A C 2.257 179.817 177.584 -0.041 0.000 1.181 363 A CA 2.317 54.348 52.037 -0.010 0.000 0.623 363 A CB -1.182 17.828 19.000 0.018 0.000 0.818 363 A HN 0.502 nan 8.150 nan 0.000 0.443 364 T N 0.239 114.778 114.554 -0.025 0.000 2.746 364 T HA 0.003 4.322 4.350 -0.052 0.000 0.267 364 T C 2.235 176.878 174.700 -0.095 0.000 1.039 364 T CA 1.543 63.616 62.100 -0.045 0.000 1.142 364 T CB -0.452 68.405 68.868 -0.019 0.000 0.866 364 T HN 0.599 nan 8.240 nan 0.000 0.444 365 A N 0.975 123.738 122.820 -0.094 0.000 1.933 365 A HA -0.048 4.241 4.320 -0.052 0.000 0.218 365 A C 2.576 179.984 177.584 -0.292 0.000 1.175 365 A CA 1.291 53.238 52.037 -0.150 0.000 0.628 365 A CB -1.008 17.938 19.000 -0.090 0.000 0.814 365 A HN 0.355 nan 8.150 nan 0.000 0.444 366 V N -0.236 119.495 119.914 -0.304 0.000 2.343 366 V HA -0.217 3.871 4.120 -0.052 0.000 0.247 366 V C 2.727 178.494 176.094 -0.545 0.000 1.051 366 V CA 2.441 64.417 62.300 -0.540 0.000 1.036 366 V CB -1.175 30.496 31.823 -0.253 0.000 0.654 366 V HN 0.618 nan 8.190 nan 0.000 0.451 367 T N -0.169 114.211 114.554 -0.289 0.000 2.821 367 T HA -0.137 4.182 4.350 -0.052 0.000 0.267 367 T C 1.941 176.503 174.700 -0.229 0.000 1.046 367 T CA 1.499 63.472 62.100 -0.212 0.000 1.139 367 T CB -0.154 68.647 68.868 -0.112 0.000 0.871 367 T HN 0.291 nan 8.240 nan 0.000 0.454 368 V N 1.217 120.992 119.914 -0.231 0.000 2.307 368 V HA -0.087 4.001 4.120 -0.052 0.000 0.245 368 V C 2.378 178.324 176.094 -0.247 0.000 1.045 368 V CA 1.291 63.474 62.300 -0.194 0.000 1.024 368 V CB -0.570 31.154 31.823 -0.165 0.000 0.651 368 V HN 0.316 nan 8.190 nan 0.000 0.449 369 L N 0.338 121.317 121.223 -0.408 0.000 2.141 369 L HA -0.012 4.297 4.340 -0.052 0.000 0.209 369 L C 2.513 179.153 176.870 -0.383 0.000 1.094 369 L CA 1.969 56.553 54.840 -0.427 0.000 0.763 369 L CB -1.136 40.527 42.059 -0.660 0.000 0.908 369 L HN 0.285 nan 8.230 nan 0.000 0.437 370 A N -0.646 121.834 122.820 -0.567 0.000 1.968 370 A HA -0.013 4.276 4.320 -0.052 0.000 0.217 370 A C 2.414 179.966 177.584 -0.054 0.000 1.169 370 A CA 1.355 53.243 52.037 -0.248 0.000 0.638 370 A CB -1.125 17.748 19.000 -0.212 0.000 0.812 370 A HN 0.410 nan 8.150 nan 0.000 0.446 371 G N -0.055 108.688 108.800 -0.096 0.000 2.408 371 G HA2 -0.114 3.815 3.960 -0.052 0.000 0.217 371 G HA3 -0.114 3.815 3.960 -0.052 0.000 0.217 371 G C 1.471 176.368 174.900 -0.005 0.000 1.150 371 G CA 1.148 46.225 45.100 -0.037 0.000 0.776 371 G HN 0.491 nan 8.290 nan 0.000 0.542 372 L N 1.450 122.665 121.223 -0.015 0.000 2.017 372 L HA 0.127 4.436 4.340 -0.052 0.000 0.208 372 L C 3.027 179.935 176.870 0.064 0.000 1.073 372 L CA 2.332 57.186 54.840 0.023 0.000 0.745 372 L CB -0.784 41.281 42.059 0.009 0.000 0.894 372 L HN 0.215 nan 8.230 nan 0.000 0.432 373 A N -0.889 121.992 122.820 0.102 0.000 1.902 373 A HA -0.236 4.052 4.320 -0.052 0.000 0.217 373 A C 2.332 179.970 177.584 0.091 0.000 1.181 373 A CA 1.753 53.869 52.037 0.133 0.000 0.623 373 A CB -0.792 18.347 19.000 0.231 0.000 0.818 373 A HN 0.603 nan 8.150 nan 0.000 0.443 374 E N -0.099 120.148 120.200 0.077 0.000 2.110 374 E HA -0.191 4.128 4.350 -0.052 0.000 0.193 374 E C 2.015 178.645 176.600 0.050 0.000 0.988 374 E CA 0.831 57.267 56.400 0.059 0.000 0.804 374 E CB -0.188 29.541 29.700 0.048 0.000 0.745 374 E HN 0.381 nan 8.360 nan 0.000 0.458 375 R N 0.272 120.800 120.500 0.046 0.000 2.148 375 R HA -0.013 4.296 4.340 -0.052 0.000 0.223 375 R C 2.333 178.660 176.300 0.046 0.000 1.088 375 R CA 0.705 56.830 56.100 0.042 0.000 0.985 375 R CB -0.295 30.028 30.300 0.038 0.000 0.880 375 R HN 0.398 nan 8.270 nan 0.000 0.451 376 Q N 0.037 119.870 119.800 0.055 0.000 2.123 376 Q HA -0.011 4.298 4.340 -0.052 0.000 0.199 376 Q C 2.172 178.194 176.000 0.037 0.000 0.966 376 Q CA 1.035 56.871 55.803 0.055 0.000 0.845 376 Q CB -0.050 28.731 28.738 0.071 0.000 0.907 376 Q HN 0.295 nan 8.270 nan 0.000 0.439 377 I N 0.756 121.347 120.570 0.036 0.000 2.226 377 I HA -0.256 3.883 4.170 -0.052 0.000 0.245 377 I C 2.428 178.567 176.117 0.038 0.000 1.100 377 I CA 0.937 62.251 61.300 0.023 0.000 1.374 377 I CB -0.401 37.617 38.000 0.029 0.000 1.057 377 I HN 0.145 nan 8.210 nan 0.000 0.413 378 A N 0.764 123.613 122.820 0.048 0.000 1.933 378 A HA -0.241 4.048 4.320 -0.052 0.000 0.218 378 A C 2.445 180.044 177.584 0.025 0.000 1.175 378 A CA 1.821 53.891 52.037 0.054 0.000 0.628 378 A CB -0.602 18.428 19.000 0.050 0.000 0.814 378 A HN 0.390 nan 8.150 nan 0.000 0.444 379 R N -0.991 119.518 120.500 0.016 0.000 2.075 379 R HA -0.012 4.297 4.340 -0.052 0.000 0.226 379 R C 1.985 178.274 176.300 -0.018 0.000 1.114 379 R CA 1.289 57.388 56.100 -0.001 0.000 0.972 379 R CB -0.350 29.957 30.300 0.012 0.000 0.869 379 R HN 0.395 nan 8.270 nan 0.000 0.437 380 L N 1.107 122.324 121.223 -0.011 0.000 2.131 380 L HA -0.090 4.219 4.340 -0.052 0.000 0.210 380 L C 1.967 178.808 176.870 -0.048 0.000 1.092 380 L CA 2.352 57.178 54.840 -0.025 0.000 0.759 380 L CB -0.415 41.630 42.059 -0.023 0.000 0.903 380 L HN 0.405 nan 8.230 nan 0.000 0.435 381 T N -4.297 110.229 114.554 -0.047 0.000 3.081 381 T HA 0.029 4.347 4.350 -0.052 0.000 0.250 381 T C 0.743 175.225 174.700 -0.365 0.000 1.100 381 T CA -0.151 61.887 62.100 -0.104 0.000 1.038 381 T CB -0.440 68.492 68.868 0.107 0.000 0.962 381 T HN 0.235 nan 8.240 nan 0.000 0.516 382 D N 2.631 122.892 120.400 -0.233 0.000 2.339 382 D HA 0.068 4.676 4.640 -0.052 0.000 0.241 382 D C 1.310 177.489 176.300 -0.202 0.000 1.183 382 D CA -0.265 53.581 54.000 -0.257 0.000 0.859 382 D CB 1.292 42.023 40.800 -0.115 0.000 1.067 382 D HN 0.617 nan 8.370 nan 