REMARK SPARTA+ Protein Chemical Shift Prediction Table REMARK REMARK All chemical shifts are reported in ppm: REMARK REMARK SS_SHIFT is the predicted secondary chemical shift. REMARK SHIFT is the predicted chemical shift. REMARK RC_SHIFT is the random coil chemical shift. REMARK HM_SHIFT is the ring current shift; a correction REMARK of 0.6 times this value is applied. REMARK EF_SHIFT is the adjustment for electric field effect, REMARK applied to proton shifts only. REMARK SIGMA is the estimated prediction error. REMARK REMARK Reference: REMARK Y. Shen and A. Bax: SPARTA+: a modest improvement in empirical NMR REMARK chemical shift prediction by means of an artificial neural network. REMARK J. Biomol. NMR 48, 13-22 (2010). DATA SOURCE 2o7f_1_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 0.000 177.309 177.300 0.014 0.000 1.155 7 P CA 0.000 63.107 63.100 0.012 0.000 0.800 7 P CB 0.000 31.706 31.700 0.011 0.000 0.726 8 K N 2.598 123.008 120.400 0.016 0.000 2.369 8 K HA -0.085 4.194 4.320 -0.068 0.000 0.245 8 K C -1.834 174.777 176.600 0.018 0.000 1.112 8 K CA -0.140 56.159 56.287 0.020 0.000 1.179 8 K CB -0.020 32.493 32.500 0.021 0.000 0.734 8 K HN 0.166 nan 8.250 nan 0.000 0.502 9 P HA -0.014 nan 4.420 nan 0.000 0.270 9 P C -1.369 175.939 177.300 0.014 0.000 1.221 9 P CA -0.041 63.070 63.100 0.018 0.000 0.788 9 P CB 0.859 32.572 31.700 0.022 0.000 0.904 10 A N 1.297 124.124 122.820 0.011 0.000 2.374 10 A HA 0.540 4.819 4.320 -0.068 0.000 0.305 10 A C -1.077 176.509 177.584 0.005 0.000 1.053 10 A CA -0.575 51.465 52.037 0.006 0.000 0.726 10 A CB 1.148 20.150 19.000 0.005 0.000 1.229 10 A HN 0.298 nan 8.150 nan 0.000 0.431 11 V N 2.521 122.434 119.914 -0.001 0.000 2.350 11 V HA 0.279 4.358 4.120 -0.068 0.000 0.276 11 V C 0.318 176.409 176.094 -0.006 0.000 1.028 11 V CA -0.310 61.988 62.300 -0.003 0.000 0.860 11 V CB 1.173 32.990 31.823 -0.010 0.000 0.990 11 V HN 0.951 nan 8.190 nan 0.000 0.453 12 E N 4.687 124.887 120.200 -0.001 0.000 2.089 12 E HA 0.330 4.639 4.350 -0.068 0.000 0.284 12 E C -0.853 175.745 176.600 -0.003 0.000 1.023 12 E CA -0.760 55.640 56.400 -0.002 0.000 0.819 12 E CB 1.128 30.830 29.700 0.003 0.000 1.076 12 E HN 0.563 nan 8.360 nan 0.000 0.396 13 L N 5.347 126.565 121.223 -0.008 0.000 2.281 13 L HA 0.265 4.564 4.340 -0.068 0.000 0.285 13 L C -0.124 176.744 176.870 -0.003 0.000 1.074 13 L CA 0.512 55.345 54.840 -0.011 0.000 0.817 13 L CB 1.260 43.306 42.059 -0.021 0.000 1.168 13 L HN 0.722 nan 8.230 nan 0.000 0.434 14 D N 2.883 123.286 120.400 0.006 0.000 3.061 14 D HA 0.183 4.782 4.640 -0.068 0.000 0.243 14 D C 1.350 177.659 176.300 0.015 0.000 1.572 14 D CA 0.813 54.819 54.000 0.011 0.000 1.269 14 D CB 0.684 41.495 40.800 0.018 0.000 1.023 14 D HN 0.584 nan 8.370 nan 0.000 0.280 15 R N -1.775 118.745 120.500 0.034 0.000 2.302 15 R HA 0.222 4.521 4.340 -0.068 0.000 0.187 15 R C 0.185 176.529 176.300 0.073 0.000 0.904 15 R CA -0.198 55.929 56.100 0.045 0.000 1.105 15 R CB 0.457 30.788 30.300 0.051 0.000 1.239 15 R HN 0.201 nan 8.270 nan 0.000 0.620 16 H N 0.211 119.273 119.070 -0.012 0.000 2.529 16 H HA 0.582 5.097 4.556 -0.069 0.000 0.348 16 H C -1.345 173.977 175.328 -0.011 0.000 1.152 16 H CA -0.617 55.423 56.048 -0.013 0.000 1.202 16 H CB 1.412 31.167 29.762 -0.013 0.000 1.562 16 H HN 0.029 nan 8.280 nan 0.000 0.515 17 I N 4.168 124.387 120.570 -0.586 0.000 2.607 17 I HA 0.229 4.358 4.170 -0.068 0.000 0.290 17 I C -1.239 174.599 176.117 -0.465 0.000 1.129 17 I CA -0.837 60.261 61.300 -0.336 0.000 1.042 17 I CB 1.495 39.386 38.000 -0.182 0.000 1.242 17 I HN 0.849 nan 8.210 nan 0.000 0.421 18 D N 6.157 126.442 120.400 -0.192 0.000 2.411 18 D HA 0.206 4.805 4.640 -0.068 0.000 0.251 18 D C 1.002 177.271 176.300 -0.052 0.000 1.201 18 D CA -0.525 53.425 54.000 -0.085 0.000 0.996 18 D CB 0.924 41.750 40.800 0.043 0.000 1.101 18 D HN 0.504 nan 8.370 nan 0.000 0.504 19 L N -0.447 120.772 121.223 -0.007 0.000 2.083 19 L HA -0.135 4.164 4.340 -0.068 0.000 0.209 19 L C 1.523 178.430 176.870 0.061 0.000 1.083 19 L CA 1.315 56.170 54.840 0.025 0.000 0.752 19 L CB -0.478 41.608 42.059 0.045 0.000 0.899 19 L HN 0.439 nan 8.230 nan 0.000 0.433 20 D N -0.144 120.292 120.400 0.060 0.000 2.117 20 D HA -0.169 4.430 4.640 -0.068 0.000 0.198 20 D C 2.327 178.667 176.300 0.068 0.000 0.982 20 D CA 1.093 55.144 54.000 0.085 0.000 0.828 20 D CB -0.108 40.734 40.800 0.071 0.000 0.967 20 D HN 0.398 nan 8.370 nan 0.000 0.464 21 Q N 0.419 120.238 119.800 0.033 0.000 2.084 21 Q HA -0.072 4.227 4.340 -0.068 0.000 0.202 21 Q C 2.225 178.223 176.000 -0.003 0.000 0.978 21 Q CA 1.349 57.159 55.803 0.013 0.000 0.844 21 Q CB -0.106 28.628 28.738 -0.007 0.000 0.898 21 Q HN 0.199 nan 8.270 nan 0.000 0.426 22 A N 0.928 123.742 122.820 -0.009 0.000 1.883 22 A HA -0.251 4.028 4.320 -0.068 0.000 0.217 22 A C 1.967 179.535 177.584 -0.026 0.000 1.186 22 A CA 1.692 53.713 52.037 -0.027 0.000 0.624 22 A CB -0.871 18.113 19.000 -0.026 0.000 0.822 22 A HN 0.453 nan 8.150 nan 0.000 0.444 23 H N -0.100 118.921 119.070 -0.083 0.000 2.423 23 H HA 0.039 4.556 4.556 -0.066 0.000 0.297 23 H C 2.245 177.492 175.328 -0.134 0.000 1.075 23 H CA 1.386 57.348 56.048 -0.143 0.000 1.342 23 H CB -0.134 29.459 29.762 -0.283 0.000 1.395 23 H HN 0.416 nan 8.280 nan 0.000 0.530 24 A N 0.414 123.231 122.820 -0.005 0.000 1.902 24 A HA -0.104 4.175 4.320 -0.068 0.000 0.217 24 A C 2.808 180.357 177.584 -0.059 0.000 1.181 24 A CA 1.627 53.661 52.037 -0.005 0.000 0.623 24 A CB -0.798 18.220 19.000 0.030 0.000 0.818 24 A HN 0.284 nan 8.150 nan 0.000 0.443 25 V N -0.338 119.531 119.914 -0.075 0.000 2.323 25 V HA -0.159 3.920 4.120 -0.068 0.000 0.244 25 V C 3.055 179.059 176.094 -0.150 0.000 1.041 25 V CA 1.731 63.980 62.300 -0.085 0.000 1.025 25 V CB -1.257 30.520 31.823 -0.076 0.000 0.656 25 V HN 0.594 nan 8.190 nan 0.000 0.451 26 A N 0.944 123.637 122.820 -0.211 0.000 1.940 26 A HA -0.214 4.065 4.320 -0.068 0.000 0.219 26 A C 2.388 179.768 177.584 -0.340 0.000 1.176 26 A CA 2.355 54.215 52.037 -0.296 0.000 0.631 26 A CB -0.701 18.129 19.000 -0.284 0.000 0.814 26 A HN 0.697 nan 8.150 nan 0.000 0.446 27 S N -2.020 113.497 115.700 -0.305 0.000 2.603 27 S HA 0.373 4.802 4.470 -0.068 0.000 0.220 27 S C 1.381 176.114 174.600 0.221 0.000 0.967 27 S CA 1.005 59.174 58.200 -0.052 0.000 0.920 27 S CB -0.316 62.748 63.200 -0.226 0.000 0.773 27 S HN 1.956 nan 8.310 nan 0.000 0.529 28 G N 0.460 109.314 108.800 0.090 0.000 2.148 28 G HA2 -0.200 3.719 3.960 -0.068 0.000 0.254 28 G HA3 -0.200 3.719 3.960 -0.068 0.000 0.254 28 G C 0.769 175.736 174.900 0.111 0.000 0.981 28 G CA 0.080 45.286 45.100 0.177 0.000 0.670 28 G HN 0.973 nan 8.290 nan 0.000 0.528 29 G N -0.697 108.142 108.800 0.065 0.000 2.712 29 G HA2 0.615 4.534 3.960 -0.068 0.000 0.212 29 G HA3 0.615 4.534 3.960 -0.068 0.000 0.212 29 G C 0.570 175.494 174.900 0.040 0.000 1.142 29 G CA 1.586 46.720 45.100 0.057 0.000 0.789 29 G HN 1.827 nan 8.290 nan 0.000 0.535 30 A N -0.338 122.498 122.820 0.026 0.000 2.549 30 A HA 0.776 5.055 4.320 -0.068 0.000 0.297 30 A C -0.356 177.232 177.584 0.006 0.000 1.061 30 A CA -0.845 51.201 52.037 0.016 0.000 0.690 30 A CB 1.493 20.499 19.000 0.011 0.000 1.287 30 A HN 0.192 nan 8.150 nan 0.000 0.402 31 R N 0.079 120.582 120.500 0.006 0.000 2.543 31 R HA 0.670 4.969 4.340 -0.068 0.000 0.268 31 R C -0.645 175.650 176.300 -0.009 0.000 1.067 31 R CA -0.355 55.745 56.100 0.000 0.000 1.142 31 R CB 1.209 31.512 30.300 0.004 0.000 1.110 31 R HN 0.684 nan 8.270 nan 0.000 0.549 32 I N 0.983 121.544 120.570 -0.015 0.000 2.545 32 I HA 0.421 4.550 4.170 -0.068 0.000 0.292 32 I C -1.407 174.701 176.117 -0.015 0.000 1.040 32 I CA -0.897 60.392 61.300 -0.019 0.000 1.068 32 I CB 1.893 39.874 38.000 -0.031 0.000 1.251 32 I HN 0.293 nan 8.210 nan 0.000 0.424 33 V N 7.870 127.777 119.914 -0.013 0.000 2.876 33 V HA 0.514 4.593 4.120 -0.068 0.000 0.312 33 V C -1.395 174.692 176.094 -0.011 0.000 1.085 33 V CA -0.696 61.598 62.300 -0.010 0.000 0.945 33 V CB 2.199 34.018 31.823 -0.006 0.000 1.017 33 V HN 0.644 nan 8.190 nan 0.000 0.428 34 L N 5.888 127.105 121.223 -0.011 0.000 2.281 34 L HA 0.771 5.070 4.340 -0.068 0.000 0.285 34 L C 0.677 177.543 176.870 -0.007 0.000 1.074 34 L CA 0.547 55.381 54.840 -0.011 0.000 0.817 34 L CB 0.907 42.958 42.059 -0.013 0.000 1.168 34 L HN 0.909 nan 8.230 nan 0.000 0.434 35 A N 6.853 129.670 122.820 -0.004 0.000 2.445 35 A HA 0.381 4.660 4.320 -0.068 0.000 0.242 35 A C -1.605 175.977 177.584 -0.002 0.000 1.075 35 A CA -0.779 51.257 52.037 -0.002 0.000 0.777 35 A CB -0.350 18.651 19.000 0.002 0.000 1.013 35 A HN 0.783 nan 8.150 nan 0.000 0.493 36 P HA -0.185 nan 4.420 nan 0.000 0.215 36 P C -1.287 176.012 177.300 -0.002 0.000 1.163 36 P CA 2.202 65.301 63.100 -0.002 0.000 0.894 36 P CB -0.726 30.973 31.700 -0.001 0.000 0.791 37 P HA -0.142 nan 4.420 nan 0.000 0.218 37 P C 1.251 178.551 177.300 0.000 0.000 1.149 37 P CA 1.882 64.982 63.100 0.001 0.000 0.817 37 P CB -0.411 31.291 31.700 0.003 0.000 0.785 38 A N 0.761 123.581 122.820 -0.000 0.000 1.872 38 A HA -0.148 4.131 4.320 -0.068 0.000 0.214 38 A C 2.569 180.150 177.584 -0.005 0.000 1.187 38 A CA 1.326 53.362 52.037 -0.001 0.000 0.614 38 A CB -1.296 17.702 19.000 -0.003 0.000 0.826 38 A HN 0.031 nan 8.150 nan 0.000 0.442 39 R N -0.236 120.260 120.500 -0.007 0.000 2.091 39 R HA -0.190 4.109 4.340 -0.068 0.000 0.238 39 R C 1.294 177.587 176.300 -0.012 0.000 1.136 39 R CA 2.013 58.106 56.100 -0.012 0.000 0.959 39 R CB -0.401 29.892 30.300 -0.011 0.000 0.856 39 R HN 0.471 nan 8.270 nan 0.000 0.437 40 D N -0.016 120.380 120.400 -0.008 0.000 2.117 40 D HA -0.120 4.479 4.640 -0.068 0.000 0.198 40 D C 2.056 178.352 176.300 -0.006 0.000 0.982 40 D CA 0.987 54.982 54.000 -0.007 0.000 0.828 40 D CB -0.174 40.623 40.800 -0.004 0.000 0.967 40 D HN 0.284 nan 8.370 nan 0.000 0.464 41 R N 0.095 120.594 120.500 -0.002 0.000 2.096 41 R HA -0.077 4.222 4.340 -0.068 0.000 0.235 41 R C 2.473 178.773 176.300 0.000 0.000 1.127 41 R CA 0.918 57.019 56.100 0.002 0.000 0.968 41 R CB -0.411 29.893 30.300 0.006 0.000 0.861 41 R HN 0.229 nan 8.270 nan 0.000 0.440 42 C N -0.193 119.104 119.300 -0.006 0.000 2.457 42 C HA 0.003 4.422 4.460 -0.068 0.000 0.278 42 C C 2.567 177.542 174.990 -0.024 0.000 1.309 42 C CA 0.389 59.400 59.018 -0.012 0.000 1.735 42 C CB -0.736 26.994 27.740 -0.017 0.000 1.992 42 C HN 0.458 nan 8.230 nan 0.000 0.493 43 R N 1.129 121.614 120.500 -0.025 0.000 2.081 43 R HA -0.101 4.199 4.340 -0.068 0.000 0.235 43 R C 2.381 178.664 176.300 -0.029 0.000 1.131 43 R CA 1.609 57.690 56.100 -0.032 0.000 0.960 43 R CB -0.465 29.820 30.300 -0.025 0.000 0.856 43 R HN 0.545 nan 8.270 nan 0.000 0.436 44 A N 0.210 123.019 122.820 -0.018 0.000 1.930 44 A HA -0.168 4.111 4.320 -0.068 0.000 0.217 44 A C 2.179 179.751 177.584 -0.021 0.000 1.175 44 A CA 1.779 53.807 52.037 -0.015 0.000 0.627 44 A CB -0.533 18.465 19.000 -0.004 0.000 0.815 44 A HN 0.297 nan 8.150 nan 0.000 0.443 45 S N -0.755 114.936 115.700 -0.016 0.000 2.383 45 S HA -0.191 4.238 4.470 -0.068 0.000 0.227 45 S C 2.018 176.570 174.600 -0.080 0.000 1.026 45 S CA 1.539 59.728 58.200 -0.018 0.000 0.981 45 S CB -0.334 62.879 63.200 0.022 0.000 0.818 45 S HN 0.681 nan 8.310 nan 0.000 0.472 46 E N 0.410 120.566 120.200 -0.072 0.000 2.085 46 E HA -0.149 4.160 4.350 -0.068 0.000 0.194 46 E C 2.052 178.594 176.600 -0.097 0.000 0.994 46 E CA 1.144 57.486 56.400 -0.097 0.000 0.801 46 E CB -0.383 29.262 29.700 -0.091 0.000 0.743 46 E HN 0.607 nan 8.360 nan 0.000 0.453 47 A N 1.291 124.069 122.820 -0.070 0.000 1.930 47 A HA -0.143 4.136 4.320 -0.068 0.000 0.217 47 A C 2.149 179.684 177.584 -0.082 0.000 1.175 47 A CA 1.241 53.245 52.037 -0.056 0.000 0.627 47 A CB -0.406 18.574 19.000 -0.033 0.000 0.815 47 A HN 0.183 nan 8.150 nan 0.000 0.443 48 R N -1.092 119.347 120.500 -0.103 0.000 2.120 48 R HA -0.112 4.187 4.340 -0.068 0.000 0.234 48 R C 2.031 178.171 176.300 -0.267 0.000 1.123 48 R CA 1.381 57.406 56.100 -0.126 0.000 0.975 48 R CB -0.567 29.687 30.300 -0.077 0.000 0.866 48 R HN 0.503 nan 8.270 nan 0.000 0.446 49 L N 0.515 121.496 121.223 -0.402 0.000 2.093 49 L HA 0.023 4.322 4.340 -0.068 0.000 0.208 49 L C 2.072 178.795 176.870 -0.245 0.000 1.085 49 L CA 1.915 56.425 54.840 -0.550 0.000 0.755 49 L CB -0.872 40.887 42.059 -0.500 0.000 0.904 49 L HN 0.125 nan 8.230 nan 0.000 0.435 50 G N -0.959 107.756 108.800 -0.141 0.000 2.402 50 G HA2 -0.218 3.701 3.960 -0.068 0.000 0.216 50 G HA3 -0.218 3.701 3.960 -0.068 0.000 0.216 50 G C 1.591 176.459 174.900 -0.053 0.000 1.162 50 G CA 0.725 45.787 45.100 -0.064 0.000 0.777 50 G HN 0.615 nan 8.290 nan 0.000 0.539 51 A N 0.094 122.879 122.820 -0.059 0.000 1.930 51 A HA 0.111 4.390 4.320 -0.068 0.000 0.217 51 A C 2.579 180.154 177.584 -0.016 0.000 1.175 51 A CA 1.668 53.687 52.037 -0.029 0.000 0.627 51 A CB -0.585 18.402 19.000 -0.022 0.000 0.815 51 A HN 0.239 nan 8.150 nan 0.000 0.443 52 V N 0.213 120.105 119.914 -0.037 0.000 2.343 52 V HA -0.263 3.816 4.120 -0.068 0.000 0.247 52 V C 2.400 178.512 176.094 0.031 0.000 1.051 52 V CA 2.071 64.382 62.300 0.018 0.000 1.036 52 V CB -0.571 31.268 31.823 0.027 0.000 0.654 52 V HN 0.582 nan 8.190 nan 0.000 0.451 53 I N -0.562 120.007 120.570 -0.001 0.000 2.286 53 I HA -0.205 3.924 4.170 -0.068 0.000 0.245 53 I C 2.703 178.826 176.117 0.010 0.000 1.104 53 I CA 1.515 62.822 61.300 0.011 0.000 1.397 53 I CB -0.458 37.540 38.000 -0.004 0.000 1.072 53 I HN 0.199 nan 8.210 nan 0.000 0.417 54 R N 1.498 121.998 120.500 0.001 0.000 2.091 54 R HA -0.199 4.100 4.340 -0.068 0.000 0.238 54 R C 1.734 178.040 176.300 0.010 0.000 1.136 54 R CA 1.786 57.888 56.100 0.002 0.000 0.959 54 R CB -0.090 30.208 30.300 -0.003 0.000 0.856 54 R HN 0.421 nan 8.270 nan 0.000 0.437 55 E N -0.406 119.805 120.200 0.018 0.000 2.502 55 E HA 0.085 4.394 4.350 -0.068 0.000 0.194 55 E C 0.292 176.913 176.600 0.035 0.000 1.062 55 E CA 0.380 56.796 56.400 0.026 0.000 0.867 55 E CB 0.400 30.120 29.700 0.033 0.000 0.888 55 E HN 0.470 nan 8.360 nan 0.000 0.510 56 A N 2.125 124.967 122.820 0.037 0.000 2.791 56 A HA -0.225 4.054 4.320 -0.068 0.000 0.292 56 A C 0.007 177.632 177.584 0.069 0.000 1.487 56 A CA 0.522 52.584 52.037 0.042 0.000 0.760 56 A CB -1.292 17.722 19.000 0.023 0.000 1.031 56 A HN 0.137 nan 8.150 nan 0.000 0.503 57 R N 0.207 120.765 120.500 0.096 0.000 2.590 57 R HA 0.115 4.414 4.340 -0.068 0.000 0.274 57 R C 0.551 176.970 176.300 0.199 0.000 1.061 57 R CA -0.128 56.055 56.100 0.139 0.000 1.081 57 R CB 0.096 30.488 30.300 0.153 0.000 0.984 57 R HN 0.720 nan 8.270 nan 0.000 0.448 58 H N 2.057 121.173 119.070 0.076 0.000 3.232 58 H HA 0.191 4.706 4.556 -0.068 0.000 0.254 58 H C -0.880 174.523 175.328 0.126 0.000 1.213 58 H CA -0.345 55.741 56.048 0.062 0.000 1.503 58 H CB 0.150 29.924 29.762 0.020 0.000 1.563 58 H HN 0.051 nan 8.280 nan 0.000 0.490 59 V N 6.283 126.400 119.914 0.338 0.000 2.638 59 V HA 0.007 4.086 4.120 -0.068 0.000 0.306 59 V C -0.690 175.631 176.094 0.378 0.000 1.052 59 V CA -1.017 61.509 62.300 0.377 0.000 0.885 59 V CB 1.345 33.385 31.823 0.362 0.000 0.999 59 V HN 0.641 nan 8.190 nan 0.000 0.424 60 Y N 3.640 124.184 120.300 0.407 0.000 2.805 60 Y HA 0.353 4.862 4.550 -0.068 0.000 0.331 60 Y C 1.376 177.386 175.900 0.183 0.000 1.241 60 Y CA 1.822 60.064 58.100 0.238 0.000 1.546 60 Y CB 0.506 39.158 38.460 0.320 0.000 1.248 60 Y HN 1.057 nan 8.280 nan 0.000 0.559 61 G N 4.110 112.623 108.800 -0.478 0.000 2.234 61 G HA2 -0.301 3.618 3.960 -0.068 0.000 0.260 61 G HA3 -0.301 3.618 3.960 -0.068 0.000 0.260 61 G C 0.619 175.492 174.900 -0.044 0.000 0.987 61 G CA 0.615 45.553 45.100 -0.271 0.000 0.625 61 G HN 0.671 nan 8.290 nan 0.000 0.532 62 L N -0.189 121.043 121.223 0.015 0.000 2.577 62 L HA 0.284 4.583 4.340 -0.068 0.000 0.225 62 L C 2.147 179.030 176.870 0.021 0.000 1.053 62 L CA 1.518 56.394 54.840 0.061 0.000 0.866 62 L CB 0.479 42.622 42.059 0.140 0.000 1.132 62 L HN 0.443 nan 8.230 nan 0.000 0.486 63 T N -3.993 110.571 114.554 0.018 0.000 3.332 63 T HA 0.188 4.497 4.350 -0.068 0.000 0.304 63 T C 0.262 174.933 174.700 -0.049 0.000 0.971 63 T CA 0.100 62.199 62.100 -0.001 0.000 0.954 63 T CB 0.080 68.979 68.868 0.052 0.000 1.175 63 T HN 0.183 nan 8.240 nan 0.000 0.519 64 T N -1.887 112.585 114.554 -0.136 0.000 2.864 64 T HA 0.773 5.082 4.350 -0.068 0.000 0.299 64 T C 0.506 174.921 174.700 -0.476 0.000 1.166 64 T CA -0.287 61.695 62.100 -0.196 0.000 1.007 64 T CB 1.434 70.272 68.868 -0.051 0.000 1.219 64 T HN 0.292 nan 8.240 nan 0.000 0.506 65 G N -0.126 108.439 108.800 -0.391 0.000 2.553 65 G HA2 0.570 4.489 3.960 -0.068 0.000 0.278 65 G HA3 0.570 4.489 3.960 -0.068 0.000 0.278 65 G C -1.056 173.407 174.900 -0.729 0.000 1.349 65 G CA -0.823 43.962 45.100 -0.525 0.000 1.037 65 G HN 0.560 nan 8.290 nan 0.000 0.508 66 F N -0.791 119.133 119.950 -0.043 0.000 2.470 66 F HA 0.605 5.092 4.527 -0.068 0.000 0.329 66 F C 1.160 177.071 175.800 0.185 0.000 1.072 66 F CA 0.402 58.440 58.000 0.064 0.000 0.989 66 F CB 1.408 40.512 39.000 0.173 0.000 1.193 66 F HN 1.027 nan 8.300 nan 0.000 0.481 67 G N 1.999 111.124 108.800 0.542 0.000 2.596 67 G HA2 -0.286 3.633 3.960 -0.068 0.000 0.295 67 G HA3 -0.286 3.633 3.960 -0.068 0.000 0.295 67 G C -1.891 173.127 174.900 0.196 0.000 1.240 67 G CA -0.089 45.185 45.100 0.289 0.000 0.985 67 G HN 0.516 nan 8.290 nan 0.000 0.555 68 P HA 0.126 nan 4.420 nan 0.000 0.226 68 P C 1.777 179.111 177.300 0.057 0.000 1.153 68 P CA 0.841 63.984 63.100 0.072 0.000 0.777 68 P CB -0.079 31.647 31.700 0.043 0.000 0.794 69 L N -1.547 119.709 121.223 0.055 0.000 2.599 69 L HA 0.136 4.435 4.340 -0.068 0.000 0.230 69 L C 2.052 178.924 176.870 0.003 0.000 1.141 69 L CA 0.192 55.040 54.840 0.012 0.000 0.877 69 L CB -0.731 41.316 42.059 -0.019 0.000 1.009 69 L HN -0.043 nan 8.230 nan 0.000 0.447 70 A N 1.365 124.225 122.820 0.067 0.000 2.172 70 A HA -0.169 