0.000 0.484 383 E N 3.335 123.391 120.200 -0.240 0.000 2.265 383 E HA -0.197 4.122 4.350 -0.052 0.000 0.196 383 E C 1.050 177.602 176.600 -0.080 0.000 0.996 383 E CA 0.761 57.081 56.400 -0.134 0.000 0.832 383 E CB 0.082 29.717 29.700 -0.108 0.000 0.756 383 E HN 0.363 nan 8.360 nan 0.000 0.491 384 R N -0.010 120.444 120.500 -0.076 0.000 2.275 384 R HA 0.176 4.484 4.340 -0.052 0.000 0.199 384 R C 1.683 177.958 176.300 -0.041 0.000 0.989 384 R CA 0.518 56.590 56.100 -0.046 0.000 1.016 384 R CB 0.193 30.472 30.300 -0.036 0.000 0.918 384 R HN 0.279 nan 8.270 nan 0.000 0.473 385 L N -0.195 120.998 121.223 -0.051 0.000 2.840 385 L HA 0.115 4.423 4.340 -0.052 0.000 0.249 385 L C 0.596 177.444 176.870 -0.035 0.000 1.119 385 L CA -0.109 54.709 54.840 -0.038 0.000 0.930 385 L CB 0.180 42.219 42.059 -0.034 0.000 1.295 385 L HN 0.109 nan 8.230 nan 0.000 0.534 386 N N 0.966 119.638 118.700 -0.047 0.000 2.421 386 N HA -0.049 4.660 4.740 -0.052 0.000 0.201 386 N C 0.028 175.522 175.510 -0.028 0.000 1.198 386 N CA -0.244 52.783 53.050 -0.038 0.000 0.838 386 N CB -0.245 38.212 38.487 -0.051 0.000 1.011 386 N HN 0.073 nan 8.380 nan 0.000 0.463 387 R N -0.430 120.054 120.500 -0.026 0.000 3.188 387 R HA -0.177 4.132 4.340 -0.052 0.000 0.247 387 R C 0.802 177.091 176.300 -0.018 0.000 0.918 387 R CA 0.500 56.588 56.100 -0.020 0.000 0.629 387 R CB -2.039 28.251 30.300 -0.017 0.000 1.087 387 R HN 0.647 nan 8.270 nan 0.000 0.462 388 G N -0.961 107.828 108.800 -0.019 0.000 2.194 388 G HA2 -0.297 3.632 3.960 -0.052 0.000 0.236 388 G HA3 -0.297 3.632 3.960 -0.052 0.000 0.236 388 G C 0.259 175.149 174.900 -0.016 0.000 0.987 388 G CA 0.033 45.124 45.100 -0.015 0.000 0.635 388 G HN 0.269 nan 8.290 nan 0.000 0.520 389 L N 1.633 122.843 121.223 -0.021 0.000 2.418 389 L HA 0.427 4.735 4.340 -0.052 0.000 0.265 389 L C -1.652 175.204 176.870 -0.023 0.000 1.143 389 L CA -2.026 52.800 54.840 -0.022 0.000 0.809 389 L CB 0.673 42.719 42.059 -0.022 0.000 1.124 389 L HN -0.090 nan 8.230 nan 0.000 0.456 390 P HA 0.041 nan 4.420 nan 0.000 0.267 390 P C -2.462 174.865 177.300 0.046 0.000 1.200 390 P CA -0.885 62.215 63.100 0.001 0.000 0.772 390 P CB -0.160 31.441 31.700 -0.164 0.000 0.855 391 P HA -0.017 nan 4.420 nan 0.000 0.267 391 P C -0.251 177.091 177.300 0.069 0.000 1.209 391 P CA 0.348 63.391 63.100 -0.096 0.000 0.763 391 P CB -0.146 31.539 31.700 -0.025 0.000 0.816 392 F N 1.621 121.669 119.950 0.163 0.000 3.034 392 F HA -0.240 4.255 4.527 -0.053 0.000 0.286 392 F C 1.316 177.290 175.800 0.289 0.000 0.804 392 F CA 0.329 58.450 58.000 0.203 0.000 1.161 392 F CB -2.644 36.465 39.000 0.182 0.000 1.317 392 F HN 0.274 nan 8.300 nan 0.000 0.453 393 L N -1.595 119.792 121.223 0.273 0.000 3.781 393 L HA -0.318 3.991 4.340 -0.052 0.000 0.426 393 L C 1.324 178.338 176.870 0.239 0.000 1.197 393 L CA 1.056 56.033 54.840 0.228 0.000 0.907 393 L CB -1.992 40.226 42.059 0.264 0.000 1.812 393 L HN 0.688 nan 8.230 nan 0.000 0.956 394 H N 0.431 119.619 119.070 0.198 0.000 2.603 394 H HA 0.655 5.179 4.556 -0.053 0.000 0.370 394 H C 0.292 175.672 175.328 0.086 0.000 1.225 394 H CA -0.474 55.647 56.048 0.122 0.000 1.410 394 H CB 0.875 30.701 29.762 0.106 0.000 1.495 394 H HN 0.294 nan 8.280 nan 0.000 0.602 395 R N 0.012 120.490 120.500 -0.036 0.000 2.892 395 R HA 0.489 4.798 4.340 -0.052 0.000 0.265 395 R C -0.200 176.175 176.300 0.125 0.000 1.025 395 R CA -0.253 55.809 56.100 -0.064 0.000 0.982 395 R CB 1.989 32.285 30.300 -0.008 0.000 1.185 395 R HN 1.090 nan 8.270 nan 0.000 0.484 396 G N 1.254 110.109 108.800 0.092 0.000 2.760 396 G HA2 -0.185 3.744 3.960 -0.052 0.000 0.246 396 G HA3 -0.185 3.744 3.960 -0.052 0.000 0.246 396 G C -2.737 172.287 174.900 0.207 0.000 1.359 396 G CA -1.214 43.961 45.100 0.125 0.000 0.861 396 G HN 0.390 nan 8.290 nan 0.000 0.541 397 P HA 0.482 nan 4.420 nan 0.000 0.267 397 P C 0.344 177.672 177.300 0.047 0.000 1.205 397 P CA 0.739 63.903 63.100 0.107 0.000 0.765 397 P CB 0.874 32.602 31.700 0.048 0.000 0.828 398 A N 3.394 126.227 122.820 0.021 0.000 2.462 398 A HA 0.476 4.765 4.320 -0.052 0.000 0.243 398 A C 1.561 179.038 177.584 -0.179 0.000 1.076 398 A CA 0.873 52.726 52.037 -0.307 0.000 0.773 398 A CB -0.988 17.943 19.000 -0.116 0.000 1.010 398 A HN 0.811 nan 8.150 nan 0.000 0.493 399 G N 0.654 109.325 108.800 -0.215 0.000 3.079 399 G HA2 -0.292 3.636 3.960 -0.052 0.000 0.214 399 G HA3 -0.292 3.636 3.960 -0.052 0.000 0.214 399 G C 1.115 175.962 174.900 -0.088 0.000 1.335 399 G CA 0.467 45.505 45.100 -0.104 0.000 0.822 399 G HN 0.811 nan 8.290 nan 0.000 0.545 400 L N 0.960 122.140 121.223 -0.072 0.000 2.083 400 L HA 0.119 4.427 4.340 -0.052 0.000 0.209 400 L C 0.866 177.705 176.870 -0.052 0.000 1.083 400 L CA 1.053 55.866 54.840 -0.045 0.000 0.752 400 L CB -0.273 41.774 42.059 -0.021 0.000 0.899 400 L HN 0.319 nan 8.230 nan 0.000 0.433 401 N N -1.285 117.367 118.700 -0.080 0.000 2.321 401 N HA 0.203 4.911 4.740 -0.052 0.000 0.299 401 N C -0.097 175.339 175.510 -0.123 0.000 1.048 401 N CA -0.095 52.921 53.050 -0.056 0.000 0.836 401 N CB 2.065 40.585 38.487 0.056 0.000 1.269 401 N HN -0.184 nan 8.380 nan 0.000 0.486 402 S N 0.043 115.711 115.700 -0.053 0.000 2.603 402 S HA 0.258 4.696 4.470 -0.052 0.000 0.232 402 S C 1.244 175.886 174.600 0.070 0.000 1.016 402 S CA -0.043 58.136 58.200 -0.035 0.000 0.976 402 S CB 0.536 63.666 63.200 -0.117 0.000 0.921 402 S HN 0.924 nan 8.310 nan 0.000 0.516 403 G N 2.592 111.437 108.800 0.075 0.000 2.660 403 G HA2 -0.348 3.581 3.960 -0.052 0.000 0.321 403 G HA3 -0.348 3.581 3.960 -0.052 0.000 0.321 403 G C 0.205 175.030 174.900 -0.125 0.000 1.246 403 G CA 0.801 45.911 45.100 0.016 0.000 1.000 403 G HN 0.467 nan 8.290 nan 0.000 0.550 404 F N 1.423 121.458 119.950 0.143 0.000 2.676 404 F HA 0.437 4.938 4.527 -0.045 0.000 0.300 404 F C 2.388 178.210 175.800 0.037 0.000 1.160 404 F CA 0.925 58.981 58.000 0.093 0.000 1.401 404 F CB 0.079 39.151 39.000 0.119 0.000 1.037 404 F HN 0.340 nan 8.300 nan 0.000 0.522 405 M N -0.001 119.586 119.600 -0.023 0.000 2.202 405 M HA -0.119 4.329 4.480 -0.052 0.000 0.262 405 M C 2.302 178.465 176.300 -0.228 0.000 1.063 405 M CA 2.170 57.181 55.300 -0.482 0.000 1.097 405 M CB -0.371 31.683 32.600 -0.910 0.000 1.382 405 M HN 0.321 nan 8.290 nan 0.000 0.413 406 G N -0.813 107.919 108.800 -0.113 0.000 2.396 406 G HA2 -0.046 3.882 3.960 -0.052 0.000 0.214 406 G HA3 -0.046 3.882 3.960 -0.052 0.000 0.214 406 G C 1.472 176.376 174.900 0.007 0.000 1.166 406 G CA 0.642 45.704 45.100 -0.062 0.000 0.793 406 G HN 0.601 nan 8.290 nan 0.000 0.533 407 A N -0.014 122.849 122.820 0.072 0.000 1.972 407 A HA -0.065 4.223 4.320 -0.052 0.000 0.219 407 A C 2.248 179.895 177.584 0.106 0.000 1.169 407 A CA 1.942 54.050 52.037 0.117 0.000 0.635 407 A CB -0.361 18.785 19.000 0.244 0.000 0.810 407 A HN 0.374 nan 8.150 nan 0.000 0.446 408 Q N 0.074 119.949 119.800 0.125 0.000 2.119 408 Q HA -0.105 4.204 4.340 -0.052 0.000 0.201 408 Q C 2.024 178.071 176.000 0.077 0.000 0.972 408 Q CA 1.907 57.784 55.803 0.122 0.000 0.847 408 Q CB -0.220 28.643 28.738 0.209 0.000 0.903 408 Q HN 0.432 nan 8.270 nan 0.000 0.433 409 V N 0.430 120.369 119.914 0.042 0.000 2.548 409 V HA -0.172 3.917 4.120 -0.052 0.000 0.249 409 V C 2.286 178.396 176.094 0.027 0.000 1.055 409 V CA 1.904 64.219 62.300 0.025 0.000 1.065 409 V CB -0.662 31.157 31.823 -0.006 0.000 0.681 409 V HN 0.353 nan 8.190 nan 0.000 0.462 410 T N 0.453 115.024 114.554 0.028 0.000 2.788 410 T HA -0.136 4.183 4.350 -0.052 0.000 0.268 410 T C 2.085 176.806 174.700 0.034 0.000 1.044 410 T CA 1.535 63.651 62.100 0.027 0.000 1.139 410 T CB -0.329 68.555 68.868 0.028 0.000 0.867 410 T HN 0.565 nan 8.240 nan 0.000 0.454 411 A N 1.297 124.142 122.820 0.043 0.000 1.902 411 A HA -0.139 4.150 4.320 -0.052 0.000 0.217 411 A C 2.541 180.151 177.584 0.044 0.000 1.181 411 A CA 2.135 54.199 52.037 0.045 0.000 0.623 411 A CB -1.216 17.814 19.000 0.051 0.000 0.818 411 A HN 0.481 nan 8.150 nan 0.000 0.443 412 T N 0.268 114.847 114.554 0.042 0.000 2.821 412 T HA 0.017 4.335 4.350 -0.052 0.000 0.267 412 T C 2.198 176.915 174.700 0.028 0.000 1.046 412 T CA 1.461 63.583 62.100 0.035 0.000 1.139 412 T CB -0.419 68.471 68.868 0.036 0.000 0.871 412 T HN 0.596 nan 8.240 nan 0.000 0.454 413 A N 1.301 124.136 122.820 0.026 0.000 1.902 413 A HA 0.040 4.328 4.320 -0.052 0.000 0.217 413 A C 2.299 179.896 177.584 0.023 0.000 1.181 413 A CA 1.095 53.145 52.037 0.021 0.000 0.623 413 A CB -0.806 18.205 19.000 0.017 0.000 0.818 413 A HN 0.468 nan 8.150 nan 0.000 0.443 414 L N -1.136 120.104 121.223 0.029 0.000 2.046 414 L HA -0.164 4.145 4.340 -0.052 0.000 0.208 414 L C 2.570 179.460 176.870 0.034 0.000 1.077 414 L CA 1.201 56.062 54.840 0.034 0.000 0.747 414 L CB -0.550 41.534 42.059 0.043 0.000 0.896 414 L HN 0.473 nan 8.230 nan 0.000 0.432 415 L N 0.307 121.549 121.223 0.032 0.000 2.017 415 L HA -0.127 4.182 4.340 -0.052 0.000 0.208 415 L C 2.649 179.527 176.870 0.013 0.000 1.073 415 L CA 1.985 56.838 54.840 0.022 0.000 0.745 415 L CB -0.692 41.379 42.059 0.021 0.000 0.894 415 L HN 0.133 nan 8.230 nan 0.000 0.432 416 A N -0.904 121.925 122.820 0.014 0.000 1.940 416 A HA -0.282 4.007 4.320 -0.052 0.000 0.219 416 A C 2.334 179.924 177.584 0.011 0.000 1.176 416 A CA 1.900 53.944 52.037 0.011 0.000 0.631 416 A CB -0.728 18.279 19.000 0.012 0.000 0.814 416 A HN 0.644 nan 8.150 nan 0.000 0.446 417 E N -0.684 119.524 120.200 0.014 0.000 2.106 417 E HA -0.153 4.165 4.350 -0.052 0.000 0.192 417 E C 2.030 178.638 176.600 0.014 0.000 0.984 417 E CA 1.132 57.541 56.400 0.015 0.000 0.806 417 E CB -0.185 29.525 29.700 0.018 0.000 0.750 417 E HN 0.683 nan 8.360 nan 0.000 0.458 418 M N -0.004 119.605 119.600 0.015 0.000 2.108 418 M HA -0.160 4.288 4.480 -0.052 0.000 0.261 418 M C 2.293 178.595 176.300 0.003 0.000 1.066 418 M CA 1.523 56.829 55.300 0.011 0.000 1.107 418 M CB -0.193 32.409 32.600 0.004 0.000 1.356 418 M HN 0.005 nan 8.290 nan 0.000 0.406 419 R N 0.183 120.683 120.500 -0.000 0.000 2.189 419 R HA -0.028 4.281 4.340 -0.052 0.000 0.223 419 R C 2.172 178.475 176.300 0.005 0.000 1.092 419 R CA 1.117 57.216 56.100 -0.002 0.000 0.989 419 R CB -0.446 29.852 30.300 -0.004 0.000 0.876 419 R HN 0.370 nan 8.270 nan 0.000 0.457 420 A N 0.521 123.346 122.820 0.008 0.000 2.119 420 A HA -0.019 4.269 4.320 -0.052 0.000 0.217 420 A C 0.711 178.304 177.584 0.015 0.000 1.153 420 A CA 0.842 52.885 52.037 0.011 0.000 0.692 420 A CB 0.131 19.136 19.000 0.009 0.000 0.799 420 A HN 0.089 nan 8.150 nan 0.000 0.458 421 T N 0.091 114.655 114.554 0.017 0.000 2.771 421 T HA 0.549 4.868 4.350 -0.052 0.000 0.281 421 T C 0.489 175.210 174.700 0.034 0.000 0.982 421 T CA 0.053 62.169 62.100 0.025 0.000 0.978 421 T CB 1.513 70.396 68.868 0.024 0.000 0.930 421 T HN 0.357 nan 8.240 nan 0.000 0.447 422 G N 3.169 112.003 108.800 0.056 0.000 2.702 422 G HA2 0.655 4.584 3.960 -0.052 0.000 0.254 422 G HA3 0.655 4.584 3.960 -0.052 0.000 0.254 422 G C -2.614 172.335 174.900 0.081 0.000 1.380 422 G CA -1.536 43.603 45.100 0.064 0.000 1.042 422 G HN 0.435 nan 8.290 nan 0.000 0.557 423 P HA 0.280 nan 4.420 nan 0.000 0.268 423 P C 0.287 177.652 177.300 0.108 0.000 1.205 