4.110 4.320 -0.068 0.000 0.216 70 A C 1.987 179.607 177.584 0.059 0.000 1.154 70 A CA 1.367 53.450 52.037 0.077 0.000 0.701 70 A CB -0.528 18.630 19.000 0.263 0.000 0.789 70 A HN 0.651 nan 8.150 nan 0.000 0.465 71 N N -0.459 118.265 118.700 0.040 0.000 2.515 71 N HA -0.051 4.648 4.740 -0.068 0.000 0.185 71 N C 0.071 175.573 175.510 -0.013 0.000 1.109 71 N CA 0.291 53.355 53.050 0.024 0.000 0.903 71 N CB -0.207 38.292 38.487 0.020 0.000 0.969 71 N HN 0.202 nan 8.380 nan 0.000 0.450 72 R N 1.040 121.521 120.500 -0.031 0.000 2.196 72 R HA 0.387 4.686 4.340 -0.068 0.000 0.340 72 R C -0.168 176.086 176.300 -0.078 0.000 1.043 72 R CA -0.280 55.788 56.100 -0.053 0.000 0.883 72 R CB 0.771 31.037 30.300 -0.056 0.000 1.078 72 R HN 0.148 nan 8.270 nan 0.000 0.462 73 L N 4.063 125.235 121.223 -0.085 0.000 2.417 73 L HA 0.373 4.672 4.340 -0.068 0.000 0.268 73 L C 0.102 176.918 176.870 -0.090 0.000 1.158 73 L CA -0.445 54.330 54.840 -0.107 0.000 0.819 73 L CB 0.592 42.564 42.059 -0.144 0.000 1.112 73 L HN 0.355 nan 8.230 nan 0.000 0.458 74 I N 1.396 121.913 120.570 -0.090 0.000 2.474 74 I HA 0.229 4.358 4.170 -0.068 0.000 0.294 74 I C 0.322 176.409 176.117 -0.051 0.000 1.005 74 I CA -0.240 61.017 61.300 -0.072 0.000 1.113 74 I CB 1.666 39.612 38.000 -0.089 0.000 1.289 74 I HN 0.523 nan 8.210 nan 0.000 0.436 75 S N 3.093 118.770 115.700 -0.039 0.000 2.580 75 S HA 0.364 4.793 4.470 -0.068 0.000 0.274 75 S C 1.487 176.075 174.600 -0.020 0.000 1.329 75 S CA 0.153 58.336 58.200 -0.028 0.000 1.036 75 S CB 1.259 64.445 63.200 -0.024 0.000 0.919 75 S HN 0.887 nan 8.310 nan 0.000 0.515 76 G N 2.909 111.700 108.800 -0.014 0.000 2.503 76 G HA2 -0.261 3.658 3.960 -0.068 0.000 0.221 76 G HA3 -0.261 3.658 3.960 -0.068 0.000 0.221 76 G C 1.262 176.156 174.900 -0.009 0.000 1.131 76 G CA 1.170 46.265 45.100 -0.008 0.000 0.756 76 G HN 0.898 nan 8.290 nan 0.000 0.572 77 E N 0.819 121.013 120.200 -0.010 0.000 2.409 77 E HA -0.066 4.244 4.350 -0.068 0.000 0.198 77 E C 1.027 177.623 176.600 -0.007 0.000 1.024 77 E CA 0.659 57.053 56.400 -0.009 0.000 0.861 77 E CB -0.325 29.370 29.700 -0.009 0.000 0.788 77 E HN 0.406 nan 8.360 nan 0.000 0.521 78 N N 0.711 119.407 118.700 -0.007 0.000 2.203 78 N HA 0.065 4.764 4.740 -0.068 0.000 0.207 78 N C 1.492 177.004 175.510 0.003 0.000 1.130 78 N CA 0.102 53.151 53.050 -0.002 0.000 0.861 78 N CB 0.951 39.435 38.487 -0.006 0.000 1.005 78 N HN 0.012 nan 8.380 nan 0.000 0.507 79 V N 1.231 121.146 119.914 0.002 0.000 2.358 79 V HA -0.169 3.910 4.120 -0.068 0.000 0.246 79 V C 2.441 178.549 176.094 0.023 0.000 1.047 79 V CA 1.339 63.646 62.300 0.012 0.000 1.035 79 V CB -0.213 31.617 31.823 0.011 0.000 0.658 79 V HN 0.234 nan 8.190 nan 0.000 0.452 80 R N 0.245 120.751 120.500 0.011 0.000 2.083 80 R HA -0.153 4.146 4.340 -0.068 0.000 0.237 80 R C 2.367 178.673 176.300 0.010 0.000 1.137 80 R CA 2.108 58.212 56.100 0.006 0.000 0.951 80 R CB -1.348 28.949 30.300 -0.005 0.000 0.851 80 R HN 0.522 nan 8.270 nan 0.000 0.434 81 T N 2.316 116.880 114.554 0.017 0.000 2.746 81 T HA -0.133 4.176 4.350 -0.068 0.000 0.267 81 T C 1.894 176.627 174.700 0.054 0.000 1.039 81 T CA 1.119 63.236 62.100 0.028 0.000 1.142 81 T CB -0.323 68.564 68.868 0.032 0.000 0.866 81 T HN 0.093 nan 8.240 nan 0.000 0.444 82 L N 1.395 122.661 121.223 0.071 0.000 1.971 82 L HA -0.178 4.121 4.340 -0.068 0.000 0.215 82 L C 2.451 179.454 176.870 0.221 0.000 1.072 82 L CA 1.885 56.810 54.840 0.142 0.000 0.758 82 L CB -0.713 41.394 42.059 0.081 0.000 0.889 82 L HN 0.256 nan 8.230 nan 0.000 0.433 83 Q N -0.867 119.022 119.800 0.149 0.000 2.224 83 Q HA -0.112 4.187 4.340 -0.068 0.000 0.203 83 Q C 2.171 178.137 176.000 -0.056 0.000 0.970 83 Q CA 1.193 57.049 55.803 0.089 0.000 0.865 83 Q CB -0.303 28.474 28.738 0.065 0.000 0.922 83 Q HN 0.723 nan 8.270 nan 0.000 0.445 84 A N 1.583 124.359 122.820 -0.073 0.000 1.929 84 A HA -0.157 4.122 4.320 -0.068 0.000 0.216 84 A C 1.707 179.081 177.584 -0.351 0.000 1.176 84 A CA 1.230 53.132 52.037 -0.224 0.000 0.628 84 A CB -0.223 18.683 19.000 -0.157 0.000 0.816 84 A HN 0.263 nan 8.150 nan 0.000 0.444 85 N N -0.207 118.446 118.700 -0.078 0.000 2.331 85 N HA -0.076 4.623 4.740 -0.068 0.000 0.180 85 N C 1.526 177.088 175.510 0.087 0.000 1.019 85 N CA 1.102 54.207 53.050 0.092 0.000 0.881 85 N CB -0.454 38.174 38.487 0.235 0.000 0.972 85 N HN 0.453 nan 8.380 nan 0.000 0.435 86 L N 0.942 122.120 121.223 -0.075 0.000 1.994 86 L HA -0.083 4.217 4.340 -0.068 0.000 0.208 86 L C 1.884 178.296 176.870 -0.762 0.000 1.071 86 L CA 1.457 55.966 54.840 -0.552 0.000 0.745 86 L CB -0.705 40.949 42.059 -0.676 0.000 0.892 86 L HN -0.118 nan 8.230 nan 0.000 0.431 87 V N -0.308 119.322 119.914 -0.474 0.000 2.490 87 V HA -0.334 3.745 4.120 -0.068 0.000 0.250 87 V C 2.366 178.274 176.094 -0.310 0.000 1.061 87 V CA 2.178 64.235 62.300 -0.404 0.000 1.064 87 V CB -1.049 30.584 31.823 -0.316 0.000 0.670 87 V HN 0.627 nan 8.190 nan 0.000 0.461 88 H N -0.323 118.597 119.070 -0.250 0.000 2.261 88 H HA -0.162 4.353 4.556 -0.068 0.000 0.301 88 H C 2.243 177.491 175.328 -0.133 0.000 1.067 88 H CA 1.887 57.845 56.048 -0.151 0.000 1.297 88 H CB -0.278 29.466 29.762 -0.031 0.000 1.377 88 H HN 0.585 nan 8.280 nan 0.000 0.492 89 F N 0.820 120.802 119.950 0.055 0.000 2.333 89 F HA -0.070 4.416 4.527 -0.068 0.000 0.300 89 F C 1.683 177.456 175.800 -0.045 0.000 1.083 89 F CA 0.864 58.864 58.000 -0.000 0.000 1.395 89 F CB -0.820 38.186 39.000 0.009 0.000 1.056 89 F HN 0.021 nan 8.300 nan 0.000 0.529 90 L N 0.604 121.457 121.223 -0.617 0.000 2.395 90 L HA 0.173 4.472 4.340 -0.068 0.000 0.218 90 L C 1.940 178.659 176.870 -0.253 0.000 1.130 90 L CA 0.478 55.050 54.840 -0.446 0.000 0.826 90 L CB -0.698 40.983 42.059 -0.629 0.000 0.941 90 L HN 0.288 nan 8.230 nan 0.000 0.451 91 A N -0.012 122.628 122.820 -0.301 0.000 3.029 91 A HA 0.130 4.409 4.320 -0.068 0.000 0.251 91 A C 1.254 178.786 177.584 -0.087 0.000 1.749 91 A CA 0.328 52.077 52.037 -0.479 0.000 1.386 91 A CB -0.656 18.010 19.000 -0.556 0.000 1.043 91 A HN 0.368 nan 8.150 nan 0.000 0.638 92 S N -0.617 115.130 115.700 0.078 0.000 2.575 92 S HA 0.370 4.799 4.470 -0.068 0.000 0.237 92 S C 0.883 175.587 174.600 0.173 0.000 0.975 92 S CA 0.074 58.350 58.200 0.128 0.000 0.960 92 S CB 0.048 63.300 63.200 0.086 0.000 0.822 92 S HN 0.749 nan 8.310 nan 0.000 0.472 93 G N 1.522 110.531 108.800 0.348 0.000 2.544 93 G HA2 0.498 4.417 3.960 -0.068 0.000 0.242 93 G HA3 0.498 4.417 3.960 -0.068 0.000 0.242 93 G C -0.129 174.750 174.900 -0.035 0.000 1.247 93 G CA 0.124 45.276 45.100 0.087 0.000 0.840 93 G HN 1.042 nan 8.290 nan 0.000 0.578 94 V N -0.944 118.939 119.914 -0.052 0.000 3.182 94 V HA 1.032 5.111 4.120 -0.068 0.000 0.308 94 V C 0.558 176.618 176.094 -0.056 0.000 1.240 94 V CA -0.068 62.202 62.300 -0.050 0.000 1.063 94 V CB 1.118 32.932 31.823 -0.014 0.000 1.076 94 V HN 2.574 nan 8.190 nan 0.000 0.446 95 G N 0.443 109.218 108.800 -0.042 0.000 2.712 95 G HA2 0.065 3.984 3.960 -0.068 0.000 0.683 95 G HA3 0.065 3.984 3.960 -0.068 0.000 0.683 95 G C -2.737 172.140 174.900 -0.039 0.000 1.320 95 G CA -0.303 44.777 45.100 -0.033 0.000 0.847 95 G HN 1.145 nan 8.290 nan 0.000 0.553 96 P HA 0.391 nan 4.420 nan 0.000 0.266 96 P C 0.888 178.171 177.300 -0.029 0.000 1.195 96 P CA 0.486 63.575 63.100 -0.019 0.000 0.768 96 P CB 0.765 32.463 31.700 -0.003 0.000 0.838 97 V N 1.691 121.588 119.914 -0.029 0.000 3.096 97 V HA 0.148 4.227 4.120 -0.068 0.000 0.306 97 V C 0.702 176.789 176.094 -0.012 0.000 1.088 97 V CA -0.643 61.634 62.300 -0.038 0.000 1.129 97 V CB -0.510 31.294 31.823 -0.031 0.000 1.014 97 V HN 0.299 nan 8.190 nan 0.000 0.486 98 L N 2.463 123.676 121.223 -0.018 0.000 2.461 98 L HA 0.271 4.570 4.340 -0.068 0.000 0.272 98 L C 0.574 177.464 176.870 0.033 0.000 1.197 98 L CA -0.276 54.566 54.840 0.003 0.000 0.836 98 L CB 0.215 42.267 42.059 -0.013 0.000 1.105 98 L HN 1.023 nan 8.230 nan 0.000 0.477 99 D N -0.046 120.390 120.400 0.060 0.000 2.368 99 D HA -0.104 4.495 4.640 -0.068 0.000 0.240 99 D C 0.726 177.117 176.300 0.152 0.000 1.169 99 D CA -0.448 53.621 54.000 0.114 0.000 0.906 99 D CB 0.536 41.409 40.800 0.123 0.000 1.187 99 D HN 0.552 nan 8.370 nan 0.000 0.435 100 W N 1.461 122.765 121.300 0.007 0.000 2.280 100 W HA -0.333 4.285 4.660 -0.070 0.000 0.332 100 W C 2.185 178.699 176.519 -0.008 0.000 1.300 100 W CA 3.035 60.384 57.345 0.006 0.000 1.274 100 W CB -0.879 28.586 29.460 0.010 0.000 1.141 100 W HN 0.461 nan 8.180 nan 0.000 0.474 101 T N -0.349 114.346 114.554 0.235 0.000 2.746 101 T HA -0.212 4.097 4.350 -0.068 0.000 0.267 101 T C 1.557 176.191 174.700 -0.110 0.000 1.039 101 T CA 2.336 64.427 62.100 -0.015 0.000 1.142 101 T CB -0.910 68.035 68.868 0.127 0.000 0.866 101 T HN 0.206 nan 8.240 nan 0.000 0.444 102 T N 1.965 116.509 114.554 -0.016 0.000 2.777 102 T HA 0.019 4.328 4.350 -0.068 0.000 0.266 102 T C 2.430 177.088 174.700 -0.071 0.000 1.040 102 T CA 1.089 63.175 62.100 -0.022 0.000 1.141 102 T CB -0.531 68.351 68.868 0.024 0.000 0.868 102 T HN 0.428 nan 8.240 nan 0.000 0.444 103 A N 1.788 124.554 122.820 -0.091 0.000 1.902 103 A HA -0.116 4.163 4.320 -0.068 0.000 0.217 103 A C 2.378 179.859 177.584 -0.171 0.000 1.181 103 A CA 1.424 53.393 52.037 -0.114 0.000 0.623 103 A CB -0.469 18.466 19.000 -0.108 0.000 0.818 103 A HN 0.406 nan 8.150 nan 0.000 0.443 104 R N -0.591 119.741 120.500 -0.280 0.000 2.092 104 R HA -0.002 4.297 4.340 -0.068 0.000 0.231 104 R C 2.431 178.600 176.300 -0.217 0.000 1.119 104 R CA 1.052 56.960 56.100 -0.319 0.000 0.970 104 R CB -0.421 29.543 30.300 -0.561 0.000 0.864 104 R HN 0.505 nan 8.270 nan 0.000 0.440 105 A N 1.183 123.893 122.820 -0.183 0.000 1.933 105 A HA -0.200 4.079 4.320 -0.068 0.000 0.218 105 A C 2.121 179.652 177.584 -0.088 0.000 1.175 105 A CA 1.390 53.354 52.037 -0.122 0.000 0.628 105 A CB -0.460 18.493 19.000 -0.079 0.000 0.814 105 A HN 0.340 nan 8.150 nan 0.000 0.444 106 M N -0.318 119.232 119.600 -0.083 0.000 2.086 106 M HA -0.119 4.320 4.480 -0.068 0.000 0.261 106 M C 1.884 178.144 176.300 -0.067 0.000 1.067 106 M CA 1.983 57.245 55.300 -0.062 0.000 1.116 106 M CB -0.233 32.333 32.600 -0.057 0.000 1.348 106 M HN 0.188 nan 8.290 nan 0.000 0.407 107 V N 1.121 120.983 119.914 -0.086 0.000 2.287 107 V HA -0.278 3.801 4.120 -0.068 0.000 0.248 107 V C 2.436 178.488 176.094 -0.070 0.000 1.053 107 V CA 1.784 64.038 62.300 -0.077 0.000 1.027 107 V CB -0.992 30.776 31.823 -0.091 0.000 0.646 107 V HN 0.602 nan 8.190 nan 0.000 0.447 108 L N 1.073 122.245 121.223 -0.085 0.000 2.046 108 L HA -0.102 4.197 4.340 -0.068 0.000 0.208 108 L C 2.450 179.283 176.870 -0.061 0.000 1.077 108 L CA 2.431 57.226 54.840 -0.076 0.000 0.747 108 L CB -1.080 40.925 42.059 -0.090 0.000 0.896 108 L HN 0.217 nan 8.230 nan 0.000 0.432 109 A N -0.397 122.388 122.820 -0.058 0.000 1.908 109 A HA -0.275 4.004 4.320 -0.068 0.000 0.218 109 A C 2.479 180.040 177.584 -0.039 0.000 1.181 109 A CA 1.926 53.935 52.037 -0.048 0.000 0.627 109 A CB -0.632 18.343 19.000 -0.041 0.000 0.818 109 A HN 0.504 nan 8.150 nan 0.000 0.445 110 R N -0.727 119.752 120.500 -0.036 0.000 2.075 110 R HA -0.057 4.242 4.340 -0.068 0.000 0.232 110 R C 1.929 178.215 176.300 -0.024 0.000 1.126 110 R CA 1.478 57.563 56.100 -0.025 0.000 0.963 110 R CB -0.631 29.653 30.300 -0.026 0.000 0.858 110 R HN 0.438 nan 8.270 nan 0.000 0.435 111 L N -0.133 121.071 121.223 -0.032 0.000 2.017 111 L HA -0.097 4.202 4.340 -0.068 0.000 0.208 111 L C 1.923 178.776 176.870 -0.028 0.000 1.073 111 L CA 1.643 56.465 54.840 -0.030 0.000 0.745 111 L CB -0.543 41.494 42.059 -0.037 0.000 0.894 111 L HN 0.066 nan 8.230 nan 0.000 0.432 112 V N -1.006 118.886 119.914 -0.037 0.000 2.392 112 V HA -0.281 3.798 4.120 -0.068 0.000 0.249 112 V C 2.773 178.850 176.094 -0.028 0.000 1.059 112 V CA 1.803 64.080 62.300 -0.039 0.000 1.051 112 V CB -0.846 30.942 31.823 -0.057 0.000 0.658 112 V HN 0.640 nan 8.190 nan 0.000 0.455 113 S N -0.281 115.404 115.700 -0.024 0.000 2.356 113 S HA -0.155 4.274 4.470 -0.068 0.000 0.223 113 S C 1.926 176.524 174.600 -0.003 0.000 1.032 113 S CA 1.757 59.948 58.200 -0.015 0.000 1.005 113 S CB -0.355 62.838 63.200 -0.011 0.000 0.867 113 S HN 0.521 nan 8.310 nan 0.000 0.449 114 I N 1.711 122.280 120.570 -0.001 0.000 2.264 114 I HA -0.171 3.958 4.170 -0.068 0.000 0.248 114 I C 2.631 178.752 176.117 0.005 0.000 1.111 114 I CA 1.071 62.377 61.300 0.009 0.000 1.382 114 I CB -0.445 37.557 38.000 0.003 0.000 1.060 114 I HN 0.376 nan 8.210 nan 0.000 0.418 115 A N -0.000 122.817 122.820 -0.004 0.000 2.125 115 A HA -0.181 4.098 4.320 -0.068 0.000 0.219 115 A C 2.064 179.649 177.584 0.002 0.000 1.156 115 A CA 1.088 53.123 52.037 -0.004 0.000 0.671 115 A CB -0.291 18.703 19.000 -0.011 0.000 0.794 115 A HN 0.398 nan 8.150 nan 0.000 0.459 116 Q N -1.046 118.757 119.800 0.005 0.000 2.435 116 Q HA 0.093 4.392 4.340 -0.068 0.000 0.207 116 Q C 1.178 177.188 176.000 0.016 0.000 0.956 116 Q CA 0.740 56.548 55.803 0.009 0.000 0.917 116 Q CB -0.571 28.170 28.738 0.005 0.000 0.997 116 Q HN 1.022 nan 8.270 nan 0.000 0.497 117 G N 0.620 109.432 108.800 0.021 0.000 2.256 117 G HA2 -0.186 3.733 3.960 -0.068 0.000 0.272 117 G HA3 -0.186 3.733 3.960 -0.068 0.000 0.272 117 G C 0.445 175.380 174.900 0.058 0.000 1.076 117 G CA 0.414 45.533 45.100 0.031 0.000 0.882 117 G HN 0.527 nan 8.290 nan 0.000 0.497 118 A N -1.111 121.755 122.820 0.076 0.000 2.671 118 A HA 0.715 4.994 4.320 -0.068 0.000 0.265 118 A C 1.684 179.390 177.584 0.202 0.000 1.148 118 A CA 1.381 53.490 52.037 0.120 0.000 0.977 118 A CB 0.254 19.283 19.000 0.049 0.000 1.242 118 A HN 0.772 nan 8.150 nan 0.000 0.591 119 S N -1.043 114.768 115.700 0.186 0.000 2.492 119 S HA 0.356 4.785 4.470 -0.068 0.000 0.218 119 S C 1.570 176.347 174.600 0.296 0.000 1.016 119 S CA 0.785 59.121 58.200 0.226 0.000 0.916 119 S CB 0.343 63.609 63.200 0.110 0.000 0.791 119 S HN 1.688 nan 8.310 nan 0.000 0.513 120 G N 1.798 110.693 108.800 0.159 0.000 2.162 120 G HA2 -0.227 3.692 3.960 -0.068 0.000 0.260 120 G HA3 -0.227 3.692 3.960 -0.068 0.000 0.260 120 G C 0.209 175.092 174.900 -0.027 0.000 0.976 120 G CA 0.031 45.116 45.100 -0.025 0.000 0.655 120 G HN 0.880 nan 8.290 nan 0.000 0.533 121 A N 0.436 123.260 122.820 0.007 0.000 2.511 121 A HA 0.618 4.897 4.320 -0.068 0.000 0.242 121 A C 1.140 178.677 177.584 -0.078 0.000 1.069 121 A CA 1.009 53.033 52.037 -0.022 0.000 0.763 121 A CB 0.208 19.203 19.000 -0.008 0.000 1.001 121 A HN 2.010 nan 8.150 nan 0.000 0.498 122 S N 1.780 117.399 115.700 -0.135 0.000 2.614 122 S HA 0.186 4.615 4.470 -0.068 0.000 0.265 122 S C 0.747 175.241 174.600 -0.176 0.000 1.303 122 S CA 0.044 58.092 58.200 -0.253 0.000 1.000 122 S CB 0.725 63.585 63.200 -0.567 0.000 0.935 122 S HN 0.721 nan 8.310 nan 0.000 0.551 123 E N 1.599 121.696 120.200 -0.173 0.000 2.097 123 E HA -0.148 4.161 4.350 -0.068 0.000 0.196 123 E C 2.141 178.691 176.600 -0.084 0.000 1.000 123 E CA 1.308 57.647 56.400 -0.102 0.000 0.804 123 E CB -0.792 28.858 29.700 -0.083 0.000 0.740 123 E HN 0.904 nan 8.360 nan 0.000 0.454 124 G N 0.556 109.294 108.800 -0.103 0.000 2.418 124 G HA2 -0.275 3.644 3.960 -0.068 0.000 0.217 124 G HA3 -0.275 3.644 3.960 -0.068 0.000 0.217 124 G C 1.642 176.518 174.900 -0.040 0.000 1.158 124 G CA 1.317 46.385 45.100 -0.054 0.000 0.771 124 G HN 0.189 nan 8.290 nan 0.000 0.545 125 T N 1.350 115.871 114.554 -0.055 0.000 2.684 125 T HA -0.079 4.230 4.350 -0.068 0.000 0.267 125 T C 2.387 177.070 174.700 -0.028 0.000 1.036 125 T CA 1.108 63.189 62.100 -0.032 0.000 1.148 125 T CB -0.181 68.666 68.868 -0.035 0.000 0.863 125 T HN 0.254 nan 8.240 nan 0.000 0.436 126 I N 1.215 121.763 120.570 -0.037 0.000 2.226 126 I HA -0.168 3.961 4.170 -0.068 0.000 0.245 126 I C 2.880 178.982 176.117 -0.024 0.000 1.100 126 I CA 1.042 62.325 61.300 -0.029 0.000 1.374 126 I CB -0.455 37.526 38.000 -0.033 0.000 1.057 126 I HN 0.189 nan 8.210 nan 0.000 0.413 127 A N 0.739 123.544 122.820 -0.024 0.000 1.972 127 A HA -0.171 4.108 4.320 -0.068 0.000 0.219 127 A C 2.332 179.911 177.584 -0.009 0.000 1.169 127 A CA 1.248 53.275 52.037 -0.017 0.000 0.635 127 A CB -0.377 18.613 19.000 -0.016 0.000 0.810 127 A HN 0.244 nan 8.150 nan 0.000 0.446 128 R N -0.184 120.313 120.500 -0.005 0.000 2.092 128 R HA -0.019 4.280 4.340 -0.068 0.000 0.231 128 R C 2.019 178.324 176.300 0.008 0.000 1.119 128 R CA 1.169 57.274 56.100 0.008 0.000 0.970 128 R CB -0.984 29.325 30.300 0.016 0.000 0.864 128 R HN 0.601 nan 8.270 nan 0.000 0.440 129 L N 0.088 121.308 121.223 -0.005 0.000 2.056 129 L HA -0.083 4.216 4.340 -0.068 0.000 0.207 129 L C 2.494 179.352 176.870 -0.020 0.000 1.078 129 L CA 1.076 55.907 54.840 -0.014 0.000 0.749 129 L CB -0.468 41.577 42.059 -0.023 0.000 0.901 129 L HN 0.060 nan 8.230 nan 0.000 0.433 130 I N 0.074 120.632 120.570 -0.019 0.000 2.179 130 I HA -0.296 3.833 4.170 -0.068 0.000 0.242 130 I C 2.141 178.248 176.117 -0.016 0.000 1.088 130 I CA 1.253 62.541 61.300 -0.021 0.000 1.357 130 I CB -0.381 37.608 38.000 -0.019 0.000 1.051 130 I HN 0.266 nan 8.210 nan 0.000 0.409 131 D N 0.714 121.109 120.400 -0.009 0.000 2.123 131 D HA -0.185 4.414 4.640 -0.068 0.000 0.196 131 D C 2.118 178.416 176.300 -0.003 0.000 0.992 131 D CA 0.967 54.964 54.000 -0.006 0.000 0.833 131 D CB -0.358 40.440 40.800 -0.003 0.000 0.954 131 D HN 0.161 nan 8.370 nan 0.000 0.455 132 L N 0.724 121.950 121.223 0.005 0.000 2.017 132 L HA -0.131 4.168 4.340 -0.068 0.000 0.208 132 L C 2.107 178.962 176.870 -0.025 0.000 1.073 132 L CA 1.389 56.238 54.840 0.016 0.000 0.745 132 L CB -0.843 41.240 42.059 0.039 0.000 0.894 132 L HN 0.102 nan 8.230 nan 0.000 0.432 133 L N 0.061 121.256 121.223 -0.047 0.000 2.141 133 L HA -0.191 4.108 4.340 -0.068 0.000 0.209 133 L C 1.867 178.711 176.870 -0.044 0.000 1.094 133 L CA 0.852 55.646 54.840 -0.077 0.000 0.763 133 L CB -0.536 41.477 42.059 -0.076 0.000 0.908 133 L HN 0.366 nan 8.230 nan 0.000 0.437 134 N N -0.414 118.275 118.700 -0.018 0.000 2.398 134 N HA -0.010 4.689 4.740 -0.068 0.000 0.188 134 N C 0.832 176.354 175.510 0.020 0.000 1.122 134 N CA 0.326 53.376 53.050 0.001 0.000 0.866 134 N CB 0.199 38.685 38.487 -0.002 0.000 0.970 134 N HN 0.335 nan 8.380 nan 0.000 0.462 135 S N -0.156 115.558 115.700 0.024 0.000 2.719 135 S HA 0.315 4.744 4.470 -0.068 0.000 0.285 135 S C 0.766 175.442 174.600 0.127 0.000 1.137 135 S CA -0.485 57.744 58.200 0.047 0.000 1.012 135 S CB 1.570 64.781 63.200 0.019 0.000 1.134 135 S HN -0.100 nan 8.310 nan 0.000 0.544 136 E N 0.045 120.345 120.200 0.167 0.000 2.463 136 E HA 0.345 4.654 4.350 -0.068 0.000 0.193 136 E C -0.054 176.859 176.600 0.522 0.000 1.041 136 E CA 0.003 56.596 56.400 0.322 0.000 0.879 136 E CB -0.169 29.622 29.700 0.152 0.000 0.997 136 E HN 0.511 nan 8.360 nan 0.000 0.478 137 L N -0.157 121.271 121.223 0.343 0.000 2.335 137 L HA 0.750 5.049 4.340 -0.068 0.000 0.268 137 L C 0.041 177.017 176.870 0.177 0.000 1.016 137 L CA -1.086 53.981 54.840 0.378 0.000 0.805 137 L CB 1.398 43.559 42.059 0.171 0.000 1.311 137 L HN -0.181 nan 8.230 nan 0.000 0.456 138 A N 0.826 123.773 122.820 0.212 0.000 2.549 138 A HA 0.780 5.059 4.320 -0.068 0.000 0.297 138 A C -2.812 174.836 177.584 0.106 0.000 1.061 138 A CA -1.341 50.669 52.037 -0.044 0.000 0.690 138 A CB 1.846 20.623 19.000 -0.371 0.000 1.287 138 A HN 0.377 nan 8.150 nan 0.000 0.402 139 P HA 0.381 nan 4.420 nan 0.000 0.275 139 P C -0.321 176.885 177.300 -0.156 0.000 1.228 139 P CA 0.088 63.030 63.100 -0.265 0.000 0.786 139 P CB 1.309 32.855 31.700 -0.257 0.000 0.927 140 A N 3.390 126.100 122.820 -0.185 0.000 2.316 140 A HA 0.501 4.780 4.320 -0.068 0.000 0.311 140 A C 0.205 177.719 177.584 -0.117 0.000 1.339 140 A CA -0.483 51.500 52.037 -0.090 0.000 0.960 140 A CB -0.417 18.552 19.000 -0.051 0.000 1.152 140 A HN 0.445 nan 8.150 nan 0.000 0.547 141 V N 1.045 120.894 119.914 -0.109 0.000 2.540 141 V HA 0.752 4.831 4.120 -0.068 0.000 0.302 141 V C -2.816 173.169 176.094 -0.182 0.000 1.035 141 V CA -2.628 59.582 62.300 -0.150 0.000 0.873 141 V CB 1.829 33.597 31.823 -0.091 0.000 0.992 141 V HN 0.643 nan 8.190 nan 0.000 0.428 142 P HA 0.104 nan 4.420 nan 0.000 0.266 142 P C 0.840 178.053 177.300 -0.146 0.000 1.195 142 P CA 0.450 63.405 63.100 -0.242 0.000 0.768 142 P CB 1.325 32.808 31.700 -0.361 0.000 0.838 143 S N 2.748 118.399 115.700 -0.083 0.000 2.470 143 S HA 0.018 4.447 4.470 -0.068 0.000 0.225 143 S C 0.852 175.434 174.600 -0.029 0.000 1.006 143 S CA 0.120 58.294 58.200 -0.043 0.000 0.934 143 S CB -0.090 63.098 63.200 -0.021 0.000 0.778 143 S HN 0.405 nan 8.310 nan 0.000 0.517 144 R N -0.282 120.197 120.500 -0.035 0.000 2.720 144 R HA 0.635 4.934 4.340 -0.068 0.000 0.272 144 R C 0.839 177.135 176.300 -0.007 0.000 0.991 144 R CA -0.005 56.086 56.100 -0.014 0.000 1.010 144 R CB 1.478 31.773 30.300 -0.010 0.000 1.141 144 R HN 0.319 nan 8.270 nan 0.000 0.494 145 G N 0.093 108.899 108.800 0.011 0.000 2.705 145 G HA2 -0.214 3.705 3.960 -0.068 0.000 0.193 145 G HA3 -0.214 3.705 3.960 -0.068 0.000 0.193 145 G C 0.103 175.021 174.900 0.030 0.000 1.015 145 G CA -0.082 45.034 45.100 0.027 0.000 0.743 145 G HN 0.599 nan 8.290 nan 0.000 0.476 146 T N 0.793 115.361 114.554 0.024 0.000 2.907 146 T HA 0.526 4.835 4.350 -0.068 0.000 0.284 146 T C 1.460 176.176 174.700 0.027 0.000 1.004 146 T CA 0.502 62.615 62.100 0.022 0.000 1.063 146 T CB 1.623 70.501 68.868 0.015 0.000 0.992 146 T HN 1.166 nan 8.240 nan 0.000 0.483 147 V N 1.250 121.181 119.914 0.029 0.000 3.542 147 V HA 0.604 4.683 4.120 -0.068 0.000 0.296 147 V C 1.122 177.244 176.094 0.047 0.000 1.364 147 V CA 0.230 62.554 62.300 0.039 0.000 1.118 147 V CB -1.267 30.581 31.823 0.042 0.000 0.972 147 V HN 1.350 nan 8.190 nan 0.000 0.430 153 L N -0.274 120.914 121.223 -0.059 0.000 2.046 153 L HA -0.142 4.157 4.340 -0.068 0.000 0.208 153 L C 2.370 179.182 176.870 -0.096 0.000 1.077 153 L CA 1.437 56.218 54.840 -0.098 0.000 0.747 153 L CB -0.636 41.340 42.059 -0.138 0.000 0.896 153 L HN 0.101 nan 8.230 nan 0.000 0.432 154 T N 0.562 115.086 114.554 -0.050 0.000 2.622 154 T HA -0.097 4.212 4.350 -0.068 0.000 0.266 154 T C -0.417 174.338 174.700 0.092 0.000 1.047 154 T CA 1.819 63.919 62.100 0.001 0.000 1.159 154 T CB -1.187 67.712 68.868 0.051 0.000 0.863 154 T HN 0.313 nan 8.240 nan 0.000 0.422 155 P HA 0.011 nan 4.420 nan 0.000 0.218 155 P C 1.526 178.849 177.300 0.039 0.000 1.149 155 P CA 0.984 64.127 63.100 0.071 0.000 0.817 155 P CB -0.217 31.488 31.700 0.009 0.000 0.785 156 L N -0.785 120.430 121.223 -0.013 0.000 2.217 156 L HA -0.033 4.266 4.340 -0.068 0.000 0.211 156 L C 2.746 179.570 176.870 -0.076 0.000 1.107 156 L CA 1.145 55.959 54.840 -0.044 0.000 0.783 156 L CB -0.902 41.124 42.059 -0.054 0.000 0.919 156 L HN -0.058 nan 8.230 nan 0.000 0.442 157 A N -1.027 121.723 122.820 -0.117 0.000 1.929 157 A HA -0.197 4.083 4.320 -0.068 0.000 0.216 157 A C 2.106 179.571 177.584 -0.198 0.000 1.176 157 A CA 1.099 53.013 52.037 -0.206 0.000 0.628 157 A CB -0.637 18.175 19.000 -0.313 0.000 0.816 157 A HN 0.383 nan 8.150 nan 0.000 0.444 158 H N -1.119 117.887 119.070 -0.107 0.000 2.389 158 H HA -0.087 4.428 4.556 -0.068 0.000 0.299 158 H C 2.077 177.331 175.328 -0.123 0.000 1.081 158 H CA 1.735 57.722 56.048 -0.100 0.000 1.345 158 H CB -0.229 29.479 29.762 -0.089 0.000 1.393 158 H HN 0.586 nan 8.280 nan 0.000 0.520 159 M N 0.574 120.169 119.600 -0.007 0.000 2.086 159 M HA -0.150 4.289 4.480 -0.068 0.000 0.261 159 M C 2.106 178.352 176.300 -0.090 0.000 1.067 159 M CA 1.295 56.551 55.300 -0.073 0.000 1.116 159 M CB -0.123 32.438 32.600 -0.064 0.000 1.348 159 M HN -0.007 nan 8.290 nan 0.000 0.407 160 V N 1.362 121.227 119.914 -0.083 0.000 2.287 160 V HA -0.313 3.767 4.120 -0.068 0.000 0.248 160 V C 2.457 178.507 176.094 -0.073 0.000 1.053 160 V CA 1.856 64.109 62.300 -0.078 0.000 1.027 160 V CB -0.800 30.963 31.823 -0.100 0.000 0.646 160 V HN 0.544 nan 8.190 nan 0.000 0.447 161 L N -0.840 120.332 121.223 -0.085 0.000 2.017 161 L HA -0.230 4.069 4.340 -0.068 0.000 0.208 161 L C 2.691 179.520 176.870 -0.068 0.000 1.073 161 L CA 1.784 56.589 54.840 -0.060 0.000 0.745 161 L CB -0.793 41.233 42.059 -0.056 0.000 0.894 161 L HN 0.406 nan 8.230 nan 0.000 0.432 162 C N -0.038 119.174 119.300 -0.146 0.000 2.413 162 C HA -0.176 4.243 4.460 -0.068 0.000 0.276 162 C C 2.685 177.557 174.990 -0.196 0.000 1.236 162 C CA 0.497 59.315 59.018 -0.334 0.000 1.735 162 C CB -0.945 26.436 27.740 -0.599 0.000 2.031 162 C HN 0.443 nan 8.230 nan 0.000 0.474 163 L N 0.343 121.520 121.223 -0.077 0.000 2.353 163 L HA -0.176 4.123 4.340 -0.068 0.000 0.220 163 L C 2.404 179.342 176.870 0.112 0.000 1.133 163 L CA 1.285 56.184 54.840 0.098 0.000 0.798 163 L CB -0.664 41.422 42.059 0.045 0.000 0.922 163 L HN 0.548 nan 8.230 nan 0.000 0.445 164 Q N -0.474 119.362 119.800 0.060 0.000 2.360 164 Q HA 0.129 4.429 4.340 -0.068 0.000 0.202 164 Q C 1.374 177.427 176.000 0.087 0.000 0.915 164 Q CA 0.505 56.343 55.803 0.058 0.000 0.943 164 Q CB 0.675 29.427 28.738 0.024 0.000 1.064 164 Q HN 0.544 nan 8.270 nan 0.000 0.511 165 G N 1.767 110.650 108.800 0.139 0.000 2.141 165 G HA2 -0.304 3.615 3.960 -0.068 0.000 0.242 165 G HA3 -0.304 3.615 3.960 -0.068 0.000 0.242 165 G C 0.528 175.494 174.900 0.110 0.000 0.982 165 G CA 0.013 45.217 45.100 0.174 0.000 0.662 165 G HN 0.308 nan 8.290 nan 0.000 0.527 166 R N 0.199 120.736 120.500 0.062 0.000 2.552 166 R HA 0.482 4.781 4.340 -0.068 0.000 0.314 166 R C 0.948 177.257 176.300 0.015 0.000 1.041 166 R CA 0.504 56.628 56.100 0.040 0.000 1.076 166 R CB 0.734 31.057 30.300 0.038 0.000 1.290 166 R HN 0.554 nan 8.270 nan 0.000 0.563 167 G N -0.307 108.488 108.800 -0.008 0.000 2.698 167 G HA2 0.201 4.120 3.960 -0.068 0.000 0.293 167 G HA3 0.201 4.120 3.960 -0.068 0.000 0.293 167 G C -1.476 173.365 174.900 -0.098 0.000 1.437 167 G CA -0.709 44.357 45.100 -0.056 0.000 0.852 167 G HN -0.114 nan 8.290 nan 0.000 0.499 168 D N -0.559 119.797 120.400 -0.073 0.000 2.363 168 D HA 0.568 5.167 4.640 -0.068 0.000 0.240 168 D C -0.450 175.751 176.300 -0.165 0.000 1.236 168 D CA 0.631 54.622 54.000 -0.015 0.000 0.927 168 D CB 0.721 41.534 40.800 0.020 0.000 1.150 168 D HN 0.112 nan 8.370 nan 0.000 0.458 169 F N -0.826 119.148 119.950 0.041 0.000 2.611 169 F HA 0.531 5.017 4.527 -0.069 0.000 0.324 169 F C -0.325 175.522 175.800 0.079 0.000 1.061 169 F CA -0.887 57.145 58.000 0.054 0.000 0.954 169 F CB 1.253 40.286 39.000 0.054 0.000 1.301 169 F HN -0.061 nan 8.300 nan 0.000 0.482 170 L N 1.654 123.087 121.223 0.351 0.000 2.381 170 L HA 0.433 4.732 4.340 -0.068 0.000 0.268 170 L C -0.999 176.107 176.870 0.394 0.000 0.997 170 L CA -1.031 53.991 54.840 0.304 0.000 0.818 170 L CB 1.904 44.140 42.059 0.295 0.000 1.310 170 L HN 0.587 nan 8.230 nan 0.000 0.416 171 D N 1.512 122.037 120.400 0.209 0.000 2.466 171 D HA 0.204 4.803 4.640 -0.068 0.000 0.262 171 D C 0.772 176.911 176.300 -0.269 0.000 1.177 171 D CA -0.597 53.446 54.000 0.071 0.000 1.035 171 D CB 0.945 41.739 40.800 -0.009 0.000 1.105 171 D HN 0.362 nan 8.370 nan 0.000 0.551 172 R N -0.618 119.465 120.500 -0.696 0.000 2.170 172 R HA -0.111 4.188 4.340 -0.068 0.000 0.242 172 R C 0.583 176.548 176.300 -0.559 0.000 1.145 172 R CA 1.435 56.811 56.100 -1.207 0.000 0.984 172 R CB -0.121 29.588 30.300 -0.985 0.000 0.869 172 R HN 0.519 nan 8.270 nan 0.000 0.455 173 D N -1.152 119.074 120.400 -0.290 0.000 2.340 173 D HA 0.067 4.666 4.640 -0.068 0.000 0.220 173 D C 1.116 177.378 176.300 -0.064 0.000 1.039 173 D CA 0.849 54.761 54.000 -0.146 0.000 0.866 173 D CB 0.755 41.494 40.800 -0.103 0.000 0.913 173 D HN 0.424 nan 8.370 nan 0.000 0.523 174 G N 1.700 110.481 108.800 -0.032 0.000 2.179 174 G HA2 -0.281 3.638 3.960 -0.068 0.000 0.260 174 G HA3 -0.281 3.638 3.960 -0.068 0.000 0.260 174 G C 0.640 175.567 174.900 0.045 0.000 0.977 174 G CA 0.585 45.712 45.100 0.045 0.000 0.641 174 G HN 0.435 nan 8.290 nan 0.000 0.533 175 T N -0.716 113.853 114.554 0.025 0.000 2.851 175 T HA 0.601 4.910 4.350 -0.068 0.000 0.298 175 T C 0.523 175.260 174.700 0.061 0.000 0.977 175 T CA -0.338 61.781 62.100 0.031 0.000 1.126 175 T CB 1.251 70.126 68.868 0.012 0.000 0.916 175 T HN 0.499 nan 8.240 nan 0.000 0.529 176 R N 2.434 122.971 120.500 0.061 0.000 2.357 176 R HA 0.567 4.866 4.340 -0.068 0.000 0.296 176 R C -0.290 176.062 176.300 0.087 0.000 1.052 176 R CA -0.594 55.556 56.100 0.082 0.000 0.988 176 R CB 0.719 31.056 30.300 0.062 0.000 1.025 176 R HN 0.605 nan 8.270 nan 0.000 0.469 177 L N 2.005 123.306 121.223 0.130 0.000 2.342 177 L HA 0.353 4.652 4.340 -0.068 0.000 0.271 177 L C -0.180 176.789 176.870 0.164 0.000 1.008 177 L CA -1.305 53.612 54.840 0.128 0.000 0.818 177 L CB 1.806 43.943 42.059 0.130 0.000 1.296 177 L HN 0.657 nan 8.230 nan 0.000 0.427 178 D N 0.834 121.310 120.400 0.127 0.000 2.358 178 D HA 0.138 4.737 4.640 -0.068 0.000 0.244 178 D C 1.216 177.642 176.300 0.210 0.000 1.163 178 D CA -0.123 53.957 54.000 0.133 0.000 0.945 178 D CB 0.946 41.796 40.800 0.083 0.000 1.152 178 D HN 0.581 nan 8.370 nan 0.000 0.451 179 G N 0.201 109.123 108.800 0.205 0.000 2.599 179 G HA2 -0.329 3.590 3.960 -0.068 0.000 0.219 179 G HA3 -0.329 3.590 3.960 -0.068 0.000 0.219 179 G C 1.486 176.523 174.900 0.227 0.000 1.193 179 G CA 2.232 47.503 45.100 0.286 0.000 0.778 179 G HN 0.734 nan 8.290 nan 0.000 0.589 180 A N 0.612 123.504 122.820 0.120 0.000 1.865 180 A HA -0.108 4.171 4.320 -0.068 0.000 0.217 180 A C 2.238 179.834 177.584 0.020 0.000 1.191 180 A CA 2.462 54.536 52.037 0.061 0.000 0.623 180 A CB -0.590 18.436 19.000 0.044 0.000 0.826 180 A HN 0.442 nan 8.150 nan 0.000 0.444 181 E N 0.121 120.338 120.200 0.028 0.000 2.118 181 E HA -0.070 4.239 4.350 -0.068 0.000 0.195 181 E C 1.955 178.502 176.600 -0.088 0.000 0.992 181 E CA 1.673 58.067 56.400 -0.010 0.000 0.804 181 E CB -0.891 28.820 29.700 0.019 0.000 0.741 181 E HN 0.418 nan 8.360 nan 0.000 0.458 182 G N 0.700 109.422 108.800 -0.130 0.000 2.421 182 G HA2 -0.219 3.700 3.960 -0.068 0.000 0.216 182 G HA3 -0.219 3.700 3.960 -0.068 0.000 0.216 182 G C 1.639 176.131 174.900 -0.680 0.000 1.171 182 G CA 0.950 45.688 45.100 -0.603 0.000 0.775 182 G HN 0.317 nan 8.290 nan 0.000 0.543 183 L N -0.207 120.773 121.223 -0.404 0.000 2.046 183 L HA -0.060 4.239 4.340 -0.068 0.000 0.208 183 L C 2.948 179.722 176.870 -0.160 0.000 1.077 183 L CA 1.306 56.007 54.840 -0.232 0.000 0.747 183 L CB -0.454 41.571 42.059 -0.056 0.000 0.896 183 L HN 0.196 nan 8.230 nan 0.000 0.432 184 R N 0.625 121.055 120.500 -0.117 0.000 2.075 184 R HA -0.192 4.107 4.340 -0.068 0.000 0.230 184 R C 2.521 178.769 176.300 -0.087 0.000 1.140 184 R CA 1.724 57.778 56.100 -0.077 0.000 0.928 184 R CB -0.255 30.016 30.300 -0.048 0.000 0.834 184 R HN 0.179 nan 8.270 nan 0.000 0.429 185 R N -0.490 119.948 120.500 -0.102 0.000 2.127 185 R HA -0.103 4.196 4.340 -0.068 0.000 0.238 185 R C 1.868 178.111 176.300 -0.094 0.000 1.134 185 R CA 1.788 57.837 56.100 -0.085 0.000 0.975 185 R CB -0.427 29.826 30.300 -0.078 0.000 0.865 185 R HN 0.429 nan 8.270 nan 0.000 0.447 186 G N -0.507 108.201 108.800 -0.152 0.000 2.985 186 G HA2 -0.045 3.874 3.960 -0.068 0.000 0.209 186 G HA3 -0.045 3.874 3.960 -0.068 0.000 0.209 186 G C -0.162 174.683 174.900 -0.091 0.000 1.165 186 G CA -0.210 44.812 45.100 -0.129 0.000 0.776 186 G HN 0.338 nan 8.290 nan 0.000 0.541 187 R N -1.018 119.430 120.500 -0.086 0.000 3.267 187 R HA -0.134 4.165 4.340 -0.068 0.000 0.254 187 R C -0.688 175.581 176.300 -0.052 0.000 0.993 187 R CA 0.251 56.317 56.100 -0.056 0.000 0.670 187 R CB -2.262 28.016 30.300 -0.036 0.000 1.125 187 R HN 0.337 nan 8.270 nan 0.000 0.434 188 L N 0.354 121.536 121.223 -0.070 0.000 2.330 188 L HA 0.425 4.724 4.340 -0.068 0.000 0.271 188 L C 0.701 177.559 176.870 -0.020 0.000 1.013 188 L CA -1.109 53.704 54.840 -0.045 0.000 0.816 188 L CB 1.543 43.564 42.059 -0.064 0.000 1.287 188 L HN 0.024 nan 8.230 nan 0.000 0.435 189 Q N 2.533 122.334 119.800 0.001 0.000 2.235 189 Q HA 0.375 4.674 4.340 -0.068 0.000 0.250 189 Q C -2.315 173.704 176.000 0.031 0.000 0.909 189 Q CA -1.785 54.025 55.803 0.012 0.000 0.910 189 Q CB 1.700 30.444 28.738 0.011 0.000 1.223 189 Q HN 0.297 nan 8.270 nan 0.000 0.432 190 P HA 0.014 nan 4.420 nan 0.000 0.271 190 P C -0.259 177.067 177.300 0.042 0.000 1.216 190 P CA -0.518 62.612 63.100 0.050 0.000 0.771 190 P CB 0.579 32.305 31.700 0.044 0.000 0.864 191 L N 3.474 124.725 121.223 0.046 0.000 2.513 191 L HA 0.140 4.440 4.340 -0.068 0.000 0.272 191 L C 0.116 177.002 176.870 0.027 0.000 1.187 191 L CA 0.847 55.707 54.840 0.032 0.000 0.895 191 L CB -0.533 41.541 42.059 0.024 0.000 1.147 191 L HN 0.330 nan 8.230 nan 0.000 0.483 192 D N 5.268 125.688 120.400 0.033 0.000 2.440 192 D HA 0.194 4.793 4.640 -0.068 0.000 0.239 192 D C -0.052 176.283 176.300 0.059 0.000 1.084 192 D CA -0.296 53.728 54.000 0.042 0.000 0.843 192 D CB 1.005 41.837 40.800 0.054 0.000 1.097 192 D HN 0.661 nan 8.370 nan 0.000 0.531 193 L N 3.282 124.528 121.223 0.039 0.000 2.783 193 L HA 0.050 4.349 4.340 -0.068 0.000 0.236 193 L C 2.104 179.006 176.870 0.054 0.000 1.225 193 L CA -0.154 54.714 54.840 0.047 0.000 1.026 193 L CB -0.054 42.011 42.059 0.009 0.000 1.314 193 L HN 0.331 nan 8.230 nan 0.000 0.489 194 S N -1.995 113.735 115.700 0.049 0.000 2.440 194 S HA -0.224 4.205 4.470 -0.068 0.000 0.238 194 S C 1.481 176.035 174.600 -0.077 0.000 1.010 194 S CA 1.014 59.196 58.200 -0.030 0.000 0.972 194 S CB -0.456 62.692 63.200 -0.087 0.000 0.774 194 S HN 0.536 nan 8.310 nan 0.000 0.501 195 H N 1.559 120.622 119.070 -0.012 0.000 2.556 195 H HA 0.345 4.861 4.556 -0.068 0.000 0.268 195 H C 0.569 175.888 175.328 -0.015 0.000 0.996 195 H CA 0.467 56.505 56.048 -0.017 0.000 1.157 195 H CB -0.144 29.604 29.762 -0.022 0.000 1.355 195 H HN 0.370 nan 8.280 nan 0.000 0.597 196 R N 0.863 121.412 120.500 0.082 0.000 3.532 196 R HA -0.131 4.168 4.340 -0.068 0.000 0.284 196 R C -0.779 175.566 176.300 0.075 0.000 1.140 196 R CA 0.826 56.963 56.100 0.061 0.000 0.768 196 R CB -1.816 28.510 30.300 0.043 0.000 1.252 196 R HN 0.535 nan 8.270 nan 0.000 0.454 197 D N -1.049 119.398 120.400 0.078 0.000 2.525 197 D HA 0.237 4.836 4.640 -0.068 0.000 0.229 197 D C 1.217 177.551 176.300 0.058 0.000 1.202 197 D CA 0.301 54.342 54.000 0.069 0.000 0.828 197 D CB 0.353 41.178 40.800 0.041 0.000 1.008 197 D HN 0.285 nan 8.370 nan 0.000 0.493 198 A N 0.386 123.235 122.820 0.049 0.000 1.972 198 A HA -0.106 4.173 4.320 -0.068 0.000 0.219 198 A C 1.882 179.476 177.584 0.017 0.000 1.169 198 A CA 0.793 52.837 52.037 0.012 0.000 0.635 198 A CB -0.480 18.511 19.000 -0.015 0.000 0.810 198 A HN 0.281 nan 8.150 nan 0.000 0.446 199 L N -0.692 120.574 121.223 0.072 0.000 2.551 199 L HA 0.022 4.321 4.340 -0.068 0.000 0.228 199 L C 2.550 179.474 176.870 0.089 0.000 1.153 199 L CA 1.174 56.070 54.840 0.093 0.000 0.851 199 L CB -0.486 41.682 42.059 0.182 0.000 0.959 199 L HN 0.383 nan 8.230 nan 0.000 0.451 200 A N -1.308 121.560 122.820 0.079 0.000 2.123 200 A HA 0.099 4.378 4.320 -0.068 0.000 0.214 200 A C 2.094 179.694 177.584 0.028 0.000 1.152 200 A CA 0.824 52.902 52.037 0.068 0.000 0.728 200 A CB -0.154 18.885 19.000 0.065 0.000 0.814 200 A HN 0.377 nan 8.150 nan 0.000 0.464 201 L N -1.040 120.187 121.223 0.007 0.000 2.362 201 L HA 0.122 4.421 4.340 -0.068 0.000 0.204 201 L C 0.139 176.989 176.870 -0.034 0.000 1.060 201 L CA 0.288 55.118 54.840 -0.018 0.000 0.827 201 L CB 0.205 42.245 42.059 -0.030 0.000 1.027 201 L HN 0.038 nan 8.230 nan 0.000 0.474 202 V N 2.140 122.025 119.914 -0.048 0.000 2.221 202 V HA 0.334 4.413 4.120 -0.068 0.000 0.258 202 V C -0.415 175.654 176.094 -0.042 0.000 1.179 202 V CA -0.134 62.118 62.300 -0.080 0.000 1.022 202 V CB -0.459 31.271 31.823 -0.154 0.000 1.228 202 V HN 0.339 nan 8.190 nan 0.000 0.487 203 N N 1.810 120.500 118.700 -0.016 0.000 3.185 203 N