423 P CA 0.288 63.425 63.100 0.061 0.000 0.771 423 P CB 1.410 33.121 31.700 0.019 0.000 0.858 424 A N 2.025 124.910 122.820 0.108 0.000 2.030 424 A HA -0.035 4.253 4.320 -0.052 0.000 0.215 424 A C 2.060 179.717 177.584 0.121 0.000 1.164 424 A CA 0.995 53.135 52.037 0.172 0.000 0.697 424 A CB -0.958 18.112 19.000 0.116 0.000 0.827 424 A HN 0.470 nan 8.150 nan 0.000 0.457 425 S N 0.601 116.325 115.700 0.040 0.000 2.400 425 S HA -0.174 4.265 4.470 -0.052 0.000 0.232 425 S C 1.707 176.271 174.600 -0.060 0.000 1.025 425 S CA 1.546 59.748 58.200 0.004 0.000 0.993 425 S CB -0.665 62.537 63.200 0.004 0.000 0.808 425 S HN 0.792 nan 8.310 nan 0.000 0.478 426 I N -1.201 119.258 120.570 -0.186 0.000 3.334 426 I HA 0.031 4.169 4.170 -0.052 0.000 0.282 426 I C 0.630 176.516 176.117 -0.384 0.000 1.313 426 I CA 1.022 62.145 61.300 -0.294 0.000 1.396 426 I CB -0.388 37.391 38.000 -0.369 0.000 1.054 426 I HN 0.174 nan 8.210 nan 0.000 0.495 427 H N 1.327 120.408 119.070 0.019 0.000 2.550 427 H HA 0.319 4.843 4.556 -0.053 0.000 0.304 427 H C 0.612 175.952 175.328 0.021 0.000 1.086 427 H CA -0.236 55.823 56.048 0.018 0.000 1.089 427 H CB 0.066 29.839 29.762 0.018 0.000 1.528 427 H HN 0.290 nan 8.280 nan 0.000 0.539 428 S N 1.183 116.926 115.700 0.071 0.000 2.549 428 S HA 0.220 4.658 4.470 -0.052 0.000 0.286 428 S C 0.282 174.920 174.600 0.064 0.000 1.314 428 S CA -0.208 58.029 58.200 0.063 0.000 1.062 428 S CB 0.061 63.283 63.200 0.038 0.000 0.865 428 S HN 0.314 nan 8.310 nan 0.000 0.498 429 I N 3.245 123.851 120.570 0.060 0.000 2.534 429 I HA 0.204 4.343 4.170 -0.052 0.000 0.288 429 I C 0.010 176.154 176.117 0.044 0.000 1.077 429 I CA -0.591 60.740 61.300 0.051 0.000 1.051 429 I CB 2.122 40.153 38.000 0.052 0.000 1.234 429 I HN 0.579 nan 8.210 nan 0.000 0.425 430 S N 3.986 119.709 115.700 0.038 0.000 2.544 430 S HA 0.231 4.669 4.470 -0.052 0.000 0.290 430 S C -0.182 174.439 174.600 0.035 0.000 1.276 430 S CA 0.505 58.726 58.200 0.036 0.000 1.075 430 S CB 0.237 63.455 63.200 0.030 0.000 0.849 430 S HN 0.763 nan 8.310 nan 0.000 0.494 431 T N 3.177 117.753 114.554 0.037 0.000 2.696 431 T HA 0.421 4.740 4.350 -0.052 0.000 0.291 431 T C -0.335 174.386 174.700 0.036 0.000 1.095 431 T CA -0.137 61.985 62.100 0.035 0.000 1.026 431 T CB 0.829 69.719 68.868 0.038 0.000 1.390 431 T HN 0.906 nan 8.240 nan 0.000 0.513 432 N N 0.610 119.332 118.700 0.036 0.000 2.727 432 N HA -0.218 4.490 4.740 -0.052 0.000 0.251 432 N C 0.259 175.789 175.510 0.032 0.000 1.040 432 N CA 0.736 53.808 53.050 0.038 0.000 0.712 432 N CB -1.147 37.368 38.487 0.045 0.000 0.912 432 N HN 1.503 nan 8.380 nan 0.000 0.545 433 A N -0.678 122.157 122.820 0.025 0.000 2.822 433 A HA 0.007 4.296 4.320 -0.052 0.000 0.287 433 A C 1.310 178.908 177.584 0.024 0.000 1.479 433 A CA 2.039 54.089 52.037 0.021 0.000 0.779 433 A CB -2.280 16.731 19.000 0.017 0.000 1.022 433 A HN 2.231 nan 8.150 nan 0.000 0.532 434 A N -2.400 120.436 122.820 0.027 0.000 3.396 434 A HA -0.352 3.937 4.320 -0.052 0.000 0.267 434 A C 1.357 178.961 177.584 0.033 0.000 1.139 434 A CA 2.021 54.075 52.037 0.028 0.000 1.115 434 A CB -2.514 16.500 19.000 0.023 0.000 1.133 434 A HN 2.189 nan 8.150 nan 0.000 0.920 435 N N -0.078 118.644 118.700 0.037 0.000 2.216 435 N HA -0.078 4.631 4.740 -0.052 0.000 0.183 435 N C 0.983 176.523 175.510 0.049 0.000 1.017 435 N CA 1.817 54.892 53.050 0.042 0.000 0.861 435 N CB -0.132 38.383 38.487 0.048 0.000 0.986 435 N HN 0.751 nan 8.380 nan 0.000 0.428 436 Q N 0.502 120.331 119.800 0.048 0.000 3.008 436 Q HA 0.072 4.380 4.340 -0.052 0.000 0.307 436 Q C -0.452 175.580 176.000 0.053 0.000 1.273 436 Q CA -0.307 55.531 55.803 0.058 0.000 1.091 436 Q CB 0.592 29.359 28.738 0.049 0.000 1.393 436 Q HN 0.491 nan 8.270 nan 0.000 0.521 437 D N -0.485 119.944 120.400 0.050 0.000 2.348 437 D HA -0.071 4.538 4.640 -0.052 0.000 0.216 437 D C 0.639 176.964 176.300 0.042 0.000 0.970 437 D CA 0.390 54.415 54.000 0.041 0.000 0.889 437 D CB 0.129 40.949 40.800 0.034 0.000 0.912 437 D HN 0.198 nan 8.370 nan 0.000 0.524 438 V N -1.762 118.183 119.914 0.051 0.000 2.733 438 V HA 0.746 4.835 4.120 -0.052 0.000 0.306 438 V C -0.448 175.685 176.094 0.066 0.000 1.084 438 V CA -1.196 61.134 62.300 0.049 0.000 0.905 438 V CB 1.850 33.697 31.823 0.040 0.000 1.010 438 V HN 0.100 nan 8.190 nan 0.000 0.424 439 V N 1.036 120.988 119.914 0.062 0.000 3.007 439 V HA 0.787 4.876 4.120 -0.052 0.000 0.311 439 V C 1.035 177.167 176.094 0.064 0.000 1.120 439 V CA 0.275 62.619 62.300 0.074 0.000 0.980 439 V CB 1.484 33.348 31.823 0.068 0.000 1.033 439 V HN 1.334 nan 8.190 nan 0.000 0.429 440 S N 2.465 118.208 115.700 0.071 0.000 2.425 440 S HA 0.107 4.546 4.470 -0.052 0.000 0.225 440 S C 1.130 175.763 174.600 0.055 0.000 1.024 440 S CA 1.060 59.294 58.200 0.057 0.000 0.951 440 S CB -0.865 62.371 63.200 0.060 0.000 0.796 440 S HN 1.402 nan 8.310 nan 0.000 0.498 441 L N 0.362 121.621 121.223 0.061 0.000 4.040 441 L HA -0.198 4.111 4.340 -0.052 0.000 0.410 441 L C 1.491 178.394 176.870 0.056 0.000 1.187 441 L CA 0.030 54.907 54.840 0.062 0.000 0.956 441 L CB -2.306 39.799 42.059 0.076 0.000 2.022 441 L HN 0.529 nan 8.230 nan 0.000 0.897 442 G N -0.375 108.456 108.800 0.052 0.000 2.432 442 G HA2 -0.192 3.737 3.960 -0.052 0.000 0.219 442 G HA3 -0.192 3.737 3.960 -0.052 0.000 0.219 442 G C 1.287 176.213 174.900 0.045 0.000 1.135 442 G CA 1.348 46.476 45.100 0.046 0.000 0.767 442 G HN 0.482 nan 8.290 nan 0.000 0.550 443 T N 1.294 115.873 114.554 0.042 0.000 2.777 443 T HA -0.016 4.302 4.350 -0.052 0.000 0.266 443 T C 2.373 177.097 174.700 0.039 0.000 1.040 443 T CA 0.917 63.039 62.100 0.037 0.000 1.141 443 T CB -0.114 68.772 68.868 0.030 0.000 0.868 443 T HN 0.275 nan 8.240 nan 0.000 0.444 444 I N 1.682 122.278 120.570 0.043 0.000 2.252 444 I HA -0.139 3.999 4.170 -0.052 0.000 0.245 444 I C 3.043 179.191 176.117 0.051 0.000 1.102 444 I CA 1.076 62.402 61.300 0.044 0.000 1.385 444 I CB -0.561 37.468 38.000 0.048 0.000 1.064 444 I HN 0.209 nan 8.210 nan 0.000 0.414 445 A N 0.835 123.689 122.820 0.057 0.000 1.908 445 A HA -0.208 4.081 4.320 -0.052 0.000 0.218 445 A C 2.528 180.149 177.584 0.062 0.000 1.181 445 A CA 2.065 54.139 52.037 0.061 0.000 0.627 445 A CB -0.859 18.177 19.000 0.060 0.000 0.818 445 A HN 0.446 nan 8.150 nan 0.000 0.445 446 A N -0.540 122.317 122.820 0.062 0.000 1.930 446 A HA -0.106 4.183 4.320 -0.052 0.000 0.217 446 A C 2.243 179.865 177.584 0.063 0.000 1.175 446 A CA 1.404 53.483 52.037 0.071 0.000 0.627 446 A CB -0.394 18.647 19.000 0.068 0.000 0.815 446 A HN 0.549 nan 8.150 nan 0.000 0.443 447 R N -0.526 120.006 120.500 0.052 0.000 2.092 447 R HA 0.043 4.351 4.340 -0.052 0.000 0.231 447 R C 1.994 178.322 176.300 0.048 0.000 1.119 447 R CA 1.239 57.368 56.100 0.047 0.000 0.970 447 R CB -0.431 29.891 30.300 0.036 0.000 0.864 447 R HN 0.486 nan 8.270 nan 0.000 0.440 448 L N -0.211 121.040 121.223 0.047 0.000 2.056 448 L HA -0.231 4.077 4.340 -0.052 0.000 0.207 448 L C 2.756 179.655 176.870 0.048 0.000 1.078 448 L CA 0.859 55.726 54.840 0.045 0.000 0.749 448 L CB -0.547 41.540 42.059 0.046 0.000 0.901 448 L HN 0.380 nan 8.230 nan 0.000 0.433 449 C N 0.358 119.689 119.300 0.052 0.000 2.425 449 C HA -0.173 4.256 4.460 -0.052 0.000 0.277 449 C C 3.105 178.133 174.990 0.063 0.000 1.280 449 C CA 0.994 60.042 59.018 0.050 0.000 1.744 449 C CB -0.597 27.173 27.740 0.049 0.000 1.989 449 C HN 0.487 nan 8.230 nan 0.000 0.491 450 R N 1.248 121.788 120.500 0.068 0.000 2.081 450 R HA -0.068 4.240 4.340 -0.052 0.000 0.235 450 R C 2.102 178.449 176.300 0.078 0.000 1.131 450 R CA 1.952 58.099 56.100 0.078 0.000 0.960 450 R CB -0.825 29.519 30.300 0.073 0.000 0.856 450 R HN 0.530 nan 8.270 nan 0.000 0.436 451 E N 0.718 120.956 120.200 0.064 0.000 2.110 451 E HA -0.164 4.154 4.350 -0.052 0.000 0.193 451 E C 1.813 178.456 176.600 0.071 0.000 0.988 451 E CA 1.256 57.692 56.400 0.060 0.000 0.804 451 E CB -0.080 29.647 29.700 0.046 0.000 0.745 451 E HN 0.435 nan 8.360 nan 0.000 0.458 452 K N 0.311 120.753 120.400 0.071 0.000 2.097 452 K HA -0.017 4.272 4.320 -0.052 0.000 0.205 452 K C 2.295 178.982 176.600 0.145 0.000 1.050 452 K CA 0.733 57.066 56.287 0.077 0.000 0.938 452 K CB -0.104 32.420 32.500 0.040 0.000 0.718 452 K HN 0.087 nan 8.250 nan 0.000 0.442 453 I N 1.516 122.185 120.570 0.165 0.000 2.286 453 I HA -0.275 3.864 4.170 -0.052 0.000 0.248 453 I C 1.540 177.775 176.117 0.197 0.000 1.115 453 I CA 1.146 62.598 61.300 0.254 0.000 1.392 453 I CB -0.214 37.905 38.000 0.197 0.000 1.065 453 I HN 0.140 nan 8.210 nan 0.000 0.418 454 D N 0.504 120.980 120.400 0.126 0.000 2.144 454 D HA -0.117 4.492 4.640 -0.052 0.000 0.200 454 D C 2.322 178.675 176.300 0.088 0.000 0.978 454 D CA 0.851 54.901 54.000 0.084 0.000 0.833 454 D CB -0.179 40.660 40.800 0.065 0.000 0.961 454 D HN 0.183 nan 8.370 nan 0.000 0.470 455 R N -0.069 120.500 120.500 0.115 0.000 2.073 455 R HA -0.099 4.210 4.340 -0.052 0.000 0.229 455 R C 2.104 178.511 176.300 0.179 0.000 1.120 455 R CA 0.409 56.576 56.100 0.112 0.000 0.967 455 R CB -1.043 29.313 30.300 0.094 0.000 0.862 455 R HN 0.333 nan 8.270 nan 0.000 0.436 456 W N 1.926 123.225 121.300 -0.003 0.000 2.358 456 W HA -0.088 4.522 4.660 -0.082 0.000 0.303 456 W C 2.054 178.561 176.519 -0.019 0.000 1.208 456 W CA 1.413 58.756 57.345 -0.004 0.000 1.274 456 W CB -0.607 28.857 29.460 0.008 0.000 1.138 456 W HN 0.134 nan 8.180 nan 0.000 0.515 457 A N 0.078 122.901 122.820 0.005 0.000 1.933 457 A HA -0.212 4.077 4.320 -0.052 0.000 0.218 457 A C 1.866 179.365 177.584 -0.143 0.000 1.175 457 A CA 1.921 53.845 52.037 -0.188 0.000 0.628 457 A CB -0.697 18.217 19.000 -0.142 0.000 0.814 457 A HN 0.459 nan 8.150 nan 0.000 0.444 458 E N -0.391 119.782 120.200 -0.044 0.000 2.107 458 E HA -0.064 4.255 4.350 -0.052 0.000 0.191 458 E C 1.825 178.408 176.600 -0.029 0.000 0.982 458 E CA 0.989 57.364 56.400 -0.041 0.000 0.809 458 E CB -0.215 29.484 29.700 -0.001 0.000 0.756 458 E HN 0.689 nan 8.360 nan 0.000 0.459 459 I N 0.903 121.492 120.570 0.032 0.000 2.252 459 I HA -0.268 3.871 4.170 -0.052 0.000 0.245 459 I C 2.226 178.352 176.117 0.014 0.000 1.102 459 I CA 0.968 62.303 61.300 0.058 0.000 1.385 459 I CB -0.142 37.945 38.000 0.146 0.000 1.064 459 I HN 0.117 nan 8.210 nan 0.000 0.414 460 L N 0.441 121.647 121.223 -0.029 0.000 2.083 460 L HA -0.198 4.110 4.340 -0.052 0.000 0.209 460 L C 2.829 179.590 176.870 -0.182 0.000 1.083 460 L CA 1.216 55.992 54.840 -0.106 0.000 0.752 460 L CB -0.665 41.241 42.059 -0.255 0.000 0.899 460 L HN 0.247 nan 8.230 nan 0.000 0.433 461 A N 0.368 123.052 122.820 -0.227 0.000 1.902 461 A HA -0.184 4.105 4.320 -0.052 0.000 0.217 461 A C 2.198 179.659 177.584 -0.206 0.000 1.181 461 A CA 1.508 53.377 52.037 -0.279 0.000 0.623 461 A CB -0.614 18.229 19.000 -0.261 0.000 0.818 461 A HN 0.349 nan 8.150 nan 0.000 0.443 462 I N -0.868 119.627 120.570 -0.124 0.000 2.179 462 I HA -0.236 3.902 4.170 -0.052 0.000 0.242 462 I C 2.434 178.468 176.117 -0.138 0.000 1.088 462 I CA 1.276 62.523 61.300 -0.088 0.000 1.357 462 I CB -0.327 37.660 38.000 -0.023 0.000 1.051 462 I HN 0.392 nan 8.210 nan 0.000 0.409 463 L N 1.284 122.448 121.223 -0.099 0.000 