HA 0.512 5.211 4.740 -0.068 0.000 0.238 203 N C 0.013 175.546 175.510 0.038 0.000 1.451 203 N CA 0.575 53.638 53.050 0.023 0.000 0.888 203 N CB 2.247 40.767 38.487 0.055 0.000 1.413 203 N HN 0.723 nan 8.380 nan 0.000 0.511 204 G N 0.006 108.861 108.800 0.092 0.000 2.641 204 G HA2 -0.254 3.665 3.960 -0.068 0.000 0.254 204 G HA3 -0.254 3.665 3.960 -0.068 0.000 0.254 204 G C 0.258 175.204 174.900 0.075 0.000 1.315 204 G CA 0.562 45.719 45.100 0.095 0.000 0.907 204 G HN 1.175 nan 8.290 nan 0.000 0.572 205 T N -3.085 111.500 114.554 0.051 0.000 3.258 205 T HA 0.563 4.872 4.350 -0.068 0.000 0.263 205 T C 1.847 176.553 174.700 0.011 0.000 0.983 205 T CA 0.954 63.076 62.100 0.037 0.000 0.907 205 T CB 0.387 69.276 68.868 0.034 0.000 1.096 205 T HN 0.814 nan 8.240 nan 0.000 0.556 206 S N 1.858 117.560 115.700 0.003 0.000 2.365 206 S HA -0.112 4.317 4.470 -0.068 0.000 0.225 206 S C 2.498 177.090 174.600 -0.013 0.000 1.039 206 S CA 1.405 59.597 58.200 -0.012 0.000 1.033 206 S CB -0.706 62.483 63.200 -0.018 0.000 0.887 206 S HN 0.841 nan 8.310 nan 0.000 0.447 207 A N 2.679 125.494 122.820 -0.008 0.000 1.858 207 A HA -0.124 4.155 4.320 -0.068 0.000 0.216 207 A C 2.300 179.887 177.584 0.004 0.000 1.190 207 A CA 1.932 53.965 52.037 -0.006 0.000 0.617 207 A CB -0.846 18.152 19.000 -0.004 0.000 0.827 207 A HN 0.675 nan 8.150 nan 0.000 0.443 208 M N -1.530 118.077 119.600 0.013 0.000 2.159 208 M HA -0.091 4.348 4.480 -0.068 0.000 0.263 208 M C 1.804 178.114 176.300 0.016 0.000 1.063 208 M CA 2.327 57.639 55.300 0.021 0.000 1.110 208 M CB -1.298 31.318 32.600 0.026 0.000 1.374 208 M HN 0.171 nan 8.290 nan 0.000 0.411 209 T N 1.141 115.695 114.554 0.001 0.000 2.777 209 T HA 0.006 4.315 4.350 -0.068 0.000 0.266 209 T C 1.959 176.659 174.700 -0.001 0.000 1.040 209 T CA 1.645 63.737 62.100 -0.013 0.000 1.141 209 T CB -0.728 68.123 68.868 -0.028 0.000 0.868 209 T HN 0.720 nan 8.240 nan 0.000 0.444 210 G N 1.318 110.116 108.800 -0.004 0.000 2.404 210 G HA2 -0.118 3.801 3.960 -0.068 0.000 0.215 210 G HA3 -0.118 3.801 3.960 -0.068 0.000 0.215 210 G C 1.526 176.441 174.900 0.025 0.000 1.174 210 G CA 0.464 45.561 45.100 -0.005 0.000 0.780 210 G HN 0.484 nan 8.290 nan 0.000 0.537 211 I N 1.459 122.048 120.570 0.032 0.000 2.226 211 I HA -0.187 3.942 4.170 -0.068 0.000 0.245 211 I C 3.267 179.437 176.117 0.088 0.000 1.100 211 I CA 1.053 62.386 61.300 0.055 0.000 1.374 211 I CB -0.186 37.843 38.000 0.049 0.000 1.057 211 I HN 0.241 nan 8.210 nan 0.000 0.413 212 A N 1.258 124.133 122.820 0.092 0.000 1.930 212 A HA -0.164 4.116 4.320 -0.068 0.000 0.217 212 A C 2.244 179.936 177.584 0.180 0.000 1.175 212 A CA 1.722 53.853 52.037 0.156 0.000 0.627 212 A CB -0.801 18.271 19.000 0.120 0.000 0.815 212 A HN 0.505 nan 8.150 nan 0.000 0.443 213 L N -1.696 119.597 121.223 0.117 0.000 2.201 213 L HA -0.009 4.290 4.340 -0.068 0.000 0.212 213 L C 1.939 178.920 176.870 0.186 0.000 1.105 213 L CA 1.650 56.568 54.840 0.129 0.000 0.775 213 L CB -1.108 40.995 42.059 0.073 0.000 0.913 213 L HN 0.015 nan 8.230 nan 0.000 0.440 214 V N 0.750 120.773 119.914 0.182 0.000 2.453 214 V HA -0.151 3.928 4.120 -0.068 0.000 0.247 214 V C 2.446 178.664 176.094 0.207 0.000 1.048 214 V CA 1.648 64.095 62.300 0.246 0.000 1.049 214 V CB -0.977 30.958 31.823 0.187 0.000 0.672 214 V HN 0.498 nan 8.190 nan 0.000 0.457 215 N N 0.946 119.740 118.700 0.156 0.000 2.120 215 N HA -0.127 4.572 4.740 -0.068 0.000 0.188 215 N C 1.925 177.484 175.510 0.082 0.000 1.024 215 N CA 1.693 54.810 53.050 0.112 0.000 0.852 215 N CB -0.547 37.987 38.487 0.078 0.000 1.003 215 N HN 0.480 nan 8.380 nan 0.000 0.424 216 A N 0.404 123.296 122.820 0.120 0.000 1.883 216 A HA -0.220 4.059 4.320 -0.068 0.000 0.217 216 A C 2.128 179.737 177.584 0.042 0.000 1.186 216 A CA 1.924 54.018 52.037 0.094 0.000 0.624 216 A CB -0.990 18.125 19.000 0.192 0.000 0.822 216 A HN 0.454 nan 8.150 nan 0.000 0.444 217 H N -0.248 118.797 119.070 -0.043 0.000 2.353 217 H HA 0.062 4.580 4.556 -0.064 0.000 0.300 217 H C 2.194 177.454 175.328 -0.113 0.000 1.090 217 H CA 1.890 57.829 56.048 -0.183 0.000 1.327 217 H CB -0.235 29.257 29.762 -0.450 0.000 1.383 217 H HN 0.397 nan 8.280 nan 0.000 0.508 218 A N -0.412 122.434 122.820 0.044 0.000 1.902 218 A HA -0.171 4.108 4.320 -0.068 0.000 0.217 218 A C 2.673 180.253 177.584 -0.007 0.000 1.181 218 A CA 1.451 53.520 52.037 0.053 0.000 0.623 218 A CB -1.176 17.890 19.000 0.110 0.000 0.818 218 A HN 0.643 nan 8.150 nan 0.000 0.443 219 C N -1.297 118.016 119.300 0.021 0.000 2.432 219 C HA -0.007 4.412 4.460 -0.068 0.000 0.280 219 C C 2.761 177.747 174.990 -0.007 0.000 1.353 219 C CA 1.083 60.158 59.018 0.095 0.000 1.766 219 C CB -1.353 26.472 27.740 0.142 0.000 1.924 219 C HN 0.733 nan 8.230 nan 0.000 0.509 220 R N -0.048 120.345 120.500 -0.178 0.000 2.066 220 R HA -0.116 4.183 4.340 -0.068 0.000 0.232 220 R C 2.260 178.363 176.300 -0.328 0.000 1.131 220 R CA 1.492 57.404 56.100 -0.313 0.000 0.955 220 R CB -0.413 29.597 30.300 -0.483 0.000 0.851 220 R HN 0.588 nan 8.270 nan 0.000 0.432 221 H N 0.575 119.514 119.070 -0.219 0.000 2.326 221 H HA -0.082 4.432 4.556 -0.070 0.000 0.301 221 H C 2.181 177.493 175.328 -0.028 0.000 1.081 221 H CA 1.660 57.624 56.048 -0.139 0.000 1.334 221 H CB -0.204 29.475 29.762 -0.138 0.000 1.385 221 H HN 0.240 nan 8.280 nan 0.000 0.504 222 L N -0.169 121.026 121.223 -0.046 0.000 2.083 222 L HA -0.089 4.210 4.340 -0.068 0.000 0.209 222 L C 2.749 179.464 176.870 -0.260 0.000 1.083 222 L CA 1.055 55.679 54.840 -0.361 0.000 0.752 222 L CB -0.779 40.678 42.059 -1.002 0.000 0.899 222 L HN 0.300 nan 8.230 nan 0.000 0.433 223 G N -0.088 108.706 108.800 -0.011 0.000 2.422 223 G HA2 -0.248 3.671 3.960 -0.068 0.000 0.218 223 G HA3 -0.248 3.671 3.960 -0.068 0.000 0.218 223 G C 1.405 176.414 174.900 0.182 0.000 1.146 223 G CA 0.513 45.799 45.100 0.309 0.000 0.769 223 G HN 0.320 nan 8.290 nan 0.000 0.547 224 N N 0.057 118.747 118.700 -0.017 0.000 2.188 224 N HA -0.083 4.616 4.740 -0.068 0.000 0.184 224 N C 1.857 177.281 175.510 -0.143 0.000 1.018 224 N CA 0.828 53.807 53.050 -0.119 0.000 0.858 224 N CB -0.315 38.034 38.487 -0.229 0.000 0.989 224 N HN 0.571 nan 8.380 nan 0.000 0.426 225 W N 1.670 122.927 121.300 -0.071 0.000 2.388 225 W HA 0.052 4.663 4.660 -0.082 0.000 0.294 225 W C 2.516 179.011 176.519 -0.040 0.000 1.212 225 W CA 1.133 58.431 57.345 -0.079 0.000 1.271 225 W CB -0.382 28.986 29.460 -0.155 0.000 1.126 225 W HN 0.030 nan 8.180 nan 0.000 0.535 226 A N -0.204 122.737 122.820 0.202 0.000 1.933 226 A HA -0.173 4.106 4.320 -0.068 0.000 0.218 226 A C 1.991 179.657 177.584 0.137 0.000 1.175 226 A CA 2.117 54.282 52.037 0.214 0.000 0.628 226 A CB -1.076 18.137 19.000 0.355 0.000 0.814 226 A HN 0.101 nan 8.150 nan 0.000 0.444 227 V N -0.355 119.627 119.914 0.114 0.000 2.323 227 V HA -0.190 3.889 4.120 -0.068 0.000 0.244 227 V C 3.070 179.149 176.094 -0.025 0.000 1.041 227 V CA 1.835 64.147 62.300 0.020 0.000 1.025 227 V CB -1.187 30.657 31.823 0.035 0.000 0.656 227 V HN 0.613 nan 8.190 nan 0.000 0.451 228 A N -0.102 122.697 122.820 -0.036 0.000 1.883 228 A HA -0.176 4.103 4.320 -0.068 0.000 0.217 228 A C 2.184 179.788 177.584 0.035 0.000 1.186 228 A CA 1.916 53.921 52.037 -0.054 0.000 0.624 228 A CB -0.580 18.304 19.000 -0.193 0.000 0.822 228 A HN 0.513 nan 8.150 nan 0.000 0.444 229 L N -1.000 120.284 121.223 0.102 0.000 2.156 229 L HA -0.113 4.186 4.340 -0.068 0.000 0.208 229 L C 2.675 179.608 176.870 0.105 0.000 1.095 229 L CA 1.525 56.440 54.840 0.126 0.000 0.770 229 L CB -0.903 41.252 42.059 0.160 0.000 0.914 229 L HN 0.324 nan 8.230 nan 0.000 0.439 230 T N 0.106 114.712 114.554 0.087 0.000 2.777 230 T HA -0.125 4.184 4.350 -0.068 0.000 0.266 230 T C 2.058 176.863 174.700 0.176 0.000 1.040 230 T CA 1.321 63.482 62.100 0.102 0.000 1.141 230 T CB -0.117 68.760 68.868 0.016 0.000 0.868 230 T HN 0.437 nan 8.240 nan 0.000 0.444 231 A N 1.228 124.116 122.820 0.113 0.000 1.898 231 A HA 0.020 4.299 4.320 -0.068 0.000 0.216 231 A C 2.198 179.902 177.584 0.200 0.000 1.181 231 A CA 1.109 53.276 52.037 0.217 0.000 0.620 231 A CB -0.772 18.288 19.000 0.100 0.000 0.819 231 A HN 0.391 nan 8.150 nan 0.000 0.442 232 L N -0.699 120.599 121.223 0.125 0.000 2.141 232 L HA -0.079 4.220 4.340 -0.068 0.000 0.209 232 L C 2.199 179.127 176.870 0.096 0.000 1.094 232 L CA 1.748 56.647 54.840 0.098 0.000 0.763 232 L CB -0.670 41.437 42.059 0.080 0.000 0.908 232 L HN 0.386 nan 8.230 nan 0.000 0.437 233 L N -0.209 121.082 121.223 0.112 0.000 2.046 233 L HA -0.102 4.197 4.340 -0.068 0.000 0.208 233 L C 2.476 179.406 176.870 0.099 0.000 1.077 233 L CA 2.044 56.941 54.840 0.096 0.000 0.747 233 L CB -0.970 41.155 42.059 0.110 0.000 0.896 233 L HN 0.249 nan 8.230 nan 0.000 0.432 234 A N -0.808 122.104 122.820 0.153 0.000 1.933 234 A HA -0.204 4.075 4.320 -0.068 0.000 0.218 234 A C 2.119 179.728 177.584 0.042 0.000 1.175 234 A CA 1.762 53.853 52.037 0.089 0.000 0.628 234 A CB -0.598 18.468 19.000 0.109 0.000 0.814 234 A HN 0.645 nan 8.150 nan 0.000 0.444 235 E N -1.159 119.081 120.200 0.066 0.000 2.347 235 E HA -0.103 4.206 4.350 -0.068 0.000 0.196 235 E C 1.514 178.131 176.600 0.028 0.000 1.008 235 E CA 0.838 57.264 56.400 0.042 0.000 0.852 235 E CB -0.227 29.505 29.700 0.053 0.000 0.783 235 E HN 0.669 nan 8.360 nan 0.000 0.505 236 C N 0.007 119.326 119.300 0.031 0.000 2.634 236 C HA 0.181 4.600 4.460 -0.068 0.000 0.268 236 C C 1.714 176.708 174.990 0.008 0.000 1.322 236 C CA 0.023 59.051 59.018 0.017 0.000 1.737 236 C CB -0.204 27.545 27.740 0.016 0.000 1.976 236 C HN 0.328 nan 8.230 nan 0.000 0.547 237 L N -0.346 120.882 121.223 0.008 0.000 3.229 237 L HA 0.286 4.585 4.340 -0.068 0.000 0.286 237 L C 0.384 177.245 176.870 -0.014 0.000 1.239 237 L CA -0.054 54.784 54.840 -0.003 0.000 1.035 237 L CB -0.187 41.873 42.059 0.003 0.000 1.408 237 L HN 0.190 nan 8.230 nan 0.000 0.593 238 R N 0.571 121.061 120.500 -0.016 0.000 3.422 238 R HA -0.142 4.157 4.340 -0.068 0.000 0.267 238 R C 0.678 176.945 176.300 -0.056 0.000 1.074 238 R CA 0.428 56.511 56.100 -0.028 0.000 0.718 238 R CB -2.031 28.255 30.300 -0.022 0.000 1.157 238 R HN 0.480 nan 8.270 nan 0.000 0.440 239 G N 0.728 109.481 108.800 -0.078 0.000 2.554 239 G HA2 0.168 4.087 3.960 -0.068 0.000 0.238 239 G HA3 0.168 4.087 3.960 -0.068 0.000 0.238 239 G C 0.094 174.852 174.900 -0.236 0.000 1.259 239 G CA -0.509 44.498 45.100 -0.156 0.000 0.843 239 G HN 0.228 nan 8.290 nan 0.000 0.582 240 R N 0.382 120.710 120.500 -0.287 0.000 2.254 240 R HA 0.254 4.553 4.340 -0.068 0.000 0.318 240 R C 1.474 177.465 176.300 -0.514 0.000 1.031 240 R CA 0.179 56.107 56.100 -0.286 0.000 0.905 240 R CB 0.951 31.139 30.300 -0.187 0.000 1.050 240 R HN 0.691 nan 8.270 nan 0.000 0.456 241 T N -1.482 112.833 114.554 -0.399 0.000 3.088 241 T HA -0.096 4.213 4.350 -0.068 0.000 0.259 241 T C 1.383 175.946 174.700 -0.227 0.000 1.122 241 T CA 0.600 62.450 62.100 -0.417 0.000 1.095 241 T CB -0.006 68.765 68.868 -0.162 0.000 0.930 241 T HN 0.745 nan 8.240 nan 0.000 0.508 242 E N 1.799 121.898 120.200 -0.168 0.000 2.204 242 E HA -0.005 4.304 4.350 -0.068 0.000 0.195 242 E C 2.197 178.771 176.600 -0.042 0.000 0.990 242 E CA 0.898 57.255 56.400 -0.071 0.000 0.821 242 E CB -0.533 29.139 29.700 -0.048 0.000 0.750 242 E HN 0.593 nan 8.360 nan 0.000 0.477 243 A N 0.712 123.462 122.820 -0.117 0.000 2.119 243 A HA -0.074 4.205 4.320 -0.068 0.000 0.217 243 A C 0.975 178.701 177.584 0.237 0.000 1.153 243 A CA 0.597 52.634 52.037 0.001 0.000 0.692 243 A CB -0.588 18.381 19.000 -0.051 0.000 0.799 243 A HN 0.484 nan 8.150 nan 0.000 0.458 244 W N -0.309 120.993 121.300 0.003 0.000 3.239 244 W HA 0.596 5.231 4.660 -0.042 0.000 0.368 244 W C 0.855 177.377 176.519 0.005 0.000 1.154 244 W CA -1.067 56.281 57.345 0.005 0.000 1.860 244 W CB -1.297 28.169 29.460 0.010 0.000 1.094 244 W HN 0.338 nan 8.180 nan 0.000 0.643 245 A N 0.857 123.789 122.820 0.188 0.000 2.498 245 A HA 0.422 4.701 4.320 -0.068 0.000 0.239 245 A C 1.693 179.332 177.584 0.090 0.000 1.068 245 A CA 0.698 52.801 52.037 0.110 0.000 0.766 245 A CB 0.556 19.593 19.000 0.062 0.000 1.003 245 A HN 0.249 nan 8.150 nan 0.000 0.497 246 A N 2.273 125.133 122.820 0.067 0.000 1.972 246 A HA 0.129 4.408 4.320 -0.068 0.000 0.219 246 A C 2.344 179.950 177.584 0.036 0.000 1.169 246 A CA 2.210 54.276 52.037 0.048 0.000 0.635 246 A CB -0.935 18.087 19.000 0.036 0.000 0.810 246 A HN 1.745 nan 8.150 nan 0.000 0.446 247 A N -0.194 122.646 122.820 0.032 0.000 1.940 247 A HA -0.085 4.194 4.320 -0.068 0.000 0.219 247 A C 2.136 179.733 177.584 0.022 0.000 1.176 247 A CA 1.538 53.588 52.037 0.022 0.000 0.631 247 A CB -0.539 18.472 19.000 0.018 0.000 0.814 247 A HN 0.495 nan 8.150 nan 0.000 0.446 248 L N -0.657 120.585 121.223 0.033 0.000 2.093 248 L HA -0.132 4.167 4.340 -0.068 0.000 0.208 248 L C 2.818 179.704 176.870 0.028 0.000 1.085 248 L CA 1.341 56.200 54.840 0.032 0.000 0.755 248 L CB -0.408 41.680 42.059 0.048 0.000 0.904 248 L HN 0.332 nan 8.230 nan 0.000 0.435 249 S N -0.309 115.412 115.700 0.035 0.000 2.368 249 S HA -0.178 4.251 4.470 -0.068 0.000 0.225 249 S C 1.479 176.085 174.600 0.010 0.000 1.030 249 S CA 1.298 59.516 58.200 0.029 0.000 0.999 249 S CB -0.265 62.956 63.200 0.034 0.000 0.844 249 S HN 0.451 nan 8.310 nan 0.000 0.459 250 D N 1.336 121.740 120.400 0.007 0.000 2.219 250 D HA 0.003 4.602 4.640 -0.068 0.000 0.205 250 D C 1.686 177.976 176.300 -0.016 0.000 0.970 250 D CA 0.656 54.653 54.000 -0.005 0.000 0.851 250 D CB -0.192 40.608 40.800 -0.000 0.000 0.943 250 D HN 0.343 nan 8.370 nan 0.000 0.488 251 L N -0.460 120.756 121.223 -0.012 0.000 2.313 251 L HA 0.038 4.337 4.340 -0.068 0.000 0.214 251 L C 1.525 178.373 176.870 -0.037 0.000 1.119 251 L CA 0.464 55.292 54.840 -0.019 0.000 0.809 251 L CB 0.197 42.251 42.059 -0.009 0.000 0.933 251 L HN -0.194 nan 8.230 nan 0.000 0.449 252 R N 0.754 121.229 120.500 -0.041 0.000 2.644 252 R HA 0.188 4.487 4.340 -0.068 0.000 0.271 252 R C -2.176 174.056 176.300 -0.113 0.000 1.687 252 R CA -1.326 54.725 56.100 -0.082 0.000 1.655 252 R CB 0.897 31.189 30.300 -0.012 0.000 1.285 252 R HN -0.156 nan 8.270 nan 0.000 0.643 253 P HA -0.105 nan 4.420 nan 0.000 0.311 253 P C -0.645 176.588 177.300 -0.112 0.000 1.543 253 P CA 0.323 63.357 63.100 -0.109 0.000 0.766 253 P CB -0.347 31.299 31.700 -0.090 0.000 1.711 254 H N 0.779 119.851 119.070 0.003 0.000 2.848 254 H HA 0.086 4.601 4.556 -0.067 0.000 0.317 254 H C -1.290 174.051 175.328 0.023 0.000 1.046 254 H CA -1.515 54.538 56.048 0.008 0.000 1.470 254 H CB 0.479 30.242 29.762 0.000 0.000 1.483 254 H HN 0.083 nan 8.280 nan 0.000 0.548 255 P HA -0.163 nan 4.420 nan 0.000 0.215 255 P C 1.646 179.020 177.300 0.123 0.000 1.157 255 P CA 1.703 64.866 63.100 0.104 0.000 0.874 255 P CB 0.130 31.885 31.700 0.092 0.000 0.790 256 G N -0.502 108.389 108.800 0.152 0.000 2.422 256 G HA2 -0.295 3.624 3.960 -0.068 0.000 0.218 256 G HA3 -0.295 3.624 3.960 -0.068 0.000 0.218 256 G C 1.673 176.677 174.900 0.172 0.000 1.146 256 G CA 0.663 45.885 45.100 0.203 0.000 0.769 256 G HN 0.324 nan 8.290 nan 0.000 0.547 257 Q N 0.079 119.946 119.800 0.111 0.000 2.083 257 Q HA -0.043 4.256 4.340 -0.068 0.000 0.198 257 Q C 2.465 178.502 176.000 0.062 0.000 0.969 257 Q CA 1.423 57.264 55.803 0.062 0.000 0.838 257 Q CB -0.186 28.601 28.738 0.081 0.000 0.900 257 Q HN 0.504 nan 8.270 nan 0.000 0.436 258 K N 0.193 120.637 120.400 0.074 0.000 2.063 258 K HA -0.229 4.050 4.320 -0.068 0.000 0.208 258 K C 1.622 178.252 176.600 0.050 0.000 1.048 258 K CA 1.893 58.212 56.287 0.053 0.000 0.928 258 K CB -0.140 32.388 32.500 0.046 0.000 0.713 258 K HN 0.185 nan 8.250 nan 0.000 0.442 259 D N -0.181 120.263 120.400 0.074 0.000 2.117 259 D HA -0.083 4.516 4.640 -0.068 0.000 0.198 259 D C 1.716 178.070 176.300 0.088 0.000 0.982 259 D CA 1.433 55.475 54.000 0.069 0.000 0.828 259 D CB -0.042 40.803 40.800 0.074 0.000 0.967 259 D HN 0.321 nan 8.370 nan 0.000 0.464 260 A N 0.548 123.461 122.820 0.155 0.000 1.883 260 A HA -0.007 4.272 4.320 -0.068 0.000 0.217 260 A C 2.378 179.920 177.584 -0.069 0.000 1.186 260 A CA 2.336 54.442 52.037 0.114 0.000 0.624 260 A CB -1.134 17.866 19.000 0.000 0.000 0.822 260 A HN 0.324 nan 8.150 nan 0.000 0.444 261 A N -0.284 122.493 122.820 -0.070 0.000 1.902 261 A HA 0.184 4.463 4.320 -0.068 0.000 0.217 261 A C 2.497 180.053 177.584 -0.047 0.000 1.181 261 A CA 2.054 54.032 52.037 -0.099 0.000 0.623 261 A CB -0.969 18.030 19.000 -0.001 0.000 0.818 261 A HN 1.056 nan 8.150 nan 0.000 0.443 262 A N -0.221 122.593 122.820 -0.009 0.000 1.930 262 A HA -0.131 4.148 4.320 -0.068 0.000 0.217 262 A C 2.226 179.800 177.584 -0.016 0.000 1.175 262 A CA 1.512 53.551 52.037 0.003 0.000 0.627 262 A CB -0.403 18.601 19.000 0.008 0.000 0.815 262 A HN 0.539 nan 8.150 nan 0.000 0.443 263 R N -0.656 119.823 120.500 -0.035 0.000 2.115 263 R HA 0.070 4.369 4.340 -0.068 0.000 0.230 263 R C 1.950 178.199 176.300 -0.085 0.000 1.111 263 R CA 1.105 57.175 56.100 -0.051 0.000 0.976 263 R CB -0.386 29.891 30.300 -0.038 0.000 0.870 263 R HN 0.489 nan 8.270 nan 0.000 0.445 264 L N 0.095 121.217 121.223 -0.169 0.000 2.056 264 L HA -0.124 4.175 4.340 -0.068 0.000 0.207 264 L C 2.493 179.343 176.870 -0.033 0.000 1.078 264 L CA 1.315 55.974 54.840 -0.302 0.000 0.749 264 L CB -0.282 41.237 42.059 -0.900 0.000 0.901 264 L HN 0.123 nan 8.230 nan 0.000 0.433 265 R N -0.084 120.453 120.500 0.061 0.000 2.081 265 R HA -0.144 4.155 4.340 -0.068 0.000 0.235 265 R C 2.390 178.746 176.300 0.095 0.000 1.131 265 R CA 1.363 57.560 56.100 0.162 0.000 0.960 265 R CB -0.530 29.849 30.300 0.131 0.000 0.856 265 R HN 0.349 nan 8.270 nan 0.000 0.436 266 A N 1.317 124.161 122.820 0.040 0.000 1.933 266 A HA -0.139 4.140 4.320 -0.068 0.000 0.218 266 A C 2.045 179.641 177.584 0.020 0.000 1.175 266 A CA 1.060 53.109 52.037 0.020 0.000 0.628 266 A CB -0.246 18.750 19.000 -0.005 0.000 0.814 266 A HN 0.104 nan 8.150 nan 0.000 0.444 267 R N -0.194 120.315 120.500 0.016 0.000 2.096 267 R HA -0.106 4.193 4.340 -0.068 0.000 0.235 267 R C 1.900 178.234 176.300 0.057 0.000 1.127 267 R CA 1.737 57.846 56.100 0.016 0.000 0.968 267 R CB -1.301 28.997 30.300 -0.002 0.000 0.861 267 R HN 0.666 nan 8.270 nan 0.000 0.440 268 V N -0.690 119.290 119.914 0.109 0.000 3.633 268 V HA 0.105 4.184 4.120 -0.068 0.000 0.283 268 V C 0.185 176.325 176.094 0.078 0.000 1.305 268 V CA -0.574 61.797 62.300 0.118 0.000 1.153 268 V CB -0.608 31.332 31.823 0.195 0.000 0.950 268 V HN -0.079 nan 8.190 nan 0.000 0.432 269 D N 1.454 121.890 120.400 0.060 0.000 2.458 269 D HA 0.412 5.012 4.640 -0.068 0.000 0.243 269 D C 1.459 177.775 176.300 0.028 0.000 1.146 269 D CA 1.863 55.887 54.000 0.039 0.000 0.877 269 D CB 0.557 41.374 40.800 0.028 0.000 1.176 269 D HN 0.571 nan 8.370 nan 0.000 0.461 270 G N 2.403 111.215 108.800 0.021 0.000 2.176 270 G HA2 -0.268 3.651 3.960 -0.068 0.000 0.253 270 G HA3 -0.268 3.651 3.960 -0.068 0.000 0.253 270 G C 0.449 175.360 174.900 0.018 0.000 0.979 270 G CA 0.366 45.475 45.100 0.016 0.000 0.641 270 G HN 0.778 nan 8.290 nan 0.000 0.530 271 S N 0.002 115.717 115.700 0.024 0.000 2.565 271 S HA 0.681 5.110 4.470 -0.068 0.000 0.274 271 S C 1.198 175.808 174.600 0.016 0.000 1.309 271 S CA 0.781 58.996 58.200 0.025 0.000 1.043 271 S CB 1.339 64.561 63.200 0.037 0.000 0.939 271 S HN 1.593 nan 8.310 nan 0.000 0.504 272 A N 5.122 127.951 122.820 0.015 0.000 2.431 272 A HA 0.342 4.621 4.320 -0.068 0.000 0.239 272 A C 1.647 179.240 177.584 0.015 0.000 1.230 272 A CA -0.339 51.706 52.037 0.013 0.000 0.928 272 A CB 0.112 19.120 19.000 0.014 0.000 1.006 272 A HN 0.707 nan 8.150 nan 0.000 0.520 273 R N -0.050 120.459 120.500 0.015 0.000 2.312 273 R HA 0.115 4.414 4.340 -0.068 0.000 0.205 273 R C 0.628 176.930 176.300 0.003 0.000 0.904 273 R CA 0.803 56.910 56.100 0.012 0.000 1.052 273 R CB -0.299 30.011 30.300 0.016 0.000 1.014 273 R HN 0.493 nan 8.270 nan 0.000 0.503 274 V N -1.739 118.173 119.914 -0.003 0.000 2.834 274 V HA 0.503 4.583 4.120 -0.068 0.000 0.313 274 V C 0.411 176.491 176.094 -0.023 0.000 1.060 274 V CA -1.002 61.280 62.300 -0.031 0.000 0.989 274 V CB 2.208 34.001 31.823 -0.050 0.000 1.041 274 V HN -0.268 nan 8.190 nan 0.000 0.459 275 V N 4.168 124.058 119.914 -0.040 0.000 2.383 275 V HA 0.452 4.531 4.120 -0.068 0.000 0.275 275 V C 1.032 177.114 176.094 -0.020 0.000 1.036 275 V CA -0.229 62.080 62.300 0.015 0.000 0.889 275 V CB 0.741 32.571 31.823 0.010 0.000 0.985 275 V HN 0.952 nan 8.190 nan 0.000 0.459 276 R N 1.520 122.010 120.500 -0.016 0.000 2.365 276 R HA 0.191 4.490 4.340 -0.068 0.000 0.223 276 R C -0.139 176.090 176.300 -0.118 0.000 0.899 276 R CA -0.217 55.823 56.100 -0.100 0.000 1.059 276 R CB 0.203 30.418 30.300 -0.143 0.000 1.086 276 R HN 0.739 nan 8.270 nan 0.000 0.522 277 H N 0.284 119.329 119.070 -0.042 0.000 2.886 277 H HA 0.049 4.564 4.556 -0.070 0.000 0.329 277 H C -0.180 175.127 175.328 -0.036 0.000 1.044 277 H CA 0.019 56.047 56.048 -0.032 0.000 1.456 277 H CB 0.750 30.495 29.762 -0.028 0.000 1.464 277 H HN -0.200 nan 8.280 nan 0.000 0.573 278 V N 6.259 126.214 119.914 0.067 0.000 2.427 278 V HA -0.048 4.031 4.120 -0.068 0.000 0.268 278 V C 1.900 178.019 176.094 0.042 0.000 1.046 278 V CA 0.046 62.365 62.300 0.032 0.000 0.970 278 V CB -0.254 31.577 31.823 0.013 0.000 1.001 278 V HN 0.831 nan 8.190 nan 0.000 0.476 279 I N 3.407 123.992 120.570 0.025 0.000 2.248 279 I HA -0.176 3.953 4.170 -0.068 0.000 0.248 279 I C 2.114 178.238 176.117 0.011 0.000 1.107 279 I CA 2.069 63.378 61.300 0.015 0.000 1.373 279 I CB -0.272 37.728 38.000 0.002 0.000 1.055 279 I HN 0.557 nan 8.210 nan 0.000 0.418 280 A N 0.896 123.722 122.820 0.010 0.000 2.172 280 A HA -0.108 4.171 4.320 -0.068 0.000 0.216 280 A C 2.151 179.741 177.584 0.010 0.000 1.154 280 A CA 1.200 53.242 52.037 0.008 0.000 0.701 280 A CB -0.534 18.470 19.000 0.007 0.000 0.789 280 A HN 0.550 nan 8.150 nan 0.000 0.465 281 E N 0.014 120.224 120.200 0.017 0.000 2.208 281 E HA -0.111 4.198 4.350 -0.068 0.000 0.193 281 E C 1.177 177.787 176.600 0.016 0.000 0.988 281 E CA 0.225 56.637 56.400 0.020 0.000 0.828 281 E CB -0.210 29.510 29.700 0.033 0.000 0.763 281 E HN 0.642 nan 8.360 nan 0.000 0.478 282 R N 1.650 122.158 120.500 0.013 0.000 2.442 282 R HA 0.075 4.374 4.340 -0.068 0.000 0.291 282 R C -0.315 175.986 176.300 0.001 0.000 1.069 282 R CA 0.013 56.115 56.100 0.004 0.000 1.022 282 R CB 0.475 30.772 30.300 -0.006 0.000 0.976 282 R HN -0.131 nan 8.270 nan 0.000 0.443 283 R N 5.247 125.747 120.500 -0.001 0.000 2.294 283 R HA 0.302 4.601 4.340 -0.068 0.000 0.319 283 R C -0.515 175.782 176.300 -0.004 0.000 0.984 283 R CA -0.649 55.450 56.100 -0.001 0.000 0.861 283 R CB 1.232 31.532 30.300 -0.000 0.000 1.104 283 R HN 0.485 nan 8.270 nan 0.000 0.451 284 L N 3.241 124.461 121.223 -0.005 0.000 2.357 284 L HA 0.300 4.599 4.340 -0.068 0.000 0.273 284 L C 0.680 177.547 176.870 -0.005 0.000 1.080 284 L CA -0.451 54.386 54.840 -0.006 0.000 0.803 284 L CB 0.749 42.804 42.059 -0.006 0.000 1.174 284 L HN 0.692 nan 8.230 nan 0.000 0.443 285 D N 1.633 122.029 120.400 -0.006 0.000 2.650 285 D HA 0.328 4.927 4.640 -0.068 0.000 0.255 285 D C 0.612 176.908 176.300 -0.005 0.000 1.135 285 D CA -0.416 53.581 54.000 -0.005 0.000 1.099 285 D CB 1.676 42.473 40.800 -0.006 0.000 1.273 285 D HN 0.446 nan 8.370 nan 0.000 0.628 286 A N -0.237 122.580 122.820 -0.005 0.000 1.933 286 A HA 0.047 4.326 4.320 -0.068 0.000 0.218 286 A C 2.006 179.586 177.584 -0.005 0.000 1.175 286 A CA 1.874 53.909 52.037 -0.005 0.000 0.628 286 A CB -1.314 17.683 19.000 -0.004 0.000 0.814 286 A HN 0.682 nan 8.150 nan 0.000 0.444 287 G N -1.159 107.638 108.800 -0.006 0.000 2.776 287 G HA2 -0.012 3.907 3.960 -0.068 0.000 0.209 287 G HA3 -0.012 3.907 3.960 -0.068 0.000 0.209 287 G C 0.808 175.703 174.900 -0.008 0.000 1.145 287 G CA 0.821 45.917 45.100 -0.007 0.000 0.791 287 G HN 0.452 nan 8.290 nan 0.000 0.530 288 D N 0.308 120.703 120.400 -0.009 0.000 2.277 288 D HA 0.020 4.620 4.640 -0.068 0.000 0.209 288 D C 1.157 177.452 176.300 -0.009 0.000 0.970 288 D CA -0.108 53.886 54.000 -0.010 0.000 0.874 288 D CB 0.396 41.190 40.800 -0.011 0.000 0.982 288 D HN 0.093 nan 8.370 nan 0.000 0.504 289 I N 1.577 122.143 120.570 -0.007 0.000 2.828 289 I HA 0.196 4.325 4.170 -0.068 0.000 0.292 289 I C 1.416 177.529 176.117 -0.007 0.000 1.206 289 I CA 1.029 62.325 61.300 -0.007 0.000 1.420 289 I CB -0.349 37.648 38.000 -0.005 0.000 1.368 289 I HN 0.047 nan 8.210 nan 0.000 0.556 290 G N 5.746 114.542 108.800 -0.007 0.000 2.398 290 G HA2 0.135 4.054 3.960 -0.068 0.000 0.251 290 G HA3 0.135 4.054 3.960 -0.068 0.000 0.251 290 G C -1.117 173.779 174.900 -0.008 0.000 1.277 290 G CA -0.660 44.435 45.100 -0.007 0.000 0.927 290 G HN 0.408 nan 8.290 nan 0.000 0.477 291 T N 1.952 116.501 114.554 -0.009 0.000 2.756 291 T HA 0.567 4.876 4.350 -0.068 0.000 0.290 291 T C -0.178 174.515 174.700 -0.011 0.000 0.985 291 T CA -0.247 61.847 62.100 -0.010 0.000 0.955 291 T CB 1.340 70.203 68.868 -0.009 0.000 0.930 291 T HN 0.451 nan 8.240 nan 0.000 0.451 292 E N 3.181 123.373 120.200 -0.013 0.000 2.318 292 E HA 0.190 4.500 4.350 -0.068 0.000 0.265 292 E C -1.278 175.312 176.600 -0.016 0.000 1.069 292 E CA -1.995 54.396 56.400 -0.015 0.000 0.893 292 E CB 0.710 30.399 29.700 -0.017 0.000 1.076 292 E HN 0.322 nan 8.360 nan 0.000 0.414 293 P HA -0.139 nan 4.420 nan 0.000 0.216 293 P C -0.602 176.687 177.300 -0.018 0.000 1.150 293 P CA 1.409 64.499 63.100 -0.017 0.000 0.837 293 P CB 0.316 32.005 31.700 -0.019 0.000 0.786 294 E N -1.859 118.330 120.200 -0.019 0.000 2.393 294 E HA 0.608 4.917 4.350 -0.068 0.000 0.273 294 E C -1.010 175.580 176.600 -0.017 0.000 0.918 294 E CA -1.158 55.230 56.400 -0.019 0.000 0.773 294 E CB 1.982 31.669 29.700 -0.021 0.000 1.275 294 E HN -0.119 nan 8.360 nan 0.000 0.451 295 A N 0.399 123.211 122.820 -0.014 0.000 2.313 295 A HA 0.465 4.744 4.320 -0.068 0.000 0.261 295 A C 1.146 178.723 177.584 -0.011 0.000 1.090 295 A CA 0.317 52.348 52.037 -0.010 0.000 0.807 295 A CB 0.109 19.106 19.000 -0.004 0.000 1.055 295 A HN 0.771 nan 8.150 nan 0.000 0.492 296 G N -0.756 108.040 108.800 -0.008 0.000 2.848 296 G HA2 0.273 4.192 3.960 -0.068 0.000 0.208 296 G HA3 0.273 4.192 3.960 -0.068 0.000 0.208 296 G C 0.424 175.318 174.900 -0.010 0.000 1.152 296 G CA 0.362 45.456 45.100 -0.011 0.000 0.789 296 G HN 0.708 nan 8.290 nan 0.000 0.531 297 Q N 0.310 120.109 119.800 -0.000 0.000 2.397 297 Q HA 0.293 4.592 4.340 -0.068 0.000 0.275 297 Q C -1.444 174.565 176.000 0.016 0.000 1.090 297 Q CA -1.026 54.782 55.803 0.007 0.000 0.809 297 Q CB 2.133 30.893 28.738 0.035 0.000 1.362 297 Q HN 0.045 nan 8.270 nan 0.000 0.431 298 D N 0.819 121.226 120.400 0.011 0.000 2.377 298 D HA 0.331 4.930 4.640 -0.068 0.000 0.245 298 D C -0.065 176.287 176.300 0.087 0.000 1.196 298 D CA -0.051 53.964 54.000 0.024 0.000 0.962 298 D CB 0.767 41.568 40.800 0.001 0.000 1.127 298 D HN 0.626 nan 8.370 nan 0.000 0.471 299 A N 0.359 123.224 122.820 0.075 0.000 2.386 299 A HA 0.011 4.290 4.320 -0.068 0.000 0.246 299 A C 0.663 178.392 177.584 0.243 0.000 1.089 299 A CA -0.117 51.975 52.037 0.092 0.000 0.790 299 A CB -0.084 18.930 19.000 0.024 0.000 1.042 299 A HN 0.533 nan 8.150 nan 0.000 0.497 300 Y N 0.929 121.246 120.300 0.028 0.000 2.256 300 Y HA -0.206 4.300 4.550 -0.074 0.000 0.288 300 Y C 2.945 178.879 175.900 0.058 0.000 1.155 300 Y CA 1.640 59.764 58.100 0.040 0.000 1.203 300 Y CB -1.318 37.157 38.460 0.024 0.000 0.980 300 Y HN 0.747 nan 8.280 nan 0.000 0.530 301 S N -0.988 114.841 115.700 0.214 0.000 2.493 301 S HA -0.124 4.305 4.470 -0.068 0.000 0.243 301 S C 1.785 176.490 174.600 0.175 0.000 0.991 301 S CA 1.190 59.482 58.200 0.152 0.000 0.957 301 S CB -0.571 62.693 63.200 0.107 0.000 0.756 301 S HN 0.466 nan 8.310 nan 0.000 0.521 302 L N -0.368 120.979 121.223 0.206 0.000 2.588 302 L HA 0.356 4.655 4.340 -0.068 0.000 0.194 302 L C 2.735 179.822 176.870 0.362 0.000 1.070 302 L CA 0.237 55.248 54.840 0.286 0.000 0.852 302 L CB -0.220 41.944 42.059 0.176 0.000 1.199 302 L HN 0.168 nan 8.230 nan 0.000 0.486 303 R N -0.054 120.576 120.500 0.218 0.000 2.096 303 R HA -0.138 4.161 4.340 -0.068 0.000 0.235 303 R C 1.515 177.913 176.300 0.163 0.000 1.127 303 R CA 1.771 57.972 56.100 0.169 0.000 0.968 303 R CB -0.191 30.172 30.300 0.104 0.000 0.861 303 R HN 0.389 nan 8.270 nan 0.000 0.440 304 C N 0.299 119.655 119.300 0.093 0.000 2.688 304 C HA 0.439 4.858 4.460 -0.068 0.000 0.297 304 C C 2.099 177.099 174.990 0.018 0.000 1.308 304 C CA -0.372 58.639 59.018 -0.011 0.000 1.726 304 C CB -0.378 27.260 27.740 -0.170 0.000 1.982 304 C HN 0.624 nan 8.230 nan 0.000 0.604 305 A N 2.603 125.477 122.820 0.090 0.000 1.908 305 A HA -0.095 4.184 4.320 -0.068 0.000 0.218 305 A C -0.014 177.486 177.584 -0.139 0.000 1.181 305 A CA 1.771 53.795 52.037 -0.021 0.000 0.627 305 A CB -1.480 17.510 19.000 -0.017 0.000 0.818 305 A HN 0.416 nan 8.150 nan 0.000 0.445 306 P HA -0.141 nan 4.420 nan 0.000 0.216 306 P C 1.274 178.504 177.300 -0.117 0.000 1.153 306 P CA 1.439 64.449 63.100 -0.151 0.000 0.848 306 P CB -0.045 31.610 31.700 -0.075 0.000 0.787 307 Q N -0.908 118.844 119.800 -0.081 0.000 2.079 307 Q HA -0.080 4.219 4.340 -0.068 0.000 0.200 307 Q C 2.130 178.052 176.000 -0.131 0.000 0.974 307 Q CA 1.250 57.002 55.803 -0.085 0.000 0.840 307 Q CB -1.408 27.287 28.738 -0.072 0.000 0.898 307 Q HN 0.092 nan 8.270 nan 0.000 0.430 308 V N 0.229 120.062 119.914 -0.135 0.000 2.323 308 V HA -0.184 3.895 4.120 -0.068 0.000 0.244 308 V C 2.056 178.003 176.094 -0.245 0.000 1.041 308 V CA 1.380 63.588 62.300 -0.153 0.000 1.025 308 V CB -0.514 31.246 31.823 -0.106 0.000 0.656 308 V HN 0.303 nan 8.190 nan 0.000 0.451 309 L N 0.476 121.508 121.223 -0.317 0.000 2.083 309 L HA -0.065 4.234 4.340 -0.068 0.000 0.209 309 L C 2.649 179.040 176.870 -0.798 0.000 1.083 309 L CA 1.668 56.140 54.840 -0.613 0.000 0.752 309 L CB -1.159 40.526 42.059 -0.623 0.000 0.899 309 L HN 0.474 nan 8.230 nan 0.000 0.433 310 G N -0.253 108.295 108.800 -0.419 0.000 2.440 310 G HA2 -0.266 3.653 3.960 -0.068 0.000 0.218 310 G HA3 -0.266 3.653 3.960 -0.068 0.000 0.218 310 G C 1.781 176.595 174.900 -0.144 0.000 1.154 310 G CA 0.837 45.816 45.100 -0.202 0.000 0.767 310 G HN 0.464 nan 8.290 nan 0.000 0.552 311 A N 0.820 123.528 122.820 -0.185 0.000 1.933 311 A HA 0.158 4.437 4.320 -0.068 0.000 0.218 311 A C 2.699 180.220 177.584 -0.104 0.000 1.175 311 A CA 2.098 54.040 52.037 -0.158 0.000 0.628 311 A CB -1.022 17.875 19.000 -0.172 0.000 0.814 311 A HN 0.530 nan 8.150 nan 0.000 0.444 312 G N -1.089 107.612 108.800 -0.164 0.000 2.418 312 G HA2 -0.125 3.794 3.960 -0.068 0.000 0.217 312 G HA3 -0.125 3.794 3.960 -0.068 0.000 0.217 312 G C 1.293 176.260 174.900 0.112 0.000 1.158 312 G CA 1.058 46.100 45.100 -0.096 0.000 0.771 312 G HN 0.376 nan 8.290 nan 0.000 0.545 313 F N 1.703 121.658 119.950 0.008 0.000 2.171 313 F HA 0.028 4.564 4.527 0.015 0.000 0.300 313 F C 2.345 178.171 175.800 0.043 0.000 1.090 313 F CA 0.455 58.472 58.000 0.028 0.000 1.293 313 F CB -0.638 38.372 39.000 0.017 0.000 1.013 313 F HN 0.113 nan 8.300 nan 0.000 0.486 314 D N -0.530 119.998 120.400 0.213 0.000 2.144 314 D HA -0.109 4.490 4.640 -0.068 0.000 0.200 314 D C 2.232 178.642 176.300 0.184 0.000 0.978 314 D CA 1.522 55.615 54.000 0.154 0.000 0.833 314 D CB -0.420 40.419 40.800 0.065 0.000 0.961 314 D HN 0.194 nan 8.370 nan 0.000 0.470 315 T N 1.259 115.912 114.554 0.164 0.000 2.708 315 T HA -0.138 4.171 4.350 -0.068 0.000 0.266 315 T C 1.906 176.774 174.700 0.280 0.000 1.037 315 T CA 0.497 62.734 62.100 0.228 0.000 1.146 315 T CB -0.274 68.680 68.868 0.143 0.000 0.865 315 T HN 0.046 nan 8.240 nan 0.000 0.435 316 L N 1.442 122.791 121.223 0.210 0.000 2.083 316 L HA 0.109 4.409 4.340 -0.068 0.000 0.209 316 L C 2.536 179.526 176.870 0.200 0.000 1.083 316 L CA 1.686 56.628 54.840 0.170 0.000 0.752 316 L CB -1.011 41.135 42.059 0.144 0.000 0.899 316 L HN 0.216 nan 8.230 nan 0.000 0.433 317 A N -1.208 121.732 122.820 0.200 0.000 1.902 317 A HA -0.262 4.017 4.320 -0.068 0.000 0.217 317 A C 2.117 179.839 177.584 0.230 0.000 1.181 317 A CA 1.625 53.767 52.037 0.175 0.000 0.623 317 A CB -1.407 17.686 19.000 0.156 0.000 0.818 317 A HN 0.729 nan 8.150 nan 0.000 0.443 318 W N 0.465 121.823 121.300 0.097 0.000 2.355 318 W HA -0.195 4.421 4.660 -0.073 0.000 0.309 318 W C 2.255 178.839 176.519 0.108 0.000 1.206 318 W CA 1.958 59.355 57.345 0.087 0.000 1.284 318 W CB -0.773 28.732 29.460 0.075 0.000 1.145 318 W HN 0.627 nan 8.180 nan 0.000 0.502 319 H N 0.212 119.217 119.070 -0.109 0.000 2.319 319 H HA -0.182 4.335 4.556 -0.065 0.000 0.297 319 H C 1.408 176.615 175.328 -0.202 0.000 1.097 319 H CA 2.461 58.336 56.048 -0.287 0.000 1.285 319 H CB -0.568 29.142 29.762 -0.087 0.000 1.368 319 H HN 0.069 nan 8.280 nan 0.000 0.495 320 D N 0.243 120.685 120.400 0.071 0.000 2.144 320 D HA -0.080 4.519 4.640 -0.068 0.000 0.200 320 D C 2.613 178.876 176.300 -0.061 0.000 0.978 320 D CA 0.641 54.655 54.000 0.023 0.000 0.833 320 D CB -0.236 40.623 40.800 0.098 0.000 0.961 320 D HN 0.395 nan 8.370 nan 0.000 0.470 321 R N 0.263 120.735 120.500 -0.046 0.000 2.073 321 R HA -0.059 4.240 4.340 -0.068 0.000 0.234 321 R C 2.329 178.568 176.300 -0.102 0.000 1.134 321 R CA 0.751 56.834 56.100 -0.028 0.000 0.952 321 R CB -0.402 29.928 30.300 0.051 0.000 0.850 321 R HN 0.106 nan 8.270 nan 0.000 0.433 322 V N 1.391 121.162 119.914 -0.239 0.000 2.307 322 V HA -0.222 3.857 4.120 -0.068 0.000 0.245 322 V C 2.230 178.177 176.094 -0.245 0.000 1.045 322 V CA 1.440 63.582 62.300 -0.264 0.000 1.024 322 V CB -0.477 31.073 31.823 -0.456 0.000 0.651 322 V HN 0.230 nan 8.190 nan 0.000 0.449 323 L N 0.122 121.152 121.223 -0.321 0.000 2.042 323 L HA -0.162 4.137 4.340 -0.068 0.000 0.210 323 L C 2.445 179.228 176.870 -0.145 0.000 1.076 323 L CA 2.439 57.120 54.840 -0.265 0.000 0.749 323 L CB -1.024 40.829 42.059 -0.343 0.000 0.893 323 L HN 0.348 nan 8.230 nan 0.000 0.432 324 T N -0.136 114.357 114.554 -0.101 0.000 2.746 324 T HA -0.165 4.144 4.350 -0.068 0.000 0.267 324 T C 1.963 176.647 174.700 -0.027 0.000 1.039 324 T CA 2.013 64.089 62.100 -0.040 0.000 1.142 324 T CB -0.312 68.573 68.868 0.029 0.000 0.866 324 T HN 0.331 nan 8.240 nan 0.000 0.444 325 I N 0.651 121.194 120.570 -0.045 0.000 2.202 325 I HA -0.147 3.982 4.170 -0.068 0.000 0.242 325 I C 2.717 178.784 176.117 -0.084 0.000 1.091 325 I CA 1.271 62.541 61.300 -0.050 0.000 1.368 325 I CB -0.299 37.650 38.000 -0.086 0.000 1.058 325 I HN 0.204 nan 8.210 nan 0.000 0.410 326 E N 1.266 121.395 120.200 -0.120 0.000 2.058 326 E HA -0.265 4.044 4.350 -0.068 0.000 0.194 326 E C 2.033 178.583 176.600 -0.084 0.000 0.997 326 E CA 1.358 57.689 56.400 -0.116 0.000 0.801 326 E CB -0.292 29.334 29.700 -0.122 0.000 0.746 326 E HN 0.307 nan 8.360 nan 0.000 0.450 327 L N 1.005 122.178 121.223 -0.083 0.000 2.042 327 L HA -0.111 4.188 4.340 -0.068 0.000 0.210 327 L C 1.220 178.045 176.870 -0.076 0.000 1.076 327 L CA 1.873 56.667 54.840 -0.078 0.000 0.749 327 L CB -0.493 41.512 42.059 -0.089 0.000 0.893 327 L HN 0.153 nan 8.230 nan 0.000 0.432 328 N N -0.051 118.606 118.700 -0.072 0.000 2.322 328 N HA 0.183 4.883 4.740 -0.068 0.000 0.194 328 N C 0.382 175.879 175.510 -0.023 0.000 1.126 328 N CA 0.648 53.669 53.050 -0.049 0.000 0.845 328 N CB 0.168 38.649 38.487 -0.010 0.000 0.976 328 N HN 0.444 nan 8.380 nan 0.000 0.475 329 A N 0.231 123.027 122.820 -0.040 0.000 2.248 329 A HA 0.593 4.872 4.320 -0.068 0.000 0.316 329 A C -0.022 177.539 177.584 -0.037 0.000 1.101 329 A CA -0.401 51.611 52.037 -0.042 0.000 0.875 329 A CB 0.983 19.942 19.000 -0.068 0.000 1.207 329 A HN -0.044 nan 8.150 nan 0.000 0.504 330 V N 1.102 120.993 119.914 -0.039 0.000 2.328 330 V HA 0.314 4.393 4.120 -0.068 0.000 0.278 330 V C 0.826 176.896 