2.042 463 L HA -0.182 4.127 4.340 -0.052 0.000 0.210 463 L C 2.560 179.363 176.870 -0.112 0.000 1.076 463 L CA 2.178 56.965 54.840 -0.088 0.000 0.749 463 L CB -0.839 41.211 42.059 -0.014 0.000 0.893 463 L HN 0.203 nan 8.230 nan 0.000 0.432 464 A N -0.529 122.224 122.820 -0.111 0.000 1.877 464 A HA -0.180 4.108 4.320 -0.052 0.000 0.216 464 A C 2.269 179.779 177.584 -0.124 0.000 1.186 464 A CA 2.057 54.043 52.037 -0.085 0.000 0.620 464 A CB -0.920 17.991 19.000 -0.149 0.000 0.822 464 A HN 0.512 nan 8.150 nan 0.000 0.443 465 L N -0.891 120.217 121.223 -0.192 0.000 2.046 465 L HA -0.244 4.064 4.340 -0.052 0.000 0.208 465 L C 2.755 179.421 176.870 -0.340 0.000 1.077 465 L CA 1.285 56.029 54.840 -0.160 0.000 0.747 465 L CB -0.773 41.255 42.059 -0.051 0.000 0.896 465 L HN 0.489 nan 8.230 nan 0.000 0.432 466 C N -0.112 118.826 119.300 -0.603 0.000 2.429 466 C HA -0.153 4.276 4.460 -0.052 0.000 0.277 466 C C 2.766 177.560 174.990 -0.327 0.000 1.262 466 C CA 0.555 59.100 59.018 -0.788 0.000 1.733 466 C CB -0.789 26.609 27.740 -0.571 0.000 2.010 466 C HN 0.432 nan 8.230 nan 0.000 0.483 467 L N 0.826 121.945 121.223 -0.174 0.000 2.093 467 L HA -0.113 4.195 4.340 -0.052 0.000 0.208 467 L C 2.849 179.708 176.870 -0.019 0.000 1.085 467 L CA 1.395 56.198 54.840 -0.061 0.000 0.755 467 L CB -0.680 41.375 42.059 -0.007 0.000 0.904 467 L HN 0.334 nan 8.230 nan 0.000 0.435 468 A N -0.289 122.525 122.820 -0.010 0.000 1.902 468 A HA -0.286 4.003 4.320 -0.052 0.000 0.217 468 A C 2.211 179.828 177.584 0.055 0.000 1.181 468 A CA 1.926 53.988 52.037 0.042 0.000 0.623 468 A CB -0.493 18.549 19.000 0.069 0.000 0.818 468 A HN 0.415 nan 8.150 nan 0.000 0.443 469 Q N -0.309 119.526 119.800 0.059 0.000 2.046 469 Q HA -0.009 4.300 4.340 -0.052 0.000 0.200 469 Q C 2.086 178.124 176.000 0.063 0.000 0.975 469 Q CA 2.104 57.977 55.803 0.117 0.000 0.836 469 Q CB -0.523 28.381 28.738 0.277 0.000 0.896 469 Q HN 0.538 nan 8.270 nan 0.000 0.428 470 A N 0.524 123.353 122.820 0.015 0.000 1.908 470 A HA -0.123 4.166 4.320 -0.052 0.000 0.218 470 A C 2.317 179.910 177.584 0.016 0.000 1.181 470 A CA 1.924 53.966 52.037 0.008 0.000 0.627 470 A CB -1.309 17.680 19.000 -0.018 0.000 0.818 470 A HN 0.562 nan 8.150 nan 0.000 0.445 471 A N -0.016 122.817 122.820 0.022 0.000 1.865 471 A HA -0.220 4.068 4.320 -0.052 0.000 0.217 471 A C 1.916 179.517 177.584 0.029 0.000 1.191 471 A CA 1.770 53.823 52.037 0.028 0.000 0.623 471 A CB -0.645 18.377 19.000 0.036 0.000 0.826 471 A HN 0.653 nan 8.150 nan 0.000 0.444 472 E N -0.290 119.931 120.200 0.036 0.000 2.150 472 E HA -0.109 4.209 4.350 -0.052 0.000 0.193 472 E C 1.927 178.542 176.600 0.025 0.000 0.985 472 E CA 0.968 57.388 56.400 0.034 0.000 0.814 472 E CB -0.270 29.457 29.700 0.045 0.000 0.752 472 E HN 0.623 nan 8.360 nan 0.000 0.466 473 L N 0.354 121.591 121.223 0.023 0.000 2.109 473 L HA -0.134 4.175 4.340 -0.052 0.000 0.207 473 L C 2.630 179.503 176.870 0.005 0.000 1.086 473 L CA 0.866 55.711 54.840 0.009 0.000 0.760 473 L CB -0.129 41.933 42.059 0.004 0.000 0.910 473 L HN 0.016 nan 8.230 nan 0.000 0.437 474 R N -0.175 120.330 120.500 0.008 0.000 2.062 474 R HA -0.044 4.265 4.340 -0.052 0.000 0.226 474 R C 1.830 178.136 176.300 0.009 0.000 1.125 474 R CA 1.675 57.779 56.100 0.006 0.000 0.966 474 R CB -0.456 29.849 30.300 0.008 0.000 0.861 474 R HN 0.337 nan 8.270 nan 0.000 0.433 475 C N 0.458 119.766 119.300 0.014 0.000 2.974 475 C HA 0.642 5.071 4.460 -0.052 0.000 0.282 475 C C 0.664 175.663 174.990 0.015 0.000 1.292 475 C CA -0.339 58.688 59.018 0.015 0.000 1.710 475 C CB -0.927 26.824 27.740 0.018 0.000 2.036 475 C HN 0.756 nan 8.230 nan 0.000 0.629 476 G N 1.689 110.498 108.800 0.015 0.000 2.781 476 G HA2 -0.162 3.767 3.960 -0.052 0.000 0.683 476 G HA3 -0.162 3.767 3.960 -0.052 0.000 0.683 476 G C 0.706 175.618 174.900 0.020 0.000 1.390 476 G CA 0.041 45.150 45.100 0.016 0.000 0.850 476 G HN 0.795 nan 8.290 nan 0.000 0.557 477 S N -0.715 114.998 115.700 0.021 0.000 2.442 477 S HA 0.067 4.506 4.470 -0.052 0.000 0.236 477 S C 2.340 176.954 174.600 0.024 0.000 1.007 477 S CA 1.809 60.024 58.200 0.025 0.000 0.965 477 S CB -0.107 63.106 63.200 0.023 0.000 0.773 477 S HN 2.130 nan 8.310 nan 0.000 0.504 478 G N 0.791 109.603 108.800 0.020 0.000 2.813 478 G HA2 0.349 4.278 3.960 -0.052 0.000 0.209 478 G HA3 0.349 4.278 3.960 -0.052 0.000 0.209 478 G C 0.555 175.468 174.900 0.021 0.000 1.150 478 G CA -0.083 45.029 45.100 0.019 0.000 0.785 478 G HN 0.594 nan 8.290 nan 0.000 0.535 479 L N 0.977 122.214 121.223 0.022 0.000 3.597 479 L HA -0.142 4.166 4.340 -0.052 0.000 0.440 479 L C -0.889 175.994 176.870 0.021 0.000 1.277 479 L CA -0.124 54.730 54.840 0.024 0.000 0.852 479 L CB -1.734 40.341 42.059 0.028 0.000 1.708 479 L HN 0.224 nan 8.230 nan 0.000 0.885 480 D N 1.283 121.694 120.400 0.018 0.000 2.450 480 D HA 0.288 4.897 4.640 -0.052 0.000 0.247 480 D C 1.361 177.671 176.300 0.016 0.000 1.162 480 D CA 1.386 55.395 54.000 0.016 0.000 0.879 480 D CB 1.332 42.140 40.800 0.013 0.000 1.163 480 D HN 0.534 nan 8.370 nan 0.000 0.472 481 G N 1.471 110.280 108.800 0.016 0.000 2.225 481 G HA2 -0.282 3.647 3.960 -0.052 0.000 0.254 481 G HA3 -0.282 3.647 3.960 -0.052 0.000 0.254 481 G C 0.440 175.352 174.900 0.020 0.000 0.988 481 G CA 0.052 45.162 45.100 0.017 0.000 0.625 481 G HN 0.517 nan 8.290 nan 0.000 0.527 482 V N 2.858 122.786 119.914 0.022 0.000 2.555 482 V HA 0.485 4.573 4.120 -0.052 0.000 0.286 482 V C 1.501 177.611 176.094 0.026 0.000 1.044 482 V CA 0.130 62.446 62.300 0.027 0.000 1.026 482 V CB 1.222 33.063 31.823 0.029 0.000 0.981 482 V HN 1.098 nan 8.190 nan 0.000 0.480 483 S N 5.660 121.378 115.700 0.031 0.000 2.563 483 S HA 0.076 4.515 4.470 -0.052 0.000 0.269 483 S C -1.646 172.967 174.600 0.022 0.000 1.364 483 S CA -0.444 57.773 58.200 0.028 0.000 1.010 483 S CB 0.273 63.495 63.200 0.036 0.000 0.877 483 S HN 0.586 nan 8.310 nan 0.000 0.549 484 P HA -0.018 nan 4.420 nan 0.000 0.216 484 P C 1.677 178.982 177.300 0.009 0.000 1.153 484 P CA 1.885 64.992 63.100 0.012 0.000 0.848 484 P CB -0.274 31.431 31.700 0.008 0.000 0.787 485 A N -0.117 122.706 122.820 0.005 0.000 1.877 485 A HA -0.093 4.195 4.320 -0.052 0.000 0.216 485 A C 2.500 180.084 177.584 0.001 0.000 1.186 485 A CA 2.128 54.161 52.037 -0.007 0.000 0.620 485 A CB -1.929 17.062 19.000 -0.014 0.000 0.822 485 A HN 0.268 nan 8.150 nan 0.000 0.443 486 G N -0.383 108.427 108.800 0.017 0.000 2.418 486 G HA2 -0.242 3.687 3.960 -0.052 0.000 0.217 486 G HA3 -0.242 3.687 3.960 -0.052 0.000 0.217 486 G C 1.692 176.613 174.900 0.034 0.000 1.158 486 G CA 1.167 46.285 45.100 0.030 0.000 0.771 486 G HN 0.579 nan 8.290 nan 0.000 0.545 487 K N 0.154 120.571 120.400 0.029 0.000 2.057 487 K HA -0.027 4.261 4.320 -0.052 0.000 0.207 487 K C 2.444 179.064 176.600 0.033 0.000 1.049 487 K CA 1.233 57.539 56.287 0.031 0.000 0.931 487 K CB -0.138 32.377 32.500 0.025 0.000 0.714 487 K HN 0.237 nan 8.250 nan 0.000 0.440 488 K N 1.401 121.815 120.400 0.023 0.000 2.032 488 K HA -0.155 4.133 4.320 -0.052 0.000 0.209 488 K C 2.160 178.783 176.600 0.039 0.000 1.048 488 K CA 1.136 57.437 56.287 0.023 0.000 0.927 488 K CB -0.148 32.356 32.500 0.007 0.000 0.712 488 K HN 0.092 nan 8.250 nan 0.000 0.441 489 L N 0.622 121.867 121.223 0.036 0.000 1.989 489 L HA -0.204 4.104 4.340 -0.052 0.000 0.211 489 L C 2.124 179.064 176.870 0.117 0.000 1.071 489 L CA 1.333 56.216 54.840 0.072 0.000 0.749 489 L CB -0.236 41.852 42.059 0.048 0.000 0.890 489 L HN 0.048 nan 8.230 nan 0.000 0.431 490 V N -0.110 119.860 119.914 0.093 0.000 2.343 490 V HA -0.327 3.762 4.120 -0.052 0.000 0.247 490 V C 2.476 178.625 176.094 0.092 0.000 1.051 490 V CA 2.096 64.454 62.300 0.095 0.000 1.036 490 V CB -0.683 31.184 31.823 0.073 0.000 0.654 490 V HN 0.563 nan 8.190 nan 0.000 0.451 491 Q N -0.184 119.659 119.800 0.072 0.000 2.084 491 Q HA -0.147 4.162 4.340 -0.052 0.000 0.202 491 Q C 2.442 178.483 176.000 0.068 0.000 0.978 491 Q CA 1.675 57.514 55.803 0.060 0.000 0.844 491 Q CB -0.419 28.345 28.738 0.043 0.000 0.898 491 Q HN 0.675 nan 8.270 nan 0.000 0.426 492 A N 0.943 123.811 122.820 0.081 0.000 1.902 492 A HA -0.155 4.134 4.320 -0.052 0.000 0.217 492 A C 2.069 179.720 177.584 0.111 0.000 1.181 492 A CA 1.090 53.179 52.037 0.087 0.000 0.623 492 A CB -0.619 18.447 19.000 0.111 0.000 0.818 492 A HN 0.273 nan 8.150 nan 0.000 0.443 493 L N -1.170 120.153 121.223 0.166 0.000 2.056 493 L HA -0.126 4.182 4.340 -0.052 0.000 0.207 493 L C 2.657 179.668 176.870 0.235 0.000 1.078 493 L CA 0.867 55.857 54.840 0.250 0.000 0.749 493 L CB -0.425 41.770 42.059 0.227 0.000 0.901 493 L HN 0.243 nan 8.230 nan 0.000 0.433 494 R N 0.073 120.662 120.500 0.148 0.000 2.241 494 R HA -0.171 4.138 4.340 -0.052 0.000 0.224 494 R C 1.918 178.242 176.300 0.039 0.000 1.101 494 R CA 0.726 56.889 56.100 0.105 0.000 0.995 494 R CB -0.346 30.002 30.300 0.080 0.000 0.870 494 R HN 0.311 nan 8.270 nan 0.000 0.463 495 E N 0.470 120.680 120.200 0.016 0.000 2.208 495 E HA -0.124 4.195 4.350 -0.052 0.000 0.193 495 E C 1.183 177.712 176.600 -0.118 0.000 0.988 495 E CA 1.182 57.561 56.400 -0.036 0.000 0.828 495 E CB 0.304 29.986 29.700 -0.029 0.000 0.763 495 E HN 0.153 nan 8.360 nan 0.000 0.478 496 Q N -1.483 118.194 119.800 -0.205 0.000 2.288 496 Q HA 0.172 4.481 4.340 -0.052 0.000 0.256 496 Q C -0.507 175.040 176.000 -0.754 0.000 0.835 496 Q CA 0.156 55.648 55.803 -0.519 0.000 0.958 496 Q CB 0.794 29.078 28.738 -0.757 0.000 1.125 496 Q HN 0.156 nan 8.270 nan 0.000 0.513 497 F N 2.167 122.112 119.950 -0.008 0.000 2.434 497 F HA 0.436 4.934 4.527 -0.048 0.000 0.355 497 F C -2.158 173.657 175.800 0.025 0.000 1.115 497 F CA -2.581 55.425 58.000 0.009 0.000 1.010 497 F CB 1.375 40.385 39.000 0.016 0.000 1.234 497 F HN -0.208 nan 8.300 nan 0.000 0.439 498 P HA 0.151 nan 4.420 nan 0.000 0.270 498 P C -2.447 174.925 177.300 0.120 0.000 1.223 498 P CA -0.871 62.285 63.100 0.093 0.000 0.785 498 P CB 0.150 31.880 31.700 0.050 0.000 0.923 499 P HA 0.082 nan 4.420 nan 0.000 0.270 499 P C -0.671 176.674 177.300 0.075 0.000 1.223 499 P CA -0.081 63.080 63.100 0.101 0.000 0.785 499 P CB 0.290 32.035 31.700 0.075 0.000 0.923 500 L N 2.029 123.296 121.223 0.073 0.000 2.397 500 L HA 0.151 4.459 4.340 -0.052 0.000 0.263 500 L C 0.947 177.814 176.870 -0.005 0.000 1.136 500 L CA 0.560 55.389 54.840 -0.018 0.000 1.019 500 L CB -0.806 41.146 42.059 -0.178 0.000 1.352 500 L HN 0.308 nan 8.230 nan 0.000 0.420 501 E N 0.745 120.949 120.200 0.006 0.000 2.285 501 E HA 0.011 4.330 4.350 -0.052 0.000 0.194 501 E C 0.278 176.884 176.600 0.010 0.000 0.997 501 E CA 0.454 56.861 56.400 0.013 0.000 0.845 501 E CB 0.295 30.004 29.700 0.015 0.000 0.782 501 E HN 0.547 nan 8.360 nan 0.000 0.491 502 T N 0.405 114.954 114.554 -0.009 0.000 2.889 502 T HA 0.095 4.413 4.350 -0.052 0.000 0.315 502 T C -1.849 172.825 174.700 -0.044 0.000 1.291 502 T CA -0.980 61.114 62.100 -0.010 0.000 1.028 502 T CB 1.422 70.288 68.868 -0.003 0.000 1.235 502 T HN -0.212 nan 8.240 nan 0.000 0.491 503 D N 3.274 123.646 120.400 -0.047 0.000 2.531 503 D HA 0.279 4.888 4.640 -0.052 0.000 0.239 503 D C 0.619 176.877 176.300 -0.070 0.000 1.144 503 D CA 0.637 54.589 