176.094 -0.041 0.000 1.021 330 V CA 0.362 62.643 62.300 -0.031 0.000 0.838 330 V CB 0.703 32.509 31.823 -0.028 0.000 0.999 330 V HN 1.029 nan 8.190 nan 0.000 0.447 331 T N -0.693 113.846 114.554 -0.023 0.000 3.145 331 T HA 0.198 4.507 4.350 -0.068 0.000 0.255 331 T C 0.163 174.881 174.700 0.029 0.000 1.039 331 T CA -0.526 61.565 62.100 -0.014 0.000 0.928 331 T CB -0.331 68.540 68.868 0.006 0.000 1.029 331 T HN 0.549 nan 8.240 nan 0.000 0.554 332 D N 2.504 122.913 120.400 0.015 0.000 2.357 332 D HA 0.491 5.090 4.640 -0.068 0.000 0.242 332 D C -0.081 176.234 176.300 0.025 0.000 1.153 332 D CA 0.042 54.066 54.000 0.040 0.000 0.918 332 D CB 0.452 41.257 40.800 0.009 0.000 1.181 332 D HN 0.312 nan 8.370 nan 0.000 0.435 333 N N 0.097 118.849 118.700 0.086 0.000 2.503 333 N HA 0.295 4.994 4.740 -0.068 0.000 0.287 333 N C -2.917 172.636 175.510 0.072 0.000 1.096 333 N CA -1.358 51.721 53.050 0.049 0.000 0.936 333 N CB 1.881 40.521 38.487 0.254 0.000 1.570 333 N HN 0.030 nan 8.380 nan 0.000 0.504 334 P HA 0.343 nan 4.420 nan 0.000 0.279 334 P C -0.920 176.061 177.300 -0.532 0.000 1.282 334 P CA -0.439 62.404 63.100 -0.428 0.000 0.788 334 P CB 0.938 32.200 31.700 -0.730 0.000 1.139 335 V N -3.949 115.563 119.914 -0.669 0.000 3.040 335 V HA 0.624 4.703 4.120 -0.068 0.000 0.312 335 V C -1.003 174.612 176.094 -0.799 0.000 1.115 335 V CA -0.938 60.991 62.300 -0.619 0.000 0.998 335 V CB 1.648 33.308 31.823 -0.272 0.000 1.042 335 V HN 0.226 nan 8.190 nan 0.000 0.433 336 F N 1.848 121.781 119.950 -0.030 0.000 2.359 336 F HA 0.607 5.093 4.527 -0.068 0.000 0.369 336 F C -2.407 173.385 175.800 -0.013 0.000 1.084 336 F CA -2.581 55.409 58.000 -0.017 0.000 1.096 336 F CB 1.257 40.254 39.000 -0.005 0.000 1.335 336 F HN 0.286 nan 8.300 nan 0.000 0.457 337 P HA -0.028 nan 4.420 nan 0.000 0.256 337 P C -1.985 175.356 177.300 0.069 0.000 1.173 337 P CA -0.543 62.588 63.100 0.052 0.000 0.768 337 P CB 0.401 32.120 31.700 0.032 0.000 0.758 338 P HA -0.182 nan 4.420 nan 0.000 0.218 338 P C 0.863 178.183 177.300 0.033 0.000 1.148 338 P CA 1.360 64.487 63.100 0.044 0.000 0.822 338 P CB -0.122 31.597 31.700 0.031 0.000 0.784 339 D N -1.451 118.966 120.400 0.027 0.000 2.378 339 D HA 0.012 4.611 4.640 -0.068 0.000 0.227 339 D C 1.423 177.739 176.300 0.025 0.000 1.012 339 D CA 0.828 54.840 54.000 0.021 0.000 0.905 339 D CB -1.309 39.500 40.800 0.015 0.000 0.895 339 D HN 0.183 nan 8.370 nan 0.000 0.532 340 G N 0.277 109.099 108.800 0.036 0.000 2.168 340 G HA2 -0.398 3.521 3.960 -0.068 0.000 0.257 340 G HA3 -0.398 3.521 3.960 -0.068 0.000 0.257 340 G C 1.243 176.164 174.900 0.036 0.000 0.997 340 G CA 1.248 46.372 45.100 0.040 0.000 0.708 340 G HN 0.650 nan 8.290 nan 0.000 0.520 341 S N -1.408 114.311 115.700 0.031 0.000 2.359 341 S HA 0.156 4.585 4.470 -0.068 0.000 0.224 341 S C 1.243 175.862 174.600 0.032 0.000 1.035 341 S CA 1.986 60.202 58.200 0.026 0.000 1.018 341 S CB -0.455 62.756 63.200 0.018 0.000 0.876 341 S HN 2.030 nan 8.310 nan 0.000 0.448 342 V N -3.403 116.535 119.914 0.041 0.000 3.078 342 V HA 0.571 4.650 4.120 -0.068 0.000 0.311 342 V C -2.475 173.665 176.094 0.078 0.000 1.138 342 V CA -2.190 60.141 62.300 0.051 0.000 1.007 342 V CB 1.231 33.079 31.823 0.042 0.000 1.045 342 V HN -0.096 nan 8.190 nan 0.000 0.432 343 P HA 0.164 nan 4.420 nan 0.000 0.216 343 P C 0.302 177.735 177.300 0.221 0.000 1.150 343 P CA 2.309 65.498 63.100 0.150 0.000 0.837 343 P CB 0.152 31.938 31.700 0.142 0.000 0.786 344 A N -2.219 120.677 122.820 0.126 0.000 2.597 344 A HA 0.623 4.902 4.320 -0.068 0.000 0.292 344 A C -1.895 175.644 177.584 -0.075 0.000 1.057 344 A CA -0.566 51.459 52.037 -0.020 0.000 0.674 344 A CB 0.374 19.334 19.000 -0.067 0.000 1.278 344 A HN -0.051 nan 8.150 nan 0.000 0.416 345 L N 1.043 122.131 121.223 -0.226 0.000 2.362 345 L HA 0.627 4.926 4.340 -0.068 0.000 0.271 345 L C -0.996 175.686 176.870 -0.313 0.000 1.002 345 L CA -0.693 54.057 54.840 -0.151 0.000 0.818 345 L CB 2.222 44.209 42.059 -0.119 0.000 1.298 345 L HN 0.852 nan 8.230 nan 0.000 0.420 346 H N 0.950 119.957 119.070 -0.106 0.000 2.505 346 H HA 0.757 5.272 4.556 -0.068 0.000 0.338 346 H C 0.131 175.393 175.328 -0.109 0.000 1.057 346 H CA -0.147 55.837 56.048 -0.106 0.000 1.202 346 H CB 1.994 31.696 29.762 -0.100 0.000 1.466 346 H HN 0.742 nan 8.280 nan 0.000 0.499 347 G N 0.632 109.400 108.800 -0.054 0.000 2.694 347 G HA2 0.443 4.362 3.960 -0.068 0.000 0.246 347 G HA3 0.443 4.362 3.960 -0.068 0.000 0.246 347 G C -0.364 174.365 174.900 -0.285 0.000 1.205 347 G CA -0.286 44.738 45.100 -0.127 0.000 0.891 347 G HN 0.675 nan 8.290 nan 0.000 0.515 348 G N 0.041 108.552 108.800 -0.483 0.000 4.716 348 G HA2 0.305 4.224 3.960 -0.068 0.000 0.282 348 G HA3 0.305 4.224 3.960 -0.068 0.000 0.282 348 G C 0.261 174.544 174.900 -1.028 0.000 1.173 348 G CA -0.132 44.285 45.100 -1.138 0.000 0.913 348 G HN 0.266 nan 8.290 nan 0.000 0.566 349 N N 0.871 119.186 118.700 -0.641 0.000 2.573 349 N HA -0.061 4.638 4.740 -0.068 0.000 0.187 349 N C 1.581 176.938 175.510 -0.255 0.000 1.107 349 N CA 0.411 53.254 53.050 -0.346 0.000 0.918 349 N CB -0.166 38.204 38.487 -0.196 0.000 0.966 349 N HN 0.631 nan 8.380 nan 0.000 0.448 350 F N -1.074 118.859 119.950 -0.028 0.000 2.780 350 F HA 0.300 4.786 4.527 -0.069 0.000 0.299 350 F C 0.852 176.651 175.800 -0.002 0.000 1.146 350 F CA -0.718 57.272 58.000 -0.017 0.000 1.428 350 F CB -0.801 38.189 39.000 -0.017 0.000 1.115 350 F HN -0.161 nan 8.300 nan 0.000 0.583 351 M N 2.765 122.393 119.600 0.046 0.000 2.435 351 M HA 0.335 4.774 4.480 -0.068 0.000 0.338 351 M C 0.978 177.337 176.300 0.098 0.000 1.628 351 M CA -0.545 54.837 55.300 0.137 0.000 1.215 351 M CB 0.081 32.681 32.600 0.000 0.000 1.905 351 M HN 0.236 nan 8.290 nan 0.000 0.457 352 G N 3.482 112.353 108.800 0.119 0.000 3.452 352 G HA2 0.031 3.951 3.960 -0.068 0.000 0.258 352 G HA3 0.031 3.951 3.960 -0.068 0.000 0.258 352 G C 0.685 175.630 174.900 0.074 0.000 1.305 352 G CA -0.196 44.956 45.100 0.087 0.000 1.514 352 G HN 0.811 nan 8.290 nan 0.000 0.593 353 Q N -0.044 119.799 119.800 0.073 0.000 2.167 353 Q HA -0.086 4.213 4.340 -0.068 0.000 0.202 353 Q C 1.910 177.891 176.000 -0.032 0.000 0.970 353 Q CA 1.419 57.231 55.803 0.016 0.000 0.855 353 Q CB -0.100 28.627 28.738 -0.019 0.000 0.911 353 Q HN 0.721 nan 8.270 nan 0.000 0.438 354 H N -1.767 117.286 119.070 -0.028 0.000 2.326 354 H HA -0.049 4.466 4.556 -0.069 0.000 0.301 354 H C 1.802 177.057 175.328 -0.121 0.000 1.081 354 H CA 1.738 57.744 56.048 -0.070 0.000 1.334 354 H CB -0.039 29.668 29.762 -0.092 0.000 1.385 354 H HN 0.062 nan 8.280 nan 0.000 0.504 355 V N 0.563 120.491 119.914 0.023 0.000 2.515 355 V HA -0.220 3.859 4.120 -0.068 0.000 0.250 355 V C 2.478 178.566 176.094 -0.010 0.000 1.058 355 V CA 1.410 63.684 62.300 -0.042 0.000 1.064 355 V CB -0.912 30.898 31.823 -0.022 0.000 0.675 355 V HN 0.565 nan 8.190 nan 0.000 0.461 356 A N -0.062 122.765 122.820 0.013 0.000 1.877 356 A HA -0.142 4.137 4.320 -0.068 0.000 0.216 356 A C 2.199 179.802 177.584 0.031 0.000 1.186 356 A CA 1.736 53.790 52.037 0.028 0.000 0.620 356 A CB -0.465 18.554 19.000 0.031 0.000 0.822 356 A HN 0.490 nan 8.150 nan 0.000 0.443 357 L N -0.192 121.040 121.223 0.015 0.000 2.109 357 L HA -0.126 4.173 4.340 -0.068 0.000 0.207 357 L C 2.975 179.901 176.870 0.093 0.000 1.086 357 L CA 1.727 56.607 54.840 0.066 0.000 0.760 357 L CB -0.850 41.261 42.059 0.087 0.000 0.910 357 L HN 0.651 nan 8.230 nan 0.000 0.437 358 T N -4.464 110.046 114.554 -0.073 0.000 2.857 358 T HA -0.093 4.217 4.350 -0.068 0.000 0.266 358 T C 2.024 176.805 174.700 0.134 0.000 1.048 358 T CA 1.248 63.250 62.100 -0.164 0.000 1.139 358 T CB -0.241 68.307 68.868 -0.533 0.000 0.874 358 T HN 0.118 nan 8.240 nan 0.000 0.455 359 S N 1.675 117.449 115.700 0.124 0.000 2.368 359 S HA -0.096 4.333 4.470 -0.068 0.000 0.224 359 S C 1.856 176.518 174.600 0.104 0.000 1.029 359 S CA 1.218 59.509 58.200 0.151 0.000 0.988 359 S CB -0.529 62.737 63.200 0.111 0.000 0.838 359 S HN 0.516 nan 8.310 nan 0.000 0.462 360 D N 1.638 122.095 120.400 0.094 0.000 2.117 360 D HA 0.010 4.609 4.640 -0.068 0.000 0.197 360 D C 2.121 178.477 176.300 0.093 0.000 0.987 360 D CA 1.181 55.230 54.000 0.082 0.000 0.829 360 D CB -0.418 40.426 40.800 0.073 0.000 0.961 360 D HN 0.372 nan 8.370 nan 0.000 0.460 361 A N 0.674 123.586 122.820 0.153 0.000 1.898 361 A HA -0.129 4.150 4.320 -0.068 0.000 0.216 361 A C 2.145 179.803 177.584 0.123 0.000 1.181 361 A CA 0.933 53.080 52.037 0.182 0.000 0.620 361 A CB -0.667 18.570 19.000 0.394 0.000 0.819 361 A HN 0.244 nan 8.150 nan 0.000 0.442 362 L N -0.243 121.046 121.223 0.110 0.000 2.093 362 L HA -0.009 4.290 4.340 -0.068 0.000 0.208 362 L C 2.634 179.492 176.870 -0.020 0.000 1.085 362 L CA 2.013 56.864 54.840 0.018 0.000 0.755 362 L CB -0.780 41.217 42.059 -0.104 0.000 0.904 362 L HN 0.339 nan 8.230 nan 0.000 0.435 363 A N -1.527 121.295 122.820 0.003 0.000 1.908 363 A HA -0.218 4.061 4.320 -0.068 0.000 0.218 363 A C 2.265 179.825 177.584 -0.040 0.000 1.181 363 A CA 2.352 54.383 52.037 -0.010 0.000 0.627 363 A CB -1.187 17.824 19.000 0.019 0.000 0.818 363 A HN 0.508 nan 8.150 nan 0.000 0.445 364 T N 0.186 114.726 114.554 -0.023 0.000 2.737 364 T HA 0.007 4.316 4.350 -0.068 0.000 0.265 364 T C 2.256 176.901 174.700 -0.092 0.000 1.038 364 T CA 1.563 63.637 62.100 -0.043 0.000 1.144 364 T CB -0.475 68.383 68.868 -0.016 0.000 0.866 364 T HN 0.606 nan 8.240 nan 0.000 0.434 365 A N 0.957 123.725 122.820 -0.087 0.000 1.908 365 A HA -0.068 4.211 4.320 -0.068 0.000 0.218 365 A C 2.575 179.990 177.584 -0.282 0.000 1.181 365 A CA 1.398 53.351 52.037 -0.140 0.000 0.627 365 A CB -1.036 17.918 19.000 -0.077 0.000 0.818 365 A HN 0.358 nan 8.150 nan 0.000 0.445 366 V N -0.364 119.370 119.914 -0.300 0.000 2.358 366 V HA -0.206 3.873 4.120 -0.068 0.000 0.246 366 V C 2.727 178.492 176.094 -0.548 0.000 1.047 366 V CA 2.416 64.389 62.300 -0.545 0.000 1.035 366 V CB -1.136 30.528 31.823 -0.266 0.000 0.658 366 V HN 0.616 nan 8.190 nan 0.000 0.452 367 T N -0.195 114.186 114.554 -0.288 0.000 2.821 367 T HA -0.142 4.167 4.350 -0.068 0.000 0.267 367 T C 1.940 176.506 174.700 -0.224 0.000 1.046 367 T CA 1.503 63.478 62.100 -0.208 0.000 1.139 367 T CB -0.145 68.658 68.868 -0.109 0.000 0.871 367 T HN 0.277 nan 8.240 nan 0.000 0.454 368 V N 1.156 120.934 119.914 -0.225 0.000 2.307 368 V HA -0.089 3.990 4.120 -0.068 0.000 0.245 368 V C 2.398 178.349 176.094 -0.238 0.000 1.045 368 V CA 1.318 63.506 62.300 -0.187 0.000 1.024 368 V CB -0.548 31.180 31.823 -0.159 0.000 0.651 368 V HN 0.313 nan 8.190 nan 0.000 0.449 369 L N 0.319 121.308 121.223 -0.391 0.000 2.141 369 L HA -0.049 4.250 4.340 -0.068 0.000 0.209 369 L C 2.531 179.172 176.870 -0.382 0.000 1.094 369 L CA 2.035 56.628 54.840 -0.412 0.000 0.763 369 L CB -1.103 40.578 42.059 -0.630 0.000 0.908 369 L HN 0.287 nan 8.230 nan 0.000 0.437 370 A N -0.636 121.827 122.820 -0.596 0.000 1.969 370 A HA -0.058 4.221 4.320 -0.068 0.000 0.218 370 A C 2.419 179.970 177.584 -0.056 0.000 1.169 370 A CA 1.471 53.341 52.037 -0.278 0.000 0.635 370 A CB -1.203 17.653 19.000 -0.240 0.000 0.810 370 A HN 0.423 nan 8.150 nan 0.000 0.445 371 G N -0.066 108.676 108.800 -0.097 0.000 2.418 371 G HA2 -0.128 3.791 3.960 -0.068 0.000 0.217 371 G HA3 -0.128 3.791 3.960 -0.068 0.000 0.217 371 G C 1.475 176.374 174.900 -0.001 0.000 1.158 371 G CA 1.162 46.241 45.100 -0.035 0.000 0.771 371 G HN 0.490 nan 8.290 nan 0.000 0.545 372 L N 1.522 122.738 121.223 -0.010 0.000 1.989 372 L HA 0.075 4.374 4.340 -0.068 0.000 0.211 372 L C 3.064 179.975 176.870 0.068 0.000 1.071 372 L CA 2.405 57.261 54.840 0.027 0.000 0.749 372 L CB -0.866 41.201 42.059 0.013 0.000 0.890 372 L HN 0.230 nan 8.230 nan 0.000 0.431 373 A N -0.859 122.027 122.820 0.110 0.000 1.908 373 A HA -0.259 4.020 4.320 -0.068 0.000 0.218 373 A C 2.334 179.976 177.584 0.097 0.000 1.181 373 A CA 1.866 53.988 52.037 0.141 0.000 0.627 373 A CB -0.845 18.301 19.000 0.244 0.000 0.818 373 A HN 0.617 nan 8.150 nan 0.000 0.445 374 E N -0.125 120.126 120.200 0.084 0.000 2.077 374 E HA -0.209 4.100 4.350 -0.068 0.000 0.193 374 E C 2.115 178.747 176.600 0.053 0.000 0.989 374 E CA 0.979 57.417 56.400 0.064 0.000 0.800 374 E CB -0.231 29.501 29.700 0.053 0.000 0.746 374 E HN 0.376 nan 8.360 nan 0.000 0.452 375 R N 0.362 120.890 120.500 0.048 0.000 2.115 375 R HA -0.048 4.251 4.340 -0.068 0.000 0.230 375 R C 2.374 178.701 176.300 0.046 0.000 1.111 375 R CA 0.876 57.001 56.100 0.042 0.000 0.976 375 R CB -0.422 29.902 30.300 0.039 0.000 0.870 375 R HN 0.413 nan 8.270 nan 0.000 0.445 376 Q N -0.043 119.790 119.800 0.055 0.000 2.119 376 Q HA -0.035 4.264 4.340 -0.068 0.000 0.201 376 Q C 2.150 178.172 176.000 0.037 0.000 0.972 376 Q CA 1.063 56.899 55.803 0.055 0.000 0.847 376 Q CB -0.053 28.728 28.738 0.071 0.000 0.903 376 Q HN 0.325 nan 8.270 nan 0.000 0.433 377 I N 0.506 121.098 120.570 0.037 0.000 2.252 377 I HA -0.227 3.902 4.170 -0.068 0.000 0.245 377 I C 2.421 178.561 176.117 0.037 0.000 1.102 377 I CA 0.842 62.157 61.300 0.024 0.000 1.385 377 I CB -0.407 37.613 38.000 0.032 0.000 1.064 377 I HN 0.134 nan 8.210 nan 0.000 0.414 378 A N 0.915 123.763 122.820 0.048 0.000 1.933 378 A HA -0.250 4.030 4.320 -0.068 0.000 0.218 378 A C 2.447 180.043 177.584 0.020 0.000 1.175 378 A CA 1.903 53.971 52.037 0.052 0.000 0.628 378 A CB -0.628 18.402 19.000 0.050 0.000 0.814 378 A HN 0.392 nan 8.150 nan 0.000 0.444 379 R N -0.924 119.583 120.500 0.012 0.000 2.075 379 R HA -0.027 4.272 4.340 -0.068 0.000 0.226 379 R C 2.013 178.299 176.300 -0.023 0.000 1.114 379 R CA 1.383 57.480 56.100 -0.006 0.000 0.972 379 R CB -0.386 29.919 30.300 0.008 0.000 0.869 379 R HN 0.397 nan 8.270 nan 0.000 0.437 380 L N 1.183 122.397 121.223 -0.015 0.000 2.131 380 L HA -0.095 4.204 4.340 -0.068 0.000 0.210 380 L C 1.917 178.755 176.870 -0.054 0.000 1.092 380 L CA 2.372 57.194 54.840 -0.029 0.000 0.759 380 L CB -0.412 41.631 42.059 -0.027 0.000 0.903 380 L HN 0.420 nan 8.230 nan 0.000 0.435 381 T N -4.282 110.240 114.554 -0.055 0.000 3.107 381 T HA 0.038 4.347 4.350 -0.068 0.000 0.249 381 T C 0.717 175.193 174.700 -0.373 0.000 1.096 381 T CA -0.143 61.892 62.100 -0.110 0.000 1.012 381 T CB -0.446 68.477 68.868 0.092 0.000 0.977 381 T HN 0.238 nan 8.240 nan 0.000 0.527 382 D N 2.648 122.901 120.400 -0.245 0.000 2.347 382 D HA 0.075 4.674 4.640 -0.068 0.000 0.235 382 D C 1.326 177.501 176.300 -0.209 0.000 1.149 382 D CA -0.281 53.555 54.000 -0.272 0.000 0.850 382 D CB 1.251 41.975 40.800 -0.127 0.000 1.061 382 D HN 0.610 nan 8.370 nan 0.000 0.487 383 E N 3.305 123.357 120.200 -0.247 0.000 2.267 383 E HA -0.215 4.094 4.350 -0.068 0.000 0.197 383 E C 1.100 177.651 176.600 -0.082 0.000 0.998 383 E CA 0.822 57.141 56.400 -0.135 0.000 0.830 383 E CB 0.071 29.707 29.700 -0.106 0.000 0.751 383 E HN 0.365 nan 8.360 nan 0.000 0.491 384 R N 0.011 120.464 120.500 -0.079 0.000 2.240 384 R HA 0.152 4.451 4.340 -0.068 0.000 0.203 384 R C 1.821 178.094 176.300 -0.044 0.000 1.011 384 R CA 0.657 56.728 56.100 -0.049 0.000 1.007 384 R CB 0.148 30.425 30.300 -0.038 0.000 0.911 384 R HN 0.286 nan 8.270 nan 0.000 0.468 385 L N -0.006 121.184 121.223 -0.054 0.000 2.749 385 L HA 0.113 4.413 4.340 -0.068 0.000 0.242 385 L C 0.652 177.498 176.870 -0.039 0.000 1.103 385 L CA -0.098 54.717 54.840 -0.042 0.000 0.906 385 L CB 0.099 42.135 42.059 -0.039 0.000 1.228 385 L HN 0.119 nan 8.230 nan 0.000 0.517 386 N N 1.004 119.674 118.700 -0.050 0.000 2.362 386 N HA -0.055 4.644 4.740 -0.068 0.000 0.204 386 N C 0.027 175.518 175.510 -0.031 0.000 1.166 386 N CA -0.240 52.785 53.050 -0.041 0.000 0.831 386 N CB -0.248 38.206 38.487 -0.055 0.000 1.008 386 N HN 0.088 nan 8.380 nan 0.000 0.472 387 R N -0.438 120.045 120.500 -0.029 0.000 3.188 387 R HA -0.176 4.123 4.340 -0.068 0.000 0.247 387 R C 0.792 177.080 176.300 -0.020 0.000 0.918 387 R CA 0.502 56.588 56.100 -0.023 0.000 0.629 387 R CB -2.084 28.205 30.300 -0.019 0.000 1.087 387 R HN 0.641 nan 8.270 nan 0.000 0.462 388 G N -0.946 107.842 108.800 -0.021 0.000 2.194 388 G HA2 -0.298 3.621 3.960 -0.068 0.000 0.236 388 G HA3 -0.298 3.621 3.960 -0.068 0.000 0.236 388 G C 0.263 175.152 174.900 -0.017 0.000 0.987 388 G CA 0.043 45.133 45.100 -0.016 0.000 0.635 388 G HN 0.270 nan 8.290 nan 0.000 0.520 389 L N 1.589 122.798 121.223 -0.024 0.000 2.436 389 L HA 0.416 4.715 4.340 -0.068 0.000 0.265 389 L C -1.622 175.232 176.870 -0.026 0.000 1.168 389 L CA -2.004 52.821 54.840 -0.025 0.000 0.815 389 L CB 0.642 42.685 42.059 -0.026 0.000 1.109 389 L HN -0.089 nan 8.230 nan 0.000 0.462 390 P HA 0.036 nan 4.420 nan 0.000 0.267 390 P C -2.464 174.866 177.300 0.051 0.000 1.200 390 P CA -0.863 62.234 63.100 -0.005 0.000 0.772 390 P CB -0.162 31.421 31.700 -0.195 0.000 0.855 391 P HA -0.006 nan 4.420 nan 0.000 0.267 391 P C -0.277 177.099 177.300 0.128 0.000 1.209 391 P CA 0.339 63.404 63.100 -0.059 0.000 0.763 391 P CB -0.160 31.551 31.700 0.019 0.000 0.816 392 F N 1.666 121.714 119.950 0.164 0.000 3.034 392 F HA -0.240 4.246 4.527 -0.069 0.000 0.286 392 F C 1.309 177.283 175.800 0.289 0.000 0.804 392 F CA 0.309 58.430 58.000 0.201 0.000 1.161 392 F CB -2.636 36.473 39.000 0.182 0.000 1.317 392 F HN 0.270 nan 8.300 nan 0.000 0.453 393 L N -1.640 119.750 121.223 0.278 0.000 3.839 393 L HA -0.320 3.979 4.340 -0.068 0.000 0.416 393 L C 1.361 178.381 176.870 0.250 0.000 1.195 393 L CA 1.061 56.039 54.840 0.229 0.000 0.946 393 L CB -1.980 40.225 42.059 0.243 0.000 1.891 393 L HN 0.700 nan 8.230 nan 0.000 0.963 394 H N 0.421 119.617 119.070 0.211 0.000 2.671 394 H HA 0.651 5.166 4.556 -0.069 0.000 0.372 394 H C 0.304 175.688 175.328 0.094 0.000 1.227 394 H CA -0.430 55.698 56.048 0.132 0.000 1.426 394 H CB 0.886 30.716 29.762 0.113 0.000 1.480 394 H HN 0.295 nan 8.280 nan 0.000 0.611 395 R N -0.163 120.342 120.500 0.009 0.000 2.912 395 R HA 0.481 4.780 4.340 -0.068 0.000 0.262 395 R C -0.275 176.123 176.300 0.163 0.000 1.057 395 R CA -0.272 55.810 56.100 -0.029 0.000 0.981 395 R CB 1.997 32.300 30.300 0.006 0.000 1.201 395 R HN 1.093 nan 8.270 nan 0.000 0.484 396 G N 1.209 110.077 108.800 0.114 0.000 2.828 396 G HA2 -0.186 3.733 3.960 -0.068 0.000 0.463 396 G HA3 -0.186 3.733 3.960 -0.068 0.000 0.463 396 G C -2.704 172.321 174.900 0.209 0.000 1.394 396 G CA -1.223 43.956 45.100 0.131 0.000 0.862 396 G HN 0.378 nan 8.290 nan 0.000 0.540 397 P HA 0.445 nan 4.420 nan 0.000 0.264 397 P C 0.419 177.737 177.300 0.029 0.000 1.193 397 P CA 0.840 63.999 63.100 0.098 0.000 0.763 397 P CB 0.694 32.420 31.700 0.042 0.000 0.810 398 A N 3.493 126.316 122.820 0.004 0.000 2.462 398 A HA 0.473 4.752 4.320 -0.068 0.000 0.243 398 A C 1.582 179.053 177.584 -0.188 0.000 1.076 398 A CA 0.853 52.694 52.037 -0.326 0.000 0.773 398 A CB -0.967 17.969 19.000 -0.107 0.000 1.010 398 A HN 0.811 nan 8.150 nan 0.000 0.493 399 G N 0.612 109.279 108.800 -0.222 0.000 3.206 399 G HA2 -0.299 3.620 3.960 -0.068 0.000 0.217 399 G HA3 -0.299 3.620 3.960 -0.068 0.000 0.217 399 G C 1.135 175.979 174.900 -0.093 0.000 1.350 399 G CA 0.491 45.526 45.100 -0.108 0.000 0.836 399 G HN 0.828 nan 8.290 nan 0.000 0.548 400 L N 1.027 122.204 121.223 -0.076 0.000 2.083 400 L HA 0.095 4.394 4.340 -0.068 0.000 0.209 400 L C 0.939 177.775 176.870 -0.057 0.000 1.083 400 L CA 1.122 55.932 54.840 -0.049 0.000 0.752 400 L CB -0.292 41.752 42.059 -0.024 0.000 0.899 400 L HN 0.340 nan 8.230 nan 0.000 0.433 401 N N -1.392 117.256 118.700 -0.086 0.000 2.361 401 N HA 0.197 4.896 4.740 -0.068 0.000 0.302 401 N C -0.042 175.393 175.510 -0.125 0.000 1.074 401 N CA -0.115 52.897 53.050 -0.063 0.000 0.850 401 N CB 2.058 40.570 38.487 0.041 0.000 1.228 401 N HN -0.186 nan 8.380 nan 0.000 0.491 402 S N 0.048 115.711 115.700 -0.062 0.000 2.603 402 S HA 0.252 4.682 4.470 -0.068 0.000 0.232 402 S C 1.245 175.876 174.600 0.053 0.000 1.016 402 S CA 0.015 58.185 58.200 -0.050 0.000 0.976 402 S CB 0.508 63.629 63.200 -0.132 0.000 0.921 402 S HN 0.929 nan 8.310 nan 0.000 0.516 403 G N 2.508 111.343 108.800 0.059 0.000 2.629 403 G HA2 -0.346 3.573 3.960 -0.068 0.000 0.313 403 G HA3 -0.346 3.573 3.960 -0.068 0.000 0.313 403 G C 0.228 175.033 174.900 -0.158 0.000 1.217 403 G CA 0.830 45.934 45.100 0.007 0.000 0.994 403 G HN 0.470 nan 8.290 nan 0.000 0.549 404 F N 1.322 121.354 119.950 0.137 0.000 2.664 404 F HA 0.475 4.966 4.527 -0.061 0.000 0.301 404 F C 2.371 178.200 175.800 0.049 0.000 1.126 404 F CA 0.869 58.924 58.000 0.093 0.000 1.373 404 F CB 0.184 39.255 39.000 0.118 0.000 1.042 404 F HN 0.324 nan 8.300 nan 0.000 0.535 405 M N 0.013 119.615 119.600 0.004 0.000 2.149 405 M HA -0.124 4.315 4.480 -0.068 0.000 0.261 405 M C 2.329 178.507 176.300 -0.203 0.000 1.064 405 M CA 2.166 57.206 55.300 -0.434 0.000 1.102 405 M CB -0.384 31.677 32.600 -0.897 0.000 1.369 405 M HN 0.327 nan 8.290 nan 0.000 0.408 406 G N -0.790 107.947 108.800 -0.105 0.000 2.394 406 G HA2 -0.084 3.835 3.960 -0.068 0.000 0.214 406 G HA3 -0.084 3.835 3.960 -0.068 0.000 0.214 406 G C 1.477 176.384 174.900 0.012 0.000 1.176 406 G CA 0.687 45.752 45.100 -0.057 0.000 0.786 406 G HN 0.602 nan 8.290 nan 0.000 0.533 407 A N -0.022 122.843 122.820 0.076 0.000 1.972 407 A HA -0.094 4.185 4.320 -0.068 0.000 0.219 407 A C 2.265 179.918 177.584 0.115 0.000 1.169 407 A CA 2.030 54.141 52.037 0.123 0.000 0.635 407 A CB -0.404 18.748 19.000 0.252 0.000 0.810 407 A HN 0.385 nan 8.150 nan 0.000 0.446 408 Q N 0.092 119.974 119.800 0.138 0.000 2.084 408 Q HA -0.117 4.182 4.340 -0.068 0.000 0.202 408 Q C 2.075 178.127 176.000 0.087 0.000 0.978 408 Q CA 2.024 57.907 55.803 0.134 0.000 0.844 408 Q CB -0.269 28.602 28.738 0.223 0.000 0.898 408 Q HN 0.438 nan 8.270 nan 0.000 0.426 409 V N 0.438 120.385 119.914 0.054 0.000 2.453 409 V HA -0.190 3.889 4.120 -0.068 0.000 0.247 409 V C 2.363 178.477 176.094 0.033 0.000 1.048 409 V CA 1.982 64.303 62.300 0.034 0.000 1.049 409 V CB -0.832 30.993 31.823 0.003 0.000 0.672 409 V HN 0.360 nan 8.190 nan 0.000 0.457 410 T N 0.510 115.084 114.554 0.033 0.000 2.759 410 T HA -0.182 4.127 4.350 -0.068 0.000 0.269 410 T C 2.070 176.793 174.700 0.038 0.000 1.042 410 T CA 1.651 63.769 62.100 0.031 0.000 1.140 410 T CB -0.381 68.505 68.868 0.031 0.000 0.864 410 T HN 0.575 nan 8.240 nan 0.000 0.455 411 A N 1.178 124.026 122.820 0.047 0.000 1.902 411 A HA -0.136 4.143 4.320 -0.068 0.000 0.217 411 A C 2.552 180.165 177.584 0.048 0.000 1.181 411 A CA 2.128 54.195 52.037 0.050 0.000 0.623 411 A CB -1.206 17.828 19.000 0.056 0.000 0.818 411 A HN 0.481 nan 8.150 nan 0.000 0.443 412 T N 0.253 114.834 114.554 0.046 0.000 2.746 412 T HA 0.003 4.312 4.350 -0.068 0.000 0.267 412 T C 2.199 176.918 174.700 0.031 0.000 1.039 412 T CA 1.496 63.620 62.100 0.039 0.000 1.142 412 T CB -0.411 68.481 68.868 0.040 0.000 0.866 412 T HN 0.597 nan 8.240 nan 0.000 0.444 413 A N 1.236 124.073 122.820 0.029 0.000 1.898 413 A HA 0.045 4.324 4.320 -0.068 0.000 0.216 413 A C 2.297 179.896 177.584 0.026 0.000 1.181 413 A CA 1.079 53.130 52.037 0.023 0.000 0.620 413 A CB -0.793 18.219 19.000 0.020 0.000 0.819 413 A HN 0.467 nan 8.150 nan 0.000 0.442 414 L N -1.090 120.153 121.223 0.032 0.000 2.046 414 L HA -0.174 4.125 4.340 -0.068 0.000 0.208 414 L C 2.580 179.472 176.870 0.037 0.000 1.077 414 L CA 1.288 56.150 54.840 0.037 0.000 0.747 414 L CB -0.578 41.509 42.059 0.046 0.000 0.896 414 L HN 0.484 nan 8.230 nan 0.000 0.432 415 L N 0.299 121.543 121.223 0.036 0.000 2.017 415 L HA -0.133 4.166 4.340 -0.068 0.000 0.208 415 L C 2.653 179.532 176.870 0.016 0.000 1.073 415 L CA 2.007 56.863 54.840 0.026 0.000 0.745 415 L CB -0.731 41.342 42.059 0.024 0.000 0.894 415 L HN 0.135 nan 8.230 nan 0.000 0.432 416 A N -0.787 122.043 122.820 0.017 0.000 1.908 416 A HA -0.299 3.981 4.320 -0.068 0.000 0.218 416 A C 2.341 179.933 177.584 0.013 0.000 1.181 416 A CA 1.961 54.006 52.037 0.013 0.000 0.627 416 A CB -0.794 18.214 19.000 0.014 0.000 0.818 416 A HN 0.653 nan 8.150 nan 0.000 0.445 417 E N -0.729 119.481 120.200 0.016 0.000 2.106 417 E HA -0.172 4.137 4.350 -0.068 0.000 0.192 417 E C 2.034 178.644 176.600 0.017 0.000 0.984 417 E CA 1.225 57.635 56.400 0.017 0.000 0.806 417 E CB -0.194 29.518 29.700 0.020 0.000 0.750 417 E HN 0.682 nan 8.360 nan 0.000 0.458 418 M N -0.060 119.551 119.600 0.017 0.000 2.117 418 M HA -0.161 4.278 4.480 -0.068 0.000 0.262 418 M C 2.311 178.614 176.300 0.005 0.000 1.065 418 M CA 1.538 56.846 55.300 0.013 0.000 1.114 418 M CB -0.162 32.442 32.600 0.007 0.000 1.361 418 M HN 0.009 nan 8.290 nan 0.000 0.408 419 R N 0.095 120.596 120.500 0.002 0.000 2.189 419 R HA -0.025 4.274 4.340 -0.068 0.000 0.223 419 R C 2.193 178.498 176.300 0.007 0.000 1.092 419 R CA 1.098 57.197 56.100 -0.000 0.000 0.989 419 R CB -0.437 29.862 30.300 -0.003 0.000 0.876 419 R HN 0.367 nan 8.270 nan 0.000 0.457 420 A N 0.516 123.342 122.820 0.010 0.000 2.121 420 A HA -0.034 4.245 4.320 -0.068 0.000 0.218 420 A C 0.770 178.365 177.584 0.017 0.000 1.154 420 A CA 0.926 52.971 52.037 0.013 0.000 0.679 420 A CB 0.081 19.088 19.000 0.011 0.000 0.795 420 A HN 0.102 nan 8.150 nan 0.000 0.458 421 T N 0.209 114.775 114.554 0.019 0.000 2.758 421 T HA 0.544 4.853 4.350 -0.068 0.000 0.285 421 T C 0.484 175.206 174.700 0.037 0.000 0.981 421 T CA 0.062 62.179 62.100 0.028 0.000 0.965 421 T CB 1.474 70.358 68.868 0.026 0.000 0.927 421 T HN 0.367 nan 8.240 nan 0.000 0.448 422 G N 3.300 112.135 108.800 0.058 0.000 2.671 422 G HA2 0.651 4.570 3.960 -0.068 0.000 0.275 422 G HA3 0.651 4.570 3.960 -0.068 0.000 0.275 422 G C -2.601 172.348 174.900 0.082 0.000 1.368 422 G CA -1.565 43.574 45.100 0.065 0.000 1.044 422 G HN 0.430 nan 8.290 nan 0.000 0.543 423 P HA 0.267 nan 4.420 nan 0.000 0.266 423 P C 0.329 177.695 177.300 0.109 0.000 1.195 423 P CA 0.326 63.462 63.100 0.061 0.000 0.768 423 P CB 1.361 33.074 31.700 0.021 0.000 0.838 424 A N 2.020 124.906 122.820 0.111 0.000 1.984 424 A HA -0.049 4.230 4.320 -0.068 0.000 0.214 424 A C 2.081 179.740 177.584 0.125 0.000 1.173 424 A CA 1.094 53.235 52.037 0.173 0.000 0.673 424 A CB -1.078 17.991 19.000 0.116 0.000 0.830 424 A HN 0.477 nan 8.150 nan 0.000 0.453 425 S N 0.645 116.372 115.700 0.046 0.000 2.402 425 S HA -0.202 4.227 4.470 -0.068 0.000 0.233 425 S C 1.703 176.274 174.600 -0.050 0.000 1.030 425 S CA 1.648 59.855 58.200 0.011 0.000 1.003 425 S CB -0.730 62.476 63.200 0.009 0.000 0.813 425 S HN 0.794 nan 8.310 nan 0.000 0.477 426 I N -1.248 119.220 120.570 -0.170 0.000 3.334 426 I HA 0.032 4.161 4.170 -0.068 0.000 0.282 426 I C 0.718 176.617 176.117 -0.364 0.000 1.313 426 I CA 1.035 62.168 61.300 -0.279 0.000 1.396 426 I CB -0.378 37.406 38.000 -0.360 0.000 1.054 426 I HN 0.177 nan 8.210 nan 0.000 0.495 427 H N 1.233 120.314 119.070 0.020 0.000 2.524 427 H HA 0.310 4.825 4.556 -0.069 0.000 0.299 427 H C 0.661 176.002 175.328 0.021 0.000 1.074 427 H CA -0.227 55.832 56.048 0.019 0.000 1.115 427 H CB 0.090 29.863 29.762 0.019 0.000 1.522 427 H HN 0.305 nan 8.280 nan 0.000 0.543 428 S N 1.235 116.980 115.700 0.075 0.000 2.552 428 S HA 0.184 4.613 4.470 -0.068 0.000 0.289 428 S C 0.273 174.912 174.600 0.064 0.000 1.304 428 S CA -0.174 58.065 58.200 0.064 0.000 1.063 428 S CB -0.004 63.219 63.200 0.039 0.000 0.848 428 S HN 0.303 nan 8.310 nan 0.000 0.499 429 I N 3.369 123.975 120.570 0.060 0.000 2.569 429 I HA 0.207 4.337 4.170 -0.068 0.000 0.290 429 I C 0.038 176.181 176.117 0.044 0.000 1.088 429 I CA -0.630 60.700 61.300 0.051 0.000 1.047 429 I CB 2.121 40.152 38.000 0.051 0.000 1.237 429 I HN 0.590 nan 8.210 nan 0.000 0.421 430 S N 4.007 119.729 115.700 0.038 0.000 2.544 430 S HA 0.220 4.649 4.470 -0.068 0.000 0.290 430 S C -0.185 174.436 174.600 0.034 0.000 1.276 430 S CA 0.503 58.724 58.200 0.035 0.000 1.075 430 S CB 0.208 63.426 63.200 0.030 0.000 0.849 430 S HN 0.769 nan 8.310 nan 0.000 0.494 431 T N 3.213 117.789 114.554 0.036 0.000 2.696 431 T HA 0.419 4.728 4.350 -0.068 0.000 0.291 431 T C -0.381 174.341 174.700 0.035 0.000 1.095 431 T CA -0.131 61.990 62.100 0.035 0.000 1.026 431 T CB 0.834 69.724 68.868 0.037 0.000 1.390 431 T HN 0.912 nan 8.240 nan 0.000 0.513 432 N N 0.660 119.380 118.700 0.034 0.000 2.727 432 N HA -0.220 4.479 4.740 -0.068 0.000 0.251 432 N C 0.278 175.807 175.510 0.031 0.000 1.040 432 N CA 0.749 53.821 53.050 0.036 0.000 0.712 432 N CB -1.153 37.360 38.487 0.045 0.000 0.912 432 N HN 1.520 nan 8.380 nan 0.000 0.545 433 A N -0.412 122.422 122.820 0.024 0.000 2.783 433 A HA 0.001 4.280 4.320 -0.068 0.000 0.292 433 A C 1.344 178.942 177.584 0.024 0.000 1.495 433 A CA 2.084 54.133 52.037 0.020 0.000 0.787 433 A CB -2.265 16.745 19.000 0.016 0.000 1.017 433 A HN 2.264 nan 8.150 nan 0.000 0.516 434 A N -2.371 120.465 122.820 0.027 0.000 3.413 434 A HA -0.363 3.917 4.320 -0.068 0.000 0.268 434 A C 1.386 178.990 177.584 0.033 0.000 1.128 434 A CA 2.052 54.106 52.037 0.028 0.000 1.062 434 A CB -2.535 16.480 19.000 0.024 0.000 1.121 434 A HN 2.213 nan 8.150 nan 0.000 0.895 435 N N -0.045 118.678 118.700 0.038 0.000 2.142 435 N HA -0.091 4.608 4.740 -0.068 0.000 0.186 435 N C 0.985 176.526 175.510 0.052 0.000 1.023 435 N CA 1.845 54.922 53.050 0.045 0.000 0.852 435 N CB -0.148 38.370 38.487 0.051 0.000 0.998 435 N HN 0.751 nan 8.380 nan 0.000 0.424 436 Q N 0.531 120.361 119.800 0.051 0.000 3.091 436 Q HA 0.066 4.365 4.340 -0.068 0.000 0.301 436 Q C -0.428 175.604 176.000 0.053 0.000 1.337 436 Q CA -0.295 55.543 55.803 0.059 0.000 1.083 436 Q CB 0.585 29.354 28.738 0.051 0.000 1.477 436 Q HN 0.506 nan 8.270 nan 0.000 0.537 437 D N -0.454 119.976 120.400 0.049 0.000 2.350 437 D HA -0.084 4.515 4.640 -0.068 0.000 0.216 437 D C 0.683 177.008 176.300 0.042 0.000 0.968 437 D CA 0.459 54.484 54.000 0.041 0.000 0.894 437 D CB 0.074 40.894 40.800 0.033 0.000 0.909 437 D HN 0.207 nan 8.370 nan 0.000 0.520 438 V N -1.770 118.174 119.914 0.051 0.000 2.733 438 V HA 0.739 4.818 4.120 -0.068 0.000 0.306 438 V C -0.437 175.696 176.094 0.065 0.000 1.084 438 V CA -1.228 61.102 62.300 0.049 0.000 0.905 438 V CB 1.876 33.724 31.823 0.040 0.000 1.010 438 V HN 0.093 nan 8.190 nan 0.000 0.424 439 V N 1.163 121.115 119.914 0.062 0.000 2.962 439 V HA 0.780 4.859 4.120 -0.068 0.000 0.313 439 V C 1.080 177.213 176.094 0.065 0.000 1.099 439 V CA 0.271 62.614 62.300 0.073 0.000 0.971 439 V CB 1.456 33.318 31.823 0.066 0.000 1.028 439 V HN 1.287 nan 8.190 nan 0.000 0.430 440 S N 2.549 118.292 115.700 0.072 0.000 2.406 440 S HA 0.091 4.520 4.470 -0.068 0.000 0.224 440 S C 1.129 175.763 174.600 0.057 0.000 1.030 440 S CA 1.102 59.338 58.200 0.060 0.000 0.958 440 S CB -0.846 62.394 63.200 0.066 0.000 0.811 440 S HN 1.393 nan 8.310 nan 0.000 0.489 441 L N 0.371 121.631 121.223 0.062 0.000 4.040 441 L HA -0.186 4.113 4.340 -0.068 0.000 0.410 441 L C 1.460 178.365 176.870 0.057 0.000 1.187 441 L CA 0.005 54.882 54.840 0.061 0.000 0.956 441 L CB -2.294 39.810 42.059 0.075 0.000 2.022 441 L HN 0.534 nan 8.230 nan 0.000 0.897 442 G N -0.395 108.437 108.800 0.053 0.000 2.432 442 G HA2 -0.184 3.735 3.960 -0.068 0.000 0.219 442 G HA3 -0.184 3.735 3.960 -0.068 0.000 0.219 442 G C 1.279 176.207 174.900 0.046 0.000 1.135 442 G CA 1.355 46.484 45.100 0.048 0.000 0.767 442 G HN 0.471 nan 8.290 nan 0.000 0.550 443 T N 1.305 115.885 114.554 0.043 0.000 2.777 443 T HA -0.015 4.294 4.350 -0.068 0.000 0.266 443 T C 2.373 177.097 174.700 0.040 0.000 1.040 443 T CA 0.889 63.011 62.100 0.037 0.000 1.141 443 T CB -0.109 68.776 68.868 0.029 0.000 0.868 443 T HN 0.262 nan 8.240 nan 0.000 0.444 444 I N 1.634 122.229 120.570 0.043 0.000 2.179 444 I HA -0.158 3.971 4.170 -0.068 0.000 0.242 444 I C 3.029 179.177 176.117 0.052 0.000 1.088 444 I CA 1.117 62.444 61.300 0.044 0.000 1.357 444 I CB -0.544 37.485 38.000 0.049 0.000 1.051 444 I HN 0.210 nan 8.210 nan 0.000 0.409 445 A N 0.805 123.661 122.820 0.059 0.000 1.908 445 A HA -0.217 4.062 4.320 -0.068 0.000 0.218 445 A C 2.541 180.163 177.584 0.064 0.000 1.181 445 A CA 2.054 54.129 52.037 0.063 0.000 0.627 445 A CB -0.909 18.129 19.000 0.063 0.000 0.818 445 A HN 0.446 nan 8.150 nan 0.000 0.445 446 A N -0.358 122.501 122.820 0.064 0.000 1.902 446 A HA -0.163 4.116 4.320 -0.068 0.000 0.217 446 A C 2.252 179.875 177.584 0.065 0.000 1.181 446 A CA 1.571 53.651 52.037 0.073 0.000 0.623 446 A CB -0.446 18.595 19.000 0.068 0.000 0.818 446 A HN 0.561 nan 8.150 nan 0.000 0.443 447 R N -0.586 119.946 120.500 0.054 0.000 2.092 447 R HA 0.033 4.332 4.340 -0.068 0.000 0.231 447 R C 1.991 178.320 176.300 0.049 0.000 1.119 447 R CA 1.268 57.397 56.100 0.048 0.000 0.970 447 R CB -0.431 29.891 30.300 0.037 0.000 0.864 447 R HN 0.498 nan 8.270 nan 0.000 0.440 448 L N -0.284 120.968 121.223 0.049 0.000 2.141 448 L HA -0.198 4.101 4.340 -0.068 0.000 0.209 448 L C 2.725 179.624 176.870 0.049 0.000 1.094 448 L CA 0.685 55.553 54.840 0.046 0.000 0.763 448 L CB -0.481 41.606 42.059 0.048 0.000 0.908 448 L HN 0.370 nan 8.230 nan 0.000 0.437 449 C N 0.363 119.695 119.300 0.053 0.000 2.446 449 C HA -0.161 4.258 4.460 -0.068 0.000 0.277 449 C C 3.102 178.130 174.990 0.063 0.000 1.275 449 C CA 0.909 59.957 59.018 0.050 0.000 1.727 449 C CB -0.518 27.251 27.740 0.049 0.000 2.010 449 C HN 0.500 nan 8.230 nan 0.000 0.486 450 R N 1.319 121.860 120.500 0.069 0.000 2.083 450 R HA -0.097 4.202 4.340 -0.068 0.000 0.237 450 R C 2.107 178.456 176.300 0.080 0.000 1.137 450 R CA 2.112 58.259 56.100 0.079 0.000 0.951 450 R CB -0.876 29.468 30.300 0.074 0.000 0.851 450 R HN 0.534 nan 8.270 nan 0.000 0.434 451 E N 0.749 120.989 120.200 0.066 0.000 2.085 451 E HA -0.185 4.124 4.350 -0.068 0.000 0.194 451 E C 1.884 178.529 176.600 0.074 0.000 0.994 451 E CA 1.413 57.850 56.400 0.062 0.000 0.801 451 E CB -0.134 29.594 29.700 0.048 0.000 0.743 451 E HN 0.442 nan 8.360 nan 0.000 0.453 452 K N 0.280 120.723 120.400 0.073 0.000 2.097 452 K HA -0.030 4.249 4.320 -0.068 0.000 0.205 452 K C 2.305 178.993 176.600 0.147 0.000 1.050 452 K CA 0.783 57.117 56.287 0.079 0.000 0.938 452 K CB -0.124 32.400 32.500 0.040 0.000 0.718 452 K HN 0.103 nan 8.250 nan 0.000 0.442 453 I N 1.443 122.112 120.570 0.166 0.000 2.286 453 I HA -0.275 3.854 4.170 -0.068 0.000 0.248 453 I C 1.540 177.779 176.117 0.203 0.000 1.115 453 I CA 1.142 62.596 61.300 0.257 0.000 1.392 453 I CB -0.235 37.885 38.000 0.199 0.000 1.065 453 I HN 0.147 nan 8.210 nan 0.000 0.418 454 D N 0.560 121.039 120.400 0.130 0.000 2.144 454 D HA -0.118 4.481 4.640 -0.068 0.000 0.200 454 D C 2.328 178.683 176.300 0.092 0.000 0.978 454 D CA 0.877 54.930 54.000 0.088 0.000 0.833 454 D CB -0.190 40.651 40.800 0.068 0.000 0.961 454 D HN 0.180 nan 8.370 nan 0.000 0.470 455 R N -0.044 120.526 120.500 0.117 0.000 2.092 455 R HA -0.110 4.189 4.340 -0.068 0.000 0.231 455 R C 2.125 178.536 176.300 0.184 0.000 1.119 455 R CA 0.443 56.612 56.100 0.115 0.000 0.970 455 R CB -1.034 29.324 30.300 0.097 0.000 0.864 455 R HN 0.341 nan 8.270 nan 0.000 0.440 456 W N 1.919 123.220 121.300 0.002 0.000 2.358 456 W HA -0.092 4.508 4.660 -0.100 0.000 0.303 456 W C 2.089 178.600 176.519 -0.013 0.000 1.208 456 W CA 1.436 58.782 57.345 0.001 0.000 1.274 456 W CB -0.629 28.838 29.460 0.012 0.000 1.138 456 W HN 0.134 nan 8.180 nan 0.000 0.515 457 A N 0.064 122.886 122.820 0.004 0.000 1.933 457 A HA -0.207 4.072 4.320 -0.068 0.000 0.218 457 A C 1.861 179.362 177.584 -0.138 0.000 1.175 457 A CA 1.897 53.820 52.037 -0.190 0.000 0.628 457 A CB -0.721 18.192 19.000 -0.146 0.000 0.814 457 A HN 0.452 nan 8.150 nan 0.000 0.444 458 E N -0.420 119.757 120.200 -0.039 0.000 2.107 458 E HA -0.071 4.238 4.350 -0.068 0.000 0.191 458 E C 1.790 178.375 176.600 -0.025 0.000 0.982 458 E CA 0.990 57.369 56.400 -0.036 0.000 0.809 458 E CB -0.199 29.504 29.700 0.004 0.000 0.756 458 E HN 0.697 nan 8.360 nan 0.000 0.459 459 I N 0.704 121.294 120.570 0.033 0.000 2.252 459 