54.000 -0.080 0.000 0.869 503 D CB 0.355 41.115 40.800 -0.066 0.000 1.160 503 D HN 0.651 nan 8.370 nan 0.000 0.484 504 R N 0.817 121.264 120.500 -0.089 0.000 2.764 504 R HA 0.679 4.988 4.340 -0.052 0.000 0.270 504 R C -3.092 173.173 176.300 -0.058 0.000 1.014 504 R CA -1.803 54.262 56.100 -0.059 0.000 0.904 504 R CB 0.292 30.567 30.300 -0.042 0.000 1.236 504 R HN -0.018 nan 8.270 nan 0.000 0.466 505 P HA 0.143 nan 4.420 nan 0.000 0.267 505 P C -0.320 176.975 177.300 -0.010 0.000 1.205 505 P CA -0.244 62.843 63.100 -0.022 0.000 0.765 505 P CB 0.596 32.290 31.700 -0.010 0.000 0.828 506 L N 1.610 122.830 121.223 -0.005 0.000 2.766 506 L HA 0.184 4.493 4.340 -0.052 0.000 0.242 506 L C 2.236 179.125 176.870 0.031 0.000 1.136 506 L CA 0.288 55.141 54.840 0.020 0.000 0.933 506 L CB -0.207 41.868 42.059 0.026 0.000 1.241 506 L HN 0.534 nan 8.230 nan 0.000 0.522 507 G N 0.210 109.023 108.800 0.020 0.000 2.491 507 G HA2 -0.292 3.637 3.960 -0.052 0.000 0.218 507 G HA3 -0.292 3.637 3.960 -0.052 0.000 0.218 507 G C 1.390 176.307 174.900 0.028 0.000 1.180 507 G CA 0.669 45.781 45.100 0.020 0.000 0.774 507 G HN 0.368 nan 8.290 nan 0.000 0.562 508 Q N -0.094 119.728 119.800 0.036 0.000 2.119 508 Q HA -0.079 4.230 4.340 -0.052 0.000 0.201 508 Q C 2.517 178.569 176.000 0.086 0.000 0.972 508 Q CA 1.277 57.110 55.803 0.050 0.000 0.847 508 Q CB -0.112 28.652 28.738 0.044 0.000 0.903 508 Q HN 0.623 nan 8.270 nan 0.000 0.433 509 E N 0.602 120.868 120.200 0.111 0.000 2.072 509 E HA -0.147 4.172 4.350 -0.052 0.000 0.191 509 E C 1.974 178.589 176.600 0.024 0.000 0.985 509 E CA 0.747 57.264 56.400 0.196 0.000 0.801 509 E CB -0.025 29.810 29.700 0.225 0.000 0.750 509 E HN 0.329 nan 8.360 nan 0.000 0.452 510 I N 1.078 121.636 120.570 -0.019 0.000 2.179 510 I HA -0.292 3.847 4.170 -0.052 0.000 0.242 510 I C 2.532 178.615 176.117 -0.058 0.000 1.088 510 I CA 1.038 62.294 61.300 -0.073 0.000 1.357 510 I CB -0.300 37.684 38.000 -0.028 0.000 1.051 510 I HN 0.100 nan 8.210 nan 0.000 0.409 511 A N 0.662 123.478 122.820 -0.007 0.000 1.902 511 A HA -0.156 4.133 4.320 -0.052 0.000 0.217 511 A C 2.541 180.138 177.584 0.021 0.000 1.181 511 A CA 1.850 53.890 52.037 0.005 0.000 0.623 511 A CB -0.860 18.152 19.000 0.020 0.000 0.818 511 A HN 0.433 nan 8.150 nan 0.000 0.443 512 A N -0.544 122.317 122.820 0.069 0.000 1.877 512 A HA -0.046 4.242 4.320 -0.052 0.000 0.216 512 A C 2.138 179.805 177.584 0.139 0.000 1.186 512 A CA 1.785 53.900 52.037 0.129 0.000 0.620 512 A CB -0.653 18.481 19.000 0.224 0.000 0.822 512 A HN 0.678 nan 8.150 nan 0.000 0.443 513 L N -0.215 121.041 121.223 0.054 0.000 2.083 513 L HA -0.028 4.280 4.340 -0.052 0.000 0.209 513 L C 2.668 179.461 176.870 -0.129 0.000 1.083 513 L CA 2.064 56.847 54.840 -0.095 0.000 0.752 513 L CB -0.894 40.843 42.059 -0.537 0.000 0.899 513 L HN 0.357 nan 8.230 nan 0.000 0.433 514 A N -1.509 121.229 122.820 -0.138 0.000 1.908 514 A HA -0.249 4.040 4.320 -0.052 0.000 0.218 514 A C 2.277 179.800 177.584 -0.101 0.000 1.181 514 A CA 2.451 54.398 52.037 -0.150 0.000 0.627 514 A CB -1.262 17.682 19.000 -0.095 0.000 0.818 514 A HN 0.511 nan 8.150 nan 0.000 0.445 515 T N -1.489 113.050 114.554 -0.025 0.000 2.746 515 T HA -0.162 4.156 4.350 -0.052 0.000 0.267 515 T C 1.860 176.565 174.700 0.009 0.000 1.039 515 T CA 1.889 63.993 62.100 0.007 0.000 1.142 515 T CB -0.400 68.493 68.868 0.042 0.000 0.866 515 T HN 0.812 nan 8.240 nan 0.000 0.444 516 H N 1.197 120.230 119.070 -0.061 0.000 2.326 516 H HA 0.099 4.624 4.556 -0.053 0.000 0.301 516 H C 1.995 177.253 175.328 -0.116 0.000 1.081 516 H CA 1.246 57.263 56.048 -0.053 0.000 1.334 516 H CB -0.534 29.221 29.762 -0.010 0.000 1.385 516 H HN 0.241 nan 8.280 nan 0.000 0.504 517 L N -0.009 121.012 121.223 -0.336 0.000 2.187 517 L HA -0.169 4.140 4.340 -0.052 0.000 0.213 517 L C 2.213 178.912 176.870 -0.285 0.000 1.100 517 L CA 0.944 55.445 54.840 -0.565 0.000 0.765 517 L CB -0.436 41.117 42.059 -0.844 0.000 0.904 517 L HN 0.345 nan 8.230 nan 0.000 0.437 518 L N -0.882 120.223 121.223 -0.196 0.000 2.395 518 L HA -0.122 4.187 4.340 -0.052 0.000 0.218 518 L C 2.040 178.881 176.870 -0.049 0.000 1.130 518 L CA 0.811 55.606 54.840 -0.075 0.000 0.826 518 L CB -0.131 41.918 42.059 -0.017 0.000 0.941 518 L HN 0.366 nan 8.230 nan 0.000 0.451 519 Q N -1.512 118.164 119.800 -0.206 0.000 2.245 519 Q HA 0.220 4.528 4.340 -0.052 0.000 0.236 519 Q C -0.111 175.457 176.000 -0.719 0.000 0.842 519 Q CA 0.030 55.679 55.803 -0.257 0.000 0.945 519 Q CB 1.190 29.891 28.738 -0.062 0.000 1.122 519 Q HN 0.407 nan 8.270 nan 0.000 0.506 520 Q N -0.070 119.246 119.800 -0.806 0.000 2.340 520 Q HA 0.452 4.761 4.340 -0.052 0.000 0.276 520 Q C -1.285 174.587 176.000 -0.213 0.000 1.048 520 Q CA -0.383 55.032 55.803 -0.647 0.000 0.832 520 Q CB 2.689 31.192 28.738 -0.391 0.000 1.373 520 Q HN -0.047 nan 8.270 nan 0.000 0.409 521 S N 2.065 117.719 115.700 -0.076 0.000 2.687 521 S HA 0.535 4.973 4.470 -0.052 0.000 0.283 521 S C -2.387 171.980 174.600 -0.390 0.000 1.170 521 S CA -1.130 56.967 58.200 -0.172 0.000 1.008 521 S CB 0.825 63.981 63.200 -0.074 0.000 1.026 521 S HN 0.421 nan 8.310 nan 0.000 0.541 522 P HA 0.251 nan 4.420 nan 0.000 0.273 522 P C -0.726 176.368 177.300 -0.342 0.000 1.428 522 P CA -0.082 62.578 63.100 -0.734 0.000 0.995 522 P CB -0.093 30.905 31.700 -1.171 0.000 1.286 523 V N 0.000 119.811 119.914 -0.172 0.000 2.409 523 V HA 0.000 4.089 4.120 -0.052 0.000 0.244 523 V CA 0.000 62.240 62.300 -0.101 0.000 1.235 523 V CB 0.000 31.776 31.823 -0.078 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556