I HA -0.247 3.882 4.170 -0.068 0.000 0.245 459 I C 2.151 178.278 176.117 0.017 0.000 1.102 459 I CA 0.872 62.209 61.300 0.062 0.000 1.385 459 I CB -0.072 38.022 38.000 0.157 0.000 1.064 459 I HN 0.115 nan 8.210 nan 0.000 0.414 460 L N 0.404 121.605 121.223 -0.035 0.000 2.093 460 L HA -0.178 4.121 4.340 -0.068 0.000 0.208 460 L C 2.815 179.576 176.870 -0.182 0.000 1.085 460 L CA 1.172 55.947 54.840 -0.108 0.000 0.755 460 L CB -0.632 41.270 42.059 -0.263 0.000 0.904 460 L HN 0.233 nan 8.230 nan 0.000 0.435 461 A N 0.378 123.061 122.820 -0.229 0.000 1.902 461 A HA -0.184 4.095 4.320 -0.068 0.000 0.217 461 A C 2.203 179.662 177.584 -0.208 0.000 1.181 461 A CA 1.495 53.363 52.037 -0.282 0.000 0.623 461 A CB -0.614 18.231 19.000 -0.260 0.000 0.818 461 A HN 0.344 nan 8.150 nan 0.000 0.443 462 I N -0.831 119.666 120.570 -0.122 0.000 2.179 462 I HA -0.236 3.893 4.170 -0.068 0.000 0.242 462 I C 2.439 178.479 176.117 -0.129 0.000 1.088 462 I CA 1.337 62.589 61.300 -0.080 0.000 1.357 462 I CB -0.349 37.642 38.000 -0.015 0.000 1.051 462 I HN 0.398 nan 8.210 nan 0.000 0.409 463 L N 1.333 122.501 121.223 -0.092 0.000 2.079 463 L HA -0.174 4.125 4.340 -0.068 0.000 0.210 463 L C 2.518 179.325 176.870 -0.105 0.000 1.081 463 L CA 2.138 56.929 54.840 -0.081 0.000 0.752 463 L CB -0.814 41.239 42.059 -0.010 0.000 0.896 463 L HN 0.194 nan 8.230 nan 0.000 0.433 464 A N -0.597 122.156 122.820 -0.112 0.000 1.898 464 A HA -0.139 4.140 4.320 -0.068 0.000 0.216 464 A C 2.259 179.764 177.584 -0.131 0.000 1.181 464 A CA 1.881 53.865 52.037 -0.088 0.000 0.620 464 A CB -0.834 18.070 19.000 -0.160 0.000 0.819 464 A HN 0.498 nan 8.150 nan 0.000 0.442 465 L N -0.890 120.212 121.223 -0.201 0.000 2.056 465 L HA -0.235 4.064 4.340 -0.068 0.000 0.207 465 L C 2.736 179.399 176.870 -0.346 0.000 1.078 465 L CA 1.183 55.920 54.840 -0.172 0.000 0.749 465 L CB -0.715 41.308 42.059 -0.060 0.000 0.901 465 L HN 0.485 nan 8.230 nan 0.000 0.433 466 C N -0.123 118.821 119.300 -0.593 0.000 2.432 466 C HA -0.150 4.269 4.460 -0.068 0.000 0.277 466 C C 2.757 177.543 174.990 -0.340 0.000 1.249 466 C CA 0.532 59.073 59.018 -0.795 0.000 1.725 466 C CB -0.756 26.642 27.740 -0.570 0.000 2.028 466 C HN 0.428 nan 8.230 nan 0.000 0.477 467 L N 0.863 121.977 121.223 -0.182 0.000 2.131 467 L HA -0.139 4.160 4.340 -0.068 0.000 0.210 467 L C 2.839 179.693 176.870 -0.027 0.000 1.092 467 L CA 1.436 56.235 54.840 -0.068 0.000 0.759 467 L CB -0.684 41.368 42.059 -0.011 0.000 0.903 467 L HN 0.352 nan 8.230 nan 0.000 0.435 468 A N -0.298 122.510 122.820 -0.020 0.000 1.877 468 A HA -0.286 3.993 4.320 -0.068 0.000 0.216 468 A C 2.215 179.824 177.584 0.043 0.000 1.186 468 A CA 1.905 53.962 52.037 0.033 0.000 0.620 468 A CB -0.505 18.530 19.000 0.059 0.000 0.822 468 A HN 0.414 nan 8.150 nan 0.000 0.443 469 Q N -0.318 119.506 119.800 0.039 0.000 2.046 469 Q HA -0.019 4.280 4.340 -0.068 0.000 0.200 469 Q C 2.055 178.084 176.000 0.048 0.000 0.975 469 Q CA 2.087 57.946 55.803 0.095 0.000 0.836 469 Q CB -0.503 28.371 28.738 0.226 0.000 0.896 469 Q HN 0.547 nan 8.270 nan 0.000 0.428 470 A N 0.300 123.119 122.820 -0.001 0.000 1.933 470 A HA -0.063 4.216 4.320 -0.068 0.000 0.218 470 A C 2.265 179.855 177.584 0.009 0.000 1.175 470 A CA 1.692 53.727 52.037 -0.003 0.000 0.628 470 A CB -1.101 17.882 19.000 -0.028 0.000 0.814 470 A HN 0.544 nan 8.150 nan 0.000 0.444 471 A N 0.034 122.863 122.820 0.016 0.000 1.877 471 A HA -0.169 4.110 4.320 -0.068 0.000 0.216 471 A C 1.912 179.511 177.584 0.025 0.000 1.186 471 A CA 1.605 53.656 52.037 0.024 0.000 0.620 471 A CB -0.535 18.485 19.000 0.032 0.000 0.822 471 A HN 0.631 nan 8.150 nan 0.000 0.443 472 E N -0.207 120.012 120.200 0.032 0.000 2.106 472 E HA -0.104 4.205 4.350 -0.068 0.000 0.192 472 E C 1.921 178.535 176.600 0.023 0.000 0.984 472 E CA 0.961 57.381 56.400 0.032 0.000 0.806 472 E CB -0.262 29.464 29.700 0.043 0.000 0.750 472 E HN 0.608 nan 8.360 nan 0.000 0.458 473 L N 0.394 121.629 121.223 0.020 0.000 2.109 473 L HA -0.135 4.164 4.340 -0.068 0.000 0.207 473 L C 2.644 179.515 176.870 0.002 0.000 1.086 473 L CA 0.877 55.720 54.840 0.006 0.000 0.760 473 L CB -0.141 41.918 42.059 -0.001 0.000 0.910 473 L HN 0.013 nan 8.230 nan 0.000 0.437 474 R N -0.148 120.355 120.500 0.006 0.000 2.062 474 R HA -0.056 4.243 4.340 -0.068 0.000 0.226 474 R C 1.764 178.068 176.300 0.007 0.000 1.125 474 R CA 1.712 57.815 56.100 0.004 0.000 0.966 474 R CB -0.443 29.860 30.300 0.005 0.000 0.861 474 R HN 0.356 nan 8.270 nan 0.000 0.433 475 C N 0.288 119.596 119.300 0.012 0.000 2.974 475 C HA 0.654 5.073 4.460 -0.068 0.000 0.282 475 C C 0.632 175.630 174.990 0.014 0.000 1.292 475 C CA -0.376 58.650 59.018 0.013 0.000 1.710 475 C CB -0.851 26.899 27.740 0.017 0.000 2.036 475 C HN 0.753 nan 8.230 nan 0.000 0.629 476 G N 1.750 110.559 108.800 0.014 0.000 2.781 476 G HA2 -0.165 3.754 3.960 -0.068 0.000 0.683 476 G HA3 -0.165 3.754 3.960 -0.068 0.000 0.683 476 G C 0.710 175.622 174.900 0.020 0.000 1.390 476 G CA 0.027 45.136 45.100 0.015 0.000 0.850 476 G HN 0.771 nan 8.290 nan 0.000 0.557 477 S N -0.740 114.972 115.700 0.021 0.000 2.442 477 S HA 0.057 4.486 4.470 -0.068 0.000 0.236 477 S C 2.389 177.003 174.600 0.024 0.000 1.007 477 S CA 1.843 60.057 58.200 0.025 0.000 0.965 477 S CB -0.158 63.056 63.200 0.024 0.000 0.773 477 S HN 2.120 nan 8.310 nan 0.000 0.504 478 G N 0.889 109.701 108.800 0.020 0.000 2.744 478 G HA2 0.323 4.242 3.960 -0.068 0.000 0.211 478 G HA3 0.323 4.242 3.960 -0.068 0.000 0.211 478 G C 0.535 175.448 174.900 0.021 0.000 1.143 478 G CA -0.082 45.030 45.100 0.019 0.000 0.788 478 G HN 0.582 nan 8.290 nan 0.000 0.534 479 L N 0.970 122.206 121.223 0.022 0.000 3.601 479 L HA -0.140 4.159 4.340 -0.068 0.000 0.469 479 L C -0.909 175.973 176.870 0.020 0.000 1.294 479 L CA -0.138 54.716 54.840 0.024 0.000 0.829 479 L CB -1.675 40.400 42.059 0.028 0.000 1.628 479 L HN 0.229 nan 8.230 nan 0.000 0.868 480 D N 1.270 121.681 120.400 0.018 0.000 2.417 480 D HA 0.303 4.902 4.640 -0.068 0.000 0.250 480 D C 1.346 177.655 176.300 0.016 0.000 1.166 480 D CA 1.318 55.327 54.000 0.015 0.000 0.881 480 D CB 1.404 42.212 40.800 0.013 0.000 1.164 480 D HN 0.543 nan 8.370 nan 0.000 0.467 481 G N 1.492 110.301 108.800 0.016 0.000 2.225 481 G HA2 -0.280 3.639 3.960 -0.068 0.000 0.254 481 G HA3 -0.280 3.639 3.960 -0.068 0.000 0.254 481 G C 0.451 175.363 174.900 0.019 0.000 0.988 481 G CA 0.063 45.173 45.100 0.016 0.000 0.625 481 G HN 0.512 nan 8.290 nan 0.000 0.527 482 V N 2.696 122.623 119.914 0.022 0.000 2.614 482 V HA 0.496 4.575 4.120 -0.068 0.000 0.291 482 V C 1.483 177.593 176.094 0.026 0.000 1.049 482 V CA 0.135 62.451 62.300 0.026 0.000 1.038 482 V CB 1.338 33.178 31.823 0.029 0.000 0.980 482 V HN 1.067 nan 8.190 nan 0.000 0.481 483 S N 5.284 121.002 115.700 0.030 0.000 2.569 483 S HA 0.102 4.531 4.470 -0.068 0.000 0.274 483 S C -1.682 172.931 174.600 0.022 0.000 1.353 483 S CA -0.548 57.668 58.200 0.028 0.000 1.023 483 S CB 0.359 63.581 63.200 0.036 0.000 0.876 483 S HN 0.584 nan 8.310 nan 0.000 0.540 484 P HA -0.046 nan 4.420 nan 0.000 0.215 484 P C 1.647 178.953 177.300 0.009 0.000 1.153 484 P CA 1.933 65.040 63.100 0.012 0.000 0.853 484 P CB -0.258 31.448 31.700 0.009 0.000 0.788 485 A N -0.243 122.580 122.820 0.005 0.000 1.902 485 A HA -0.073 4.206 4.320 -0.068 0.000 0.217 485 A C 2.487 180.071 177.584 0.000 0.000 1.181 485 A CA 2.062 54.095 52.037 -0.007 0.000 0.623 485 A CB -1.881 17.110 19.000 -0.016 0.000 0.818 485 A HN 0.272 nan 8.150 nan 0.000 0.443 486 G N -0.351 108.459 108.800 0.017 0.000 2.418 486 G HA2 -0.224 3.695 3.960 -0.068 0.000 0.217 486 G HA3 -0.224 3.695 3.960 -0.068 0.000 0.217 486 G C 1.686 176.606 174.900 0.034 0.000 1.158 486 G CA 1.115 46.233 45.100 0.029 0.000 0.771 486 G HN 0.567 nan 8.290 nan 0.000 0.545 487 K N 0.196 120.614 120.400 0.029 0.000 2.026 487 K HA -0.064 4.215 4.320 -0.068 0.000 0.208 487 K C 2.452 179.073 176.600 0.035 0.000 1.048 487 K CA 1.357 57.663 56.287 0.032 0.000 0.929 487 K CB -0.152 32.363 32.500 0.026 0.000 0.713 487 K HN 0.242 nan 8.250 nan 0.000 0.439 488 K N 1.347 121.763 120.400 0.026 0.000 2.063 488 K HA -0.152 4.127 4.320 -0.068 0.000 0.208 488 K C 2.165 178.791 176.600 0.044 0.000 1.048 488 K CA 1.109 57.412 56.287 0.027 0.000 0.928 488 K CB -0.129 32.378 32.500 0.011 0.000 0.713 488 K HN 0.103 nan 8.250 nan 0.000 0.442 489 L N 0.611 121.858 121.223 0.040 0.000 2.017 489 L HA -0.186 4.113 4.340 -0.068 0.000 0.208 489 L C 2.088 179.033 176.870 0.124 0.000 1.073 489 L CA 1.223 56.110 54.840 0.077 0.000 0.745 489 L CB -0.179 41.910 42.059 0.050 0.000 0.894 489 L HN 0.037 nan 8.230 nan 0.000 0.432 490 V N -0.108 119.863 119.914 0.096 0.000 2.343 490 V HA -0.312 3.767 4.120 -0.068 0.000 0.247 490 V C 2.465 178.616 176.094 0.095 0.000 1.051 490 V CA 2.038 64.397 62.300 0.098 0.000 1.036 490 V CB -0.685 31.182 31.823 0.074 0.000 0.654 490 V HN 0.554 nan 8.190 nan 0.000 0.451 491 Q N -0.119 119.726 119.800 0.075 0.000 2.124 491 Q HA -0.147 4.152 4.340 -0.068 0.000 0.202 491 Q C 2.436 178.480 176.000 0.073 0.000 0.977 491 Q CA 1.673 57.514 55.803 0.064 0.000 0.850 491 Q CB -0.412 28.354 28.738 0.047 0.000 0.901 491 Q HN 0.677 nan 8.270 nan 0.000 0.429 492 A N 0.955 123.828 122.820 0.089 0.000 1.902 492 A HA -0.152 4.127 4.320 -0.068 0.000 0.217 492 A C 2.073 179.732 177.584 0.124 0.000 1.181 492 A CA 1.055 53.151 52.037 0.099 0.000 0.623 492 A CB -0.629 18.447 19.000 0.127 0.000 0.818 492 A HN 0.269 nan 8.150 nan 0.000 0.443 493 L N -1.109 120.221 121.223 0.177 0.000 2.027 493 L HA -0.147 4.152 4.340 -0.068 0.000 0.206 493 L C 2.670 179.687 176.870 0.245 0.000 1.074 493 L CA 0.975 55.969 54.840 0.258 0.000 0.745 493 L CB -0.453 41.742 42.059 0.226 0.000 0.898 493 L HN 0.252 nan 8.230 nan 0.000 0.433 494 R N 0.085 120.679 120.500 0.157 0.000 2.303 494 R HA -0.184 4.115 4.340 -0.068 0.000 0.225 494 R C 1.921 178.251 176.300 0.050 0.000 1.114 494 R CA 0.773 56.942 56.100 0.114 0.000 1.007 494 R CB -0.400 29.952 30.300 0.085 0.000 0.861 494 R HN 0.328 nan 8.270 nan 0.000 0.471 495 E N 0.433 120.649 120.200 0.026 0.000 2.208 495 E HA -0.122 4.187 4.350 -0.068 0.000 0.193 495 E C 1.190 177.725 176.600 -0.109 0.000 0.988 495 E CA 1.167 57.550 56.400 -0.029 0.000 0.828 495 E CB 0.299 29.985 29.700 -0.025 0.000 0.763 495 E HN 0.156 nan 8.360 nan 0.000 0.478 496 Q N -1.461 118.223 119.800 -0.193 0.000 2.288 496 Q HA 0.172 4.471 4.340 -0.068 0.000 0.256 496 Q C -0.508 175.074 176.000 -0.697 0.000 0.835 496 Q CA 0.151 55.658 55.803 -0.492 0.000 0.958 496 Q CB 0.783 29.078 28.738 -0.739 0.000 1.125 496 Q HN 0.156 nan 8.270 nan 0.000 0.513 497 F N 2.227 122.171 119.950 -0.009 0.000 2.434 497 F HA 0.435 4.923 4.527 -0.064 0.000 0.355 497 F C -2.147 173.668 175.800 0.025 0.000 1.115 497 F CA -2.599 55.406 58.000 0.009 0.000 1.010 497 F CB 1.373 40.383 39.000 0.016 0.000 1.234 497 F HN -0.202 nan 8.300 nan 0.000 0.439 498 P HA 0.177 nan 4.420 nan 0.000 0.270 498 P C -2.449 174.925 177.300 0.124 0.000 1.223 498 P CA -0.955 62.204 63.100 0.098 0.000 0.785 498 P CB 0.139 31.871 31.700 0.054 0.000 0.923 499 P HA 0.075 nan 4.420 nan 0.000 0.271 499 P C -0.716 176.634 177.300 0.084 0.000 1.233 499 P CA -0.072 63.091 63.100 0.106 0.000 0.789 499 P CB 0.276 32.023 31.700 0.078 0.000 0.951 500 L N 1.864 123.138 121.223 0.086 0.000 2.352 500 L HA 0.160 4.459 4.340 -0.068 0.000 0.272 500 L C 0.926 177.801 176.870 0.010 0.000 1.109 500 L CA 0.559 55.398 54.840 -0.002 0.000 0.952 500 L CB -0.646 41.327 42.059 -0.143 0.000 1.314 500 L HN 0.310 nan 8.230 nan 0.000 0.427 501 E N 1.093 121.301 120.200 0.014 0.000 2.299 501 E HA 0.032 4.341 4.350 -0.068 0.000 0.193 501 E C 0.209 176.819 176.600 0.017 0.000 0.998 501 E CA 0.410 56.821 56.400 0.020 0.000 0.851 501 E CB 0.369 30.081 29.700 0.020 0.000 0.795 501 E HN 0.557 nan 8.360 nan 0.000 0.492 502 T N 0.441 114.994 114.554 -0.002 0.000 2.932 502 T HA 0.102 4.411 4.350 -0.068 0.000 0.318 502 T C -1.814 172.862 174.700 -0.041 0.000 1.265 502 T CA -0.974 61.123 62.100 -0.005 0.000 1.036 502 T CB 1.411 70.278 68.868 -0.001 0.000 1.209 502 T HN -0.215 nan 8.240 nan 0.000 0.484 503 D N 3.053 123.425 120.400 -0.047 0.000 2.525 503 D HA 0.300 4.899 4.640 -0.068 0.000 0.235 503 D C 0.614 176.871 176.300 -0.073 0.000 1.137 503 D CA 0.722 54.672 54.000 -0.082 0.000 0.868 503 D CB 0.337 41.095 40.800 -0.069 0.000 1.180 503 D HN 0.687 nan 8.370 nan 0.000 0.465 504 R N 0.435 120.880 120.500 -0.093 0.000 2.692 504 R HA 0.604 4.903 4.340 -0.068 0.000 0.269 504 R C -3.160 173.102 176.300 -0.063 0.000 1.030 504 R CA -1.730 54.333 56.100 -0.062 0.000 0.882 504 R CB 0.333 30.605 30.300 -0.045 0.000 1.250 504 R HN -0.004 nan 8.270 nan 0.000 0.465 505 P HA 0.098 nan 4.420 nan 0.000 0.264 505 P C -0.295 176.996 177.300 -0.015 0.000 1.193 505 P CA -0.148 62.936 63.100 -0.026 0.000 0.763 505 P CB 0.548 32.240 31.700 -0.013 0.000 0.810 506 L N 1.716 122.933 121.223 -0.011 0.000 2.731 506 L HA 0.180 4.479 4.340 -0.068 0.000 0.240 506 L C 2.271 179.159 176.870 0.030 0.000 1.120 506 L CA 0.337 55.185 54.840 0.014 0.000 0.913 506 L CB -0.229 41.837 42.059 0.012 0.000 1.213 506 L HN 0.528 nan 8.230 nan 0.000 0.515 507 G N 0.226 109.038 108.800 0.019 0.000 2.491 507 G HA2 -0.298 3.621 3.960 -0.068 0.000 0.218 507 G HA3 -0.298 3.621 3.960 -0.068 0.000 0.218 507 G C 1.385 176.303 174.900 0.029 0.000 1.180 507 G CA 0.703 45.816 45.100 0.021 0.000 0.774 507 G HN 0.371 nan 8.290 nan 0.000 0.562 508 Q N -0.094 119.728 119.800 0.037 0.000 2.124 508 Q HA -0.080 4.219 4.340 -0.068 0.000 0.202 508 Q C 2.509 178.561 176.000 0.088 0.000 0.977 508 Q CA 1.281 57.114 55.803 0.049 0.000 0.850 508 Q CB -0.106 28.656 28.738 0.041 0.000 0.901 508 Q HN 0.628 nan 8.270 nan 0.000 0.429 509 E N 0.548 120.818 120.200 0.117 0.000 2.106 509 E HA -0.129 4.180 4.350 -0.068 0.000 0.192 509 E C 1.947 178.587 176.600 0.066 0.000 0.984 509 E CA 0.663 57.198 56.400 0.225 0.000 0.806 509 E CB 0.006 29.861 29.700 0.258 0.000 0.750 509 E HN 0.336 nan 8.360 nan 0.000 0.458 510 I N 1.082 121.652 120.570 0.001 0.000 2.226 510 I HA -0.270 3.859 4.170 -0.068 0.000 0.245 510 I C 2.520 178.611 176.117 -0.042 0.000 1.100 510 I CA 0.971 62.235 61.300 -0.059 0.000 1.374 510 I CB -0.264 37.723 38.000 -0.022 0.000 1.057 510 I HN 0.092 nan 8.210 nan 0.000 0.413 511 A N 0.675 123.498 122.820 0.005 0.000 1.898 511 A HA -0.139 4.141 4.320 -0.068 0.000 0.216 511 A C 2.540 180.142 177.584 0.031 0.000 1.181 511 A CA 1.789 53.833 52.037 0.013 0.000 0.620 511 A CB -0.835 18.179 19.000 0.024 0.000 0.819 511 A HN 0.423 nan 8.150 nan 0.000 0.442 512 A N -0.547 122.321 122.820 0.080 0.000 1.877 512 A HA -0.040 4.239 4.320 -0.068 0.000 0.216 512 A C 2.127 179.805 177.584 0.156 0.000 1.186 512 A CA 1.762 53.878 52.037 0.132 0.000 0.620 512 A CB -0.628 18.493 19.000 0.201 0.000 0.822 512 A HN 0.669 nan 8.150 nan 0.000 0.443 513 L N -0.257 121.031 121.223 0.109 0.000 2.093 513 L HA -0.017 4.282 4.340 -0.068 0.000 0.208 513 L C 2.646 179.449 176.870 -0.111 0.000 1.085 513 L CA 2.011 56.826 54.840 -0.043 0.000 0.755 513 L CB -0.850 40.916 42.059 -0.487 0.000 0.904 513 L HN 0.351 nan 8.230 nan 0.000 0.435 514 A N -1.508 121.240 122.820 -0.119 0.000 1.908 514 A HA -0.228 4.051 4.320 -0.068 0.000 0.218 514 A C 2.267 179.795 177.584 -0.093 0.000 1.181 514 A CA 2.360 54.313 52.037 -0.140 0.000 0.627 514 A CB -1.245 17.703 19.000 -0.087 0.000 0.818 514 A HN 0.494 nan 8.150 nan 0.000 0.445 515 T N -1.405 113.138 114.554 -0.018 0.000 2.759 515 T HA -0.172 4.137 4.350 -0.068 0.000 0.269 515 T C 1.844 176.555 174.700 0.020 0.000 1.042 515 T CA 1.939 64.047 62.100 0.013 0.000 1.140 515 T CB -0.381 68.513 68.868 0.043 0.000 0.864 515 T HN 0.811 nan 8.240 nan 0.000 0.455 516 H N 0.998 120.029 119.070 -0.064 0.000 2.363 516 H HA 0.155 4.670 4.556 -0.069 0.000 0.301 516 H C 1.985 177.242 175.328 -0.119 0.000 1.074 516 H CA 1.089 57.104 56.048 -0.056 0.000 1.354 516 H CB -0.468 29.287 29.762 -0.012 0.000 1.397 516 H HN 0.237 nan 8.280 nan 0.000 0.516 517 L N 0.027 121.048 121.223 -0.337 0.000 2.127 517 L HA -0.160 4.139 4.340 -0.068 0.000 0.211 517 L C 2.222 178.929 176.870 -0.271 0.000 1.089 517 L CA 0.921 55.424 54.840 -0.562 0.000 0.757 517 L CB -0.438 41.117 42.059 -0.840 0.000 0.899 517 L HN 0.341 nan 8.230 nan 0.000 0.434 518 L N -0.805 120.303 121.223 -0.191 0.000 2.291 518 L HA -0.152 4.147 4.340 -0.068 0.000 0.214 518 L C 2.130 178.962 176.870 -0.064 0.000 1.120 518 L CA 0.998 55.792 54.840 -0.077 0.000 0.799 518 L CB -0.163 41.885 42.059 -0.017 0.000 0.925 518 L HN 0.370 nan 8.230 nan 0.000 0.446 519 Q N -1.571 118.104 119.800 -0.208 0.000 2.280 519 Q HA 0.204 4.503 4.340 -0.068 0.000 0.228 519 Q C -0.066 175.497 176.000 -0.729 0.000 0.857 519 Q CA 0.034 55.676 55.803 -0.269 0.000 0.939 519 Q CB 1.076 29.782 28.738 -0.054 0.000 1.114 519 Q HN 0.420 nan 8.270 nan 0.000 0.514 520 Q N -0.087 119.246 119.800 -0.779 0.000 2.379 520 Q HA 0.473 4.772 4.340 -0.068 0.000 0.278 520 Q C -1.277 174.611 176.000 -0.185 0.000 1.068 520 Q CA -0.415 55.020 55.803 -0.614 0.000 0.816 520 Q CB 2.706 31.205 28.738 -0.398 0.000 1.387 520 Q HN -0.052 nan 8.270 nan 0.000 0.413 521 S N 2.108 117.780 115.700 -0.047 0.000 2.651 521 S HA 0.536 4.965 4.470 -0.068 0.000 0.291 521 S C -2.418 171.962 174.600 -0.367 0.000 1.141 521 S CA -1.175 56.935 58.200 -0.150 0.000 1.027 521 S CB 0.971 64.139 63.200 -0.054 0.000 1.043 521 S HN 0.412 nan 8.310 nan 0.000 0.530 522 P HA 0.224 nan 4.420 nan 0.000 0.273 522 P C -0.671 176.425 177.300 -0.340 0.000 1.319 522 P CA -0.044 62.623 63.100 -0.723 0.000 0.885 522 P CB -0.104 30.879 31.700 -1.195 0.000 1.015 523 V N 0.000 119.815 119.914 -0.165 0.000 2.409 523 V HA 0.000 4.079 4.120 -0.068 0.000 0.244 523 V CA 0.000 62.242 62.300 -0.096 0.000 1.235 523 V CB 0.000 31.779 31.823 -0.073 0.000 1.184 523 V HN 0.000 nan 8.190 nan 0.000 0.556